USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1047 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 19 TYR OH : rot -151:sc= 0.973 USER MOD Set 1.2: A 102 THR OG1 : rot 14:sc= 2.15 USER MOD Set 2.1: A 100 GLN : amide:sc= 0.707 K(o=2.2,f=-1.3!) USER MOD Set 2.2: A 119 HIS : +bothHN:sc= 1.52 K(o=2.2,f=-11!) USER MOD Set 3.1: A 82 SER OG : rot 171:sc= 0.999 USER MOD Set 3.2: A 93 HIS : no HD1:sc= 0.689 K(o=1.8,f=-7.9!) USER MOD Set 3.3: A 95 GLN : amide:sc= 0.108 K(o=1.8,f=-1.1) USER MOD Set 4.1: A 60 THR OG1 : rot 176:sc= 1.48 USER MOD Set 4.2: A 74 THR OG1 : rot -80:sc= 2.16 USER MOD Set 5.1: A 52 LYS NZ :NH3+ 171:sc= 2.31 (180deg=0.882) USER MOD Set 5.2: A 54 GLN : amide:sc= 1.01 K(o=3.3,f=-7.8!) USER MOD Set 6.1: A 40 THR OG1 : rot -66:sc= 1.64 USER MOD Set 6.2: A 128 TYR OH : rot 143:sc= 2.31 USER MOD Set 7.1: A 29 THR OG1 : rot -143:sc= 0.923 USER MOD Set 7.2: A 58 LYS NZ :NH3+ 171:sc= 2.35 (180deg=1.23) USER MOD Set 8.1: A 9 LYS NZ :NH3+ 154:sc= 1.23 (180deg=-0.0453) USER MOD Set 8.2: A 131 GLN : amide:sc= -0.105! K(o=1.1!,f=-6) USER MOD Single : A 1 VAL N :NH3+ -174:sc= -0.136 (180deg=-0.185) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -150:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 1.15 K(o=1.2,f=-0.31) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 2.05 (180deg=1.89) USER MOD Single : A 22 SER OG : rot 53:sc= 1.21 USER MOD Single : A 31 GLN : amide:sc= 0.278 K(o=0.28,f=-2.8) USER MOD Single : A 34 ASN : amide:sc= -0.428 X(o=-0.43,f=-3e-05) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 1.32 (180deg=1.25) USER MOD Single : A 39 THR OG1 : rot -16:sc= 0.457 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 48 THR OG1 : rot -98:sc= 1.27 USER MOD Single : A 53 THR OG1 : rot 130:sc= 0.816 USER MOD Single : A 55 SER OG : rot -130:sc= -0.907 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.267 K(o=0.27,f=-5.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 2.29 (180deg=2.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0.182 (180deg=-0.162) USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= 1.24 (180deg=1.07) USER MOD Single : A 85 THR OG1 : rot 18:sc= 0.605 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= 1.16 (180deg=0.865) USER MOD Single : A 98 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.3) USER MOD Single : A 103 SER OG : rot 180:sc= -0.157 USER MOD Single : A 108 MET CE :methyl 172:sc= 0 (180deg=-0.0864) USER MOD Single : A 112 LYS NZ :NH3+ -175:sc= 1.07 (180deg=0.936) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 CYS SG : rot 172:sc= -0.416 USER MOD Single : A 125 THR OG1 : rot 72:sc= 0.286 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 155:sc= 2.45 (180deg=2.22) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 10.782 -12.635 -5.119 1.00 0.00 N ATOM 2 CA VAL A 1 10.616 -11.785 -3.952 1.00 0.00 C ATOM 3 C VAL A 1 11.897 -10.990 -3.666 1.00 0.00 C ATOM 4 O VAL A 1 11.823 -9.799 -3.341 1.00 0.00 O ATOM 5 CB VAL A 1 10.103 -12.617 -2.760 1.00 0.00 C ATOM 6 CG1 VAL A 1 11.039 -13.742 -2.314 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.791 -11.736 -1.545 1.00 0.00 C ATOM 0 H1 VAL A 1 9.874 -13.085 -5.353 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.101 -12.060 -5.925 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.490 -13.369 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 1 9.852 -11.033 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 1 9.194 -13.082 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.595 -14.272 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.192 -14.437 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 1 11.998 -13.320 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.432 -12.359 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.695 -11.212 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.024 -11.009 -1.810 1.00 0.00 H new ATOM 19 N ASP A 2 13.054 -11.650 -3.813 1.00 0.00 N ATOM 20 CA ASP A 2 14.418 -11.189 -3.554 1.00 0.00 C ATOM 21 C ASP A 2 14.819 -10.064 -4.515 1.00 0.00 C ATOM 22 O ASP A 2 15.722 -10.194 -5.338 1.00 0.00 O ATOM 23 CB ASP A 2 15.389 -12.380 -3.682 1.00 0.00 C ATOM 24 CG ASP A 2 14.879 -13.628 -2.981 1.00 0.00 C ATOM 25 OD1 ASP A 2 13.879 -14.166 -3.510 1.00 0.00 O ATOM 26 OD2 ASP A 2 15.459 -13.992 -1.937 1.00 0.00 O ATOM 0 H ASP A 2 13.054 -12.613 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 2 14.465 -10.786 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 2 15.550 -12.601 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.356 -12.102 -3.263 1.00 0.00 H new ATOM 31 N ALA A 3 14.115 -8.945 -4.405 1.00 0.00 N ATOM 32 CA ALA A 3 14.185 -7.806 -5.299 1.00 0.00 C ATOM 33 C ALA A 3 13.406 -6.661 -4.663 1.00 0.00 C ATOM 34 O ALA A 3 13.875 -5.528 -4.647 1.00 0.00 O ATOM 35 CB ALA A 3 13.583 -8.165 -6.663 1.00 0.00 C ATOM 0 H ALA A 3 13.446 -8.804 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 3 15.223 -7.513 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.642 -7.301 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.139 -8.995 -7.099 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.540 -8.454 -6.536 1.00 0.00 H new ATOM 41 N PHE A 4 12.213 -6.957 -4.135 1.00 0.00 N ATOM 42 CA PHE A 4 11.319 -5.947 -3.595 1.00 0.00 C ATOM 43 C PHE A 4 11.937 -5.201 -2.416 1.00 0.00 C ATOM 44 O PHE A 4 11.816 -3.980 -2.344 1.00 0.00 O ATOM 45 CB PHE A 4 10.004 -6.607 -3.173 1.00 0.00 C ATOM 46 CG PHE A 4 9.190 -7.189 -4.312 1.00 0.00 C ATOM 47 CD1 PHE A 4 8.888 -6.402 -5.440 1.00 0.00 C ATOM 48 CD2 PHE A 4 8.731 -8.515 -4.249 1.00 0.00 C ATOM 49 CE1 PHE A 4 8.205 -6.961 -6.532 1.00 0.00 C ATOM 50 CE2 PHE A 4 8.048 -9.076 -5.341 1.00 0.00 C ATOM 51 CZ PHE A 4 7.807 -8.307 -6.492 1.00 0.00 C ATOM 0 H PHE A 4 11.847 -7.907 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 4 11.133 -5.211 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.225 -7.401 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.395 -5.870 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.183 -5.363 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.903 -9.104 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.986 -6.357 -7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.708 -10.100 -5.296 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.316 -8.751 -7.345 1.00 0.00 H new ATOM 61 N VAL A 5 12.556 -5.958 -1.505 1.00 0.00 N ATOM 62 CA VAL A 5 13.123 -5.516 -0.234 1.00 0.00 C ATOM 63 C VAL A 5 13.768 -4.129 -0.353 1.00 0.00 C ATOM 64 O VAL A 5 14.866 -4.011 -0.903 1.00 0.00 O ATOM 65 CB VAL A 5 14.150 -6.566 0.246 1.00 0.00 C ATOM 66 CG1 VAL A 5 14.875 -6.113 1.522 1.00 0.00 C ATOM 67 CG2 VAL A 5 13.485 -7.915 0.548 1.00 0.00 C ATOM 0 H VAL A 5 12.681 -6.960 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 5 12.321 -5.426 0.499 1.00 0.00 H new ATOM 0 HB VAL A 5 14.863 -6.674 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.588 -6.879 1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.405 -5.180 1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 5 14.147 -5.958 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.240 -8.626 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.737 -7.785 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.004 -8.294 -0.354 1.00 0.00 H new ATOM 77 N GLY A 6 13.115 -3.087 0.174 1.00 0.00 N ATOM 78 CA GLY A 6 13.696 -1.758 0.307 1.00 0.00 C ATOM 79 C GLY A 6 12.727 -0.654 -0.113 1.00 0.00 C ATOM 80 O GLY A 6 11.518 -0.871 -0.211 1.00 0.00 O ATOM 0 H GLY A 6 12.158 -3.150 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.998 -1.598 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.598 -1.696 -0.301 1.00 0.00 H new ATOM 84 N THR A 7 13.284 0.540 -0.341 1.00 0.00 N ATOM 85 CA THR A 7 12.534 1.760 -0.587 1.00 0.00 C ATOM 86 C THR A 7 12.669 2.185 -2.048 1.00 0.00 C ATOM 87 O THR A 7 13.774 2.432 -2.542 1.00 0.00 O ATOM 88 CB THR A 7 13.009 2.860 0.383 1.00 0.00 C ATOM 89 OG1 THR A 7 13.237 2.296 1.660 1.00 0.00 O ATOM 90 CG2 THR A 7 11.954 3.973 0.475 1.00 0.00 C ATOM 0 H THR A 7 14.294 0.680 -0.358 1.00 0.00 H new ATOM 0 HA THR A 7 11.474 1.583 -0.404 1.00 0.00 H new ATOM 0 HB THR A 7 13.938 3.292 0.011 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.541 2.995 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.299 4.745 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.798 4.409 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.015 3.555 0.840 1.00 0.00 H new ATOM 98 N TRP A 8 11.531 2.310 -2.719 1.00 0.00 N ATOM 99 CA TRP A 8 11.388 2.704 -4.106 1.00 0.00 C ATOM 100 C TRP A 8 10.931 4.159 -4.208 1.00 0.00 C ATOM 101 O TRP A 8 10.477 4.738 -3.222 1.00 0.00 O ATOM 102 CB TRP A 8 10.392 1.746 -4.773 1.00 0.00 C ATOM 103 CG TRP A 8 10.776 0.307 -4.730 1.00 0.00 C ATOM 104 CD1 TRP A 8 10.661 -0.522 -3.667 1.00 0.00 C ATOM 105 CD2 TRP A 8 11.419 -0.481 -5.776 1.00 0.00 C ATOM 106 NE1 TRP A 8 11.188 -1.763 -3.979 1.00 0.00 N ATOM 107 CE2 TRP A 8 11.687 -1.790 -5.264 1.00 0.00 C ATOM 108 CE3 TRP A 8 11.819 -0.226 -7.109 1.00 0.00 C ATOM 109 CZ2 TRP A 8 12.334 -2.774 -6.023 1.00 0.00 C ATOM 110 CZ3 TRP A 8 12.509 -1.191 -7.864 1.00 0.00 C ATOM 111 CH2 TRP A 8 12.772 -2.460 -7.318 1.00 0.00 C ATOM 0 H TRP A 8 10.630 2.126 -2.277 1.00 0.00 H new ATOM 0 HA TRP A 8 12.347 2.641 -4.621 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.421 1.862 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 8 10.268 2.042 -5.815 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.223 -0.255 -2.717 1.00 0.00 H new ATOM 0 HE1 TRP A 8 11.205 -2.557 -3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.590 0.730 -7.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 12.493 -3.762 -5.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.838 -0.957 -8.866 1.00 0.00 H new ATOM 0 HH2 TRP A 8 13.312 -3.194 -7.897 1.00 0.00 H new ATOM 122 N LYS A 9 11.102 4.765 -5.384 1.00 0.00 N ATOM 123 CA LYS A 9 10.726 6.131 -5.743 1.00 0.00 C ATOM 124 C LYS A 9 9.927 6.078 -7.042 1.00 0.00 C ATOM 125 O LYS A 9 10.336 5.387 -7.974 1.00 0.00 O ATOM 126 CB LYS A 9 11.994 6.976 -5.957 1.00 0.00 C ATOM 127 CG LYS A 9 12.410 7.739 -4.690 1.00 0.00 C ATOM 128 CD LYS A 9 11.948 9.204 -4.753 1.00 0.00 C ATOM 129 CE LYS A 9 12.144 9.972 -3.440 1.00 0.00 C ATOM 130 NZ LYS A 9 13.475 9.768 -2.834 1.00 0.00 N ATOM 0 H LYS A 9 11.539 4.277 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 9 10.131 6.580 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.811 6.327 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.822 7.686 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.980 7.256 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.493 7.700 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.495 9.714 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.893 9.231 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.996 11.036 -3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.378 9.663 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.718 10.590 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.460 8.912 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.185 9.658 -3.586 1.00 0.00 H new ATOM 144 N LEU A 10 8.791 6.779 -7.085 1.00 0.00 N ATOM 145 CA LEU A 10 7.936 6.847 -8.266 1.00 0.00 C ATOM 146 C LEU A 10 8.654 7.585 -9.392 1.00 0.00 C ATOM 147 O LEU A 10 9.146 8.698 -9.177 1.00 0.00 O ATOM 148 CB LEU A 10 6.636 7.555 -7.869 1.00 0.00 C ATOM 149 CG LEU A 10 5.646 7.830 -9.015 1.00 0.00 C ATOM 150 CD1 LEU A 10 4.225 7.907 -8.443 1.00 0.00 C ATOM 151 CD2 LEU A 10 5.906 9.168 -9.727 1.00 0.00 C ATOM 0 H LEU A 10 8.439 7.318 -6.294 1.00 0.00 H new ATOM 0 HA LEU A 10 7.705 5.847 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.131 6.951 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.891 8.505 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 10 5.771 7.018 -9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.518 8.102 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.975 6.962 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.171 8.713 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.175 9.304 -10.524 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.817 9.985 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.910 9.165 -10.151 1.00 0.00 H new ATOM 163 N VAL A 11 8.662 7.018 -10.603 1.00 0.00 N ATOM 164 CA VAL A 11 9.275 7.640 -11.775 1.00 0.00 C ATOM 165 C VAL A 11 8.377 7.480 -13.015 1.00 0.00 C ATOM 166 O VAL A 11 8.863 7.437 -14.141 1.00 0.00 O ATOM 167 CB VAL A 11 10.722 7.119 -11.920 1.00 0.00 C ATOM 168 CG1 VAL A 11 10.812 5.682 -12.439 1.00 0.00 C ATOM 169 CG2 VAL A 11 11.594 8.030 -12.790 1.00 0.00 C ATOM 0 H VAL A 11 8.240 6.109 -10.796 1.00 0.00 H new ATOM 0 HA VAL A 11 9.357 8.720 -11.653 1.00 0.00 H new ATOM 0 HB VAL A 11 11.109 7.128 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.859 5.387 -12.514 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.295 5.013 -11.750 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.346 5.621 -13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.600 7.615 -12.857 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.163 8.100 -13.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.640 9.023 -12.344 1.00 0.00 H new ATOM 179 N ASP A 12 7.056 7.443 -12.806 1.00 0.00 N ATOM 180 CA ASP A 12 6.037 7.379 -13.848 1.00 0.00 C ATOM 181 C ASP A 12 4.668 7.613 -13.194 1.00 0.00 C ATOM 182 O ASP A 12 4.537 7.471 -11.980 1.00 0.00 O ATOM 183 CB ASP A 12 6.111 6.028 -14.567 1.00 0.00 C ATOM 184 CG ASP A 12 4.800 5.657 -15.235 1.00 0.00 C ATOM 185 OD1 ASP A 12 4.300 6.477 -16.034 1.00 0.00 O ATOM 186 OD2 ASP A 12 4.255 4.595 -14.867 1.00 0.00 O ATOM 0 H ASP A 12 6.657 7.458 -11.868 1.00 0.00 H new ATOM 0 HA ASP A 12 6.200 8.149 -14.602 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.901 6.061 -15.317 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.383 5.253 -13.851 1.00 0.00 H new ATOM 191 N SER A 13 3.675 8.008 -13.994 1.00 0.00 N ATOM 192 CA SER A 13 2.330 8.374 -13.584 1.00 0.00 C ATOM 193 C SER A 13 1.567 8.827 -14.829 1.00 0.00 C ATOM 194 O SER A 13 1.733 9.971 -15.260 1.00 0.00 O ATOM 195 CB SER A 13 2.381 9.509 -12.549 1.00 0.00 C ATOM 196 OG SER A 13 1.094 10.050 -12.321 1.00 0.00 O ATOM 0 H SER A 13 3.802 8.083 -15.003 1.00 0.00 H new ATOM 0 HA SER A 13 1.830 7.522 -13.124 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.792 9.132 -11.612 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.052 10.294 -12.898 1.00 0.00 H new ATOM 0 HG SER A 13 1.175 10.996 -12.078 1.00 0.00 H new ATOM 202 N LYS A 14 0.693 7.977 -15.378 1.00 0.00 N ATOM 203 CA LYS A 14 -0.201 8.363 -16.465 1.00 0.00 C ATOM 204 C LYS A 14 -1.610 7.832 -16.209 1.00 0.00 C ATOM 205 O LYS A 14 -1.766 6.784 -15.576 1.00 0.00 O ATOM 206 CB LYS A 14 0.364 7.859 -17.804 1.00 0.00 C ATOM 207 CG LYS A 14 -0.018 8.729 -19.015 1.00 0.00 C ATOM 208 CD LYS A 14 0.471 10.192 -18.958 1.00 0.00 C ATOM 209 CE LYS A 14 1.986 10.299 -18.717 1.00 0.00 C ATOM 210 NZ LYS A 14 2.435 11.700 -18.597 1.00 0.00 N ATOM 0 H LYS A 14 0.589 7.007 -15.080 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.267 9.450 -16.514 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.451 7.812 -17.733 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.011 6.842 -17.975 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.383 8.264 -19.916 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.104 8.730 -19.113 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.219 10.692 -19.893 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.058 10.717 -18.163 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.247 9.757 -17.808 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.517 9.818 -19.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.462 11.723 -18.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.211 12.213 -19.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.949 12.153 -17.797 1.00 0.00 H new ATOM 224 N ASN A 15 -2.621 8.572 -16.684 1.00 0.00 N ATOM 225 CA ASN A 15 -4.037 8.199 -16.653 1.00 0.00 C ATOM 226 C ASN A 15 -4.473 7.830 -15.227 1.00 0.00 C ATOM 227 O ASN A 15 -5.285 6.938 -15.001 1.00 0.00 O ATOM 228 CB ASN A 15 -4.278 7.092 -17.695 1.00 0.00 C ATOM 229 CG ASN A 15 -5.745 6.934 -18.095 1.00 0.00 C ATOM 230 OD1 ASN A 15 -6.139 7.403 -19.157 1.00 0.00 O ATOM 231 ND2 ASN A 15 -6.561 6.296 -17.266 1.00 0.00 N ATOM 0 H ASN A 15 -2.466 9.482 -17.117 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.668 9.044 -16.929 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.689 7.309 -18.586 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.915 6.145 -17.296 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.546 6.185 -17.505 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.203 5.917 -16.389 1.00 0.00 H new ATOM 238 N PHE A 16 -3.907 8.530 -14.243 1.00 0.00 N ATOM 239 CA PHE A 16 -4.147 8.292 -12.822 1.00 0.00 C ATOM 240 C PHE A 16 -5.362 9.109 -12.351 1.00 0.00 C ATOM 241 O PHE A 16 -5.970 8.859 -11.312 1.00 0.00 O ATOM 242 CB PHE A 16 -2.867 8.679 -12.061 1.00 0.00 C ATOM 243 CG PHE A 16 -2.400 7.691 -11.001 1.00 0.00 C ATOM 244 CD1 PHE A 16 -3.320 6.889 -10.293 1.00 0.00 C ATOM 245 CD2 PHE A 16 -1.022 7.440 -10.861 1.00 0.00 C ATOM 246 CE1 PHE A 16 -2.873 5.757 -9.587 1.00 0.00 C ATOM 247 CE2 PHE A 16 -0.575 6.313 -10.155 1.00 0.00 C ATOM 248 CZ PHE A 16 -1.503 5.442 -9.558 1.00 0.00 C ATOM 0 H PHE A 16 -3.255 9.295 -14.417 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.376 7.243 -12.631 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.063 8.813 -12.785 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.029 9.645 -11.583 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.369 7.145 -10.293 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.305 8.118 -11.299 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.582 5.130 -9.067 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.483 6.114 -10.070 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.165 4.535 -9.079 1.00 0.00 H new ATOM 258 N ASP A 17 -5.681 10.119 -13.148 1.00 0.00 N ATOM 259 CA ASP A 17 -6.604 11.207 -12.927 1.00 0.00 C ATOM 260 C ASP A 17 -7.964 10.715 -13.413 1.00 0.00 C ATOM 261 O ASP A 17 -8.944 10.679 -12.669 1.00 0.00 O ATOM 262 CB ASP A 17 -6.057 12.420 -13.724 1.00 0.00 C ATOM 263 CG ASP A 17 -4.527 12.412 -13.891 1.00 0.00 C ATOM 264 OD1 ASP A 17 -4.039 11.512 -14.620 1.00 0.00 O ATOM 265 OD2 ASP A 17 -3.868 13.220 -13.202 1.00 0.00 O ATOM 0 H ASP A 17 -5.246 10.198 -14.067 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.710 11.517 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.521 12.435 -14.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.354 13.339 -13.219 1.00 0.00 H new ATOM 270 N ASP A 18 -7.974 10.237 -14.658 1.00 0.00 N ATOM 271 CA ASP A 18 -9.054 9.457 -15.241 1.00 0.00 C ATOM 272 C ASP A 18 -9.461 8.301 -14.320 1.00 0.00 C ATOM 273 O ASP A 18 -10.646 8.050 -14.119 1.00 0.00 O ATOM 274 CB ASP A 18 -8.593 8.953 -16.606 1.00 0.00 C ATOM 275 CG ASP A 18 -9.592 7.973 -17.194 1.00 0.00 C ATOM 276 OD1 ASP A 18 -10.750 8.403 -17.381 1.00 0.00 O ATOM 277 OD2 ASP A 18 -9.194 6.808 -17.411 1.00 0.00 O ATOM 0 H ASP A 18 -7.202 10.390 -15.306 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.940 10.080 -15.363 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.465 9.797 -17.284 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.620 8.471 -16.509 1.00 0.00 H new ATOM 282 N TYR A 19 -8.476 7.637 -13.705 1.00 0.00 N ATOM 283 CA TYR A 19 -8.704 6.613 -12.687 1.00 0.00 C ATOM 284 C TYR A 19 -9.694 7.107 -11.612 1.00 0.00 C ATOM 285 O TYR A 19 -10.690 6.442 -11.308 1.00 0.00 O ATOM 286 CB TYR A 19 -7.351 6.172 -12.093 1.00 0.00 C ATOM 287 CG TYR A 19 -7.141 4.672 -11.966 1.00 0.00 C ATOM 288 CD1 TYR A 19 -6.945 3.888 -13.118 1.00 0.00 C ATOM 289 CD2 TYR A 19 -7.076 4.063 -10.701 1.00 0.00 C ATOM 290 CE1 TYR A 19 -6.831 2.491 -13.004 1.00 0.00 C ATOM 291 CE2 TYR A 19 -7.006 2.664 -10.591 1.00 0.00 C ATOM 292 CZ TYR A 19 -6.908 1.878 -11.747 1.00 0.00 C ATOM 293 OH TYR A 19 -6.775 0.527 -11.655 1.00 0.00 O ATOM 0 H TYR A 19 -7.489 7.799 -13.904 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.169 5.740 -13.145 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.553 6.580 -12.713 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.247 6.619 -11.104 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.882 4.358 -14.088 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.080 4.673 -9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.684 1.889 -13.888 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.028 2.196 -9.618 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.283 0.200 -10.884 1.00 0.00 H new ATOM 303 N MET A 20 -9.451 8.299 -11.049 1.00 0.00 N ATOM 304 CA MET A 20 -10.381 8.897 -10.101 1.00 0.00 C ATOM 305 C MET A 20 -11.739 9.164 -10.738 1.00 0.00 C ATOM 306 O MET A 20 -12.750 9.052 -10.045 1.00 0.00 O ATOM 307 CB MET A 20 -9.812 10.178 -9.471 1.00 0.00 C ATOM 308 CG MET A 20 -10.812 10.830 -8.494 1.00 0.00 C ATOM 309 SD MET A 20 -12.010 12.002 -9.208 1.00 0.00 S ATOM 310 CE MET A 20 -12.731 12.691 -7.695 1.00 0.00 C ATOM 0 H MET A 20 -8.620 8.860 -11.237 1.00 0.00 H new ATOM 0 HA MET A 20 -10.524 8.171 -9.301 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.888 9.943 -8.942 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.558 10.888 -10.258 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.369 10.036 -7.997 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.244 11.352 -7.724 1.00 0.00 H new ATOM 0 HE1 MET A 20 -13.488 13.430 -7.957 1.00 0.00 H new ATOM 0 HE2 MET A 20 -13.190 11.891 -7.114 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.949 13.167 -7.103 1.00 0.00 H new ATOM 320 N LYS A 21 -11.774 9.580 -12.005 1.00 0.00 N ATOM 321 CA LYS A 21 -13.004 9.804 -12.764 1.00 0.00 C ATOM 322 C LYS A 21 -13.683 8.459 -13.078 1.00 0.00 C ATOM 323 O LYS A 21 -13.861 8.098 -14.242 1.00 0.00 O ATOM 324 CB LYS A 21 -12.668 10.593 -14.042 1.00 0.00 C ATOM 325 CG LYS A 21 -13.908 11.110 -14.787 1.00 0.00 C ATOM 326 CD LYS A 21 -13.633 11.279 -16.291 1.00 0.00 C ATOM 327 CE LYS A 21 -13.976 10.029 -17.122 1.00 0.00 C ATOM 328 NZ LYS A 21 -13.197 8.830 -16.747 1.00 0.00 N ATOM 0 H LYS A 21 -10.930 9.775 -12.543 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.709 10.391 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.032 11.439 -13.781 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.091 9.955 -14.712 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.736 10.416 -14.643 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.216 12.066 -14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.211 12.124 -16.665 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.581 11.524 -16.435 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.038 9.810 -17.010 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.805 10.247 -18.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.562 8.004 -17.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.196 8.976 -16.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.284 8.665 -15.724 1.00 0.00 H new ATOM 342 N SER A 22 -14.069 7.735 -12.026 1.00 0.00 N ATOM 343 CA SER A 22 -14.630 6.391 -11.990 1.00 0.00 C ATOM 344 C SER A 22 -14.619 5.947 -10.528 1.00 0.00 C ATOM 345 O SER A 22 -15.657 5.620 -9.965 1.00 0.00 O ATOM 346 CB SER A 22 -13.810 5.399 -12.831 1.00 0.00 C ATOM 347 OG SER A 22 -14.203 5.432 -14.186 1.00 0.00 O ATOM 0 H SER A 22 -13.986 8.118 -11.084 1.00 0.00 H new ATOM 0 HA SER A 22 -15.636 6.405 -12.409 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.750 5.640 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.938 4.391 -12.437 1.00 0.00 H new ATOM 0 HG SER A 22 -14.176 6.356 -14.512 1.00 0.00 H new ATOM 353 N LEU A 23 -13.428 5.918 -9.920 1.00 0.00 N ATOM 354 CA LEU A 23 -13.241 5.341 -8.595 1.00 0.00 C ATOM 355 C LEU A 23 -13.580 6.316 -7.468 1.00 0.00 C ATOM 356 O LEU A 23 -14.023 5.903 -6.398 1.00 0.00 O ATOM 357 CB LEU A 23 -11.788 4.906 -8.457 1.00 0.00 C ATOM 358 CG LEU A 23 -11.441 3.738 -9.386 1.00 0.00 C ATOM 359 CD1 LEU A 23 -9.926 3.582 -9.422 1.00 0.00 C ATOM 360 CD2 LEU A 23 -12.040 2.422 -8.884 1.00 0.00 C ATOM 0 H LEU A 23 -12.575 6.293 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.923 4.496 -8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.135 5.750 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.594 4.616 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.849 3.955 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.661 2.754 -10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.474 4.501 -9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.557 3.379 -8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.773 1.616 -9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.649 2.200 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.125 2.512 -8.835 1.00 0.00 H new ATOM 372 N GLY A 24 -13.307 7.609 -7.658 1.00 0.00 N ATOM 373 CA GLY A 24 -13.407 8.561 -6.565 1.00 0.00 C ATOM 374 C GLY A 24 -12.382 8.238 -5.474 1.00 0.00 C ATOM 375 O GLY A 24 -12.763 8.100 -4.311 1.00 0.00 O ATOM 0 H GLY A 24 -13.019 8.011 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.242 9.571 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.413 8.537 -6.145 1.00 0.00 H new ATOM 379 N VAL A 25 -11.102 8.103 -5.851 1.00 0.00 N ATOM 380 CA VAL A 25 -9.994 7.845 -4.927 1.00 0.00 C ATOM 381 C VAL A 25 -8.813 8.776 -5.227 1.00 0.00 C ATOM 382 O VAL A 25 -8.302 9.444 -4.335 1.00 0.00 O ATOM 383 CB VAL A 25 -9.583 6.357 -4.939 1.00 0.00 C ATOM 384 CG1 VAL A 25 -10.775 5.463 -4.579 1.00 0.00 C ATOM 385 CG2 VAL A 25 -8.956 5.861 -6.246 1.00 0.00 C ATOM 0 H VAL A 25 -10.805 8.172 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.334 8.064 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.799 6.287 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.464 4.418 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.135 5.721 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.575 5.613 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.703 4.805 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.666 5.992 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.052 6.433 -6.456 1.00 0.00 H new ATOM 395 N GLY A 26 -8.369 8.809 -6.489 1.00 0.00 N ATOM 396 CA GLY A 26 -7.072 9.352 -6.853 1.00 0.00 C ATOM 397 C GLY A 26 -6.907 10.831 -6.500 1.00 0.00 C ATOM 398 O GLY A 26 -6.027 11.178 -5.722 1.00 0.00 O ATOM 0 H GLY A 26 -8.906 8.457 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.293 8.778 -6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.922 9.224 -7.925 1.00 0.00 H new ATOM 402 N PHE A 27 -7.680 11.712 -7.142 1.00 0.00 N ATOM 403 CA PHE A 27 -7.549 13.170 -7.082 1.00 0.00 C ATOM 404 C PHE A 27 -7.352 13.683 -5.647 1.00 0.00 C ATOM 405 O PHE A 27 -8.324 13.778 -4.907 1.00 0.00 O ATOM 406 CB PHE A 27 -8.744 13.827 -7.792 1.00 0.00 C ATOM 407 CG PHE A 27 -8.438 15.132 -8.502 1.00 0.00 C ATOM 408 CD1 PHE A 27 -8.100 16.277 -7.758 1.00 0.00 C ATOM 409 CD2 PHE A 27 -8.654 15.242 -9.891 1.00 0.00 C ATOM 410 CE1 PHE A 27 -7.993 17.525 -8.395 1.00 0.00 C ATOM 411 CE2 PHE A 27 -8.582 16.496 -10.519 1.00 0.00 C ATOM 412 CZ PHE A 27 -8.255 17.638 -9.771 1.00 0.00 C ATOM 0 H PHE A 27 -8.448 11.415 -7.744 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.641 13.458 -7.612 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.146 13.122 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.528 14.008 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.922 16.197 -6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.875 14.360 -10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.709 18.398 -7.826 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.778 16.582 -11.578 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.205 18.603 -10.253 1.00 0.00 H new ATOM 422 N ALA A 28 -6.094 14.005 -5.303 1.00 0.00 N ATOM 423 CA ALA A 28 -5.555 14.424 -4.003 1.00 0.00 C ATOM 424 C ALA A 28 -4.249 13.673 -3.726 1.00 0.00 C ATOM 425 O ALA A 28 -3.289 14.239 -3.196 1.00 0.00 O ATOM 426 CB ALA A 28 -6.522 14.224 -2.832 1.00 0.00 C ATOM 0 H ALA A 28 -5.354 13.974 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.382 15.498 -4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.049 14.558 -1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.428 14.804 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.778 13.168 -2.748 1.00 0.00 H new ATOM 432 N THR A 29 -4.213 12.389 -4.077 1.00 0.00 N ATOM 433 CA THR A 29 -3.070 11.496 -3.937 1.00 0.00 C ATOM 434 C THR A 29 -2.519 11.072 -5.310 1.00 0.00 C ATOM 435 O THR A 29 -1.327 10.818 -5.420 1.00 0.00 O ATOM 436 CB THR A 29 -3.454 10.322 -3.019 1.00 0.00 C ATOM 437 OG1 THR A 29 -3.919 10.873 -1.792 1.00 0.00 O ATOM 438 CG2 THR A 29 -2.262 9.392 -2.737 1.00 0.00 C ATOM 0 H THR A 29 -5.022 11.922 -4.487 1.00 0.00 H new ATOM 0 HA THR A 29 -2.242 12.017 -3.457 1.00 0.00 H new ATOM 0 HB THR A 29 -4.220 9.723 -3.512 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.626 10.307 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.581 8.579 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.892 8.980 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.467 9.957 -2.250 1.00 0.00 H new ATOM 446 N ARG A 30 -3.329 11.052 -6.375 1.00 0.00 N ATOM 447 CA ARG A 30 -2.828 10.797 -7.726 1.00 0.00 C ATOM 448 C ARG A 30 -1.919 11.934 -8.194 1.00 0.00 C ATOM 449 O ARG A 30 -0.887 11.688 -8.810 1.00 0.00 O ATOM 450 CB ARG A 30 -3.981 10.538 -8.716 1.00 0.00 C ATOM 451 CG ARG A 30 -4.897 11.745 -8.982 1.00 0.00 C ATOM 452 CD ARG A 30 -4.504 12.634 -10.174 1.00 0.00 C ATOM 453 NE ARG A 30 -5.291 13.885 -10.176 1.00 0.00 N ATOM 454 CZ ARG A 30 -4.865 15.077 -10.637 1.00 0.00 C ATOM 455 NH1 ARG A 30 -3.811 15.152 -11.451 1.00 0.00 N ATOM 456 NH2 ARG A 30 -5.490 16.196 -10.260 1.00 0.00 N ATOM 0 H ARG A 30 -4.335 11.210 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.227 9.888 -7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.557 10.207 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.589 9.717 -8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.911 11.379 -9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.922 12.363 -8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.441 12.868 -10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.668 12.094 -11.106 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.237 13.842 -9.796 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.320 14.302 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.496 16.059 -11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.287 16.146 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.170 17.100 -10.607 1.00 0.00 H new ATOM 470 N GLN A 31 -2.316 13.183 -7.911 1.00 0.00 N ATOM 471 CA GLN A 31 -1.646 14.388 -8.392 1.00 0.00 C ATOM 472 C GLN A 31 -0.156 14.363 -8.056 1.00 0.00 C ATOM 473 O GLN A 31 0.676 14.746 -8.869 1.00 0.00 O ATOM 474 CB GLN A 31 -2.388 15.645 -7.901 1.00 0.00 C ATOM 475 CG GLN A 31 -2.597 15.768 -6.380 1.00 0.00 C ATOM 476 CD GLN A 31 -1.362 16.243 -5.619 1.00 0.00 C ATOM 477 OE1 GLN A 31 -0.501 16.923 -6.168 1.00 0.00 O ATOM 478 NE2 GLN A 31 -1.269 15.891 -4.341 1.00 0.00 N ATOM 0 H GLN A 31 -3.129 13.382 -7.329 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.690 14.420 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.837 16.522 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.365 15.675 -8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.416 16.462 -6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.903 14.799 -5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.002 15.325 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.465 16.187 -3.788 1.00 0.00 H new ATOM 487 N VAL A 32 0.158 13.819 -6.881 1.00 0.00 N ATOM 488 CA VAL A 32 1.495 13.497 -6.409 1.00 0.00 C ATOM 489 C VAL A 32 2.343 12.927 -7.556 1.00 0.00 C ATOM 490 O VAL A 32 3.452 13.391 -7.814 1.00 0.00 O ATOM 491 CB VAL A 32 1.350 12.473 -5.268 1.00 0.00 C ATOM 492 CG1 VAL A 32 2.690 12.024 -4.692 1.00 0.00 C ATOM 493 CG2 VAL A 32 0.475 12.989 -4.115 1.00 0.00 C ATOM 0 H VAL A 32 -0.559 13.579 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 32 2.002 14.391 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 32 0.862 11.618 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.519 11.303 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.287 11.560 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.223 12.888 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.408 12.226 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.919 13.893 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.524 13.215 -4.489 1.00 0.00 H new ATOM 503 N GLY A 33 1.815 11.924 -8.262 1.00 0.00 N ATOM 504 CA GLY A 33 2.518 11.234 -9.330 1.00 0.00 C ATOM 505 C GLY A 33 2.999 12.174 -10.436 1.00 0.00 C ATOM 506 O GLY A 33 3.985 11.875 -11.106 1.00 0.00 O ATOM 0 H GLY A 33 0.873 11.568 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.375 10.707 -8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.860 10.480 -9.762 1.00 0.00 H new ATOM 510 N ASN A 34 2.312 13.305 -10.625 1.00 0.00 N ATOM 511 CA ASN A 34 2.656 14.336 -11.596 1.00 0.00 C ATOM 512 C ASN A 34 2.982 15.661 -10.904 1.00 0.00 C ATOM 513 O ASN A 34 2.876 16.716 -11.524 1.00 0.00 O ATOM 514 CB ASN A 34 1.534 14.471 -12.642 1.00 0.00 C ATOM 515 CG ASN A 34 0.147 14.740 -12.048 1.00 0.00 C ATOM 516 OD1 ASN A 34 -0.202 15.863 -11.694 1.00 0.00 O ATOM 517 ND2 ASN A 34 -0.685 13.702 -11.971 1.00 0.00 N ATOM 0 H ASN A 34 1.475 13.531 -10.087 1.00 0.00 H new ATOM 0 HA ASN A 34 3.562 14.039 -12.125 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.787 15.281 -13.326 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.492 13.556 -13.233 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.631 13.832 -11.613 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.376 12.777 -12.270 1.00 0.00 H new ATOM 524 N MET A 35 3.414 15.622 -9.636 1.00 0.00 N ATOM 525 CA MET A 35 3.695 16.827 -8.861 1.00 0.00 C ATOM 526 C MET A 35 4.752 16.603 -7.769 1.00 0.00 C ATOM 527 O MET A 35 5.081 17.534 -7.034 1.00 0.00 O ATOM 528 CB MET A 35 2.363 17.323 -8.273 1.00 0.00 C ATOM 529 CG MET A 35 2.382 18.786 -7.819 1.00 0.00 C ATOM 530 SD MET A 35 0.749 19.390 -7.318 1.00 0.00 S ATOM 531 CE MET A 35 1.145 21.126 -6.984 1.00 0.00 C ATOM 0 H MET A 35 3.576 14.755 -9.125 1.00 0.00 H new ATOM 0 HA MET A 35 4.127 17.583 -9.517 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.580 17.197 -9.020 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.097 16.694 -7.423 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.075 18.893 -6.985 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.761 19.408 -8.630 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.245 21.649 -6.662 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.898 21.183 -6.198 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.531 21.592 -7.891 1.00 0.00 H new ATOM 541 N THR A 36 5.259 15.380 -7.592 1.00 0.00 N ATOM 542 CA THR A 36 6.059 15.006 -6.434 1.00 0.00 C ATOM 543 C THR A 36 6.912 13.774 -6.773 1.00 0.00 C ATOM 544 O THR A 36 6.732 13.140 -7.814 1.00 0.00 O ATOM 545 CB THR A 36 5.098 14.749 -5.252 1.00 0.00 C ATOM 546 OG1 THR A 36 4.160 15.795 -5.124 1.00 0.00 O ATOM 547 CG2 THR A 36 5.770 14.620 -3.889 1.00 0.00 C ATOM 0 H THR A 36 5.122 14.619 -8.257 1.00 0.00 H new ATOM 0 HA THR A 36 6.749 15.802 -6.153 1.00 0.00 H new ATOM 0 HB THR A 36 4.637 13.795 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.562 15.608 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.013 14.441 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.472 13.786 -3.907 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.307 15.541 -3.659 1.00 0.00 H new ATOM 555 N LYS A 37 7.852 13.430 -5.889 1.00 0.00 N ATOM 556 CA LYS A 37 8.638 12.201 -5.932 1.00 0.00 C ATOM 557 C LYS A 37 8.332 11.370 -4.682 1.00 0.00 C ATOM 558 O LYS A 37 9.166 11.299 -3.780 1.00 0.00 O ATOM 559 CB LYS A 37 10.127 12.578 -6.039 1.00 0.00 C ATOM 560 CG LYS A 37 10.502 12.839 -7.503 1.00 0.00 C ATOM 561 CD LYS A 37 10.909 11.519 -8.182 1.00 0.00 C ATOM 562 CE LYS A 37 10.641 11.534 -9.691 1.00 0.00 C ATOM 563 NZ LYS A 37 9.218 11.270 -9.992 1.00 0.00 N ATOM 0 H LYS A 37 8.093 14.024 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 37 8.382 11.592 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.329 13.466 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.743 11.775 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.658 13.284 -8.030 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.323 13.554 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.969 11.334 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.361 10.694 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.927 12.502 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.262 10.783 -10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.992 11.627 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.039 10.246 -9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.620 11.751 -9.291 1.00 0.00 H new ATOM 577 N PRO A 38 7.145 10.747 -4.600 1.00 0.00 N ATOM 578 CA PRO A 38 6.771 9.932 -3.459 1.00 0.00 C ATOM 579 C PRO A 38 7.613 8.660 -3.434 1.00 0.00 C ATOM 580 O PRO A 38 8.154 8.230 -4.459 1.00 0.00 O ATOM 581 CB PRO A 38 5.287 9.615 -3.649 1.00 0.00 C ATOM 582 CG PRO A 38 5.163 9.570 -5.169 1.00 0.00 C ATOM 583 CD PRO A 38 6.099 10.700 -5.609 1.00 0.00 C ATOM 0 HA PRO A 38 6.942 10.441 -2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.011 8.666 -3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.647 10.380 -3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.472 8.606 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.138 9.740 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.515 10.504 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.568 11.650 -5.669 1.00 0.00 H new ATOM 591 N THR A 39 7.704 8.064 -2.245 1.00 0.00 N ATOM 592 CA THR A 39 8.405 6.815 -2.026 1.00 0.00 C ATOM 593 C THR A 39 7.403 5.668 -1.953 1.00 0.00 C ATOM 594 O THR A 39 6.210 5.887 -1.732 1.00 0.00 O ATOM 595 CB THR A 39 9.236 6.889 -0.739 1.00 0.00 C ATOM 596 OG1 THR A 39 8.444 7.188 0.391 1.00 0.00 O ATOM 597 CG2 THR A 39 10.374 7.909 -0.847 1.00 0.00 C ATOM 0 H THR A 39 7.283 8.448 -1.399 1.00 0.00 H new ATOM 0 HA THR A 39 9.084 6.636 -2.860 1.00 0.00 H new ATOM 0 HB THR A 39 9.667 5.896 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.575 7.533 0.099 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.936 7.928 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.038 7.628 -1.664 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.959 8.898 -1.041 1.00 0.00 H new ATOM 605 N THR A 40 7.908 4.441 -2.075 1.00 0.00 N ATOM 606 CA THR A 40 7.188 3.241 -1.692 1.00 0.00 C ATOM 607 C THR A 40 8.133 2.342 -0.913 1.00 0.00 C ATOM 608 O THR A 40 9.102 1.835 -1.464 1.00 0.00 O ATOM 609 CB THR A 40 6.556 2.567 -2.924 1.00 0.00 C ATOM 610 OG1 THR A 40 5.263 3.075 -3.090 1.00 0.00 O ATOM 611 CG2 THR A 40 6.416 1.049 -2.827 1.00 0.00 C ATOM 0 H THR A 40 8.840 4.257 -2.447 1.00 0.00 H new ATOM 0 HA THR A 40 6.349 3.481 -1.039 1.00 0.00 H new ATOM 0 HB THR A 40 7.230 2.782 -3.753 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.704 2.800 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.961 0.666 -3.741 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.401 0.600 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.786 0.795 -1.975 1.00 0.00 H new ATOM 619 N ILE A 41 7.855 2.157 0.373 1.00 0.00 N ATOM 620 CA ILE A 41 8.573 1.199 1.195 1.00 0.00 C ATOM 621 C ILE A 41 7.954 -0.158 0.879 1.00 0.00 C ATOM 622 O ILE A 41 6.728 -0.268 0.935 1.00 0.00 O ATOM 623 CB ILE A 41 8.424 1.587 2.680 1.00 0.00 C ATOM 624 CG1 ILE A 41 9.103 2.942 2.957 1.00 0.00 C ATOM 625 CG2 ILE A 41 9.016 0.497 3.582 1.00 0.00 C ATOM 626 CD1 ILE A 41 8.679 3.560 4.293 1.00 0.00 C ATOM 0 H ILE A 41 7.126 2.668 0.871 1.00 0.00 H new ATOM 0 HA ILE A 41 9.644 1.176 0.991 1.00 0.00 H new ATOM 0 HB ILE A 41 7.362 1.682 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.185 2.808 2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.863 3.634 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.902 0.787 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.493 -0.443 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.074 0.371 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.190 4.513 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.601 3.723 4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.943 2.884 5.107 1.00 0.00 H new ATOM 638 N ILE A 42 8.773 -1.157 0.527 1.00 0.00 N ATOM 639 CA ILE A 42 8.362 -2.553 0.479 1.00 0.00 C ATOM 640 C ILE A 42 9.258 -3.332 1.440 1.00 0.00 C ATOM 641 O ILE A 42 10.448 -3.502 1.163 1.00 0.00 O ATOM 642 CB ILE A 42 8.471 -3.155 -0.935 1.00 0.00 C ATOM 643 CG1 ILE A 42 7.844 -2.306 -2.050 1.00 0.00 C ATOM 644 CG2 ILE A 42 7.835 -4.555 -0.914 1.00 0.00 C ATOM 645 CD1 ILE A 42 6.320 -2.234 -1.966 1.00 0.00 C ATOM 0 H ILE A 42 9.748 -1.010 0.266 1.00 0.00 H new ATOM 0 HA ILE A 42 7.312 -2.618 0.765 1.00 0.00 H new ATOM 0 HB ILE A 42 9.533 -3.195 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.252 -1.296 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.129 -2.720 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.902 -5.000 -1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.364 -5.184 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.788 -4.475 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.939 -1.620 -2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.903 -3.238 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.029 -1.793 -1.013 1.00 0.00 H new ATOM 657 N GLU A 43 8.693 -3.816 2.547 1.00 0.00 N ATOM 658 CA GLU A 43 9.413 -4.634 3.514 1.00 0.00 C ATOM 659 C GLU A 43 8.837 -6.045 3.483 1.00 0.00 C ATOM 660 O GLU A 43 7.660 -6.259 3.777 1.00 0.00 O ATOM 661 CB GLU A 43 9.345 -3.997 4.906 1.00 0.00 C ATOM 662 CG GLU A 43 10.216 -2.737 4.953 1.00 0.00 C ATOM 663 CD GLU A 43 10.000 -1.966 6.248 1.00 0.00 C ATOM 664 OE1 GLU A 43 8.925 -1.339 6.352 1.00 0.00 O ATOM 665 OE2 GLU A 43 10.911 -2.028 7.101 1.00 0.00 O ATOM 0 H GLU A 43 7.718 -3.649 2.796 1.00 0.00 H new ATOM 0 HA GLU A 43 10.470 -4.693 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.313 -3.744 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.683 -4.710 5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.266 -3.014 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.981 -2.097 4.102 1.00 0.00 H new ATOM 672 N VAL A 44 9.666 -7.009 3.081 1.00 0.00 N ATOM 673 CA VAL A 44 9.307 -8.414 3.082 1.00 0.00 C ATOM 674 C VAL A 44 9.425 -8.916 4.520 1.00 0.00 C ATOM 675 O VAL A 44 10.471 -9.410 4.934 1.00 0.00 O ATOM 676 CB VAL A 44 10.192 -9.185 2.090 1.00 0.00 C ATOM 677 CG1 VAL A 44 9.791 -10.664 2.010 1.00 0.00 C ATOM 678 CG2 VAL A 44 10.064 -8.583 0.683 1.00 0.00 C ATOM 0 H VAL A 44 10.612 -6.828 2.744 1.00 0.00 H new ATOM 0 HA VAL A 44 8.282 -8.572 2.746 1.00 0.00 H new ATOM 0 HB VAL A 44 11.218 -9.107 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.438 -11.178 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.895 -11.123 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.755 -10.743 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.696 -9.139 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.026 -8.643 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.379 -7.540 0.704 1.00 0.00 H new ATOM 688 N ASN A 45 8.351 -8.736 5.289 1.00 0.00 N ATOM 689 CA ASN A 45 8.204 -9.321 6.617 1.00 0.00 C ATOM 690 C ASN A 45 8.504 -10.822 6.569 1.00 0.00 C ATOM 691 O ASN A 45 8.351 -11.445 5.524 1.00 0.00 O ATOM 692 CB ASN A 45 6.779 -9.096 7.142 1.00 0.00 C ATOM 693 CG ASN A 45 6.495 -7.651 7.544 1.00 0.00 C ATOM 694 OD1 ASN A 45 7.266 -6.744 7.254 1.00 0.00 O ATOM 695 ND2 ASN A 45 5.377 -7.424 8.229 1.00 0.00 N ATOM 0 H ASN A 45 7.551 -8.173 5.002 1.00 0.00 H new ATOM 0 HA ASN A 45 8.912 -8.836 7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.066 -9.397 6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.612 -9.743 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.144 -6.476 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.753 -8.198 8.457 1.00 0.00 H new ATOM 702 N GLY A 46 8.922 -11.393 7.705 1.00 0.00 N ATOM 703 CA GLY A 46 9.392 -12.770 7.861 1.00 0.00 C ATOM 704 C GLY A 46 8.889 -13.758 6.805 1.00 0.00 C ATOM 705 O GLY A 46 9.694 -14.377 6.112 1.00 0.00 O ATOM 0 H GLY A 46 8.942 -10.878 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.482 -12.768 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.090 -13.130 8.844 1.00 0.00 H new ATOM 709 N ASP A 47 7.566 -13.915 6.699 1.00 0.00 N ATOM 710 CA ASP A 47 6.906 -14.831 5.780 1.00 0.00 C ATOM 711 C ASP A 47 5.899 -14.104 4.874 1.00 0.00 C ATOM 712 O ASP A 47 5.049 -14.760 4.268 1.00 0.00 O ATOM 713 CB ASP A 47 6.170 -15.867 6.642 1.00 0.00 C ATOM 714 CG ASP A 47 4.894 -15.275 7.226 1.00 0.00 C ATOM 715 OD1 ASP A 47 4.966 -14.120 7.703 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.852 -15.954 7.081 1.00 0.00 O ATOM 0 H ASP A 47 6.908 -13.387 7.273 1.00 0.00 H new ATOM 0 HA ASP A 47 7.644 -15.295 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.928 -16.742 6.039 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.821 -16.205 7.448 1.00 0.00 H new ATOM 721 N THR A 48 5.939 -12.773 4.826 1.00 0.00 N ATOM 722 CA THR A 48 4.844 -11.896 4.415 1.00 0.00 C ATOM 723 C THR A 48 5.437 -10.637 3.763 1.00 0.00 C ATOM 724 O THR A 48 6.636 -10.585 3.500 1.00 0.00 O ATOM 725 CB THR A 48 3.991 -11.563 5.663 1.00 0.00 C ATOM 726 OG1 THR A 48 4.760 -11.610 6.847 1.00 0.00 O ATOM 727 CG2 THR A 48 2.813 -12.526 5.815 1.00 0.00 C ATOM 0 H THR A 48 6.777 -12.252 5.085 1.00 0.00 H new ATOM 0 HA THR A 48 4.198 -12.377 3.681 1.00 0.00 H new ATOM 0 HB THR A 48 3.616 -10.551 5.512 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.635 -12.478 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.238 -12.260 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.173 -12.460 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.187 -13.545 5.917 1.00 0.00 H new ATOM 735 N VAL A 49 4.631 -9.606 3.485 1.00 0.00 N ATOM 736 CA VAL A 49 5.150 -8.343 2.974 1.00 0.00 C ATOM 737 C VAL A 49 4.233 -7.184 3.375 1.00 0.00 C ATOM 738 O VAL A 49 3.024 -7.374 3.517 1.00 0.00 O ATOM 739 CB VAL A 49 5.389 -8.460 1.457 1.00 0.00 C ATOM 740 CG1 VAL A 49 4.121 -8.893 0.719 1.00 0.00 C ATOM 741 CG2 VAL A 49 5.908 -7.166 0.824 1.00 0.00 C ATOM 0 H VAL A 49 3.619 -9.626 3.607 1.00 0.00 H new ATOM 0 HA VAL A 49 6.117 -8.119 3.425 1.00 0.00 H new ATOM 0 HB VAL A 49 6.160 -9.223 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.328 -8.965 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.797 -9.865 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.333 -8.159 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.055 -7.318 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.183 -6.368 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.856 -6.890 1.285 1.00 0.00 H new ATOM 751 N ILE A 50 4.814 -5.994 3.565 1.00 0.00 N ATOM 752 CA ILE A 50 4.099 -4.743 3.786 1.00 0.00 C ATOM 753 C ILE A 50 4.568 -3.709 2.762 1.00 0.00 C ATOM 754 O ILE A 50 5.750 -3.687 2.407 1.00 0.00 O ATOM 755 CB ILE A 50 4.230 -4.291 5.258 1.00 0.00 C ATOM 756 CG1 ILE A 50 3.374 -3.041 5.530 1.00 0.00 C ATOM 757 CG2 ILE A 50 5.689 -4.041 5.660 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.278 -2.704 7.021 1.00 0.00 C ATOM 0 H ILE A 50 5.827 -5.877 3.568 1.00 0.00 H new ATOM 0 HA ILE A 50 3.029 -4.877 3.627 1.00 0.00 H new ATOM 0 HB ILE A 50 3.858 -5.110 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.799 -2.191 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.372 -3.198 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.730 -3.725 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.263 -4.959 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.112 -3.260 5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.663 -1.814 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.827 -3.540 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.276 -2.517 7.417 1.00 0.00 H new ATOM 770 N ILE A 51 3.621 -2.909 2.253 1.00 0.00 N ATOM 771 CA ILE A 51 3.806 -1.895 1.223 1.00 0.00 C ATOM 772 C ILE A 51 3.196 -0.570 1.698 1.00 0.00 C ATOM 773 O ILE A 51 2.166 -0.569 2.371 1.00 0.00 O ATOM 774 CB ILE A 51 3.200 -2.363 -0.123 1.00 0.00 C ATOM 775 CG1 ILE A 51 3.145 -1.210 -1.147 1.00 0.00 C ATOM 776 CG2 ILE A 51 1.794 -2.943 0.062 1.00 0.00 C ATOM 777 CD1 ILE A 51 2.887 -1.671 -2.586 1.00 0.00 C ATOM 0 H ILE A 51 2.653 -2.960 2.571 1.00 0.00 H new ATOM 0 HA ILE A 51 4.871 -1.739 1.052 1.00 0.00 H new ATOM 0 HB ILE A 51 3.856 -3.146 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.361 -0.513 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.087 -0.662 -1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.401 -3.261 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.839 -3.800 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.140 -2.182 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.862 -0.804 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.684 -2.345 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.931 -2.192 -2.635 1.00 0.00 H new ATOM 789 N LYS A 52 3.823 0.548 1.314 1.00 0.00 N ATOM 790 CA LYS A 52 3.394 1.926 1.559 1.00 0.00 C ATOM 791 C LYS A 52 3.536 2.705 0.241 1.00 0.00 C ATOM 792 O LYS A 52 4.411 2.355 -0.549 1.00 0.00 O ATOM 793 CB LYS A 52 4.332 2.512 2.639 1.00 0.00 C ATOM 794 CG LYS A 52 3.657 2.883 3.970 1.00 0.00 C ATOM 795 CD LYS A 52 3.488 4.402 4.078 1.00 0.00 C ATOM 796 CE LYS A 52 2.883 4.864 5.409 1.00 0.00 C ATOM 797 NZ LYS A 52 3.739 4.548 6.569 1.00 0.00 N ATOM 0 H LYS A 52 4.698 0.510 0.791 1.00 0.00 H new ATOM 0 HA LYS A 52 2.360 1.984 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.122 1.788 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.812 3.403 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.684 2.397 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.257 2.517 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.461 4.877 3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.853 4.747 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.714 5.940 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.909 4.392 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.359 5.013 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.757 3.519 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.705 4.889 6.391 1.00 0.00 H new ATOM 811 N THR A 53 2.750 3.768 0.000 1.00 0.00 N ATOM 812 CA THR A 53 3.101 4.802 -0.990 1.00 0.00 C ATOM 813 C THR A 53 3.410 6.093 -0.226 1.00 0.00 C ATOM 814 O THR A 53 2.699 7.087 -0.353 1.00 0.00 O ATOM 815 CB THR A 53 2.007 5.007 -2.062 1.00 0.00 C ATOM 816 OG1 THR A 53 1.681 3.789 -2.692 1.00 0.00 O ATOM 817 CG2 THR A 53 2.473 5.965 -3.168 1.00 0.00 C ATOM 0 H THR A 53 1.865 3.934 0.479 1.00 0.00 H new ATOM 0 HA THR A 53 3.978 4.479 -1.552 1.00 0.00 H new ATOM 0 HB THR A 53 1.144 5.419 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.708 3.669 -2.689 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.678 6.085 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.713 6.935 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.359 5.556 -3.654 1.00 0.00 H new ATOM 825 N GLN A 54 4.451 6.081 0.615 1.00 0.00 N ATOM 826 CA GLN A 54 4.742 7.206 1.493 1.00 0.00 C ATOM 827 C GLN A 54 5.026 8.470 0.680 1.00 0.00 C ATOM 828 O GLN A 54 6.055 8.587 0.010 1.00 0.00 O ATOM 829 CB GLN A 54 5.827 6.847 2.515 1.00 0.00 C ATOM 830 CG GLN A 54 5.507 7.460 3.883 1.00 0.00 C ATOM 831 CD GLN A 54 6.346 6.832 4.992 1.00 0.00 C ATOM 832 OE1 GLN A 54 5.827 6.091 5.829 1.00 0.00 O ATOM 833 NE2 GLN A 54 7.648 7.097 4.996 1.00 0.00 N ATOM 0 H GLN A 54 5.103 5.301 0.701 1.00 0.00 H new ATOM 0 HA GLN A 54 3.859 7.435 2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.904 5.764 2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.795 7.207 2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.690 8.534 3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.449 7.323 4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.045 7.715 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.251 6.682 5.707 1.00 0.00 H new ATOM 842 N SER A 55 4.065 9.394 0.729 1.00 0.00 N ATOM 843 CA SER A 55 3.978 10.555 -0.126 1.00 0.00 C ATOM 844 C SER A 55 4.110 11.802 0.736 1.00 0.00 C ATOM 845 O SER A 55 3.152 12.181 1.415 1.00 0.00 O ATOM 846 CB SER A 55 2.626 10.520 -0.846 1.00 0.00 C ATOM 847 OG SER A 55 2.496 11.657 -1.668 1.00 0.00 O ATOM 0 H SER A 55 3.298 9.341 1.399 1.00 0.00 H new ATOM 0 HA SER A 55 4.774 10.563 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.546 9.614 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.816 10.492 -0.117 1.00 0.00 H new ATOM 0 HG SER A 55 1.633 12.088 -1.495 1.00 0.00 H new ATOM 853 N THR A 56 5.296 12.416 0.726 1.00 0.00 N ATOM 854 CA THR A 56 5.601 13.665 1.415 1.00 0.00 C ATOM 855 C THR A 56 5.480 13.511 2.932 1.00 0.00 C ATOM 856 O THR A 56 6.486 13.428 3.627 1.00 0.00 O ATOM 857 CB THR A 56 4.744 14.809 0.834 1.00 0.00 C ATOM 858 OG1 THR A 56 4.927 14.835 -0.564 1.00 0.00 O ATOM 859 CG2 THR A 56 5.154 16.166 1.416 1.00 0.00 C ATOM 0 H THR A 56 6.097 12.040 0.218 1.00 0.00 H new ATOM 0 HA THR A 56 6.643 13.931 1.239 1.00 0.00 H new ATOM 0 HB THR A 56 3.700 14.631 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.388 15.556 -0.951 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.531 16.950 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.024 16.152 2.498 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.200 16.363 1.179 1.00 0.00 H new ATOM 867 N PHE A 57 4.248 13.471 3.443 1.00 0.00 N ATOM 868 CA PHE A 57 3.953 13.198 4.841 1.00 0.00 C ATOM 869 C PHE A 57 2.512 12.699 5.008 1.00 0.00 C ATOM 870 O PHE A 57 1.905 12.907 6.054 1.00 0.00 O ATOM 871 CB PHE A 57 4.236 14.454 5.682 1.00 0.00 C ATOM 872 CG PHE A 57 4.792 14.163 7.061 1.00 0.00 C ATOM 873 CD1 PHE A 57 6.161 13.876 7.208 1.00 0.00 C ATOM 874 CD2 PHE A 57 3.958 14.186 8.194 1.00 0.00 C ATOM 875 CE1 PHE A 57 6.702 13.646 8.483 1.00 0.00 C ATOM 876 CE2 PHE A 57 4.500 13.958 9.470 1.00 0.00 C ATOM 877 CZ PHE A 57 5.873 13.696 9.616 1.00 0.00 C ATOM 0 H PHE A 57 3.413 13.632 2.880 1.00 0.00 H new ATOM 0 HA PHE A 57 4.603 12.400 5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.941 15.087 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.313 15.023 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.798 13.832 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.901 14.379 8.083 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.755 13.431 8.593 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.861 13.984 10.340 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.291 13.533 10.599 1.00 0.00 H new ATOM 887 N LYS A 58 1.946 12.053 3.977 1.00 0.00 N ATOM 888 CA LYS A 58 0.587 11.523 4.025 1.00 0.00 C ATOM 889 C LYS A 58 0.461 10.259 3.171 1.00 0.00 C ATOM 890 O LYS A 58 0.241 10.340 1.964 1.00 0.00 O ATOM 891 CB LYS A 58 -0.442 12.615 3.658 1.00 0.00 C ATOM 892 CG LYS A 58 -0.359 13.165 2.219 1.00 0.00 C ATOM 893 CD LYS A 58 -1.618 12.796 1.411 1.00 0.00 C ATOM 894 CE LYS A 58 -1.519 13.287 -0.041 1.00 0.00 C ATOM 895 NZ LYS A 58 -2.776 13.075 -0.794 1.00 0.00 N ATOM 0 H LYS A 58 2.422 11.887 3.090 1.00 0.00 H new ATOM 0 HA LYS A 58 0.361 11.221 5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.442 12.211 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.322 13.447 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.245 14.249 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.525 12.764 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.755 11.715 1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.497 13.233 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.269 14.348 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.705 12.765 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.715 13.555 -1.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.923 12.056 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.575 13.464 -0.253 1.00 0.00 H new ATOM 909 N ASN A 59 0.559 9.077 3.785 1.00 0.00 N ATOM 910 CA ASN A 59 0.066 7.867 3.147 1.00 0.00 C ATOM 911 C ASN A 59 -0.136 6.753 4.164 1.00 0.00 C ATOM 912 O ASN A 59 0.379 6.811 5.279 1.00 0.00 O ATOM 913 CB ASN A 59 0.989 7.380 2.024 1.00 0.00 C ATOM 914 CG ASN A 59 0.242 6.477 1.045 1.00 0.00 C ATOM 915 OD1 ASN A 59 0.584 5.307 0.887 1.00 0.00 O ATOM 916 ND2 ASN A 59 -0.788 7.027 0.411 1.00 0.00 N ATOM 0 H ASN A 59 0.969 8.939 4.708 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.895 8.125 2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.400 8.237 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.832 6.837 2.452 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.339 6.472 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.028 8.004 0.580 1.00 0.00 H new ATOM 923 N THR A 60 -0.887 5.750 3.736 1.00 0.00 N ATOM 924 CA THR A 60 -1.292 4.538 4.413 1.00 0.00 C ATOM 925 C THR A 60 -0.326 3.398 4.068 1.00 0.00 C ATOM 926 O THR A 60 0.592 3.566 3.259 1.00 0.00 O ATOM 927 CB THR A 60 -2.705 4.257 3.875 1.00 0.00 C ATOM 928 OG1 THR A 60 -2.710 4.648 2.509 1.00 0.00 O ATOM 929 CG2 THR A 60 -3.725 5.104 4.643 1.00 0.00 C ATOM 0 H THR A 60 -1.270 5.775 2.791 1.00 0.00 H new ATOM 0 HA THR A 60 -1.283 4.630 5.499 1.00 0.00 H new ATOM 0 HB THR A 60 -2.965 3.205 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.574 4.419 2.106 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.726 4.904 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.684 4.851 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.492 6.161 4.513 1.00 0.00 H new ATOM 937 N GLU A 61 -0.529 2.245 4.712 1.00 0.00 N ATOM 938 CA GLU A 61 0.205 1.013 4.471 1.00 0.00 C ATOM 939 C GLU A 61 -0.810 -0.100 4.228 1.00 0.00 C ATOM 940 O GLU A 61 -1.927 -0.023 4.733 1.00 0.00 O ATOM 941 CB GLU A 61 1.153 0.665 5.644 1.00 0.00 C ATOM 942 CG GLU A 61 1.107 1.632 6.842 1.00 0.00 C ATOM 943 CD GLU A 61 2.337 1.448 7.717 1.00 0.00 C ATOM 944 OE1 GLU A 61 3.331 2.152 7.423 1.00 0.00 O ATOM 945 OE2 GLU A 61 2.266 0.625 8.650 1.00 0.00 O ATOM 0 H GLU A 61 -1.236 2.147 5.441 1.00 0.00 H new ATOM 0 HA GLU A 61 0.843 1.136 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.912 -0.337 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.175 0.632 5.265 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.057 2.661 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.206 1.453 7.428 1.00 0.00 H new ATOM 952 N ILE A 62 -0.413 -1.115 3.460 1.00 0.00 N ATOM 953 CA ILE A 62 -1.185 -2.323 3.208 1.00 0.00 C ATOM 954 C ILE A 62 -0.223 -3.482 3.465 1.00 0.00 C ATOM 955 O ILE A 62 0.943 -3.394 3.079 1.00 0.00 O ATOM 956 CB ILE A 62 -1.731 -2.301 1.762 1.00 0.00 C ATOM 957 CG1 ILE A 62 -2.755 -1.161 1.604 1.00 0.00 C ATOM 958 CG2 ILE A 62 -2.333 -3.653 1.354 1.00 0.00 C ATOM 959 CD1 ILE A 62 -3.325 -1.053 0.185 1.00 0.00 C ATOM 0 H ILE A 62 0.488 -1.114 2.981 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.059 -2.416 3.852 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.895 -2.117 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.574 -1.317 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.281 -0.216 1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.704 -3.592 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.567 -4.426 1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.156 -3.902 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.040 -0.231 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.514 -0.867 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.827 -1.984 -0.077 1.00 0.00 H new ATOM 971 N SER A 63 -0.674 -4.549 4.133 1.00 0.00 N ATOM 972 CA SER A 63 0.154 -5.705 4.460 1.00 0.00 C ATOM 973 C SER A 63 -0.524 -6.972 3.955 1.00 0.00 C ATOM 974 O SER A 63 -1.750 -7.013 3.892 1.00 0.00 O ATOM 975 CB SER A 63 0.427 -5.750 5.969 1.00 0.00 C ATOM 976 OG SER A 63 -0.775 -5.709 6.713 1.00 0.00 O ATOM 0 H SER A 63 -1.635 -4.631 4.464 1.00 0.00 H new ATOM 0 HA SER A 63 1.121 -5.625 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.977 -6.659 6.214 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.060 -4.909 6.251 1.00 0.00 H new ATOM 0 HG SER A 63 -0.568 -5.741 7.670 1.00 0.00 H new ATOM 982 N PHE A 64 0.253 -7.980 3.541 1.00 0.00 N ATOM 983 CA PHE A 64 -0.314 -9.176 2.943 1.00 0.00 C ATOM 984 C PHE A 64 0.640 -10.368 2.966 1.00 0.00 C ATOM 985 O PHE A 64 1.853 -10.232 3.139 1.00 0.00 O ATOM 986 CB PHE A 64 -0.794 -8.874 1.514 1.00 0.00 C ATOM 987 CG PHE A 64 0.266 -8.440 0.519 1.00 0.00 C ATOM 988 CD1 PHE A 64 0.556 -7.075 0.347 1.00 0.00 C ATOM 989 CD2 PHE A 64 0.848 -9.385 -0.344 1.00 0.00 C ATOM 990 CE1 PHE A 64 1.397 -6.660 -0.700 1.00 0.00 C ATOM 991 CE2 PHE A 64 1.717 -8.973 -1.366 1.00 0.00 C ATOM 992 CZ PHE A 64 1.968 -7.606 -1.565 1.00 0.00 C ATOM 0 H PHE A 64 1.271 -7.984 3.612 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.168 -9.467 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.283 -9.766 1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.552 -8.092 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.132 -6.345 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.625 -10.434 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.604 -5.609 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.193 -9.707 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.598 -7.284 -2.381 1.00 0.00 H new ATOM 1002 N LYS A 65 0.046 -11.545 2.757 1.00 0.00 N ATOM 1003 CA LYS A 65 0.695 -12.783 2.370 1.00 0.00 C ATOM 1004 C LYS A 65 0.487 -12.883 0.860 1.00 0.00 C ATOM 1005 O LYS A 65 -0.617 -12.628 0.377 1.00 0.00 O ATOM 1006 CB LYS A 65 -0.012 -13.935 3.105 1.00 0.00 C ATOM 1007 CG LYS A 65 0.647 -15.307 2.952 1.00 0.00 C ATOM 1008 CD LYS A 65 1.880 -15.424 3.857 1.00 0.00 C ATOM 1009 CE LYS A 65 2.430 -16.852 3.847 1.00 0.00 C ATOM 1010 NZ LYS A 65 3.611 -16.962 4.721 1.00 0.00 N ATOM 0 H LYS A 65 -0.962 -11.658 2.862 1.00 0.00 H new ATOM 0 HA LYS A 65 1.756 -12.823 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.063 -13.691 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.038 -14.000 2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.069 -16.089 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.937 -15.462 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.651 -14.731 3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.617 -15.138 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.659 -17.546 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.697 -17.137 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.019 -17.915 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.319 -16.255 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.329 -16.794 5.708 1.00 0.00 H new ATOM 1024 N LEU A 66 1.530 -13.206 0.097 1.00 0.00 N ATOM 1025 CA LEU A 66 1.448 -13.288 -1.356 1.00 0.00 C ATOM 1026 C LEU A 66 0.745 -14.588 -1.774 1.00 0.00 C ATOM 1027 O LEU A 66 1.350 -15.458 -2.395 1.00 0.00 O ATOM 1028 CB LEU A 66 2.838 -13.107 -1.992 1.00 0.00 C ATOM 1029 CG LEU A 66 3.956 -13.936 -1.329 1.00 0.00 C ATOM 1030 CD1 LEU A 66 4.923 -14.444 -2.406 1.00 0.00 C ATOM 1031 CD2 LEU A 66 4.744 -13.111 -0.297 1.00 0.00 C ATOM 0 H LEU A 66 2.455 -13.418 0.471 1.00 0.00 H new ATOM 0 HA LEU A 66 0.837 -12.469 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.779 -13.377 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.110 -12.052 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 66 3.486 -14.772 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.714 -15.030 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.381 -15.068 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.362 -13.595 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.522 -13.732 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.201 -12.253 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.068 -12.763 0.484 1.00 0.00 H new ATOM 1043 N GLY A 67 -0.537 -14.715 -1.419 1.00 0.00 N ATOM 1044 CA GLY A 67 -1.338 -15.909 -1.651 1.00 0.00 C ATOM 1045 C GLY A 67 -2.473 -15.979 -0.632 1.00 0.00 C ATOM 1046 O GLY A 67 -2.543 -16.943 0.127 1.00 0.00 O ATOM 0 H GLY A 67 -1.054 -13.970 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.746 -15.893 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.712 -16.798 -1.573 1.00 0.00 H new ATOM 1050 N VAL A 68 -3.338 -14.957 -0.570 1.00 0.00 N ATOM 1051 CA VAL A 68 -4.418 -14.890 0.421 1.00 0.00 C ATOM 1052 C VAL A 68 -5.429 -13.791 0.064 1.00 0.00 C ATOM 1053 O VAL A 68 -5.080 -12.857 -0.662 1.00 0.00 O ATOM 1054 CB VAL A 68 -3.833 -14.700 1.842 1.00 0.00 C ATOM 1055 CG1 VAL A 68 -3.581 -13.228 2.187 1.00 0.00 C ATOM 1056 CG2 VAL A 68 -4.725 -15.335 2.915 1.00 0.00 C ATOM 0 H VAL A 68 -3.308 -14.158 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.961 -15.835 0.409 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.871 -15.212 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.171 -13.155 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.873 -12.804 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.520 -12.677 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.279 -15.180 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.712 -14.874 2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.819 -16.404 2.724 1.00 0.00 H new ATOM 1066 N GLU A 69 -6.647 -13.887 0.617 1.00 0.00 N ATOM 1067 CA GLU A 69 -7.598 -12.789 0.745 1.00 0.00 C ATOM 1068 C GLU A 69 -7.356 -12.053 2.064 1.00 0.00 C ATOM 1069 O GLU A 69 -6.959 -12.670 3.051 1.00 0.00 O ATOM 1070 CB GLU A 69 -9.036 -13.322 0.804 1.00 0.00 C ATOM 1071 CG GLU A 69 -9.520 -14.035 -0.464 1.00 0.00 C ATOM 1072 CD GLU A 69 -11.031 -14.261 -0.454 1.00 0.00 C ATOM 1073 OE1 GLU A 69 -11.684 -13.804 0.506 1.00 0.00 O ATOM 1074 OE2 GLU A 69 -11.532 -14.821 -1.446 1.00 0.00 O ATOM 0 H GLU A 69 -7.003 -14.764 0.998 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.464 -12.134 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.116 -14.013 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.707 -12.489 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.248 -13.444 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.011 -14.994 -0.557 1.00 0.00 H new ATOM 1081 N PHE A 70 -7.675 -10.760 2.114 1.00 0.00 N ATOM 1082 CA PHE A 70 -7.809 -10.015 3.359 1.00 0.00 C ATOM 1083 C PHE A 70 -8.671 -8.779 3.116 1.00 0.00 C ATOM 1084 O PHE A 70 -8.701 -8.249 2.006 1.00 0.00 O ATOM 1085 CB PHE A 70 -6.435 -9.648 3.935 1.00 0.00 C ATOM 1086 CG PHE A 70 -5.604 -8.727 3.065 1.00 0.00 C ATOM 1087 CD1 PHE A 70 -4.932 -9.235 1.940 1.00 0.00 C ATOM 1088 CD2 PHE A 70 -5.468 -7.369 3.405 1.00 0.00 C ATOM 1089 CE1 PHE A 70 -4.134 -8.389 1.158 1.00 0.00 C ATOM 1090 CE2 PHE A 70 -4.651 -6.530 2.633 1.00 0.00 C ATOM 1091 CZ PHE A 70 -3.992 -7.035 1.502 1.00 0.00 C ATOM 0 H PHE A 70 -7.849 -10.197 1.281 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.302 -10.641 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.579 -9.175 4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.873 -10.566 4.108 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.031 -10.278 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.993 -6.972 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.627 -8.780 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.529 -5.493 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.377 -6.384 0.898 1.00 0.00 H new ATOM 1101 N ASP A 71 -9.397 -8.331 4.142 1.00 0.00 N ATOM 1102 CA ASP A 71 -10.115 -7.068 4.079 1.00 0.00 C ATOM 1103 C ASP A 71 -9.129 -5.948 4.400 1.00 0.00 C ATOM 1104 O ASP A 71 -8.254 -6.139 5.246 1.00 0.00 O ATOM 1105 CB ASP A 71 -11.292 -7.068 5.054 1.00 0.00 C ATOM 1106 CG ASP A 71 -12.256 -5.945 4.716 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -12.990 -6.090 3.713 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.353 -4.957 5.477 1.00 0.00 O ATOM 0 H ASP A 71 -9.500 -8.829 5.026 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.528 -6.917 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.810 -8.026 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.928 -6.949 6.074 1.00 0.00 H new ATOM 1113 N GLU A 72 -9.238 -4.816 3.705 1.00 0.00 N ATOM 1114 CA GLU A 72 -8.323 -3.696 3.822 1.00 0.00 C ATOM 1115 C GLU A 72 -9.126 -2.397 3.816 1.00 0.00 C ATOM 1116 O GLU A 72 -10.258 -2.363 3.327 1.00 0.00 O ATOM 1117 CB GLU A 72 -7.303 -3.782 2.671 1.00 0.00 C ATOM 1118 CG GLU A 72 -6.200 -2.718 2.699 1.00 0.00 C ATOM 1119 CD GLU A 72 -5.468 -2.684 4.033 1.00 0.00 C ATOM 1120 OE1 GLU A 72 -6.004 -1.997 4.930 1.00 0.00 O ATOM 1121 OE2 GLU A 72 -4.422 -3.361 4.136 1.00 0.00 O ATOM 0 H GLU A 72 -9.986 -4.655 3.030 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.766 -3.722 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.837 -4.767 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.839 -3.703 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.486 -2.916 1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.637 -1.739 2.501 1.00 0.00 H new ATOM 1128 N THR A 73 -8.559 -1.326 4.372 1.00 0.00 N ATOM 1129 CA THR A 73 -9.207 -0.028 4.412 1.00 0.00 C ATOM 1130 C THR A 73 -8.161 1.084 4.383 1.00 0.00 C ATOM 1131 O THR A 73 -7.312 1.169 5.266 1.00 0.00 O ATOM 1132 CB THR A 73 -10.196 0.041 5.593 1.00 0.00 C ATOM 1133 OG1 THR A 73 -10.968 1.224 5.517 1.00 0.00 O ATOM 1134 CG2 THR A 73 -9.519 -0.049 6.969 1.00 0.00 C ATOM 0 H THR A 73 -7.636 -1.341 4.806 1.00 0.00 H new ATOM 0 HA THR A 73 -9.815 0.123 3.520 1.00 0.00 H new ATOM 0 HB THR A 73 -10.837 -0.836 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.593 1.256 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.276 0.006 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.982 -0.994 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.817 0.777 7.084 1.00 0.00 H new ATOM 1142 N THR A 74 -8.204 1.930 3.349 1.00 0.00 N ATOM 1143 CA THR A 74 -7.219 2.980 3.152 1.00 0.00 C ATOM 1144 C THR A 74 -7.878 4.188 2.492 1.00 0.00 C ATOM 1145 O THR A 74 -8.767 4.035 1.658 1.00 0.00 O ATOM 1146 CB THR A 74 -6.037 2.417 2.342 1.00 0.00 C ATOM 1147 OG1 THR A 74 -5.048 3.398 2.193 1.00 0.00 O ATOM 1148 CG2 THR A 74 -6.426 1.943 0.945 1.00 0.00 C ATOM 0 H THR A 74 -8.926 1.900 2.629 1.00 0.00 H new ATOM 0 HA THR A 74 -6.822 3.324 4.107 1.00 0.00 H new ATOM 0 HB THR A 74 -5.676 1.557 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.299 4.009 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.544 1.559 0.432 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.173 1.153 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.840 2.778 0.380 1.00 0.00 H new ATOM 1156 N ALA A 75 -7.459 5.395 2.878 1.00 0.00 N ATOM 1157 CA ALA A 75 -8.069 6.640 2.430 1.00 0.00 C ATOM 1158 C ALA A 75 -8.044 6.772 0.906 1.00 0.00 C ATOM 1159 O ALA A 75 -9.001 7.253 0.302 1.00 0.00 O ATOM 1160 CB ALA A 75 -7.348 7.824 3.084 1.00 0.00 C ATOM 0 H ALA A 75 -6.677 5.533 3.518 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.116 6.635 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.803 8.757 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.432 7.747 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.296 7.811 2.800 1.00 0.00 H new ATOM 1166 N ASP A 76 -6.934 6.359 0.295 1.00 0.00 N ATOM 1167 CA ASP A 76 -6.608 6.545 -1.108 1.00 0.00 C ATOM 1168 C ASP A 76 -6.999 5.336 -1.967 1.00 0.00 C ATOM 1169 O ASP A 76 -6.526 5.224 -3.097 1.00 0.00 O ATOM 1170 CB ASP A 76 -5.108 6.891 -1.216 1.00 0.00 C ATOM 1171 CG ASP A 76 -4.159 5.882 -0.559 1.00 0.00 C ATOM 1172 OD1 ASP A 76 -4.651 5.077 0.270 1.00 0.00 O ATOM 1173 OD2 ASP A 76 -2.942 5.993 -0.841 1.00 0.00 O ATOM 0 H ASP A 76 -6.201 5.859 0.798 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.196 7.371 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.846 6.979 -2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.943 7.869 -0.764 1.00 0.00 H new ATOM 1178 N ASP A 77 -7.908 4.483 -1.474 1.00 0.00 N ATOM 1179 CA ASP A 77 -8.469 3.361 -2.233 1.00 0.00 C ATOM 1180 C ASP A 77 -9.914 3.083 -1.802 1.00 0.00 C ATOM 1181 O ASP A 77 -10.790 2.900 -2.641 1.00 0.00 O ATOM 1182 CB ASP A 77 -7.576 2.120 -2.086 1.00 0.00 C ATOM 1183 CG ASP A 77 -7.591 1.229 -3.317 1.00 0.00 C ATOM 1184 OD1 ASP A 77 -8.678 1.002 -3.876 1.00 0.00 O ATOM 1185 OD2 ASP A 77 -6.487 0.739 -3.667 1.00 0.00 O ATOM 0 H ASP A 77 -8.277 4.555 -0.526 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.495 3.626 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.552 2.437 -1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.905 1.543 -1.222 1.00 0.00 H new ATOM 1190 N ARG A 78 -10.156 3.126 -0.483 1.00 0.00 N ATOM 1191 CA ARG A 78 -11.405 2.998 0.280 1.00 0.00 C ATOM 1192 C ARG A 78 -11.339 1.722 1.131 1.00 0.00 C ATOM 1193 O ARG A 78 -10.246 1.223 1.391 1.00 0.00 O ATOM 1194 CB ARG A 78 -12.683 3.143 -0.575 1.00 0.00 C ATOM 1195 CG ARG A 78 -12.794 4.567 -1.146 1.00 0.00 C ATOM 1196 CD ARG A 78 -13.645 4.601 -2.423 1.00 0.00 C ATOM 1197 NE ARG A 78 -13.904 5.991 -2.844 1.00 0.00 N ATOM 1198 CZ ARG A 78 -14.845 6.798 -2.333 1.00 0.00 C ATOM 1199 NH1 ARG A 78 -15.709 6.336 -1.423 1.00 0.00 N ATOM 1200 NH2 ARG A 78 -14.897 8.070 -2.730 1.00 0.00 N ATOM 0 H ARG A 78 -9.375 3.271 0.157 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.491 3.847 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.666 2.419 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.560 2.919 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.234 5.226 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.797 4.951 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.132 4.064 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.590 4.087 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.317 6.370 -3.587 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.654 5.365 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.423 6.954 -1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.226 8.418 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.608 8.694 -2.349 1.00 0.00 H new ATOM 1214 N LYS A 79 -12.488 1.208 1.584 1.00 0.00 N ATOM 1215 CA LYS A 79 -12.611 -0.095 2.218 1.00 0.00 C ATOM 1216 C LYS A 79 -12.781 -1.121 1.102 1.00 0.00 C ATOM 1217 O LYS A 79 -13.739 -1.035 0.334 1.00 0.00 O ATOM 1218 CB LYS A 79 -13.778 -0.069 3.214 1.00 0.00 C ATOM 1219 CG LYS A 79 -13.999 -1.394 3.965 1.00 0.00 C ATOM 1220 CD LYS A 79 -14.859 -2.384 3.161 1.00 0.00 C ATOM 1221 CE LYS A 79 -15.588 -3.385 4.070 1.00 0.00 C ATOM 1222 NZ LYS A 79 -14.691 -4.413 4.632 1.00 0.00 N ATOM 0 H LYS A 79 -13.376 1.705 1.515 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.729 -0.364 2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.601 0.723 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.692 0.188 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.034 -1.850 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.481 -1.191 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.590 -1.832 2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.226 -2.927 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.068 -2.844 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.380 -3.873 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.167 -4.896 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.452 -5.106 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.820 -3.962 4.978 1.00 0.00 H new ATOM 1236 N VAL A 80 -11.844 -2.064 0.993 1.00 0.00 N ATOM 1237 CA VAL A 80 -11.702 -2.949 -0.153 1.00 0.00 C ATOM 1238 C VAL A 80 -11.300 -4.339 0.352 1.00 0.00 C ATOM 1239 O VAL A 80 -10.487 -4.434 1.269 1.00 0.00 O ATOM 1240 CB VAL A 80 -10.644 -2.364 -1.120 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -10.953 -0.915 -1.519 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -9.224 -2.392 -0.530 1.00 0.00 C ATOM 0 H VAL A 80 -11.148 -2.234 1.719 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.642 -3.037 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.689 -3.008 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.181 -0.552 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.922 -0.873 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.976 -0.289 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.523 -1.970 -1.250 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.200 -1.804 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.942 -3.421 -0.309 1.00 0.00 H new ATOM 1252 N LYS A 81 -11.810 -5.421 -0.248 1.00 0.00 N ATOM 1253 CA LYS A 81 -11.170 -6.716 -0.075 1.00 0.00 C ATOM 1254 C LYS A 81 -9.992 -6.754 -1.043 1.00 0.00 C ATOM 1255 O LYS A 81 -10.173 -6.545 -2.242 1.00 0.00 O ATOM 1256 CB LYS A 81 -12.128 -7.900 -0.297 1.00 0.00 C ATOM 1257 CG LYS A 81 -11.374 -9.208 0.001 1.00 0.00 C ATOM 1258 CD LYS A 81 -12.185 -10.481 -0.253 1.00 0.00 C ATOM 1259 CE LYS A 81 -13.208 -10.770 0.855 1.00 0.00 C ATOM 1260 NZ LYS A 81 -13.710 -12.161 0.770 1.00 0.00 N ATOM 0 H LYS A 81 -12.641 -5.422 -0.840 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.837 -6.826 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.998 -7.809 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.496 -7.901 -1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.472 -9.239 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.054 -9.198 1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -12.706 -10.390 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.504 -11.328 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.749 -10.605 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.043 -10.074 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.929 -12.510 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.571 -12.184 0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.983 -12.767 0.338 1.00 0.00 H new ATOM 1274 N SER A 82 -8.803 -7.056 -0.530 1.00 0.00 N ATOM 1275 CA SER A 82 -7.638 -7.378 -1.327 1.00 0.00 C ATOM 1276 C SER A 82 -7.509 -8.893 -1.414 1.00 0.00 C ATOM 1277 O SER A 82 -7.785 -9.594 -0.442 1.00 0.00 O ATOM 1278 CB SER A 82 -6.404 -6.787 -0.649 1.00 0.00 C ATOM 1279 OG SER A 82 -6.376 -5.391 -0.861 1.00 0.00 O ATOM 0 H SER A 82 -8.625 -7.082 0.474 1.00 0.00 H new ATOM 0 HA SER A 82 -7.732 -6.965 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.424 -7.003 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.500 -7.245 -1.051 1.00 0.00 H new ATOM 0 HG SER A 82 -5.671 -4.991 -0.311 1.00 0.00 H new ATOM 1285 N ILE A 83 -7.068 -9.393 -2.566 1.00 0.00 N ATOM 1286 CA ILE A 83 -6.654 -10.771 -2.735 1.00 0.00 C ATOM 1287 C ILE A 83 -5.365 -10.756 -3.552 1.00 0.00 C ATOM 1288 O ILE A 83 -5.295 -10.102 -4.595 1.00 0.00 O ATOM 1289 CB ILE A 83 -7.792 -11.629 -3.321 1.00 0.00 C ATOM 1290 CG1 ILE A 83 -7.249 -13.007 -3.742 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -8.514 -10.914 -4.463 1.00 0.00 C ATOM 1292 CD1 ILE A 83 -8.332 -13.993 -4.198 1.00 0.00 C ATOM 0 H ILE A 83 -6.990 -8.838 -3.418 1.00 0.00 H new ATOM 0 HA ILE A 83 -6.440 -11.253 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.542 -11.786 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.532 -12.871 -4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.705 -13.443 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.309 -11.553 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.944 -9.982 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.805 -10.696 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.868 -14.939 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.037 -14.161 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.861 -13.581 -5.057 1.00 0.00 H new ATOM 1304 N VAL A 84 -4.326 -11.423 -3.045 1.00 0.00 N ATOM 1305 CA VAL A 84 -3.022 -11.465 -3.687 1.00 0.00 C ATOM 1306 C VAL A 84 -2.647 -12.913 -3.974 1.00 0.00 C ATOM 1307 O VAL A 84 -2.909 -13.789 -3.149 1.00 0.00 O ATOM 1308 CB VAL A 84 -1.951 -10.758 -2.840 1.00 0.00 C ATOM 1309 CG1 VAL A 84 -0.685 -10.553 -3.671 1.00 0.00 C ATOM 1310 CG2 VAL A 84 -2.422 -9.381 -2.370 1.00 0.00 C ATOM 0 H VAL A 84 -4.372 -11.950 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.076 -10.923 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.757 -11.390 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.070 -10.052 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.304 -11.520 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.917 -9.941 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.639 -8.912 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.642 -8.757 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.321 -9.491 -1.764 1.00 0.00 H new ATOM 1320 N THR A 85 -2.049 -13.151 -5.144 1.00 0.00 N ATOM 1321 CA THR A 85 -1.448 -14.395 -5.619 1.00 0.00 C ATOM 1322 C THR A 85 -0.478 -13.959 -6.731 1.00 0.00 C ATOM 1323 O THR A 85 -0.452 -12.771 -7.050 1.00 0.00 O ATOM 1324 CB THR A 85 -2.567 -15.351 -6.090 1.00 0.00 C ATOM 1325 OG1 THR A 85 -3.297 -15.810 -4.972 1.00 0.00 O ATOM 1326 CG2 THR A 85 -2.074 -16.607 -6.814 1.00 0.00 C ATOM 0 H THR A 85 -1.967 -12.412 -5.842 1.00 0.00 H new ATOM 0 HA THR A 85 -0.901 -14.954 -4.859 1.00 0.00 H new ATOM 0 HB THR A 85 -3.160 -14.761 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.125 -15.224 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.928 -17.217 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.513 -16.318 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.429 -17.181 -6.148 1.00 0.00 H new ATOM 1334 N LEU A 86 0.338 -14.849 -7.305 1.00 0.00 N ATOM 1335 CA LEU A 86 1.220 -14.514 -8.419 1.00 0.00 C ATOM 1336 C LEU A 86 1.008 -15.438 -9.612 1.00 0.00 C ATOM 1337 O LEU A 86 0.562 -16.572 -9.434 1.00 0.00 O ATOM 1338 CB LEU A 86 2.681 -14.469 -7.930 1.00 0.00 C ATOM 1339 CG LEU A 86 3.292 -15.813 -7.486 1.00 0.00 C ATOM 1340 CD1 LEU A 86 3.889 -16.608 -8.649 1.00 0.00 C ATOM 1341 CD2 LEU A 86 4.426 -15.556 -6.495 1.00 0.00 C ATOM 0 H LEU A 86 0.403 -15.822 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 86 0.968 -13.519 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.298 -14.060 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.741 -13.772 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 86 2.478 -16.388 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.304 -17.544 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.110 -16.823 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.679 -16.024 -9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.858 -16.507 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.195 -14.948 -6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.036 -15.030 -5.624 1.00 0.00 H new ATOM 1353 N ASP A 87 1.321 -14.932 -10.811 1.00 0.00 N ATOM 1354 CA ASP A 87 1.288 -15.664 -12.072 1.00 0.00 C ATOM 1355 C ASP A 87 2.589 -15.389 -12.824 1.00 0.00 C ATOM 1356 O ASP A 87 3.121 -14.280 -12.735 1.00 0.00 O ATOM 1357 CB ASP A 87 0.065 -15.273 -12.920 1.00 0.00 C ATOM 1358 CG ASP A 87 0.320 -14.051 -13.801 1.00 0.00 C ATOM 1359 OD1 ASP A 87 0.875 -14.257 -14.905 1.00 0.00 O ATOM 1360 OD2 ASP A 87 -0.035 -12.940 -13.357 1.00 0.00 O ATOM 0 H ASP A 87 1.615 -13.962 -10.928 1.00 0.00 H new ATOM 0 HA ASP A 87 1.197 -16.731 -11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.219 -16.116 -13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.779 -15.070 -12.260 1.00 0.00 H new ATOM 1365 N GLY A 88 3.123 -16.398 -13.522 1.00 0.00 N ATOM 1366 CA GLY A 88 4.383 -16.313 -14.257 1.00 0.00 C ATOM 1367 C GLY A 88 5.560 -16.062 -13.308 1.00 0.00 C ATOM 1368 O GLY A 88 6.309 -16.977 -12.977 1.00 0.00 O ATOM 0 H GLY A 88 2.679 -17.314 -13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.548 -17.238 -14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.326 -15.509 -14.991 1.00 0.00 H new ATOM 1372 N GLY A 89 5.695 -14.814 -12.858 1.00 0.00 N ATOM 1373 CA GLY A 89 6.592 -14.402 -11.787 1.00 0.00 C ATOM 1374 C GLY A 89 6.210 -13.031 -11.216 1.00 0.00 C ATOM 1375 O GLY A 89 7.046 -12.363 -10.613 1.00 0.00 O ATOM 0 H GLY A 89 5.161 -14.036 -13.246 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.571 -15.146 -10.990 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.614 -14.366 -12.163 1.00 0.00 H new ATOM 1379 N LYS A 90 4.956 -12.601 -11.404 1.00 0.00 N ATOM 1380 CA LYS A 90 4.458 -11.283 -11.035 1.00 0.00 C ATOM 1381 C LYS A 90 3.286 -11.467 -10.087 1.00 0.00 C ATOM 1382 O LYS A 90 2.432 -12.317 -10.339 1.00 0.00 O ATOM 1383 CB LYS A 90 4.012 -10.527 -12.295 1.00 0.00 C ATOM 1384 CG LYS A 90 5.212 -10.295 -13.220 1.00 0.00 C ATOM 1385 CD LYS A 90 5.176 -11.105 -14.518 1.00 0.00 C ATOM 1386 CE LYS A 90 4.183 -10.487 -15.511 1.00 0.00 C ATOM 1387 NZ LYS A 90 4.223 -11.173 -16.816 1.00 0.00 N ATOM 0 H LYS A 90 4.240 -13.187 -11.833 1.00 0.00 H new ATOM 0 HA LYS A 90 5.241 -10.703 -10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.244 -11.097 -12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.566 -9.572 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.264 -9.235 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.126 -10.540 -12.678 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.171 -11.136 -14.962 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.891 -12.135 -14.303 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.175 -10.543 -15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.414 -9.430 -15.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.540 -10.729 -17.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.179 -11.098 -17.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.979 -12.176 -16.689 1.00 0.00 H new ATOM 1401 N LEU A 91 3.256 -10.705 -8.990 1.00 0.00 N ATOM 1402 CA LEU A 91 2.176 -10.815 -8.027 1.00 0.00 C ATOM 1403 C LEU A 91 1.007 -9.930 -8.444 1.00 0.00 C ATOM 1404 O LEU A 91 1.166 -8.721 -8.622 1.00 0.00 O ATOM 1405 CB LEU A 91 2.659 -10.610 -6.592 1.00 0.00 C ATOM 1406 CG LEU A 91 3.245 -9.221 -6.316 1.00 0.00 C ATOM 1407 CD1 LEU A 91 2.337 -8.468 -5.348 1.00 0.00 C ATOM 1408 CD2 LEU A 91 4.632 -9.361 -5.691 1.00 0.00 C ATOM 0 H LEU A 91 3.966 -10.012 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 91 1.797 -11.837 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.824 -10.781 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.415 -11.362 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 91 3.321 -8.672 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.754 -7.480 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.345 -8.363 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.263 -9.023 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.045 -8.371 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.555 -9.913 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.287 -9.899 -6.376 1.00 0.00 H new ATOM 1420 N VAL A 92 -0.157 -10.556 -8.614 1.00 0.00 N ATOM 1421 CA VAL A 92 -1.416 -9.912 -8.915 1.00 0.00 C ATOM 1422 C VAL A 92 -2.104 -9.655 -7.573 1.00 0.00 C ATOM 1423 O VAL A 92 -2.518 -10.588 -6.887 1.00 0.00 O ATOM 1424 CB VAL A 92 -2.244 -10.748 -9.924 1.00 0.00 C ATOM 1425 CG1 VAL A 92 -1.352 -11.399 -10.994 1.00 0.00 C ATOM 1426 CG2 VAL A 92 -3.122 -11.858 -9.324 1.00 0.00 C ATOM 0 H VAL A 92 -0.242 -11.570 -8.541 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.284 -8.957 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.914 -10.001 -10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.971 -11.976 -11.682 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.822 -10.623 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.631 -12.060 -10.513 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.653 -12.374 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.494 -12.569 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.843 -11.419 -8.634 1.00 0.00 H new ATOM 1436 N HIS A 93 -2.177 -8.386 -7.168 1.00 0.00 N ATOM 1437 CA HIS A 93 -3.025 -7.930 -6.081 1.00 0.00 C ATOM 1438 C HIS A 93 -4.307 -7.445 -6.744 1.00 0.00 C ATOM 1439 O HIS A 93 -4.390 -6.283 -7.134 1.00 0.00 O ATOM 1440 CB HIS A 93 -2.295 -6.838 -5.283 1.00 0.00 C ATOM 1441 CG HIS A 93 -3.146 -5.972 -4.370 1.00 0.00 C ATOM 1442 ND1 HIS A 93 -2.851 -4.661 -4.033 1.00 0.00 N ATOM 1443 CD2 HIS A 93 -4.314 -6.314 -3.734 1.00 0.00 C ATOM 1444 CE1 HIS A 93 -3.817 -4.215 -3.209 1.00 0.00 C ATOM 1445 NE2 HIS A 93 -4.713 -5.198 -3.015 1.00 0.00 N ATOM 0 H HIS A 93 -1.635 -7.637 -7.599 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.261 -8.709 -5.356 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.526 -7.317 -4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.783 -6.185 -5.990 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.822 -7.266 -3.784 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.865 -3.228 -2.774 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.549 -5.133 -2.434 1.00 0.00 H new ATOM 1454 N VAL A 94 -5.291 -8.334 -6.896 1.00 0.00 N ATOM 1455 CA VAL A 94 -6.605 -7.941 -7.380 1.00 0.00 C ATOM 1456 C VAL A 94 -7.449 -7.570 -6.165 1.00 0.00 C ATOM 1457 O VAL A 94 -7.202 -8.040 -5.053 1.00 0.00 O ATOM 1458 CB VAL A 94 -7.177 -8.973 -8.372 1.00 0.00 C ATOM 1459 CG1 VAL A 94 -7.438 -10.369 -7.803 1.00 0.00 C ATOM 1460 CG2 VAL A 94 -8.456 -8.461 -9.046 1.00 0.00 C ATOM 0 H VAL A 94 -5.198 -9.329 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.578 -7.047 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.375 -9.088 -9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.839 -11.012 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.504 -10.790 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.157 -10.301 -6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.830 -9.216 -9.738 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.212 -8.259 -8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.237 -7.544 -9.593 1.00 0.00 H new ATOM 1470 N GLN A 95 -8.341 -6.599 -6.338 1.00 0.00 N ATOM 1471 CA GLN A 95 -8.902 -5.852 -5.230 1.00 0.00 C ATOM 1472 C GLN A 95 -10.338 -5.472 -5.572 1.00 0.00 C ATOM 1473 O GLN A 95 -10.567 -4.835 -6.598 1.00 0.00 O ATOM 1474 CB GLN A 95 -7.999 -4.638 -4.999 1.00 0.00 C ATOM 1475 CG GLN A 95 -8.426 -3.803 -3.798 1.00 0.00 C ATOM 1476 CD GLN A 95 -7.332 -2.797 -3.481 1.00 0.00 C ATOM 1477 OE1 GLN A 95 -6.501 -3.035 -2.610 1.00 0.00 O ATOM 1478 NE2 GLN A 95 -7.302 -1.703 -4.227 1.00 0.00 N ATOM 0 H GLN A 95 -8.692 -6.312 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.941 -6.432 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.973 -4.977 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -8.005 -4.012 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.362 -3.287 -4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.607 -4.447 -2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.017 -1.551 -4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -6.564 -1.012 -4.090 1.00 0.00 H new ATOM 1487 N LYS A 96 -11.289 -5.903 -4.740 1.00 0.00 N ATOM 1488 CA LYS A 96 -12.715 -5.836 -4.990 1.00 0.00 C ATOM 1489 C LYS A 96 -13.387 -5.159 -3.807 1.00 0.00 C ATOM 1490 O LYS A 96 -13.194 -5.572 -2.668 1.00 0.00 O ATOM 1491 CB LYS A 96 -13.238 -7.271 -5.177 1.00 0.00 C ATOM 1492 CG LYS A 96 -14.705 -7.311 -5.637 1.00 0.00 C ATOM 1493 CD LYS A 96 -15.123 -8.772 -5.850 1.00 0.00 C ATOM 1494 CE LYS A 96 -16.547 -8.917 -6.396 1.00 0.00 C ATOM 1495 NZ LYS A 96 -16.640 -8.552 -7.823 1.00 0.00 N ATOM 0 H LYS A 96 -11.068 -6.325 -3.838 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.934 -5.258 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.617 -7.787 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.141 -7.814 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -15.346 -6.841 -4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.825 -6.747 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.426 -9.246 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.047 -9.307 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.881 -9.946 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.222 -8.286 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.596 -8.762 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.445 -7.537 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.944 -9.100 -8.368 1.00 0.00 H new ATOM 1509 N TRP A 97 -14.188 -4.129 -4.075 1.00 0.00 N ATOM 1510 CA TRP A 97 -14.960 -3.435 -3.049 1.00 0.00 C ATOM 1511 C TRP A 97 -16.397 -3.937 -3.083 1.00 0.00 C ATOM 1512 O TRP A 97 -16.908 -4.406 -2.072 1.00 0.00 O ATOM 1513 CB TRP A 97 -14.850 -1.917 -3.243 1.00 0.00 C ATOM 1514 CG TRP A 97 -14.593 -1.453 -4.636 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -15.524 -1.185 -5.574 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -13.304 -1.231 -5.279 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -14.900 -0.809 -6.744 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -13.535 -0.809 -6.620 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -11.957 -1.353 -4.878 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -12.498 -0.497 -7.503 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -10.909 -0.936 -5.718 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -11.180 -0.496 -7.025 1.00 0.00 C ATOM 0 H TRP A 97 -14.319 -3.752 -5.014 1.00 0.00 H new ATOM 0 HA TRP A 97 -14.561 -3.649 -2.058 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.775 -1.458 -2.893 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -14.049 -1.546 -2.604 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.592 -1.254 -5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.395 -0.560 -7.600 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -11.727 -1.773 -3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -12.708 -0.261 -8.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -9.891 -0.954 -5.357 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -10.374 -0.158 -7.660 1.00 0.00 H new ATOM 1533 N ASN A 98 -17.043 -3.864 -4.249 1.00 0.00 N ATOM 1534 CA ASN A 98 -18.423 -4.299 -4.402 1.00 0.00 C ATOM 1535 C ASN A 98 -18.779 -4.485 -5.882 1.00 0.00 C ATOM 1536 O ASN A 98 -18.687 -5.602 -6.393 1.00 0.00 O ATOM 1537 CB ASN A 98 -19.416 -3.406 -3.631 1.00 0.00 C ATOM 1538 CG ASN A 98 -19.301 -1.911 -3.917 1.00 0.00 C ATOM 1539 OD1 ASN A 98 -18.327 -1.263 -3.553 1.00 0.00 O ATOM 1540 ND2 ASN A 98 -20.285 -1.337 -4.605 1.00 0.00 N ATOM 0 H ASN A 98 -16.623 -3.503 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 98 -18.517 -5.280 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -20.430 -3.728 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -19.272 -3.568 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -20.234 -0.345 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -21.090 -1.889 -4.901 1.00 0.00 H new ATOM 1547 N GLY A 99 -19.179 -3.415 -6.575 1.00 0.00 N ATOM 1548 CA GLY A 99 -19.733 -3.523 -7.911 1.00 0.00 C ATOM 1549 C GLY A 99 -18.689 -3.938 -8.943 1.00 0.00 C ATOM 1550 O GLY A 99 -19.030 -4.529 -9.965 1.00 0.00 O ATOM 0 H GLY A 99 -19.125 -2.460 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -20.545 -4.251 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -20.165 -2.565 -8.201 1.00 0.00 H new ATOM 1554 N GLN A 100 -17.428 -3.573 -8.701 1.00 0.00 N ATOM 1555 CA GLN A 100 -16.317 -3.873 -9.580 1.00 0.00 C ATOM 1556 C GLN A 100 -15.032 -3.959 -8.751 1.00 0.00 C ATOM 1557 O GLN A 100 -15.053 -3.730 -7.537 1.00 0.00 O ATOM 1558 CB GLN A 100 -16.227 -2.871 -10.754 1.00 0.00 C ATOM 1559 CG GLN A 100 -17.097 -1.608 -10.664 1.00 0.00 C ATOM 1560 CD GLN A 100 -16.704 -0.725 -9.489 1.00 0.00 C ATOM 1561 OE1 GLN A 100 -15.572 -0.246 -9.428 1.00 0.00 O ATOM 1562 NE2 GLN A 100 -17.604 -0.515 -8.528 1.00 0.00 N ATOM 0 H GLN A 100 -17.155 -3.050 -7.869 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.475 -4.843 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.187 -2.559 -10.854 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.491 -3.399 -11.670 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.007 -1.040 -11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.144 -1.896 -10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.535 -0.924 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.361 0.055 -7.717 1.00 0.00 H new ATOM 1571 N GLU A 101 -13.932 -4.287 -9.432 1.00 0.00 N ATOM 1572 CA GLU A 101 -12.617 -4.556 -8.878 1.00 0.00 C ATOM 1573 C GLU A 101 -11.546 -3.911 -9.755 1.00 0.00 C ATOM 1574 O GLU A 101 -11.816 -3.529 -10.895 1.00 0.00 O ATOM 1575 CB GLU A 101 -12.381 -6.079 -8.752 1.00 0.00 C ATOM 1576 CG GLU A 101 -13.033 -6.958 -9.835 1.00 0.00 C ATOM 1577 CD GLU A 101 -14.355 -7.552 -9.360 1.00 0.00 C ATOM 1578 OE1 GLU A 101 -15.295 -6.784 -9.062 1.00 0.00 O ATOM 1579 OE2 GLU A 101 -14.443 -8.789 -9.191 1.00 0.00 O ATOM 0 H GLU A 101 -13.944 -4.376 -10.448 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.558 -4.125 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.306 -6.262 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.749 -6.404 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.203 -6.363 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.351 -7.762 -10.110 1.00 0.00 H new ATOM 1586 N THR A 102 -10.338 -3.788 -9.205 1.00 0.00 N ATOM 1587 CA THR A 102 -9.141 -3.329 -9.889 1.00 0.00 C ATOM 1588 C THR A 102 -8.037 -4.368 -9.683 1.00 0.00 C ATOM 1589 O THR A 102 -8.043 -5.084 -8.681 1.00 0.00 O ATOM 1590 CB THR A 102 -8.744 -1.943 -9.356 1.00 0.00 C ATOM 1591 OG1 THR A 102 -7.671 -1.384 -10.079 1.00 0.00 O ATOM 1592 CG2 THR A 102 -8.342 -1.970 -7.883 1.00 0.00 C ATOM 0 H THR A 102 -10.165 -4.017 -8.226 1.00 0.00 H new ATOM 0 HA THR A 102 -9.317 -3.224 -10.960 1.00 0.00 H new ATOM 0 HB THR A 102 -9.639 -1.333 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.542 -1.884 -10.912 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.072 -0.964 -7.561 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.178 -2.330 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.488 -2.635 -7.751 1.00 0.00 H new ATOM 1600 N SER A 103 -7.095 -4.451 -10.626 1.00 0.00 N ATOM 1601 CA SER A 103 -5.905 -5.278 -10.555 1.00 0.00 C ATOM 1602 C SER A 103 -4.674 -4.384 -10.416 1.00 0.00 C ATOM 1603 O SER A 103 -4.451 -3.486 -11.228 1.00 0.00 O ATOM 1604 CB SER A 103 -5.842 -6.181 -11.794 1.00 0.00 C ATOM 1605 OG SER A 103 -6.401 -5.554 -12.922 1.00 0.00 O ATOM 0 H SER A 103 -7.151 -3.918 -11.494 1.00 0.00 H new ATOM 0 HA SER A 103 -5.935 -5.926 -9.679 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.805 -6.444 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.373 -7.112 -11.594 1.00 0.00 H new ATOM 0 HG SER A 103 -6.343 -6.156 -13.693 1.00 0.00 H new ATOM 1611 N LEU A 104 -3.888 -4.641 -9.367 1.00 0.00 N ATOM 1612 CA LEU A 104 -2.585 -4.053 -9.107 1.00 0.00 C ATOM 1613 C LEU A 104 -1.549 -5.144 -9.369 1.00 0.00 C ATOM 1614 O LEU A 104 -1.440 -6.078 -8.575 1.00 0.00 O ATOM 1615 CB LEU A 104 -2.490 -3.574 -7.647 1.00 0.00 C ATOM 1616 CG LEU A 104 -3.461 -2.443 -7.284 1.00 0.00 C ATOM 1617 CD1 LEU A 104 -4.816 -2.949 -6.764 1.00 0.00 C ATOM 1618 CD2 LEU A 104 -2.817 -1.540 -6.222 1.00 0.00 C ATOM 0 H LEU A 104 -4.165 -5.302 -8.641 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.417 -3.187 -9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.676 -4.421 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.471 -3.237 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.659 -1.889 -8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.455 -2.099 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.295 -3.559 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.661 -3.549 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.505 -0.736 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.594 -2.128 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.894 -1.115 -6.617 1.00 0.00 H new ATOM 1630 N VAL A 105 -0.805 -5.056 -10.472 1.00 0.00 N ATOM 1631 CA VAL A 105 0.251 -6.015 -10.796 1.00 0.00 C ATOM 1632 C VAL A 105 1.605 -5.329 -10.637 1.00 0.00 C ATOM 1633 O VAL A 105 1.767 -4.212 -11.128 1.00 0.00 O ATOM 1634 CB VAL A 105 0.069 -6.596 -12.212 1.00 0.00 C ATOM 1635 CG1 VAL A 105 -0.906 -7.777 -12.203 1.00 0.00 C ATOM 1636 CG2 VAL A 105 -0.409 -5.554 -13.226 1.00 0.00 C ATOM 0 H VAL A 105 -0.918 -4.317 -11.166 1.00 0.00 H new ATOM 0 HA VAL A 105 0.196 -6.859 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 105 1.056 -6.937 -12.523 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.015 -8.167 -13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.521 -8.562 -11.552 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.877 -7.444 -11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.519 -6.022 -14.204 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.370 -5.150 -12.907 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.321 -4.747 -13.290 1.00 0.00 H new ATOM 1646 N ARG A 106 2.551 -5.972 -9.933 1.00 0.00 N ATOM 1647 CA ARG A 106 3.898 -5.444 -9.714 1.00 0.00 C ATOM 1648 C ARG A 106 4.968 -6.529 -9.846 1.00 0.00 C ATOM 1649 O ARG A 106 4.777 -7.655 -9.384 1.00 0.00 O ATOM 1650 CB ARG A 106 4.034 -4.727 -8.359 1.00 0.00 C ATOM 1651 CG ARG A 106 3.139 -5.320 -7.265 1.00 0.00 C ATOM 1652 CD ARG A 106 3.573 -4.874 -5.860 1.00 0.00 C ATOM 1653 NE ARG A 106 4.781 -5.596 -5.416 1.00 0.00 N ATOM 1654 CZ ARG A 106 5.132 -5.808 -4.135 1.00 0.00 C ATOM 1655 NH1 ARG A 106 4.439 -5.234 -3.146 1.00 0.00 N ATOM 1656 NH2 ARG A 106 6.166 -6.601 -3.843 1.00 0.00 N ATOM 0 H ARG A 106 2.396 -6.881 -9.498 1.00 0.00 H new ATOM 0 HA ARG A 106 4.060 -4.707 -10.500 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.073 -4.775 -8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.788 -3.673 -8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.106 -5.017 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.167 -6.408 -7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.768 -3.802 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.762 -5.050 -5.154 1.00 0.00 H new ATOM 0 HE ARG A 106 5.400 -5.964 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.643 -4.634 -3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.707 -5.396 -2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.693 -7.049 -4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.429 -6.759 -2.870 1.00 0.00 H new ATOM 1670 N GLU A 107 6.109 -6.144 -10.428 1.00 0.00 N ATOM 1671 CA GLU A 107 7.339 -6.918 -10.560 1.00 0.00 C ATOM 1672 C GLU A 107 8.456 -5.899 -10.797 1.00 0.00 C ATOM 1673 O GLU A 107 8.170 -4.802 -11.284 1.00 0.00 O ATOM 1674 CB GLU A 107 7.209 -7.869 -11.758 1.00 0.00 C ATOM 1675 CG GLU A 107 8.400 -8.828 -11.985 1.00 0.00 C ATOM 1676 CD GLU A 107 8.310 -9.549 -13.334 1.00 0.00 C ATOM 1677 OE1 GLU A 107 7.776 -8.932 -14.275 1.00 0.00 O ATOM 1678 OE2 GLU A 107 8.732 -10.721 -13.400 1.00 0.00 O ATOM 0 H GLU A 107 6.199 -5.218 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 107 7.546 -7.521 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.306 -8.465 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.070 -7.272 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.332 -8.265 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.430 -9.564 -11.182 1.00 0.00 H new ATOM 1685 N MET A 108 9.705 -6.252 -10.469 1.00 0.00 N ATOM 1686 CA MET A 108 10.874 -5.579 -11.015 1.00 0.00 C ATOM 1687 C MET A 108 11.518 -6.505 -12.039 1.00 0.00 C ATOM 1688 O MET A 108 11.957 -7.596 -11.685 1.00 0.00 O ATOM 1689 CB MET A 108 11.885 -5.186 -9.921 1.00 0.00 C ATOM 1690 CG MET A 108 13.092 -4.427 -10.509 1.00 0.00 C ATOM 1691 SD MET A 108 14.750 -4.989 -10.027 1.00 0.00 S ATOM 1692 CE MET A 108 14.783 -6.671 -10.696 1.00 0.00 C ATOM 0 H MET A 108 9.926 -7.008 -9.821 1.00 0.00 H new ATOM 0 HA MET A 108 10.559 -4.648 -11.487 1.00 0.00 H new ATOM 0 HB2 MET A 108 11.391 -4.563 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.233 -6.082 -9.408 1.00 0.00 H new ATOM 0 HG2 MET A 108 13.023 -4.475 -11.596 1.00 0.00 H new ATOM 0 HG3 MET A 108 12.998 -3.378 -10.230 1.00 0.00 H new ATOM 0 HE1 MET A 108 15.788 -7.082 -10.598 1.00 0.00 H new ATOM 0 HE2 MET A 108 14.080 -7.296 -10.144 1.00 0.00 H new ATOM 0 HE3 MET A 108 14.501 -6.650 -11.749 1.00 0.00 H new ATOM 1702 N VAL A 109 11.652 -6.019 -13.270 1.00 0.00 N ATOM 1703 CA VAL A 109 12.646 -6.489 -14.220 1.00 0.00 C ATOM 1704 C VAL A 109 13.525 -5.275 -14.508 1.00 0.00 C ATOM 1705 O VAL A 109 13.151 -4.157 -14.148 1.00 0.00 O ATOM 1706 CB VAL A 109 11.986 -7.095 -15.469 1.00 0.00 C ATOM 1707 CG1 VAL A 109 11.413 -8.472 -15.118 1.00 0.00 C ATOM 1708 CG2 VAL A 109 10.867 -6.221 -16.042 1.00 0.00 C ATOM 0 H VAL A 109 11.060 -5.274 -13.638 1.00 0.00 H new ATOM 0 HA VAL A 109 13.252 -7.306 -13.828 1.00 0.00 H new ATOM 0 HB VAL A 109 12.759 -7.171 -16.233 1.00 0.00 H new ATOM 0 HG11 VAL A 109 10.944 -8.906 -16.001 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.217 -9.124 -14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 109 10.671 -8.366 -14.327 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.442 -6.704 -16.922 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.089 -6.087 -15.290 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.272 -5.249 -16.322 1.00 0.00 H new ATOM 1718 N ASP A 110 14.718 -5.491 -15.067 1.00 0.00 N ATOM 1719 CA ASP A 110 15.741 -4.456 -15.109 1.00 0.00 C ATOM 1720 C ASP A 110 15.960 -3.946 -13.669 1.00 0.00 C ATOM 1721 O ASP A 110 16.097 -4.758 -12.751 1.00 0.00 O ATOM 1722 CB ASP A 110 15.346 -3.404 -16.164 1.00 0.00 C ATOM 1723 CG ASP A 110 16.379 -2.304 -16.332 1.00 0.00 C ATOM 1724 OD1 ASP A 110 17.385 -2.554 -17.025 1.00 0.00 O ATOM 1725 OD2 ASP A 110 16.142 -1.244 -15.709 1.00 0.00 O ATOM 0 H ASP A 110 14.995 -6.374 -15.495 1.00 0.00 H new ATOM 0 HA ASP A 110 16.715 -4.816 -15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.195 -3.900 -17.123 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.392 -2.957 -15.882 1.00 0.00 H new ATOM 1730 N GLY A 111 15.934 -2.637 -13.428 1.00 0.00 N ATOM 1731 CA GLY A 111 16.132 -2.012 -12.128 1.00 0.00 C ATOM 1732 C GLY A 111 14.862 -1.315 -11.637 1.00 0.00 C ATOM 1733 O GLY A 111 14.865 -0.746 -10.548 1.00 0.00 O ATOM 0 H GLY A 111 15.767 -1.955 -14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 111 16.436 -2.767 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 111 16.943 -1.287 -12.192 1.00 0.00 H new ATOM 1737 N LYS A 112 13.784 -1.373 -12.424 1.00 0.00 N ATOM 1738 CA LYS A 112 12.583 -0.585 -12.214 1.00 0.00 C ATOM 1739 C LYS A 112 11.446 -1.514 -11.801 1.00 0.00 C ATOM 1740 O LYS A 112 11.301 -2.589 -12.379 1.00 0.00 O ATOM 1741 CB LYS A 112 12.236 0.182 -13.497 1.00 0.00 C ATOM 1742 CG LYS A 112 13.359 1.159 -13.883 1.00 0.00 C ATOM 1743 CD LYS A 112 12.948 1.944 -15.134 1.00 0.00 C ATOM 1744 CE LYS A 112 14.063 2.869 -15.648 1.00 0.00 C ATOM 1745 NZ LYS A 112 14.389 3.961 -14.708 1.00 0.00 N ATOM 0 H LYS A 112 13.728 -1.984 -13.239 1.00 0.00 H new ATOM 0 HA LYS A 112 12.744 0.144 -11.420 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.068 -0.523 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.305 0.732 -13.355 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.557 1.845 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.283 0.612 -14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.670 1.244 -15.922 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.063 2.539 -14.910 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.960 2.278 -15.834 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.760 3.298 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.085 4.599 -15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.525 4.494 -14.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.787 3.560 -13.835 1.00 0.00 H new ATOM 1759 N LEU A 113 10.657 -1.120 -10.798 1.00 0.00 N ATOM 1760 CA LEU A 113 9.490 -1.879 -10.371 1.00 0.00 C ATOM 1761 C LEU A 113 8.299 -1.322 -11.134 1.00 0.00 C ATOM 1762 O LEU A 113 7.916 -0.172 -10.928 1.00 0.00 O ATOM 1763 CB LEU A 113 9.345 -1.847 -8.845 1.00 0.00 C ATOM 1764 CG LEU A 113 8.177 -2.654 -8.248 1.00 0.00 C ATOM 1765 CD1 LEU A 113 8.502 -2.918 -6.772 1.00 0.00 C ATOM 1766 CD2 LEU A 113 6.826 -1.926 -8.311 1.00 0.00 C ATOM 0 H LEU A 113 10.813 -0.266 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 113 9.579 -2.940 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.273 -2.215 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.235 -0.808 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 113 8.077 -3.566 -8.837 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.692 -3.489 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.431 -3.484 -6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.614 -1.968 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.052 -2.556 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.891 -0.991 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.575 -1.714 -9.350 1.00 0.00 H new ATOM 1778 N ILE A 114 7.736 -2.124 -12.036 1.00 0.00 N ATOM 1779 CA ILE A 114 6.625 -1.716 -12.873 1.00 0.00 C ATOM 1780 C ILE A 114 5.351 -2.078 -12.120 1.00 0.00 C ATOM 1781 O ILE A 114 4.931 -3.231 -12.172 1.00 0.00 O ATOM 1782 CB ILE A 114 6.707 -2.397 -14.256 1.00 0.00 C ATOM 1783 CG1 ILE A 114 8.070 -2.156 -14.935 1.00 0.00 C ATOM 1784 CG2 ILE A 114 5.590 -1.846 -15.162 1.00 0.00 C ATOM 1785 CD1 ILE A 114 9.028 -3.337 -14.754 1.00 0.00 C ATOM 0 H ILE A 114 8.045 -3.082 -12.203 1.00 0.00 H new ATOM 0 HA ILE A 114 6.644 -0.644 -13.069 1.00 0.00 H new ATOM 0 HB ILE A 114 6.588 -3.470 -14.107 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.916 -1.976 -15.999 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.525 -1.256 -14.522 1.00 0.00 H new ATOM 0 HG21 ILE A 114 5.645 -2.325 -16.140 1.00 0.00 H new ATOM 0 HG22 ILE A 114 4.620 -2.053 -14.710 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.714 -0.769 -15.278 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.973 -3.118 -15.250 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.206 -3.502 -13.691 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.588 -4.233 -15.191 1.00 0.00 H new ATOM 1797 N LEU A 115 4.748 -1.118 -11.408 1.00 0.00 N ATOM 1798 CA LEU A 115 3.393 -1.287 -10.899 1.00 0.00 C ATOM 1799 C LEU A 115 2.438 -0.820 -11.998 1.00 0.00 C ATOM 1800 O LEU A 115 2.618 0.276 -12.536 1.00 0.00 O ATOM 1801 CB LEU A 115 3.193 -0.503 -9.589 1.00 0.00 C ATOM 1802 CG LEU A 115 1.777 -0.636 -8.991 1.00 0.00 C ATOM 1803 CD1 LEU A 115 1.507 -2.014 -8.386 1.00 0.00 C ATOM 1804 CD2 LEU A 115 1.559 0.398 -7.881 1.00 0.00 C ATOM 0 H LEU A 115 5.179 -0.223 -11.175 1.00 0.00 H new ATOM 0 HA LEU A 115 3.196 -2.331 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.921 -0.849 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.402 0.551 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 115 1.094 -0.476 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.495 -2.042 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.612 -2.777 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.222 -2.207 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.554 0.287 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 115 2.292 0.242 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.676 1.401 -8.290 1.00 0.00 H new ATOM 1816 N THR A 116 1.419 -1.620 -12.320 1.00 0.00 N ATOM 1817 CA THR A 116 0.330 -1.197 -13.189 1.00 0.00 C ATOM 1818 C THR A 116 -1.001 -1.443 -12.481 1.00 0.00 C ATOM 1819 O THR A 116 -1.195 -2.481 -11.845 1.00 0.00 O ATOM 1820 CB THR A 116 0.424 -1.874 -14.565 1.00 0.00 C ATOM 1821 OG1 THR A 116 1.723 -1.674 -15.086 1.00 0.00 O ATOM 1822 CG2 THR A 116 -0.562 -1.273 -15.565 1.00 0.00 C ATOM 0 H THR A 116 1.330 -2.579 -11.983 1.00 0.00 H new ATOM 0 HA THR A 116 0.405 -0.128 -13.386 1.00 0.00 H new ATOM 0 HB THR A 116 0.194 -2.931 -14.427 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.793 -2.104 -15.964 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.462 -1.781 -16.524 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.579 -1.397 -15.193 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.350 -0.212 -15.692 1.00 0.00 H new ATOM 1830 N LEU A 117 -1.870 -0.433 -12.576 1.00 0.00 N ATOM 1831 CA LEU A 117 -3.203 -0.317 -12.008 1.00 0.00 C ATOM 1832 C LEU A 117 -4.188 -0.434 -13.171 1.00 0.00 C ATOM 1833 O LEU A 117 -4.188 0.439 -14.039 1.00 0.00 O ATOM 1834 CB LEU A 117 -3.324 1.082 -11.361 1.00 0.00 C ATOM 1835 CG LEU A 117 -2.980 1.183 -9.868 1.00 0.00 C ATOM 1836 CD1 LEU A 117 -4.154 0.694 -9.022 1.00 0.00 C ATOM 1837 CD2 LEU A 117 -1.697 0.435 -9.515 1.00 0.00 C ATOM 0 H LEU A 117 -1.627 0.403 -13.107 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.402 -1.083 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.675 1.767 -11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.346 1.434 -11.499 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.797 2.234 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.898 0.771 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -5.031 1.307 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -4.372 -0.345 -9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.498 0.537 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -1.811 -0.620 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.865 0.853 -10.081 1.00 0.00 H new ATOM 1849 N THR A 118 -5.012 -1.482 -13.213 1.00 0.00 N ATOM 1850 CA THR A 118 -6.051 -1.626 -14.227 1.00 0.00 C ATOM 1851 C THR A 118 -7.405 -1.722 -13.531 1.00 0.00 C ATOM 1852 O THR A 118 -7.547 -2.497 -12.589 1.00 0.00 O ATOM 1853 CB THR A 118 -5.745 -2.858 -15.086 1.00 0.00 C ATOM 1854 OG1 THR A 118 -4.409 -2.804 -15.536 1.00 0.00 O ATOM 1855 CG2 THR A 118 -6.658 -2.950 -16.306 1.00 0.00 C ATOM 0 H THR A 118 -4.976 -2.252 -12.545 1.00 0.00 H new ATOM 0 HA THR A 118 -6.078 -0.762 -14.891 1.00 0.00 H new ATOM 0 HB THR A 118 -5.912 -3.735 -14.460 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.216 -3.594 -16.083 1.00 0.00 H new ATOM 0 HG21 THR A 118 -6.404 -3.838 -16.884 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.696 -3.014 -15.980 1.00 0.00 H new ATOM 0 HG23 THR A 118 -6.527 -2.063 -16.926 1.00 0.00 H new ATOM 1863 N HIS A 119 -8.394 -0.932 -13.961 1.00 0.00 N ATOM 1864 CA HIS A 119 -9.765 -0.993 -13.465 1.00 0.00 C ATOM 1865 C HIS A 119 -10.689 -1.210 -14.663 1.00 0.00 C ATOM 1866 O HIS A 119 -10.314 -0.915 -15.792 1.00 0.00 O ATOM 1867 CB HIS A 119 -10.068 0.310 -12.702 1.00 0.00 C ATOM 1868 CG HIS A 119 -11.497 0.463 -12.221 1.00 0.00 C ATOM 1869 ND1 HIS A 119 -12.366 1.479 -12.574 1.00 0.00 N ATOM 1870 CD2 HIS A 119 -12.136 -0.324 -11.302 1.00 0.00 C ATOM 1871 CE1 HIS A 119 -13.520 1.295 -11.906 1.00 0.00 C ATOM 1872 NE2 HIS A 119 -13.400 0.206 -11.122 1.00 0.00 N ATOM 0 H HIS A 119 -8.257 -0.219 -14.678 1.00 0.00 H new ATOM 0 HA HIS A 119 -9.918 -1.818 -12.770 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.404 0.369 -11.840 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.827 1.154 -13.348 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -12.167 2.237 -13.227 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.729 -1.195 -10.810 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.398 1.918 -11.986 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.119 -0.164 -10.501 1.00 0.00 H new ATOM 1881 N GLY A 120 -11.907 -1.713 -14.424 1.00 0.00 N ATOM 1882 CA GLY A 120 -12.912 -1.940 -15.468 1.00 0.00 C ATOM 1883 C GLY A 120 -13.078 -0.725 -16.390 1.00 0.00 C ATOM 1884 O GLY A 120 -13.291 -0.871 -17.591 1.00 0.00 O ATOM 0 H GLY A 120 -12.225 -1.976 -13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -12.626 -2.808 -16.062 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -13.870 -2.174 -15.003 1.00 0.00 H new ATOM 1888 N THR A 121 -12.954 0.475 -15.817 1.00 0.00 N ATOM 1889 CA THR A 121 -12.802 1.726 -16.541 1.00 0.00 C ATOM 1890 C THR A 121 -11.523 2.381 -16.026 1.00 0.00 C ATOM 1891 O THR A 121 -11.422 2.587 -14.816 1.00 0.00 O ATOM 1892 CB THR A 121 -14.034 2.608 -16.285 1.00 0.00 C ATOM 1893 OG1 THR A 121 -15.205 1.846 -16.468 1.00 0.00 O ATOM 1894 CG2 THR A 121 -14.079 3.798 -17.242 1.00 0.00 C ATOM 0 H THR A 121 -12.958 0.599 -14.805 1.00 0.00 H new ATOM 0 HA THR A 121 -12.728 1.573 -17.618 1.00 0.00 H new ATOM 0 HB THR A 121 -13.969 2.980 -15.263 1.00 0.00 H new ATOM 0 HG1 THR A 121 -15.990 2.408 -16.303 1.00 0.00 H new ATOM 0 HG21 THR A 121 -14.963 4.400 -17.033 1.00 0.00 H new ATOM 0 HG22 THR A 121 -13.185 4.407 -17.108 1.00 0.00 H new ATOM 0 HG23 THR A 121 -14.121 3.437 -18.270 1.00 0.00 H new ATOM 1902 N ALA A 122 -10.582 2.689 -16.924 1.00 0.00 N ATOM 1903 CA ALA A 122 -9.308 3.361 -16.670 1.00 0.00 C ATOM 1904 C ALA A 122 -8.173 2.366 -16.403 1.00 0.00 C ATOM 1905 O ALA A 122 -8.363 1.336 -15.753 1.00 0.00 O ATOM 1906 CB ALA A 122 -9.401 4.411 -15.561 1.00 0.00 C ATOM 0 H ALA A 122 -10.700 2.460 -17.911 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.066 3.896 -17.588 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -8.426 4.876 -15.417 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.128 5.173 -15.841 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.715 3.933 -14.633 1.00 0.00 H new ATOM 1912 N VAL A 123 -6.978 2.695 -16.901 1.00 0.00 N ATOM 1913 CA VAL A 123 -5.761 1.908 -16.760 1.00 0.00 C ATOM 1914 C VAL A 123 -4.602 2.890 -16.590 1.00 0.00 C ATOM 1915 O VAL A 123 -4.611 3.939 -17.222 1.00 0.00 O ATOM 1916 CB VAL A 123 -5.590 0.963 -17.966 1.00 0.00 C ATOM 1917 CG1 VAL A 123 -5.649 1.686 -19.319 1.00 0.00 C ATOM 1918 CG2 VAL A 123 -4.276 0.181 -17.871 1.00 0.00 C ATOM 0 H VAL A 123 -6.832 3.552 -17.434 1.00 0.00 H new ATOM 0 HA VAL A 123 -5.799 1.259 -15.885 1.00 0.00 H new ATOM 0 HB VAL A 123 -6.436 0.278 -17.922 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -5.522 0.962 -20.124 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -6.614 2.181 -19.425 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.853 2.429 -19.370 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -4.181 -0.478 -18.734 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.438 0.878 -17.853 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -4.272 -0.415 -16.958 1.00 0.00 H new ATOM 1928 N CYS A 124 -3.646 2.597 -15.704 1.00 0.00 N ATOM 1929 CA CYS A 124 -2.639 3.546 -15.249 1.00 0.00 C ATOM 1930 C CYS A 124 -1.354 2.818 -14.868 1.00 0.00 C ATOM 1931 O CYS A 124 -1.383 1.933 -14.019 1.00 0.00 O ATOM 1932 CB CYS A 124 -3.204 4.286 -14.029 1.00 0.00 C ATOM 1933 SG CYS A 124 -1.907 5.142 -13.092 1.00 0.00 S ATOM 0 H CYS A 124 -3.553 1.675 -15.278 1.00 0.00 H new ATOM 0 HA CYS A 124 -2.403 4.250 -16.047 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.951 5.009 -14.357 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -3.713 3.575 -13.378 1.00 0.00 H new ATOM 0 HG CYS A 124 -2.453 5.890 -12.180 1.00 0.00 H new ATOM 1939 N THR A 125 -0.214 3.247 -15.405 1.00 0.00 N ATOM 1940 CA THR A 125 1.086 2.799 -14.935 1.00 0.00 C ATOM 1941 C THR A 125 1.483 3.605 -13.688 1.00 0.00 C ATOM 1942 O THR A 125 0.969 4.711 -13.479 1.00 0.00 O ATOM 1943 CB THR A 125 2.088 2.972 -16.083 1.00 0.00 C ATOM 1944 OG1 THR A 125 2.111 4.334 -16.470 1.00 0.00 O ATOM 1945 CG2 THR A 125 1.703 2.130 -17.302 1.00 0.00 C ATOM 0 H THR A 125 -0.170 3.913 -16.176 1.00 0.00 H new ATOM 0 HA THR A 125 1.067 1.748 -14.645 1.00 0.00 H new ATOM 0 HB THR A 125 3.065 2.643 -15.730 1.00 0.00 H new ATOM 0 HG1 THR A 125 2.564 4.863 -15.780 1.00 0.00 H new ATOM 0 HG21 THR A 125 2.437 2.280 -18.094 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.679 1.076 -17.024 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.718 2.434 -17.658 1.00 0.00 H new ATOM 1953 N ARG A 126 2.343 3.034 -12.843 1.00 0.00 N ATOM 1954 CA ARG A 126 3.075 3.737 -11.800 1.00 0.00 C ATOM 1955 C ARG A 126 4.453 3.070 -11.695 1.00 0.00 C ATOM 1956 O ARG A 126 4.748 2.393 -10.714 1.00 0.00 O ATOM 1957 CB ARG A 126 2.299 3.696 -10.465 1.00 0.00 C ATOM 1958 CG ARG A 126 2.930 4.629 -9.412 1.00 0.00 C ATOM 1959 CD ARG A 126 2.605 4.263 -7.952 1.00 0.00 C ATOM 1960 NE ARG A 126 1.258 4.650 -7.493 1.00 0.00 N ATOM 1961 CZ ARG A 126 0.837 4.510 -6.219 1.00 0.00 C ATOM 1962 NH1 ARG A 126 1.596 3.862 -5.334 1.00 0.00 N ATOM 1963 NH2 ARG A 126 -0.332 5.029 -5.832 1.00 0.00 N ATOM 0 H ARG A 126 2.553 2.036 -12.871 1.00 0.00 H new ATOM 0 HA ARG A 126 3.195 4.793 -12.042 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.263 3.988 -10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.283 2.675 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.012 4.622 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 126 2.593 5.648 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 126 2.717 3.186 -7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.342 4.735 -7.303 1.00 0.00 H new ATOM 0 HE ARG A 126 0.610 5.044 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 126 2.494 3.473 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.278 3.756 -4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.912 5.535 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.644 4.919 -4.867 1.00 0.00 H new ATOM 1977 N THR A 127 5.293 3.219 -12.719 1.00 0.00 N ATOM 1978 CA THR A 127 6.652 2.682 -12.677 1.00 0.00 C ATOM 1979 C THR A 127 7.487 3.363 -11.576 1.00 0.00 C ATOM 1980 O THR A 127 7.371 4.569 -11.342 1.00 0.00 O ATOM 1981 CB THR A 127 7.293 2.703 -14.088 1.00 0.00 C ATOM 1982 OG1 THR A 127 7.493 1.379 -14.527 1.00 0.00 O ATOM 1983 CG2 THR A 127 8.643 3.426 -14.181 1.00 0.00 C ATOM 0 H THR A 127 5.057 3.705 -13.584 1.00 0.00 H new ATOM 0 HA THR A 127 6.619 1.631 -12.390 1.00 0.00 H new ATOM 0 HB THR A 127 6.591 3.259 -14.709 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.897 1.388 -15.420 1.00 0.00 H new ATOM 0 HG21 THR A 127 9.008 3.385 -15.207 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.520 4.467 -13.881 1.00 0.00 H new ATOM 0 HG23 THR A 127 9.362 2.941 -13.521 1.00 0.00 H new ATOM 1991 N TYR A 128 8.326 2.580 -10.890 1.00 0.00 N ATOM 1992 CA TYR A 128 9.201 3.005 -9.804 1.00 0.00 C ATOM 1993 C TYR A 128 10.646 2.591 -10.073 1.00 0.00 C ATOM 1994 O TYR A 128 10.893 1.694 -10.877 1.00 0.00 O ATOM 1995 CB TYR A 128 8.801 2.294 -8.512 1.00 0.00 C ATOM 1996 CG TYR A 128 7.471 2.658 -7.910 1.00 0.00 C ATOM 1997 CD1 TYR A 128 6.338 1.885 -8.216 1.00 0.00 C ATOM 1998 CD2 TYR A 128 7.425 3.565 -6.835 1.00 0.00 C ATOM 1999 CE1 TYR A 128 5.192 1.982 -7.421 1.00 0.00 C ATOM 2000 CE2 TYR A 128 6.251 3.722 -6.094 1.00 0.00 C ATOM 2001 CZ TYR A 128 5.154 2.883 -6.344 1.00 0.00 C ATOM 2002 OH TYR A 128 4.080 2.900 -5.514 1.00 0.00 O ATOM 0 H TYR A 128 8.414 1.584 -11.091 1.00 0.00 H new ATOM 0 HA TYR A 128 9.112 4.088 -9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.803 1.221 -8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 128 9.573 2.487 -7.767 1.00 0.00 H new ATOM 0 HD1 TYR A 128 6.352 1.217 -9.064 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.302 4.143 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.334 1.363 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.188 4.485 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 128 4.380 3.058 -4.594 1.00 0.00 H new ATOM 2012 N GLU A 129 11.580 3.175 -9.315 1.00 0.00 N ATOM 2013 CA GLU A 129 12.986 2.791 -9.270 1.00 0.00 C ATOM 2014 C GLU A 129 13.441 2.667 -7.811 1.00 0.00 C ATOM 2015 O GLU A 129 12.861 3.299 -6.930 1.00 0.00 O ATOM 2016 CB GLU A 129 13.792 3.826 -10.055 1.00 0.00 C ATOM 2017 CG GLU A 129 15.256 3.430 -10.248 1.00 0.00 C ATOM 2018 CD GLU A 129 15.865 4.292 -11.341 1.00 0.00 C ATOM 2019 OE1 GLU A 129 15.697 3.890 -12.513 1.00 0.00 O ATOM 2020 OE2 GLU A 129 16.403 5.364 -11.005 1.00 0.00 O ATOM 0 H GLU A 129 11.365 3.956 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 129 13.145 1.816 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 129 13.330 3.972 -11.031 1.00 0.00 H new ATOM 0 HB3 GLU A 129 13.747 4.783 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 129 15.807 3.560 -9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 129 15.328 2.376 -10.516 1.00 0.00 H new ATOM 2027 N LYS A 130 14.428 1.805 -7.546 1.00 0.00 N ATOM 2028 CA LYS A 130 14.883 1.441 -6.206 1.00 0.00 C ATOM 2029 C LYS A 130 15.938 2.441 -5.723 1.00 0.00 C ATOM 2030 O LYS A 130 16.910 2.663 -6.441 1.00 0.00 O ATOM 2031 CB LYS A 130 15.469 0.018 -6.269 1.00 0.00 C ATOM 2032 CG LYS A 130 15.396 -0.728 -4.931 1.00 0.00 C ATOM 2033 CD LYS A 130 15.904 -2.164 -5.137 1.00 0.00 C ATOM 2034 CE LYS A 130 15.578 -3.095 -3.964 1.00 0.00 C ATOM 2035 NZ LYS A 130 16.337 -2.780 -2.742 1.00 0.00 N ATOM 0 H LYS A 130 14.947 1.328 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 130 14.052 1.465 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 130 14.933 -0.555 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 130 16.509 0.075 -6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 130 16.000 -0.218 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 130 14.371 -0.740 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.465 -2.571 -6.048 1.00 0.00 H new ATOM 0 HD3 LYS A 130 16.984 -2.143 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.512 -3.035 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.786 -4.124 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.812 -3.118 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 17.265 -3.248 -2.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.471 -1.751 -2.672 1.00 0.00 H new ATOM 2049 N GLN A 131 15.783 3.020 -4.522 1.00 0.00 N ATOM 2050 CA GLN A 131 16.756 3.983 -3.993 1.00 0.00 C ATOM 2051 C GLN A 131 17.582 3.426 -2.831 1.00 0.00 C ATOM 2052 O GLN A 131 18.588 4.023 -2.459 1.00 0.00 O ATOM 2053 CB GLN A 131 16.078 5.320 -3.655 1.00 0.00 C ATOM 2054 CG GLN A 131 15.520 5.419 -2.226 1.00 0.00 C ATOM 2055 CD GLN A 131 14.133 6.040 -2.231 1.00 0.00 C ATOM 2056 OE1 GLN A 131 13.947 7.233 -1.993 1.00 0.00 O ATOM 2057 NE2 GLN A 131 13.151 5.211 -2.549 1.00 0.00 N ATOM 0 H GLN A 131 14.994 2.837 -3.902 1.00 0.00 H new ATOM 0 HA GLN A 131 17.479 4.175 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 131 16.798 6.124 -3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 131 15.263 5.486 -4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.477 4.426 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 131 16.190 6.019 -1.610 1.00 0.00 H new ATOM 0 HE21 GLN A 131 13.353 4.229 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.192 5.554 -2.605 1.00 0.00 H new ATOM 2066 N ALA A 132 17.148 2.313 -2.227 1.00 0.00 N ATOM 2067 CA ALA A 132 17.814 1.719 -1.073 1.00 0.00 C ATOM 2068 C ALA A 132 17.741 0.199 -1.142 1.00 0.00 C ATOM 2069 O ALA A 132 16.817 -0.361 -1.731 1.00 0.00 O ATOM 2070 CB ALA A 132 17.165 2.229 0.215 1.00 0.00 C ATOM 2071 OXT ALA A 132 18.722 -0.559 -0.536 1.00 0.00 O ATOM 0 H ALA A 132 16.320 1.800 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 132 18.864 2.010 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 132 17.665 1.784 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 132 17.257 3.314 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 132 16.110 1.953 0.225 1.00 0.00 H new