USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 60 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 61 GLN : amide:sc= -0.0655 X(o=-0.065,f=-0.072) USER MOD Single : A 1 MET CE :methyl -117:sc= -1.32 (180deg=-2.16) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0133 (180deg=-0.0553) USER MOD Single : A 3 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.12) USER MOD Single : A 7 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.16) USER MOD Single : A 13 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.94) USER MOD Single : A 14 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.65) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= 0.814 (180deg=-1.27!) USER MOD Single : A 19 LYS NZ :NH3+ -124:sc= 0.0721 (180deg=0) USER MOD Single : A 21 SER OG : rot 90:sc= -0.156 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 23 TYR OH : rot 59:sc= -0.208 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -0.907 (180deg=-3.21!) USER MOD Single : A 29 MET CE :methyl -145:sc= -1.23 (180deg=-3.28!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc=-0.000511 X(o=-0.00051,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -2.47! (180deg=-4.95!) USER MOD Single : A 45 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.42) USER MOD Single : A 50 SER OG : rot 180:sc= 0.046 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.26! C(o=-1.3!,f=-7.4!) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0.00101 (180deg=-0.00167) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.104) USER MOD Single : A 74 GLN : amide:sc= -3.83! C(o=-3.8!,f=-6.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.059) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00936) USER MOD Single : A 86 SER OG : rot 180:sc= -0.121 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc=-0.00585 (180deg=-0.131) USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= -0.0244 (180deg=-0.145) USER MOD Single : A 96 TYR OH : rot 130:sc= 0.267 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.128 -2.040 12.717 1.00 60.23 N ATOM 2 CA MET A 1 -14.978 -1.947 11.236 1.00 60.24 C ATOM 3 C MET A 1 -15.463 -3.231 10.546 1.00 55.12 C ATOM 4 O MET A 1 -15.333 -4.325 11.094 1.00 44.04 O ATOM 5 CB MET A 1 -13.515 -1.657 10.856 1.00 3.41 C ATOM 6 CG MET A 1 -12.524 -2.711 11.329 1.00 51.22 C ATOM 7 SD MET A 1 -10.825 -2.322 10.858 1.00 62.24 S ATOM 8 CE MET A 1 -9.937 -3.692 11.599 1.00 63.11 C ATOM 0 H1 MET A 1 -14.270 -1.674 13.177 1.00 60.23 H new ATOM 0 H2 MET A 1 -15.949 -1.477 13.019 1.00 60.23 H new ATOM 0 H3 MET A 1 -15.270 -3.033 12.990 1.00 60.23 H new ATOM 0 HA MET A 1 -15.600 -1.121 10.890 1.00 60.24 H new ATOM 0 HB2 MET A 1 -13.444 -1.569 9.772 1.00 3.41 H new ATOM 0 HB3 MET A 1 -13.228 -0.692 11.274 1.00 3.41 H new ATOM 0 HG2 MET A 1 -12.585 -2.802 12.413 1.00 51.22 H new ATOM 0 HG3 MET A 1 -12.801 -3.679 10.912 1.00 51.22 H new ATOM 0 HE1 MET A 1 -9.252 -3.314 12.358 1.00 63.11 H new ATOM 0 HE2 MET A 1 -10.647 -4.379 12.061 1.00 63.11 H new ATOM 0 HE3 MET A 1 -9.372 -4.218 10.830 1.00 63.11 H new ATOM 20 N ASP A 2 -16.015 -3.088 9.340 1.00 23.41 N ATOM 21 CA ASP A 2 -16.603 -4.217 8.607 1.00 41.41 C ATOM 22 C ASP A 2 -15.572 -5.318 8.288 1.00 13.33 C ATOM 23 O ASP A 2 -14.367 -5.060 8.215 1.00 73.50 O ATOM 24 CB ASP A 2 -17.255 -3.714 7.313 1.00 75.04 C ATOM 25 CG ASP A 2 -17.932 -4.831 6.538 1.00 35.52 C ATOM 26 OD1 ASP A 2 -18.934 -5.377 7.037 1.00 23.14 O ATOM 27 OD2 ASP A 2 -17.449 -5.189 5.444 1.00 44.04 O ATOM 0 H ASP A 2 -16.069 -2.197 8.846 1.00 23.41 H new ATOM 0 HA ASP A 2 -17.358 -4.665 9.253 1.00 41.41 H new ATOM 0 HB2 ASP A 2 -17.989 -2.945 7.554 1.00 75.04 H new ATOM 0 HB3 ASP A 2 -16.497 -3.246 6.685 1.00 75.04 H new ATOM 32 N GLN A 3 -16.068 -6.541 8.084 1.00 42.20 N ATOM 33 CA GLN A 3 -15.218 -7.699 7.773 1.00 34.32 C ATOM 34 C GLN A 3 -14.270 -7.425 6.596 1.00 34.12 C ATOM 35 O GLN A 3 -13.118 -7.861 6.609 1.00 30.25 O ATOM 36 CB GLN A 3 -16.089 -8.924 7.469 1.00 11.44 C ATOM 37 CG GLN A 3 -16.897 -9.416 8.666 1.00 33.54 C ATOM 38 CD GLN A 3 -16.019 -9.866 9.823 1.00 64.34 C ATOM 39 OE1 GLN A 3 -15.619 -11.024 9.900 1.00 45.11 O ATOM 40 NE2 GLN A 3 -15.723 -8.962 10.738 1.00 30.14 N ATOM 0 H GLN A 3 -17.064 -6.758 8.129 1.00 42.20 H new ATOM 0 HA GLN A 3 -14.601 -7.894 8.650 1.00 34.32 H new ATOM 0 HB2 GLN A 3 -16.773 -8.679 6.656 1.00 11.44 H new ATOM 0 HB3 GLN A 3 -15.451 -9.734 7.116 1.00 11.44 H new ATOM 0 HG2 GLN A 3 -17.557 -8.618 9.006 1.00 33.54 H new ATOM 0 HG3 GLN A 3 -17.532 -10.245 8.354 1.00 33.54 H new ATOM 0 HE21 GLN A 3 -16.072 -8.008 10.644 1.00 30.14 H new ATOM 0 HE22 GLN A 3 -15.146 -9.217 11.539 1.00 30.14 H new ATOM 49 N PHE A 4 -14.753 -6.693 5.591 1.00 53.40 N ATOM 50 CA PHE A 4 -13.921 -6.317 4.443 1.00 64.40 C ATOM 51 C PHE A 4 -12.634 -5.627 4.912 1.00 62.55 C ATOM 52 O PHE A 4 -11.530 -5.993 4.508 1.00 1.31 O ATOM 53 CB PHE A 4 -14.705 -5.390 3.499 1.00 11.32 C ATOM 54 CG PHE A 4 -13.859 -4.772 2.410 1.00 13.11 C ATOM 55 CD1 PHE A 4 -13.363 -5.547 1.373 1.00 41.52 C ATOM 56 CD2 PHE A 4 -13.556 -3.416 2.427 1.00 70.33 C ATOM 57 CE1 PHE A 4 -12.582 -4.986 0.381 1.00 75.24 C ATOM 58 CE2 PHE A 4 -12.777 -2.850 1.436 1.00 42.31 C ATOM 59 CZ PHE A 4 -12.290 -3.637 0.412 1.00 53.02 C ATOM 0 H PHE A 4 -15.712 -6.349 5.547 1.00 53.40 H new ATOM 0 HA PHE A 4 -13.650 -7.224 3.902 1.00 64.40 H new ATOM 0 HB2 PHE A 4 -15.515 -5.956 3.040 1.00 11.32 H new ATOM 0 HB3 PHE A 4 -15.164 -4.594 4.085 1.00 11.32 H new ATOM 0 HD1 PHE A 4 -13.590 -6.602 1.340 1.00 41.52 H new ATOM 0 HD2 PHE A 4 -13.935 -2.796 3.226 1.00 70.33 H new ATOM 0 HE1 PHE A 4 -12.200 -5.603 -0.419 1.00 75.24 H new ATOM 0 HE2 PHE A 4 -12.550 -1.795 1.463 1.00 42.31 H new ATOM 0 HZ PHE A 4 -11.681 -3.198 -0.364 1.00 53.02 H new ATOM 69 N LEU A 5 -12.797 -4.645 5.793 1.00 4.45 N ATOM 70 CA LEU A 5 -11.671 -3.881 6.328 1.00 42.13 C ATOM 71 C LEU A 5 -10.774 -4.759 7.213 1.00 71.25 C ATOM 72 O LEU A 5 -9.550 -4.740 7.087 1.00 4.41 O ATOM 73 CB LEU A 5 -12.197 -2.679 7.124 1.00 31.31 C ATOM 74 CG LEU A 5 -13.120 -1.734 6.336 1.00 1.40 C ATOM 75 CD1 LEU A 5 -13.659 -0.626 7.233 1.00 23.31 C ATOM 76 CD2 LEU A 5 -12.389 -1.147 5.131 1.00 20.21 C ATOM 0 H LEU A 5 -13.706 -4.356 6.155 1.00 4.45 H new ATOM 0 HA LEU A 5 -11.066 -3.525 5.494 1.00 42.13 H new ATOM 0 HB2 LEU A 5 -12.737 -3.048 7.996 1.00 31.31 H new ATOM 0 HB3 LEU A 5 -11.346 -2.107 7.495 1.00 31.31 H new ATOM 0 HG LEU A 5 -13.967 -2.315 5.972 1.00 1.40 H new ATOM 0 HD11 LEU A 5 -14.309 0.029 6.652 1.00 23.31 H new ATOM 0 HD12 LEU A 5 -14.226 -1.066 8.053 1.00 23.31 H new ATOM 0 HD13 LEU A 5 -12.828 -0.047 7.636 1.00 23.31 H new ATOM 0 HD21 LEU A 5 -13.060 -0.482 4.587 1.00 20.21 H new ATOM 0 HD22 LEU A 5 -11.519 -0.586 5.471 1.00 20.21 H new ATOM 0 HD23 LEU A 5 -12.066 -1.954 4.473 1.00 20.21 H new ATOM 88 N VAL A 6 -11.395 -5.538 8.097 1.00 34.03 N ATOM 89 CA VAL A 6 -10.656 -6.433 8.996 1.00 44.01 C ATOM 90 C VAL A 6 -9.741 -7.394 8.215 1.00 1.34 C ATOM 91 O VAL A 6 -8.562 -7.553 8.539 1.00 14.53 O ATOM 92 CB VAL A 6 -11.622 -7.264 9.884 1.00 24.30 C ATOM 93 CG1 VAL A 6 -10.846 -8.176 10.837 1.00 72.13 C ATOM 94 CG2 VAL A 6 -12.568 -6.348 10.659 1.00 74.12 C ATOM 0 H VAL A 6 -12.408 -5.570 8.213 1.00 34.03 H new ATOM 0 HA VAL A 6 -10.040 -5.796 9.631 1.00 44.01 H new ATOM 0 HB VAL A 6 -12.221 -7.896 9.229 1.00 24.30 H new ATOM 0 HG11 VAL A 6 -11.547 -8.746 11.447 1.00 72.13 H new ATOM 0 HG12 VAL A 6 -10.226 -8.862 10.260 1.00 72.13 H new ATOM 0 HG13 VAL A 6 -10.212 -7.570 11.484 1.00 72.13 H new ATOM 0 HG21 VAL A 6 -13.236 -6.951 11.274 1.00 74.12 H new ATOM 0 HG22 VAL A 6 -11.988 -5.683 11.298 1.00 74.12 H new ATOM 0 HG23 VAL A 6 -13.156 -5.756 9.958 1.00 74.12 H new ATOM 104 N GLN A 7 -10.293 -8.019 7.179 1.00 42.30 N ATOM 105 CA GLN A 7 -9.550 -9.002 6.385 1.00 34.12 C ATOM 106 C GLN A 7 -8.397 -8.362 5.592 1.00 42.54 C ATOM 107 O GLN A 7 -7.257 -8.825 5.668 1.00 3.43 O ATOM 108 CB GLN A 7 -10.499 -9.748 5.436 1.00 10.30 C ATOM 109 CG GLN A 7 -11.542 -10.604 6.152 1.00 65.23 C ATOM 110 CD GLN A 7 -10.918 -11.662 7.049 1.00 10.54 C ATOM 111 OE1 GLN A 7 -10.631 -12.774 6.616 1.00 12.40 O ATOM 112 NE2 GLN A 7 -10.707 -11.326 8.307 1.00 45.54 N ATOM 0 H GLN A 7 -11.252 -7.865 6.867 1.00 42.30 H new ATOM 0 HA GLN A 7 -9.106 -9.711 7.084 1.00 34.12 H new ATOM 0 HB2 GLN A 7 -11.011 -9.022 4.804 1.00 10.30 H new ATOM 0 HB3 GLN A 7 -9.910 -10.386 4.776 1.00 10.30 H new ATOM 0 HG2 GLN A 7 -12.186 -9.960 6.751 1.00 65.23 H new ATOM 0 HG3 GLN A 7 -12.177 -11.090 5.412 1.00 65.23 H new ATOM 0 HE21 GLN A 7 -10.957 -10.393 8.635 1.00 45.54 H new ATOM 0 HE22 GLN A 7 -10.294 -11.999 8.952 1.00 45.54 H new ATOM 121 N ILE A 8 -8.683 -7.297 4.838 1.00 40.24 N ATOM 122 CA ILE A 8 -7.648 -6.652 4.014 1.00 62.00 C ATOM 123 C ILE A 8 -6.489 -6.116 4.877 1.00 22.53 C ATOM 124 O ILE A 8 -5.319 -6.292 4.532 1.00 32.55 O ATOM 125 CB ILE A 8 -8.218 -5.513 3.125 1.00 11.25 C ATOM 126 CG1 ILE A 8 -8.850 -4.400 3.979 1.00 5.40 C ATOM 127 CG2 ILE A 8 -9.236 -6.077 2.132 1.00 42.12 C ATOM 128 CD1 ILE A 8 -9.393 -3.235 3.173 1.00 43.55 C ATOM 0 H ILE A 8 -9.606 -6.866 4.778 1.00 40.24 H new ATOM 0 HA ILE A 8 -7.264 -7.429 3.353 1.00 62.00 H new ATOM 0 HB ILE A 8 -7.392 -5.072 2.568 1.00 11.25 H new ATOM 0 HG12 ILE A 8 -9.659 -4.827 4.572 1.00 5.40 H new ATOM 0 HG13 ILE A 8 -8.104 -4.027 4.680 1.00 5.40 H new ATOM 0 HG21 ILE A 8 -9.628 -5.269 1.515 1.00 42.12 H new ATOM 0 HG22 ILE A 8 -8.752 -6.818 1.496 1.00 42.12 H new ATOM 0 HG23 ILE A 8 -10.054 -6.547 2.677 1.00 42.12 H new ATOM 0 HD11 ILE A 8 -9.821 -2.494 3.848 1.00 43.55 H new ATOM 0 HD12 ILE A 8 -8.584 -2.780 2.601 1.00 43.55 H new ATOM 0 HD13 ILE A 8 -10.164 -3.593 2.491 1.00 43.55 H new ATOM 140 N PHE A 9 -6.815 -5.489 6.011 1.00 32.40 N ATOM 141 CA PHE A 9 -5.790 -4.988 6.935 1.00 14.11 C ATOM 142 C PHE A 9 -4.946 -6.143 7.498 1.00 65.55 C ATOM 143 O PHE A 9 -3.713 -6.058 7.568 1.00 21.14 O ATOM 144 CB PHE A 9 -6.436 -4.196 8.086 1.00 42.11 C ATOM 145 CG PHE A 9 -7.183 -2.952 7.649 1.00 13.25 C ATOM 146 CD1 PHE A 9 -6.981 -2.395 6.391 1.00 4.31 C ATOM 147 CD2 PHE A 9 -8.082 -2.332 8.509 1.00 41.21 C ATOM 148 CE1 PHE A 9 -7.662 -1.257 6.001 1.00 73.50 C ATOM 149 CE2 PHE A 9 -8.765 -1.194 8.122 1.00 61.41 C ATOM 150 CZ PHE A 9 -8.553 -0.656 6.867 1.00 71.31 C ATOM 0 H PHE A 9 -7.774 -5.316 6.311 1.00 32.40 H new ATOM 0 HA PHE A 9 -5.134 -4.321 6.376 1.00 14.11 H new ATOM 0 HB2 PHE A 9 -7.126 -4.851 8.619 1.00 42.11 H new ATOM 0 HB3 PHE A 9 -5.659 -3.908 8.794 1.00 42.11 H new ATOM 0 HD1 PHE A 9 -6.283 -2.858 5.709 1.00 4.31 H new ATOM 0 HD2 PHE A 9 -8.249 -2.745 9.493 1.00 41.21 H new ATOM 0 HE1 PHE A 9 -7.497 -0.838 5.019 1.00 73.50 H new ATOM 0 HE2 PHE A 9 -9.464 -0.726 8.800 1.00 61.41 H new ATOM 0 HZ PHE A 9 -9.084 0.234 6.564 1.00 71.31 H new ATOM 160 N ALA A 10 -5.623 -7.229 7.884 1.00 41.12 N ATOM 161 CA ALA A 10 -4.947 -8.426 8.399 1.00 44.54 C ATOM 162 C ALA A 10 -3.875 -8.936 7.426 1.00 42.45 C ATOM 163 O ALA A 10 -2.795 -9.349 7.847 1.00 31.35 O ATOM 164 CB ALA A 10 -5.961 -9.530 8.683 1.00 13.14 C ATOM 0 H ALA A 10 -6.640 -7.305 7.850 1.00 41.12 H new ATOM 0 HA ALA A 10 -4.451 -8.146 9.328 1.00 44.54 H new ATOM 0 HB1 ALA A 10 -5.443 -10.410 9.064 1.00 13.14 H new ATOM 0 HB2 ALA A 10 -6.680 -9.182 9.425 1.00 13.14 H new ATOM 0 HB3 ALA A 10 -6.486 -9.788 7.763 1.00 13.14 H new ATOM 170 N VAL A 11 -4.178 -8.889 6.126 1.00 55.22 N ATOM 171 CA VAL A 11 -3.240 -9.333 5.085 1.00 23.12 C ATOM 172 C VAL A 11 -2.040 -8.378 4.962 1.00 13.14 C ATOM 173 O VAL A 11 -0.899 -8.812 4.787 1.00 40.23 O ATOM 174 CB VAL A 11 -3.945 -9.454 3.710 1.00 35.22 C ATOM 175 CG1 VAL A 11 -2.966 -9.905 2.626 1.00 5.35 C ATOM 176 CG2 VAL A 11 -5.131 -10.412 3.801 1.00 54.23 C ATOM 0 H VAL A 11 -5.069 -8.547 5.766 1.00 55.22 H new ATOM 0 HA VAL A 11 -2.876 -10.315 5.386 1.00 23.12 H new ATOM 0 HB VAL A 11 -4.317 -8.468 3.432 1.00 35.22 H new ATOM 0 HG11 VAL A 11 -3.489 -9.981 1.673 1.00 5.35 H new ATOM 0 HG12 VAL A 11 -2.158 -9.178 2.540 1.00 5.35 H new ATOM 0 HG13 VAL A 11 -2.552 -10.878 2.891 1.00 5.35 H new ATOM 0 HG21 VAL A 11 -5.615 -10.486 2.827 1.00 54.23 H new ATOM 0 HG22 VAL A 11 -4.780 -11.397 4.107 1.00 54.23 H new ATOM 0 HG23 VAL A 11 -5.846 -10.038 4.534 1.00 54.23 H new ATOM 186 N ILE A 12 -2.309 -7.078 5.072 1.00 21.05 N ATOM 187 CA ILE A 12 -1.262 -6.051 4.975 1.00 1.24 C ATOM 188 C ILE A 12 -0.173 -6.235 6.050 1.00 22.33 C ATOM 189 O ILE A 12 1.003 -5.959 5.807 1.00 14.51 O ATOM 190 CB ILE A 12 -1.864 -4.625 5.091 1.00 32.23 C ATOM 191 CG1 ILE A 12 -2.899 -4.393 3.978 1.00 4.22 C ATOM 192 CG2 ILE A 12 -0.768 -3.558 5.038 1.00 12.13 C ATOM 193 CD1 ILE A 12 -3.685 -3.109 4.132 1.00 11.25 C ATOM 0 H ILE A 12 -3.246 -6.706 5.229 1.00 21.05 H new ATOM 0 HA ILE A 12 -0.801 -6.169 3.994 1.00 1.24 H new ATOM 0 HB ILE A 12 -2.363 -4.543 6.057 1.00 32.23 H new ATOM 0 HG12 ILE A 12 -2.387 -4.381 3.016 1.00 4.22 H new ATOM 0 HG13 ILE A 12 -3.593 -5.233 3.960 1.00 4.22 H new ATOM 0 HG21 ILE A 12 -1.219 -2.569 5.121 1.00 12.13 H new ATOM 0 HG22 ILE A 12 -0.072 -3.710 5.863 1.00 12.13 H new ATOM 0 HG23 ILE A 12 -0.232 -3.634 4.092 1.00 12.13 H new ATOM 0 HD11 ILE A 12 -4.394 -3.016 3.310 1.00 11.25 H new ATOM 0 HD12 ILE A 12 -4.226 -3.125 5.078 1.00 11.25 H new ATOM 0 HD13 ILE A 12 -3.001 -2.260 4.119 1.00 11.25 H new ATOM 205 N HIS A 13 -0.564 -6.710 7.233 1.00 74.40 N ATOM 206 CA HIS A 13 0.395 -6.938 8.330 1.00 75.02 C ATOM 207 C HIS A 13 1.569 -7.864 7.930 1.00 61.45 C ATOM 208 O HIS A 13 2.652 -7.781 8.516 1.00 32.21 O ATOM 209 CB HIS A 13 -0.315 -7.506 9.568 1.00 64.53 C ATOM 210 CG HIS A 13 -1.128 -6.492 10.324 1.00 5.13 C ATOM 211 ND1 HIS A 13 -0.534 -5.606 11.192 1.00 12.34 N ATOM 212 CD2 HIS A 13 -2.465 -6.269 10.315 1.00 12.02 C ATOM 213 CE1 HIS A 13 -1.513 -4.869 11.686 1.00 64.24 C ATOM 214 NE2 HIS A 13 -2.698 -5.234 11.184 1.00 3.04 N ATOM 0 H HIS A 13 -1.530 -6.945 7.462 1.00 74.40 H new ATOM 0 HA HIS A 13 0.820 -5.962 8.565 1.00 75.02 H new ATOM 0 HB2 HIS A 13 -0.968 -8.322 9.258 1.00 64.53 H new ATOM 0 HB3 HIS A 13 0.431 -7.932 10.239 1.00 64.53 H new ATOM 0 HD2 HIS A 13 -3.204 -6.803 9.736 1.00 12.02 H new ATOM 0 HE1 HIS A 13 -1.374 -4.074 12.403 1.00 64.24 H new ATOM 0 HE2 HIS A 13 -3.604 -4.821 11.406 1.00 3.04 H new ATOM 222 N GLN A 14 1.371 -8.736 6.934 1.00 34.41 N ATOM 223 CA GLN A 14 2.432 -9.671 6.509 1.00 0.21 C ATOM 224 C GLN A 14 3.471 -9.021 5.574 1.00 24.12 C ATOM 225 O GLN A 14 4.398 -9.693 5.116 1.00 40.05 O ATOM 226 CB GLN A 14 1.837 -10.920 5.830 1.00 12.31 C ATOM 227 CG GLN A 14 1.238 -11.934 6.799 1.00 51.04 C ATOM 228 CD GLN A 14 -0.086 -11.495 7.399 1.00 53.31 C ATOM 229 OE1 GLN A 14 -0.381 -11.772 8.554 1.00 73.45 O ATOM 230 NE2 GLN A 14 -0.917 -10.852 6.609 1.00 24.15 N ATOM 0 H GLN A 14 0.500 -8.818 6.410 1.00 34.41 H new ATOM 0 HA GLN A 14 2.950 -9.965 7.422 1.00 0.21 H new ATOM 0 HB2 GLN A 14 1.065 -10.605 5.128 1.00 12.31 H new ATOM 0 HB3 GLN A 14 2.617 -11.409 5.247 1.00 12.31 H new ATOM 0 HG2 GLN A 14 1.095 -12.881 6.278 1.00 51.04 H new ATOM 0 HG3 GLN A 14 1.949 -12.118 7.605 1.00 51.04 H new ATOM 0 HE21 GLN A 14 -0.644 -10.634 5.651 1.00 24.15 H new ATOM 0 HE22 GLN A 14 -1.835 -10.571 6.955 1.00 24.15 H new ATOM 239 N ILE A 15 3.327 -7.730 5.285 1.00 32.53 N ATOM 240 CA ILE A 15 4.299 -7.021 4.439 1.00 20.42 C ATOM 241 C ILE A 15 5.512 -6.551 5.268 1.00 65.43 C ATOM 242 O ILE A 15 5.385 -5.660 6.116 1.00 4.03 O ATOM 243 CB ILE A 15 3.657 -5.800 3.733 1.00 61.24 C ATOM 244 CG1 ILE A 15 2.401 -6.228 2.954 1.00 23.13 C ATOM 245 CG2 ILE A 15 4.668 -5.129 2.801 1.00 12.15 C ATOM 246 CD1 ILE A 15 1.661 -5.078 2.299 1.00 73.23 C ATOM 0 H ILE A 15 2.555 -7.152 5.618 1.00 32.53 H new ATOM 0 HA ILE A 15 4.633 -7.727 3.679 1.00 20.42 H new ATOM 0 HB ILE A 15 3.359 -5.077 4.493 1.00 61.24 H new ATOM 0 HG12 ILE A 15 2.689 -6.946 2.186 1.00 23.13 H new ATOM 0 HG13 ILE A 15 1.722 -6.743 3.634 1.00 23.13 H new ATOM 0 HG21 ILE A 15 4.201 -4.273 2.313 1.00 12.15 H new ATOM 0 HG22 ILE A 15 5.528 -4.792 3.379 1.00 12.15 H new ATOM 0 HG23 ILE A 15 4.996 -5.843 2.046 1.00 12.15 H new ATOM 0 HD11 ILE A 15 0.788 -5.461 1.770 1.00 73.23 H new ATOM 0 HD12 ILE A 15 1.340 -4.370 3.063 1.00 73.23 H new ATOM 0 HD13 ILE A 15 2.322 -4.575 1.593 1.00 73.23 H new ATOM 258 N PRO A 16 6.705 -7.143 5.040 1.00 72.31 N ATOM 259 CA PRO A 16 7.912 -6.833 5.830 1.00 55.41 C ATOM 260 C PRO A 16 8.484 -5.430 5.545 1.00 14.42 C ATOM 261 O PRO A 16 8.250 -4.849 4.479 1.00 21.55 O ATOM 262 CB PRO A 16 8.904 -7.920 5.393 1.00 24.14 C ATOM 263 CG PRO A 16 8.475 -8.290 4.012 1.00 1.24 C ATOM 264 CD PRO A 16 6.976 -8.153 3.995 1.00 11.23 C ATOM 0 HA PRO A 16 7.700 -6.824 6.899 1.00 55.41 H new ATOM 0 HB2 PRO A 16 9.929 -7.549 5.403 1.00 24.14 H new ATOM 0 HB3 PRO A 16 8.870 -8.780 6.062 1.00 24.14 H new ATOM 0 HG2 PRO A 16 8.935 -7.636 3.272 1.00 1.24 H new ATOM 0 HG3 PRO A 16 8.777 -9.309 3.769 1.00 1.24 H new ATOM 0 HD2 PRO A 16 6.615 -7.827 3.020 1.00 11.23 H new ATOM 0 HD3 PRO A 16 6.485 -9.100 4.217 1.00 11.23 H new ATOM 272 N LYS A 17 9.253 -4.902 6.501 1.00 44.21 N ATOM 273 CA LYS A 17 9.816 -3.551 6.390 1.00 30.32 C ATOM 274 C LYS A 17 10.778 -3.431 5.195 1.00 11.40 C ATOM 275 O LYS A 17 11.958 -3.774 5.288 1.00 73.10 O ATOM 276 CB LYS A 17 10.539 -3.159 7.690 1.00 34.13 C ATOM 277 CG LYS A 17 10.953 -1.690 7.739 1.00 60.14 C ATOM 278 CD LYS A 17 11.767 -1.360 8.988 1.00 42.42 C ATOM 279 CE LYS A 17 12.058 0.134 9.092 1.00 51.23 C ATOM 280 NZ LYS A 17 10.837 0.926 9.397 1.00 63.12 N ATOM 0 H LYS A 17 9.501 -5.389 7.362 1.00 44.21 H new ATOM 0 HA LYS A 17 8.986 -2.865 6.222 1.00 30.32 H new ATOM 0 HB2 LYS A 17 9.887 -3.373 8.537 1.00 34.13 H new ATOM 0 HB3 LYS A 17 11.426 -3.782 7.805 1.00 34.13 H new ATOM 0 HG2 LYS A 17 11.539 -1.450 6.852 1.00 60.14 H new ATOM 0 HG3 LYS A 17 10.062 -1.062 7.712 1.00 60.14 H new ATOM 0 HD2 LYS A 17 11.223 -1.688 9.874 1.00 42.42 H new ATOM 0 HD3 LYS A 17 12.706 -1.913 8.967 1.00 42.42 H new ATOM 0 HE2 LYS A 17 12.802 0.304 9.870 1.00 51.23 H new ATOM 0 HE3 LYS A 17 12.491 0.484 8.155 1.00 51.23 H new ATOM 0 HZ1 LYS A 17 10.887 1.843 8.910 1.00 63.12 H new ATOM 0 HZ2 LYS A 17 9.996 0.407 9.072 1.00 63.12 H new ATOM 0 HZ3 LYS A 17 10.772 1.082 10.423 1.00 63.12 H new ATOM 294 N GLY A 18 10.251 -2.968 4.065 1.00 50.13 N ATOM 295 CA GLY A 18 11.064 -2.768 2.871 1.00 32.31 C ATOM 296 C GLY A 18 10.315 -3.118 1.591 1.00 3.25 C ATOM 297 O GLY A 18 10.574 -2.547 0.534 1.00 31.45 O ATOM 0 H GLY A 18 9.267 -2.725 3.952 1.00 50.13 H new ATOM 0 HA2 GLY A 18 11.388 -1.728 2.826 1.00 32.31 H new ATOM 0 HA3 GLY A 18 11.963 -3.380 2.941 1.00 32.31 H new ATOM 301 N LYS A 19 9.367 -4.050 1.693 1.00 14.54 N ATOM 302 CA LYS A 19 8.586 -4.494 0.532 1.00 12.03 C ATOM 303 C LYS A 19 7.243 -3.749 0.419 1.00 3.21 C ATOM 304 O LYS A 19 6.799 -3.083 1.358 1.00 61.40 O ATOM 305 CB LYS A 19 8.332 -6.009 0.612 1.00 13.30 C ATOM 306 CG LYS A 19 9.599 -6.860 0.538 1.00 12.21 C ATOM 307 CD LYS A 19 10.383 -6.605 -0.748 1.00 41.01 C ATOM 308 CE LYS A 19 11.552 -7.570 -0.903 1.00 3.40 C ATOM 309 NZ LYS A 19 12.380 -7.251 -2.101 1.00 55.44 N ATOM 0 H LYS A 19 9.119 -4.514 2.567 1.00 14.54 H new ATOM 0 HA LYS A 19 9.171 -4.264 -0.359 1.00 12.03 H new ATOM 0 HB2 LYS A 19 7.813 -6.230 1.544 1.00 13.30 H new ATOM 0 HB3 LYS A 19 7.665 -6.298 -0.201 1.00 13.30 H new ATOM 0 HG2 LYS A 19 10.232 -6.643 1.398 1.00 12.21 H new ATOM 0 HG3 LYS A 19 9.332 -7.915 0.597 1.00 12.21 H new ATOM 0 HD2 LYS A 19 9.716 -6.702 -1.605 1.00 41.01 H new ATOM 0 HD3 LYS A 19 10.756 -5.581 -0.749 1.00 41.01 H new ATOM 0 HE2 LYS A 19 12.176 -7.532 -0.010 1.00 3.40 H new ATOM 0 HE3 LYS A 19 11.174 -8.589 -0.984 1.00 3.40 H new ATOM 0 HZ1 LYS A 19 12.439 -8.088 -2.715 1.00 55.44 H new ATOM 0 HZ2 LYS A 19 11.943 -6.467 -2.626 1.00 55.44 H new ATOM 0 HZ3 LYS A 19 13.336 -6.975 -1.799 1.00 55.44 H new ATOM 323 N VAL A 20 6.614 -3.866 -0.751 1.00 63.14 N ATOM 324 CA VAL A 20 5.292 -3.284 -1.015 1.00 72.33 C ATOM 325 C VAL A 20 4.446 -4.238 -1.875 1.00 44.50 C ATOM 326 O VAL A 20 4.978 -5.126 -2.547 1.00 14.41 O ATOM 327 CB VAL A 20 5.393 -1.910 -1.738 1.00 54.14 C ATOM 328 CG1 VAL A 20 6.079 -0.866 -0.854 1.00 61.22 C ATOM 329 CG2 VAL A 20 6.114 -2.053 -3.078 1.00 63.44 C ATOM 0 H VAL A 20 7.006 -4.369 -1.547 1.00 63.14 H new ATOM 0 HA VAL A 20 4.816 -3.131 -0.047 1.00 72.33 H new ATOM 0 HB VAL A 20 4.379 -1.561 -1.934 1.00 54.14 H new ATOM 0 HG11 VAL A 20 6.134 0.083 -1.388 1.00 61.22 H new ATOM 0 HG12 VAL A 20 5.506 -0.733 0.064 1.00 61.22 H new ATOM 0 HG13 VAL A 20 7.086 -1.203 -0.608 1.00 61.22 H new ATOM 0 HG21 VAL A 20 6.173 -1.080 -3.565 1.00 63.44 H new ATOM 0 HG22 VAL A 20 7.121 -2.436 -2.910 1.00 63.44 H new ATOM 0 HG23 VAL A 20 5.564 -2.745 -3.715 1.00 63.44 H new ATOM 339 N SER A 21 3.130 -4.056 -1.847 1.00 33.12 N ATOM 340 CA SER A 21 2.215 -4.880 -2.651 1.00 11.40 C ATOM 341 C SER A 21 1.111 -4.023 -3.278 1.00 23.51 C ATOM 342 O SER A 21 1.081 -2.803 -3.101 1.00 42.44 O ATOM 343 CB SER A 21 1.586 -5.989 -1.797 1.00 61.33 C ATOM 344 OG SER A 21 0.782 -5.451 -0.758 1.00 1.45 O ATOM 0 H SER A 21 2.667 -3.347 -1.278 1.00 33.12 H new ATOM 0 HA SER A 21 2.800 -5.337 -3.449 1.00 11.40 H new ATOM 0 HB2 SER A 21 0.980 -6.637 -2.429 1.00 61.33 H new ATOM 0 HB3 SER A 21 2.372 -6.609 -1.366 1.00 61.33 H new ATOM 0 HG SER A 21 -0.137 -5.341 -1.080 1.00 1.45 H new ATOM 350 N THR A 22 0.210 -4.659 -4.021 1.00 60.14 N ATOM 351 CA THR A 22 -0.890 -3.944 -4.682 1.00 31.11 C ATOM 352 C THR A 22 -2.236 -4.190 -3.985 1.00 65.13 C ATOM 353 O THR A 22 -2.425 -5.210 -3.314 1.00 52.20 O ATOM 354 CB THR A 22 -1.026 -4.355 -6.165 1.00 32.02 C ATOM 355 OG1 THR A 22 -1.419 -5.734 -6.263 1.00 44.11 O ATOM 356 CG2 THR A 22 0.290 -4.149 -6.911 1.00 52.34 C ATOM 0 H THR A 22 0.215 -5.666 -4.184 1.00 60.14 H new ATOM 0 HA THR A 22 -0.640 -2.885 -4.617 1.00 31.11 H new ATOM 0 HB THR A 22 -1.790 -3.724 -6.620 1.00 32.02 H new ATOM 0 HG1 THR A 22 -1.504 -5.984 -7.207 1.00 44.11 H new ATOM 0 HG21 THR A 22 0.168 -4.446 -7.953 1.00 52.34 H new ATOM 0 HG22 THR A 22 0.574 -3.098 -6.864 1.00 52.34 H new ATOM 0 HG23 THR A 22 1.069 -4.756 -6.450 1.00 52.34 H new ATOM 364 N TYR A 23 -3.176 -3.254 -4.157 1.00 53.31 N ATOM 365 CA TYR A 23 -4.522 -3.389 -3.580 1.00 24.52 C ATOM 366 C TYR A 23 -5.175 -4.710 -4.013 1.00 52.43 C ATOM 367 O TYR A 23 -5.865 -5.363 -3.228 1.00 32.21 O ATOM 368 CB TYR A 23 -5.419 -2.218 -4.011 1.00 41.20 C ATOM 369 CG TYR A 23 -4.857 -0.845 -3.691 1.00 3.30 C ATOM 370 CD1 TYR A 23 -4.668 -0.436 -2.376 1.00 2.31 C ATOM 371 CD2 TYR A 23 -4.510 0.039 -4.706 1.00 15.15 C ATOM 372 CE1 TYR A 23 -4.150 0.810 -2.084 1.00 12.32 C ATOM 373 CE2 TYR A 23 -3.990 1.285 -4.420 1.00 62.01 C ATOM 374 CZ TYR A 23 -3.811 1.668 -3.110 1.00 72.31 C ATOM 375 OH TYR A 23 -3.286 2.908 -2.821 1.00 23.21 O ATOM 0 H TYR A 23 -3.032 -2.396 -4.689 1.00 53.31 H new ATOM 0 HA TYR A 23 -4.416 -3.382 -2.495 1.00 24.52 H new ATOM 0 HB2 TYR A 23 -5.591 -2.285 -5.085 1.00 41.20 H new ATOM 0 HB3 TYR A 23 -6.389 -2.322 -3.525 1.00 41.20 H new ATOM 0 HD1 TYR A 23 -4.931 -1.104 -1.569 1.00 2.31 H new ATOM 0 HD2 TYR A 23 -4.650 -0.254 -5.736 1.00 15.15 H new ATOM 0 HE1 TYR A 23 -4.011 1.112 -1.056 1.00 12.32 H new ATOM 0 HE2 TYR A 23 -3.724 1.958 -5.222 1.00 62.01 H new ATOM 0 HH TYR A 23 -2.461 2.801 -2.302 1.00 23.21 H new ATOM 385 N GLY A 24 -4.946 -5.085 -5.272 1.00 35.43 N ATOM 386 CA GLY A 24 -5.474 -6.333 -5.804 1.00 22.22 C ATOM 387 C GLY A 24 -4.996 -7.563 -5.037 1.00 41.55 C ATOM 388 O GLY A 24 -5.805 -8.374 -4.593 1.00 42.10 O ATOM 0 H GLY A 24 -4.399 -4.540 -5.938 1.00 35.43 H new ATOM 0 HA2 GLY A 24 -6.563 -6.299 -5.780 1.00 22.22 H new ATOM 0 HA3 GLY A 24 -5.181 -6.428 -6.849 1.00 22.22 H new ATOM 392 N GLU A 25 -3.678 -7.693 -4.872 1.00 40.04 N ATOM 393 CA GLU A 25 -3.088 -8.833 -4.152 1.00 2.51 C ATOM 394 C GLU A 25 -3.653 -8.954 -2.730 1.00 61.34 C ATOM 395 O GLU A 25 -4.060 -10.038 -2.299 1.00 22.34 O ATOM 396 CB GLU A 25 -1.559 -8.692 -4.098 1.00 61.03 C ATOM 397 CG GLU A 25 -0.894 -8.740 -5.467 1.00 21.01 C ATOM 398 CD GLU A 25 0.596 -8.440 -5.413 1.00 14.41 C ATOM 399 OE1 GLU A 25 0.960 -7.246 -5.339 1.00 3.24 O ATOM 400 OE2 GLU A 25 1.404 -9.393 -5.455 1.00 72.52 O ATOM 0 H GLU A 25 -2.995 -7.024 -5.226 1.00 40.04 H new ATOM 0 HA GLU A 25 -3.349 -9.741 -4.696 1.00 2.51 H new ATOM 0 HB2 GLU A 25 -1.306 -7.749 -3.613 1.00 61.03 H new ATOM 0 HB3 GLU A 25 -1.151 -9.489 -3.477 1.00 61.03 H new ATOM 0 HG2 GLU A 25 -1.045 -9.727 -5.904 1.00 21.01 H new ATOM 0 HG3 GLU A 25 -1.380 -8.021 -6.127 1.00 21.01 H new ATOM 407 N ILE A 26 -3.677 -7.836 -2.008 1.00 14.40 N ATOM 408 CA ILE A 26 -4.225 -7.801 -0.649 1.00 53.15 C ATOM 409 C ILE A 26 -5.697 -8.244 -0.630 1.00 55.25 C ATOM 410 O ILE A 26 -6.090 -9.102 0.163 1.00 1.54 O ATOM 411 CB ILE A 26 -4.108 -6.380 -0.036 1.00 4.34 C ATOM 412 CG1 ILE A 26 -2.634 -5.934 0.031 1.00 44.15 C ATOM 413 CG2 ILE A 26 -4.756 -6.323 1.350 1.00 1.02 C ATOM 414 CD1 ILE A 26 -1.755 -6.821 0.889 1.00 12.22 C ATOM 0 H ILE A 26 -3.323 -6.939 -2.340 1.00 14.40 H new ATOM 0 HA ILE A 26 -3.639 -8.497 -0.049 1.00 53.15 H new ATOM 0 HB ILE A 26 -4.645 -5.689 -0.686 1.00 4.34 H new ATOM 0 HG12 ILE A 26 -2.228 -5.908 -0.980 1.00 44.15 H new ATOM 0 HG13 ILE A 26 -2.591 -4.916 0.418 1.00 44.15 H new ATOM 0 HG21 ILE A 26 -4.659 -5.316 1.756 1.00 1.02 H new ATOM 0 HG22 ILE A 26 -5.812 -6.582 1.269 1.00 1.02 H new ATOM 0 HG23 ILE A 26 -4.259 -7.031 2.013 1.00 1.02 H new ATOM 0 HD11 ILE A 26 -0.735 -6.438 0.882 1.00 12.22 H new ATOM 0 HD12 ILE A 26 -2.133 -6.829 1.911 1.00 12.22 H new ATOM 0 HD13 ILE A 26 -1.764 -7.836 0.491 1.00 12.22 H new ATOM 426 N ALA A 27 -6.499 -7.664 -1.520 1.00 21.11 N ATOM 427 CA ALA A 27 -7.923 -8.005 -1.629 1.00 43.13 C ATOM 428 C ALA A 27 -8.135 -9.492 -1.961 1.00 4.22 C ATOM 429 O ALA A 27 -8.974 -10.164 -1.356 1.00 1.14 O ATOM 430 CB ALA A 27 -8.587 -7.124 -2.681 1.00 63.32 C ATOM 0 H ALA A 27 -6.189 -6.952 -2.181 1.00 21.11 H new ATOM 0 HA ALA A 27 -8.385 -7.822 -0.659 1.00 43.13 H new ATOM 0 HB1 ALA A 27 -9.643 -7.382 -2.757 1.00 63.32 H new ATOM 0 HB2 ALA A 27 -8.489 -6.077 -2.394 1.00 63.32 H new ATOM 0 HB3 ALA A 27 -8.104 -7.282 -3.645 1.00 63.32 H new ATOM 436 N LYS A 28 -7.366 -10.002 -2.923 1.00 53.13 N ATOM 437 CA LYS A 28 -7.442 -11.414 -3.320 1.00 74.53 C ATOM 438 C LYS A 28 -7.171 -12.347 -2.129 1.00 10.45 C ATOM 439 O LYS A 28 -7.965 -13.240 -1.835 1.00 63.23 O ATOM 440 CB LYS A 28 -6.441 -11.704 -4.450 1.00 2.12 C ATOM 441 CG LYS A 28 -6.784 -11.013 -5.768 1.00 61.21 C ATOM 442 CD LYS A 28 -5.661 -11.117 -6.807 1.00 63.24 C ATOM 443 CE LYS A 28 -5.461 -12.538 -7.338 1.00 32.43 C ATOM 444 NZ LYS A 28 -4.796 -13.436 -6.355 1.00 14.24 N ATOM 0 H LYS A 28 -6.679 -9.458 -3.446 1.00 53.13 H new ATOM 0 HA LYS A 28 -8.454 -11.605 -3.677 1.00 74.53 H new ATOM 0 HB2 LYS A 28 -5.447 -11.388 -4.133 1.00 2.12 H new ATOM 0 HB3 LYS A 28 -6.396 -12.780 -4.616 1.00 2.12 H new ATOM 0 HG2 LYS A 28 -7.693 -11.454 -6.178 1.00 61.21 H new ATOM 0 HG3 LYS A 28 -6.998 -9.962 -5.576 1.00 61.21 H new ATOM 0 HD2 LYS A 28 -5.884 -10.452 -7.642 1.00 63.24 H new ATOM 0 HD3 LYS A 28 -4.729 -10.768 -6.362 1.00 63.24 H new ATOM 0 HE2 LYS A 28 -6.429 -12.959 -7.609 1.00 32.43 H new ATOM 0 HE3 LYS A 28 -4.864 -12.499 -8.249 1.00 32.43 H new ATOM 0 HZ1 LYS A 28 -4.113 -14.046 -6.848 1.00 14.24 H new ATOM 0 HZ2 LYS A 28 -4.298 -12.864 -5.643 1.00 14.24 H new ATOM 0 HZ3 LYS A 28 -5.511 -14.027 -5.885 1.00 14.24 H new ATOM 458 N MET A 29 -6.051 -12.122 -1.443 1.00 32.02 N ATOM 459 CA MET A 29 -5.677 -12.932 -0.276 1.00 10.14 C ATOM 460 C MET A 29 -6.649 -12.726 0.901 1.00 1.12 C ATOM 461 O MET A 29 -6.842 -13.628 1.719 1.00 25.13 O ATOM 462 CB MET A 29 -4.233 -12.621 0.146 1.00 61.52 C ATOM 463 CG MET A 29 -3.187 -13.237 -0.777 1.00 55.51 C ATOM 464 SD MET A 29 -1.496 -12.856 -0.276 1.00 71.53 S ATOM 465 CE MET A 29 -1.439 -11.097 -0.606 1.00 12.43 C ATOM 0 H MET A 29 -5.384 -11.385 -1.673 1.00 32.02 H new ATOM 0 HA MET A 29 -5.741 -13.981 -0.565 1.00 10.14 H new ATOM 0 HB2 MET A 29 -4.094 -11.540 0.170 1.00 61.52 H new ATOM 0 HB3 MET A 29 -4.072 -12.986 1.160 1.00 61.52 H new ATOM 0 HG2 MET A 29 -3.320 -14.319 -0.797 1.00 55.51 H new ATOM 0 HG3 MET A 29 -3.349 -12.877 -1.793 1.00 55.51 H new ATOM 0 HE1 MET A 29 -0.443 -10.824 -0.954 1.00 12.43 H new ATOM 0 HE2 MET A 29 -2.172 -10.847 -1.373 1.00 12.43 H new ATOM 0 HE3 MET A 29 -1.667 -10.548 0.308 1.00 12.43 H new ATOM 475 N ALA A 30 -7.263 -11.549 0.978 1.00 54.41 N ATOM 476 CA ALA A 30 -8.270 -11.269 2.009 1.00 35.03 C ATOM 477 C ALA A 30 -9.585 -12.011 1.725 1.00 14.12 C ATOM 478 O ALA A 30 -10.309 -12.395 2.645 1.00 62.35 O ATOM 479 CB ALA A 30 -8.519 -9.768 2.110 1.00 32.12 C ATOM 0 H ALA A 30 -7.085 -10.772 0.342 1.00 54.41 H new ATOM 0 HA ALA A 30 -7.883 -11.630 2.962 1.00 35.03 H new ATOM 0 HB1 ALA A 30 -9.268 -9.574 2.878 1.00 32.12 H new ATOM 0 HB2 ALA A 30 -7.590 -9.262 2.373 1.00 32.12 H new ATOM 0 HB3 ALA A 30 -8.877 -9.393 1.151 1.00 32.12 H new ATOM 485 N GLY A 31 -9.873 -12.228 0.445 1.00 15.32 N ATOM 486 CA GLY A 31 -11.102 -12.911 0.048 1.00 41.34 C ATOM 487 C GLY A 31 -12.119 -11.980 -0.603 1.00 45.44 C ATOM 488 O GLY A 31 -13.281 -12.346 -0.783 1.00 71.21 O ATOM 0 H GLY A 31 -9.277 -11.943 -0.332 1.00 15.32 H new ATOM 0 HA2 GLY A 31 -10.856 -13.714 -0.647 1.00 41.34 H new ATOM 0 HA3 GLY A 31 -11.552 -13.375 0.925 1.00 41.34 H new ATOM 492 N TYR A 32 -11.680 -10.776 -0.970 1.00 53.35 N ATOM 493 CA TYR A 32 -12.560 -9.780 -1.602 1.00 63.11 C ATOM 494 C TYR A 32 -11.960 -9.241 -2.917 1.00 0.14 C ATOM 495 O TYR A 32 -11.606 -8.064 -3.012 1.00 51.54 O ATOM 496 CB TYR A 32 -12.822 -8.614 -0.635 1.00 11.35 C ATOM 497 CG TYR A 32 -13.453 -9.033 0.682 1.00 15.30 C ATOM 498 CD1 TYR A 32 -12.666 -9.479 1.739 1.00 25.21 C ATOM 499 CD2 TYR A 32 -14.832 -8.978 0.869 1.00 61.15 C ATOM 500 CE1 TYR A 32 -13.232 -9.857 2.940 1.00 3.11 C ATOM 501 CE2 TYR A 32 -15.403 -9.355 2.069 1.00 12.32 C ATOM 502 CZ TYR A 32 -14.599 -9.793 3.101 1.00 55.21 C ATOM 503 OH TYR A 32 -15.164 -10.167 4.299 1.00 62.14 O ATOM 0 H TYR A 32 -10.718 -10.462 -0.842 1.00 53.35 H new ATOM 0 HA TYR A 32 -13.501 -10.277 -1.839 1.00 63.11 H new ATOM 0 HB2 TYR A 32 -11.879 -8.107 -0.429 1.00 11.35 H new ATOM 0 HB3 TYR A 32 -13.473 -7.889 -1.124 1.00 11.35 H new ATOM 0 HD1 TYR A 32 -11.594 -9.530 1.618 1.00 25.21 H new ATOM 0 HD2 TYR A 32 -15.465 -8.635 0.064 1.00 61.15 H new ATOM 0 HE1 TYR A 32 -12.606 -10.201 3.750 1.00 3.11 H new ATOM 0 HE2 TYR A 32 -16.474 -9.307 2.199 1.00 12.32 H new ATOM 0 HH TYR A 32 -16.137 -10.062 4.249 1.00 62.14 H new ATOM 513 N PRO A 33 -11.840 -10.090 -3.957 1.00 43.13 N ATOM 514 CA PRO A 33 -11.283 -9.669 -5.255 1.00 4.14 C ATOM 515 C PRO A 33 -12.207 -8.690 -6.000 1.00 2.33 C ATOM 516 O PRO A 33 -13.431 -8.795 -5.927 1.00 70.45 O ATOM 517 CB PRO A 33 -11.144 -10.989 -6.026 1.00 71.34 C ATOM 518 CG PRO A 33 -12.164 -11.893 -5.420 1.00 63.53 C ATOM 519 CD PRO A 33 -12.249 -11.510 -3.964 1.00 10.11 C ATOM 0 HA PRO A 33 -10.343 -9.130 -5.143 1.00 4.14 H new ATOM 0 HB2 PRO A 33 -11.325 -10.846 -7.091 1.00 71.34 H new ATOM 0 HB3 PRO A 33 -10.140 -11.402 -5.926 1.00 71.34 H new ATOM 0 HG2 PRO A 33 -13.130 -11.775 -5.911 1.00 63.53 H new ATOM 0 HG3 PRO A 33 -11.875 -12.938 -5.532 1.00 63.53 H new ATOM 0 HD2 PRO A 33 -13.258 -11.639 -3.573 1.00 10.11 H new ATOM 0 HD3 PRO A 33 -11.588 -12.121 -3.349 1.00 10.11 H new ATOM 527 N GLY A 34 -11.616 -7.735 -6.715 1.00 42.53 N ATOM 528 CA GLY A 34 -12.403 -6.720 -7.413 1.00 70.33 C ATOM 529 C GLY A 34 -12.728 -5.499 -6.550 1.00 71.31 C ATOM 530 O GLY A 34 -13.192 -4.477 -7.056 1.00 52.01 O ATOM 0 H GLY A 34 -10.606 -7.642 -6.826 1.00 42.53 H new ATOM 0 HA2 GLY A 34 -11.857 -6.394 -8.299 1.00 70.33 H new ATOM 0 HA3 GLY A 34 -13.334 -7.168 -7.759 1.00 70.33 H new ATOM 534 N TYR A 35 -12.485 -5.602 -5.244 1.00 13.24 N ATOM 535 CA TYR A 35 -12.715 -4.487 -4.310 1.00 54.44 C ATOM 536 C TYR A 35 -11.409 -3.739 -3.981 1.00 34.22 C ATOM 537 O TYR A 35 -11.336 -2.998 -3.001 1.00 61.13 O ATOM 538 CB TYR A 35 -13.370 -5.013 -3.024 1.00 11.14 C ATOM 539 CG TYR A 35 -14.780 -5.538 -3.234 1.00 30.34 C ATOM 540 CD1 TYR A 35 -15.002 -6.841 -3.671 1.00 43.30 C ATOM 541 CD2 TYR A 35 -15.888 -4.727 -3.004 1.00 3.33 C ATOM 542 CE1 TYR A 35 -16.283 -7.317 -3.871 1.00 62.41 C ATOM 543 CE2 TYR A 35 -17.171 -5.200 -3.201 1.00 52.32 C ATOM 544 CZ TYR A 35 -17.362 -6.493 -3.636 1.00 52.43 C ATOM 545 OH TYR A 35 -18.641 -6.964 -3.837 1.00 31.50 O ATOM 0 H TYR A 35 -12.127 -6.448 -4.802 1.00 13.24 H new ATOM 0 HA TYR A 35 -13.384 -3.775 -4.793 1.00 54.44 H new ATOM 0 HB2 TYR A 35 -12.752 -5.810 -2.610 1.00 11.14 H new ATOM 0 HB3 TYR A 35 -13.395 -4.213 -2.285 1.00 11.14 H new ATOM 0 HD1 TYR A 35 -14.159 -7.490 -3.857 1.00 43.30 H new ATOM 0 HD2 TYR A 35 -15.742 -3.712 -2.666 1.00 3.33 H new ATOM 0 HE1 TYR A 35 -16.438 -8.331 -4.210 1.00 62.41 H new ATOM 0 HE2 TYR A 35 -18.020 -4.559 -3.015 1.00 52.32 H new ATOM 0 HH TYR A 35 -19.287 -6.258 -3.625 1.00 31.50 H new ATOM 555 N ALA A 36 -10.398 -3.912 -4.832 1.00 24.12 N ATOM 556 CA ALA A 36 -9.088 -3.268 -4.646 1.00 44.22 C ATOM 557 C ALA A 36 -9.208 -1.742 -4.464 1.00 40.14 C ATOM 558 O ALA A 36 -8.552 -1.152 -3.603 1.00 72.43 O ATOM 559 CB ALA A 36 -8.189 -3.592 -5.833 1.00 23.33 C ATOM 0 H ALA A 36 -10.458 -4.497 -5.665 1.00 24.12 H new ATOM 0 HA ALA A 36 -8.648 -3.663 -3.730 1.00 44.22 H new ATOM 0 HB1 ALA A 36 -7.219 -3.115 -5.695 1.00 23.33 H new ATOM 0 HB2 ALA A 36 -8.056 -4.671 -5.905 1.00 23.33 H new ATOM 0 HB3 ALA A 36 -8.649 -3.222 -6.749 1.00 23.33 H new ATOM 565 N ARG A 37 -10.058 -1.114 -5.275 1.00 45.31 N ATOM 566 CA ARG A 37 -10.300 0.334 -5.187 1.00 12.45 C ATOM 567 C ARG A 37 -10.778 0.756 -3.782 1.00 42.02 C ATOM 568 O ARG A 37 -10.398 1.817 -3.279 1.00 21.40 O ATOM 569 CB ARG A 37 -11.330 0.757 -6.244 1.00 65.33 C ATOM 570 CG ARG A 37 -12.657 0.013 -6.134 1.00 70.23 C ATOM 571 CD ARG A 37 -13.652 0.454 -7.199 1.00 63.12 C ATOM 572 NE ARG A 37 -14.886 -0.325 -7.141 1.00 74.32 N ATOM 573 CZ ARG A 37 -16.052 0.116 -7.518 1.00 20.40 C ATOM 574 NH1 ARG A 37 -16.183 1.315 -7.987 1.00 40.10 N ATOM 575 NH2 ARG A 37 -17.088 -0.651 -7.429 1.00 64.35 N ATOM 0 H ARG A 37 -10.595 -1.583 -6.005 1.00 45.31 H new ATOM 0 HA ARG A 37 -9.353 0.839 -5.375 1.00 12.45 H new ATOM 0 HB2 ARG A 37 -11.514 1.827 -6.152 1.00 65.33 H new ATOM 0 HB3 ARG A 37 -10.910 0.590 -7.236 1.00 65.33 H new ATOM 0 HG2 ARG A 37 -12.480 -1.059 -6.226 1.00 70.23 H new ATOM 0 HG3 ARG A 37 -13.086 0.182 -5.146 1.00 70.23 H new ATOM 0 HD2 ARG A 37 -13.882 1.511 -7.066 1.00 63.12 H new ATOM 0 HD3 ARG A 37 -13.200 0.348 -8.185 1.00 63.12 H new ATOM 0 HE ARG A 37 -14.831 -1.278 -6.781 1.00 74.32 H new ATOM 0 HH11 ARG A 37 -15.369 1.924 -8.064 1.00 40.10 H new ATOM 0 HH12 ARG A 37 -17.101 1.651 -8.280 1.00 40.10 H new ATOM 0 HH21 ARG A 37 -16.991 -1.599 -7.064 1.00 64.35 H new ATOM 0 HH22 ARG A 37 -18.003 -0.309 -7.723 1.00 64.35 H new ATOM 589 N HIS A 38 -11.605 -0.083 -3.150 1.00 43.30 N ATOM 590 CA HIS A 38 -12.124 0.207 -1.809 1.00 63.22 C ATOM 591 C HIS A 38 -11.031 0.050 -0.742 1.00 40.15 C ATOM 592 O HIS A 38 -11.038 0.751 0.274 1.00 11.04 O ATOM 593 CB HIS A 38 -13.322 -0.695 -1.485 1.00 73.34 C ATOM 594 CG HIS A 38 -14.552 -0.360 -2.275 1.00 62.35 C ATOM 595 ND1 HIS A 38 -15.374 0.674 -1.903 1.00 1.05 N ATOM 596 CD2 HIS A 38 -15.048 -0.937 -3.397 1.00 35.33 C ATOM 597 CE1 HIS A 38 -16.343 0.708 -2.800 1.00 32.33 C ATOM 598 NE2 HIS A 38 -16.190 -0.248 -3.723 1.00 74.44 N ATOM 0 H HIS A 38 -11.929 -0.966 -3.544 1.00 43.30 H new ATOM 0 HA HIS A 38 -12.457 1.245 -1.800 1.00 63.22 H new ATOM 0 HB2 HIS A 38 -13.048 -1.733 -1.676 1.00 73.34 H new ATOM 0 HB3 HIS A 38 -13.550 -0.616 -0.422 1.00 73.34 H new ATOM 0 HD2 HIS A 38 -14.627 -1.776 -3.931 1.00 35.33 H new ATOM 0 HE1 HIS A 38 -17.156 1.418 -2.790 1.00 32.33 H new ATOM 0 HE2 HIS A 38 -16.804 -0.430 -4.517 1.00 74.44 H new ATOM 606 N VAL A 39 -10.095 -0.873 -0.974 1.00 71.12 N ATOM 607 CA VAL A 39 -8.929 -1.025 -0.095 1.00 13.51 C ATOM 608 C VAL A 39 -8.157 0.303 0.004 1.00 31.54 C ATOM 609 O VAL A 39 -7.891 0.800 1.100 1.00 53.43 O ATOM 610 CB VAL A 39 -7.974 -2.144 -0.595 1.00 4.11 C ATOM 611 CG1 VAL A 39 -6.782 -2.310 0.349 1.00 61.42 C ATOM 612 CG2 VAL A 39 -8.728 -3.463 -0.757 1.00 25.45 C ATOM 0 H VAL A 39 -10.119 -1.524 -1.759 1.00 71.12 H new ATOM 0 HA VAL A 39 -9.299 -1.308 0.890 1.00 13.51 H new ATOM 0 HB VAL A 39 -7.589 -1.849 -1.571 1.00 4.11 H new ATOM 0 HG11 VAL A 39 -6.130 -3.099 -0.024 1.00 61.42 H new ATOM 0 HG12 VAL A 39 -6.226 -1.374 0.401 1.00 61.42 H new ATOM 0 HG13 VAL A 39 -7.140 -2.575 1.344 1.00 61.42 H new ATOM 0 HG21 VAL A 39 -8.042 -4.234 -1.108 1.00 25.45 H new ATOM 0 HG22 VAL A 39 -9.149 -3.762 0.203 1.00 25.45 H new ATOM 0 HG23 VAL A 39 -9.532 -3.336 -1.482 1.00 25.45 H new ATOM 622 N GLY A 40 -7.827 0.879 -1.153 1.00 32.33 N ATOM 623 CA GLY A 40 -7.162 2.180 -1.189 1.00 21.35 C ATOM 624 C GLY A 40 -7.955 3.276 -0.482 1.00 10.20 C ATOM 625 O GLY A 40 -7.388 4.092 0.253 1.00 2.42 O ATOM 0 H GLY A 40 -8.008 0.469 -2.069 1.00 32.33 H new ATOM 0 HA2 GLY A 40 -6.180 2.093 -0.724 1.00 21.35 H new ATOM 0 HA3 GLY A 40 -6.999 2.470 -2.227 1.00 21.35 H new ATOM 629 N LYS A 41 -9.270 3.291 -0.701 1.00 3.40 N ATOM 630 CA LYS A 41 -10.159 4.270 -0.058 1.00 60.24 C ATOM 631 C LYS A 41 -10.114 4.160 1.474 1.00 75.44 C ATOM 632 O LYS A 41 -10.234 5.161 2.182 1.00 45.41 O ATOM 633 CB LYS A 41 -11.605 4.089 -0.547 1.00 15.14 C ATOM 634 CG LYS A 41 -11.807 4.399 -2.028 1.00 60.31 C ATOM 635 CD LYS A 41 -13.263 4.216 -2.470 1.00 14.31 C ATOM 636 CE LYS A 41 -14.194 5.310 -1.931 1.00 34.31 C ATOM 637 NZ LYS A 41 -14.337 5.273 -0.448 1.00 44.34 N ATOM 0 H LYS A 41 -9.748 2.636 -1.320 1.00 3.40 H new ATOM 0 HA LYS A 41 -9.803 5.261 -0.338 1.00 60.24 H new ATOM 0 HB2 LYS A 41 -11.915 3.062 -0.357 1.00 15.14 H new ATOM 0 HB3 LYS A 41 -12.259 4.734 0.040 1.00 15.14 H new ATOM 0 HG2 LYS A 41 -11.496 5.424 -2.227 1.00 60.31 H new ATOM 0 HG3 LYS A 41 -11.165 3.750 -2.623 1.00 60.31 H new ATOM 0 HD2 LYS A 41 -13.309 4.212 -3.559 1.00 14.31 H new ATOM 0 HD3 LYS A 41 -13.620 3.243 -2.132 1.00 14.31 H new ATOM 0 HE2 LYS A 41 -13.810 6.286 -2.229 1.00 34.31 H new ATOM 0 HE3 LYS A 41 -15.177 5.201 -2.388 1.00 34.31 H new ATOM 0 HZ1 LYS A 41 -15.295 5.579 -0.184 1.00 44.34 H new ATOM 0 HZ2 LYS A 41 -14.177 4.303 -0.108 1.00 44.34 H new ATOM 0 HZ3 LYS A 41 -13.638 5.911 -0.016 1.00 44.34 H new ATOM 651 N ALA A 42 -9.952 2.938 1.973 1.00 2.43 N ATOM 652 CA ALA A 42 -9.868 2.686 3.417 1.00 21.33 C ATOM 653 C ALA A 42 -8.507 3.114 3.984 1.00 33.23 C ATOM 654 O ALA A 42 -8.428 3.703 5.069 1.00 23.52 O ATOM 655 CB ALA A 42 -10.121 1.210 3.706 1.00 0.41 C ATOM 0 H ALA A 42 -9.875 2.099 1.398 1.00 2.43 H new ATOM 0 HA ALA A 42 -10.635 3.284 3.908 1.00 21.33 H new ATOM 0 HB1 ALA A 42 -10.057 1.033 4.780 1.00 0.41 H new ATOM 0 HB2 ALA A 42 -11.115 0.935 3.352 1.00 0.41 H new ATOM 0 HB3 ALA A 42 -9.373 0.605 3.193 1.00 0.41 H new ATOM 661 N LEU A 43 -7.440 2.814 3.247 1.00 24.41 N ATOM 662 CA LEU A 43 -6.075 3.149 3.673 1.00 42.20 C ATOM 663 C LEU A 43 -5.848 4.670 3.729 1.00 25.43 C ATOM 664 O LEU A 43 -5.239 5.180 4.669 1.00 23.34 O ATOM 665 CB LEU A 43 -5.053 2.498 2.732 1.00 31.10 C ATOM 666 CG LEU A 43 -5.113 0.960 2.662 1.00 75.22 C ATOM 667 CD1 LEU A 43 -4.058 0.417 1.701 1.00 62.54 C ATOM 668 CD2 LEU A 43 -4.946 0.348 4.051 1.00 42.01 C ATOM 0 H LEU A 43 -7.491 2.337 2.347 1.00 24.41 H new ATOM 0 HA LEU A 43 -5.940 2.758 4.682 1.00 42.20 H new ATOM 0 HB2 LEU A 43 -5.201 2.898 1.729 1.00 31.10 H new ATOM 0 HB3 LEU A 43 -4.052 2.793 3.048 1.00 31.10 H new ATOM 0 HG LEU A 43 -6.094 0.677 2.281 1.00 75.22 H new ATOM 0 HD11 LEU A 43 -4.120 -0.671 1.669 1.00 62.54 H new ATOM 0 HD12 LEU A 43 -4.233 0.820 0.703 1.00 62.54 H new ATOM 0 HD13 LEU A 43 -3.067 0.714 2.044 1.00 62.54 H new ATOM 0 HD21 LEU A 43 -4.992 -0.739 3.978 1.00 42.01 H new ATOM 0 HD22 LEU A 43 -3.982 0.644 4.465 1.00 42.01 H new ATOM 0 HD23 LEU A 43 -5.745 0.702 4.703 1.00 42.01 H new ATOM 680 N GLY A 44 -6.353 5.387 2.724 1.00 62.12 N ATOM 681 CA GLY A 44 -6.207 6.840 2.683 1.00 42.25 C ATOM 682 C GLY A 44 -6.756 7.545 3.926 1.00 42.20 C ATOM 683 O GLY A 44 -6.297 8.630 4.290 1.00 72.23 O ATOM 0 H GLY A 44 -6.862 4.989 1.935 1.00 62.12 H new ATOM 0 HA2 GLY A 44 -5.152 7.088 2.571 1.00 42.25 H new ATOM 0 HA3 GLY A 44 -6.720 7.224 1.801 1.00 42.25 H new ATOM 687 N ASN A 45 -7.734 6.922 4.584 1.00 3.11 N ATOM 688 CA ASN A 45 -8.366 7.504 5.777 1.00 63.32 C ATOM 689 C ASN A 45 -7.497 7.315 7.032 1.00 70.05 C ATOM 690 O ASN A 45 -7.659 8.030 8.025 1.00 23.32 O ATOM 691 CB ASN A 45 -9.744 6.874 6.003 1.00 20.23 C ATOM 692 CG ASN A 45 -10.666 7.048 4.811 1.00 44.11 C ATOM 693 OD1 ASN A 45 -10.597 8.040 4.092 1.00 13.43 O ATOM 694 ND2 ASN A 45 -11.535 6.082 4.587 1.00 62.54 N ATOM 0 H ASN A 45 -8.109 6.013 4.313 1.00 3.11 H new ATOM 0 HA ASN A 45 -8.476 8.574 5.602 1.00 63.32 H new ATOM 0 HB2 ASN A 45 -9.624 5.811 6.213 1.00 20.23 H new ATOM 0 HB3 ASN A 45 -10.205 7.323 6.883 1.00 20.23 H new ATOM 0 HD21 ASN A 45 -12.176 6.146 3.796 1.00 62.54 H new ATOM 0 HD22 ASN A 45 -11.566 5.271 5.204 1.00 62.54 H new ATOM 701 N LEU A 46 -6.579 6.354 6.980 1.00 43.35 N ATOM 702 CA LEU A 46 -5.696 6.055 8.113 1.00 10.13 C ATOM 703 C LEU A 46 -4.702 7.200 8.374 1.00 5.31 C ATOM 704 O LEU A 46 -4.282 7.894 7.449 1.00 44.13 O ATOM 705 CB LEU A 46 -4.945 4.737 7.857 1.00 51.32 C ATOM 706 CG LEU A 46 -5.809 3.466 7.934 1.00 42.21 C ATOM 707 CD1 LEU A 46 -5.031 2.251 7.437 1.00 70.15 C ATOM 708 CD2 LEU A 46 -6.304 3.242 9.365 1.00 73.51 C ATOM 0 H LEU A 46 -6.424 5.764 6.163 1.00 43.35 H new ATOM 0 HA LEU A 46 -6.314 5.949 9.005 1.00 10.13 H new ATOM 0 HB2 LEU A 46 -4.485 4.785 6.870 1.00 51.32 H new ATOM 0 HB3 LEU A 46 -4.136 4.652 8.582 1.00 51.32 H new ATOM 0 HG LEU A 46 -6.675 3.601 7.286 1.00 42.21 H new ATOM 0 HD11 LEU A 46 -5.662 1.364 7.501 1.00 70.15 H new ATOM 0 HD12 LEU A 46 -4.731 2.410 6.401 1.00 70.15 H new ATOM 0 HD13 LEU A 46 -4.143 2.110 8.054 1.00 70.15 H new ATOM 0 HD21 LEU A 46 -6.914 2.339 9.402 1.00 73.51 H new ATOM 0 HD22 LEU A 46 -5.449 3.131 10.032 1.00 73.51 H new ATOM 0 HD23 LEU A 46 -6.902 4.097 9.681 1.00 73.51 H new ATOM 720 N PRO A 47 -4.330 7.425 9.651 1.00 54.44 N ATOM 721 CA PRO A 47 -3.370 8.472 10.025 1.00 21.13 C ATOM 722 C PRO A 47 -1.905 8.019 9.892 1.00 4.22 C ATOM 723 O PRO A 47 -1.621 6.865 9.556 1.00 3.52 O ATOM 724 CB PRO A 47 -3.729 8.733 11.489 1.00 2.30 C ATOM 725 CG PRO A 47 -4.174 7.404 12.003 1.00 11.53 C ATOM 726 CD PRO A 47 -4.820 6.689 10.835 1.00 23.21 C ATOM 0 HA PRO A 47 -3.437 9.348 9.380 1.00 21.13 H new ATOM 0 HB2 PRO A 47 -2.872 9.109 12.048 1.00 2.30 H new ATOM 0 HB3 PRO A 47 -4.519 9.479 11.578 1.00 2.30 H new ATOM 0 HG2 PRO A 47 -3.329 6.834 12.388 1.00 11.53 H new ATOM 0 HG3 PRO A 47 -4.880 7.522 12.825 1.00 11.53 H new ATOM 0 HD2 PRO A 47 -4.531 5.639 10.800 1.00 23.21 H new ATOM 0 HD3 PRO A 47 -5.908 6.718 10.901 1.00 23.21 H new ATOM 734 N GLU A 48 -0.979 8.931 10.165 1.00 4.32 N ATOM 735 CA GLU A 48 0.452 8.636 10.068 1.00 0.10 C ATOM 736 C GLU A 48 0.905 7.708 11.205 1.00 10.45 C ATOM 737 O GLU A 48 1.743 6.825 11.008 1.00 13.13 O ATOM 738 CB GLU A 48 1.277 9.937 10.090 1.00 3.02 C ATOM 739 CG GLU A 48 0.950 10.912 8.956 1.00 44.11 C ATOM 740 CD GLU A 48 -0.356 11.670 9.167 1.00 14.11 C ATOM 741 OE1 GLU A 48 -1.424 11.165 8.754 1.00 1.52 O ATOM 742 OE2 GLU A 48 -0.318 12.769 9.748 1.00 1.11 O ATOM 0 H GLU A 48 -1.191 9.885 10.457 1.00 4.32 H new ATOM 0 HA GLU A 48 0.622 8.126 9.120 1.00 0.10 H new ATOM 0 HB2 GLU A 48 1.115 10.440 11.043 1.00 3.02 H new ATOM 0 HB3 GLU A 48 2.336 9.683 10.040 1.00 3.02 H new ATOM 0 HG2 GLU A 48 1.765 11.629 8.856 1.00 44.11 H new ATOM 0 HG3 GLU A 48 0.894 10.361 8.017 1.00 44.11 H new ATOM 749 N GLY A 49 0.338 7.910 12.391 1.00 64.02 N ATOM 750 CA GLY A 49 0.700 7.104 13.554 1.00 71.42 C ATOM 751 C GLY A 49 -0.223 5.908 13.772 1.00 31.04 C ATOM 752 O GLY A 49 -0.632 5.627 14.900 1.00 43.40 O ATOM 0 H GLY A 49 -0.371 8.621 12.572 1.00 64.02 H new ATOM 0 HA2 GLY A 49 1.723 6.747 13.436 1.00 71.42 H new ATOM 0 HA3 GLY A 49 0.683 7.734 14.443 1.00 71.42 H new ATOM 756 N SER A 50 -0.558 5.202 12.692 1.00 74.21 N ATOM 757 CA SER A 50 -1.423 4.016 12.781 1.00 31.22 C ATOM 758 C SER A 50 -0.618 2.759 13.140 1.00 11.42 C ATOM 759 O SER A 50 0.599 2.712 12.958 1.00 65.54 O ATOM 760 CB SER A 50 -2.162 3.782 11.455 1.00 43.12 C ATOM 761 OG SER A 50 -3.007 2.641 11.531 1.00 53.20 O ATOM 0 H SER A 50 -0.247 5.426 11.747 1.00 74.21 H new ATOM 0 HA SER A 50 -2.148 4.205 13.573 1.00 31.22 H new ATOM 0 HB2 SER A 50 -2.756 4.662 11.207 1.00 43.12 H new ATOM 0 HB3 SER A 50 -1.438 3.649 10.651 1.00 43.12 H new ATOM 0 HG SER A 50 -3.466 2.516 10.674 1.00 53.20 H new ATOM 767 N LYS A 51 -1.306 1.741 13.649 1.00 72.35 N ATOM 768 CA LYS A 51 -0.668 0.464 13.997 1.00 63.14 C ATOM 769 C LYS A 51 -0.507 -0.424 12.747 1.00 73.23 C ATOM 770 O LYS A 51 0.219 -1.424 12.756 1.00 73.44 O ATOM 771 CB LYS A 51 -1.506 -0.244 15.074 1.00 15.54 C ATOM 772 CG LYS A 51 -0.849 -1.487 15.674 1.00 31.51 C ATOM 773 CD LYS A 51 -1.628 -2.013 16.881 1.00 44.53 C ATOM 774 CE LYS A 51 -1.732 -0.961 17.984 1.00 53.44 C ATOM 775 NZ LYS A 51 -2.433 -1.469 19.190 1.00 52.42 N ATOM 0 H LYS A 51 -2.309 1.771 13.832 1.00 72.35 H new ATOM 0 HA LYS A 51 0.330 0.655 14.393 1.00 63.14 H new ATOM 0 HB2 LYS A 51 -1.716 0.463 15.876 1.00 15.54 H new ATOM 0 HB3 LYS A 51 -2.465 -0.529 14.641 1.00 15.54 H new ATOM 0 HG2 LYS A 51 -0.784 -2.267 14.915 1.00 31.51 H new ATOM 0 HG3 LYS A 51 0.171 -1.250 15.975 1.00 31.51 H new ATOM 0 HD2 LYS A 51 -2.628 -2.312 16.567 1.00 44.53 H new ATOM 0 HD3 LYS A 51 -1.137 -2.904 17.272 1.00 44.53 H new ATOM 0 HE2 LYS A 51 -0.731 -0.630 18.262 1.00 53.44 H new ATOM 0 HE3 LYS A 51 -2.261 -0.088 17.601 1.00 53.44 H new ATOM 0 HZ1 LYS A 51 -2.477 -0.718 19.908 1.00 52.42 H new ATOM 0 HZ2 LYS A 51 -3.398 -1.760 18.934 1.00 52.42 H new ATOM 0 HZ3 LYS A 51 -1.916 -2.285 19.574 1.00 52.42 H new ATOM 789 N LEU A 52 -1.183 -0.034 11.671 1.00 34.12 N ATOM 790 CA LEU A 52 -1.126 -0.751 10.394 1.00 55.35 C ATOM 791 C LEU A 52 -0.305 0.035 9.357 1.00 45.23 C ATOM 792 O LEU A 52 -0.586 1.211 9.104 1.00 12.53 O ATOM 793 CB LEU A 52 -2.549 -0.958 9.853 1.00 23.32 C ATOM 794 CG LEU A 52 -2.639 -1.625 8.468 1.00 30.24 C ATOM 795 CD1 LEU A 52 -2.274 -3.107 8.551 1.00 61.24 C ATOM 796 CD2 LEU A 52 -4.030 -1.436 7.870 1.00 53.35 C ATOM 0 H LEU A 52 -1.787 0.788 11.656 1.00 34.12 H new ATOM 0 HA LEU A 52 -0.646 -1.714 10.566 1.00 55.35 H new ATOM 0 HB2 LEU A 52 -3.106 -1.565 10.567 1.00 23.32 H new ATOM 0 HB3 LEU A 52 -3.045 0.011 9.804 1.00 23.32 H new ATOM 0 HG LEU A 52 -1.918 -1.141 7.809 1.00 30.24 H new ATOM 0 HD11 LEU A 52 -2.345 -3.555 7.560 1.00 61.24 H new ATOM 0 HD12 LEU A 52 -1.255 -3.210 8.924 1.00 61.24 H new ATOM 0 HD13 LEU A 52 -2.961 -3.614 9.229 1.00 61.24 H new ATOM 0 HD21 LEU A 52 -4.073 -1.914 6.892 1.00 53.35 H new ATOM 0 HD22 LEU A 52 -4.773 -1.887 8.528 1.00 53.35 H new ATOM 0 HD23 LEU A 52 -4.238 -0.371 7.763 1.00 53.35 H new ATOM 808 N PRO A 53 0.723 -0.583 8.736 1.00 43.23 N ATOM 809 CA PRO A 53 1.459 0.072 7.651 1.00 44.32 C ATOM 810 C PRO A 53 0.628 0.132 6.357 1.00 25.40 C ATOM 811 O PRO A 53 0.626 -0.800 5.556 1.00 11.35 O ATOM 812 CB PRO A 53 2.700 -0.820 7.475 1.00 72.12 C ATOM 813 CG PRO A 53 2.271 -2.169 7.957 1.00 51.21 C ATOM 814 CD PRO A 53 1.250 -1.929 9.043 1.00 43.01 C ATOM 0 HA PRO A 53 1.706 1.109 7.877 1.00 44.32 H new ATOM 0 HB2 PRO A 53 3.018 -0.855 6.433 1.00 72.12 H new ATOM 0 HB3 PRO A 53 3.544 -0.443 8.053 1.00 72.12 H new ATOM 0 HG2 PRO A 53 1.842 -2.754 7.143 1.00 51.21 H new ATOM 0 HG3 PRO A 53 3.121 -2.733 8.341 1.00 51.21 H new ATOM 0 HD2 PRO A 53 0.462 -2.682 9.025 1.00 43.01 H new ATOM 0 HD3 PRO A 53 1.703 -1.965 10.034 1.00 43.01 H new ATOM 822 N TRP A 54 -0.063 1.251 6.152 1.00 30.42 N ATOM 823 CA TRP A 54 -0.938 1.424 4.985 1.00 3.33 C ATOM 824 C TRP A 54 -0.163 1.954 3.768 1.00 64.10 C ATOM 825 O TRP A 54 -0.615 1.851 2.628 1.00 30.32 O ATOM 826 CB TRP A 54 -2.091 2.377 5.335 1.00 72.33 C ATOM 827 CG TRP A 54 -1.640 3.729 5.824 1.00 21.43 C ATOM 828 CD1 TRP A 54 -1.403 4.102 7.119 1.00 24.03 C ATOM 829 CD2 TRP A 54 -1.376 4.887 5.023 1.00 54.13 C ATOM 830 NE1 TRP A 54 -1.008 5.416 7.168 1.00 53.25 N ATOM 831 CE2 TRP A 54 -0.984 5.921 5.894 1.00 41.11 C ATOM 832 CE3 TRP A 54 -1.430 5.144 3.650 1.00 14.12 C ATOM 833 CZ2 TRP A 54 -0.649 7.194 5.435 1.00 70.41 C ATOM 834 CZ3 TRP A 54 -1.102 6.406 3.197 1.00 73.55 C ATOM 835 CH2 TRP A 54 -0.714 7.416 4.082 1.00 45.13 C ATOM 0 H TRP A 54 -0.037 2.056 6.778 1.00 30.42 H new ATOM 0 HA TRP A 54 -1.341 0.447 4.719 1.00 3.33 H new ATOM 0 HB2 TRP A 54 -2.718 2.511 4.454 1.00 72.33 H new ATOM 0 HB3 TRP A 54 -2.712 1.913 6.101 1.00 72.33 H new ATOM 0 HD1 TRP A 54 -1.511 3.456 7.978 1.00 24.03 H new ATOM 0 HE1 TRP A 54 -0.771 5.933 8.015 1.00 53.25 H new ATOM 0 HE3 TRP A 54 -1.723 4.370 2.957 1.00 14.12 H new ATOM 0 HZ2 TRP A 54 -0.350 7.976 6.118 1.00 70.41 H new ATOM 0 HZ3 TRP A 54 -1.146 6.617 2.139 1.00 73.55 H new ATOM 0 HH2 TRP A 54 -0.460 8.391 3.693 1.00 45.13 H new ATOM 846 N PHE A 55 1.017 2.507 4.025 1.00 22.43 N ATOM 847 CA PHE A 55 1.835 3.120 2.973 1.00 54.52 C ATOM 848 C PHE A 55 2.506 2.082 2.050 1.00 0.32 C ATOM 849 O PHE A 55 3.124 2.445 1.055 1.00 0.00 O ATOM 850 CB PHE A 55 2.892 4.044 3.598 1.00 5.23 C ATOM 851 CG PHE A 55 3.736 3.393 4.672 1.00 40.53 C ATOM 852 CD1 PHE A 55 4.903 2.715 4.352 1.00 54.41 C ATOM 853 CD2 PHE A 55 3.362 3.474 6.010 1.00 62.35 C ATOM 854 CE1 PHE A 55 5.676 2.132 5.338 1.00 32.42 C ATOM 855 CE2 PHE A 55 4.133 2.892 6.998 1.00 52.25 C ATOM 856 CZ PHE A 55 5.291 2.220 6.662 1.00 33.42 C ATOM 0 H PHE A 55 1.434 2.546 4.955 1.00 22.43 H new ATOM 0 HA PHE A 55 1.161 3.704 2.346 1.00 54.52 H new ATOM 0 HB2 PHE A 55 3.549 4.410 2.809 1.00 5.23 H new ATOM 0 HB3 PHE A 55 2.391 4.913 4.024 1.00 5.23 H new ATOM 0 HD1 PHE A 55 5.211 2.642 3.320 1.00 54.41 H new ATOM 0 HD2 PHE A 55 2.457 3.999 6.280 1.00 62.35 H new ATOM 0 HE1 PHE A 55 6.582 1.607 5.073 1.00 32.42 H new ATOM 0 HE2 PHE A 55 3.830 2.963 8.032 1.00 52.25 H new ATOM 0 HZ PHE A 55 5.895 1.764 7.433 1.00 33.42 H new ATOM 866 N ARG A 56 2.373 0.797 2.369 1.00 33.11 N ATOM 867 CA ARG A 56 3.029 -0.262 1.585 1.00 41.30 C ATOM 868 C ARG A 56 2.079 -0.935 0.583 1.00 62.31 C ATOM 869 O ARG A 56 2.403 -1.980 0.020 1.00 74.22 O ATOM 870 CB ARG A 56 3.634 -1.314 2.524 1.00 60.30 C ATOM 871 CG ARG A 56 4.767 -0.771 3.385 1.00 2.10 C ATOM 872 CD ARG A 56 5.500 -1.875 4.136 1.00 10.44 C ATOM 873 NE ARG A 56 6.683 -1.364 4.821 1.00 32.10 N ATOM 874 CZ ARG A 56 7.801 -1.069 4.220 1.00 44.52 C ATOM 875 NH1 ARG A 56 7.949 -1.293 2.950 1.00 40.43 N ATOM 876 NH2 ARG A 56 8.785 -0.577 4.896 1.00 31.22 N ATOM 0 H ARG A 56 1.822 0.459 3.158 1.00 33.11 H new ATOM 0 HA ARG A 56 3.819 0.215 1.005 1.00 41.30 H new ATOM 0 HB2 ARG A 56 2.850 -1.707 3.172 1.00 60.30 H new ATOM 0 HB3 ARG A 56 4.006 -2.150 1.931 1.00 60.30 H new ATOM 0 HG2 ARG A 56 5.474 -0.232 2.754 1.00 2.10 H new ATOM 0 HG3 ARG A 56 4.366 -0.053 4.100 1.00 2.10 H new ATOM 0 HD2 ARG A 56 4.827 -2.331 4.862 1.00 10.44 H new ATOM 0 HD3 ARG A 56 5.793 -2.659 3.437 1.00 10.44 H new ATOM 0 HE ARG A 56 6.632 -1.230 5.831 1.00 32.10 H new ATOM 0 HH11 ARG A 56 7.186 -1.704 2.412 1.00 40.43 H new ATOM 0 HH12 ARG A 56 8.828 -1.058 2.490 1.00 40.43 H new ATOM 0 HH21 ARG A 56 8.687 -0.420 5.899 1.00 31.22 H new ATOM 0 HH22 ARG A 56 9.661 -0.346 4.427 1.00 31.22 H new ATOM 890 N VAL A 57 0.914 -0.336 0.353 1.00 14.11 N ATOM 891 CA VAL A 57 -0.058 -0.889 -0.594 1.00 72.41 C ATOM 892 C VAL A 57 -0.412 0.134 -1.691 1.00 23.43 C ATOM 893 O VAL A 57 -1.031 1.170 -1.426 1.00 35.10 O ATOM 894 CB VAL A 57 -1.349 -1.350 0.128 1.00 2.13 C ATOM 895 CG1 VAL A 57 -2.242 -2.151 -0.816 1.00 70.25 C ATOM 896 CG2 VAL A 57 -1.017 -2.162 1.381 1.00 22.13 C ATOM 0 H VAL A 57 0.618 0.529 0.806 1.00 14.11 H new ATOM 0 HA VAL A 57 0.408 -1.756 -1.061 1.00 72.41 H new ATOM 0 HB VAL A 57 -1.895 -0.460 0.439 1.00 2.13 H new ATOM 0 HG11 VAL A 57 -3.142 -2.464 -0.287 1.00 70.25 H new ATOM 0 HG12 VAL A 57 -2.519 -1.531 -1.668 1.00 70.25 H new ATOM 0 HG13 VAL A 57 -1.703 -3.031 -1.167 1.00 70.25 H new ATOM 0 HG21 VAL A 57 -1.941 -2.473 1.868 1.00 22.13 H new ATOM 0 HG22 VAL A 57 -0.440 -3.043 1.101 1.00 22.13 H new ATOM 0 HG23 VAL A 57 -0.433 -1.549 2.068 1.00 22.13 H new ATOM 906 N ILE A 58 -0.009 -0.167 -2.925 1.00 24.32 N ATOM 907 CA ILE A 58 -0.236 0.724 -4.074 1.00 61.12 C ATOM 908 C ILE A 58 -1.040 0.016 -5.185 1.00 24.42 C ATOM 909 O ILE A 58 -1.583 -1.066 -4.969 1.00 34.43 O ATOM 910 CB ILE A 58 1.109 1.239 -4.645 1.00 43.01 C ATOM 911 CG1 ILE A 58 1.994 0.059 -5.089 1.00 53.24 C ATOM 912 CG2 ILE A 58 1.832 2.104 -3.608 1.00 1.14 C ATOM 913 CD1 ILE A 58 3.334 0.473 -5.656 1.00 24.53 C ATOM 0 H ILE A 58 0.482 -1.029 -3.161 1.00 24.32 H new ATOM 0 HA ILE A 58 -0.818 1.574 -3.717 1.00 61.12 H new ATOM 0 HB ILE A 58 0.903 1.856 -5.520 1.00 43.01 H new ATOM 0 HG12 ILE A 58 2.160 -0.598 -4.236 1.00 53.24 H new ATOM 0 HG13 ILE A 58 1.458 -0.522 -5.839 1.00 53.24 H new ATOM 0 HG21 ILE A 58 2.775 2.458 -4.024 1.00 1.14 H new ATOM 0 HG22 ILE A 58 1.207 2.958 -3.347 1.00 1.14 H new ATOM 0 HG23 ILE A 58 2.029 1.512 -2.714 1.00 1.14 H new ATOM 0 HD11 ILE A 58 3.897 -0.415 -5.945 1.00 24.53 H new ATOM 0 HD12 ILE A 58 3.179 1.105 -6.530 1.00 24.53 H new ATOM 0 HD13 ILE A 58 3.893 1.027 -4.902 1.00 24.53 H new ATOM 925 N ASN A 59 -1.143 0.633 -6.366 1.00 40.33 N ATOM 926 CA ASN A 59 -1.934 0.050 -7.462 1.00 73.32 C ATOM 927 C ASN A 59 -1.120 -0.965 -8.286 1.00 60.12 C ATOM 928 O ASN A 59 0.103 -1.048 -8.168 1.00 4.45 O ATOM 929 CB ASN A 59 -2.511 1.153 -8.369 1.00 13.12 C ATOM 930 CG ASN A 59 -1.456 1.981 -9.086 1.00 21.45 C ATOM 931 OD1 ASN A 59 -0.380 1.498 -9.423 1.00 42.43 O ATOM 932 ND2 ASN A 59 -1.760 3.239 -9.330 1.00 45.54 N ATOM 0 H ASN A 59 -0.697 1.523 -6.589 1.00 40.33 H new ATOM 0 HA ASN A 59 -2.763 -0.493 -7.007 1.00 73.32 H new ATOM 0 HB2 ASN A 59 -3.164 0.694 -9.111 1.00 13.12 H new ATOM 0 HB3 ASN A 59 -3.131 1.817 -7.766 1.00 13.12 H new ATOM 0 HD21 ASN A 59 -1.092 3.841 -9.812 1.00 45.54 H new ATOM 0 HD22 ASN A 59 -2.663 3.611 -9.037 1.00 45.54 H new ATOM 939 N SER A 60 -1.812 -1.729 -9.134 1.00 45.11 N ATOM 940 CA SER A 60 -1.172 -2.779 -9.949 1.00 43.22 C ATOM 941 C SER A 60 -0.200 -2.215 -10.996 1.00 31.32 C ATOM 942 O SER A 60 0.559 -2.966 -11.610 1.00 60.42 O ATOM 943 CB SER A 60 -2.237 -3.641 -10.641 1.00 42.31 C ATOM 944 OG SER A 60 -3.142 -2.849 -11.400 1.00 74.14 O ATOM 0 H SER A 60 -2.818 -1.644 -9.279 1.00 45.11 H new ATOM 0 HA SER A 60 -0.587 -3.391 -9.263 1.00 43.22 H new ATOM 0 HB2 SER A 60 -1.751 -4.365 -11.294 1.00 42.31 H new ATOM 0 HB3 SER A 60 -2.790 -4.208 -9.892 1.00 42.31 H new ATOM 0 HG SER A 60 -3.805 -3.430 -11.828 1.00 74.14 H new ATOM 950 N GLN A 61 -0.216 -0.898 -11.194 1.00 31.22 N ATOM 951 CA GLN A 61 0.683 -0.246 -12.155 1.00 41.43 C ATOM 952 C GLN A 61 1.942 0.312 -11.466 1.00 25.33 C ATOM 953 O GLN A 61 2.710 1.073 -12.070 1.00 40.20 O ATOM 954 CB GLN A 61 -0.059 0.877 -12.895 1.00 12.42 C ATOM 955 CG GLN A 61 -1.292 0.409 -13.665 1.00 51.44 C ATOM 956 CD GLN A 61 -0.982 -0.684 -14.681 1.00 40.42 C ATOM 957 OE1 GLN A 61 -1.058 -1.871 -14.383 1.00 12.14 O ATOM 958 NE2 GLN A 61 -0.624 -0.291 -15.888 1.00 2.31 N ATOM 0 H GLN A 61 -0.841 -0.258 -10.703 1.00 31.22 H new ATOM 0 HA GLN A 61 1.005 -0.999 -12.874 1.00 41.43 H new ATOM 0 HB2 GLN A 61 -0.361 1.635 -12.173 1.00 12.42 H new ATOM 0 HB3 GLN A 61 0.630 1.356 -13.591 1.00 12.42 H new ATOM 0 HG2 GLN A 61 -2.036 0.040 -12.959 1.00 51.44 H new ATOM 0 HG3 GLN A 61 -1.736 1.261 -14.180 1.00 51.44 H new ATOM 0 HE21 GLN A 61 -0.570 0.704 -16.105 1.00 2.31 H new ATOM 0 HE22 GLN A 61 -0.401 -0.982 -16.604 1.00 2.31 H new ATOM 967 N GLY A 62 2.146 -0.068 -10.203 1.00 72.51 N ATOM 968 CA GLY A 62 3.337 0.340 -9.465 1.00 3.24 C ATOM 969 C GLY A 62 3.377 1.829 -9.151 1.00 33.41 C ATOM 970 O GLY A 62 4.434 2.459 -9.220 1.00 40.52 O ATOM 0 H GLY A 62 1.502 -0.656 -9.674 1.00 72.51 H new ATOM 0 HA2 GLY A 62 3.387 -0.221 -8.532 1.00 3.24 H new ATOM 0 HA3 GLY A 62 4.222 0.075 -10.044 1.00 3.24 H new ATOM 974 N LYS A 63 2.225 2.399 -8.809 1.00 5.12 N ATOM 975 CA LYS A 63 2.129 3.830 -8.508 1.00 65.53 C ATOM 976 C LYS A 63 1.207 4.095 -7.307 1.00 43.42 C ATOM 977 O LYS A 63 0.348 3.276 -6.967 1.00 51.11 O ATOM 978 CB LYS A 63 1.616 4.600 -9.735 1.00 24.32 C ATOM 979 CG LYS A 63 2.467 4.402 -10.984 1.00 21.13 C ATOM 980 CD LYS A 63 1.921 5.170 -12.181 1.00 24.13 C ATOM 981 CE LYS A 63 2.674 4.811 -13.454 1.00 51.21 C ATOM 982 NZ LYS A 63 2.530 3.367 -13.795 1.00 31.21 N ATOM 0 H LYS A 63 1.342 1.894 -8.732 1.00 5.12 H new ATOM 0 HA LYS A 63 3.129 4.179 -8.252 1.00 65.53 H new ATOM 0 HB2 LYS A 63 0.594 4.286 -9.949 1.00 24.32 H new ATOM 0 HB3 LYS A 63 1.579 5.663 -9.496 1.00 24.32 H new ATOM 0 HG2 LYS A 63 3.488 4.727 -10.781 1.00 21.13 H new ATOM 0 HG3 LYS A 63 2.512 3.340 -11.226 1.00 21.13 H new ATOM 0 HD2 LYS A 63 0.861 4.947 -12.307 1.00 24.13 H new ATOM 0 HD3 LYS A 63 2.002 6.241 -11.997 1.00 24.13 H new ATOM 0 HE2 LYS A 63 2.302 5.418 -14.279 1.00 51.21 H new ATOM 0 HE3 LYS A 63 3.730 5.052 -13.332 1.00 51.21 H new ATOM 0 HZ1 LYS A 63 3.029 3.169 -14.686 1.00 31.21 H new ATOM 0 HZ2 LYS A 63 2.939 2.788 -13.034 1.00 31.21 H new ATOM 0 HZ3 LYS A 63 1.522 3.135 -13.904 1.00 31.21 H new ATOM 996 N ILE A 64 1.396 5.247 -6.677 1.00 73.44 N ATOM 997 CA ILE A 64 0.569 5.666 -5.546 1.00 21.03 C ATOM 998 C ILE A 64 -0.832 6.090 -6.018 1.00 22.12 C ATOM 999 O ILE A 64 -0.974 7.042 -6.784 1.00 31.32 O ATOM 1000 CB ILE A 64 1.234 6.848 -4.785 1.00 1.52 C ATOM 1001 CG1 ILE A 64 2.632 6.443 -4.277 1.00 21.13 C ATOM 1002 CG2 ILE A 64 0.348 7.321 -3.630 1.00 13.21 C ATOM 1003 CD1 ILE A 64 3.355 7.536 -3.512 1.00 23.44 C ATOM 0 H ILE A 64 2.122 5.916 -6.932 1.00 73.44 H new ATOM 0 HA ILE A 64 0.475 4.813 -4.873 1.00 21.03 H new ATOM 0 HB ILE A 64 1.350 7.681 -5.479 1.00 1.52 H new ATOM 0 HG12 ILE A 64 2.534 5.569 -3.634 1.00 21.13 H new ATOM 0 HG13 ILE A 64 3.244 6.145 -5.129 1.00 21.13 H new ATOM 0 HG21 ILE A 64 0.835 8.148 -3.113 1.00 13.21 H new ATOM 0 HG22 ILE A 64 -0.614 7.653 -4.021 1.00 13.21 H new ATOM 0 HG23 ILE A 64 0.191 6.499 -2.932 1.00 13.21 H new ATOM 0 HD11 ILE A 64 4.330 7.171 -3.190 1.00 23.44 H new ATOM 0 HD12 ILE A 64 3.488 8.405 -4.157 1.00 23.44 H new ATOM 0 HD13 ILE A 64 2.767 7.819 -2.639 1.00 23.44 H new ATOM 1015 N SER A 65 -1.865 5.378 -5.566 1.00 64.13 N ATOM 1016 CA SER A 65 -3.252 5.720 -5.928 1.00 64.24 C ATOM 1017 C SER A 65 -3.683 7.039 -5.270 1.00 1.35 C ATOM 1018 O SER A 65 -4.465 7.808 -5.837 1.00 23.20 O ATOM 1019 CB SER A 65 -4.218 4.598 -5.524 1.00 41.01 C ATOM 1020 OG SER A 65 -5.553 4.896 -5.913 1.00 55.15 O ATOM 0 H SER A 65 -1.775 4.567 -4.954 1.00 64.13 H new ATOM 0 HA SER A 65 -3.288 5.840 -7.011 1.00 64.24 H new ATOM 0 HB2 SER A 65 -3.904 3.662 -5.985 1.00 41.01 H new ATOM 0 HB3 SER A 65 -4.176 4.451 -4.445 1.00 41.01 H new ATOM 0 HG SER A 65 -6.144 4.162 -5.643 1.00 55.15 H new ATOM 1026 N LEU A 66 -3.162 7.295 -4.072 1.00 1.32 N ATOM 1027 CA LEU A 66 -3.445 8.540 -3.345 1.00 43.11 C ATOM 1028 C LEU A 66 -2.877 9.762 -4.094 1.00 23.14 C ATOM 1029 O LEU A 66 -1.850 9.665 -4.767 1.00 35.20 O ATOM 1030 CB LEU A 66 -2.847 8.467 -1.931 1.00 2.24 C ATOM 1031 CG LEU A 66 -3.291 7.261 -1.083 1.00 0.03 C ATOM 1032 CD1 LEU A 66 -2.675 7.321 0.310 1.00 40.40 C ATOM 1033 CD2 LEU A 66 -4.815 7.181 -1.000 1.00 71.22 C ATOM 0 H LEU A 66 -2.538 6.656 -3.579 1.00 1.32 H new ATOM 0 HA LEU A 66 -4.527 8.656 -3.276 1.00 43.11 H new ATOM 0 HB2 LEU A 66 -1.760 8.449 -2.016 1.00 2.24 H new ATOM 0 HB3 LEU A 66 -3.110 9.380 -1.397 1.00 2.24 H new ATOM 0 HG LEU A 66 -2.933 6.356 -1.574 1.00 0.03 H new ATOM 0 HD11 LEU A 66 -3.003 6.459 0.890 1.00 40.40 H new ATOM 0 HD12 LEU A 66 -1.588 7.311 0.228 1.00 40.40 H new ATOM 0 HD13 LEU A 66 -2.993 8.236 0.809 1.00 40.40 H new ATOM 0 HD21 LEU A 66 -5.102 6.321 -0.396 1.00 71.22 H new ATOM 0 HD22 LEU A 66 -5.203 8.091 -0.543 1.00 71.22 H new ATOM 0 HD23 LEU A 66 -5.229 7.074 -2.003 1.00 71.22 H new ATOM 1045 N LYS A 67 -3.542 10.911 -3.976 1.00 72.52 N ATOM 1046 CA LYS A 67 -3.127 12.121 -4.705 1.00 64.43 C ATOM 1047 C LYS A 67 -3.025 13.347 -3.781 1.00 71.34 C ATOM 1048 O LYS A 67 -3.743 13.452 -2.786 1.00 13.41 O ATOM 1049 CB LYS A 67 -4.105 12.397 -5.859 1.00 71.34 C ATOM 1050 CG LYS A 67 -5.565 12.483 -5.423 1.00 31.31 C ATOM 1051 CD LYS A 67 -6.505 12.615 -6.618 1.00 14.55 C ATOM 1052 CE LYS A 67 -7.967 12.635 -6.188 1.00 11.11 C ATOM 1053 NZ LYS A 67 -8.280 13.802 -5.323 1.00 71.22 N ATOM 0 H LYS A 67 -4.366 11.035 -3.388 1.00 72.52 H new ATOM 0 HA LYS A 67 -2.131 11.940 -5.109 1.00 64.43 H new ATOM 0 HB2 LYS A 67 -3.825 13.332 -6.344 1.00 71.34 H new ATOM 0 HB3 LYS A 67 -4.004 11.608 -6.605 1.00 71.34 H new ATOM 0 HG2 LYS A 67 -5.827 11.593 -4.851 1.00 31.31 H new ATOM 0 HG3 LYS A 67 -5.697 13.338 -4.760 1.00 31.31 H new ATOM 0 HD2 LYS A 67 -6.274 13.530 -7.163 1.00 14.55 H new ATOM 0 HD3 LYS A 67 -6.339 11.785 -7.304 1.00 14.55 H new ATOM 0 HE2 LYS A 67 -8.604 12.659 -7.072 1.00 11.11 H new ATOM 0 HE3 LYS A 67 -8.199 11.715 -5.652 1.00 11.11 H new ATOM 0 HZ1 LYS A 67 -9.307 13.852 -5.166 1.00 71.22 H new ATOM 0 HZ2 LYS A 67 -7.794 13.697 -4.409 1.00 71.22 H new ATOM 0 HZ3 LYS A 67 -7.958 14.675 -5.788 1.00 71.22 H new ATOM 1067 N GLY A 68 -2.116 14.265 -4.116 1.00 24.23 N ATOM 1068 CA GLY A 68 -1.943 15.487 -3.336 1.00 20.31 C ATOM 1069 C GLY A 68 -1.280 15.254 -1.981 1.00 53.13 C ATOM 1070 O GLY A 68 -0.152 14.754 -1.908 1.00 2.32 O ATOM 0 H GLY A 68 -1.492 14.184 -4.919 1.00 24.23 H new ATOM 0 HA2 GLY A 68 -1.342 16.193 -3.909 1.00 20.31 H new ATOM 0 HA3 GLY A 68 -2.917 15.951 -3.180 1.00 20.31 H new ATOM 1074 N ARG A 69 -1.987 15.613 -0.908 1.00 61.22 N ATOM 1075 CA ARG A 69 -1.475 15.457 0.459 1.00 4.21 C ATOM 1076 C ARG A 69 -1.281 13.979 0.826 1.00 40.34 C ATOM 1077 O ARG A 69 -0.248 13.593 1.376 1.00 74.21 O ATOM 1078 CB ARG A 69 -2.432 16.127 1.457 1.00 44.35 C ATOM 1079 CG ARG A 69 -2.568 17.636 1.264 1.00 52.41 C ATOM 1080 CD ARG A 69 -3.587 18.246 2.223 1.00 15.52 C ATOM 1081 NE ARG A 69 -3.299 17.917 3.619 1.00 41.34 N ATOM 1082 CZ ARG A 69 -3.433 18.747 4.619 1.00 70.24 C ATOM 1083 NH1 ARG A 69 -3.828 19.965 4.420 1.00 4.34 N ATOM 1084 NH2 ARG A 69 -3.174 18.347 5.821 1.00 2.45 N ATOM 0 H ARG A 69 -2.922 16.017 -0.958 1.00 61.22 H new ATOM 0 HA ARG A 69 -0.500 15.942 0.508 1.00 4.21 H new ATOM 0 HB2 ARG A 69 -3.417 15.668 1.365 1.00 44.35 H new ATOM 0 HB3 ARG A 69 -2.082 15.930 2.470 1.00 44.35 H new ATOM 0 HG2 ARG A 69 -1.598 18.110 1.416 1.00 52.41 H new ATOM 0 HG3 ARG A 69 -2.867 17.845 0.237 1.00 52.41 H new ATOM 0 HD2 ARG A 69 -3.595 19.329 2.101 1.00 15.52 H new ATOM 0 HD3 ARG A 69 -4.584 17.889 1.966 1.00 15.52 H new ATOM 0 HE ARG A 69 -2.971 16.974 3.826 1.00 41.34 H new ATOM 0 HH11 ARG A 69 -4.038 20.285 3.475 1.00 4.34 H new ATOM 0 HH12 ARG A 69 -3.929 20.604 5.209 1.00 4.34 H new ATOM 0 HH21 ARG A 69 -2.867 17.388 5.984 1.00 2.45 H new ATOM 0 HH22 ARG A 69 -3.277 18.990 6.606 1.00 2.45 H new ATOM 1098 N ASP A 70 -2.281 13.152 0.518 1.00 31.53 N ATOM 1099 CA ASP A 70 -2.197 11.708 0.769 1.00 34.34 C ATOM 1100 C ASP A 70 -1.013 11.072 0.021 1.00 2.35 C ATOM 1101 O ASP A 70 -0.369 10.151 0.530 1.00 52.11 O ATOM 1102 CB ASP A 70 -3.501 11.014 0.366 1.00 3.41 C ATOM 1103 CG ASP A 70 -4.673 11.397 1.251 1.00 3.43 C ATOM 1104 OD1 ASP A 70 -4.548 11.288 2.488 1.00 74.23 O ATOM 1105 OD2 ASP A 70 -5.725 11.802 0.715 1.00 43.00 O ATOM 0 H ASP A 70 -3.158 13.454 0.095 1.00 31.53 H new ATOM 0 HA ASP A 70 -2.035 11.572 1.838 1.00 34.34 H new ATOM 0 HB2 ASP A 70 -3.736 11.266 -0.668 1.00 3.41 H new ATOM 0 HB3 ASP A 70 -3.359 9.934 0.407 1.00 3.41 H new ATOM 1110 N LEU A 71 -0.733 11.567 -1.188 1.00 2.14 N ATOM 1111 CA LEU A 71 0.407 11.083 -1.976 1.00 1.43 C ATOM 1112 C LEU A 71 1.718 11.383 -1.239 1.00 24.33 C ATOM 1113 O LEU A 71 2.508 10.482 -0.977 1.00 51.32 O ATOM 1114 CB LEU A 71 0.402 11.730 -3.379 1.00 12.32 C ATOM 1115 CG LEU A 71 1.347 11.101 -4.433 1.00 14.24 C ATOM 1116 CD1 LEU A 71 0.939 11.527 -5.842 1.00 12.11 C ATOM 1117 CD2 LEU A 71 2.809 11.480 -4.182 1.00 72.00 C ATOM 0 H LEU A 71 -1.277 12.300 -1.642 1.00 2.14 H new ATOM 0 HA LEU A 71 0.321 10.004 -2.101 1.00 1.43 H new ATOM 0 HB2 LEU A 71 -0.616 11.693 -3.768 1.00 12.32 H new ATOM 0 HB3 LEU A 71 0.664 12.782 -3.270 1.00 12.32 H new ATOM 0 HG LEU A 71 1.257 10.019 -4.342 1.00 14.24 H new ATOM 0 HD11 LEU A 71 1.614 11.075 -6.569 1.00 12.11 H new ATOM 0 HD12 LEU A 71 -0.081 11.198 -6.041 1.00 12.11 H new ATOM 0 HD13 LEU A 71 0.992 12.613 -5.924 1.00 12.11 H new ATOM 0 HD21 LEU A 71 3.440 11.019 -4.942 1.00 72.00 H new ATOM 0 HD22 LEU A 71 2.917 12.564 -4.229 1.00 72.00 H new ATOM 0 HD23 LEU A 71 3.112 11.127 -3.196 1.00 72.00 H new ATOM 1129 N ASP A 72 1.928 12.654 -0.894 1.00 63.04 N ATOM 1130 CA ASP A 72 3.127 13.083 -0.156 1.00 31.55 C ATOM 1131 C ASP A 72 3.241 12.358 1.194 1.00 30.53 C ATOM 1132 O ASP A 72 4.338 12.082 1.677 1.00 53.53 O ATOM 1133 CB ASP A 72 3.070 14.596 0.071 1.00 3.22 C ATOM 1134 CG ASP A 72 4.275 15.135 0.820 1.00 14.21 C ATOM 1135 OD1 ASP A 72 5.381 15.166 0.239 1.00 41.13 O ATOM 1136 OD2 ASP A 72 4.115 15.559 1.986 1.00 73.35 O ATOM 0 H ASP A 72 1.282 13.412 -1.113 1.00 63.04 H new ATOM 0 HA ASP A 72 4.005 12.829 -0.749 1.00 31.55 H new ATOM 0 HB2 ASP A 72 2.995 15.099 -0.893 1.00 3.22 H new ATOM 0 HB3 ASP A 72 2.165 14.839 0.628 1.00 3.22 H new ATOM 1141 N ARG A 73 2.094 12.057 1.792 1.00 14.50 N ATOM 1142 CA ARG A 73 2.036 11.387 3.093 1.00 11.42 C ATOM 1143 C ARG A 73 2.547 9.934 3.006 1.00 62.12 C ATOM 1144 O ARG A 73 3.422 9.528 3.776 1.00 30.52 O ATOM 1145 CB ARG A 73 0.597 11.445 3.627 1.00 25.22 C ATOM 1146 CG ARG A 73 0.445 10.984 5.069 1.00 11.25 C ATOM 1147 CD ARG A 73 -0.875 11.458 5.676 1.00 12.24 C ATOM 1148 NE ARG A 73 -2.045 10.971 4.945 1.00 12.45 N ATOM 1149 CZ ARG A 73 -3.023 10.304 5.495 1.00 53.21 C ATOM 1150 NH1 ARG A 73 -2.999 10.033 6.761 1.00 14.44 N ATOM 1151 NH2 ARG A 73 -4.032 9.930 4.779 1.00 64.24 N ATOM 0 H ARG A 73 1.179 12.268 1.393 1.00 14.50 H new ATOM 0 HA ARG A 73 2.695 11.907 3.788 1.00 11.42 H new ATOM 0 HB2 ARG A 73 0.232 12.469 3.545 1.00 25.22 H new ATOM 0 HB3 ARG A 73 -0.039 10.828 2.992 1.00 25.22 H new ATOM 0 HG2 ARG A 73 0.495 9.896 5.111 1.00 11.25 H new ATOM 0 HG3 ARG A 73 1.276 11.364 5.663 1.00 11.25 H new ATOM 0 HD2 ARG A 73 -0.934 11.123 6.711 1.00 12.24 H new ATOM 0 HD3 ARG A 73 -0.891 12.548 5.693 1.00 12.24 H new ATOM 0 HE ARG A 73 -2.100 11.164 3.945 1.00 12.45 H new ATOM 0 HH11 ARG A 73 -2.213 10.341 7.334 1.00 14.44 H new ATOM 0 HH12 ARG A 73 -3.766 9.511 7.186 1.00 14.44 H new ATOM 0 HH21 ARG A 73 -4.064 10.156 3.785 1.00 64.24 H new ATOM 0 HH22 ARG A 73 -4.797 9.409 5.208 1.00 64.24 H new ATOM 1165 N GLN A 74 2.004 9.156 2.062 1.00 30.31 N ATOM 1166 CA GLN A 74 2.498 7.792 1.809 1.00 25.01 C ATOM 1167 C GLN A 74 3.961 7.836 1.332 1.00 44.15 C ATOM 1168 O GLN A 74 4.817 7.102 1.830 1.00 62.31 O ATOM 1169 CB GLN A 74 1.612 7.082 0.766 1.00 32.44 C ATOM 1170 CG GLN A 74 2.115 5.694 0.369 1.00 34.24 C ATOM 1171 CD GLN A 74 1.173 4.956 -0.575 1.00 54.32 C ATOM 1172 OE1 GLN A 74 1.273 5.072 -1.786 1.00 21.22 O ATOM 1173 NE2 GLN A 74 0.252 4.188 -0.027 1.00 72.34 N ATOM 0 H GLN A 74 1.229 9.442 1.464 1.00 30.31 H new ATOM 0 HA GLN A 74 2.452 7.227 2.740 1.00 25.01 H new ATOM 0 HB2 GLN A 74 0.601 6.992 1.163 1.00 32.44 H new ATOM 0 HB3 GLN A 74 1.549 7.704 -0.127 1.00 32.44 H new ATOM 0 HG2 GLN A 74 3.091 5.792 -0.106 1.00 34.24 H new ATOM 0 HG3 GLN A 74 2.257 5.096 1.269 1.00 34.24 H new ATOM 0 HE21 GLN A 74 0.191 4.110 0.988 1.00 72.34 H new ATOM 0 HE22 GLN A 74 -0.400 3.672 -0.618 1.00 72.34 H new ATOM 1182 N LYS A 75 4.218 8.722 0.375 1.00 34.13 N ATOM 1183 CA LYS A 75 5.565 8.990 -0.153 1.00 50.44 C ATOM 1184 C LYS A 75 6.608 9.195 0.963 1.00 42.43 C ATOM 1185 O LYS A 75 7.634 8.515 0.995 1.00 42.13 O ATOM 1186 CB LYS A 75 5.485 10.236 -1.048 1.00 4.15 C ATOM 1187 CG LYS A 75 6.805 10.950 -1.311 1.00 32.42 C ATOM 1188 CD LYS A 75 6.561 12.249 -2.074 1.00 32.04 C ATOM 1189 CE LYS A 75 7.815 13.100 -2.182 1.00 24.34 C ATOM 1190 NZ LYS A 75 7.545 14.386 -2.874 1.00 30.45 N ATOM 0 H LYS A 75 3.491 9.285 -0.066 1.00 34.13 H new ATOM 0 HA LYS A 75 5.896 8.122 -0.723 1.00 50.44 H new ATOM 0 HB2 LYS A 75 5.054 9.945 -2.006 1.00 4.15 H new ATOM 0 HB3 LYS A 75 4.795 10.945 -0.590 1.00 4.15 H new ATOM 0 HG2 LYS A 75 7.305 11.163 -0.366 1.00 32.42 H new ATOM 0 HG3 LYS A 75 7.469 10.303 -1.884 1.00 32.42 H new ATOM 0 HD2 LYS A 75 6.195 12.017 -3.074 1.00 32.04 H new ATOM 0 HD3 LYS A 75 5.779 12.820 -1.573 1.00 32.04 H new ATOM 0 HE2 LYS A 75 8.208 13.298 -1.185 1.00 24.34 H new ATOM 0 HE3 LYS A 75 8.584 12.549 -2.724 1.00 24.34 H new ATOM 0 HZ1 LYS A 75 8.423 14.941 -2.930 1.00 30.45 H new ATOM 0 HZ2 LYS A 75 7.194 14.196 -3.834 1.00 30.45 H new ATOM 0 HZ3 LYS A 75 6.829 14.922 -2.343 1.00 30.45 H new ATOM 1204 N GLN A 76 6.340 10.136 1.866 1.00 1.24 N ATOM 1205 CA GLN A 76 7.247 10.420 2.987 1.00 43.43 C ATOM 1206 C GLN A 76 7.524 9.168 3.839 1.00 42.15 C ATOM 1207 O GLN A 76 8.665 8.915 4.237 1.00 33.35 O ATOM 1208 CB GLN A 76 6.677 11.548 3.862 1.00 30.42 C ATOM 1209 CG GLN A 76 6.991 12.948 3.347 1.00 12.21 C ATOM 1210 CD GLN A 76 6.557 14.029 4.321 1.00 11.42 C ATOM 1211 OE1 GLN A 76 7.313 14.436 5.196 1.00 21.42 O ATOM 1212 NE2 GLN A 76 5.341 14.505 4.178 1.00 55.25 N ATOM 0 H GLN A 76 5.502 10.718 1.847 1.00 1.24 H new ATOM 0 HA GLN A 76 8.199 10.741 2.563 1.00 43.43 H new ATOM 0 HB2 GLN A 76 5.595 11.431 3.930 1.00 30.42 H new ATOM 0 HB3 GLN A 76 7.073 11.446 4.872 1.00 30.42 H new ATOM 0 HG2 GLN A 76 8.062 13.034 3.165 1.00 12.21 H new ATOM 0 HG3 GLN A 76 6.492 13.102 2.390 1.00 12.21 H new ATOM 0 HE21 GLN A 76 4.736 14.145 3.440 1.00 55.25 H new ATOM 0 HE22 GLN A 76 5.002 15.234 4.805 1.00 55.25 H new ATOM 1221 N LYS A 77 6.481 8.384 4.117 1.00 4.34 N ATOM 1222 CA LYS A 77 6.638 7.136 4.876 1.00 3.31 C ATOM 1223 C LYS A 77 7.536 6.131 4.131 1.00 22.54 C ATOM 1224 O LYS A 77 8.392 5.478 4.729 1.00 4.02 O ATOM 1225 CB LYS A 77 5.263 6.513 5.160 1.00 74.44 C ATOM 1226 CG LYS A 77 4.390 7.358 6.084 1.00 2.01 C ATOM 1227 CD LYS A 77 5.052 7.549 7.447 1.00 73.43 C ATOM 1228 CE LYS A 77 4.290 8.531 8.327 1.00 74.22 C ATOM 1229 NZ LYS A 77 5.006 8.799 9.604 1.00 13.44 N ATOM 0 H LYS A 77 5.523 8.587 3.831 1.00 4.34 H new ATOM 0 HA LYS A 77 7.124 7.378 5.821 1.00 3.31 H new ATOM 0 HB2 LYS A 77 4.739 6.362 4.216 1.00 74.44 H new ATOM 0 HB3 LYS A 77 5.404 5.529 5.607 1.00 74.44 H new ATOM 0 HG2 LYS A 77 4.206 8.330 5.627 1.00 2.01 H new ATOM 0 HG3 LYS A 77 3.420 6.878 6.212 1.00 2.01 H new ATOM 0 HD2 LYS A 77 5.119 6.586 7.954 1.00 73.43 H new ATOM 0 HD3 LYS A 77 6.072 7.907 7.306 1.00 73.43 H new ATOM 0 HE2 LYS A 77 4.147 9.467 7.787 1.00 74.22 H new ATOM 0 HE3 LYS A 77 3.299 8.132 8.543 1.00 74.22 H new ATOM 0 HZ1 LYS A 77 4.500 9.534 10.138 1.00 13.44 H new ATOM 0 HZ2 LYS A 77 5.046 7.927 10.169 1.00 13.44 H new ATOM 0 HZ3 LYS A 77 5.973 9.123 9.399 1.00 13.44 H new ATOM 1243 N LEU A 78 7.338 6.026 2.820 1.00 53.12 N ATOM 1244 CA LEU A 78 8.141 5.127 1.980 1.00 14.51 C ATOM 1245 C LEU A 78 9.621 5.544 1.951 1.00 61.20 C ATOM 1246 O LEU A 78 10.517 4.699 2.059 1.00 34.32 O ATOM 1247 CB LEU A 78 7.569 5.104 0.559 1.00 40.43 C ATOM 1248 CG LEU A 78 6.151 4.528 0.442 1.00 63.54 C ATOM 1249 CD1 LEU A 78 5.573 4.792 -0.944 1.00 55.20 C ATOM 1250 CD2 LEU A 78 6.159 3.033 0.753 1.00 44.22 C ATOM 0 H LEU A 78 6.628 6.552 2.310 1.00 53.12 H new ATOM 0 HA LEU A 78 8.092 4.127 2.412 1.00 14.51 H new ATOM 0 HB2 LEU A 78 7.565 6.121 0.168 1.00 40.43 H new ATOM 0 HB3 LEU A 78 8.236 4.521 -0.076 1.00 40.43 H new ATOM 0 HG LEU A 78 5.513 5.027 1.171 1.00 63.54 H new ATOM 0 HD11 LEU A 78 4.568 4.375 -1.004 1.00 55.20 H new ATOM 0 HD12 LEU A 78 5.532 5.867 -1.122 1.00 55.20 H new ATOM 0 HD13 LEU A 78 6.206 4.323 -1.697 1.00 55.20 H new ATOM 0 HD21 LEU A 78 5.147 2.638 0.666 1.00 44.22 H new ATOM 0 HD22 LEU A 78 6.811 2.518 0.048 1.00 44.22 H new ATOM 0 HD23 LEU A 78 6.525 2.874 1.768 1.00 44.22 H new ATOM 1262 N GLU A 79 9.871 6.844 1.802 1.00 0.41 N ATOM 1263 CA GLU A 79 11.237 7.384 1.837 1.00 55.43 C ATOM 1264 C GLU A 79 11.955 6.990 3.138 1.00 70.55 C ATOM 1265 O GLU A 79 13.128 6.607 3.124 1.00 35.21 O ATOM 1266 CB GLU A 79 11.215 8.915 1.691 1.00 5.41 C ATOM 1267 CG GLU A 79 10.806 9.412 0.302 1.00 23.14 C ATOM 1268 CD GLU A 79 11.817 9.066 -0.786 1.00 51.23 C ATOM 1269 OE1 GLU A 79 13.038 9.152 -0.527 1.00 22.03 O ATOM 1270 OE2 GLU A 79 11.400 8.725 -1.914 1.00 65.20 O ATOM 0 H GLU A 79 9.147 7.547 1.655 1.00 0.41 H new ATOM 0 HA GLU A 79 11.787 6.956 0.999 1.00 55.43 H new ATOM 0 HB2 GLU A 79 10.527 9.328 2.429 1.00 5.41 H new ATOM 0 HB3 GLU A 79 12.206 9.304 1.926 1.00 5.41 H new ATOM 0 HG2 GLU A 79 9.840 8.981 0.040 1.00 23.14 H new ATOM 0 HG3 GLU A 79 10.675 10.494 0.335 1.00 23.14 H new ATOM 1277 N ALA A 80 11.240 7.073 4.258 1.00 32.13 N ATOM 1278 CA ALA A 80 11.788 6.684 5.563 1.00 33.11 C ATOM 1279 C ALA A 80 12.194 5.199 5.594 1.00 5.55 C ATOM 1280 O ALA A 80 13.173 4.820 6.243 1.00 71.23 O ATOM 1281 CB ALA A 80 10.773 6.984 6.662 1.00 14.43 C ATOM 0 H ALA A 80 10.277 7.407 4.292 1.00 32.13 H new ATOM 0 HA ALA A 80 12.691 7.270 5.736 1.00 33.11 H new ATOM 0 HB1 ALA A 80 11.186 6.693 7.628 1.00 14.43 H new ATOM 0 HB2 ALA A 80 10.549 8.051 6.669 1.00 14.43 H new ATOM 0 HB3 ALA A 80 9.858 6.423 6.475 1.00 14.43 H new ATOM 1287 N GLU A 81 11.447 4.366 4.871 1.00 72.41 N ATOM 1288 CA GLU A 81 11.713 2.921 4.823 1.00 34.23 C ATOM 1289 C GLU A 81 12.799 2.570 3.791 1.00 31.14 C ATOM 1290 O GLU A 81 13.120 1.396 3.590 1.00 13.21 O ATOM 1291 CB GLU A 81 10.423 2.156 4.496 1.00 42.43 C ATOM 1292 CG GLU A 81 9.256 2.470 5.430 1.00 64.45 C ATOM 1293 CD GLU A 81 9.474 1.982 6.853 1.00 43.41 C ATOM 1294 OE1 GLU A 81 10.070 2.719 7.662 1.00 42.11 O ATOM 1295 OE2 GLU A 81 9.053 0.844 7.169 1.00 42.21 O ATOM 0 H GLU A 81 10.650 4.664 4.308 1.00 72.41 H new ATOM 0 HA GLU A 81 12.078 2.625 5.807 1.00 34.23 H new ATOM 0 HB2 GLU A 81 10.127 2.386 3.473 1.00 42.43 H new ATOM 0 HB3 GLU A 81 10.628 1.086 4.536 1.00 42.43 H new ATOM 0 HG2 GLU A 81 9.091 3.547 5.444 1.00 64.45 H new ATOM 0 HG3 GLU A 81 8.349 2.014 5.032 1.00 64.45 H new ATOM 1302 N GLY A 82 13.354 3.588 3.134 1.00 53.04 N ATOM 1303 CA GLY A 82 14.433 3.374 2.167 1.00 24.41 C ATOM 1304 C GLY A 82 13.945 3.087 0.745 1.00 60.12 C ATOM 1305 O GLY A 82 14.738 2.725 -0.127 1.00 53.21 O ATOM 0 H GLY A 82 13.078 4.563 3.251 1.00 53.04 H new ATOM 0 HA2 GLY A 82 15.072 4.257 2.150 1.00 24.41 H new ATOM 0 HA3 GLY A 82 15.049 2.541 2.504 1.00 24.41 H new ATOM 1309 N ILE A 83 12.650 3.263 0.504 1.00 11.14 N ATOM 1310 CA ILE A 83 12.051 2.982 -0.807 1.00 61.13 C ATOM 1311 C ILE A 83 12.100 4.217 -1.723 1.00 44.23 C ATOM 1312 O ILE A 83 11.825 5.334 -1.281 1.00 62.41 O ATOM 1313 CB ILE A 83 10.580 2.520 -0.645 1.00 24.34 C ATOM 1314 CG1 ILE A 83 10.513 1.272 0.254 1.00 44.14 C ATOM 1315 CG2 ILE A 83 9.937 2.244 -2.005 1.00 61.15 C ATOM 1316 CD1 ILE A 83 9.107 0.781 0.524 1.00 21.10 C ATOM 0 H ILE A 83 11.987 3.601 1.201 1.00 11.14 H new ATOM 0 HA ILE A 83 12.634 2.184 -1.267 1.00 61.13 H new ATOM 0 HB ILE A 83 10.018 3.324 -0.170 1.00 24.34 H new ATOM 0 HG12 ILE A 83 11.083 0.469 -0.213 1.00 44.14 H new ATOM 0 HG13 ILE A 83 10.997 1.495 1.205 1.00 44.14 H new ATOM 0 HG21 ILE A 83 8.906 1.922 -1.861 1.00 61.15 H new ATOM 0 HG22 ILE A 83 9.953 3.153 -2.606 1.00 61.15 H new ATOM 0 HG23 ILE A 83 10.494 1.460 -2.518 1.00 61.15 H new ATOM 0 HD11 ILE A 83 9.146 -0.100 1.164 1.00 21.10 H new ATOM 0 HD12 ILE A 83 8.537 1.566 1.021 1.00 21.10 H new ATOM 0 HD13 ILE A 83 8.624 0.524 -0.419 1.00 21.10 H new ATOM 1328 N GLU A 84 12.467 4.023 -2.993 1.00 52.10 N ATOM 1329 CA GLU A 84 12.509 5.131 -3.957 1.00 40.33 C ATOM 1330 C GLU A 84 11.098 5.525 -4.438 1.00 11.21 C ATOM 1331 O GLU A 84 10.399 4.736 -5.080 1.00 55.45 O ATOM 1332 CB GLU A 84 13.399 4.782 -5.171 1.00 31.13 C ATOM 1333 CG GLU A 84 12.895 3.614 -6.021 1.00 12.41 C ATOM 1334 CD GLU A 84 13.649 3.464 -7.337 1.00 62.31 C ATOM 1335 OE1 GLU A 84 14.680 2.764 -7.366 1.00 14.11 O ATOM 1336 OE2 GLU A 84 13.213 4.047 -8.357 1.00 12.14 O ATOM 0 H GLU A 84 12.738 3.118 -3.377 1.00 52.10 H new ATOM 0 HA GLU A 84 12.942 5.985 -3.437 1.00 40.33 H new ATOM 0 HB2 GLU A 84 13.486 5.664 -5.806 1.00 31.13 H new ATOM 0 HB3 GLU A 84 14.401 4.547 -4.813 1.00 31.13 H new ATOM 0 HG2 GLU A 84 12.986 2.690 -5.449 1.00 12.41 H new ATOM 0 HG3 GLU A 84 11.835 3.756 -6.231 1.00 12.41 H new ATOM 1343 N VAL A 85 10.668 6.739 -4.102 1.00 70.20 N ATOM 1344 CA VAL A 85 9.416 7.285 -4.631 1.00 20.20 C ATOM 1345 C VAL A 85 9.696 8.280 -5.769 1.00 43.51 C ATOM 1346 O VAL A 85 10.155 9.404 -5.533 1.00 13.34 O ATOM 1347 CB VAL A 85 8.584 7.990 -3.532 1.00 74.21 C ATOM 1348 CG1 VAL A 85 7.248 8.479 -4.092 1.00 53.13 C ATOM 1349 CG2 VAL A 85 8.370 7.060 -2.339 1.00 71.34 C ATOM 0 H VAL A 85 11.165 7.364 -3.467 1.00 70.20 H new ATOM 0 HA VAL A 85 8.839 6.443 -5.013 1.00 20.20 H new ATOM 0 HB VAL A 85 9.141 8.861 -3.187 1.00 74.21 H new ATOM 0 HG11 VAL A 85 6.681 8.971 -3.302 1.00 53.13 H new ATOM 0 HG12 VAL A 85 7.430 9.185 -4.902 1.00 53.13 H new ATOM 0 HG13 VAL A 85 6.680 7.630 -4.472 1.00 53.13 H new ATOM 0 HG21 VAL A 85 7.783 7.574 -1.578 1.00 71.34 H new ATOM 0 HG22 VAL A 85 7.838 6.166 -2.665 1.00 71.34 H new ATOM 0 HG23 VAL A 85 9.336 6.775 -1.922 1.00 71.34 H new ATOM 1359 N SER A 86 9.448 7.852 -7.004 1.00 35.42 N ATOM 1360 CA SER A 86 9.646 8.715 -8.177 1.00 70.50 C ATOM 1361 C SER A 86 8.614 9.851 -8.229 1.00 3.20 C ATOM 1362 O SER A 86 7.522 9.730 -7.670 1.00 63.44 O ATOM 1363 CB SER A 86 9.592 7.895 -9.470 1.00 4.34 C ATOM 1364 OG SER A 86 9.562 8.735 -10.615 1.00 15.43 O ATOM 0 H SER A 86 9.110 6.915 -7.224 1.00 35.42 H new ATOM 0 HA SER A 86 10.635 9.164 -8.083 1.00 70.50 H new ATOM 0 HB2 SER A 86 10.460 7.237 -9.522 1.00 4.34 H new ATOM 0 HB3 SER A 86 8.708 7.257 -9.462 1.00 4.34 H new ATOM 0 HG SER A 86 9.530 8.184 -11.424 1.00 15.43 H new ATOM 1370 N GLU A 87 8.967 10.917 -8.953 1.00 54.23 N ATOM 1371 CA GLU A 87 8.246 12.209 -8.942 1.00 31.43 C ATOM 1372 C GLU A 87 6.709 12.088 -8.843 1.00 51.31 C ATOM 1373 O GLU A 87 6.101 12.635 -7.922 1.00 32.23 O ATOM 1374 CB GLU A 87 8.636 13.021 -10.190 1.00 71.13 C ATOM 1375 CG GLU A 87 8.413 12.286 -11.511 1.00 44.24 C ATOM 1376 CD GLU A 87 8.956 13.044 -12.711 1.00 40.10 C ATOM 1377 OE1 GLU A 87 10.173 12.946 -12.983 1.00 61.21 O ATOM 1378 OE2 GLU A 87 8.176 13.744 -13.388 1.00 64.24 O ATOM 0 H GLU A 87 9.774 10.914 -9.576 1.00 54.23 H new ATOM 0 HA GLU A 87 8.553 12.721 -8.030 1.00 31.43 H new ATOM 0 HB2 GLU A 87 8.061 13.947 -10.201 1.00 71.13 H new ATOM 0 HB3 GLU A 87 9.687 13.299 -10.115 1.00 71.13 H new ATOM 0 HG2 GLU A 87 8.889 11.307 -11.461 1.00 44.24 H new ATOM 0 HG3 GLU A 87 7.346 12.114 -11.649 1.00 44.24 H new ATOM 1385 N ILE A 88 6.085 11.367 -9.770 1.00 53.21 N ATOM 1386 CA ILE A 88 4.612 11.290 -9.829 1.00 71.13 C ATOM 1387 C ILE A 88 4.038 10.183 -8.924 1.00 14.13 C ATOM 1388 O ILE A 88 2.880 9.783 -9.068 1.00 30.44 O ATOM 1389 CB ILE A 88 4.122 11.113 -11.299 1.00 34.21 C ATOM 1390 CG1 ILE A 88 4.844 9.947 -12.020 1.00 50.23 C ATOM 1391 CG2 ILE A 88 4.320 12.415 -12.072 1.00 42.04 C ATOM 1392 CD1 ILE A 88 4.364 8.563 -11.632 1.00 14.31 C ATOM 0 H ILE A 88 6.565 10.827 -10.491 1.00 53.21 H new ATOM 0 HA ILE A 88 4.234 12.238 -9.446 1.00 71.13 H new ATOM 0 HB ILE A 88 3.061 10.864 -11.265 1.00 34.21 H new ATOM 0 HG12 ILE A 88 4.719 10.071 -13.096 1.00 50.23 H new ATOM 0 HG13 ILE A 88 5.912 10.017 -11.813 1.00 50.23 H new ATOM 0 HG21 ILE A 88 3.976 12.285 -13.098 1.00 42.04 H new ATOM 0 HG22 ILE A 88 3.748 13.211 -11.596 1.00 42.04 H new ATOM 0 HG23 ILE A 88 5.377 12.679 -12.075 1.00 42.04 H new ATOM 0 HD11 ILE A 88 4.927 7.813 -12.188 1.00 14.31 H new ATOM 0 HD12 ILE A 88 4.515 8.412 -10.563 1.00 14.31 H new ATOM 0 HD13 ILE A 88 3.304 8.467 -11.866 1.00 14.31 H new ATOM 1404 N GLY A 89 4.839 9.725 -7.968 1.00 32.25 N ATOM 1405 CA GLY A 89 4.421 8.638 -7.092 1.00 1.11 C ATOM 1406 C GLY A 89 4.600 7.269 -7.735 1.00 35.31 C ATOM 1407 O GLY A 89 3.714 6.419 -7.663 1.00 14.30 O ATOM 0 H GLY A 89 5.774 10.087 -7.781 1.00 32.25 H new ATOM 0 HA2 GLY A 89 4.996 8.679 -6.167 1.00 1.11 H new ATOM 0 HA3 GLY A 89 3.374 8.775 -6.822 1.00 1.11 H new ATOM 1411 N LYS A 90 5.749 7.053 -8.370 1.00 50.41 N ATOM 1412 CA LYS A 90 6.036 5.774 -9.038 1.00 40.32 C ATOM 1413 C LYS A 90 7.044 4.953 -8.214 1.00 31.35 C ATOM 1414 O LYS A 90 8.105 5.453 -7.839 1.00 60.33 O ATOM 1415 CB LYS A 90 6.553 6.037 -10.472 1.00 5.43 C ATOM 1416 CG LYS A 90 6.725 4.801 -11.366 1.00 31.23 C ATOM 1417 CD LYS A 90 7.939 3.953 -10.981 1.00 53.12 C ATOM 1418 CE LYS A 90 8.318 2.961 -12.074 1.00 34.23 C ATOM 1419 NZ LYS A 90 8.904 3.640 -13.261 1.00 4.22 N ATOM 0 H LYS A 90 6.499 7.741 -8.439 1.00 50.41 H new ATOM 0 HA LYS A 90 5.119 5.190 -9.110 1.00 40.32 H new ATOM 0 HB2 LYS A 90 5.864 6.723 -10.964 1.00 5.43 H new ATOM 0 HB3 LYS A 90 7.514 6.546 -10.402 1.00 5.43 H new ATOM 0 HG2 LYS A 90 5.826 4.188 -11.306 1.00 31.23 H new ATOM 0 HG3 LYS A 90 6.825 5.120 -12.403 1.00 31.23 H new ATOM 0 HD2 LYS A 90 8.787 4.607 -10.776 1.00 53.12 H new ATOM 0 HD3 LYS A 90 7.724 3.412 -10.060 1.00 53.12 H new ATOM 0 HE2 LYS A 90 9.034 2.240 -11.678 1.00 34.23 H new ATOM 0 HE3 LYS A 90 7.434 2.399 -12.377 1.00 34.23 H new ATOM 0 HZ1 LYS A 90 9.347 2.933 -13.882 1.00 4.22 H new ATOM 0 HZ2 LYS A 90 8.154 4.137 -13.782 1.00 4.22 H new ATOM 0 HZ3 LYS A 90 9.622 4.325 -12.950 1.00 4.22 H new ATOM 1433 N ILE A 91 6.699 3.697 -7.934 1.00 43.24 N ATOM 1434 CA ILE A 91 7.560 2.801 -7.147 1.00 24.44 C ATOM 1435 C ILE A 91 8.022 1.599 -7.986 1.00 33.25 C ATOM 1436 O ILE A 91 7.249 1.034 -8.761 1.00 40.12 O ATOM 1437 CB ILE A 91 6.817 2.280 -5.891 1.00 23.10 C ATOM 1438 CG1 ILE A 91 6.302 3.459 -5.047 1.00 23.10 C ATOM 1439 CG2 ILE A 91 7.722 1.372 -5.053 1.00 12.32 C ATOM 1440 CD1 ILE A 91 5.492 3.038 -3.841 1.00 35.03 C ATOM 0 H ILE A 91 5.825 3.270 -8.241 1.00 43.24 H new ATOM 0 HA ILE A 91 8.430 3.381 -6.839 1.00 24.44 H new ATOM 0 HB ILE A 91 5.963 1.689 -6.222 1.00 23.10 H new ATOM 0 HG12 ILE A 91 7.152 4.053 -4.713 1.00 23.10 H new ATOM 0 HG13 ILE A 91 5.690 4.105 -5.677 1.00 23.10 H new ATOM 0 HG21 ILE A 91 7.175 1.021 -4.178 1.00 12.32 H new ATOM 0 HG22 ILE A 91 8.035 0.517 -5.652 1.00 12.32 H new ATOM 0 HG23 ILE A 91 8.601 1.931 -4.731 1.00 12.32 H new ATOM 0 HD11 ILE A 91 5.164 3.923 -3.296 1.00 35.03 H new ATOM 0 HD12 ILE A 91 4.621 2.470 -4.168 1.00 35.03 H new ATOM 0 HD13 ILE A 91 6.106 2.417 -3.189 1.00 35.03 H new ATOM 1452 N ALA A 92 9.285 1.207 -7.830 1.00 43.55 N ATOM 1453 CA ALA A 92 9.827 0.062 -8.568 1.00 43.04 C ATOM 1454 C ALA A 92 9.374 -1.276 -7.959 1.00 23.32 C ATOM 1455 O ALA A 92 10.021 -1.813 -7.053 1.00 31.53 O ATOM 1456 CB ALA A 92 11.351 0.139 -8.610 1.00 11.23 C ATOM 0 H ALA A 92 9.951 1.660 -7.204 1.00 43.55 H new ATOM 0 HA ALA A 92 9.437 0.107 -9.585 1.00 43.04 H new ATOM 0 HB1 ALA A 92 11.743 -0.716 -9.160 1.00 11.23 H new ATOM 0 HB2 ALA A 92 11.655 1.061 -9.106 1.00 11.23 H new ATOM 0 HB3 ALA A 92 11.744 0.128 -7.593 1.00 11.23 H new ATOM 1462 N LEU A 93 8.268 -1.821 -8.467 1.00 64.41 N ATOM 1463 CA LEU A 93 7.757 -3.110 -7.984 1.00 71.31 C ATOM 1464 C LEU A 93 8.786 -4.224 -8.183 1.00 45.10 C ATOM 1465 O LEU A 93 9.038 -5.013 -7.279 1.00 64.50 O ATOM 1466 CB LEU A 93 6.443 -3.483 -8.687 1.00 71.42 C ATOM 1467 CG LEU A 93 5.220 -2.637 -8.299 1.00 30.32 C ATOM 1468 CD1 LEU A 93 3.975 -3.115 -9.043 1.00 14.42 C ATOM 1469 CD2 LEU A 93 4.988 -2.678 -6.788 1.00 12.23 C ATOM 0 H LEU A 93 7.710 -1.396 -9.208 1.00 64.41 H new ATOM 0 HA LEU A 93 7.564 -3.001 -6.917 1.00 71.31 H new ATOM 0 HB2 LEU A 93 6.592 -3.402 -9.764 1.00 71.42 H new ATOM 0 HB3 LEU A 93 6.222 -4.529 -8.474 1.00 71.42 H new ATOM 0 HG LEU A 93 5.419 -1.605 -8.587 1.00 30.32 H new ATOM 0 HD11 LEU A 93 3.121 -2.503 -8.754 1.00 14.42 H new ATOM 0 HD12 LEU A 93 4.137 -3.027 -10.117 1.00 14.42 H new ATOM 0 HD13 LEU A 93 3.777 -4.157 -8.790 1.00 14.42 H new ATOM 0 HD21 LEU A 93 4.117 -2.072 -6.537 1.00 12.23 H new ATOM 0 HD22 LEU A 93 4.816 -3.708 -6.474 1.00 12.23 H new ATOM 0 HD23 LEU A 93 5.865 -2.283 -6.274 1.00 12.23 H new ATOM 1481 N ARG A 94 9.414 -4.254 -9.354 1.00 21.33 N ATOM 1482 CA ARG A 94 10.377 -5.310 -9.693 1.00 54.20 C ATOM 1483 C ARG A 94 11.528 -5.404 -8.662 1.00 62.43 C ATOM 1484 O ARG A 94 12.290 -6.373 -8.654 1.00 51.02 O ATOM 1485 CB ARG A 94 10.941 -5.078 -11.103 1.00 31.02 C ATOM 1486 CG ARG A 94 9.859 -4.856 -12.160 1.00 74.10 C ATOM 1487 CD ARG A 94 10.432 -4.732 -13.570 1.00 23.44 C ATOM 1488 NE ARG A 94 9.437 -4.209 -14.507 1.00 13.41 N ATOM 1489 CZ ARG A 94 8.573 -4.939 -15.160 1.00 53.40 C ATOM 1490 NH1 ARG A 94 8.629 -6.231 -15.120 1.00 24.33 N ATOM 1491 NH2 ARG A 94 7.675 -4.361 -15.891 1.00 41.23 N ATOM 0 H ARG A 94 9.277 -3.560 -10.089 1.00 21.33 H new ATOM 0 HA ARG A 94 9.843 -6.260 -9.668 1.00 54.20 H new ATOM 0 HB2 ARG A 94 11.603 -4.212 -11.084 1.00 31.02 H new ATOM 0 HB3 ARG A 94 11.548 -5.937 -11.390 1.00 31.02 H new ATOM 0 HG2 ARG A 94 9.152 -5.685 -12.131 1.00 74.10 H new ATOM 0 HG3 ARG A 94 9.300 -3.952 -11.918 1.00 74.10 H new ATOM 0 HD2 ARG A 94 11.301 -4.074 -13.555 1.00 23.44 H new ATOM 0 HD3 ARG A 94 10.777 -5.708 -13.911 1.00 23.44 H new ATOM 0 HE ARG A 94 9.417 -3.201 -14.661 1.00 13.41 H new ATOM 0 HH11 ARG A 94 9.355 -6.693 -14.573 1.00 24.33 H new ATOM 0 HH12 ARG A 94 7.947 -6.787 -15.635 1.00 24.33 H new ATOM 0 HH21 ARG A 94 7.646 -3.343 -15.954 1.00 41.23 H new ATOM 0 HH22 ARG A 94 6.996 -4.923 -16.404 1.00 41.23 H new ATOM 1505 N LYS A 95 11.642 -4.396 -7.793 1.00 73.52 N ATOM 1506 CA LYS A 95 12.647 -4.397 -6.724 1.00 64.44 C ATOM 1507 C LYS A 95 12.004 -4.572 -5.333 1.00 14.45 C ATOM 1508 O LYS A 95 12.501 -5.330 -4.494 1.00 52.40 O ATOM 1509 CB LYS A 95 13.448 -3.087 -6.750 1.00 40.31 C ATOM 1510 CG LYS A 95 14.552 -3.025 -5.694 1.00 33.01 C ATOM 1511 CD LYS A 95 15.242 -1.663 -5.650 1.00 25.44 C ATOM 1512 CE LYS A 95 15.917 -1.311 -6.970 1.00 34.35 C ATOM 1513 NZ LYS A 95 16.904 -2.344 -7.394 1.00 71.02 N ATOM 0 H LYS A 95 11.049 -3.566 -7.808 1.00 73.52 H new ATOM 0 HA LYS A 95 13.310 -5.243 -6.903 1.00 64.44 H new ATOM 0 HB2 LYS A 95 13.893 -2.962 -7.737 1.00 40.31 H new ATOM 0 HB3 LYS A 95 12.766 -2.250 -6.600 1.00 40.31 H new ATOM 0 HG2 LYS A 95 14.127 -3.245 -4.715 1.00 33.01 H new ATOM 0 HG3 LYS A 95 15.293 -3.798 -5.901 1.00 33.01 H new ATOM 0 HD2 LYS A 95 14.509 -0.895 -5.404 1.00 25.44 H new ATOM 0 HD3 LYS A 95 15.985 -1.661 -4.853 1.00 25.44 H new ATOM 0 HE2 LYS A 95 15.158 -1.197 -7.744 1.00 34.35 H new ATOM 0 HE3 LYS A 95 16.420 -0.349 -6.873 1.00 34.35 H new ATOM 0 HZ1 LYS A 95 17.456 -1.986 -8.199 1.00 71.02 H new ATOM 0 HZ2 LYS A 95 17.544 -2.558 -6.603 1.00 71.02 H new ATOM 0 HZ3 LYS A 95 16.401 -3.210 -7.676 1.00 71.02 H new ATOM 1527 N TYR A 96 10.887 -3.884 -5.095 1.00 50.10 N ATOM 1528 CA TYR A 96 10.284 -3.827 -3.757 1.00 51.22 C ATOM 1529 C TYR A 96 9.080 -4.764 -3.626 1.00 42.51 C ATOM 1530 O TYR A 96 8.392 -4.752 -2.611 1.00 63.03 O ATOM 1531 CB TYR A 96 9.842 -2.394 -3.431 1.00 65.53 C ATOM 1532 CG TYR A 96 10.965 -1.375 -3.444 1.00 41.52 C ATOM 1533 CD1 TYR A 96 11.853 -1.272 -2.377 1.00 34.30 C ATOM 1534 CD2 TYR A 96 11.134 -0.509 -4.519 1.00 23.11 C ATOM 1535 CE1 TYR A 96 12.869 -0.334 -2.381 1.00 3.24 C ATOM 1536 CE2 TYR A 96 12.146 0.427 -4.531 1.00 52.04 C ATOM 1537 CZ TYR A 96 13.013 0.511 -3.462 1.00 63.13 C ATOM 1538 OH TYR A 96 14.017 1.451 -3.469 1.00 72.22 O ATOM 0 H TYR A 96 10.380 -3.359 -5.807 1.00 50.10 H new ATOM 0 HA TYR A 96 11.048 -4.153 -3.051 1.00 51.22 H new ATOM 0 HB2 TYR A 96 9.082 -2.089 -4.150 1.00 65.53 H new ATOM 0 HB3 TYR A 96 9.372 -2.386 -2.448 1.00 65.53 H new ATOM 0 HD1 TYR A 96 11.747 -1.936 -1.532 1.00 34.30 H new ATOM 0 HD2 TYR A 96 10.460 -0.571 -5.360 1.00 23.11 H new ATOM 0 HE1 TYR A 96 13.546 -0.263 -1.543 1.00 3.24 H new ATOM 0 HE2 TYR A 96 12.259 1.092 -5.374 1.00 52.04 H new ATOM 0 HH TYR A 96 14.513 1.393 -4.312 1.00 72.22 H new ATOM 1548 N LYS A 97 8.827 -5.574 -4.645 1.00 61.11 N ATOM 1549 CA LYS A 97 7.653 -6.446 -4.659 1.00 71.31 C ATOM 1550 C LYS A 97 7.675 -7.457 -3.500 1.00 3.15 C ATOM 1551 O LYS A 97 8.672 -8.150 -3.276 1.00 5.14 O ATOM 1552 CB LYS A 97 7.564 -7.180 -5.998 1.00 13.53 C ATOM 1553 CG LYS A 97 6.192 -7.771 -6.277 1.00 32.13 C ATOM 1554 CD LYS A 97 6.117 -8.364 -7.679 1.00 65.31 C ATOM 1555 CE LYS A 97 4.809 -9.115 -7.910 1.00 65.33 C ATOM 1556 NZ LYS A 97 4.740 -9.700 -9.273 1.00 35.14 N ATOM 0 H LYS A 97 9.417 -5.648 -5.474 1.00 61.11 H new ATOM 0 HA LYS A 97 6.772 -5.818 -4.529 1.00 71.31 H new ATOM 0 HB2 LYS A 97 7.823 -6.489 -6.800 1.00 13.53 H new ATOM 0 HB3 LYS A 97 8.305 -7.979 -6.015 1.00 13.53 H new ATOM 0 HG2 LYS A 97 5.971 -8.544 -5.541 1.00 32.13 H new ATOM 0 HG3 LYS A 97 5.432 -6.998 -6.166 1.00 32.13 H new ATOM 0 HD2 LYS A 97 6.213 -7.567 -8.416 1.00 65.31 H new ATOM 0 HD3 LYS A 97 6.957 -9.042 -7.832 1.00 65.31 H new ATOM 0 HE2 LYS A 97 4.710 -9.908 -7.169 1.00 65.33 H new ATOM 0 HE3 LYS A 97 3.969 -8.435 -7.764 1.00 65.33 H new ATOM 0 HZ1 LYS A 97 3.837 -10.202 -9.390 1.00 35.14 H new ATOM 0 HZ2 LYS A 97 4.809 -8.941 -9.980 1.00 35.14 H new ATOM 0 HZ3 LYS A 97 5.526 -10.368 -9.404 1.00 35.14 H new ATOM 1570 N TRP A 98 6.570 -7.524 -2.765 1.00 54.30 N ATOM 1571 CA TRP A 98 6.443 -8.430 -1.622 1.00 14.13 C ATOM 1572 C TRP A 98 6.340 -9.903 -2.062 1.00 51.23 C ATOM 1573 O TRP A 98 5.392 -10.300 -2.745 1.00 71.30 O ATOM 1574 CB TRP A 98 5.221 -8.030 -0.783 1.00 40.43 C ATOM 1575 CG TRP A 98 4.900 -8.976 0.340 1.00 72.10 C ATOM 1576 CD1 TRP A 98 5.782 -9.632 1.153 1.00 3.44 C ATOM 1577 CD2 TRP A 98 3.592 -9.365 0.773 1.00 52.02 C ATOM 1578 NE1 TRP A 98 5.100 -10.404 2.062 1.00 42.41 N ATOM 1579 CE2 TRP A 98 3.755 -10.257 1.847 1.00 64.34 C ATOM 1580 CE3 TRP A 98 2.298 -9.043 0.354 1.00 25.11 C ATOM 1581 CZ2 TRP A 98 2.673 -10.831 2.508 1.00 10.40 C ATOM 1582 CZ3 TRP A 98 1.224 -9.615 1.008 1.00 13.51 C ATOM 1583 CH2 TRP A 98 1.418 -10.501 2.077 1.00 41.52 C ATOM 0 H TRP A 98 5.740 -6.957 -2.941 1.00 54.30 H new ATOM 0 HA TRP A 98 7.346 -8.341 -1.017 1.00 14.13 H new ATOM 0 HB2 TRP A 98 5.391 -7.037 -0.367 1.00 40.43 H new ATOM 0 HB3 TRP A 98 4.354 -7.957 -1.439 1.00 40.43 H new ATOM 0 HD1 TRP A 98 6.857 -9.555 1.090 1.00 3.44 H new ATOM 0 HE1 TRP A 98 5.526 -10.991 2.780 1.00 42.41 H new ATOM 0 HE3 TRP A 98 2.141 -8.359 -0.467 1.00 25.11 H new ATOM 0 HZ2 TRP A 98 2.820 -11.513 3.332 1.00 10.40 H new ATOM 0 HZ3 TRP A 98 0.220 -9.376 0.691 1.00 13.51 H new ATOM 0 HH2 TRP A 98 0.559 -10.932 2.570 1.00 41.52 H new ATOM 1594 N GLN A 99 7.330 -10.704 -1.660 1.00 12.32 N ATOM 1595 CA GLN A 99 7.331 -12.149 -1.918 1.00 43.40 C ATOM 1596 C GLN A 99 7.487 -12.935 -0.600 1.00 14.32 C ATOM 1597 O GLN A 99 8.603 -13.182 -0.141 1.00 45.44 O ATOM 1598 CB GLN A 99 8.461 -12.528 -2.892 1.00 35.32 C ATOM 1599 CG GLN A 99 8.348 -11.868 -4.264 1.00 32.44 C ATOM 1600 CD GLN A 99 7.051 -12.207 -4.982 1.00 51.12 C ATOM 1601 OE1 GLN A 99 6.487 -13.284 -4.808 1.00 21.42 O ATOM 1602 NE2 GLN A 99 6.571 -11.295 -5.802 1.00 2.23 N ATOM 0 H GLN A 99 8.149 -10.374 -1.150 1.00 12.32 H new ATOM 0 HA GLN A 99 6.376 -12.411 -2.373 1.00 43.40 H new ATOM 0 HB2 GLN A 99 9.417 -12.254 -2.446 1.00 35.32 H new ATOM 0 HB3 GLN A 99 8.468 -13.610 -3.021 1.00 35.32 H new ATOM 0 HG2 GLN A 99 8.420 -10.787 -4.148 1.00 32.44 H new ATOM 0 HG3 GLN A 99 9.191 -12.179 -4.881 1.00 32.44 H new ATOM 0 HE21 GLN A 99 7.063 -10.410 -5.925 1.00 2.23 H new ATOM 0 HE22 GLN A 99 5.707 -11.474 -6.314 1.00 2.23 H new ATOM 1611 N PRO A 100 6.362 -13.325 0.033 1.00 40.54 N ATOM 1612 CA PRO A 100 6.374 -14.045 1.325 1.00 70.35 C ATOM 1613 C PRO A 100 6.680 -15.554 1.195 1.00 72.11 C ATOM 1614 O PRO A 100 6.165 -16.365 1.969 1.00 73.32 O ATOM 1615 CB PRO A 100 4.937 -13.835 1.821 1.00 24.03 C ATOM 1616 CG PRO A 100 4.125 -13.786 0.570 1.00 51.51 C ATOM 1617 CD PRO A 100 4.985 -13.076 -0.446 1.00 60.13 C ATOM 0 HA PRO A 100 7.155 -13.676 1.989 1.00 70.35 H new ATOM 0 HB2 PRO A 100 4.617 -14.648 2.473 1.00 24.03 H new ATOM 0 HB3 PRO A 100 4.844 -12.912 2.394 1.00 24.03 H new ATOM 0 HG2 PRO A 100 3.866 -14.789 0.231 1.00 51.51 H new ATOM 0 HG3 PRO A 100 3.188 -13.253 0.732 1.00 51.51 H new ATOM 0 HD2 PRO A 100 4.831 -13.473 -1.449 1.00 60.13 H new ATOM 0 HD3 PRO A 100 4.761 -12.010 -0.487 1.00 60.13 H new ATOM 1625 N LEU A 101 7.528 -15.929 0.235 1.00 42.43 N ATOM 1626 CA LEU A 101 7.828 -17.349 -0.022 1.00 33.34 C ATOM 1627 C LEU A 101 9.339 -17.619 -0.151 1.00 14.34 C ATOM 1628 O LEU A 101 9.937 -17.409 -1.212 1.00 12.10 O ATOM 1629 CB LEU A 101 7.100 -17.826 -1.292 1.00 14.14 C ATOM 1630 CG LEU A 101 5.561 -17.812 -1.223 1.00 50.21 C ATOM 1631 CD1 LEU A 101 4.955 -18.242 -2.558 1.00 52.03 C ATOM 1632 CD2 LEU A 101 5.066 -18.711 -0.086 1.00 54.23 C ATOM 0 H LEU A 101 8.019 -15.277 -0.377 1.00 42.43 H new ATOM 0 HA LEU A 101 7.470 -17.911 0.841 1.00 33.34 H new ATOM 0 HB2 LEU A 101 7.414 -17.199 -2.126 1.00 14.14 H new ATOM 0 HB3 LEU A 101 7.426 -18.841 -1.516 1.00 14.14 H new ATOM 0 HG LEU A 101 5.236 -16.792 -1.018 1.00 50.21 H new ATOM 0 HD11 LEU A 101 3.867 -18.225 -2.486 1.00 52.03 H new ATOM 0 HD12 LEU A 101 5.278 -17.557 -3.342 1.00 52.03 H new ATOM 0 HD13 LEU A 101 5.287 -19.252 -2.800 1.00 52.03 H new ATOM 0 HD21 LEU A 101 3.977 -18.689 -0.052 1.00 54.23 H new ATOM 0 HD22 LEU A 101 5.403 -19.733 -0.258 1.00 54.23 H new ATOM 0 HD23 LEU A 101 5.466 -18.352 0.862 1.00 54.23 H new ATOM 1644 N GLU A 102 9.949 -18.072 0.942 1.00 23.51 N ATOM 1645 CA GLU A 102 11.351 -18.525 0.932 1.00 13.32 C ATOM 1646 C GLU A 102 11.434 -20.064 0.908 1.00 44.44 C ATOM 1647 O GLU A 102 11.603 -20.639 -0.190 1.00 36.71 O ATOM 1648 CB GLU A 102 12.100 -17.974 2.155 1.00 4.54 C ATOM 1649 CG GLU A 102 12.372 -16.476 2.090 1.00 31.14 C ATOM 1650 CD GLU A 102 13.384 -16.114 1.014 1.00 14.32 C ATOM 1651 OE1 GLU A 102 14.590 -16.377 1.212 1.00 21.53 O ATOM 1652 OE2 GLU A 102 12.988 -15.564 -0.035 1.00 5.13 O ATOM 0 H GLU A 102 9.497 -18.138 1.854 1.00 23.51 H new ATOM 0 HA GLU A 102 11.823 -18.143 0.027 1.00 13.32 H new ATOM 0 HB2 GLU A 102 11.519 -18.189 3.052 1.00 4.54 H new ATOM 0 HB3 GLU A 102 13.049 -18.501 2.256 1.00 4.54 H new ATOM 0 HG2 GLU A 102 11.438 -15.948 1.898 1.00 31.14 H new ATOM 0 HG3 GLU A 102 12.738 -16.134 3.058 1.00 31.14 H new TER 1659 GLU A 102