USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 750 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 43 HIS : no HD1:sc= 0 X(o=0.59,f=0.48) USER MOD Set 1.2: A 76 THR OG1 : rot -9:sc= 0.587 USER MOD Set 2.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.062) USER MOD Single : A 21 TYR OH : rot 33:sc= 0.474 USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 0.602 (180deg=0.267) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.808 X(o=-0.81,f=-0.76) USER MOD Single : A 31 SER OG : rot -38:sc= 0.972 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-5.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -163:sc= -0.0198 (180deg=-0.246) USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000161 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 0.271 (180deg=0.206) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 77:sc= 0.777 USER MOD Single : A 52 CYS SG : rot 88:sc= -1.97! USER MOD Single : A 53 GLN : amide:sc= -0.681 K(o=-0.68,f=-1.4!) USER MOD Single : A 59 MET CE :methyl 164:sc= -3.81! (180deg=-4.41!) USER MOD Single : A 60 ASN : amide:sc= -4.3! C(o=-4.3!,f=-8.9!) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN :FLIP amide:sc=-0.00251 F(o=-2!,f=-0.0025) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -5.67! C(o=-9!,f=-5.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -137:sc= -7.3! (180deg=-11.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 94 GLN : amide:sc= -0.0011 X(o=-0.0011,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B2706 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.3!) USER MOD Single : B2716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2717 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 16.028 -0.701 -3.466 1.00 0.96 N ATOM 2 CA GLU A 20 15.806 -0.527 -2.008 1.00 0.70 C ATOM 3 C GLU A 20 14.397 -0.022 -1.719 1.00 0.59 C ATOM 4 O GLU A 20 13.724 -0.524 -0.820 1.00 0.67 O ATOM 5 CB GLU A 20 16.836 0.446 -1.426 1.00 1.25 C ATOM 6 CG GLU A 20 18.250 -0.110 -1.408 1.00 1.46 C ATOM 7 CD GLU A 20 18.354 -1.406 -0.627 1.00 1.47 C ATOM 8 OE1 GLU A 20 18.429 -1.346 0.618 1.00 2.00 O ATOM 9 OE2 GLU A 20 18.355 -2.482 -1.262 1.00 1.24 O ATOM 0 HA GLU A 20 15.924 -1.502 -1.535 1.00 0.70 H new ATOM 0 HB2 GLU A 20 16.823 1.367 -2.008 1.00 1.25 H new ATOM 0 HB3 GLU A 20 16.544 0.707 -0.409 1.00 1.25 H new ATOM 0 HG2 GLU A 20 18.584 -0.279 -2.432 1.00 1.46 H new ATOM 0 HG3 GLU A 20 18.922 0.629 -0.971 1.00 1.46 H new ATOM 16 N TYR A 21 13.954 0.972 -2.483 1.00 0.54 N ATOM 17 CA TYR A 21 12.622 1.540 -2.302 1.00 0.47 C ATOM 18 C TYR A 21 11.897 1.671 -3.636 1.00 0.46 C ATOM 19 O TYR A 21 12.484 2.082 -4.638 1.00 0.54 O ATOM 20 CB TYR A 21 12.709 2.911 -1.624 1.00 0.47 C ATOM 21 CG TYR A 21 12.957 2.840 -0.134 1.00 0.51 C ATOM 22 CD1 TYR A 21 11.904 2.677 0.755 1.00 0.49 C ATOM 23 CD2 TYR A 21 14.243 2.939 0.383 1.00 0.68 C ATOM 24 CE1 TYR A 21 12.121 2.614 2.116 1.00 0.59 C ATOM 25 CE2 TYR A 21 14.470 2.877 1.744 1.00 0.79 C ATOM 26 CZ TYR A 21 13.406 2.714 2.607 1.00 0.72 C ATOM 27 OH TYR A 21 13.627 2.651 3.962 1.00 0.86 O ATOM 0 H TYR A 21 14.497 1.400 -3.233 1.00 0.54 H new ATOM 0 HA TYR A 21 12.056 0.862 -1.664 1.00 0.47 H new ATOM 0 HB2 TYR A 21 13.510 3.486 -2.089 1.00 0.47 H new ATOM 0 HB3 TYR A 21 11.781 3.454 -1.803 1.00 0.47 H new ATOM 0 HD1 TYR A 21 10.896 2.598 0.375 1.00 0.49 H new ATOM 0 HD2 TYR A 21 15.078 3.066 -0.290 1.00 0.68 H new ATOM 0 HE1 TYR A 21 11.289 2.487 2.793 1.00 0.59 H new ATOM 0 HE2 TYR A 21 15.475 2.956 2.131 1.00 0.79 H new ATOM 0 HH TYR A 21 12.967 2.055 4.374 1.00 0.86 H new ATOM 37 N ILE A 22 10.617 1.316 -3.638 1.00 0.45 N ATOM 38 CA ILE A 22 9.796 1.400 -4.841 1.00 0.47 C ATOM 39 C ILE A 22 8.699 2.446 -4.670 1.00 0.46 C ATOM 40 O ILE A 22 8.187 2.645 -3.567 1.00 0.50 O ATOM 41 CB ILE A 22 9.158 0.037 -5.192 1.00 0.55 C ATOM 42 CG1 ILE A 22 8.544 -0.607 -3.944 1.00 0.57 C ATOM 43 CG2 ILE A 22 10.194 -0.887 -5.818 1.00 0.62 C ATOM 44 CD1 ILE A 22 7.714 -1.837 -4.239 1.00 0.68 C ATOM 0 H ILE A 22 10.124 0.966 -2.817 1.00 0.45 H new ATOM 0 HA ILE A 22 10.453 1.693 -5.660 1.00 0.47 H new ATOM 0 HB ILE A 22 8.361 0.204 -5.917 1.00 0.55 H new ATOM 0 HG12 ILE A 22 9.344 -0.876 -3.254 1.00 0.57 H new ATOM 0 HG13 ILE A 22 7.920 0.128 -3.436 1.00 0.57 H new ATOM 0 HG21 ILE A 22 9.730 -1.843 -6.060 1.00 0.62 H new ATOM 0 HG22 ILE A 22 10.584 -0.432 -6.729 1.00 0.62 H new ATOM 0 HG23 ILE A 22 11.011 -1.048 -5.114 1.00 0.62 H new ATOM 0 HD11 ILE A 22 7.313 -2.237 -3.308 1.00 0.68 H new ATOM 0 HD12 ILE A 22 6.892 -1.571 -4.904 1.00 0.68 H new ATOM 0 HD13 ILE A 22 8.338 -2.591 -4.718 1.00 0.68 H new ATOM 56 N LYS A 23 8.344 3.119 -5.763 1.00 0.47 N ATOM 57 CA LYS A 23 7.311 4.148 -5.721 1.00 0.49 C ATOM 58 C LYS A 23 5.932 3.554 -5.993 1.00 0.42 C ATOM 59 O LYS A 23 5.607 3.201 -7.126 1.00 0.51 O ATOM 60 CB LYS A 23 7.608 5.257 -6.737 1.00 0.64 C ATOM 61 CG LYS A 23 6.684 6.461 -6.609 1.00 0.75 C ATOM 62 CD LYS A 23 6.759 7.366 -7.831 1.00 0.95 C ATOM 63 CE LYS A 23 8.125 8.019 -7.971 1.00 1.11 C ATOM 64 NZ LYS A 23 8.209 8.870 -9.190 1.00 1.37 N ATOM 0 H LYS A 23 8.756 2.970 -6.684 1.00 0.47 H new ATOM 0 HA LYS A 23 7.313 4.576 -4.719 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.640 5.586 -6.613 1.00 0.64 H new ATOM 0 HB3 LYS A 23 7.523 4.849 -7.744 1.00 0.64 H new ATOM 0 HG2 LYS A 23 5.658 6.119 -6.473 1.00 0.75 H new ATOM 0 HG3 LYS A 23 6.951 7.030 -5.719 1.00 0.75 H new ATOM 0 HD2 LYS A 23 6.541 6.785 -8.727 1.00 0.95 H new ATOM 0 HD3 LYS A 23 5.993 8.138 -7.758 1.00 0.95 H new ATOM 0 HE2 LYS A 23 8.330 8.626 -7.089 1.00 1.11 H new ATOM 0 HE3 LYS A 23 8.894 7.248 -8.013 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 9.197 8.923 -9.509 1.00 1.37 H new ATOM 0 HZ2 LYS A 23 7.623 8.456 -9.943 1.00 1.37 H new ATOM 0 HZ3 LYS A 23 7.865 9.826 -8.970 1.00 1.37 H new ATOM 78 N LEU A 24 5.132 3.437 -4.941 1.00 0.35 N ATOM 79 CA LEU A 24 3.784 2.899 -5.060 1.00 0.33 C ATOM 80 C LEU A 24 2.756 3.999 -4.824 1.00 0.33 C ATOM 81 O LEU A 24 2.586 4.472 -3.701 1.00 0.34 O ATOM 82 CB LEU A 24 3.576 1.756 -4.065 1.00 0.35 C ATOM 83 CG LEU A 24 4.450 0.523 -4.302 1.00 0.39 C ATOM 84 CD1 LEU A 24 4.320 -0.455 -3.146 1.00 0.49 C ATOM 85 CD2 LEU A 24 4.077 -0.151 -5.614 1.00 0.42 C ATOM 0 H LEU A 24 5.395 3.708 -3.994 1.00 0.35 H new ATOM 0 HA LEU A 24 3.653 2.508 -6.069 1.00 0.33 H new ATOM 0 HB2 LEU A 24 3.768 2.131 -3.060 1.00 0.35 H new ATOM 0 HB3 LEU A 24 2.530 1.452 -4.098 1.00 0.35 H new ATOM 0 HG LEU A 24 5.489 0.846 -4.363 1.00 0.39 H new ATOM 0 HD11 LEU A 24 4.949 -1.325 -3.333 1.00 0.49 H new ATOM 0 HD12 LEU A 24 4.636 0.029 -2.222 1.00 0.49 H new ATOM 0 HD13 LEU A 24 3.281 -0.772 -3.052 1.00 0.49 H new ATOM 0 HD21 LEU A 24 4.709 -1.026 -5.766 1.00 0.42 H new ATOM 0 HD22 LEU A 24 3.032 -0.459 -5.580 1.00 0.42 H new ATOM 0 HD23 LEU A 24 4.222 0.549 -6.437 1.00 0.42 H new ATOM 97 N LYS A 25 2.081 4.411 -5.893 1.00 0.37 N ATOM 98 CA LYS A 25 1.077 5.463 -5.803 1.00 0.41 C ATOM 99 C LYS A 25 -0.253 4.921 -5.294 1.00 0.42 C ATOM 100 O LYS A 25 -1.001 4.285 -6.036 1.00 0.46 O ATOM 101 CB LYS A 25 0.874 6.130 -7.163 1.00 0.48 C ATOM 102 CG LYS A 25 1.940 7.156 -7.505 1.00 0.50 C ATOM 103 CD LYS A 25 1.569 7.938 -8.751 1.00 0.64 C ATOM 104 CE LYS A 25 2.532 9.086 -8.994 1.00 0.67 C ATOM 105 NZ LYS A 25 2.151 9.886 -10.189 1.00 0.85 N ATOM 0 H LYS A 25 2.212 4.032 -6.831 1.00 0.37 H new ATOM 0 HA LYS A 25 1.442 6.203 -5.091 1.00 0.41 H new ATOM 0 HB2 LYS A 25 0.860 5.362 -7.936 1.00 0.48 H new ATOM 0 HB3 LYS A 25 -0.102 6.615 -7.178 1.00 0.48 H new ATOM 0 HG2 LYS A 25 2.071 7.842 -6.668 1.00 0.50 H new ATOM 0 HG3 LYS A 25 2.895 6.654 -7.658 1.00 0.50 H new ATOM 0 HD2 LYS A 25 1.570 7.272 -9.614 1.00 0.64 H new ATOM 0 HD3 LYS A 25 0.556 8.327 -8.650 1.00 0.64 H new ATOM 0 HE2 LYS A 25 2.555 9.732 -8.117 1.00 0.67 H new ATOM 0 HE3 LYS A 25 3.540 8.693 -9.127 1.00 0.67 H new ATOM 0 HZ1 LYS A 25 2.833 10.660 -10.321 1.00 0.85 H new ATOM 0 HZ2 LYS A 25 2.154 9.275 -11.031 1.00 0.85 H new ATOM 0 HZ3 LYS A 25 1.199 10.283 -10.052 1.00 0.85 H new ATOM 119 N VAL A 26 -0.537 5.174 -4.021 1.00 0.42 N ATOM 120 CA VAL A 26 -1.781 4.725 -3.413 1.00 0.45 C ATOM 121 C VAL A 26 -2.841 5.818 -3.523 1.00 0.49 C ATOM 122 O VAL A 26 -2.851 6.776 -2.748 1.00 0.49 O ATOM 123 CB VAL A 26 -1.586 4.332 -1.935 1.00 0.44 C ATOM 124 CG1 VAL A 26 -2.860 3.727 -1.367 1.00 0.48 C ATOM 125 CG2 VAL A 26 -0.423 3.360 -1.788 1.00 0.43 C ATOM 0 H VAL A 26 0.079 5.688 -3.391 1.00 0.42 H new ATOM 0 HA VAL A 26 -2.111 3.838 -3.953 1.00 0.45 H new ATOM 0 HB VAL A 26 -1.354 5.235 -1.370 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.700 3.457 -0.323 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -3.669 4.454 -1.434 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -3.125 2.836 -1.936 1.00 0.48 H new ATOM 0 HG21 VAL A 26 -0.301 3.094 -0.738 1.00 0.43 H new ATOM 0 HG22 VAL A 26 -0.625 2.460 -2.369 1.00 0.43 H new ATOM 0 HG23 VAL A 26 0.491 3.829 -2.152 1.00 0.43 H new ATOM 135 N ILE A 27 -3.721 5.668 -4.505 1.00 0.54 N ATOM 136 CA ILE A 27 -4.775 6.635 -4.755 1.00 0.59 C ATOM 137 C ILE A 27 -6.106 6.161 -4.200 1.00 0.63 C ATOM 138 O ILE A 27 -6.624 5.120 -4.606 1.00 0.67 O ATOM 139 CB ILE A 27 -4.933 6.898 -6.255 1.00 0.65 C ATOM 140 CG1 ILE A 27 -3.701 7.631 -6.783 1.00 0.64 C ATOM 141 CG2 ILE A 27 -6.183 7.715 -6.511 1.00 0.72 C ATOM 142 CD1 ILE A 27 -3.769 7.965 -8.259 1.00 0.72 C ATOM 0 H ILE A 27 -3.722 4.875 -5.147 1.00 0.54 H new ATOM 0 HA ILE A 27 -4.485 7.556 -4.250 1.00 0.59 H new ATOM 0 HB ILE A 27 -5.028 5.946 -6.778 1.00 0.65 H new ATOM 0 HG12 ILE A 27 -3.570 8.554 -6.218 1.00 0.64 H new ATOM 0 HG13 ILE A 27 -2.819 7.017 -6.600 1.00 0.64 H new ATOM 0 HG21 ILE A 27 -6.286 7.897 -7.581 1.00 0.72 H new ATOM 0 HG22 ILE A 27 -7.055 7.169 -6.150 1.00 0.72 H new ATOM 0 HG23 ILE A 27 -6.109 8.668 -5.987 1.00 0.72 H new ATOM 0 HD11 ILE A 27 -2.858 8.484 -8.557 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -3.868 7.046 -8.836 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -4.630 8.606 -8.448 1.00 0.72 H new ATOM 154 N GLY A 28 -6.655 6.938 -3.272 1.00 0.64 N ATOM 155 CA GLY A 28 -7.928 6.593 -2.666 1.00 0.69 C ATOM 156 C GLY A 28 -9.113 6.940 -3.547 1.00 0.77 C ATOM 157 O GLY A 28 -8.952 7.192 -4.741 1.00 0.79 O ATOM 0 H GLY A 28 -6.239 7.804 -2.928 1.00 0.64 H new ATOM 0 HA2 GLY A 28 -7.944 5.525 -2.448 1.00 0.69 H new ATOM 0 HA3 GLY A 28 -8.025 7.114 -1.713 1.00 0.69 H new ATOM 161 N GLN A 29 -10.306 6.962 -2.959 1.00 0.82 N ATOM 162 CA GLN A 29 -11.507 7.273 -3.721 1.00 0.90 C ATOM 163 C GLN A 29 -12.161 8.563 -3.247 1.00 0.92 C ATOM 164 O GLN A 29 -13.377 8.633 -3.083 1.00 0.99 O ATOM 165 CB GLN A 29 -12.501 6.114 -3.628 1.00 0.96 C ATOM 166 CG GLN A 29 -13.282 5.918 -4.908 1.00 1.04 C ATOM 167 CD GLN A 29 -12.369 5.887 -6.120 1.00 1.02 C ATOM 168 OE1 GLN A 29 -11.588 4.951 -6.302 1.00 1.00 O ATOM 169 NE2 GLN A 29 -12.451 6.925 -6.949 1.00 1.05 N ATOM 0 H GLN A 29 -10.464 6.771 -1.970 1.00 0.82 H new ATOM 0 HA GLN A 29 -11.212 7.417 -4.760 1.00 0.90 H new ATOM 0 HB2 GLN A 29 -11.963 5.196 -3.390 1.00 0.96 H new ATOM 0 HB3 GLN A 29 -13.194 6.299 -2.808 1.00 0.96 H new ATOM 0 HG2 GLN A 29 -13.845 4.987 -4.852 1.00 1.04 H new ATOM 0 HG3 GLN A 29 -14.008 6.723 -5.019 1.00 1.04 H new ATOM 0 HE21 GLN A 29 -13.112 7.678 -6.759 1.00 1.05 H new ATOM 0 HE22 GLN A 29 -11.853 6.967 -7.774 1.00 1.05 H new ATOM 178 N ASP A 30 -11.336 9.580 -3.038 1.00 0.88 N ATOM 179 CA ASP A 30 -11.802 10.884 -2.582 1.00 0.92 C ATOM 180 C ASP A 30 -10.702 11.927 -2.754 1.00 0.89 C ATOM 181 O ASP A 30 -10.648 12.925 -2.028 1.00 0.91 O ATOM 182 CB ASP A 30 -12.249 10.803 -1.114 1.00 0.92 C ATOM 183 CG ASP A 30 -11.240 10.089 -0.226 1.00 0.86 C ATOM 184 OD1 ASP A 30 -10.151 9.734 -0.721 1.00 0.81 O ATOM 185 OD2 ASP A 30 -11.541 9.886 0.972 1.00 0.88 O ATOM 0 H ASP A 30 -10.327 9.525 -3.179 1.00 0.88 H new ATOM 0 HA ASP A 30 -12.658 11.185 -3.187 1.00 0.92 H new ATOM 0 HB2 ASP A 30 -12.411 11.811 -0.733 1.00 0.92 H new ATOM 0 HB3 ASP A 30 -13.206 10.283 -1.059 1.00 0.92 H new ATOM 190 N SER A 31 -9.837 11.680 -3.737 1.00 0.87 N ATOM 191 CA SER A 31 -8.713 12.554 -4.068 1.00 0.86 C ATOM 192 C SER A 31 -7.581 12.498 -3.033 1.00 0.80 C ATOM 193 O SER A 31 -6.681 13.345 -3.026 1.00 0.81 O ATOM 194 CB SER A 31 -9.198 13.995 -4.248 1.00 0.93 C ATOM 195 OG SER A 31 -8.136 14.841 -4.656 1.00 0.95 O ATOM 0 H SER A 31 -9.899 10.855 -4.334 1.00 0.87 H new ATOM 0 HA SER A 31 -8.296 12.187 -5.006 1.00 0.86 H new ATOM 0 HB2 SER A 31 -9.996 14.024 -4.990 1.00 0.93 H new ATOM 0 HB3 SER A 31 -9.620 14.360 -3.312 1.00 0.93 H new ATOM 0 HG SER A 31 -7.313 14.579 -4.193 1.00 0.95 H new ATOM 201 N SER A 32 -7.636 11.491 -2.166 1.00 0.75 N ATOM 202 CA SER A 32 -6.620 11.297 -1.141 1.00 0.71 C ATOM 203 C SER A 32 -5.466 10.495 -1.728 1.00 0.65 C ATOM 204 O SER A 32 -5.557 9.275 -1.853 1.00 0.62 O ATOM 205 CB SER A 32 -7.214 10.539 0.047 1.00 0.71 C ATOM 206 OG SER A 32 -6.208 10.182 0.980 1.00 0.69 O ATOM 0 H SER A 32 -8.380 10.793 -2.155 1.00 0.75 H new ATOM 0 HA SER A 32 -6.261 12.268 -0.800 1.00 0.71 H new ATOM 0 HB2 SER A 32 -7.966 11.157 0.537 1.00 0.71 H new ATOM 0 HB3 SER A 32 -7.721 9.641 -0.307 1.00 0.71 H new ATOM 0 HG SER A 32 -6.614 9.700 1.730 1.00 0.69 H new ATOM 212 N GLU A 33 -4.384 11.176 -2.098 1.00 0.64 N ATOM 213 CA GLU A 33 -3.237 10.482 -2.674 1.00 0.59 C ATOM 214 C GLU A 33 -2.072 10.488 -1.697 1.00 0.55 C ATOM 215 O GLU A 33 -1.887 11.447 -0.956 1.00 0.69 O ATOM 216 CB GLU A 33 -2.824 11.124 -4.004 1.00 0.64 C ATOM 217 CG GLU A 33 -1.749 10.347 -4.753 1.00 0.56 C ATOM 218 CD GLU A 33 -1.368 10.992 -6.072 1.00 0.64 C ATOM 219 OE1 GLU A 33 -2.230 11.054 -6.973 1.00 1.12 O ATOM 220 OE2 GLU A 33 -0.205 11.429 -6.206 1.00 0.84 O ATOM 0 H GLU A 33 -4.278 12.187 -2.012 1.00 0.64 H new ATOM 0 HA GLU A 33 -3.524 9.449 -2.870 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -3.704 11.216 -4.641 1.00 0.64 H new ATOM 0 HB3 GLU A 33 -2.462 12.134 -3.812 1.00 0.64 H new ATOM 0 HG2 GLU A 33 -0.862 10.265 -4.125 1.00 0.56 H new ATOM 0 HG3 GLU A 33 -2.103 9.333 -4.939 1.00 0.56 H new ATOM 227 N ILE A 34 -1.310 9.397 -1.673 1.00 0.45 N ATOM 228 CA ILE A 34 -0.154 9.291 -0.788 1.00 0.41 C ATOM 229 C ILE A 34 0.979 8.528 -1.473 1.00 0.37 C ATOM 230 O ILE A 34 0.747 7.472 -2.063 1.00 0.34 O ATOM 231 CB ILE A 34 -0.496 8.583 0.553 1.00 0.42 C ATOM 232 CG1 ILE A 34 -1.671 9.272 1.257 1.00 0.48 C ATOM 233 CG2 ILE A 34 0.723 8.563 1.468 1.00 0.49 C ATOM 234 CD1 ILE A 34 -2.062 8.632 2.572 1.00 0.57 C ATOM 0 H ILE A 34 -1.472 8.575 -2.255 1.00 0.45 H new ATOM 0 HA ILE A 34 0.159 10.311 -0.566 1.00 0.41 H new ATOM 0 HB ILE A 34 -0.787 7.557 0.327 1.00 0.42 H new ATOM 0 HG12 ILE A 34 -1.413 10.316 1.435 1.00 0.48 H new ATOM 0 HG13 ILE A 34 -2.534 9.266 0.591 1.00 0.48 H new ATOM 0 HG21 ILE A 34 0.468 8.064 2.403 1.00 0.49 H new ATOM 0 HG22 ILE A 34 1.536 8.025 0.980 1.00 0.49 H new ATOM 0 HG23 ILE A 34 1.038 9.585 1.677 1.00 0.49 H new ATOM 0 HD11 ILE A 34 -2.900 9.177 3.007 1.00 0.57 H new ATOM 0 HD12 ILE A 34 -2.353 7.596 2.400 1.00 0.57 H new ATOM 0 HD13 ILE A 34 -1.215 8.662 3.257 1.00 0.57 H new ATOM 246 N HIS A 35 2.208 9.054 -1.399 1.00 0.41 N ATOM 247 CA HIS A 35 3.346 8.368 -2.005 1.00 0.40 C ATOM 248 C HIS A 35 3.948 7.387 -1.009 1.00 0.40 C ATOM 249 O HIS A 35 4.386 7.773 0.076 1.00 0.58 O ATOM 250 CB HIS A 35 4.414 9.359 -2.472 1.00 0.54 C ATOM 251 CG HIS A 35 4.178 9.902 -3.850 1.00 0.61 C ATOM 252 ND1 HIS A 35 4.866 10.970 -4.383 1.00 0.82 N ATOM 253 CD2 HIS A 35 3.308 9.501 -4.813 1.00 0.77 C ATOM 254 CE1 HIS A 35 4.403 11.181 -5.622 1.00 0.90 C ATOM 255 NE2 HIS A 35 3.457 10.315 -5.931 1.00 0.91 N ATOM 0 H HIS A 35 2.433 9.934 -0.935 1.00 0.41 H new ATOM 0 HA HIS A 35 2.986 7.826 -2.880 1.00 0.40 H new ATOM 0 HB2 HIS A 35 4.458 10.190 -1.767 1.00 0.54 H new ATOM 0 HB3 HIS A 35 5.387 8.868 -2.447 1.00 0.54 H new ATOM 0 HD1 HIS A 35 5.598 11.505 -3.917 1.00 0.82 H new ATOM 0 HD2 HIS A 35 2.611 8.681 -4.725 1.00 0.77 H new ATOM 0 HE1 HIS A 35 4.758 11.959 -6.282 1.00 0.90 H new ATOM 263 N PHE A 36 3.956 6.116 -1.390 1.00 0.39 N ATOM 264 CA PHE A 36 4.468 5.057 -0.529 1.00 0.48 C ATOM 265 C PHE A 36 5.839 4.563 -0.971 1.00 0.45 C ATOM 266 O PHE A 36 6.068 4.293 -2.149 1.00 0.54 O ATOM 267 CB PHE A 36 3.492 3.880 -0.519 1.00 0.65 C ATOM 268 CG PHE A 36 2.504 3.910 0.610 1.00 0.66 C ATOM 269 CD1 PHE A 36 1.666 4.998 0.791 1.00 0.73 C ATOM 270 CD2 PHE A 36 2.413 2.845 1.491 1.00 1.39 C ATOM 271 CE1 PHE A 36 0.757 5.023 1.831 1.00 0.80 C ATOM 272 CE2 PHE A 36 1.507 2.865 2.532 1.00 1.54 C ATOM 273 CZ PHE A 36 0.678 3.955 2.702 1.00 0.99 C ATOM 0 H PHE A 36 3.612 5.792 -2.294 1.00 0.39 H new ATOM 0 HA PHE A 36 4.570 5.478 0.471 1.00 0.48 H new ATOM 0 HB2 PHE A 36 2.948 3.866 -1.463 1.00 0.65 H new ATOM 0 HB3 PHE A 36 4.060 2.952 -0.465 1.00 0.65 H new ATOM 0 HD1 PHE A 36 1.724 5.836 0.112 1.00 0.73 H new ATOM 0 HD2 PHE A 36 3.059 1.989 1.362 1.00 1.39 H new ATOM 0 HE1 PHE A 36 0.109 5.877 1.962 1.00 0.80 H new ATOM 0 HE2 PHE A 36 1.447 2.029 3.213 1.00 1.54 H new ATOM 0 HZ PHE A 36 -0.032 3.972 3.516 1.00 0.99 H new ATOM 283 N LYS A 37 6.745 4.454 -0.005 1.00 0.43 N ATOM 284 CA LYS A 37 8.088 3.946 -0.251 1.00 0.42 C ATOM 285 C LYS A 37 8.348 2.788 0.703 1.00 0.39 C ATOM 286 O LYS A 37 8.532 2.988 1.903 1.00 0.38 O ATOM 287 CB LYS A 37 9.135 5.049 -0.053 1.00 0.47 C ATOM 288 CG LYS A 37 8.977 6.218 -1.009 1.00 0.56 C ATOM 289 CD LYS A 37 9.986 7.314 -0.719 1.00 0.65 C ATOM 290 CE LYS A 37 9.784 8.509 -1.635 1.00 0.80 C ATOM 291 NZ LYS A 37 10.746 9.606 -1.337 1.00 0.94 N ATOM 0 H LYS A 37 6.570 4.714 0.966 1.00 0.43 H new ATOM 0 HA LYS A 37 8.164 3.603 -1.283 1.00 0.42 H new ATOM 0 HB2 LYS A 37 9.073 5.417 0.971 1.00 0.47 H new ATOM 0 HB3 LYS A 37 10.129 4.621 -0.178 1.00 0.47 H new ATOM 0 HG2 LYS A 37 9.101 5.870 -2.035 1.00 0.56 H new ATOM 0 HG3 LYS A 37 7.967 6.621 -0.929 1.00 0.56 H new ATOM 0 HD2 LYS A 37 9.894 7.630 0.320 1.00 0.65 H new ATOM 0 HD3 LYS A 37 10.996 6.924 -0.845 1.00 0.65 H new ATOM 0 HE2 LYS A 37 9.901 8.195 -2.672 1.00 0.80 H new ATOM 0 HE3 LYS A 37 8.765 8.881 -1.528 1.00 0.80 H new ATOM 0 HZ1 LYS A 37 10.575 10.403 -1.983 1.00 0.94 H new ATOM 0 HZ2 LYS A 37 10.617 9.923 -0.355 1.00 0.94 H new ATOM 0 HZ3 LYS A 37 11.718 9.259 -1.464 1.00 0.94 H new ATOM 305 N VAL A 38 8.366 1.577 0.164 1.00 0.42 N ATOM 306 CA VAL A 38 8.561 0.383 0.978 1.00 0.44 C ATOM 307 C VAL A 38 9.890 -0.297 0.671 1.00 0.46 C ATOM 308 O VAL A 38 10.293 -0.395 -0.490 1.00 0.52 O ATOM 309 CB VAL A 38 7.404 -0.623 0.756 1.00 0.49 C ATOM 310 CG1 VAL A 38 7.571 -1.868 1.618 1.00 0.60 C ATOM 311 CG2 VAL A 38 6.062 0.038 1.034 1.00 0.53 C ATOM 0 H VAL A 38 8.248 1.394 -0.833 1.00 0.42 H new ATOM 0 HA VAL A 38 8.571 0.702 2.020 1.00 0.44 H new ATOM 0 HB VAL A 38 7.434 -0.935 -0.288 1.00 0.49 H new ATOM 0 HG11 VAL A 38 6.741 -2.551 1.436 1.00 0.60 H new ATOM 0 HG12 VAL A 38 8.509 -2.362 1.366 1.00 0.60 H new ATOM 0 HG13 VAL A 38 7.582 -1.583 2.670 1.00 0.60 H new ATOM 0 HG21 VAL A 38 5.261 -0.683 0.873 1.00 0.53 H new ATOM 0 HG22 VAL A 38 6.035 0.386 2.067 1.00 0.53 H new ATOM 0 HG23 VAL A 38 5.928 0.885 0.362 1.00 0.53 H new ATOM 321 N LYS A 39 10.576 -0.747 1.725 1.00 0.47 N ATOM 322 CA LYS A 39 11.849 -1.442 1.571 1.00 0.53 C ATOM 323 C LYS A 39 11.646 -2.773 0.849 1.00 0.57 C ATOM 324 O LYS A 39 10.562 -3.357 0.896 1.00 0.65 O ATOM 325 CB LYS A 39 12.492 -1.678 2.940 1.00 0.61 C ATOM 326 CG LYS A 39 13.817 -0.956 3.126 1.00 0.53 C ATOM 327 CD LYS A 39 14.374 -1.175 4.522 1.00 1.09 C ATOM 328 CE LYS A 39 15.687 -0.436 4.727 1.00 1.08 C ATOM 329 NZ LYS A 39 16.212 -0.615 6.109 1.00 1.98 N ATOM 0 H LYS A 39 10.268 -0.641 2.692 1.00 0.47 H new ATOM 0 HA LYS A 39 12.514 -0.819 0.973 1.00 0.53 H new ATOM 0 HB2 LYS A 39 11.800 -1.354 3.717 1.00 0.61 H new ATOM 0 HB3 LYS A 39 12.649 -2.748 3.078 1.00 0.61 H new ATOM 0 HG2 LYS A 39 14.534 -1.311 2.386 1.00 0.53 H new ATOM 0 HG3 LYS A 39 13.680 0.111 2.950 1.00 0.53 H new ATOM 0 HD2 LYS A 39 13.647 -0.837 5.261 1.00 1.09 H new ATOM 0 HD3 LYS A 39 14.527 -2.241 4.690 1.00 1.09 H new ATOM 0 HE2 LYS A 39 16.423 -0.797 4.009 1.00 1.08 H new ATOM 0 HE3 LYS A 39 15.541 0.626 4.528 1.00 1.08 H new ATOM 0 HZ1 LYS A 39 17.108 -0.097 6.210 1.00 1.98 H new ATOM 0 HZ2 LYS A 39 15.520 -0.248 6.793 1.00 1.98 H new ATOM 0 HZ3 LYS A 39 16.375 -1.626 6.290 1.00 1.98 H new ATOM 343 N MET A 40 12.697 -3.252 0.188 1.00 0.63 N ATOM 344 CA MET A 40 12.636 -4.509 -0.556 1.00 0.72 C ATOM 345 C MET A 40 12.750 -5.721 0.373 1.00 0.75 C ATOM 346 O MET A 40 12.776 -6.864 -0.084 1.00 0.85 O ATOM 347 CB MET A 40 13.747 -4.549 -1.606 1.00 0.85 C ATOM 348 CG MET A 40 13.587 -3.504 -2.700 1.00 0.94 C ATOM 349 SD MET A 40 12.538 -4.063 -4.055 1.00 1.31 S ATOM 350 CE MET A 40 13.631 -5.227 -4.871 1.00 1.48 C ATOM 0 H MET A 40 13.604 -2.787 0.152 1.00 0.63 H new ATOM 0 HA MET A 40 11.666 -4.558 -1.050 1.00 0.72 H new ATOM 0 HB2 MET A 40 14.708 -4.402 -1.112 1.00 0.85 H new ATOM 0 HB3 MET A 40 13.770 -5.539 -2.061 1.00 0.85 H new ATOM 0 HG2 MET A 40 13.163 -2.597 -2.270 1.00 0.94 H new ATOM 0 HG3 MET A 40 14.570 -3.242 -3.092 1.00 0.94 H new ATOM 0 HE1 MET A 40 13.262 -5.430 -5.876 1.00 1.48 H new ATOM 0 HE2 MET A 40 14.634 -4.804 -4.931 1.00 1.48 H new ATOM 0 HE3 MET A 40 13.663 -6.156 -4.302 1.00 1.48 H new ATOM 360 N THR A 41 12.815 -5.461 1.675 1.00 0.74 N ATOM 361 CA THR A 41 12.924 -6.523 2.671 1.00 0.82 C ATOM 362 C THR A 41 11.638 -6.658 3.486 1.00 0.78 C ATOM 363 O THR A 41 11.605 -7.364 4.494 1.00 0.96 O ATOM 364 CB THR A 41 14.103 -6.268 3.630 1.00 0.94 C ATOM 365 OG1 THR A 41 14.153 -4.880 3.989 1.00 1.32 O ATOM 366 CG2 THR A 41 15.421 -6.684 2.995 1.00 1.14 C ATOM 0 H THR A 41 12.794 -4.520 2.067 1.00 0.74 H new ATOM 0 HA THR A 41 13.098 -7.450 2.125 1.00 0.82 H new ATOM 0 HB THR A 41 13.948 -6.868 4.527 1.00 0.94 H new ATOM 0 HG1 THR A 41 14.904 -4.727 4.600 1.00 1.32 H new ATOM 0 HG21 THR A 41 16.237 -6.494 3.692 1.00 1.14 H new ATOM 0 HG22 THR A 41 15.390 -7.747 2.755 1.00 1.14 H new ATOM 0 HG23 THR A 41 15.582 -6.110 2.082 1.00 1.14 H new ATOM 374 N THR A 42 10.582 -5.979 3.044 1.00 0.71 N ATOM 375 CA THR A 42 9.299 -6.025 3.737 1.00 0.73 C ATOM 376 C THR A 42 8.180 -6.463 2.796 1.00 0.66 C ATOM 377 O THR A 42 8.240 -6.223 1.590 1.00 0.63 O ATOM 378 CB THR A 42 8.936 -4.656 4.347 1.00 0.84 C ATOM 379 OG1 THR A 42 10.037 -3.747 4.216 1.00 0.81 O ATOM 380 CG2 THR A 42 8.569 -4.801 5.815 1.00 1.32 C ATOM 0 H THR A 42 10.590 -5.392 2.210 1.00 0.71 H new ATOM 0 HA THR A 42 9.402 -6.755 4.540 1.00 0.73 H new ATOM 0 HB THR A 42 8.076 -4.262 3.806 1.00 0.84 H new ATOM 0 HG1 THR A 42 9.794 -2.881 4.605 1.00 0.81 H new ATOM 0 HG21 THR A 42 8.316 -3.823 6.225 1.00 1.32 H new ATOM 0 HG22 THR A 42 7.712 -5.467 5.912 1.00 1.32 H new ATOM 0 HG23 THR A 42 9.415 -5.217 6.362 1.00 1.32 H new ATOM 388 N HIS A 43 7.161 -7.111 3.359 1.00 0.70 N ATOM 389 CA HIS A 43 6.022 -7.585 2.577 1.00 0.71 C ATOM 390 C HIS A 43 4.998 -6.472 2.378 1.00 0.67 C ATOM 391 O HIS A 43 5.142 -5.377 2.927 1.00 0.67 O ATOM 392 CB HIS A 43 5.360 -8.782 3.268 1.00 0.82 C ATOM 393 CG HIS A 43 6.211 -10.015 3.290 1.00 0.84 C ATOM 394 ND1 HIS A 43 7.206 -10.245 4.213 1.00 0.93 N ATOM 395 CD2 HIS A 43 6.197 -11.101 2.475 1.00 0.97 C ATOM 396 CE1 HIS A 43 7.757 -11.435 3.935 1.00 0.94 C ATOM 397 NE2 HIS A 43 7.180 -11.996 2.891 1.00 0.94 N ATOM 0 H HIS A 43 7.102 -7.320 4.356 1.00 0.70 H new ATOM 0 HA HIS A 43 6.391 -7.897 1.600 1.00 0.71 H new ATOM 0 HB2 HIS A 43 5.111 -8.506 4.293 1.00 0.82 H new ATOM 0 HB3 HIS A 43 4.422 -9.009 2.762 1.00 0.82 H new ATOM 0 HD2 HIS A 43 5.530 -11.247 1.638 1.00 0.97 H new ATOM 0 HE1 HIS A 43 8.569 -11.877 4.494 1.00 0.94 H new ATOM 0 HE2 HIS A 43 7.407 -12.899 2.474 1.00 0.94 H new ATOM 405 N LEU A 44 3.959 -6.759 1.596 1.00 0.66 N ATOM 406 CA LEU A 44 2.909 -5.780 1.330 1.00 0.64 C ATOM 407 C LEU A 44 1.930 -5.689 2.493 1.00 0.63 C ATOM 408 O LEU A 44 1.064 -4.813 2.514 1.00 0.58 O ATOM 409 CB LEU A 44 2.154 -6.128 0.049 1.00 0.64 C ATOM 410 CG LEU A 44 2.902 -5.834 -1.249 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.046 -6.219 -2.443 1.00 0.72 C ATOM 412 CD2 LEU A 44 3.297 -4.366 -1.324 1.00 0.68 C ATOM 0 H LEU A 44 3.823 -7.660 1.137 1.00 0.66 H new ATOM 0 HA LEU A 44 3.392 -4.811 1.206 1.00 0.64 H new ATOM 0 HB2 LEU A 44 1.902 -7.188 0.072 1.00 0.64 H new ATOM 0 HB3 LEU A 44 1.214 -5.577 0.040 1.00 0.64 H new ATOM 0 HG LEU A 44 3.815 -6.430 -1.266 1.00 0.69 H new ATOM 0 HD11 LEU A 44 2.589 -6.005 -3.364 1.00 0.72 H new ATOM 0 HD12 LEU A 44 1.815 -7.283 -2.397 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.119 -5.645 -2.427 1.00 0.72 H new ATOM 0 HD21 LEU A 44 3.829 -4.179 -2.257 1.00 0.68 H new ATOM 0 HD22 LEU A 44 2.401 -3.746 -1.286 1.00 0.68 H new ATOM 0 HD23 LEU A 44 3.944 -4.120 -0.482 1.00 0.68 H new ATOM 424 N LYS A 45 2.062 -6.601 3.453 1.00 0.68 N ATOM 425 CA LYS A 45 1.194 -6.601 4.620 1.00 0.70 C ATOM 426 C LYS A 45 1.472 -5.372 5.476 1.00 0.69 C ATOM 427 O LYS A 45 0.554 -4.783 6.045 1.00 0.69 O ATOM 428 CB LYS A 45 1.391 -7.874 5.444 1.00 0.78 C ATOM 429 CG LYS A 45 0.339 -8.054 6.525 1.00 0.82 C ATOM 430 CD LYS A 45 0.461 -9.403 7.208 1.00 0.85 C ATOM 431 CE LYS A 45 -0.610 -9.577 8.270 1.00 0.90 C ATOM 432 NZ LYS A 45 -0.584 -10.940 8.867 1.00 0.93 N ATOM 0 H LYS A 45 2.760 -7.345 3.443 1.00 0.68 H new ATOM 0 HA LYS A 45 0.159 -6.572 4.280 1.00 0.70 H new ATOM 0 HB2 LYS A 45 1.371 -8.737 4.778 1.00 0.78 H new ATOM 0 HB3 LYS A 45 2.378 -7.851 5.906 1.00 0.78 H new ATOM 0 HG2 LYS A 45 0.439 -7.261 7.266 1.00 0.82 H new ATOM 0 HG3 LYS A 45 -0.654 -7.957 6.086 1.00 0.82 H new ATOM 0 HD2 LYS A 45 0.376 -10.198 6.467 1.00 0.85 H new ATOM 0 HD3 LYS A 45 1.447 -9.496 7.663 1.00 0.85 H new ATOM 0 HE2 LYS A 45 -0.467 -8.834 9.055 1.00 0.90 H new ATOM 0 HE3 LYS A 45 -1.590 -9.392 7.831 1.00 0.90 H new ATOM 0 HZ1 LYS A 45 -1.330 -11.018 9.587 1.00 0.93 H new ATOM 0 HZ2 LYS A 45 -0.746 -11.648 8.123 1.00 0.93 H new ATOM 0 HZ3 LYS A 45 0.342 -11.108 9.309 1.00 0.93 H new ATOM 446 N LYS A 46 2.745 -4.980 5.544 1.00 0.71 N ATOM 447 CA LYS A 46 3.146 -3.809 6.314 1.00 0.74 C ATOM 448 C LYS A 46 2.715 -2.534 5.601 1.00 0.64 C ATOM 449 O LYS A 46 2.494 -1.505 6.235 1.00 0.64 O ATOM 450 CB LYS A 46 4.657 -3.807 6.551 1.00 0.81 C ATOM 451 CG LYS A 46 5.104 -4.788 7.626 1.00 0.88 C ATOM 452 CD LYS A 46 4.587 -4.385 8.999 1.00 0.99 C ATOM 453 CE LYS A 46 4.849 -5.467 10.034 1.00 1.10 C ATOM 454 NZ LYS A 46 4.118 -5.205 11.304 1.00 1.27 N ATOM 0 H LYS A 46 3.514 -5.458 5.074 1.00 0.71 H new ATOM 0 HA LYS A 46 2.650 -3.849 7.284 1.00 0.74 H new ATOM 0 HB2 LYS A 46 5.164 -4.048 5.617 1.00 0.81 H new ATOM 0 HB3 LYS A 46 4.971 -2.802 6.834 1.00 0.81 H new ATOM 0 HG2 LYS A 46 4.745 -5.787 7.380 1.00 0.88 H new ATOM 0 HG3 LYS A 46 6.193 -4.836 7.646 1.00 0.88 H new ATOM 0 HD2 LYS A 46 5.067 -3.458 9.312 1.00 0.99 H new ATOM 0 HD3 LYS A 46 3.517 -4.187 8.942 1.00 0.99 H new ATOM 0 HE2 LYS A 46 4.546 -6.434 9.633 1.00 1.10 H new ATOM 0 HE3 LYS A 46 5.919 -5.526 10.236 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 4.125 -6.063 11.892 1.00 1.27 H new ATOM 0 HZ2 LYS A 46 4.582 -4.429 11.818 1.00 1.27 H new ATOM 0 HZ3 LYS A 46 3.135 -4.940 11.091 1.00 1.27 H new ATOM 468 N LEU A 47 2.603 -2.614 4.276 1.00 0.58 N ATOM 469 CA LEU A 47 2.156 -1.483 3.471 1.00 0.50 C ATOM 470 C LEU A 47 0.677 -1.231 3.745 1.00 0.45 C ATOM 471 O LEU A 47 0.224 -0.087 3.808 1.00 0.42 O ATOM 472 CB LEU A 47 2.387 -1.772 1.981 1.00 0.50 C ATOM 473 CG LEU A 47 1.559 -0.931 1.003 1.00 0.49 C ATOM 474 CD1 LEU A 47 2.431 -0.428 -0.133 1.00 0.51 C ATOM 475 CD2 LEU A 47 0.393 -1.743 0.452 1.00 0.63 C ATOM 0 H LEU A 47 2.817 -3.454 3.738 1.00 0.58 H new ATOM 0 HA LEU A 47 2.727 -0.594 3.737 1.00 0.50 H new ATOM 0 HB2 LEU A 47 3.443 -1.618 1.760 1.00 0.50 H new ATOM 0 HB3 LEU A 47 2.173 -2.825 1.797 1.00 0.50 H new ATOM 0 HG LEU A 47 1.159 -0.073 1.543 1.00 0.49 H new ATOM 0 HD11 LEU A 47 1.828 0.167 -0.819 1.00 0.51 H new ATOM 0 HD12 LEU A 47 3.235 0.187 0.271 1.00 0.51 H new ATOM 0 HD13 LEU A 47 2.857 -1.277 -0.668 1.00 0.51 H new ATOM 0 HD21 LEU A 47 -0.183 -1.129 -0.240 1.00 0.63 H new ATOM 0 HD22 LEU A 47 0.775 -2.619 -0.072 1.00 0.63 H new ATOM 0 HD23 LEU A 47 -0.248 -2.062 1.273 1.00 0.63 H new ATOM 487 N LYS A 48 -0.060 -2.328 3.908 1.00 0.46 N ATOM 488 CA LYS A 48 -1.485 -2.280 4.197 1.00 0.44 C ATOM 489 C LYS A 48 -1.717 -1.724 5.601 1.00 0.48 C ATOM 490 O LYS A 48 -2.673 -0.987 5.839 1.00 0.48 O ATOM 491 CB LYS A 48 -2.081 -3.685 4.072 1.00 0.48 C ATOM 492 CG LYS A 48 -3.599 -3.719 4.034 1.00 0.50 C ATOM 493 CD LYS A 48 -4.114 -5.146 3.931 1.00 0.59 C ATOM 494 CE LYS A 48 -5.632 -5.195 3.904 1.00 0.65 C ATOM 495 NZ LYS A 48 -6.140 -6.594 3.926 1.00 0.77 N ATOM 0 H LYS A 48 0.317 -3.273 3.843 1.00 0.46 H new ATOM 0 HA LYS A 48 -1.977 -1.622 3.481 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -1.696 -4.151 3.165 1.00 0.48 H new ATOM 0 HB3 LYS A 48 -1.737 -4.289 4.911 1.00 0.48 H new ATOM 0 HG2 LYS A 48 -3.999 -3.249 4.933 1.00 0.50 H new ATOM 0 HG3 LYS A 48 -3.957 -3.138 3.184 1.00 0.50 H new ATOM 0 HD2 LYS A 48 -3.719 -5.611 3.028 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -3.746 -5.728 4.776 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -6.029 -4.651 4.761 1.00 0.65 H new ATOM 0 HE3 LYS A 48 -5.996 -4.690 3.009 1.00 0.65 H new ATOM 0 HZ1 LYS A 48 -7.180 -6.586 3.907 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.782 -7.106 3.095 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.814 -7.068 4.792 1.00 0.77 H new ATOM 509 N GLU A 49 -0.819 -2.080 6.523 1.00 0.55 N ATOM 510 CA GLU A 49 -0.898 -1.622 7.907 1.00 0.61 C ATOM 511 C GLU A 49 -0.580 -0.134 8.009 1.00 0.61 C ATOM 512 O GLU A 49 -1.224 0.594 8.763 1.00 0.63 O ATOM 513 CB GLU A 49 0.079 -2.409 8.790 1.00 0.71 C ATOM 514 CG GLU A 49 -0.254 -3.887 8.927 1.00 0.76 C ATOM 515 CD GLU A 49 0.848 -4.672 9.613 1.00 0.85 C ATOM 516 OE1 GLU A 49 1.100 -4.421 10.811 1.00 0.95 O ATOM 517 OE2 GLU A 49 1.459 -5.538 8.955 1.00 0.89 O ATOM 0 H GLU A 49 -0.024 -2.689 6.331 1.00 0.55 H new ATOM 0 HA GLU A 49 -1.918 -1.791 8.253 1.00 0.61 H new ATOM 0 HB2 GLU A 49 1.083 -2.311 8.377 1.00 0.71 H new ATOM 0 HB3 GLU A 49 0.097 -1.959 9.783 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -1.179 -3.996 9.493 1.00 0.76 H new ATOM 0 HG3 GLU A 49 -0.434 -4.308 7.938 1.00 0.76 H new ATOM 524 N SER A 50 0.413 0.306 7.236 1.00 0.60 N ATOM 525 CA SER A 50 0.842 1.703 7.234 1.00 0.62 C ATOM 526 C SER A 50 -0.244 2.636 6.699 1.00 0.54 C ATOM 527 O SER A 50 -0.430 3.735 7.215 1.00 0.56 O ATOM 528 CB SER A 50 2.117 1.858 6.401 1.00 0.67 C ATOM 529 OG SER A 50 3.203 1.169 6.995 1.00 1.22 O ATOM 0 H SER A 50 0.939 -0.292 6.598 1.00 0.60 H new ATOM 0 HA SER A 50 1.040 1.986 8.268 1.00 0.62 H new ATOM 0 HB2 SER A 50 1.946 1.475 5.395 1.00 0.67 H new ATOM 0 HB3 SER A 50 2.364 2.915 6.302 1.00 0.67 H new ATOM 0 HG SER A 50 3.112 0.208 6.826 1.00 1.22 H new ATOM 535 N TYR A 51 -0.953 2.198 5.662 1.00 0.47 N ATOM 536 CA TYR A 51 -2.015 3.004 5.067 1.00 0.41 C ATOM 537 C TYR A 51 -3.225 3.103 5.994 1.00 0.43 C ATOM 538 O TYR A 51 -3.864 4.149 6.080 1.00 0.44 O ATOM 539 CB TYR A 51 -2.438 2.420 3.716 1.00 0.38 C ATOM 540 CG TYR A 51 -3.356 3.324 2.922 1.00 0.38 C ATOM 541 CD1 TYR A 51 -2.894 4.521 2.389 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.684 2.980 2.704 1.00 0.45 C ATOM 543 CE1 TYR A 51 -3.729 5.350 1.665 1.00 0.46 C ATOM 544 CE2 TYR A 51 -5.525 3.804 1.980 1.00 0.50 C ATOM 545 CZ TYR A 51 -5.042 4.986 1.464 1.00 0.47 C ATOM 546 OH TYR A 51 -5.876 5.810 0.741 1.00 0.55 O ATOM 0 H TYR A 51 -0.812 1.291 5.217 1.00 0.47 H new ATOM 0 HA TYR A 51 -1.621 4.009 4.914 1.00 0.41 H new ATOM 0 HB2 TYR A 51 -1.546 2.213 3.125 1.00 0.38 H new ATOM 0 HB3 TYR A 51 -2.938 1.466 3.883 1.00 0.38 H new ATOM 0 HD1 TYR A 51 -1.864 4.808 2.543 1.00 0.42 H new ATOM 0 HD2 TYR A 51 -5.066 2.053 3.107 1.00 0.45 H new ATOM 0 HE1 TYR A 51 -3.354 6.278 1.259 1.00 0.46 H new ATOM 0 HE2 TYR A 51 -6.555 3.522 1.820 1.00 0.50 H new ATOM 0 HH TYR A 51 -6.769 5.409 0.690 1.00 0.55 H new ATOM 556 N CYS A 52 -3.527 2.011 6.691 1.00 0.45 N ATOM 557 CA CYS A 52 -4.669 1.964 7.600 1.00 0.49 C ATOM 558 C CYS A 52 -4.462 2.830 8.846 1.00 0.56 C ATOM 559 O CYS A 52 -5.398 3.481 9.310 1.00 0.60 O ATOM 560 CB CYS A 52 -4.952 0.518 8.011 1.00 0.53 C ATOM 561 SG CYS A 52 -5.703 -0.484 6.705 1.00 0.50 S ATOM 0 H CYS A 52 -2.994 1.143 6.643 1.00 0.45 H new ATOM 0 HA CYS A 52 -5.525 2.371 7.062 1.00 0.49 H new ATOM 0 HB2 CYS A 52 -4.018 0.050 8.322 1.00 0.53 H new ATOM 0 HB3 CYS A 52 -5.612 0.520 8.878 1.00 0.53 H new ATOM 0 HG CYS A 52 -4.769 -1.010 5.970 1.00 0.50 H new ATOM 567 N GLN A 53 -3.244 2.838 9.388 1.00 0.58 N ATOM 568 CA GLN A 53 -2.948 3.628 10.588 1.00 0.67 C ATOM 569 C GLN A 53 -2.769 5.114 10.267 1.00 0.67 C ATOM 570 O GLN A 53 -3.042 5.972 11.107 1.00 0.74 O ATOM 571 CB GLN A 53 -1.709 3.080 11.312 1.00 0.72 C ATOM 572 CG GLN A 53 -0.437 3.076 10.475 1.00 0.73 C ATOM 573 CD GLN A 53 0.426 4.305 10.696 1.00 0.77 C ATOM 574 OE1 GLN A 53 0.436 4.889 11.780 1.00 0.81 O ATOM 575 NE2 GLN A 53 1.157 4.703 9.663 1.00 0.82 N ATOM 0 H GLN A 53 -2.451 2.312 9.021 1.00 0.58 H new ATOM 0 HA GLN A 53 -3.808 3.538 11.251 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -1.536 3.674 12.209 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -1.916 2.061 11.639 1.00 0.72 H new ATOM 0 HG2 GLN A 53 0.144 2.184 10.712 1.00 0.73 H new ATOM 0 HG3 GLN A 53 -0.704 3.012 9.420 1.00 0.73 H new ATOM 0 HE21 GLN A 53 1.118 4.189 8.783 1.00 0.82 H new ATOM 0 HE22 GLN A 53 1.758 5.523 9.749 1.00 0.82 H new ATOM 584 N ARG A 54 -2.307 5.415 9.054 1.00 0.62 N ATOM 585 CA ARG A 54 -2.090 6.801 8.637 1.00 0.64 C ATOM 586 C ARG A 54 -3.365 7.407 8.045 1.00 0.64 C ATOM 587 O ARG A 54 -3.373 8.560 7.612 1.00 0.75 O ATOM 588 CB ARG A 54 -0.948 6.863 7.612 1.00 0.61 C ATOM 589 CG ARG A 54 -0.370 8.257 7.397 1.00 0.70 C ATOM 590 CD ARG A 54 0.374 8.758 8.627 1.00 0.87 C ATOM 591 NE ARG A 54 1.558 7.952 8.919 1.00 0.98 N ATOM 592 CZ ARG A 54 2.234 8.012 10.065 1.00 1.21 C ATOM 593 NH1 ARG A 54 1.844 8.834 11.031 1.00 1.36 N ATOM 594 NH2 ARG A 54 3.302 7.247 10.247 1.00 1.36 N ATOM 0 H ARG A 54 -2.076 4.720 8.344 1.00 0.62 H new ATOM 0 HA ARG A 54 -1.818 7.385 9.516 1.00 0.64 H new ATOM 0 HB2 ARG A 54 -0.148 6.197 7.937 1.00 0.61 H new ATOM 0 HB3 ARG A 54 -1.312 6.483 6.658 1.00 0.61 H new ATOM 0 HG2 ARG A 54 0.308 8.241 6.544 1.00 0.70 H new ATOM 0 HG3 ARG A 54 -1.175 8.950 7.152 1.00 0.70 H new ATOM 0 HD2 ARG A 54 0.671 9.795 8.473 1.00 0.87 H new ATOM 0 HD3 ARG A 54 -0.296 8.742 9.487 1.00 0.87 H new ATOM 0 HE ARG A 54 1.886 7.305 8.202 1.00 0.98 H new ATOM 0 HH11 ARG A 54 1.023 9.424 10.898 1.00 1.36 H new ATOM 0 HH12 ARG A 54 2.366 8.876 11.907 1.00 1.36 H new ATOM 0 HH21 ARG A 54 3.606 6.612 9.509 1.00 1.36 H new ATOM 0 HH22 ARG A 54 3.819 7.294 11.125 1.00 1.36 H new ATOM 608 N GLN A 55 -4.447 6.634 8.042 1.00 0.59 N ATOM 609 CA GLN A 55 -5.711 7.107 7.491 1.00 0.62 C ATOM 610 C GLN A 55 -6.869 6.904 8.468 1.00 0.68 C ATOM 611 O GLN A 55 -7.959 7.436 8.251 1.00 0.71 O ATOM 612 CB GLN A 55 -6.012 6.375 6.177 1.00 0.57 C ATOM 613 CG GLN A 55 -6.868 7.169 5.202 1.00 0.63 C ATOM 614 CD GLN A 55 -6.105 8.299 4.536 1.00 0.64 C ATOM 615 OE1 GLN A 55 -5.480 8.110 3.494 1.00 0.60 O ATOM 616 NE2 GLN A 55 -6.158 9.484 5.134 1.00 0.76 N ATOM 0 H GLN A 55 -4.474 5.684 8.412 1.00 0.59 H new ATOM 0 HA GLN A 55 -5.612 8.177 7.307 1.00 0.62 H new ATOM 0 HB2 GLN A 55 -5.070 6.121 5.692 1.00 0.57 H new ATOM 0 HB3 GLN A 55 -6.517 5.436 6.405 1.00 0.57 H new ATOM 0 HG2 GLN A 55 -7.256 6.498 4.436 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -7.728 7.580 5.731 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -6.689 9.596 5.998 1.00 0.76 H new ATOM 0 HE22 GLN A 55 -5.668 10.282 4.729 1.00 0.76 H new ATOM 625 N GLY A 56 -6.636 6.155 9.552 1.00 0.71 N ATOM 626 CA GLY A 56 -7.710 5.899 10.498 1.00 0.78 C ATOM 627 C GLY A 56 -8.846 5.067 9.935 1.00 0.77 C ATOM 628 O GLY A 56 -9.997 5.493 9.954 1.00 0.82 O ATOM 0 H GLY A 56 -5.739 5.730 9.786 1.00 0.71 H new ATOM 0 HA2 GLY A 56 -7.298 5.390 11.369 1.00 0.78 H new ATOM 0 HA3 GLY A 56 -8.109 6.852 10.845 1.00 0.78 H new ATOM 632 N VAL A 57 -8.529 3.872 9.452 1.00 0.73 N ATOM 633 CA VAL A 57 -9.529 2.987 8.861 1.00 0.74 C ATOM 634 C VAL A 57 -9.150 1.525 9.083 1.00 0.73 C ATOM 635 O VAL A 57 -8.074 1.098 8.680 1.00 0.68 O ATOM 636 CB VAL A 57 -9.634 3.230 7.344 1.00 0.68 C ATOM 637 CG1 VAL A 57 -10.582 2.231 6.721 1.00 0.71 C ATOM 638 CG2 VAL A 57 -10.103 4.648 7.077 1.00 0.71 C ATOM 0 H VAL A 57 -7.583 3.491 9.458 1.00 0.73 H new ATOM 0 HA VAL A 57 -10.484 3.201 9.341 1.00 0.74 H new ATOM 0 HB VAL A 57 -8.650 3.099 6.894 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -10.648 2.412 5.648 1.00 0.71 H new ATOM 0 HG12 VAL A 57 -10.212 1.221 6.896 1.00 0.71 H new ATOM 0 HG13 VAL A 57 -11.570 2.339 7.169 1.00 0.71 H new ATOM 0 HG21 VAL A 57 -10.174 4.811 6.002 1.00 0.71 H new ATOM 0 HG22 VAL A 57 -11.081 4.800 7.533 1.00 0.71 H new ATOM 0 HG23 VAL A 57 -9.390 5.353 7.504 1.00 0.71 H new ATOM 648 N PRO A 58 -10.041 0.734 9.704 1.00 0.80 N ATOM 649 CA PRO A 58 -9.766 -0.685 9.963 1.00 0.82 C ATOM 650 C PRO A 58 -9.226 -1.473 8.768 1.00 0.76 C ATOM 651 O PRO A 58 -9.692 -1.317 7.640 1.00 0.73 O ATOM 652 CB PRO A 58 -11.114 -1.214 10.461 1.00 0.91 C ATOM 653 CG PRO A 58 -12.103 -0.284 9.839 1.00 0.90 C ATOM 654 CD PRO A 58 -11.439 1.052 10.025 1.00 0.87 C ATOM 0 HA PRO A 58 -8.955 -0.805 10.681 1.00 0.82 H new ATOM 0 HB2 PRO A 58 -11.281 -2.245 10.149 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -11.175 -1.196 11.549 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -12.271 -0.512 8.787 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -13.073 -0.330 10.334 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -11.850 1.810 9.359 1.00 0.87 H new ATOM 0 HD3 PRO A 58 -11.551 1.427 11.042 1.00 0.87 H new ATOM 662 N MET A 59 -8.238 -2.322 9.044 1.00 0.76 N ATOM 663 CA MET A 59 -7.578 -3.155 8.037 1.00 0.72 C ATOM 664 C MET A 59 -8.532 -3.739 6.990 1.00 0.73 C ATOM 665 O MET A 59 -8.167 -3.906 5.821 1.00 0.69 O ATOM 666 CB MET A 59 -6.837 -4.299 8.738 1.00 0.77 C ATOM 667 CG MET A 59 -5.862 -5.080 7.861 1.00 0.74 C ATOM 668 SD MET A 59 -4.370 -4.137 7.488 1.00 0.66 S ATOM 669 CE MET A 59 -3.861 -3.659 9.160 1.00 0.73 C ATOM 0 H MET A 59 -7.867 -2.453 9.985 1.00 0.76 H new ATOM 0 HA MET A 59 -6.890 -2.503 7.498 1.00 0.72 H new ATOM 0 HB2 MET A 59 -6.288 -3.889 9.586 1.00 0.77 H new ATOM 0 HB3 MET A 59 -7.574 -4.994 9.141 1.00 0.77 H new ATOM 0 HG2 MET A 59 -5.587 -6.007 8.364 1.00 0.74 H new ATOM 0 HG3 MET A 59 -6.356 -5.357 6.930 1.00 0.74 H new ATOM 0 HE1 MET A 59 -2.825 -3.322 9.142 1.00 0.73 H new ATOM 0 HE2 MET A 59 -4.499 -2.851 9.518 1.00 0.73 H new ATOM 0 HE3 MET A 59 -3.953 -4.516 9.827 1.00 0.73 H new ATOM 679 N ASN A 60 -9.751 -4.052 7.419 1.00 0.80 N ATOM 680 CA ASN A 60 -10.756 -4.638 6.540 1.00 0.84 C ATOM 681 C ASN A 60 -11.467 -3.603 5.681 1.00 0.82 C ATOM 682 O ASN A 60 -11.477 -3.701 4.457 1.00 0.80 O ATOM 683 CB ASN A 60 -11.799 -5.398 7.364 1.00 0.93 C ATOM 684 CG ASN A 60 -12.548 -4.497 8.335 1.00 0.96 C ATOM 685 OD1 ASN A 60 -11.964 -3.951 9.272 1.00 0.95 O ATOM 686 ND2 ASN A 60 -13.849 -4.334 8.108 1.00 1.01 N ATOM 0 H ASN A 60 -10.068 -3.908 8.378 1.00 0.80 H new ATOM 0 HA ASN A 60 -10.224 -5.316 5.873 1.00 0.84 H new ATOM 0 HB2 ASN A 60 -12.513 -5.873 6.691 1.00 0.93 H new ATOM 0 HB3 ASN A 60 -11.306 -6.195 7.920 1.00 0.93 H new ATOM 0 HD21 ASN A 60 -14.403 -3.737 8.722 1.00 1.01 H new ATOM 0 HD22 ASN A 60 -14.292 -4.806 7.320 1.00 1.01 H new ATOM 693 N SER A 61 -12.068 -2.621 6.344 1.00 0.84 N ATOM 694 CA SER A 61 -12.815 -1.553 5.696 1.00 0.84 C ATOM 695 C SER A 61 -12.481 -1.325 4.223 1.00 0.80 C ATOM 696 O SER A 61 -13.382 -1.123 3.414 1.00 0.85 O ATOM 697 CB SER A 61 -12.629 -0.248 6.479 1.00 0.83 C ATOM 698 OG SER A 61 -13.464 0.793 5.990 1.00 0.85 O ATOM 0 H SER A 61 -12.049 -2.545 7.361 1.00 0.84 H new ATOM 0 HA SER A 61 -13.855 -1.878 5.706 1.00 0.84 H new ATOM 0 HB2 SER A 61 -12.848 -0.423 7.532 1.00 0.83 H new ATOM 0 HB3 SER A 61 -11.587 0.065 6.418 1.00 0.83 H new ATOM 0 HG SER A 61 -13.564 1.483 6.679 1.00 0.85 H new ATOM 704 N LEU A 62 -11.204 -1.366 3.865 1.00 0.73 N ATOM 705 CA LEU A 62 -10.817 -1.131 2.478 1.00 0.70 C ATOM 706 C LEU A 62 -10.550 -2.403 1.673 1.00 0.72 C ATOM 707 O LEU A 62 -10.990 -3.492 2.033 1.00 0.77 O ATOM 708 CB LEU A 62 -9.571 -0.249 2.430 1.00 0.62 C ATOM 709 CG LEU A 62 -9.512 0.934 3.394 1.00 0.61 C ATOM 710 CD1 LEU A 62 -8.220 1.688 3.154 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.716 1.844 3.198 1.00 0.67 C ATOM 0 H LEU A 62 -10.430 -1.556 4.502 1.00 0.73 H new ATOM 0 HA LEU A 62 -11.673 -0.640 2.015 1.00 0.70 H new ATOM 0 HB2 LEU A 62 -8.703 -0.881 2.618 1.00 0.62 H new ATOM 0 HB3 LEU A 62 -9.470 0.137 1.416 1.00 0.62 H new ATOM 0 HG LEU A 62 -9.538 0.574 4.423 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -8.162 2.537 3.835 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -7.373 1.024 3.329 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -8.194 2.046 2.125 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -10.656 2.681 3.894 1.00 0.67 H new ATOM 0 HD22 LEU A 62 -10.724 2.222 2.176 1.00 0.67 H new ATOM 0 HD23 LEU A 62 -11.631 1.282 3.384 1.00 0.67 H new ATOM 723 N ARG A 63 -9.829 -2.230 0.567 1.00 0.69 N ATOM 724 CA ARG A 63 -9.444 -3.312 -0.337 1.00 0.72 C ATOM 725 C ARG A 63 -8.456 -2.705 -1.331 1.00 0.69 C ATOM 726 O ARG A 63 -8.707 -1.621 -1.864 1.00 0.70 O ATOM 727 CB ARG A 63 -10.658 -3.861 -1.089 1.00 0.82 C ATOM 728 CG ARG A 63 -10.301 -4.870 -2.171 1.00 0.86 C ATOM 729 CD ARG A 63 -11.478 -5.157 -3.100 1.00 0.95 C ATOM 730 NE ARG A 63 -12.480 -6.048 -2.514 1.00 1.01 N ATOM 731 CZ ARG A 63 -13.585 -6.441 -3.148 1.00 1.10 C ATOM 732 NH1 ARG A 63 -13.829 -6.016 -4.382 1.00 1.14 N ATOM 733 NH2 ARG A 63 -14.438 -7.266 -2.553 1.00 1.14 N ATOM 0 H ARG A 63 -9.489 -1.316 0.268 1.00 0.69 H new ATOM 0 HA ARG A 63 -9.008 -4.141 0.220 1.00 0.72 H new ATOM 0 HB2 ARG A 63 -11.335 -4.331 -0.375 1.00 0.82 H new ATOM 0 HB3 ARG A 63 -11.199 -3.031 -1.543 1.00 0.82 H new ATOM 0 HG2 ARG A 63 -9.462 -4.492 -2.756 1.00 0.86 H new ATOM 0 HG3 ARG A 63 -9.972 -5.799 -1.705 1.00 0.86 H new ATOM 0 HD2 ARG A 63 -11.955 -4.215 -3.371 1.00 0.95 H new ATOM 0 HD3 ARG A 63 -11.103 -5.601 -4.022 1.00 0.95 H new ATOM 0 HE ARG A 63 -12.324 -6.388 -1.565 1.00 1.01 H new ATOM 0 HH11 ARG A 63 -13.171 -5.389 -4.845 1.00 1.14 H new ATOM 0 HH12 ARG A 63 -14.674 -6.317 -4.867 1.00 1.14 H new ATOM 0 HH21 ARG A 63 -14.249 -7.601 -1.608 1.00 1.14 H new ATOM 0 HH22 ARG A 63 -15.283 -7.565 -3.041 1.00 1.14 H new ATOM 747 N PHE A 64 -7.342 -3.389 -1.577 1.00 0.66 N ATOM 748 CA PHE A 64 -6.322 -2.879 -2.493 1.00 0.64 C ATOM 749 C PHE A 64 -6.206 -3.740 -3.742 1.00 0.72 C ATOM 750 O PHE A 64 -6.306 -4.962 -3.668 1.00 0.75 O ATOM 751 CB PHE A 64 -4.968 -2.813 -1.778 1.00 0.56 C ATOM 752 CG PHE A 64 -5.010 -2.084 -0.466 1.00 0.50 C ATOM 753 CD1 PHE A 64 -5.726 -2.600 0.613 1.00 0.51 C ATOM 754 CD2 PHE A 64 -4.359 -0.869 -0.309 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.795 -1.915 1.826 1.00 0.48 C ATOM 756 CE2 PHE A 64 -4.420 -0.177 0.898 1.00 0.40 C ATOM 757 CZ PHE A 64 -5.142 -0.703 1.968 1.00 0.42 C ATOM 0 H PHE A 64 -7.122 -4.293 -1.158 1.00 0.66 H new ATOM 0 HA PHE A 64 -6.623 -1.879 -2.805 1.00 0.64 H new ATOM 0 HB2 PHE A 64 -4.608 -3.828 -1.608 1.00 0.56 H new ATOM 0 HB3 PHE A 64 -4.246 -2.324 -2.432 1.00 0.56 H new ATOM 0 HD1 PHE A 64 -6.236 -3.546 0.508 1.00 0.51 H new ATOM 0 HD2 PHE A 64 -3.798 -0.455 -1.133 1.00 0.44 H new ATOM 0 HE1 PHE A 64 -6.356 -2.329 2.651 1.00 0.48 H new ATOM 0 HE2 PHE A 64 -3.908 0.768 1.005 1.00 0.40 H new ATOM 0 HZ PHE A 64 -5.192 -0.167 2.904 1.00 0.42 H new ATOM 767 N LEU A 65 -5.983 -3.101 -4.887 1.00 0.75 N ATOM 768 CA LEU A 65 -5.875 -3.824 -6.150 1.00 0.83 C ATOM 769 C LEU A 65 -4.641 -3.460 -6.972 1.00 0.84 C ATOM 770 O LEU A 65 -4.032 -2.404 -6.780 1.00 0.80 O ATOM 771 CB LEU A 65 -7.117 -3.565 -7.005 1.00 0.92 C ATOM 772 CG LEU A 65 -8.492 -3.677 -6.348 1.00 0.93 C ATOM 773 CD1 LEU A 65 -9.554 -3.349 -7.385 1.00 1.03 C ATOM 774 CD2 LEU A 65 -8.700 -5.074 -5.781 1.00 0.94 C ATOM 0 H LEU A 65 -5.874 -2.090 -4.966 1.00 0.75 H new ATOM 0 HA LEU A 65 -5.785 -4.876 -5.880 1.00 0.83 H new ATOM 0 HB2 LEU A 65 -7.029 -2.561 -7.421 1.00 0.92 H new ATOM 0 HB3 LEU A 65 -7.093 -4.261 -7.844 1.00 0.92 H new ATOM 0 HG LEU A 65 -8.564 -2.973 -5.519 1.00 0.93 H new ATOM 0 HD11 LEU A 65 -10.542 -3.425 -6.931 1.00 1.03 H new ATOM 0 HD12 LEU A 65 -9.401 -2.335 -7.754 1.00 1.03 H new ATOM 0 HD13 LEU A 65 -9.482 -4.052 -8.215 1.00 1.03 H new ATOM 0 HD21 LEU A 65 -9.684 -5.135 -5.317 1.00 0.94 H new ATOM 0 HD22 LEU A 65 -8.631 -5.807 -6.585 1.00 0.94 H new ATOM 0 HD23 LEU A 65 -7.933 -5.282 -5.034 1.00 0.94 H new ATOM 786 N PHE A 66 -4.293 -4.350 -7.897 1.00 0.91 N ATOM 787 CA PHE A 66 -3.160 -4.156 -8.795 1.00 0.94 C ATOM 788 C PHE A 66 -3.452 -4.899 -10.098 1.00 1.04 C ATOM 789 O PHE A 66 -4.049 -5.978 -10.082 1.00 1.07 O ATOM 790 CB PHE A 66 -1.873 -4.686 -8.164 1.00 0.89 C ATOM 791 CG PHE A 66 -0.668 -4.528 -9.042 1.00 0.93 C ATOM 792 CD1 PHE A 66 -0.309 -3.279 -9.529 1.00 0.94 C ATOM 793 CD2 PHE A 66 0.099 -5.632 -9.402 1.00 0.97 C ATOM 794 CE1 PHE A 66 0.793 -3.128 -10.368 1.00 0.99 C ATOM 795 CE2 PHE A 66 1.205 -5.493 -10.240 1.00 1.02 C ATOM 796 CZ PHE A 66 1.552 -4.237 -10.723 1.00 1.03 C ATOM 0 H PHE A 66 -4.790 -5.228 -8.045 1.00 0.91 H new ATOM 0 HA PHE A 66 -3.022 -3.092 -8.989 1.00 0.94 H new ATOM 0 HB2 PHE A 66 -1.698 -4.165 -7.223 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -2.003 -5.741 -7.925 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -0.892 -2.412 -9.254 1.00 0.94 H new ATOM 0 HD2 PHE A 66 -0.166 -6.610 -9.027 1.00 0.97 H new ATOM 0 HE1 PHE A 66 1.057 -2.150 -10.742 1.00 0.99 H new ATOM 0 HE2 PHE A 66 1.790 -6.359 -10.513 1.00 1.02 H new ATOM 0 HZ PHE A 66 2.408 -4.123 -11.372 1.00 1.03 H new ATOM 806 N GLU A 67 -3.036 -4.323 -11.224 1.00 1.10 N ATOM 807 CA GLU A 67 -3.286 -4.931 -12.529 1.00 1.20 C ATOM 808 C GLU A 67 -4.759 -5.321 -12.608 1.00 1.24 C ATOM 809 O GLU A 67 -5.127 -6.285 -13.281 1.00 1.30 O ATOM 810 CB GLU A 67 -2.417 -6.176 -12.728 1.00 1.22 C ATOM 811 CG GLU A 67 -0.936 -5.905 -12.971 1.00 1.21 C ATOM 812 CD GLU A 67 -0.134 -7.185 -13.203 1.00 1.25 C ATOM 813 OE1 GLU A 67 -0.095 -8.042 -12.291 1.00 1.21 O ATOM 814 OE2 GLU A 67 0.459 -7.337 -14.295 1.00 1.32 O ATOM 0 H GLU A 67 -2.527 -3.440 -11.259 1.00 1.10 H new ATOM 0 HA GLU A 67 -3.037 -4.214 -13.311 1.00 1.20 H new ATOM 0 HB2 GLU A 67 -2.514 -6.811 -11.847 1.00 1.22 H new ATOM 0 HB3 GLU A 67 -2.809 -6.742 -13.573 1.00 1.22 H new ATOM 0 HG2 GLU A 67 -0.827 -5.251 -13.836 1.00 1.21 H new ATOM 0 HG3 GLU A 67 -0.523 -5.372 -12.115 1.00 1.21 H new ATOM 821 N GLY A 68 -5.597 -4.566 -11.908 1.00 1.20 N ATOM 822 CA GLY A 68 -7.015 -4.857 -11.908 1.00 1.24 C ATOM 823 C GLY A 68 -7.379 -5.889 -10.860 1.00 1.20 C ATOM 824 O GLY A 68 -8.354 -5.713 -10.128 1.00 1.18 O ATOM 0 H GLY A 68 -5.321 -3.762 -11.344 1.00 1.20 H new ATOM 0 HA2 GLY A 68 -7.574 -3.940 -11.724 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -7.312 -5.219 -12.892 1.00 1.24 H new ATOM 828 N GLN A 69 -6.597 -6.963 -10.772 1.00 1.20 N ATOM 829 CA GLN A 69 -6.877 -8.016 -9.801 1.00 1.17 C ATOM 830 C GLN A 69 -6.465 -7.684 -8.370 1.00 1.07 C ATOM 831 O GLN A 69 -5.498 -6.957 -8.132 1.00 1.01 O ATOM 832 CB GLN A 69 -6.233 -9.335 -10.243 1.00 1.22 C ATOM 833 CG GLN A 69 -6.886 -9.936 -11.484 1.00 1.32 C ATOM 834 CD GLN A 69 -6.529 -11.397 -11.698 1.00 1.37 C ATOM 835 OE1 GLN A 69 -5.359 -11.750 -11.831 1.00 1.36 O ATOM 836 NE2 GLN A 69 -7.547 -12.252 -11.733 1.00 1.43 N ATOM 0 H GLN A 69 -5.775 -7.125 -11.354 1.00 1.20 H new ATOM 0 HA GLN A 69 -7.963 -8.113 -9.782 1.00 1.17 H new ATOM 0 HB2 GLN A 69 -5.175 -9.166 -10.443 1.00 1.22 H new ATOM 0 HB3 GLN A 69 -6.293 -10.053 -9.425 1.00 1.22 H new ATOM 0 HG2 GLN A 69 -7.969 -9.842 -11.399 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -6.584 -9.362 -12.360 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -8.502 -11.913 -11.618 1.00 1.43 H new ATOM 0 HE22 GLN A 69 -7.373 -13.247 -11.875 1.00 1.43 H new ATOM 845 N ARG A 70 -7.219 -8.235 -7.424 1.00 1.06 N ATOM 846 CA ARG A 70 -7.000 -8.021 -5.999 1.00 0.98 C ATOM 847 C ARG A 70 -5.573 -8.305 -5.547 1.00 0.93 C ATOM 848 O ARG A 70 -4.776 -8.880 -6.289 1.00 0.97 O ATOM 849 CB ARG A 70 -7.980 -8.880 -5.203 1.00 1.01 C ATOM 850 CG ARG A 70 -8.053 -8.548 -3.736 1.00 0.94 C ATOM 851 CD ARG A 70 -9.343 -9.069 -3.147 1.00 0.99 C ATOM 852 NE ARG A 70 -9.593 -8.514 -1.820 1.00 0.94 N ATOM 853 CZ ARG A 70 -10.758 -8.590 -1.186 1.00 0.98 C ATOM 854 NH1 ARG A 70 -11.786 -9.202 -1.761 1.00 1.06 N ATOM 855 NH2 ARG A 70 -10.898 -8.050 0.019 1.00 0.94 N ATOM 0 H ARG A 70 -8.007 -8.849 -7.628 1.00 1.06 H new ATOM 0 HA ARG A 70 -7.171 -6.961 -5.810 1.00 0.98 H new ATOM 0 HB2 ARG A 70 -8.974 -8.771 -5.637 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -7.697 -9.927 -5.312 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -7.203 -8.987 -3.214 1.00 0.94 H new ATOM 0 HG3 ARG A 70 -7.991 -7.469 -3.596 1.00 0.94 H new ATOM 0 HD2 ARG A 70 -10.172 -8.819 -3.808 1.00 0.99 H new ATOM 0 HD3 ARG A 70 -9.302 -10.156 -3.085 1.00 0.99 H new ATOM 0 HE ARG A 70 -8.824 -8.037 -1.349 1.00 0.94 H new ATOM 0 HH11 ARG A 70 -11.681 -9.613 -2.688 1.00 1.06 H new ATOM 0 HH12 ARG A 70 -12.681 -9.261 -1.275 1.00 1.06 H new ATOM 0 HH21 ARG A 70 -10.110 -7.575 0.460 1.00 0.94 H new ATOM 0 HH22 ARG A 70 -11.793 -8.110 0.504 1.00 0.94 H new ATOM 869 N ILE A 71 -5.256 -7.892 -4.324 1.00 0.85 N ATOM 870 CA ILE A 71 -3.926 -8.091 -3.762 1.00 0.81 C ATOM 871 C ILE A 71 -3.938 -8.977 -2.519 1.00 0.81 C ATOM 872 O ILE A 71 -4.656 -8.709 -1.552 1.00 0.79 O ATOM 873 CB ILE A 71 -3.259 -6.744 -3.398 1.00 0.73 C ATOM 874 CG1 ILE A 71 -2.881 -5.996 -4.678 1.00 0.75 C ATOM 875 CG2 ILE A 71 -2.032 -6.982 -2.532 1.00 0.69 C ATOM 876 CD1 ILE A 71 -2.210 -4.658 -4.435 1.00 0.68 C ATOM 0 H ILE A 71 -5.907 -7.415 -3.700 1.00 0.85 H new ATOM 0 HA ILE A 71 -3.352 -8.592 -4.541 1.00 0.81 H new ATOM 0 HB ILE A 71 -3.963 -6.135 -2.830 1.00 0.73 H new ATOM 0 HG12 ILE A 71 -2.214 -6.623 -5.270 1.00 0.75 H new ATOM 0 HG13 ILE A 71 -3.780 -5.837 -5.273 1.00 0.75 H new ATOM 0 HG21 ILE A 71 -1.572 -6.026 -2.283 1.00 0.69 H new ATOM 0 HG22 ILE A 71 -2.327 -7.493 -1.615 1.00 0.69 H new ATOM 0 HG23 ILE A 71 -1.316 -7.598 -3.076 1.00 0.69 H new ATOM 0 HD11 ILE A 71 -1.973 -4.191 -5.391 1.00 0.68 H new ATOM 0 HD12 ILE A 71 -2.882 -4.011 -3.871 1.00 0.68 H new ATOM 0 HD13 ILE A 71 -1.291 -4.809 -3.868 1.00 0.68 H new ATOM 888 N ALA A 72 -3.126 -10.032 -2.566 1.00 0.85 N ATOM 889 CA ALA A 72 -3.006 -10.982 -1.467 1.00 0.88 C ATOM 890 C ALA A 72 -2.395 -10.290 -0.263 1.00 0.82 C ATOM 891 O ALA A 72 -1.633 -9.336 -0.404 1.00 0.77 O ATOM 892 CB ALA A 72 -2.140 -12.173 -1.883 1.00 0.95 C ATOM 0 H ALA A 72 -2.534 -10.250 -3.368 1.00 0.85 H new ATOM 0 HA ALA A 72 -3.998 -11.351 -1.207 1.00 0.88 H new ATOM 0 HB1 ALA A 72 -2.060 -12.873 -1.051 1.00 0.95 H new ATOM 0 HB2 ALA A 72 -2.596 -12.674 -2.737 1.00 0.95 H new ATOM 0 HB3 ALA A 72 -1.146 -11.821 -2.158 1.00 0.95 H new ATOM 898 N ASP A 73 -2.728 -10.786 0.920 1.00 0.85 N ATOM 899 CA ASP A 73 -2.223 -10.217 2.156 1.00 0.81 C ATOM 900 C ASP A 73 -0.747 -10.569 2.372 1.00 0.84 C ATOM 901 O ASP A 73 -0.034 -9.879 3.103 1.00 0.81 O ATOM 902 CB ASP A 73 -3.063 -10.725 3.323 1.00 0.86 C ATOM 903 CG ASP A 73 -3.012 -9.806 4.513 1.00 0.83 C ATOM 904 OD1 ASP A 73 -3.370 -8.619 4.356 1.00 0.76 O ATOM 905 OD2 ASP A 73 -2.619 -10.272 5.604 1.00 0.88 O ATOM 0 H ASP A 73 -3.349 -11.585 1.047 1.00 0.85 H new ATOM 0 HA ASP A 73 -2.296 -9.131 2.094 1.00 0.81 H new ATOM 0 HB2 ASP A 73 -4.098 -10.838 2.999 1.00 0.86 H new ATOM 0 HB3 ASP A 73 -2.711 -11.714 3.616 1.00 0.86 H new ATOM 910 N ASN A 74 -0.299 -11.642 1.726 1.00 0.90 N ATOM 911 CA ASN A 74 1.087 -12.100 1.830 1.00 0.94 C ATOM 912 C ASN A 74 1.870 -11.737 0.580 1.00 0.92 C ATOM 913 O ASN A 74 3.062 -12.020 0.480 1.00 0.95 O ATOM 914 CB ASN A 74 1.129 -13.613 2.037 1.00 1.03 C ATOM 915 CG ASN A 74 0.634 -14.026 3.407 1.00 1.07 C ATOM 916 OD1 ASN A 74 0.474 -13.052 4.297 1.00 1.14 O flip ATOM 917 ND2 ASN A 74 0.404 -15.208 3.665 1.00 1.02 N flip ATOM 0 H ASN A 74 -0.882 -12.217 1.118 1.00 0.90 H new ATOM 0 HA ASN A 74 1.544 -11.605 2.687 1.00 0.94 H new ATOM 0 HB2 ASN A 74 0.521 -14.098 1.273 1.00 1.03 H new ATOM 0 HB3 ASN A 74 2.151 -13.966 1.902 1.00 1.03 H new ATOM 0 HD21 ASN A 74 0.541 -15.922 2.950 1.00 1.02 H new ATOM 0 HD22 ASN A 74 0.076 -15.473 4.594 1.00 1.02 H new ATOM 924 N HIS A 75 1.184 -11.110 -0.370 1.00 0.88 N ATOM 925 CA HIS A 75 1.790 -10.691 -1.630 1.00 0.87 C ATOM 926 C HIS A 75 3.044 -9.842 -1.405 1.00 0.84 C ATOM 927 O HIS A 75 3.328 -9.419 -0.284 1.00 0.82 O ATOM 928 CB HIS A 75 0.775 -9.883 -2.448 1.00 0.83 C ATOM 929 CG HIS A 75 0.524 -10.433 -3.816 1.00 0.89 C ATOM 930 ND1 HIS A 75 -0.623 -10.801 -4.433 1.00 0.94 N flip ATOM 931 CD2 HIS A 75 1.538 -10.662 -4.724 1.00 0.93 C flip ATOM 932 CE1 HIS A 75 -0.286 -11.247 -5.686 1.00 1.00 C flip ATOM 933 NE2 HIS A 75 1.023 -11.153 -5.838 1.00 0.99 N flip ATOM 0 H HIS A 75 0.194 -10.878 -0.289 1.00 0.88 H new ATOM 0 HA HIS A 75 2.082 -11.591 -2.170 1.00 0.87 H new ATOM 0 HB2 HIS A 75 -0.168 -9.846 -1.903 1.00 0.83 H new ATOM 0 HB3 HIS A 75 1.131 -8.857 -2.539 1.00 0.83 H new ATOM 0 HD2 HIS A 75 2.587 -10.470 -4.552 1.00 0.93 H new ATOM 0 HE1 HIS A 75 -0.979 -11.615 -6.428 1.00 1.00 H new ATOM 0 HE2 HIS A 75 1.547 -11.415 -6.673 1.00 0.99 H new ATOM 941 N THR A 76 3.781 -9.600 -2.486 1.00 0.86 N ATOM 942 CA THR A 76 5.004 -8.801 -2.463 1.00 0.86 C ATOM 943 C THR A 76 5.482 -8.762 -3.901 1.00 0.90 C ATOM 944 O THR A 76 5.296 -9.732 -4.628 1.00 0.95 O ATOM 945 CB THR A 76 6.109 -9.451 -1.597 1.00 0.91 C ATOM 946 OG1 THR A 76 5.703 -9.464 -0.224 1.00 0.89 O ATOM 947 CG2 THR A 76 7.416 -8.678 -1.717 1.00 0.92 C ATOM 0 H THR A 76 3.544 -9.956 -3.412 1.00 0.86 H new ATOM 0 HA THR A 76 4.803 -7.817 -2.040 1.00 0.86 H new ATOM 0 HB THR A 76 6.264 -10.470 -1.952 1.00 0.91 H new ATOM 0 HG1 THR A 76 4.886 -8.932 -0.119 1.00 0.89 H new ATOM 0 HG21 THR A 76 8.178 -9.154 -1.099 1.00 0.92 H new ATOM 0 HG22 THR A 76 7.742 -8.674 -2.757 1.00 0.92 H new ATOM 0 HG23 THR A 76 7.264 -7.652 -1.380 1.00 0.92 H new ATOM 955 N PRO A 77 6.091 -7.641 -4.337 1.00 0.88 N ATOM 956 CA PRO A 77 6.588 -7.523 -5.713 1.00 0.94 C ATOM 957 C PRO A 77 7.359 -8.775 -6.123 1.00 1.02 C ATOM 958 O PRO A 77 7.663 -8.985 -7.299 1.00 1.08 O ATOM 959 CB PRO A 77 7.468 -6.283 -5.652 1.00 0.93 C ATOM 960 CG PRO A 77 6.723 -5.424 -4.696 1.00 0.84 C ATOM 961 CD PRO A 77 6.341 -6.395 -3.591 1.00 0.83 C ATOM 0 HA PRO A 77 5.801 -7.432 -6.462 1.00 0.94 H new ATOM 0 HB2 PRO A 77 8.473 -6.513 -5.297 1.00 0.93 H new ATOM 0 HB3 PRO A 77 7.575 -5.810 -6.628 1.00 0.93 H new ATOM 0 HG2 PRO A 77 7.341 -4.608 -4.321 1.00 0.84 H new ATOM 0 HG3 PRO A 77 5.845 -4.973 -5.158 1.00 0.84 H new ATOM 0 HD2 PRO A 77 7.140 -6.513 -2.860 1.00 0.83 H new ATOM 0 HD3 PRO A 77 5.457 -6.063 -3.046 1.00 0.83 H new ATOM 969 N LYS A 78 7.673 -9.593 -5.122 1.00 1.03 N ATOM 970 CA LYS A 78 8.376 -10.851 -5.320 1.00 1.11 C ATOM 971 C LYS A 78 7.480 -11.716 -6.198 1.00 1.14 C ATOM 972 O LYS A 78 7.940 -12.638 -6.871 1.00 1.21 O ATOM 973 CB LYS A 78 8.600 -11.528 -3.963 1.00 1.12 C ATOM 974 CG LYS A 78 9.262 -12.898 -4.021 1.00 1.20 C ATOM 975 CD LYS A 78 9.335 -13.524 -2.632 1.00 1.22 C ATOM 976 CE LYS A 78 9.891 -14.939 -2.681 1.00 1.31 C ATOM 977 NZ LYS A 78 9.875 -15.591 -1.340 1.00 1.33 N ATOM 0 H LYS A 78 7.445 -9.398 -4.147 1.00 1.03 H new ATOM 0 HA LYS A 78 9.349 -10.699 -5.788 1.00 1.11 H new ATOM 0 HB2 LYS A 78 9.213 -10.872 -3.345 1.00 1.12 H new ATOM 0 HB3 LYS A 78 7.637 -11.629 -3.462 1.00 1.12 H new ATOM 0 HG2 LYS A 78 8.700 -13.550 -4.690 1.00 1.20 H new ATOM 0 HG3 LYS A 78 10.266 -12.805 -4.436 1.00 1.20 H new ATOM 0 HD2 LYS A 78 9.963 -12.908 -1.988 1.00 1.22 H new ATOM 0 HD3 LYS A 78 8.340 -13.539 -2.187 1.00 1.22 H new ATOM 0 HE2 LYS A 78 9.305 -15.535 -3.381 1.00 1.31 H new ATOM 0 HE3 LYS A 78 10.913 -14.914 -3.060 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 10.262 -16.553 -1.417 1.00 1.33 H new ATOM 0 HZ2 LYS A 78 10.455 -15.037 -0.678 1.00 1.33 H new ATOM 0 HZ3 LYS A 78 8.897 -15.638 -0.989 1.00 1.33 H new ATOM 991 N GLU A 79 6.190 -11.393 -6.189 1.00 1.09 N ATOM 992 CA GLU A 79 5.195 -12.120 -6.962 1.00 1.13 C ATOM 993 C GLU A 79 4.556 -11.245 -8.039 1.00 1.12 C ATOM 994 O GLU A 79 4.194 -11.736 -9.107 1.00 1.18 O ATOM 995 CB GLU A 79 4.101 -12.643 -6.032 1.00 1.10 C ATOM 996 CG GLU A 79 4.617 -13.400 -4.825 1.00 1.12 C ATOM 997 CD GLU A 79 5.414 -14.628 -5.210 1.00 1.20 C ATOM 998 OE1 GLU A 79 4.873 -15.484 -5.942 1.00 1.25 O ATOM 999 OE2 GLU A 79 6.581 -14.739 -4.777 1.00 1.23 O ATOM 0 H GLU A 79 5.808 -10.620 -5.645 1.00 1.09 H new ATOM 0 HA GLU A 79 5.705 -12.948 -7.455 1.00 1.13 H new ATOM 0 HB2 GLU A 79 3.500 -11.801 -5.688 1.00 1.10 H new ATOM 0 HB3 GLU A 79 3.439 -13.297 -6.600 1.00 1.10 H new ATOM 0 HG2 GLU A 79 5.242 -12.739 -4.225 1.00 1.12 H new ATOM 0 HG3 GLU A 79 3.775 -13.698 -4.200 1.00 1.12 H new ATOM 1006 N LEU A 80 4.419 -9.950 -7.753 1.00 1.06 N ATOM 1007 CA LEU A 80 3.799 -9.007 -8.685 1.00 1.05 C ATOM 1008 C LEU A 80 4.760 -8.355 -9.664 1.00 1.10 C ATOM 1009 O LEU A 80 4.329 -7.715 -10.626 1.00 1.12 O ATOM 1010 CB LEU A 80 3.064 -7.916 -7.911 1.00 0.97 C ATOM 1011 CG LEU A 80 1.810 -8.377 -7.175 1.00 0.94 C ATOM 1012 CD1 LEU A 80 1.224 -7.241 -6.355 1.00 0.85 C ATOM 1013 CD2 LEU A 80 0.808 -8.879 -8.194 1.00 1.00 C ATOM 0 H LEU A 80 4.731 -9.528 -6.878 1.00 1.06 H new ATOM 0 HA LEU A 80 3.111 -9.605 -9.283 1.00 1.05 H new ATOM 0 HB2 LEU A 80 3.752 -7.480 -7.187 1.00 0.97 H new ATOM 0 HB3 LEU A 80 2.788 -7.123 -8.606 1.00 0.97 H new ATOM 0 HG LEU A 80 2.062 -9.183 -6.485 1.00 0.94 H new ATOM 0 HD11 LEU A 80 0.330 -7.589 -5.837 1.00 0.85 H new ATOM 0 HD12 LEU A 80 1.959 -6.904 -5.624 1.00 0.85 H new ATOM 0 HD13 LEU A 80 0.962 -6.414 -7.015 1.00 0.85 H new ATOM 0 HD21 LEU A 80 -0.095 -9.213 -7.683 1.00 1.00 H new ATOM 0 HD22 LEU A 80 0.557 -8.074 -8.885 1.00 1.00 H new ATOM 0 HD23 LEU A 80 1.240 -9.712 -8.749 1.00 1.00 H new ATOM 1025 N GLY A 81 6.056 -8.508 -9.417 1.00 1.11 N ATOM 1026 CA GLY A 81 7.044 -7.915 -10.298 1.00 1.16 C ATOM 1027 C GLY A 81 6.768 -6.443 -10.535 1.00 1.13 C ATOM 1028 O GLY A 81 7.087 -5.896 -11.589 1.00 1.18 O ATOM 0 H GLY A 81 6.438 -9.029 -8.628 1.00 1.11 H new ATOM 0 HA2 GLY A 81 8.037 -8.035 -9.865 1.00 1.16 H new ATOM 0 HA3 GLY A 81 7.046 -8.444 -11.251 1.00 1.16 H new ATOM 1032 N MET A 82 6.166 -5.800 -9.544 1.00 1.05 N ATOM 1033 CA MET A 82 5.850 -4.389 -9.650 1.00 1.02 C ATOM 1034 C MET A 82 7.129 -3.571 -9.784 1.00 1.05 C ATOM 1035 O MET A 82 7.969 -3.578 -8.886 1.00 1.02 O ATOM 1036 CB MET A 82 5.080 -3.925 -8.410 1.00 0.93 C ATOM 1037 CG MET A 82 3.800 -4.700 -8.143 1.00 0.90 C ATOM 1038 SD MET A 82 2.802 -3.981 -6.815 1.00 0.80 S ATOM 1039 CE MET A 82 3.438 -4.848 -5.385 1.00 0.76 C ATOM 0 H MET A 82 5.889 -6.233 -8.663 1.00 1.05 H new ATOM 0 HA MET A 82 5.232 -4.240 -10.536 1.00 1.02 H new ATOM 0 HB2 MET A 82 5.731 -4.010 -7.540 1.00 0.93 H new ATOM 0 HB3 MET A 82 4.835 -2.869 -8.523 1.00 0.93 H new ATOM 0 HG2 MET A 82 3.207 -4.737 -9.057 1.00 0.90 H new ATOM 0 HG3 MET A 82 4.052 -5.729 -7.885 1.00 0.90 H new ATOM 0 HE1 MET A 82 2.610 -5.148 -4.743 1.00 0.76 H new ATOM 0 HE2 MET A 82 3.984 -5.734 -5.710 1.00 0.76 H new ATOM 0 HE3 MET A 82 4.108 -4.192 -4.830 1.00 0.76 H new ATOM 1049 N GLU A 83 7.279 -2.875 -10.909 1.00 1.11 N ATOM 1050 CA GLU A 83 8.454 -2.036 -11.130 1.00 1.14 C ATOM 1051 C GLU A 83 8.310 -0.798 -10.250 1.00 1.08 C ATOM 1052 O GLU A 83 7.668 -0.847 -9.202 1.00 1.01 O ATOM 1053 CB GLU A 83 8.544 -1.631 -12.600 1.00 1.23 C ATOM 1054 CG GLU A 83 9.751 -2.247 -13.374 1.00 1.31 C ATOM 1055 CD GLU A 83 9.789 -1.883 -14.864 1.00 1.40 C ATOM 1056 OE1 GLU A 83 9.213 -2.640 -15.684 1.00 1.44 O ATOM 1057 OE2 GLU A 83 10.424 -0.858 -15.218 1.00 1.43 O ATOM 0 H GLU A 83 6.607 -2.875 -11.676 1.00 1.11 H new ATOM 0 HA GLU A 83 9.364 -2.580 -10.876 1.00 1.14 H new ATOM 0 HB2 GLU A 83 7.621 -1.924 -13.101 1.00 1.23 H new ATOM 0 HB3 GLU A 83 8.608 -0.545 -12.660 1.00 1.23 H new ATOM 0 HG2 GLU A 83 10.677 -1.914 -12.906 1.00 1.31 H new ATOM 0 HG3 GLU A 83 9.716 -3.332 -13.276 1.00 1.31 H new ATOM 1064 N GLU A 84 8.913 0.311 -10.662 1.00 1.12 N ATOM 1065 CA GLU A 84 8.798 1.539 -9.887 1.00 1.08 C ATOM 1066 C GLU A 84 7.664 2.332 -10.516 1.00 1.09 C ATOM 1067 O GLU A 84 7.199 1.993 -11.607 1.00 1.14 O ATOM 1068 CB GLU A 84 10.089 2.365 -9.953 1.00 1.14 C ATOM 1069 CG GLU A 84 11.379 1.592 -9.698 1.00 1.17 C ATOM 1070 CD GLU A 84 11.941 0.946 -10.959 1.00 1.25 C ATOM 1071 OE1 GLU A 84 12.235 1.684 -11.925 1.00 1.31 O ATOM 1072 OE2 GLU A 84 12.093 -0.294 -10.982 1.00 1.25 O ATOM 0 H GLU A 84 9.475 0.386 -11.510 1.00 1.12 H new ATOM 0 HA GLU A 84 8.613 1.309 -8.838 1.00 1.08 H new ATOM 0 HB2 GLU A 84 10.153 2.829 -10.937 1.00 1.14 H new ATOM 0 HB3 GLU A 84 10.020 3.173 -9.224 1.00 1.14 H new ATOM 0 HG2 GLU A 84 12.125 2.267 -9.278 1.00 1.17 H new ATOM 0 HG3 GLU A 84 11.193 0.820 -8.952 1.00 1.17 H new ATOM 1079 N GLU A 85 7.211 3.376 -9.831 1.00 1.05 N ATOM 1080 CA GLU A 85 6.138 4.228 -10.341 1.00 1.07 C ATOM 1081 C GLU A 85 4.788 3.514 -10.422 1.00 1.04 C ATOM 1082 O GLU A 85 3.788 4.110 -10.821 1.00 1.06 O ATOM 1083 CB GLU A 85 6.518 4.766 -11.727 1.00 1.17 C ATOM 1084 CG GLU A 85 5.547 5.782 -12.306 1.00 1.21 C ATOM 1085 CD GLU A 85 5.507 7.064 -11.503 1.00 1.19 C ATOM 1086 OE1 GLU A 85 6.547 7.752 -11.437 1.00 1.22 O ATOM 1087 OE2 GLU A 85 4.438 7.380 -10.938 1.00 1.14 O ATOM 0 H GLU A 85 7.570 3.655 -8.918 1.00 1.05 H new ATOM 0 HA GLU A 85 6.022 5.046 -9.630 1.00 1.07 H new ATOM 0 HB2 GLU A 85 7.506 5.223 -11.665 1.00 1.17 H new ATOM 0 HB3 GLU A 85 6.598 3.926 -12.418 1.00 1.17 H new ATOM 0 HG2 GLU A 85 5.832 6.009 -13.333 1.00 1.21 H new ATOM 0 HG3 GLU A 85 4.548 5.347 -12.341 1.00 1.21 H new ATOM 1094 N ASP A 86 4.758 2.240 -10.045 1.00 1.00 N ATOM 1095 CA ASP A 86 3.520 1.469 -10.081 1.00 0.97 C ATOM 1096 C ASP A 86 2.378 2.204 -9.405 1.00 0.92 C ATOM 1097 O ASP A 86 2.567 3.266 -8.812 1.00 0.90 O ATOM 1098 CB ASP A 86 3.710 0.114 -9.401 1.00 0.93 C ATOM 1099 CG ASP A 86 3.949 -0.999 -10.389 1.00 1.00 C ATOM 1100 OD1 ASP A 86 3.082 -1.209 -11.263 1.00 1.05 O ATOM 1101 OD2 ASP A 86 5.000 -1.667 -10.295 1.00 1.01 O ATOM 0 H ASP A 86 5.571 1.722 -9.713 1.00 1.00 H new ATOM 0 HA ASP A 86 3.267 1.324 -11.131 1.00 0.97 H new ATOM 0 HB2 ASP A 86 4.553 0.172 -8.713 1.00 0.93 H new ATOM 0 HB3 ASP A 86 2.827 -0.117 -8.805 1.00 0.93 H new ATOM 1106 N VAL A 87 1.186 1.623 -9.496 1.00 0.92 N ATOM 1107 CA VAL A 87 0.004 2.216 -8.893 1.00 0.88 C ATOM 1108 C VAL A 87 -0.857 1.154 -8.235 1.00 0.83 C ATOM 1109 O VAL A 87 -0.912 0.014 -8.691 1.00 0.86 O ATOM 1110 CB VAL A 87 -0.852 2.953 -9.949 1.00 0.97 C ATOM 1111 CG1 VAL A 87 -2.159 3.420 -9.331 1.00 0.94 C ATOM 1112 CG2 VAL A 87 -0.082 4.134 -10.510 1.00 1.02 C ATOM 0 H VAL A 87 1.016 0.742 -9.982 1.00 0.92 H new ATOM 0 HA VAL A 87 0.351 2.928 -8.144 1.00 0.88 H new ATOM 0 HB VAL A 87 -1.079 2.264 -10.763 1.00 0.97 H new ATOM 0 HG11 VAL A 87 -2.753 3.938 -10.084 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.714 2.559 -8.960 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -1.949 4.099 -8.505 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -0.693 4.647 -11.253 1.00 1.02 H new ATOM 0 HG22 VAL A 87 0.164 4.824 -9.703 1.00 1.02 H new ATOM 0 HG23 VAL A 87 0.837 3.780 -10.978 1.00 1.02 H new ATOM 1122 N ILE A 88 -1.512 1.531 -7.143 1.00 0.76 N ATOM 1123 CA ILE A 88 -2.407 0.633 -6.435 1.00 0.72 C ATOM 1124 C ILE A 88 -3.704 1.386 -6.200 1.00 0.73 C ATOM 1125 O ILE A 88 -3.692 2.569 -5.857 1.00 0.72 O ATOM 1126 CB ILE A 88 -1.850 0.180 -5.064 1.00 0.62 C ATOM 1127 CG1 ILE A 88 -0.616 -0.702 -5.254 1.00 0.63 C ATOM 1128 CG2 ILE A 88 -2.908 -0.621 -4.318 1.00 0.60 C ATOM 1129 CD1 ILE A 88 -0.085 -1.304 -3.959 1.00 0.56 C ATOM 0 H ILE A 88 -1.437 2.460 -6.729 1.00 0.76 H new ATOM 0 HA ILE A 88 -2.540 -0.264 -7.039 1.00 0.72 H new ATOM 0 HB ILE A 88 -1.579 1.068 -4.494 1.00 0.62 H new ATOM 0 HG12 ILE A 88 -0.860 -1.509 -5.945 1.00 0.63 H new ATOM 0 HG13 ILE A 88 0.173 -0.111 -5.720 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -2.511 -0.938 -3.353 1.00 0.60 H new ATOM 0 HG22 ILE A 88 -3.791 -0.001 -4.162 1.00 0.60 H new ATOM 0 HG23 ILE A 88 -3.180 -1.499 -4.904 1.00 0.60 H new ATOM 0 HD11 ILE A 88 0.790 -1.917 -4.175 1.00 0.56 H new ATOM 0 HD12 ILE A 88 0.192 -0.504 -3.273 1.00 0.56 H new ATOM 0 HD13 ILE A 88 -0.857 -1.923 -3.502 1.00 0.56 H new ATOM 1141 N GLU A 89 -4.820 0.695 -6.405 1.00 0.77 N ATOM 1142 CA GLU A 89 -6.133 1.285 -6.208 1.00 0.80 C ATOM 1143 C GLU A 89 -6.724 0.743 -4.917 1.00 0.74 C ATOM 1144 O GLU A 89 -6.542 -0.429 -4.592 1.00 0.72 O ATOM 1145 CB GLU A 89 -7.063 0.927 -7.371 1.00 0.90 C ATOM 1146 CG GLU A 89 -7.544 2.115 -8.191 1.00 0.98 C ATOM 1147 CD GLU A 89 -6.514 2.590 -9.200 1.00 1.02 C ATOM 1148 OE1 GLU A 89 -6.172 1.797 -10.107 1.00 1.06 O ATOM 1149 OE2 GLU A 89 -6.048 3.746 -9.086 1.00 1.01 O ATOM 0 H GLU A 89 -4.838 -0.279 -6.709 1.00 0.77 H new ATOM 0 HA GLU A 89 -6.032 2.369 -6.159 1.00 0.80 H new ATOM 0 HB2 GLU A 89 -6.544 0.233 -8.032 1.00 0.90 H new ATOM 0 HB3 GLU A 89 -7.932 0.401 -6.975 1.00 0.90 H new ATOM 0 HG2 GLU A 89 -8.460 1.842 -8.715 1.00 0.98 H new ATOM 0 HG3 GLU A 89 -7.794 2.937 -7.520 1.00 0.98 H new ATOM 1156 N VAL A 90 -7.416 1.599 -4.178 1.00 0.73 N ATOM 1157 CA VAL A 90 -8.051 1.175 -2.938 1.00 0.69 C ATOM 1158 C VAL A 90 -9.531 1.466 -3.099 1.00 0.77 C ATOM 1159 O VAL A 90 -9.912 2.541 -3.564 1.00 0.82 O ATOM 1160 CB VAL A 90 -7.533 1.955 -1.706 1.00 0.61 C ATOM 1161 CG1 VAL A 90 -8.054 1.314 -0.424 1.00 0.59 C ATOM 1162 CG2 VAL A 90 -6.022 1.983 -1.702 1.00 0.54 C ATOM 0 H VAL A 90 -7.551 2.582 -4.412 1.00 0.73 H new ATOM 0 HA VAL A 90 -7.832 0.121 -2.766 1.00 0.69 H new ATOM 0 HB VAL A 90 -7.899 2.980 -1.759 1.00 0.61 H new ATOM 0 HG11 VAL A 90 -7.684 1.870 0.437 1.00 0.59 H new ATOM 0 HG12 VAL A 90 -9.144 1.331 -0.426 1.00 0.59 H new ATOM 0 HG13 VAL A 90 -7.707 0.282 -0.366 1.00 0.59 H new ATOM 0 HG21 VAL A 90 -5.671 2.535 -0.830 1.00 0.54 H new ATOM 0 HG22 VAL A 90 -5.639 0.963 -1.664 1.00 0.54 H new ATOM 0 HG23 VAL A 90 -5.665 2.471 -2.609 1.00 0.54 H new ATOM 1172 N TYR A 91 -10.366 0.503 -2.734 1.00 0.80 N ATOM 1173 CA TYR A 91 -11.797 0.697 -2.841 1.00 0.88 C ATOM 1174 C TYR A 91 -12.449 0.423 -1.502 1.00 0.87 C ATOM 1175 O TYR A 91 -12.085 -0.526 -0.812 1.00 0.83 O ATOM 1176 CB TYR A 91 -12.395 -0.235 -3.892 1.00 0.96 C ATOM 1177 CG TYR A 91 -11.917 0.028 -5.299 1.00 1.00 C ATOM 1178 CD1 TYR A 91 -10.651 -0.381 -5.717 1.00 0.96 C ATOM 1179 CD2 TYR A 91 -12.736 0.686 -6.217 1.00 1.08 C ATOM 1180 CE1 TYR A 91 -10.211 -0.144 -7.020 1.00 1.01 C ATOM 1181 CE2 TYR A 91 -12.304 0.928 -7.523 1.00 1.13 C ATOM 1182 CZ TYR A 91 -11.042 0.512 -7.919 1.00 1.10 C ATOM 1183 OH TYR A 91 -10.609 0.750 -9.207 1.00 1.15 O ATOM 0 H TYR A 91 -10.079 -0.405 -2.367 1.00 0.80 H new ATOM 0 HA TYR A 91 -11.982 1.728 -3.142 1.00 0.88 H new ATOM 0 HB2 TYR A 91 -12.156 -1.265 -3.626 1.00 0.96 H new ATOM 0 HB3 TYR A 91 -13.481 -0.143 -3.866 1.00 0.96 H new ATOM 0 HD1 TYR A 91 -10.000 -0.890 -5.021 1.00 0.96 H new ATOM 0 HD2 TYR A 91 -13.719 1.013 -5.913 1.00 1.08 H new ATOM 0 HE1 TYR A 91 -9.228 -0.469 -7.328 1.00 1.01 H new ATOM 0 HE2 TYR A 91 -12.951 1.437 -8.222 1.00 1.13 H new ATOM 0 HH TYR A 91 -11.311 1.217 -9.707 1.00 1.15 H new ATOM 1193 N GLN A 92 -13.397 1.276 -1.133 1.00 0.91 N ATOM 1194 CA GLN A 92 -14.129 1.115 0.114 1.00 0.92 C ATOM 1195 C GLN A 92 -14.791 -0.255 0.006 1.00 0.97 C ATOM 1196 O GLN A 92 -15.347 -0.598 -1.043 1.00 1.03 O ATOM 1197 CB GLN A 92 -15.173 2.230 0.241 1.00 0.98 C ATOM 1198 CG GLN A 92 -16.225 2.048 1.332 1.00 1.02 C ATOM 1199 CD GLN A 92 -15.653 2.005 2.735 1.00 0.97 C ATOM 1200 OE1 GLN A 92 -14.618 2.613 3.020 1.00 0.91 O ATOM 1201 NE2 GLN A 92 -16.341 1.299 3.630 1.00 1.01 N ATOM 0 H GLN A 92 -13.676 2.088 -1.683 1.00 0.91 H new ATOM 0 HA GLN A 92 -13.491 1.178 0.995 1.00 0.92 H new ATOM 0 HB2 GLN A 92 -14.651 3.169 0.422 1.00 0.98 H new ATOM 0 HB3 GLN A 92 -15.686 2.330 -0.716 1.00 0.98 H new ATOM 0 HG2 GLN A 92 -16.945 2.864 1.269 1.00 1.02 H new ATOM 0 HG3 GLN A 92 -16.772 1.124 1.145 1.00 1.02 H new ATOM 0 HE21 GLN A 92 -17.192 0.812 3.350 1.00 1.01 H new ATOM 0 HE22 GLN A 92 -16.017 1.245 4.596 1.00 1.01 H new ATOM 1210 N GLU A 93 -14.712 -1.052 1.067 1.00 0.95 N ATOM 1211 CA GLU A 93 -15.308 -2.377 1.022 1.00 1.00 C ATOM 1212 C GLU A 93 -16.808 -2.284 1.248 1.00 1.09 C ATOM 1213 O GLU A 93 -17.288 -1.481 2.052 1.00 1.10 O ATOM 1214 CB GLU A 93 -14.670 -3.307 2.059 1.00 0.97 C ATOM 1215 CG GLU A 93 -14.923 -4.784 1.764 1.00 1.02 C ATOM 1216 CD GLU A 93 -14.394 -5.209 0.396 1.00 1.02 C ATOM 1217 OE1 GLU A 93 -13.173 -5.465 0.277 1.00 0.96 O ATOM 1218 OE2 GLU A 93 -15.203 -5.274 -0.560 1.00 1.08 O ATOM 0 H GLU A 93 -14.253 -0.810 1.945 1.00 0.95 H new ATOM 0 HA GLU A 93 -15.123 -2.799 0.034 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.596 -3.126 2.090 1.00 0.97 H new ATOM 0 HB3 GLU A 93 -15.063 -3.066 3.047 1.00 0.97 H new ATOM 0 HG2 GLU A 93 -14.451 -5.391 2.537 1.00 1.02 H new ATOM 0 HG3 GLU A 93 -15.994 -4.982 1.813 1.00 1.02 H new ATOM 1225 N GLN A 94 -17.539 -3.128 0.525 1.00 1.16 N ATOM 1226 CA GLN A 94 -18.991 -3.150 0.584 1.00 1.25 C ATOM 1227 C GLN A 94 -19.490 -4.545 0.245 1.00 1.31 C ATOM 1228 O GLN A 94 -18.710 -5.405 -0.166 1.00 1.28 O ATOM 1229 CB GLN A 94 -19.527 -2.175 -0.447 1.00 1.29 C ATOM 1230 CG GLN A 94 -19.096 -2.560 -1.851 1.00 1.30 C ATOM 1231 CD GLN A 94 -19.378 -1.488 -2.864 1.00 1.33 C ATOM 1232 OE1 GLN A 94 -18.770 -0.413 -2.839 1.00 1.29 O ATOM 1233 NE2 GLN A 94 -20.305 -1.768 -3.772 1.00 1.42 N ATOM 0 H GLN A 94 -17.139 -3.813 -0.116 1.00 1.16 H new ATOM 0 HA GLN A 94 -19.327 -2.875 1.584 1.00 1.25 H new ATOM 0 HB2 GLN A 94 -20.615 -2.148 -0.393 1.00 1.29 H new ATOM 0 HB3 GLN A 94 -19.172 -1.170 -0.219 1.00 1.29 H new ATOM 0 HG2 GLN A 94 -18.028 -2.780 -1.850 1.00 1.30 H new ATOM 0 HG3 GLN A 94 -19.610 -3.475 -2.145 1.00 1.30 H new ATOM 0 HE21 GLN A 94 -20.781 -2.670 -3.753 1.00 1.42 H new ATOM 0 HE22 GLN A 94 -20.541 -1.081 -4.488 1.00 1.42 H new ATOM 1242 N THR A 95 -20.798 -4.746 0.402 1.00 1.39 N ATOM 1243 CA THR A 95 -21.455 -6.018 0.107 1.00 1.45 C ATOM 1244 C THR A 95 -22.856 -5.716 -0.417 1.00 1.54 C ATOM 1245 O THR A 95 -23.339 -4.591 -0.293 1.00 1.55 O ATOM 1246 CB THR A 95 -21.596 -6.895 1.367 1.00 1.47 C ATOM 1247 OG1 THR A 95 -22.438 -6.230 2.319 1.00 1.49 O ATOM 1248 CG2 THR A 95 -20.235 -7.154 1.998 1.00 1.39 C ATOM 0 H THR A 95 -21.436 -4.025 0.740 1.00 1.39 H new ATOM 0 HA THR A 95 -20.850 -6.557 -0.622 1.00 1.45 H new ATOM 0 HB THR A 95 -22.037 -7.849 1.078 1.00 1.47 H new ATOM 0 HG1 THR A 95 -22.530 -6.787 3.120 1.00 1.49 H new ATOM 0 HG21 THR A 95 -20.358 -7.775 2.886 1.00 1.39 H new ATOM 0 HG22 THR A 95 -19.594 -7.668 1.282 1.00 1.39 H new ATOM 0 HG23 THR A 95 -19.778 -6.205 2.279 1.00 1.39 H new ATOM 1256 N GLY A 96 -23.506 -6.719 -1.001 1.00 1.61 N ATOM 1257 CA GLY A 96 -24.850 -6.515 -1.518 1.00 1.70 C ATOM 1258 C GLY A 96 -25.845 -6.238 -0.406 1.00 1.74 C ATOM 1259 O GLY A 96 -25.459 -5.997 0.737 1.00 1.69 O ATOM 0 H GLY A 96 -23.132 -7.660 -1.125 1.00 1.61 H new ATOM 0 HA2 GLY A 96 -24.847 -5.681 -2.219 1.00 1.70 H new ATOM 0 HA3 GLY A 96 -25.163 -7.398 -2.075 1.00 1.70 H new ATOM 1263 N GLY A 97 -27.128 -6.272 -0.740 1.00 1.82 N ATOM 1264 CA GLY A 97 -28.193 -6.031 0.235 1.00 1.87 C ATOM 1265 C GLY A 97 -29.472 -6.725 -0.224 1.00 1.97 C ATOM 1266 O GLY A 97 -29.522 -7.277 -1.327 1.00 2.00 O ATOM 0 H GLY A 97 -27.462 -6.465 -1.684 1.00 1.82 H new ATOM 0 HA2 GLY A 97 -27.895 -6.405 1.214 1.00 1.87 H new ATOM 0 HA3 GLY A 97 -28.366 -4.960 0.342 1.00 1.87 H new TER 1270 GLY A 97 ATOM 1271 N ASP B2705 17.657 -6.734 12.816 1.00 4.63 N ATOM 1272 CA ASP B2705 16.496 -7.044 11.941 1.00 4.28 C ATOM 1273 C ASP B2705 15.354 -6.057 12.172 1.00 3.25 C ATOM 1274 O ASP B2705 14.385 -6.026 11.413 1.00 3.36 O ATOM 1275 CB ASP B2705 16.010 -8.476 12.193 1.00 4.99 C ATOM 1276 CG ASP B2705 15.596 -8.710 13.634 1.00 5.76 C ATOM 1277 OD1 ASP B2705 16.486 -8.964 14.474 1.00 6.16 O ATOM 1278 OD2 ASP B2705 14.384 -8.640 13.923 1.00 6.28 O ATOM 0 HA ASP B2705 16.821 -6.953 10.905 1.00 4.28 H new ATOM 0 HB2 ASP B2705 15.165 -8.689 11.538 1.00 4.99 H new ATOM 0 HB3 ASP B2705 16.803 -9.176 11.929 1.00 4.99 H new ATOM 1285 N ASN B2706 15.479 -5.248 13.222 1.00 2.76 N ATOM 1286 CA ASN B2706 14.463 -4.253 13.556 1.00 2.39 C ATOM 1287 C ASN B2706 14.778 -2.919 12.880 1.00 1.84 C ATOM 1288 O ASN B2706 14.047 -1.939 13.032 1.00 2.37 O ATOM 1289 CB ASN B2706 14.384 -4.072 15.076 1.00 2.90 C ATOM 1290 CG ASN B2706 13.065 -3.471 15.526 1.00 3.58 C ATOM 1291 OD1 ASN B2706 12.025 -3.682 14.900 1.00 3.87 O ATOM 1292 ND2 ASN B2706 13.099 -2.717 16.619 1.00 4.39 N ATOM 0 H ASN B2706 16.277 -5.263 13.858 1.00 2.76 H new ATOM 0 HA ASN B2706 13.498 -4.605 13.192 1.00 2.39 H new ATOM 0 HB2 ASN B2706 14.522 -5.038 15.561 1.00 2.90 H new ATOM 0 HB3 ASN B2706 15.202 -3.431 15.405 1.00 2.90 H new ATOM 0 HD21 ASN B2706 12.243 -2.288 16.969 1.00 4.39 H new ATOM 0 HD22 ASN B2706 13.982 -2.567 17.108 1.00 4.39 H new ATOM 1299 N GLU B2707 15.876 -2.897 12.127 1.00 1.74 N ATOM 1300 CA GLU B2707 16.315 -1.697 11.422 1.00 2.20 C ATOM 1301 C GLU B2707 15.564 -1.527 10.099 1.00 1.81 C ATOM 1302 O GLU B2707 15.756 -0.537 9.389 1.00 2.28 O ATOM 1303 CB GLU B2707 17.827 -1.754 11.162 1.00 3.18 C ATOM 1304 CG GLU B2707 18.669 -1.918 12.423 1.00 3.78 C ATOM 1305 CD GLU B2707 18.768 -3.362 12.886 1.00 3.83 C ATOM 1306 OE1 GLU B2707 19.359 -4.183 12.154 1.00 3.75 O ATOM 1307 OE2 GLU B2707 18.247 -3.673 13.978 1.00 4.39 O ATOM 0 H GLU B2707 16.482 -3.706 11.990 1.00 1.74 H new ATOM 0 HA GLU B2707 16.093 -0.837 12.054 1.00 2.20 H new ATOM 0 HB2 GLU B2707 18.038 -2.583 10.487 1.00 3.18 H new ATOM 0 HB3 GLU B2707 18.132 -0.841 10.651 1.00 3.18 H new ATOM 0 HG2 GLU B2707 19.671 -1.532 12.237 1.00 3.78 H new ATOM 0 HG3 GLU B2707 18.238 -1.315 13.222 1.00 3.78 H new ATOM 1314 N ILE B2708 14.717 -2.502 9.771 1.00 1.35 N ATOM 1315 CA ILE B2708 13.926 -2.459 8.543 1.00 1.26 C ATOM 1316 C ILE B2708 12.707 -1.557 8.734 1.00 0.89 C ATOM 1317 O ILE B2708 11.847 -1.831 9.572 1.00 1.03 O ATOM 1318 CB ILE B2708 13.467 -3.872 8.122 1.00 1.95 C ATOM 1319 CG1 ILE B2708 14.678 -4.794 7.948 1.00 2.57 C ATOM 1320 CG2 ILE B2708 12.654 -3.812 6.836 1.00 2.64 C ATOM 1321 CD1 ILE B2708 14.316 -6.258 7.793 1.00 3.48 C ATOM 0 H ILE B2708 14.561 -3.333 10.341 1.00 1.35 H new ATOM 0 HA ILE B2708 14.558 -2.055 7.752 1.00 1.26 H new ATOM 0 HB ILE B2708 12.831 -4.277 8.909 1.00 1.95 H new ATOM 0 HG12 ILE B2708 15.243 -4.475 7.072 1.00 2.57 H new ATOM 0 HG13 ILE B2708 15.335 -4.681 8.810 1.00 2.57 H new ATOM 0 HG21 ILE B2708 12.340 -4.818 6.557 1.00 2.64 H new ATOM 0 HG22 ILE B2708 11.774 -3.187 6.991 1.00 2.64 H new ATOM 0 HG23 ILE B2708 13.265 -3.388 6.039 1.00 2.64 H new ATOM 0 HD11 ILE B2708 15.225 -6.847 7.675 1.00 3.48 H new ATOM 0 HD12 ILE B2708 13.778 -6.595 8.679 1.00 3.48 H new ATOM 0 HD13 ILE B2708 13.684 -6.385 6.914 1.00 3.48 H new ATOM 1333 N GLU B2709 12.639 -0.481 7.952 1.00 0.95 N ATOM 1334 CA GLU B2709 11.536 0.471 8.059 1.00 0.87 C ATOM 1335 C GLU B2709 11.123 1.025 6.702 1.00 0.65 C ATOM 1336 O GLU B2709 11.903 1.022 5.748 1.00 0.80 O ATOM 1337 CB GLU B2709 11.921 1.630 8.975 1.00 1.45 C ATOM 1338 CG GLU B2709 13.258 2.267 8.624 1.00 2.04 C ATOM 1339 CD GLU B2709 13.572 3.478 9.479 1.00 2.40 C ATOM 1340 OE1 GLU B2709 13.143 4.593 9.109 1.00 2.91 O ATOM 1341 OE2 GLU B2709 14.247 3.315 10.515 1.00 2.74 O ATOM 0 H GLU B2709 13.332 -0.248 7.240 1.00 0.95 H new ATOM 0 HA GLU B2709 10.689 -0.072 8.478 1.00 0.87 H new ATOM 0 HB2 GLU B2709 11.142 2.392 8.930 1.00 1.45 H new ATOM 0 HB3 GLU B2709 11.958 1.272 10.004 1.00 1.45 H new ATOM 0 HG2 GLU B2709 14.050 1.528 8.743 1.00 2.04 H new ATOM 0 HG3 GLU B2709 13.251 2.560 7.574 1.00 2.04 H new ATOM 1348 N VAL B2710 9.880 1.492 6.629 1.00 0.63 N ATOM 1349 CA VAL B2710 9.343 2.073 5.406 1.00 0.56 C ATOM 1350 C VAL B2710 9.086 3.568 5.591 1.00 0.52 C ATOM 1351 O VAL B2710 8.758 4.023 6.689 1.00 0.61 O ATOM 1352 CB VAL B2710 8.039 1.372 4.966 1.00 0.75 C ATOM 1353 CG1 VAL B2710 8.290 -0.108 4.726 1.00 1.34 C ATOM 1354 CG2 VAL B2710 6.933 1.566 5.996 1.00 1.24 C ATOM 0 H VAL B2710 9.223 1.478 7.409 1.00 0.63 H new ATOM 0 HA VAL B2710 10.088 1.928 4.624 1.00 0.56 H new ATOM 0 HB VAL B2710 7.709 1.828 4.033 1.00 0.75 H new ATOM 0 HG11 VAL B2710 7.362 -0.589 4.417 1.00 1.34 H new ATOM 0 HG12 VAL B2710 9.039 -0.228 3.943 1.00 1.34 H new ATOM 0 HG13 VAL B2710 8.649 -0.570 5.646 1.00 1.34 H new ATOM 0 HG21 VAL B2710 6.028 1.061 5.658 1.00 1.24 H new ATOM 0 HG22 VAL B2710 7.248 1.146 6.951 1.00 1.24 H new ATOM 0 HG23 VAL B2710 6.731 2.630 6.117 1.00 1.24 H new ATOM 1364 N ILE B2711 9.253 4.329 4.516 1.00 0.51 N ATOM 1365 CA ILE B2711 9.035 5.770 4.559 1.00 0.51 C ATOM 1366 C ILE B2711 7.778 6.137 3.781 1.00 0.52 C ATOM 1367 O ILE B2711 7.720 5.968 2.566 1.00 0.66 O ATOM 1368 CB ILE B2711 10.242 6.538 3.973 1.00 0.66 C ATOM 1369 CG1 ILE B2711 11.545 6.057 4.616 1.00 0.98 C ATOM 1370 CG2 ILE B2711 10.069 8.038 4.178 1.00 0.83 C ATOM 1371 CD1 ILE B2711 12.785 6.431 3.833 1.00 1.65 C ATOM 0 H ILE B2711 9.539 3.972 3.604 1.00 0.51 H new ATOM 0 HA ILE B2711 8.916 6.055 5.604 1.00 0.51 H new ATOM 0 HB ILE B2711 10.291 6.339 2.902 1.00 0.66 H new ATOM 0 HG12 ILE B2711 11.620 6.475 5.620 1.00 0.98 H new ATOM 0 HG13 ILE B2711 11.508 4.973 4.724 1.00 0.98 H new ATOM 0 HG21 ILE B2711 10.927 8.564 3.760 1.00 0.83 H new ATOM 0 HG22 ILE B2711 9.160 8.371 3.677 1.00 0.83 H new ATOM 0 HG23 ILE B2711 9.996 8.253 5.244 1.00 0.83 H new ATOM 0 HD11 ILE B2711 13.669 6.057 4.350 1.00 1.65 H new ATOM 0 HD12 ILE B2711 12.733 5.990 2.837 1.00 1.65 H new ATOM 0 HD13 ILE B2711 12.848 7.516 3.747 1.00 1.65 H new ATOM 1383 N ILE B2712 6.770 6.642 4.485 1.00 0.60 N ATOM 1384 CA ILE B2712 5.518 7.012 3.841 1.00 0.76 C ATOM 1385 C ILE B2712 5.119 8.456 4.146 1.00 0.66 C ATOM 1386 O ILE B2712 4.623 8.761 5.230 1.00 0.92 O ATOM 1387 CB ILE B2712 4.363 6.068 4.252 1.00 1.23 C ATOM 1388 CG1 ILE B2712 4.294 5.915 5.774 1.00 0.99 C ATOM 1389 CG2 ILE B2712 4.532 4.708 3.594 1.00 1.76 C ATOM 1390 CD1 ILE B2712 2.908 5.592 6.284 1.00 1.49 C ATOM 0 H ILE B2712 6.796 6.803 5.492 1.00 0.60 H new ATOM 0 HA ILE B2712 5.692 6.917 2.769 1.00 0.76 H new ATOM 0 HB ILE B2712 3.427 6.511 3.912 1.00 1.23 H new ATOM 0 HG12 ILE B2712 4.980 5.126 6.084 1.00 0.99 H new ATOM 0 HG13 ILE B2712 4.638 6.838 6.240 1.00 0.99 H new ATOM 0 HG21 ILE B2712 3.712 4.055 3.893 1.00 1.76 H new ATOM 0 HG22 ILE B2712 4.527 4.825 2.510 1.00 1.76 H new ATOM 0 HG23 ILE B2712 5.479 4.268 3.907 1.00 1.76 H new ATOM 0 HD11 ILE B2712 2.933 5.498 7.370 1.00 1.49 H new ATOM 0 HD12 ILE B2712 2.222 6.392 6.005 1.00 1.49 H new ATOM 0 HD13 ILE B2712 2.569 4.653 5.846 1.00 1.49 H new ATOM 1402 N VAL B2713 5.339 9.339 3.174 1.00 0.48 N ATOM 1403 CA VAL B2713 4.993 10.727 3.300 1.00 0.53 C ATOM 1404 C VAL B2713 4.790 11.357 1.929 1.00 0.46 C ATOM 1405 O VAL B2713 5.721 11.458 1.128 1.00 0.73 O ATOM 1406 CB VAL B2713 6.036 11.561 4.089 1.00 0.90 C ATOM 1407 CG1 VAL B2713 5.700 11.600 5.573 1.00 1.67 C ATOM 1408 CG2 VAL B2713 7.449 11.030 3.873 1.00 0.89 C ATOM 0 H VAL B2713 5.764 9.097 2.279 1.00 0.48 H new ATOM 0 HA VAL B2713 4.065 10.745 3.871 1.00 0.53 H new ATOM 0 HB VAL B2713 5.996 12.580 3.704 1.00 0.90 H new ATOM 0 HG11 VAL B2713 6.449 12.192 6.100 1.00 1.67 H new ATOM 0 HG12 VAL B2713 4.717 12.051 5.712 1.00 1.67 H new ATOM 0 HG13 VAL B2713 5.693 10.585 5.971 1.00 1.67 H new ATOM 0 HG21 VAL B2713 8.156 11.636 4.439 1.00 0.89 H new ATOM 0 HG22 VAL B2713 7.505 9.996 4.212 1.00 0.89 H new ATOM 0 HG23 VAL B2713 7.698 11.078 2.813 1.00 0.89 H new ATOM 1418 N TRP B2714 3.555 11.762 1.665 1.00 0.61 N ATOM 1419 CA TRP B2714 3.203 12.393 0.402 1.00 0.78 C ATOM 1420 C TRP B2714 3.348 13.904 0.480 1.00 0.59 C ATOM 1421 O TRP B2714 3.516 14.470 1.560 1.00 0.64 O ATOM 1422 CB TRP B2714 1.768 12.044 0.021 1.00 1.23 C ATOM 1423 CG TRP B2714 1.425 12.403 -1.398 1.00 1.60 C ATOM 1424 CD1 TRP B2714 2.049 11.973 -2.531 1.00 2.29 C ATOM 1425 CD2 TRP B2714 0.390 13.288 -1.826 1.00 1.43 C ATOM 1426 NE1 TRP B2714 1.461 12.533 -3.638 1.00 2.54 N ATOM 1427 CE2 TRP B2714 0.439 13.344 -3.232 1.00 1.99 C ATOM 1428 CE3 TRP B2714 -0.576 14.034 -1.157 1.00 1.04 C ATOM 1429 CZ2 TRP B2714 -0.443 14.120 -3.976 1.00 2.02 C ATOM 1430 CZ3 TRP B2714 -1.449 14.800 -1.896 1.00 1.13 C ATOM 1431 CH2 TRP B2714 -1.379 14.841 -3.289 1.00 1.52 C ATOM 0 H TRP B2714 2.775 11.663 2.315 1.00 0.61 H new ATOM 0 HA TRP B2714 3.888 12.017 -0.358 1.00 0.78 H new ATOM 0 HB2 TRP B2714 1.611 10.975 0.166 1.00 1.23 H new ATOM 0 HB3 TRP B2714 1.085 12.561 0.695 1.00 1.23 H new ATOM 0 HD1 TRP B2714 2.885 11.290 -2.554 1.00 2.29 H new ATOM 0 HE1 TRP B2714 1.741 12.370 -4.605 1.00 2.54 H new ATOM 0 HE3 TRP B2714 -0.639 14.012 -0.079 1.00 1.04 H new ATOM 0 HZ2 TRP B2714 -0.390 14.152 -5.054 1.00 2.02 H new ATOM 0 HZ3 TRP B2714 -2.204 15.381 -1.387 1.00 1.13 H new ATOM 0 HH2 TRP B2714 -2.079 15.455 -3.836 1.00 1.52 H new ATOM 1442 N GLU B2715 3.279 14.550 -0.675 1.00 0.74 N ATOM 1443 CA GLU B2715 3.345 15.992 -0.739 1.00 0.90 C ATOM 1444 C GLU B2715 2.243 16.519 -1.655 1.00 1.00 C ATOM 1445 O GLU B2715 2.073 16.030 -2.772 1.00 1.22 O ATOM 1446 CB GLU B2715 4.718 16.467 -1.225 1.00 1.30 C ATOM 1447 CG GLU B2715 5.753 16.601 -0.117 1.00 1.65 C ATOM 1448 CD GLU B2715 5.493 17.788 0.791 1.00 2.28 C ATOM 1449 OE1 GLU B2715 5.884 18.914 0.422 1.00 2.78 O ATOM 1450 OE2 GLU B2715 4.900 17.590 1.873 1.00 2.86 O ATOM 0 H GLU B2715 3.177 14.091 -1.580 1.00 0.74 H new ATOM 0 HA GLU B2715 3.197 16.387 0.266 1.00 0.90 H new ATOM 0 HB2 GLU B2715 5.090 15.767 -1.973 1.00 1.30 H new ATOM 0 HB3 GLU B2715 4.603 17.431 -1.720 1.00 1.30 H new ATOM 0 HG2 GLU B2715 5.760 15.688 0.479 1.00 1.65 H new ATOM 0 HG3 GLU B2715 6.743 16.700 -0.561 1.00 1.65 H new ATOM 1457 N LYS B2716 1.500 17.517 -1.184 1.00 1.01 N ATOM 1458 CA LYS B2716 0.405 18.091 -1.964 1.00 1.14 C ATOM 1459 C LYS B2716 0.909 19.135 -2.951 1.00 1.54 C ATOM 1460 O LYS B2716 1.838 19.889 -2.656 1.00 1.82 O ATOM 1461 CB LYS B2716 -0.648 18.706 -1.040 1.00 1.14 C ATOM 1462 CG LYS B2716 -1.619 17.683 -0.469 1.00 1.00 C ATOM 1463 CD LYS B2716 -2.950 17.674 -1.215 1.00 1.13 C ATOM 1464 CE LYS B2716 -3.809 18.870 -0.835 1.00 1.91 C ATOM 1465 NZ LYS B2716 -5.144 18.823 -1.493 1.00 2.12 N ATOM 0 H LYS B2716 1.635 17.945 -0.268 1.00 1.01 H new ATOM 0 HA LYS B2716 -0.051 17.282 -2.534 1.00 1.14 H new ATOM 0 HB2 LYS B2716 -0.146 19.218 -0.219 1.00 1.14 H new ATOM 0 HB3 LYS B2716 -1.209 19.461 -1.591 1.00 1.14 H new ATOM 0 HG2 LYS B2716 -1.170 16.691 -0.518 1.00 1.00 H new ATOM 0 HG3 LYS B2716 -1.796 17.901 0.584 1.00 1.00 H new ATOM 0 HD2 LYS B2716 -2.766 17.683 -2.289 1.00 1.13 H new ATOM 0 HD3 LYS B2716 -3.488 16.753 -0.991 1.00 1.13 H new ATOM 0 HE2 LYS B2716 -3.938 18.896 0.247 1.00 1.91 H new ATOM 0 HE3 LYS B2716 -3.297 19.790 -1.117 1.00 1.91 H new ATOM 0 HZ1 LYS B2716 -5.700 19.655 -1.209 1.00 2.12 H new ATOM 0 HZ2 LYS B2716 -5.022 18.824 -2.526 1.00 2.12 H new ATOM 0 HZ3 LYS B2716 -5.643 17.958 -1.204 1.00 2.12 H new ATOM 1479 N LYS B2717 0.287 19.164 -4.122 1.00 1.64 N ATOM 1480 CA LYS B2717 0.662 20.101 -5.169 1.00 2.06 C ATOM 1481 C LYS B2717 -0.388 21.198 -5.324 1.00 2.07 C ATOM 1482 O LYS B2717 -1.454 20.918 -5.914 1.00 1.91 O ATOM 1483 CB LYS B2717 0.852 19.357 -6.491 1.00 2.26 C ATOM 1484 CG LYS B2717 2.300 19.000 -6.789 1.00 2.77 C ATOM 1485 CD LYS B2717 3.148 20.244 -6.996 1.00 3.42 C ATOM 1486 CE LYS B2717 4.550 19.890 -7.458 1.00 4.08 C ATOM 1487 NZ LYS B2717 5.400 21.102 -7.620 1.00 4.44 N ATOM 1488 OXT LYS B2717 -0.134 22.327 -4.857 1.00 2.51 O ATOM 0 H LYS B2717 -0.484 18.544 -4.370 1.00 1.64 H new ATOM 0 HA LYS B2717 1.603 20.573 -4.887 1.00 2.06 H new ATOM 0 HB2 LYS B2717 0.258 18.443 -6.472 1.00 2.26 H new ATOM 0 HB3 LYS B2717 0.464 19.972 -7.303 1.00 2.26 H new ATOM 0 HG2 LYS B2717 2.708 18.413 -5.966 1.00 2.77 H new ATOM 0 HG3 LYS B2717 2.346 18.374 -7.680 1.00 2.77 H new ATOM 0 HD2 LYS B2717 2.673 20.891 -7.734 1.00 3.42 H new ATOM 0 HD3 LYS B2717 3.202 20.808 -6.065 1.00 3.42 H new ATOM 0 HE2 LYS B2717 5.011 19.216 -6.736 1.00 4.08 H new ATOM 0 HE3 LYS B2717 4.496 19.354 -8.406 1.00 4.08 H new ATOM 0 HZ1 LYS B2717 6.350 20.820 -7.936 1.00 4.44 H new ATOM 0 HZ2 LYS B2717 4.973 21.734 -8.327 1.00 4.44 H new ATOM 0 HZ3 LYS B2717 5.472 21.600 -6.710 1.00 4.44 H new TER 1502 LYS B2717