USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 53 TYR OH : rot -135:sc= -3.21! USER MOD Set 1.2: A 81 HIS : no HE2:sc= -6.97! C(o=-23!,f=-25!) USER MOD Set 1.3: A 88 HIS :FLIP no HD1:sc= -13.1! C(o=-29!,f=-23!) USER MOD Set 2.1: A 43 SER OG : rot 134:sc= -3.47! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -11.2! C(o=-15!,f=-22!) USER MOD Single : A 1 SER N :NH3+ -156:sc= -0.221 (180deg=-0.583) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.16 K(o=-2.2,f=-4.7!) USER MOD Single : A 23 ASN : amide:sc= -7.11! C(o=-7.1!,f=-16!) USER MOD Single : A 25 THR OG1 : rot 21:sc= 0.379 USER MOD Single : A 33 SER OG : rot 140:sc= -0.189 USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.0598) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 3:sc= 0.765 USER MOD Single : A 48 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : +bothHN:sc= -3.29 K(o=-3.3,f=-9.2!) USER MOD Single : A 66 ASN : amide:sc= -0.0692 X(o=-0.069,f=-0.018) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 73 SER OG : rot 180:sc= -0.103 USER MOD Single : A 79 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.9!) USER MOD Single : A 80 TYR OH : rot 130:sc= -1.82 USER MOD Single : A 84 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.96!) USER MOD Single : A 85 SER OG : rot 170:sc= 0 USER MOD Single : A 87 SER OG : rot -53:sc= 1.15 USER MOD Single : A 96 CYS SG : rot 17:sc= -4.42 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.774 7.491 4.581 1.00 0.00 N ATOM 2 CA SER A 1 10.615 6.366 5.066 1.00 0.00 C ATOM 3 C SER A 1 10.128 5.032 4.509 1.00 0.00 C ATOM 4 O SER A 1 10.746 4.463 3.609 1.00 0.00 O ATOM 5 CB SER A 1 10.570 6.349 6.596 1.00 0.00 C ATOM 6 OG SER A 1 11.363 7.389 7.142 1.00 0.00 O ATOM 0 H1 SER A 1 10.322 8.374 4.617 1.00 0.00 H new ATOM 0 H2 SER A 1 9.479 7.306 3.601 1.00 0.00 H new ATOM 0 H3 SER A 1 8.932 7.581 5.185 1.00 0.00 H new ATOM 0 HA SER A 1 11.639 6.510 4.721 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.539 6.458 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.925 5.386 6.963 1.00 0.00 H new ATOM 0 HG SER A 1 11.316 7.357 8.120 1.00 0.00 H new ATOM 14 N GLU A 2 9.018 4.539 5.049 1.00 0.00 N ATOM 15 CA GLU A 2 8.448 3.272 4.605 1.00 0.00 C ATOM 16 C GLU A 2 6.996 3.139 5.064 1.00 0.00 C ATOM 17 O GLU A 2 6.674 3.447 6.210 1.00 0.00 O ATOM 18 CB GLU A 2 9.273 2.102 5.144 1.00 0.00 C ATOM 19 CG GLU A 2 9.552 2.194 6.635 1.00 0.00 C ATOM 20 CD GLU A 2 9.892 0.850 7.250 1.00 0.00 C ATOM 21 OE1 GLU A 2 9.194 -0.138 6.937 1.00 0.00 O ATOM 22 OE2 GLU A 2 10.853 0.786 8.043 1.00 0.00 O ATOM 0 H GLU A 2 8.495 4.998 5.795 1.00 0.00 H new ATOM 0 HA GLU A 2 8.470 3.253 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.746 1.170 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.221 2.058 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.377 2.886 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.679 2.609 7.139 1.00 0.00 H new ATOM 29 N PRO A 3 6.096 2.673 4.176 1.00 0.00 N ATOM 30 CA PRO A 3 4.677 2.499 4.494 1.00 0.00 C ATOM 31 C PRO A 3 4.457 1.867 5.864 1.00 0.00 C ATOM 32 O PRO A 3 5.344 1.209 6.407 1.00 0.00 O ATOM 33 CB PRO A 3 4.160 1.562 3.390 1.00 0.00 C ATOM 34 CG PRO A 3 5.340 1.227 2.535 1.00 0.00 C ATOM 35 CD PRO A 3 6.381 2.276 2.796 1.00 0.00 C ATOM 0 HA PRO A 3 4.160 3.458 4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.723 0.660 3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.380 2.047 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.722 0.235 2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.062 1.213 1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.391 1.880 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.292 3.115 2.106 1.00 0.00 H new ATOM 43 N TRP A 4 3.263 2.067 6.415 1.00 0.00 N ATOM 44 CA TRP A 4 2.920 1.512 7.718 1.00 0.00 C ATOM 45 C TRP A 4 1.976 0.325 7.563 1.00 0.00 C ATOM 46 O TRP A 4 0.816 0.487 7.183 1.00 0.00 O ATOM 47 CB TRP A 4 2.279 2.585 8.602 1.00 0.00 C ATOM 48 CG TRP A 4 2.980 2.771 9.912 1.00 0.00 C ATOM 49 CD1 TRP A 4 2.399 2.960 11.134 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.395 2.784 10.135 1.00 0.00 C ATOM 51 NE1 TRP A 4 3.367 3.090 12.101 1.00 0.00 N ATOM 52 CE2 TRP A 4 4.600 2.986 11.512 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.510 2.643 9.301 1.00 0.00 C ATOM 54 CZ2 TRP A 4 5.873 3.051 12.074 1.00 0.00 C ATOM 55 CZ3 TRP A 4 6.772 2.709 9.861 1.00 0.00 C ATOM 56 CH2 TRP A 4 6.945 2.911 11.236 1.00 0.00 C ATOM 0 H TRP A 4 2.518 2.609 5.978 1.00 0.00 H new ATOM 0 HA TRP A 4 3.836 1.166 8.196 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.273 3.533 8.064 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.239 2.318 8.789 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.335 3.001 11.314 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.196 3.240 13.095 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.387 2.486 8.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.009 3.206 13.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.640 2.603 9.227 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.944 2.957 11.643 1.00 0.00 H new ATOM 67 N PHE A 5 2.482 -0.867 7.856 1.00 0.00 N ATOM 68 CA PHE A 5 1.683 -2.081 7.746 1.00 0.00 C ATOM 69 C PHE A 5 0.662 -2.166 8.874 1.00 0.00 C ATOM 70 O PHE A 5 1.016 -2.112 10.052 1.00 0.00 O ATOM 71 CB PHE A 5 2.584 -3.317 7.763 1.00 0.00 C ATOM 72 CG PHE A 5 3.621 -3.290 8.850 1.00 0.00 C ATOM 73 CD1 PHE A 5 3.290 -3.641 10.150 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.925 -2.916 8.573 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.241 -3.617 11.152 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.881 -2.891 9.570 1.00 0.00 C ATOM 77 CZ PHE A 5 5.539 -3.242 10.862 1.00 0.00 C ATOM 0 H PHE A 5 3.440 -1.019 8.171 1.00 0.00 H new ATOM 0 HA PHE A 5 1.147 -2.046 6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.965 -4.206 7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.083 -3.406 6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.277 -3.936 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.198 -2.640 7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.970 -3.891 12.161 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.895 -2.597 9.340 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.284 -3.223 11.643 1.00 0.00 H new ATOM 87 N PHE A 6 -0.607 -2.302 8.506 1.00 0.00 N ATOM 88 CA PHE A 6 -1.682 -2.400 9.484 1.00 0.00 C ATOM 89 C PHE A 6 -2.730 -3.401 9.016 1.00 0.00 C ATOM 90 O PHE A 6 -3.536 -3.101 8.138 1.00 0.00 O ATOM 91 CB PHE A 6 -2.323 -1.028 9.707 1.00 0.00 C ATOM 92 CG PHE A 6 -2.407 -0.634 11.154 1.00 0.00 C ATOM 93 CD1 PHE A 6 -3.215 -1.339 12.032 1.00 0.00 C ATOM 94 CD2 PHE A 6 -1.679 0.441 11.637 1.00 0.00 C ATOM 95 CE1 PHE A 6 -3.295 -0.979 13.364 1.00 0.00 C ATOM 96 CE2 PHE A 6 -1.754 0.806 12.967 1.00 0.00 C ATOM 97 CZ PHE A 6 -2.564 0.095 13.832 1.00 0.00 C ATOM 0 H PHE A 6 -0.916 -2.347 7.535 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.264 -2.747 10.429 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.749 -0.275 9.166 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.326 -1.031 9.281 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.789 -2.180 11.671 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.045 1.001 10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.928 -1.537 14.038 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.180 1.646 13.330 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.625 0.379 14.872 1.00 0.00 H new ATOM 107 N GLY A 7 -2.717 -4.590 9.606 1.00 0.00 N ATOM 108 CA GLY A 7 -3.669 -5.612 9.228 1.00 0.00 C ATOM 109 C GLY A 7 -4.982 -5.484 9.965 1.00 0.00 C ATOM 110 O GLY A 7 -5.776 -6.424 9.993 1.00 0.00 O ATOM 0 H GLY A 7 -2.063 -4.863 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.852 -5.554 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.240 -6.594 9.426 1.00 0.00 H new ATOM 114 N CYS A 8 -5.217 -4.324 10.572 1.00 0.00 N ATOM 115 CA CYS A 8 -6.446 -4.104 11.311 1.00 0.00 C ATOM 116 C CYS A 8 -7.166 -2.830 10.864 1.00 0.00 C ATOM 117 O CYS A 8 -8.267 -2.542 11.332 1.00 0.00 O ATOM 118 CB CYS A 8 -6.159 -4.041 12.812 1.00 0.00 C ATOM 119 SG CYS A 8 -7.488 -4.700 13.847 1.00 0.00 S ATOM 0 H CYS A 8 -4.576 -3.531 10.565 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.104 -4.947 11.101 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.243 -4.595 13.019 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.975 -3.004 13.093 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.151 -4.605 15.099 1.00 0.00 H new ATOM 125 N ILE A 9 -6.550 -2.071 9.961 1.00 0.00 N ATOM 126 CA ILE A 9 -7.156 -0.838 9.470 1.00 0.00 C ATOM 127 C ILE A 9 -8.225 -1.130 8.425 1.00 0.00 C ATOM 128 O ILE A 9 -8.059 -2.011 7.581 1.00 0.00 O ATOM 129 CB ILE A 9 -6.109 0.112 8.854 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.402 -0.562 7.679 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.098 0.555 9.902 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.473 0.362 6.931 1.00 0.00 C ATOM 0 H ILE A 9 -5.638 -2.286 9.557 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.609 -0.352 10.334 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.627 0.997 8.485 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.834 -1.416 8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.150 -0.951 6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.369 1.224 9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.614 1.077 10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.585 -0.318 10.305 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.004 -0.180 6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.040 1.204 6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.703 0.731 7.609 1.00 0.00 H new ATOM 144 N SER A 10 -9.320 -0.381 8.482 1.00 0.00 N ATOM 145 CA SER A 10 -10.414 -0.555 7.535 1.00 0.00 C ATOM 146 C SER A 10 -10.226 0.356 6.326 1.00 0.00 C ATOM 147 O SER A 10 -9.445 1.306 6.371 1.00 0.00 O ATOM 148 CB SER A 10 -11.755 -0.257 8.209 1.00 0.00 C ATOM 149 OG SER A 10 -12.786 -1.070 7.676 1.00 0.00 O ATOM 0 H SER A 10 -9.474 0.352 9.174 1.00 0.00 H new ATOM 0 HA SER A 10 -10.411 -1.591 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.672 -0.427 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.009 0.794 8.072 1.00 0.00 H new ATOM 0 HG SER A 10 -13.632 -0.861 8.125 1.00 0.00 H new ATOM 155 N ARG A 11 -10.945 0.063 5.248 1.00 0.00 N ATOM 156 CA ARG A 11 -10.849 0.863 4.032 1.00 0.00 C ATOM 157 C ARG A 11 -11.282 2.302 4.286 1.00 0.00 C ATOM 158 O ARG A 11 -10.954 3.205 3.517 1.00 0.00 O ATOM 159 CB ARG A 11 -11.701 0.248 2.918 1.00 0.00 C ATOM 160 CG ARG A 11 -11.238 0.625 1.519 1.00 0.00 C ATOM 161 CD ARG A 11 -11.438 -0.519 0.537 1.00 0.00 C ATOM 162 NE ARG A 11 -12.548 -0.268 -0.378 1.00 0.00 N ATOM 163 CZ ARG A 11 -12.714 -0.906 -1.535 1.00 0.00 C ATOM 164 NH1 ARG A 11 -11.847 -1.834 -1.920 1.00 0.00 N ATOM 165 NH2 ARG A 11 -13.750 -0.616 -2.309 1.00 0.00 N ATOM 0 H ARG A 11 -11.598 -0.719 5.191 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.805 0.870 3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.685 -0.837 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.736 0.565 3.047 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.789 1.501 1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.184 0.902 1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.523 -0.669 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.624 -1.441 1.088 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.237 0.437 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.048 -2.062 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.980 -2.319 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.420 0.096 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.877 -1.105 -3.195 1.00 0.00 H new ATOM 179 N SER A 12 -12.017 2.505 5.367 1.00 0.00 N ATOM 180 CA SER A 12 -12.500 3.832 5.728 1.00 0.00 C ATOM 181 C SER A 12 -11.364 4.708 6.248 1.00 0.00 C ATOM 182 O SER A 12 -11.268 5.886 5.901 1.00 0.00 O ATOM 183 CB SER A 12 -13.600 3.726 6.786 1.00 0.00 C ATOM 184 OG SER A 12 -14.788 3.188 6.234 1.00 0.00 O ATOM 0 H SER A 12 -12.294 1.766 6.013 1.00 0.00 H new ATOM 0 HA SER A 12 -12.908 4.296 4.830 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.259 3.096 7.608 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.803 4.712 7.204 1.00 0.00 H new ATOM 0 HG SER A 12 -15.475 3.129 6.931 1.00 0.00 H new ATOM 190 N GLU A 13 -10.507 4.128 7.083 1.00 0.00 N ATOM 191 CA GLU A 13 -9.383 4.864 7.649 1.00 0.00 C ATOM 192 C GLU A 13 -8.291 5.089 6.615 1.00 0.00 C ATOM 193 O GLU A 13 -7.735 6.176 6.524 1.00 0.00 O ATOM 194 CB GLU A 13 -8.794 4.123 8.849 1.00 0.00 C ATOM 195 CG GLU A 13 -9.839 3.467 9.739 1.00 0.00 C ATOM 196 CD GLU A 13 -9.465 3.512 11.207 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.407 2.954 11.568 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.228 4.106 11.997 1.00 0.00 O ATOM 0 H GLU A 13 -10.569 3.155 7.381 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.765 5.832 7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.105 3.359 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.210 4.824 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.797 3.966 9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.972 2.429 9.433 1.00 0.00 H new ATOM 205 N ALA A 14 -7.977 4.056 5.843 1.00 0.00 N ATOM 206 CA ALA A 14 -6.938 4.153 4.828 1.00 0.00 C ATOM 207 C ALA A 14 -7.243 5.258 3.823 1.00 0.00 C ATOM 208 O ALA A 14 -6.334 5.897 3.296 1.00 0.00 O ATOM 209 CB ALA A 14 -6.765 2.817 4.122 1.00 0.00 C ATOM 0 H ALA A 14 -8.427 3.143 5.901 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.003 4.410 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.985 2.904 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.483 2.055 4.849 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.703 2.533 3.645 1.00 0.00 H new ATOM 215 N VAL A 15 -8.524 5.485 3.559 1.00 0.00 N ATOM 216 CA VAL A 15 -8.924 6.523 2.617 1.00 0.00 C ATOM 217 C VAL A 15 -8.692 7.912 3.208 1.00 0.00 C ATOM 218 O VAL A 15 -8.184 8.804 2.533 1.00 0.00 O ATOM 219 CB VAL A 15 -10.403 6.382 2.204 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.812 7.502 1.257 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.654 5.024 1.567 1.00 0.00 C ATOM 0 H VAL A 15 -9.297 4.970 3.979 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.305 6.400 1.728 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.014 6.459 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.859 7.380 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.677 8.464 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.193 7.465 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.703 4.944 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.029 4.917 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.410 4.237 2.281 1.00 0.00 H new ATOM 231 N ARG A 16 -9.060 8.090 4.472 1.00 0.00 N ATOM 232 CA ARG A 16 -8.878 9.375 5.142 1.00 0.00 C ATOM 233 C ARG A 16 -7.475 9.489 5.731 1.00 0.00 C ATOM 234 O ARG A 16 -7.016 10.580 6.070 1.00 0.00 O ATOM 235 CB ARG A 16 -9.925 9.557 6.242 1.00 0.00 C ATOM 236 CG ARG A 16 -10.024 10.986 6.756 1.00 0.00 C ATOM 237 CD ARG A 16 -9.731 11.069 8.246 1.00 0.00 C ATOM 238 NE ARG A 16 -8.934 12.245 8.583 1.00 0.00 N ATOM 239 CZ ARG A 16 -8.365 12.441 9.771 1.00 0.00 C ATOM 240 NH1 ARG A 16 -8.505 11.542 10.738 1.00 0.00 N ATOM 241 NH2 ARG A 16 -7.655 13.539 9.993 1.00 0.00 N ATOM 0 H ARG A 16 -9.484 7.366 5.052 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.005 10.163 4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.898 9.248 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.684 8.896 7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.323 11.618 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.023 11.375 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.670 11.097 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.202 10.170 8.562 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.805 12.959 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.051 10.696 10.573 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.067 11.697 11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.545 14.233 9.254 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.219 13.689 10.903 1.00 0.00 H new ATOM 255 N ARG A 17 -6.802 8.354 5.844 1.00 0.00 N ATOM 256 CA ARG A 17 -5.452 8.304 6.386 1.00 0.00 C ATOM 257 C ARG A 17 -4.435 8.685 5.313 1.00 0.00 C ATOM 258 O ARG A 17 -3.548 9.501 5.548 1.00 0.00 O ATOM 259 CB ARG A 17 -5.157 6.905 6.940 1.00 0.00 C ATOM 260 CG ARG A 17 -3.780 6.773 7.569 1.00 0.00 C ATOM 261 CD ARG A 17 -3.704 5.567 8.492 1.00 0.00 C ATOM 262 NE ARG A 17 -2.588 5.665 9.431 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.086 4.627 10.095 1.00 0.00 C ATOM 264 NH1 ARG A 17 -2.594 3.412 9.927 1.00 0.00 N ATOM 265 NH2 ARG A 17 -1.070 4.803 10.930 1.00 0.00 N ATOM 0 H ARG A 17 -7.173 7.446 5.564 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.373 9.022 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.912 6.652 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.249 6.178 6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.028 6.681 6.785 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.547 7.678 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.638 5.476 9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.598 4.661 7.896 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.170 6.582 9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.374 3.270 9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.204 2.621 10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.674 5.734 11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.685 4.008 11.439 1.00 0.00 H new ATOM 279 N LEU A 18 -4.587 8.097 4.130 1.00 0.00 N ATOM 280 CA LEU A 18 -3.699 8.380 3.006 1.00 0.00 C ATOM 281 C LEU A 18 -3.878 9.810 2.529 1.00 0.00 C ATOM 282 O LEU A 18 -2.918 10.496 2.179 1.00 0.00 O ATOM 283 CB LEU A 18 -3.988 7.412 1.866 1.00 0.00 C ATOM 284 CG LEU A 18 -3.144 6.149 1.893 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.676 6.498 1.734 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.370 5.392 3.189 1.00 0.00 C ATOM 0 H LEU A 18 -5.320 7.418 3.924 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.668 8.253 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.041 7.133 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.824 7.925 0.918 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.443 5.510 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.081 5.585 1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.524 7.009 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.367 7.151 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.759 4.489 3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.092 6.024 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.422 5.119 3.272 1.00 0.00 H new ATOM 298 N GLN A 19 -5.124 10.238 2.516 1.00 0.00 N ATOM 299 CA GLN A 19 -5.482 11.585 2.078 1.00 0.00 C ATOM 300 C GLN A 19 -5.193 12.633 3.153 1.00 0.00 C ATOM 301 O GLN A 19 -5.125 13.826 2.854 1.00 0.00 O ATOM 302 CB GLN A 19 -6.960 11.642 1.685 1.00 0.00 C ATOM 303 CG GLN A 19 -7.185 11.844 0.198 1.00 0.00 C ATOM 304 CD GLN A 19 -7.120 13.303 -0.209 1.00 0.00 C ATOM 305 OE1 GLN A 19 -6.296 14.064 0.299 1.00 0.00 O ATOM 306 NE2 GLN A 19 -7.992 13.701 -1.129 1.00 0.00 N ATOM 0 H GLN A 19 -5.919 9.669 2.806 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.864 11.817 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.446 10.717 1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.442 12.454 2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.435 11.282 -0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.158 11.437 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.657 13.036 -1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.996 14.672 -1.441 1.00 0.00 H new ATOM 315 N ALA A 20 -5.026 12.195 4.402 1.00 0.00 N ATOM 316 CA ALA A 20 -4.744 13.117 5.504 1.00 0.00 C ATOM 317 C ALA A 20 -3.660 14.120 5.114 1.00 0.00 C ATOM 318 O ALA A 20 -3.007 13.962 4.083 1.00 0.00 O ATOM 319 CB ALA A 20 -4.328 12.343 6.746 1.00 0.00 C ATOM 0 H ALA A 20 -5.081 11.214 4.675 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.655 13.672 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.121 13.041 7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.133 11.670 7.042 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.431 11.762 6.530 1.00 0.00 H new ATOM 325 N GLU A 21 -3.464 15.151 5.935 1.00 0.00 N ATOM 326 CA GLU A 21 -2.449 16.158 5.634 1.00 0.00 C ATOM 327 C GLU A 21 -1.075 15.738 6.126 1.00 0.00 C ATOM 328 O GLU A 21 -0.116 16.509 6.092 1.00 0.00 O ATOM 329 CB GLU A 21 -2.835 17.522 6.208 1.00 0.00 C ATOM 330 CG GLU A 21 -4.307 17.861 6.034 1.00 0.00 C ATOM 331 CD GLU A 21 -4.701 19.133 6.758 1.00 0.00 C ATOM 332 OE1 GLU A 21 -4.024 20.164 6.559 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.687 19.099 7.525 1.00 0.00 O ATOM 0 H GLU A 21 -3.984 15.309 6.798 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.398 16.247 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.589 17.543 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.234 18.293 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.528 17.968 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.913 17.034 6.404 1.00 0.00 H new ATOM 340 N GLY A 22 -0.996 14.498 6.534 1.00 0.00 N ATOM 341 CA GLY A 22 0.252 13.924 6.988 1.00 0.00 C ATOM 342 C GLY A 22 0.937 13.145 5.880 1.00 0.00 C ATOM 343 O GLY A 22 2.067 12.682 6.036 1.00 0.00 O ATOM 0 H GLY A 22 -1.789 13.857 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.912 14.717 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.064 13.265 7.836 1.00 0.00 H new ATOM 347 N ASN A 23 0.229 12.988 4.762 1.00 0.00 N ATOM 348 CA ASN A 23 0.736 12.248 3.615 1.00 0.00 C ATOM 349 C ASN A 23 1.161 13.192 2.500 1.00 0.00 C ATOM 350 O ASN A 23 0.335 13.895 1.918 1.00 0.00 O ATOM 351 CB ASN A 23 -0.341 11.293 3.099 1.00 0.00 C ATOM 352 CG ASN A 23 -0.771 10.283 4.148 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.534 9.085 4.007 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.414 10.764 5.206 1.00 0.00 N ATOM 0 H ASN A 23 -0.708 13.370 4.629 1.00 0.00 H new ATOM 0 HA ASN A 23 1.609 11.679 3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.208 11.869 2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.035 10.765 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.732 10.132 5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.590 11.766 5.284 1.00 0.00 H new ATOM 361 N ALA A 24 2.454 13.200 2.202 1.00 0.00 N ATOM 362 CA ALA A 24 2.982 14.054 1.152 1.00 0.00 C ATOM 363 C ALA A 24 3.203 13.261 -0.127 1.00 0.00 C ATOM 364 O ALA A 24 4.335 13.088 -0.576 1.00 0.00 O ATOM 365 CB ALA A 24 4.273 14.716 1.601 1.00 0.00 C ATOM 0 H ALA A 24 3.153 12.625 2.673 1.00 0.00 H new ATOM 0 HA ALA A 24 2.249 14.834 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.653 15.352 0.801 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.082 15.322 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.011 13.950 1.838 1.00 0.00 H new ATOM 371 N THR A 25 2.103 12.788 -0.706 1.00 0.00 N ATOM 372 CA THR A 25 2.134 12.008 -1.936 1.00 0.00 C ATOM 373 C THR A 25 3.080 10.816 -1.820 1.00 0.00 C ATOM 374 O THR A 25 4.193 10.930 -1.311 1.00 0.00 O ATOM 375 CB THR A 25 2.509 12.894 -3.121 1.00 0.00 C ATOM 376 OG1 THR A 25 3.716 13.594 -2.872 1.00 0.00 O ATOM 377 CG2 THR A 25 1.439 13.913 -3.443 1.00 0.00 C ATOM 0 H THR A 25 1.165 12.936 -0.334 1.00 0.00 H new ATOM 0 HA THR A 25 1.133 11.611 -2.107 1.00 0.00 H new ATOM 0 HB THR A 25 2.626 12.220 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.220 13.136 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.756 14.517 -4.293 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.510 13.399 -3.689 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.279 14.558 -2.579 1.00 0.00 H new ATOM 385 N GLY A 26 2.610 9.660 -2.272 1.00 0.00 N ATOM 386 CA GLY A 26 3.405 8.450 -2.185 1.00 0.00 C ATOM 387 C GLY A 26 3.150 7.715 -0.889 1.00 0.00 C ATOM 388 O GLY A 26 3.417 6.518 -0.786 1.00 0.00 O ATOM 0 H GLY A 26 1.691 9.539 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.172 7.798 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.463 8.702 -2.260 1.00 0.00 H new ATOM 392 N ALA A 27 2.607 8.430 0.101 1.00 0.00 N ATOM 393 CA ALA A 27 2.288 7.830 1.386 1.00 0.00 C ATOM 394 C ALA A 27 1.546 6.523 1.154 1.00 0.00 C ATOM 395 O ALA A 27 0.583 6.488 0.398 1.00 0.00 O ATOM 396 CB ALA A 27 1.462 8.794 2.223 1.00 0.00 C ATOM 0 H ALA A 27 2.382 9.422 0.031 1.00 0.00 H new ATOM 0 HA ALA A 27 3.205 7.618 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.229 8.334 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.029 9.711 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.536 9.029 1.699 1.00 0.00 H new ATOM 402 N PHE A 28 2.034 5.447 1.749 1.00 0.00 N ATOM 403 CA PHE A 28 1.446 4.127 1.546 1.00 0.00 C ATOM 404 C PHE A 28 1.334 3.344 2.861 1.00 0.00 C ATOM 405 O PHE A 28 1.971 3.681 3.859 1.00 0.00 O ATOM 406 CB PHE A 28 2.333 3.381 0.552 1.00 0.00 C ATOM 407 CG PHE A 28 1.656 2.948 -0.717 1.00 0.00 C ATOM 408 CD1 PHE A 28 0.377 2.446 -0.696 1.00 0.00 C ATOM 409 CD2 PHE A 28 2.324 3.010 -1.928 1.00 0.00 C ATOM 410 CE1 PHE A 28 -0.238 2.015 -1.857 1.00 0.00 C ATOM 411 CE2 PHE A 28 1.725 2.569 -3.091 1.00 0.00 C ATOM 412 CZ PHE A 28 0.439 2.071 -3.055 1.00 0.00 C ATOM 0 H PHE A 28 2.837 5.459 2.378 1.00 0.00 H new ATOM 0 HA PHE A 28 0.431 4.232 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.177 4.020 0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.741 2.499 1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.156 2.387 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.327 3.409 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.248 1.635 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.262 2.614 -4.027 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.035 1.727 -3.962 1.00 0.00 H new ATOM 422 N LEU A 29 0.511 2.298 2.838 1.00 0.00 N ATOM 423 CA LEU A 29 0.280 1.438 4.007 1.00 0.00 C ATOM 424 C LEU A 29 -0.189 0.046 3.589 1.00 0.00 C ATOM 425 O LEU A 29 -0.967 -0.097 2.653 1.00 0.00 O ATOM 426 CB LEU A 29 -0.780 2.048 4.921 1.00 0.00 C ATOM 427 CG LEU A 29 -2.053 2.577 4.231 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.261 1.998 2.838 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.259 2.258 5.077 1.00 0.00 C ATOM 0 H LEU A 29 -0.017 2.019 2.011 1.00 0.00 H new ATOM 0 HA LEU A 29 1.229 1.356 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.075 1.296 5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.324 2.869 5.474 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.925 3.654 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.173 2.409 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.411 2.256 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.348 0.913 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.157 2.633 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.339 1.178 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.154 2.731 6.053 1.00 0.00 H new ATOM 441 N ILE A 30 0.246 -0.987 4.289 1.00 0.00 N ATOM 442 CA ILE A 30 -0.186 -2.334 3.938 1.00 0.00 C ATOM 443 C ILE A 30 -1.103 -2.922 4.992 1.00 0.00 C ATOM 444 O ILE A 30 -0.716 -3.091 6.145 1.00 0.00 O ATOM 445 CB ILE A 30 0.987 -3.303 3.713 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.245 -2.558 3.217 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.549 -4.390 2.738 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.311 -2.350 1.718 1.00 0.00 C ATOM 0 H ILE A 30 0.882 -0.927 5.084 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.726 -2.222 2.998 1.00 0.00 H new ATOM 0 HB ILE A 30 1.260 -3.768 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.291 -1.585 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.128 -3.115 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.374 -5.083 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.301 -4.931 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.261 -3.934 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.229 -1.819 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.301 -3.317 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.451 -1.764 1.394 1.00 0.00 H new ATOM 460 N ARG A 31 -2.322 -3.248 4.583 1.00 0.00 N ATOM 461 CA ARG A 31 -3.298 -3.829 5.489 1.00 0.00 C ATOM 462 C ARG A 31 -3.734 -5.199 4.987 1.00 0.00 C ATOM 463 O ARG A 31 -3.299 -5.644 3.925 1.00 0.00 O ATOM 464 CB ARG A 31 -4.519 -2.920 5.608 1.00 0.00 C ATOM 465 CG ARG A 31 -5.319 -2.831 4.326 1.00 0.00 C ATOM 466 CD ARG A 31 -6.082 -1.521 4.227 1.00 0.00 C ATOM 467 NE ARG A 31 -6.389 -1.175 2.840 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.622 -1.026 2.360 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.680 -1.155 3.152 1.00 0.00 N ATOM 470 NH2 ARG A 31 -7.800 -0.744 1.077 1.00 0.00 N ATOM 0 H ARG A 31 -2.657 -3.119 3.628 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.834 -3.936 6.469 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.163 -3.289 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.194 -1.920 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.649 -2.927 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.020 -3.664 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.008 -1.596 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.494 -0.723 4.679 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.608 -1.039 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.554 -1.371 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.619 -1.038 2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.994 -0.642 0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.743 -0.629 0.706 1.00 0.00 H new ATOM 484 N VAL A 32 -4.603 -5.860 5.739 1.00 0.00 N ATOM 485 CA VAL A 32 -5.087 -7.172 5.340 1.00 0.00 C ATOM 486 C VAL A 32 -6.296 -7.057 4.420 1.00 0.00 C ATOM 487 O VAL A 32 -7.167 -6.210 4.620 1.00 0.00 O ATOM 488 CB VAL A 32 -5.448 -8.044 6.558 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.233 -8.245 7.452 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.601 -7.427 7.341 1.00 0.00 C ATOM 0 H VAL A 32 -4.983 -5.513 6.620 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.273 -7.655 4.800 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.770 -9.021 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.508 -8.863 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.443 -8.739 6.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.876 -7.277 7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.839 -8.059 8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.314 -6.436 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.476 -7.345 6.696 1.00 0.00 H new ATOM 500 N SER A 33 -6.330 -7.913 3.406 1.00 0.00 N ATOM 501 CA SER A 33 -7.418 -7.918 2.438 1.00 0.00 C ATOM 502 C SER A 33 -8.778 -8.026 3.121 1.00 0.00 C ATOM 503 O SER A 33 -9.264 -9.125 3.384 1.00 0.00 O ATOM 504 CB SER A 33 -7.236 -9.077 1.459 1.00 0.00 C ATOM 505 OG SER A 33 -6.473 -10.121 2.040 1.00 0.00 O ATOM 0 H SER A 33 -5.612 -8.616 3.233 1.00 0.00 H new ATOM 0 HA SER A 33 -7.389 -6.972 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.211 -9.459 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.741 -8.720 0.556 1.00 0.00 H new ATOM 0 HG SER A 33 -6.853 -10.987 1.781 1.00 0.00 H new ATOM 511 N GLU A 34 -9.394 -6.880 3.392 1.00 0.00 N ATOM 512 CA GLU A 34 -10.705 -6.855 4.029 1.00 0.00 C ATOM 513 C GLU A 34 -11.732 -7.581 3.169 1.00 0.00 C ATOM 514 O GLU A 34 -12.763 -8.042 3.659 1.00 0.00 O ATOM 515 CB GLU A 34 -11.152 -5.412 4.278 1.00 0.00 C ATOM 516 CG GLU A 34 -10.911 -4.488 3.095 1.00 0.00 C ATOM 517 CD GLU A 34 -12.074 -3.550 2.842 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.514 -2.879 3.800 1.00 0.00 O ATOM 519 OE2 GLU A 34 -12.544 -3.484 1.687 1.00 0.00 O ATOM 0 H GLU A 34 -9.008 -5.960 3.181 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.629 -7.368 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.214 -5.406 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.623 -5.021 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.009 -3.903 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.731 -5.086 2.202 1.00 0.00 H new ATOM 526 N LYS A 35 -11.429 -7.681 1.884 1.00 0.00 N ATOM 527 CA LYS A 35 -12.303 -8.355 0.929 1.00 0.00 C ATOM 528 C LYS A 35 -11.622 -9.599 0.354 1.00 0.00 C ATOM 529 O LYS A 35 -12.152 -10.705 0.461 1.00 0.00 O ATOM 530 CB LYS A 35 -12.721 -7.408 -0.208 1.00 0.00 C ATOM 531 CG LYS A 35 -12.330 -5.954 0.012 1.00 0.00 C ATOM 532 CD LYS A 35 -12.410 -5.154 -1.280 1.00 0.00 C ATOM 533 CE LYS A 35 -13.810 -5.185 -1.870 1.00 0.00 C ATOM 534 NZ LYS A 35 -13.923 -6.170 -2.980 1.00 0.00 N ATOM 0 H LYS A 35 -10.576 -7.301 1.473 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.201 -8.663 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.272 -7.756 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.802 -7.466 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.987 -5.508 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.316 -5.905 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.118 -4.122 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.701 -5.557 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.528 -5.435 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.071 -4.193 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.981 -5.665 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.088 -6.789 -2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.780 -6.745 -2.848 1.00 0.00 H new ATOM 548 N PRO A 36 -10.432 -9.443 -0.262 1.00 0.00 N ATOM 549 CA PRO A 36 -9.694 -10.572 -0.844 1.00 0.00 C ATOM 550 C PRO A 36 -9.367 -11.637 0.200 1.00 0.00 C ATOM 551 O PRO A 36 -9.724 -11.499 1.370 1.00 0.00 O ATOM 552 CB PRO A 36 -8.407 -9.930 -1.380 1.00 0.00 C ATOM 553 CG PRO A 36 -8.734 -8.487 -1.534 1.00 0.00 C ATOM 554 CD PRO A 36 -9.709 -8.170 -0.441 1.00 0.00 C ATOM 0 HA PRO A 36 -10.272 -11.086 -1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.576 -10.075 -0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.112 -10.372 -2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.838 -7.872 -1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.167 -8.287 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.203 -7.861 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.382 -7.360 -0.723 1.00 0.00 H new ATOM 562 N SER A 37 -8.693 -12.700 -0.228 1.00 0.00 N ATOM 563 CA SER A 37 -8.328 -13.786 0.678 1.00 0.00 C ATOM 564 C SER A 37 -6.839 -14.104 0.588 1.00 0.00 C ATOM 565 O SER A 37 -6.263 -14.132 -0.501 1.00 0.00 O ATOM 566 CB SER A 37 -9.147 -15.038 0.358 1.00 0.00 C ATOM 567 OG SER A 37 -9.524 -15.717 1.543 1.00 0.00 O ATOM 0 H SER A 37 -8.389 -12.833 -1.192 1.00 0.00 H new ATOM 0 HA SER A 37 -8.547 -13.462 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.038 -14.760 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.564 -15.705 -0.277 1.00 0.00 H new ATOM 0 HG SER A 37 -10.048 -16.512 1.312 1.00 0.00 H new ATOM 573 N ALA A 38 -6.220 -14.344 1.742 1.00 0.00 N ATOM 574 CA ALA A 38 -4.795 -14.663 1.800 1.00 0.00 C ATOM 575 C ALA A 38 -3.967 -13.641 1.028 1.00 0.00 C ATOM 576 O ALA A 38 -3.037 -13.997 0.306 1.00 0.00 O ATOM 577 CB ALA A 38 -4.548 -16.064 1.257 1.00 0.00 C ATOM 0 H ALA A 38 -6.683 -14.324 2.650 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.483 -14.626 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.483 -16.290 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.100 -16.789 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.884 -16.117 0.221 1.00 0.00 H new ATOM 583 N ASP A 39 -4.318 -12.368 1.184 1.00 0.00 N ATOM 584 CA ASP A 39 -3.615 -11.291 0.499 1.00 0.00 C ATOM 585 C ASP A 39 -3.504 -10.058 1.392 1.00 0.00 C ATOM 586 O ASP A 39 -3.878 -10.094 2.563 1.00 0.00 O ATOM 587 CB ASP A 39 -4.347 -10.935 -0.796 1.00 0.00 C ATOM 588 CG ASP A 39 -4.196 -12.004 -1.861 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.199 -12.753 -1.812 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.075 -12.090 -2.744 1.00 0.00 O ATOM 0 H ASP A 39 -5.086 -12.058 1.780 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.607 -11.633 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.405 -10.787 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.963 -9.989 -1.178 1.00 0.00 H new ATOM 595 N TYR A 40 -3.006 -8.963 0.823 1.00 0.00 N ATOM 596 CA TYR A 40 -2.867 -7.713 1.555 1.00 0.00 C ATOM 597 C TYR A 40 -3.199 -6.575 0.635 1.00 0.00 C ATOM 598 O TYR A 40 -2.853 -6.603 -0.537 1.00 0.00 O ATOM 599 CB TYR A 40 -1.442 -7.545 2.118 1.00 0.00 C ATOM 600 CG TYR A 40 -1.344 -7.847 3.598 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.568 -9.130 4.076 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.024 -6.851 4.515 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.479 -9.417 5.424 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.932 -7.130 5.866 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.160 -8.414 6.315 1.00 0.00 C ATOM 606 OH TYR A 40 -1.069 -8.695 7.659 1.00 0.00 O ATOM 0 H TYR A 40 -2.692 -8.919 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.553 -7.722 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.764 -8.203 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.106 -6.523 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.817 -9.919 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.845 -5.845 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.658 -10.421 5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.683 -6.346 6.566 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.835 -7.879 8.149 1.00 0.00 H new ATOM 616 N VAL A 41 -3.881 -5.580 1.156 1.00 0.00 N ATOM 617 CA VAL A 41 -4.252 -4.442 0.341 1.00 0.00 C ATOM 618 C VAL A 41 -3.427 -3.234 0.714 1.00 0.00 C ATOM 619 O VAL A 41 -3.297 -2.884 1.885 1.00 0.00 O ATOM 620 CB VAL A 41 -5.748 -4.116 0.441 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.530 -5.042 -0.478 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.230 -4.251 1.878 1.00 0.00 C ATOM 0 H VAL A 41 -4.188 -5.533 2.128 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.048 -4.711 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.911 -3.084 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.593 -4.811 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.195 -4.902 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.363 -6.077 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.293 -4.016 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.067 -5.273 2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.675 -3.561 2.514 1.00 0.00 H new ATOM 632 N LEU A 42 -2.844 -2.616 -0.293 1.00 0.00 N ATOM 633 CA LEU A 42 -2.004 -1.465 -0.086 1.00 0.00 C ATOM 634 C LEU A 42 -2.664 -0.206 -0.641 1.00 0.00 C ATOM 635 O LEU A 42 -3.236 -0.233 -1.721 1.00 0.00 O ATOM 636 CB LEU A 42 -0.655 -1.705 -0.749 1.00 0.00 C ATOM 637 CG LEU A 42 0.291 -0.527 -0.687 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.517 -0.107 0.746 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.603 -0.855 -1.363 1.00 0.00 C ATOM 0 H LEU A 42 -2.941 -2.898 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.857 -1.315 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.179 -2.563 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.819 -1.969 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.164 0.307 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.200 0.742 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.434 0.178 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.948 -0.938 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.267 0.007 -1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.068 -1.705 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.421 -1.104 -2.408 1.00 0.00 H new ATOM 651 N SER A 43 -2.589 0.893 0.101 1.00 0.00 N ATOM 652 CA SER A 43 -3.201 2.149 -0.348 1.00 0.00 C ATOM 653 C SER A 43 -2.267 3.341 -0.208 1.00 0.00 C ATOM 654 O SER A 43 -1.667 3.572 0.840 1.00 0.00 O ATOM 655 CB SER A 43 -4.516 2.400 0.366 1.00 0.00 C ATOM 656 OG SER A 43 -4.456 3.536 1.212 1.00 0.00 O ATOM 0 H SER A 43 -2.119 0.946 1.005 1.00 0.00 H new ATOM 0 HA SER A 43 -3.403 2.035 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.307 2.539 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.781 1.523 0.956 1.00 0.00 H new ATOM 0 HG SER A 43 -5.253 4.090 1.073 1.00 0.00 H new ATOM 662 N VAL A 44 -2.136 4.078 -1.301 1.00 0.00 N ATOM 663 CA VAL A 44 -1.249 5.244 -1.346 1.00 0.00 C ATOM 664 C VAL A 44 -2.006 6.542 -1.577 1.00 0.00 C ATOM 665 O VAL A 44 -3.046 6.558 -2.233 1.00 0.00 O ATOM 666 CB VAL A 44 -0.212 5.101 -2.483 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.791 5.520 -3.831 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.058 5.880 -2.167 1.00 0.00 C ATOM 0 H VAL A 44 -2.631 3.893 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.759 5.283 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 44 0.048 4.045 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.032 5.405 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.650 4.892 -4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.106 6.562 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.770 5.762 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.817 6.936 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.498 5.501 -1.245 1.00 0.00 H new ATOM 678 N ARG A 45 -1.425 7.641 -1.113 1.00 0.00 N ATOM 679 CA ARG A 45 -2.002 8.947 -1.362 1.00 0.00 C ATOM 680 C ARG A 45 -1.582 9.367 -2.761 1.00 0.00 C ATOM 681 O ARG A 45 -2.033 10.386 -3.285 1.00 0.00 O ATOM 682 CB ARG A 45 -1.518 9.987 -0.350 1.00 0.00 C ATOM 683 CG ARG A 45 -2.317 11.280 -0.388 1.00 0.00 C ATOM 684 CD ARG A 45 -1.602 12.405 0.344 1.00 0.00 C ATOM 685 NE ARG A 45 -1.515 13.617 -0.467 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.516 14.481 -0.620 1.00 0.00 C ATOM 687 NH1 ARG A 45 -3.680 14.272 -0.016 1.00 0.00 N ATOM 688 NH2 ARG A 45 -2.353 15.556 -1.378 1.00 0.00 N ATOM 0 H ARG A 45 -0.563 7.651 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.086 8.887 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.575 9.562 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.469 10.211 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.489 11.571 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.296 11.116 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.129 12.627 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.599 12.079 0.618 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.635 13.813 -0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.810 13.446 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.444 14.937 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.461 15.721 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.120 16.218 -1.495 1.00 0.00 H new ATOM 702 N ASP A 46 -0.697 8.552 -3.357 1.00 0.00 N ATOM 703 CA ASP A 46 -0.181 8.807 -4.706 1.00 0.00 C ATOM 704 C ASP A 46 0.191 10.287 -4.845 1.00 0.00 C ATOM 705 O ASP A 46 1.019 10.788 -4.088 1.00 0.00 O ATOM 706 CB ASP A 46 -1.217 8.378 -5.759 1.00 0.00 C ATOM 707 CG ASP A 46 -2.586 8.995 -5.532 1.00 0.00 C ATOM 708 OD1 ASP A 46 -3.279 8.576 -4.581 1.00 0.00 O ATOM 709 OD2 ASP A 46 -2.965 9.897 -6.307 1.00 0.00 O ATOM 0 H ASP A 46 -0.324 7.708 -2.921 1.00 0.00 H new ATOM 0 HA ASP A 46 0.720 8.216 -4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.858 8.659 -6.749 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.308 7.292 -5.749 1.00 0.00 H new ATOM 714 N THR A 47 -0.432 10.995 -5.783 1.00 0.00 N ATOM 715 CA THR A 47 -0.166 12.416 -5.962 1.00 0.00 C ATOM 716 C THR A 47 -1.387 13.240 -5.549 1.00 0.00 C ATOM 717 O THR A 47 -1.345 14.470 -5.531 1.00 0.00 O ATOM 718 CB THR A 47 0.204 12.714 -7.415 1.00 0.00 C ATOM 719 OG1 THR A 47 0.183 14.109 -7.662 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.722 12.055 -8.416 1.00 0.00 C ATOM 0 H THR A 47 -1.122 10.608 -6.428 1.00 0.00 H new ATOM 0 HA THR A 47 0.676 12.692 -5.327 1.00 0.00 H new ATOM 0 HB THR A 47 1.206 12.305 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.019 14.586 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.403 12.307 -9.427 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.690 10.973 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.741 12.409 -8.258 1.00 0.00 H new ATOM 728 N GLN A 48 -2.472 12.542 -5.215 1.00 0.00 N ATOM 729 CA GLN A 48 -3.713 13.181 -4.794 1.00 0.00 C ATOM 730 C GLN A 48 -4.764 12.116 -4.497 1.00 0.00 C ATOM 731 O GLN A 48 -4.830 11.094 -5.179 1.00 0.00 O ATOM 732 CB GLN A 48 -4.220 14.139 -5.875 1.00 0.00 C ATOM 733 CG GLN A 48 -3.937 15.602 -5.573 1.00 0.00 C ATOM 734 CD GLN A 48 -5.045 16.520 -6.053 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.972 16.089 -6.738 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.953 17.796 -5.694 1.00 0.00 N ATOM 0 H GLN A 48 -2.513 11.523 -5.229 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.522 13.758 -3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.758 13.877 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.295 14.003 -5.995 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.805 15.729 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.999 15.892 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.167 18.110 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.669 18.461 -5.987 1.00 0.00 H new ATOM 745 N ALA A 49 -5.573 12.346 -3.468 1.00 0.00 N ATOM 746 CA ALA A 49 -6.600 11.384 -3.087 1.00 0.00 C ATOM 747 C ALA A 49 -5.953 10.070 -2.660 1.00 0.00 C ATOM 748 O ALA A 49 -4.732 9.987 -2.539 1.00 0.00 O ATOM 749 CB ALA A 49 -7.571 11.155 -4.237 1.00 0.00 C ATOM 0 H ALA A 49 -5.538 13.184 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.162 11.787 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.330 10.434 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.050 12.097 -4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.028 10.769 -5.100 1.00 0.00 H new ATOM 755 N VAL A 50 -6.767 9.045 -2.435 1.00 0.00 N ATOM 756 CA VAL A 50 -6.242 7.748 -2.026 1.00 0.00 C ATOM 757 C VAL A 50 -6.477 6.684 -3.086 1.00 0.00 C ATOM 758 O VAL A 50 -7.554 6.598 -3.678 1.00 0.00 O ATOM 759 CB VAL A 50 -6.853 7.264 -0.696 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.319 5.882 -0.331 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.562 8.260 0.410 1.00 0.00 C ATOM 0 H VAL A 50 -7.782 9.085 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.170 7.894 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.934 7.189 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.762 5.558 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.578 5.173 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.235 5.927 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.999 7.905 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.484 8.364 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.993 9.227 0.152 1.00 0.00 H new ATOM 771 N ARG A 51 -5.461 5.862 -3.296 1.00 0.00 N ATOM 772 CA ARG A 51 -5.532 4.774 -4.254 1.00 0.00 C ATOM 773 C ARG A 51 -5.206 3.464 -3.556 1.00 0.00 C ATOM 774 O ARG A 51 -4.074 3.249 -3.127 1.00 0.00 O ATOM 775 CB ARG A 51 -4.555 5.003 -5.406 1.00 0.00 C ATOM 776 CG ARG A 51 -4.781 6.305 -6.152 1.00 0.00 C ATOM 777 CD ARG A 51 -4.239 6.238 -7.571 1.00 0.00 C ATOM 778 NE ARG A 51 -5.257 6.572 -8.564 1.00 0.00 N ATOM 779 CZ ARG A 51 -6.168 5.710 -9.014 1.00 0.00 C ATOM 780 NH1 ARG A 51 -6.193 4.462 -8.560 1.00 0.00 N ATOM 781 NH2 ARG A 51 -7.056 6.097 -9.918 1.00 0.00 N ATOM 0 H ARG A 51 -4.568 5.931 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.542 4.732 -4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.538 4.991 -5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.636 4.174 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.847 6.529 -6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.297 7.121 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.398 6.924 -7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.858 5.236 -7.766 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.271 7.522 -8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.512 4.159 -7.863 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.893 3.807 -8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.042 7.055 -10.269 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.753 5.437 -10.263 1.00 0.00 H new ATOM 795 N HIS A 52 -6.198 2.599 -3.428 1.00 0.00 N ATOM 796 CA HIS A 52 -5.997 1.321 -2.765 1.00 0.00 C ATOM 797 C HIS A 52 -5.552 0.271 -3.768 1.00 0.00 C ATOM 798 O HIS A 52 -5.656 0.479 -4.977 1.00 0.00 O ATOM 799 CB HIS A 52 -7.280 0.896 -2.056 1.00 0.00 C ATOM 800 CG HIS A 52 -7.700 1.909 -1.053 1.00 0.00 C ATOM 801 ND1 HIS A 52 -7.195 1.928 0.220 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.473 3.011 -1.170 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.617 3.003 0.843 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.404 3.681 0.026 1.00 0.00 N ATOM 0 H HIS A 52 -7.145 2.756 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.211 1.425 -2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.074 0.755 -2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.126 -0.065 -1.564 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.585 1.216 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.039 3.309 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.364 3.286 1.854 1.00 0.00 H new ATOM 813 N TYR A 53 -5.025 -0.843 -3.276 1.00 0.00 N ATOM 814 CA TYR A 53 -4.538 -1.882 -4.165 1.00 0.00 C ATOM 815 C TYR A 53 -4.540 -3.252 -3.511 1.00 0.00 C ATOM 816 O TYR A 53 -4.087 -3.417 -2.381 1.00 0.00 O ATOM 817 CB TYR A 53 -3.119 -1.542 -4.609 1.00 0.00 C ATOM 818 CG TYR A 53 -2.968 -0.128 -5.115 1.00 0.00 C ATOM 819 CD1 TYR A 53 -3.325 0.197 -6.414 1.00 0.00 C ATOM 820 CD2 TYR A 53 -2.460 0.877 -4.303 1.00 0.00 C ATOM 821 CE1 TYR A 53 -3.179 1.482 -6.896 1.00 0.00 C ATOM 822 CE2 TYR A 53 -2.316 2.165 -4.775 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.674 2.464 -6.072 1.00 0.00 C ATOM 824 OH TYR A 53 -2.518 3.747 -6.547 1.00 0.00 O ATOM 0 H TYR A 53 -4.926 -1.046 -2.281 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.213 -1.923 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.439 -1.694 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.817 -2.235 -5.395 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.725 -0.570 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.174 0.647 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.459 1.716 -7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.924 2.937 -4.130 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.641 4.092 -6.277 1.00 0.00 H new ATOM 834 N LYS A 54 -5.020 -4.240 -4.252 1.00 0.00 N ATOM 835 CA LYS A 54 -5.049 -5.610 -3.778 1.00 0.00 C ATOM 836 C LYS A 54 -3.705 -6.268 -4.051 1.00 0.00 C ATOM 837 O LYS A 54 -3.385 -6.591 -5.195 1.00 0.00 O ATOM 838 CB LYS A 54 -6.157 -6.396 -4.478 1.00 0.00 C ATOM 839 CG LYS A 54 -6.562 -7.664 -3.744 1.00 0.00 C ATOM 840 CD LYS A 54 -6.330 -8.905 -4.591 1.00 0.00 C ATOM 841 CE LYS A 54 -7.171 -8.884 -5.857 1.00 0.00 C ATOM 842 NZ LYS A 54 -8.590 -9.249 -5.588 1.00 0.00 N ATOM 0 H LYS A 54 -5.397 -4.113 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.247 -5.608 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.032 -5.755 -4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.826 -6.658 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.994 -7.745 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.615 -7.604 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.275 -8.973 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.571 -9.794 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.130 -7.890 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.749 -9.578 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.130 -9.223 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.632 -10.207 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.001 -8.572 -4.914 1.00 0.00 H new ATOM 856 N ILE A 55 -2.929 -6.482 -3.000 1.00 0.00 N ATOM 857 CA ILE A 55 -1.633 -7.118 -3.137 1.00 0.00 C ATOM 858 C ILE A 55 -1.842 -8.620 -3.071 1.00 0.00 C ATOM 859 O ILE A 55 -2.114 -9.175 -2.007 1.00 0.00 O ATOM 860 CB ILE A 55 -0.643 -6.668 -2.039 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.897 -5.217 -1.600 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.791 -6.815 -2.513 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.502 -4.960 -0.164 1.00 0.00 C ATOM 0 H ILE A 55 -3.176 -6.224 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.194 -6.826 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.805 -7.317 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.340 -4.543 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.954 -4.983 -1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.470 -6.492 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.988 -7.859 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.946 -6.200 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.704 -3.919 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.077 -5.611 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.561 -5.164 -0.037 1.00 0.00 H new ATOM 875 N TRP A 56 -1.768 -9.265 -4.226 1.00 0.00 N ATOM 876 CA TRP A 56 -2.012 -10.698 -4.312 1.00 0.00 C ATOM 877 C TRP A 56 -0.768 -11.510 -3.980 1.00 0.00 C ATOM 878 O TRP A 56 0.315 -11.262 -4.508 1.00 0.00 O ATOM 879 CB TRP A 56 -2.527 -11.051 -5.708 1.00 0.00 C ATOM 880 CG TRP A 56 -3.066 -12.444 -5.816 1.00 0.00 C ATOM 881 CD1 TRP A 56 -2.343 -13.597 -5.906 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.445 -12.830 -5.848 1.00 0.00 C ATOM 883 NE1 TRP A 56 -3.187 -14.678 -5.992 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.483 -14.233 -5.959 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.652 -12.126 -5.794 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.679 -14.944 -6.016 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.838 -12.833 -5.850 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.845 -14.228 -5.960 1.00 0.00 C ATOM 0 H TRP A 56 -1.541 -8.820 -5.115 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.768 -10.955 -3.570 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.310 -10.345 -5.986 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.717 -10.928 -6.427 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -1.264 -13.652 -5.909 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.896 -15.653 -6.068 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.657 -11.049 -5.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.687 -16.021 -6.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.776 -12.299 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.789 -14.751 -6.002 1.00 0.00 H new ATOM 899 N ARG A 57 -0.944 -12.482 -3.089 1.00 0.00 N ATOM 900 CA ARG A 57 0.147 -13.343 -2.661 1.00 0.00 C ATOM 901 C ARG A 57 0.288 -14.550 -3.582 1.00 0.00 C ATOM 902 O ARG A 57 -0.664 -14.949 -4.250 1.00 0.00 O ATOM 903 CB ARG A 57 -0.078 -13.809 -1.221 1.00 0.00 C ATOM 904 CG ARG A 57 1.207 -14.124 -0.472 1.00 0.00 C ATOM 905 CD ARG A 57 0.930 -14.909 0.800 1.00 0.00 C ATOM 906 NE ARG A 57 0.172 -14.125 1.773 1.00 0.00 N ATOM 907 CZ ARG A 57 -0.514 -14.658 2.782 1.00 0.00 C ATOM 908 NH1 ARG A 57 -0.539 -15.974 2.956 1.00 0.00 N ATOM 909 NH2 ARG A 57 -1.176 -13.872 3.620 1.00 0.00 N ATOM 0 H ARG A 57 -1.840 -12.691 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 57 1.070 -12.765 -2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.623 -13.036 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.709 -14.697 -1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.874 -14.696 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.722 -13.196 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.376 -15.815 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.874 -15.224 1.245 1.00 0.00 H new ATOM 0 HE ARG A 57 0.168 -13.110 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.031 -16.583 2.315 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.066 -16.376 3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.159 -12.860 3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.702 -14.279 4.393 1.00 0.00 H new ATOM 923 N ARG A 58 1.485 -15.123 -3.610 1.00 0.00 N ATOM 924 CA ARG A 58 1.760 -16.282 -4.451 1.00 0.00 C ATOM 925 C ARG A 58 1.457 -17.592 -3.722 1.00 0.00 C ATOM 926 O ARG A 58 1.884 -18.661 -4.157 1.00 0.00 O ATOM 927 CB ARG A 58 3.221 -16.259 -4.896 1.00 0.00 C ATOM 928 CG ARG A 58 3.445 -15.534 -6.214 1.00 0.00 C ATOM 929 CD ARG A 58 3.503 -16.504 -7.383 1.00 0.00 C ATOM 930 NE ARG A 58 2.426 -16.268 -8.342 1.00 0.00 N ATOM 931 CZ ARG A 58 2.355 -16.853 -9.535 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.295 -17.708 -9.921 1.00 0.00 N ATOM 933 NH2 ARG A 58 1.341 -16.583 -10.347 1.00 0.00 N ATOM 0 H ARG A 58 2.282 -14.804 -3.059 1.00 0.00 H new ATOM 0 HA ARG A 58 1.108 -16.229 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.820 -15.781 -4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.580 -17.284 -4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.641 -14.816 -6.376 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.374 -14.967 -6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.465 -16.408 -7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.439 -17.526 -7.010 1.00 0.00 H new ATOM 0 HE ARG A 58 1.685 -15.617 -8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.077 -17.920 -9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.235 -18.153 -10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.616 -15.927 -10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.287 -17.031 -11.262 1.00 0.00 H new ATOM 947 N ALA A 59 0.720 -17.508 -2.618 1.00 0.00 N ATOM 948 CA ALA A 59 0.368 -18.693 -1.844 1.00 0.00 C ATOM 949 C ALA A 59 1.614 -19.449 -1.395 1.00 0.00 C ATOM 950 O ALA A 59 1.733 -20.657 -1.608 1.00 0.00 O ATOM 951 CB ALA A 59 -0.541 -19.602 -2.659 1.00 0.00 C ATOM 0 H ALA A 59 0.356 -16.633 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.166 -18.368 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.797 -20.483 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.452 -19.064 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.026 -19.910 -3.569 1.00 0.00 H new ATOM 957 N GLY A 60 2.542 -18.731 -0.771 1.00 0.00 N ATOM 958 CA GLY A 60 3.768 -19.350 -0.301 1.00 0.00 C ATOM 959 C GLY A 60 4.777 -18.332 0.191 1.00 0.00 C ATOM 960 O GLY A 60 5.539 -18.603 1.120 1.00 0.00 O ATOM 0 H GLY A 60 2.467 -17.731 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.535 -20.045 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.209 -19.934 -1.108 1.00 0.00 H new ATOM 964 N GLY A 61 4.782 -17.158 -0.431 1.00 0.00 N ATOM 965 CA GLY A 61 5.709 -16.114 -0.037 1.00 0.00 C ATOM 966 C GLY A 61 6.023 -15.160 -1.172 1.00 0.00 C ATOM 967 O GLY A 61 7.095 -15.231 -1.772 1.00 0.00 O ATOM 0 H GLY A 61 4.160 -16.911 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.288 -15.554 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.634 -16.568 0.318 1.00 0.00 H new ATOM 971 N ARG A 62 5.085 -14.264 -1.465 1.00 0.00 N ATOM 972 CA ARG A 62 5.265 -13.288 -2.533 1.00 0.00 C ATOM 973 C ARG A 62 4.058 -12.366 -2.631 1.00 0.00 C ATOM 974 O ARG A 62 2.982 -12.685 -2.133 1.00 0.00 O ATOM 975 CB ARG A 62 5.488 -13.995 -3.873 1.00 0.00 C ATOM 976 CG ARG A 62 6.539 -13.329 -4.746 1.00 0.00 C ATOM 977 CD ARG A 62 6.789 -14.122 -6.018 1.00 0.00 C ATOM 978 NE ARG A 62 8.196 -14.096 -6.411 1.00 0.00 N ATOM 979 CZ ARG A 62 8.630 -14.392 -7.634 1.00 0.00 C ATOM 980 NH1 ARG A 62 7.771 -14.737 -8.586 1.00 0.00 N ATOM 981 NH2 ARG A 62 9.927 -14.343 -7.907 1.00 0.00 N ATOM 0 H ARG A 62 4.192 -14.194 -0.977 1.00 0.00 H new ATOM 0 HA ARG A 62 6.144 -12.689 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.785 -15.027 -3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.544 -14.029 -4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.215 -12.320 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.470 -13.232 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.473 -15.155 -5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.180 -13.715 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 62 8.886 -13.836 -5.707 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.772 -14.776 -8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.110 -14.963 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.592 -14.079 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.260 -14.570 -8.844 1.00 0.00 H new ATOM 995 N LEU A 63 4.248 -11.224 -3.280 1.00 0.00 N ATOM 996 CA LEU A 63 3.180 -10.252 -3.459 1.00 0.00 C ATOM 997 C LEU A 63 3.260 -9.637 -4.841 1.00 0.00 C ATOM 998 O LEU A 63 4.348 -9.419 -5.367 1.00 0.00 O ATOM 999 CB LEU A 63 3.257 -9.139 -2.409 1.00 0.00 C ATOM 1000 CG LEU A 63 2.640 -9.479 -1.055 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.212 -9.973 -1.235 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.485 -10.518 -0.332 1.00 0.00 C ATOM 0 H LEU A 63 5.139 -10.948 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 63 2.232 -10.778 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.304 -8.876 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.760 -8.253 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 63 2.616 -8.576 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.784 -10.212 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.616 -9.196 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.212 -10.866 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.031 -10.749 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.540 -11.425 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.489 -10.125 -0.175 1.00 0.00 H new ATOM 1014 N HIS A 64 2.109 -9.342 -5.419 1.00 0.00 N ATOM 1015 CA HIS A 64 2.065 -8.738 -6.735 1.00 0.00 C ATOM 1016 C HIS A 64 0.772 -7.958 -6.916 1.00 0.00 C ATOM 1017 O HIS A 64 -0.284 -8.532 -7.178 1.00 0.00 O ATOM 1018 CB HIS A 64 2.220 -9.800 -7.829 1.00 0.00 C ATOM 1019 CG HIS A 64 1.051 -10.727 -7.966 1.00 0.00 C ATOM 1020 ND1 HIS A 64 -0.011 -10.476 -8.809 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.789 -11.917 -7.378 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.876 -11.471 -8.731 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.414 -12.361 -7.871 1.00 0.00 N ATOM 0 H HIS A 64 1.196 -9.511 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 64 2.901 -8.044 -6.823 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.384 -9.299 -8.783 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.113 -10.390 -7.621 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -0.113 -9.651 -9.400 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.411 -12.424 -6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.804 -11.545 -9.278 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.875 -13.234 -7.615 1.00 0.00 H new ATOM 1032 N LEU A 65 0.861 -6.641 -6.777 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.308 -5.789 -6.935 1.00 0.00 C ATOM 1034 C LEU A 65 -0.922 -6.029 -8.306 1.00 0.00 C ATOM 1035 O LEU A 65 -2.135 -5.952 -8.495 1.00 0.00 O ATOM 1036 CB LEU A 65 0.071 -4.313 -6.796 1.00 0.00 C ATOM 1037 CG LEU A 65 0.432 -3.856 -5.384 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.564 -4.699 -4.822 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.819 -2.388 -5.393 1.00 0.00 C ATOM 0 H LEU A 65 1.724 -6.144 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.028 -6.035 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.917 -4.110 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.762 -3.707 -7.153 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.441 -3.985 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.807 -4.358 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.256 -5.744 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.442 -4.601 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.074 -2.073 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.679 -2.242 -6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.018 -1.793 -5.758 1.00 0.00 H new ATOM 1051 N ASN A 66 -0.044 -6.334 -9.249 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.428 -6.612 -10.623 1.00 0.00 C ATOM 1053 C ASN A 66 0.367 -7.795 -11.160 1.00 0.00 C ATOM 1054 O ASN A 66 1.207 -8.358 -10.455 1.00 0.00 O ATOM 1055 CB ASN A 66 -0.199 -5.381 -11.502 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.290 -5.197 -12.539 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.042 -5.286 -13.740 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -2.507 -4.937 -12.075 1.00 0.00 N ATOM 0 H ASN A 66 0.960 -6.396 -9.081 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.489 -6.861 -10.644 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.148 -4.493 -10.872 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.764 -5.471 -12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.282 -4.802 -12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.666 -4.872 -11.070 1.00 0.00 H new ATOM 1065 N GLU A 67 0.107 -8.170 -12.406 1.00 0.00 N ATOM 1066 CA GLU A 67 0.805 -9.292 -13.026 1.00 0.00 C ATOM 1067 C GLU A 67 2.186 -8.882 -13.538 1.00 0.00 C ATOM 1068 O GLU A 67 2.682 -9.447 -14.513 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.027 -9.861 -14.175 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.363 -10.435 -13.733 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.221 -11.782 -13.052 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -0.330 -12.560 -13.456 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -1.999 -12.058 -12.115 1.00 0.00 O ATOM 0 H GLU A 67 -0.580 -7.716 -13.007 1.00 0.00 H new ATOM 0 HA GLU A 67 0.942 -10.058 -12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.204 -9.074 -14.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.546 -10.641 -14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.847 -9.736 -13.051 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.015 -10.537 -14.600 1.00 0.00 H new ATOM 1080 N ALA A 68 2.804 -7.901 -12.884 1.00 0.00 N ATOM 1081 CA ALA A 68 4.123 -7.435 -13.293 1.00 0.00 C ATOM 1082 C ALA A 68 4.952 -6.924 -12.112 1.00 0.00 C ATOM 1083 O ALA A 68 6.056 -6.415 -12.309 1.00 0.00 O ATOM 1084 CB ALA A 68 3.987 -6.348 -14.347 1.00 0.00 C ATOM 0 H ALA A 68 2.415 -7.418 -12.075 1.00 0.00 H new ATOM 0 HA ALA A 68 4.654 -8.289 -13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.978 -6.006 -14.647 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.463 -6.747 -15.215 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.423 -5.511 -13.936 1.00 0.00 H new ATOM 1090 N VAL A 69 4.434 -7.049 -10.888 1.00 0.00 N ATOM 1091 CA VAL A 69 5.170 -6.578 -9.714 1.00 0.00 C ATOM 1092 C VAL A 69 5.184 -7.619 -8.596 1.00 0.00 C ATOM 1093 O VAL A 69 4.670 -7.378 -7.505 1.00 0.00 O ATOM 1094 CB VAL A 69 4.577 -5.263 -9.169 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.647 -4.171 -10.224 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.143 -5.468 -8.701 1.00 0.00 C ATOM 0 H VAL A 69 3.525 -7.465 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 69 6.194 -6.403 -10.044 1.00 0.00 H new ATOM 0 HB VAL A 69 5.171 -4.951 -8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.224 -3.250 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.687 -4.001 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.080 -4.478 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.746 -4.527 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.532 -5.808 -9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.122 -6.217 -7.909 1.00 0.00 H new ATOM 1106 N SER A 70 5.782 -8.776 -8.866 1.00 0.00 N ATOM 1107 CA SER A 70 5.855 -9.841 -7.871 1.00 0.00 C ATOM 1108 C SER A 70 7.049 -9.647 -6.933 1.00 0.00 C ATOM 1109 O SER A 70 8.137 -9.271 -7.368 1.00 0.00 O ATOM 1110 CB SER A 70 5.950 -11.204 -8.559 1.00 0.00 C ATOM 1111 OG SER A 70 6.962 -11.206 -9.551 1.00 0.00 O ATOM 0 H SER A 70 6.220 -8.999 -9.760 1.00 0.00 H new ATOM 0 HA SER A 70 4.944 -9.801 -7.274 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.162 -11.975 -7.818 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.991 -11.453 -9.013 1.00 0.00 H new ATOM 0 HG SER A 70 7.003 -12.089 -9.974 1.00 0.00 H new ATOM 1117 N PHE A 71 6.834 -9.905 -5.642 1.00 0.00 N ATOM 1118 CA PHE A 71 7.889 -9.757 -4.641 1.00 0.00 C ATOM 1119 C PHE A 71 7.631 -10.640 -3.425 1.00 0.00 C ATOM 1120 O PHE A 71 6.590 -10.550 -2.781 1.00 0.00 O ATOM 1121 CB PHE A 71 8.015 -8.294 -4.218 1.00 0.00 C ATOM 1122 CG PHE A 71 9.167 -7.589 -4.876 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.420 -7.586 -4.285 1.00 0.00 C ATOM 1124 CD2 PHE A 71 8.998 -6.937 -6.086 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.484 -6.944 -4.888 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.058 -6.293 -6.694 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.302 -6.296 -6.095 1.00 0.00 C ATOM 0 H PHE A 71 5.939 -10.217 -5.266 1.00 0.00 H new ATOM 0 HA PHE A 71 8.827 -10.079 -5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.090 -7.771 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.136 -8.244 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.567 -8.091 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.027 -6.932 -6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.456 -6.948 -4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.914 -5.787 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.132 -5.793 -6.569 1.00 0.00 H new ATOM 1137 N LEU A 72 8.610 -11.489 -3.131 1.00 0.00 N ATOM 1138 CA LEU A 72 8.566 -12.426 -2.005 1.00 0.00 C ATOM 1139 C LEU A 72 7.755 -11.912 -0.809 1.00 0.00 C ATOM 1140 O LEU A 72 7.116 -12.699 -0.109 1.00 0.00 O ATOM 1141 CB LEU A 72 9.993 -12.721 -1.557 1.00 0.00 C ATOM 1142 CG LEU A 72 10.893 -11.488 -1.494 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.671 -10.743 -0.186 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.354 -11.883 -1.650 1.00 0.00 C ATOM 0 H LEU A 72 9.471 -11.549 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 72 8.062 -13.326 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.964 -13.188 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.435 -13.446 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 72 10.634 -10.824 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.318 -9.866 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.630 -10.428 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.906 -11.400 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.979 -10.991 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.634 -12.566 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.497 -12.375 -2.612 1.00 0.00 H new ATOM 1156 N SER A 73 7.782 -10.604 -0.566 1.00 0.00 N ATOM 1157 CA SER A 73 7.046 -10.033 0.559 1.00 0.00 C ATOM 1158 C SER A 73 6.736 -8.559 0.334 1.00 0.00 C ATOM 1159 O SER A 73 7.325 -7.914 -0.533 1.00 0.00 O ATOM 1160 CB SER A 73 7.844 -10.203 1.852 1.00 0.00 C ATOM 1161 OG SER A 73 7.037 -9.947 2.989 1.00 0.00 O ATOM 0 H SER A 73 8.299 -9.926 -1.126 1.00 0.00 H new ATOM 0 HA SER A 73 6.100 -10.569 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.243 -11.216 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.697 -9.525 1.848 1.00 0.00 H new ATOM 0 HG SER A 73 7.571 -10.064 3.802 1.00 0.00 H new ATOM 1167 N LEU A 74 5.807 -8.027 1.129 1.00 0.00 N ATOM 1168 CA LEU A 74 5.424 -6.624 1.022 1.00 0.00 C ATOM 1169 C LEU A 74 6.657 -5.721 1.086 1.00 0.00 C ATOM 1170 O LEU A 74 6.944 -4.982 0.146 1.00 0.00 O ATOM 1171 CB LEU A 74 4.459 -6.232 2.139 1.00 0.00 C ATOM 1172 CG LEU A 74 3.026 -5.936 1.691 1.00 0.00 C ATOM 1173 CD1 LEU A 74 3.007 -5.202 0.354 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.214 -7.219 1.610 1.00 0.00 C ATOM 0 H LEU A 74 5.309 -8.547 1.851 1.00 0.00 H new ATOM 0 HA LEU A 74 4.928 -6.493 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.434 -7.037 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.853 -5.351 2.645 1.00 0.00 H new ATOM 0 HG LEU A 74 2.570 -5.285 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.976 -5.005 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.543 -4.258 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.489 -5.817 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.198 -6.987 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.675 -7.897 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.186 -7.694 2.591 1.00 0.00 H new ATOM 1186 N PRO A 75 7.404 -5.770 2.211 1.00 0.00 N ATOM 1187 CA PRO A 75 8.606 -4.963 2.416 1.00 0.00 C ATOM 1188 C PRO A 75 9.455 -4.847 1.155 1.00 0.00 C ATOM 1189 O PRO A 75 9.795 -3.744 0.726 1.00 0.00 O ATOM 1190 CB PRO A 75 9.373 -5.714 3.518 1.00 0.00 C ATOM 1191 CG PRO A 75 8.526 -6.893 3.893 1.00 0.00 C ATOM 1192 CD PRO A 75 7.142 -6.612 3.382 1.00 0.00 C ATOM 0 HA PRO A 75 8.357 -3.936 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.351 -6.036 3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.545 -5.069 4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.922 -7.809 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.518 -7.035 4.974 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.614 -7.527 3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.532 -6.097 4.124 1.00 0.00 H new ATOM 1200 N GLU A 76 9.785 -5.985 0.555 1.00 0.00 N ATOM 1201 CA GLU A 76 10.581 -5.986 -0.664 1.00 0.00 C ATOM 1202 C GLU A 76 9.767 -5.408 -1.811 1.00 0.00 C ATOM 1203 O GLU A 76 10.274 -4.629 -2.619 1.00 0.00 O ATOM 1204 CB GLU A 76 11.052 -7.401 -1.003 1.00 0.00 C ATOM 1205 CG GLU A 76 11.889 -8.045 0.092 1.00 0.00 C ATOM 1206 CD GLU A 76 12.962 -7.120 0.635 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.914 -6.812 -0.112 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.849 -6.705 1.807 1.00 0.00 O ATOM 0 H GLU A 76 9.516 -6.910 0.890 1.00 0.00 H new ATOM 0 HA GLU A 76 11.463 -5.366 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.182 -8.027 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.635 -7.370 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.235 -8.354 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.358 -8.948 -0.300 1.00 0.00 H new ATOM 1215 N LEU A 77 8.492 -5.781 -1.863 1.00 0.00 N ATOM 1216 CA LEU A 77 7.591 -5.284 -2.896 1.00 0.00 C ATOM 1217 C LEU A 77 7.540 -3.762 -2.850 1.00 0.00 C ATOM 1218 O LEU A 77 7.879 -3.087 -3.822 1.00 0.00 O ATOM 1219 CB LEU A 77 6.185 -5.856 -2.695 1.00 0.00 C ATOM 1220 CG LEU A 77 5.071 -5.136 -3.461 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.917 -6.084 -3.734 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.592 -3.913 -2.688 1.00 0.00 C ATOM 0 H LEU A 77 8.060 -6.426 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 77 7.964 -5.602 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.191 -6.904 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.948 -5.829 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 77 5.472 -4.799 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.134 -5.557 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.270 -6.925 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.517 -6.452 -2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.801 -3.415 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.208 -4.224 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.424 -3.224 -2.545 1.00 0.00 H new ATOM 1234 N VAL A 78 7.120 -3.231 -1.705 1.00 0.00 N ATOM 1235 CA VAL A 78 7.033 -1.792 -1.514 1.00 0.00 C ATOM 1236 C VAL A 78 8.359 -1.136 -1.894 1.00 0.00 C ATOM 1237 O VAL A 78 8.388 -0.006 -2.378 1.00 0.00 O ATOM 1238 CB VAL A 78 6.641 -1.454 -0.053 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.872 0.014 0.275 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.184 -1.819 0.194 1.00 0.00 C ATOM 0 H VAL A 78 6.834 -3.781 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 78 6.253 -1.397 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 78 7.283 -2.042 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.584 0.206 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.927 0.255 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.271 0.634 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.918 -1.578 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.547 -1.255 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.042 -2.886 0.023 1.00 0.00 H new ATOM 1250 N ASN A 79 9.451 -1.872 -1.701 1.00 0.00 N ATOM 1251 CA ASN A 79 10.772 -1.373 -2.057 1.00 0.00 C ATOM 1252 C ASN A 79 10.839 -1.146 -3.562 1.00 0.00 C ATOM 1253 O ASN A 79 11.478 -0.207 -4.037 1.00 0.00 O ATOM 1254 CB ASN A 79 11.855 -2.362 -1.619 1.00 0.00 C ATOM 1255 CG ASN A 79 12.924 -1.708 -0.766 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.070 -0.486 -0.762 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.679 -2.522 -0.037 1.00 0.00 N ATOM 0 H ASN A 79 9.445 -2.811 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 79 10.947 -0.428 -1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.395 -3.176 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.318 -2.804 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.415 -2.140 0.557 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.523 -3.529 -0.071 1.00 0.00 H new ATOM 1264 N TYR A 80 10.145 -2.007 -4.305 1.00 0.00 N ATOM 1265 CA TYR A 80 10.091 -1.901 -5.757 1.00 0.00 C ATOM 1266 C TYR A 80 9.063 -0.847 -6.150 1.00 0.00 C ATOM 1267 O TYR A 80 9.181 -0.199 -7.190 1.00 0.00 O ATOM 1268 CB TYR A 80 9.729 -3.258 -6.371 1.00 0.00 C ATOM 1269 CG TYR A 80 9.392 -3.204 -7.847 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.099 -2.379 -8.712 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.369 -3.984 -8.374 1.00 0.00 C ATOM 1272 CE1 TYR A 80 9.796 -2.332 -10.060 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.061 -3.942 -9.721 1.00 0.00 C ATOM 1274 CZ TYR A 80 8.778 -3.115 -10.558 1.00 0.00 C ATOM 1275 OH TYR A 80 8.474 -3.072 -11.900 1.00 0.00 O ATOM 0 H TYR A 80 9.612 -2.787 -3.921 1.00 0.00 H new ATOM 0 HA TYR A 80 11.069 -1.603 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.564 -3.944 -6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.878 -3.673 -5.831 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.898 -1.764 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.806 -4.633 -7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.355 -1.684 -10.719 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.263 -4.554 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 80 8.433 -3.984 -12.256 1.00 0.00 H new ATOM 1285 N HIS A 81 8.061 -0.678 -5.293 1.00 0.00 N ATOM 1286 CA HIS A 81 7.008 0.297 -5.517 1.00 0.00 C ATOM 1287 C HIS A 81 7.528 1.710 -5.274 1.00 0.00 C ATOM 1288 O HIS A 81 7.029 2.675 -5.854 1.00 0.00 O ATOM 1289 CB HIS A 81 5.827 0.009 -4.586 1.00 0.00 C ATOM 1290 CG HIS A 81 4.515 -0.110 -5.295 1.00 0.00 C ATOM 1291 ND1 HIS A 81 3.335 0.378 -4.776 1.00 0.00 N ATOM 1292 CD2 HIS A 81 4.199 -0.664 -6.489 1.00 0.00 C ATOM 1293 CE1 HIS A 81 2.351 0.131 -5.621 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.849 -0.501 -6.667 1.00 0.00 N ATOM 0 H HIS A 81 7.959 -1.211 -4.430 1.00 0.00 H new ATOM 0 HA HIS A 81 6.677 0.222 -6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.021 -0.916 -4.043 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.758 0.805 -3.845 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.237 0.855 -3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.882 -1.145 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.315 0.400 -5.480 1.00 0.00 H new ATOM 1303 N ARG A 82 8.533 1.826 -4.406 1.00 0.00 N ATOM 1304 CA ARG A 82 9.111 3.124 -4.083 1.00 0.00 C ATOM 1305 C ARG A 82 9.970 3.639 -5.214 1.00 0.00 C ATOM 1306 O ARG A 82 9.824 4.775 -5.660 1.00 0.00 O ATOM 1307 CB ARG A 82 9.929 3.041 -2.792 1.00 0.00 C ATOM 1308 CG ARG A 82 10.082 4.376 -2.082 1.00 0.00 C ATOM 1309 CD ARG A 82 9.951 4.221 -0.575 1.00 0.00 C ATOM 1310 NE ARG A 82 11.146 3.623 0.017 1.00 0.00 N ATOM 1311 CZ ARG A 82 11.144 2.925 1.151 1.00 0.00 C ATOM 1312 NH1 ARG A 82 10.015 2.739 1.824 1.00 0.00 N ATOM 1313 NH2 ARG A 82 12.276 2.411 1.613 1.00 0.00 N ATOM 0 H ARG A 82 8.960 1.039 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 82 8.290 3.826 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.453 2.331 -2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.918 2.646 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.054 4.808 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.325 5.072 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.772 5.197 -0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.084 3.601 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 82 12.035 3.748 -0.468 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.142 3.132 1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.021 2.203 2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.146 2.551 1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.276 1.876 2.481 1.00 0.00 H new ATOM 1327 N ALA A 83 10.857 2.795 -5.676 1.00 0.00 N ATOM 1328 CA ALA A 83 11.733 3.158 -6.769 1.00 0.00 C ATOM 1329 C ALA A 83 10.915 3.296 -8.042 1.00 0.00 C ATOM 1330 O ALA A 83 10.822 4.371 -8.633 1.00 0.00 O ATOM 1331 CB ALA A 83 12.830 2.118 -6.944 1.00 0.00 C ATOM 0 H ALA A 83 10.994 1.851 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 83 12.211 4.112 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.478 2.409 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.417 2.051 -6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.381 1.148 -7.159 1.00 0.00 H new ATOM 1337 N GLN A 84 10.316 2.183 -8.445 1.00 0.00 N ATOM 1338 CA GLN A 84 9.483 2.134 -9.640 1.00 0.00 C ATOM 1339 C GLN A 84 7.996 2.256 -9.306 1.00 0.00 C ATOM 1340 O GLN A 84 7.510 1.632 -8.363 1.00 0.00 O ATOM 1341 CB GLN A 84 9.737 0.833 -10.406 1.00 0.00 C ATOM 1342 CG GLN A 84 10.703 0.992 -11.569 1.00 0.00 C ATOM 1343 CD GLN A 84 12.140 0.719 -11.174 1.00 0.00 C ATOM 1344 OE1 GLN A 84 12.415 -0.154 -10.351 1.00 0.00 O ATOM 1345 NE2 GLN A 84 13.068 1.468 -11.761 1.00 0.00 N ATOM 0 H GLN A 84 10.393 1.292 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 84 9.755 2.986 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.131 0.086 -9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.788 0.451 -10.782 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.415 0.312 -12.371 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.625 2.004 -11.966 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.795 2.181 -12.438 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.053 1.330 -11.535 1.00 0.00 H new ATOM 1354 N SER A 85 7.271 3.026 -10.112 1.00 0.00 N ATOM 1355 CA SER A 85 5.830 3.187 -9.934 1.00 0.00 C ATOM 1356 C SER A 85 5.095 2.209 -10.847 1.00 0.00 C ATOM 1357 O SER A 85 4.054 2.534 -11.419 1.00 0.00 O ATOM 1358 CB SER A 85 5.405 4.621 -10.251 1.00 0.00 C ATOM 1359 OG SER A 85 5.532 4.899 -11.635 1.00 0.00 O ATOM 0 H SER A 85 7.658 3.550 -10.897 1.00 0.00 H new ATOM 0 HA SER A 85 5.576 2.977 -8.895 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.372 4.774 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.017 5.319 -9.679 1.00 0.00 H new ATOM 0 HG SER A 85 5.106 5.759 -11.836 1.00 0.00 H new ATOM 1365 N LEU A 86 5.671 1.013 -10.992 1.00 0.00 N ATOM 1366 CA LEU A 86 5.121 -0.040 -11.849 1.00 0.00 C ATOM 1367 C LEU A 86 3.596 -0.051 -11.859 1.00 0.00 C ATOM 1368 O LEU A 86 2.958 -0.558 -10.935 1.00 0.00 O ATOM 1369 CB LEU A 86 5.641 -1.405 -11.400 1.00 0.00 C ATOM 1370 CG LEU A 86 5.635 -2.485 -12.483 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.209 -2.830 -12.884 1.00 0.00 C ATOM 1372 CD2 LEU A 86 6.435 -2.029 -13.694 1.00 0.00 C ATOM 0 H LEU A 86 6.534 0.747 -10.517 1.00 0.00 H new ATOM 0 HA LEU A 86 5.452 0.172 -12.866 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.660 -1.286 -11.032 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.037 -1.749 -10.561 1.00 0.00 H new ATOM 0 HG LEU A 86 6.104 -3.382 -12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.224 -3.600 -13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.665 -3.199 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.714 -1.939 -13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.420 -2.809 -14.455 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.994 -1.118 -14.100 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.465 -1.832 -13.396 1.00 0.00 H new ATOM 1384 N SER A 87 3.021 0.503 -12.923 1.00 0.00 N ATOM 1385 CA SER A 87 1.571 0.556 -13.085 1.00 0.00 C ATOM 1386 C SER A 87 0.866 0.962 -11.794 1.00 0.00 C ATOM 1387 O SER A 87 -0.289 0.599 -11.572 1.00 0.00 O ATOM 1388 CB SER A 87 1.044 -0.801 -13.555 1.00 0.00 C ATOM 1389 OG SER A 87 -0.370 -0.793 -13.654 1.00 0.00 O ATOM 0 H SER A 87 3.542 0.925 -13.692 1.00 0.00 H new ATOM 0 HA SER A 87 1.355 1.316 -13.836 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.478 -1.047 -14.524 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.358 -1.578 -12.858 1.00 0.00 H new ATOM 0 HG SER A 87 -0.756 -0.493 -12.805 1.00 0.00 H new ATOM 1395 N HIS A 88 1.555 1.720 -10.947 1.00 0.00 N ATOM 1396 CA HIS A 88 0.964 2.166 -9.693 1.00 0.00 C ATOM 1397 C HIS A 88 0.557 3.640 -9.782 1.00 0.00 C ATOM 1398 O HIS A 88 1.071 4.393 -10.609 1.00 0.00 O ATOM 1399 CB HIS A 88 1.919 1.920 -8.513 1.00 0.00 C ATOM 1400 CG HIS A 88 1.594 2.747 -7.310 1.00 0.00 C ATOM 1401 ND1 HIS A 88 2.236 3.799 -6.739 1.00 0.00 N flip ATOM 1402 CD2 HIS A 88 0.463 2.543 -6.559 1.00 0.00 C flip ATOM 1403 CE1 HIS A 88 1.484 4.197 -5.669 1.00 0.00 C flip ATOM 1404 NE2 HIS A 88 0.421 3.426 -5.586 1.00 0.00 N flip ATOM 0 H HIS A 88 2.512 2.035 -11.104 1.00 0.00 H new ATOM 0 HA HIS A 88 0.063 1.579 -9.513 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.885 0.865 -8.241 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.940 2.135 -8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.277 1.777 -6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.723 5.011 -5.001 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.314 3.501 -4.883 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.394 4.024 -8.937 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.909 5.386 -8.923 1.00 0.00 C ATOM 1415 C GLY A 89 0.145 6.474 -9.065 1.00 0.00 C ATOM 1416 O GLY A 89 -0.067 7.447 -9.790 1.00 0.00 O ATOM 0 H GLY A 89 -0.825 3.406 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.632 5.493 -9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.449 5.544 -7.990 1.00 0.00 H new ATOM 1420 N LEU A 90 1.265 6.341 -8.363 1.00 0.00 N ATOM 1421 CA LEU A 90 2.312 7.356 -8.420 1.00 0.00 C ATOM 1422 C LEU A 90 3.682 6.780 -8.108 1.00 0.00 C ATOM 1423 O LEU A 90 4.560 6.744 -8.964 1.00 0.00 O ATOM 1424 CB LEU A 90 1.987 8.488 -7.439 1.00 0.00 C ATOM 1425 CG LEU A 90 3.077 9.548 -7.267 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.887 10.675 -8.269 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.067 10.089 -5.844 1.00 0.00 C ATOM 0 H LEU A 90 1.471 5.549 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 90 2.343 7.743 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.074 8.982 -7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.775 8.050 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 90 4.046 9.084 -7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.671 11.420 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.940 10.275 -9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.914 11.140 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.847 10.842 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.097 10.539 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.250 9.274 -5.144 1.00 0.00 H new ATOM 1439 N ARG A 91 3.842 6.348 -6.870 1.00 0.00 N ATOM 1440 CA ARG A 91 5.097 5.768 -6.380 1.00 0.00 C ATOM 1441 C ARG A 91 5.157 5.814 -4.850 1.00 0.00 C ATOM 1442 O ARG A 91 4.712 6.780 -4.232 1.00 0.00 O ATOM 1443 CB ARG A 91 6.305 6.515 -6.964 1.00 0.00 C ATOM 1444 CG ARG A 91 7.628 6.160 -6.307 1.00 0.00 C ATOM 1445 CD ARG A 91 8.771 6.997 -6.861 1.00 0.00 C ATOM 1446 NE ARG A 91 9.575 7.596 -5.799 1.00 0.00 N ATOM 1447 CZ ARG A 91 9.192 8.652 -5.084 1.00 0.00 C ATOM 1448 NH1 ARG A 91 8.021 9.230 -5.317 1.00 0.00 N ATOM 1449 NH2 ARG A 91 9.983 9.133 -4.135 1.00 0.00 N ATOM 0 H ARG A 91 3.105 6.386 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 91 5.131 4.728 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.371 6.300 -8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.138 7.588 -6.865 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.553 6.313 -5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.841 5.103 -6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.407 6.372 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.368 7.784 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 91 10.484 7.181 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.409 8.866 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.733 10.039 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.885 8.694 -3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.689 9.942 -3.588 1.00 0.00 H new ATOM 1463 N LEU A 92 5.726 4.769 -4.247 1.00 0.00 N ATOM 1464 CA LEU A 92 5.863 4.699 -2.792 1.00 0.00 C ATOM 1465 C LEU A 92 6.685 5.884 -2.276 1.00 0.00 C ATOM 1466 O LEU A 92 7.593 6.354 -2.961 1.00 0.00 O ATOM 1467 CB LEU A 92 6.541 3.391 -2.390 1.00 0.00 C ATOM 1468 CG LEU A 92 5.900 2.647 -1.214 1.00 0.00 C ATOM 1469 CD1 LEU A 92 5.296 3.616 -0.204 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.846 1.667 -1.712 1.00 0.00 C ATOM 0 H LEU A 92 6.099 3.960 -4.744 1.00 0.00 H new ATOM 0 HA LEU A 92 4.868 4.738 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.551 2.727 -3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.580 3.603 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 92 6.686 2.087 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.850 3.055 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.077 4.269 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.529 4.218 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.402 1.148 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.070 2.210 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.311 0.941 -2.379 1.00 0.00 H new ATOM 1482 N ALA A 93 6.375 6.365 -1.073 1.00 0.00 N ATOM 1483 CA ALA A 93 7.110 7.491 -0.499 1.00 0.00 C ATOM 1484 C ALA A 93 7.383 7.292 0.992 1.00 0.00 C ATOM 1485 O ALA A 93 8.466 6.853 1.378 1.00 0.00 O ATOM 1486 CB ALA A 93 6.358 8.792 -0.734 1.00 0.00 C ATOM 0 H ALA A 93 5.629 5.998 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 93 8.075 7.544 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.919 9.620 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.240 8.955 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.376 8.734 -0.265 1.00 0.00 H new ATOM 1492 N ALA A 94 6.405 7.634 1.828 1.00 0.00 N ATOM 1493 CA ALA A 94 6.555 7.507 3.275 1.00 0.00 C ATOM 1494 C ALA A 94 5.346 6.807 3.899 1.00 0.00 C ATOM 1495 O ALA A 94 4.421 6.411 3.193 1.00 0.00 O ATOM 1496 CB ALA A 94 6.753 8.886 3.889 1.00 0.00 C ATOM 0 H ALA A 94 5.502 8.001 1.528 1.00 0.00 H new ATOM 0 HA ALA A 94 7.431 6.892 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.865 8.791 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.648 9.345 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.888 9.511 3.668 1.00 0.00 H new ATOM 1502 N PRO A 95 5.335 6.637 5.239 1.00 0.00 N ATOM 1503 CA PRO A 95 4.228 5.979 5.934 1.00 0.00 C ATOM 1504 C PRO A 95 3.021 6.894 6.099 1.00 0.00 C ATOM 1505 O PRO A 95 3.166 8.095 6.325 1.00 0.00 O ATOM 1506 CB PRO A 95 4.823 5.637 7.298 1.00 0.00 C ATOM 1507 CG PRO A 95 5.866 6.675 7.530 1.00 0.00 C ATOM 1508 CD PRO A 95 6.395 7.067 6.174 1.00 0.00 C ATOM 0 HA PRO A 95 3.858 5.115 5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.062 5.660 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.254 4.636 7.302 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.445 7.538 8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.666 6.286 8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.572 8.141 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.343 6.574 5.957 1.00 0.00 H new ATOM 1516 N CYS A 96 1.830 6.317 5.988 1.00 0.00 N ATOM 1517 CA CYS A 96 0.600 7.082 6.130 1.00 0.00 C ATOM 1518 C CYS A 96 0.449 7.600 7.557 1.00 0.00 C ATOM 1519 O CYS A 96 0.652 6.860 8.520 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.609 6.223 5.747 1.00 0.00 C ATOM 1521 SG CYS A 96 -1.012 4.928 6.944 1.00 0.00 S ATOM 0 H CYS A 96 1.692 5.324 5.800 1.00 0.00 H new ATOM 0 HA CYS A 96 0.649 7.938 5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.477 6.871 5.625 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.419 5.760 4.779 1.00 0.00 H new ATOM 0 HG CYS A 96 -0.421 5.182 8.074 1.00 0.00 H new ATOM 1527 N ARG A 97 0.096 8.873 7.686 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.078 9.486 8.998 1.00 0.00 C ATOM 1529 C ARG A 97 -1.537 9.858 9.236 1.00 0.00 C ATOM 1530 O ARG A 97 -2.404 9.572 8.411 1.00 0.00 O ATOM 1531 CB ARG A 97 0.805 10.728 9.128 1.00 0.00 C ATOM 1532 CG ARG A 97 2.181 10.571 8.499 1.00 0.00 C ATOM 1533 CD ARG A 97 3.170 11.577 9.062 1.00 0.00 C ATOM 1534 NE ARG A 97 3.384 11.390 10.494 1.00 0.00 N ATOM 1535 CZ ARG A 97 4.050 10.363 11.018 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.569 9.430 10.229 1.00 0.00 N ATOM 1537 NH2 ARG A 97 4.197 10.268 12.332 1.00 0.00 N ATOM 0 H ARG A 97 -0.075 9.500 6.900 1.00 0.00 H new ATOM 0 HA ARG A 97 0.220 8.758 9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.298 11.573 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.924 10.969 10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.549 9.560 8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.105 10.699 7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.121 11.483 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.804 12.587 8.879 1.00 0.00 H new ATOM 0 HE ARG A 97 3.000 12.088 11.131 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.458 9.498 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.079 8.645 10.634 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.800 10.982 12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.707 9.481 12.732 1.00 0.00 H new ATOM 1551 N LYS A 98 -1.800 10.497 10.371 1.00 0.00 N ATOM 1552 CA LYS A 98 -3.154 10.909 10.720 1.00 0.00 C ATOM 1553 C LYS A 98 -3.131 12.103 11.669 1.00 0.00 C ATOM 1554 O LYS A 98 -3.544 13.204 11.308 1.00 0.00 O ATOM 1555 CB LYS A 98 -3.913 9.742 11.359 1.00 0.00 C ATOM 1556 CG LYS A 98 -5.154 9.328 10.586 1.00 0.00 C ATOM 1557 CD LYS A 98 -5.323 7.817 10.568 1.00 0.00 C ATOM 1558 CE LYS A 98 -5.641 7.275 11.952 1.00 0.00 C ATOM 1559 NZ LYS A 98 -5.164 5.875 12.124 1.00 0.00 N ATOM 0 H LYS A 98 -1.093 10.741 11.065 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.667 11.208 9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.244 8.886 11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.202 10.019 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.034 9.788 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.087 9.700 9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.123 7.548 9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.410 7.352 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.178 7.911 12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.717 7.315 12.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.400 5.543 13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.625 5.262 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.133 5.841 11.990 1.00 0.00 H new ATOM 1573 N HIS A 99 -2.643 11.876 12.884 1.00 0.00 N ATOM 1574 CA HIS A 99 -2.564 12.933 13.886 1.00 0.00 C ATOM 1575 C HIS A 99 -3.944 13.516 14.173 1.00 0.00 C ATOM 1576 O HIS A 99 -4.421 14.393 13.453 1.00 0.00 O ATOM 1577 CB HIS A 99 -1.612 14.037 13.419 1.00 0.00 C ATOM 1578 CG HIS A 99 -0.470 14.277 14.355 1.00 0.00 C ATOM 1579 ND1 HIS A 99 0.230 13.258 14.966 1.00 0.00 N ATOM 1580 CD2 HIS A 99 0.097 15.430 14.784 1.00 0.00 C ATOM 1581 CE1 HIS A 99 1.176 13.773 15.732 1.00 0.00 C ATOM 1582 NE2 HIS A 99 1.117 15.088 15.638 1.00 0.00 N ATOM 0 H HIS A 99 -2.296 10.970 13.199 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.178 12.499 14.808 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.218 13.774 12.437 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.174 14.963 13.299 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.198 16.431 14.506 1.00 0.00 H new ATOM 0 HE1 HIS A 99 1.878 13.213 16.332 1.00 0.00 H new ATOM 0 HE2 HIS A 99 1.730 15.744 16.121 1.00 0.00 H new ATOM 1591 N GLU A 100 -4.581 13.023 15.230 1.00 0.00 N ATOM 1592 CA GLU A 100 -5.907 13.494 15.614 1.00 0.00 C ATOM 1593 C GLU A 100 -5.862 14.203 16.964 1.00 0.00 C ATOM 1594 O GLU A 100 -6.942 14.563 17.479 1.00 0.00 O ATOM 1595 CB GLU A 100 -6.892 12.323 15.667 1.00 0.00 C ATOM 1596 CG GLU A 100 -7.920 12.342 14.548 1.00 0.00 C ATOM 1597 CD GLU A 100 -9.208 13.032 14.954 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -10.097 12.350 15.506 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -9.328 14.252 14.718 1.00 0.00 O ATOM 1600 OXT GLU A 100 -4.748 14.392 17.495 1.00 0.00 O ATOM 0 H GLU A 100 -4.200 12.297 15.837 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.245 14.207 14.862 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.334 11.388 15.621 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.410 12.338 16.626 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.498 12.849 13.680 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.140 11.319 14.244 1.00 0.00 H new TER 1607 GLU A 100