USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 817 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 52 GLN : amide:sc= 0.216 K(o=0.22,f=-0.37) USER MOD Set 1.2: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -164:sc= -0.66 (180deg=-0.664) USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 18:sc= 1.23 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.2!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 165:sc= -0.255 USER MOD Single : A 76 THR OG1 : rot 6:sc= 0.16 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -150:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.754 K(o=-0.75,f=-3.7!) USER MOD Single : A 87 LYS NZ :NH3+ -106:sc= -0.767 (180deg=-1.93!) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 8:sc= 1.18 USER MOD Single : A 95 CYS SG : rot -86:sc= 0.465 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.22 X(o=-1.2,f=-0.8) USER MOD Single : A 105 SER OG : rot -17:sc= 0.394 USER MOD Single : A 108 HIS : no HD1:sc= -0.491 K(o=-0.49,f=-5.3!) USER MOD Single : A 110 GLN : amide:sc= -7.87! C(o=-7.9!,f=-19!) USER MOD Single : A 111 LYS NZ :NH3+ 138:sc= -0.8 (180deg=-1.54) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -117:sc= 0.14 (180deg=0) USER MOD Single : A 127 SER OG : rot 36:sc= 0.0572 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -54:sc= 0.42 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 -11.300 -6.571 -22.006 1.00 0.00 N ATOM 2 CA GLY A 31 -10.781 -5.996 -20.779 1.00 0.00 C ATOM 3 C GLY A 31 -10.668 -4.486 -20.849 1.00 0.00 C ATOM 4 O GLY A 31 -11.156 -3.863 -21.791 1.00 0.00 O ATOM 0 HA2 GLY A 31 -11.432 -6.270 -19.949 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.800 -6.421 -20.569 1.00 0.00 H new ATOM 8 N SER A 32 -10.022 -3.895 -19.848 1.00 0.00 N ATOM 9 CA SER A 32 -9.851 -2.448 -19.797 1.00 0.00 C ATOM 10 C SER A 32 -8.463 -2.048 -20.287 1.00 0.00 C ATOM 11 O SER A 32 -7.450 -2.467 -19.726 1.00 0.00 O ATOM 12 CB SER A 32 -10.068 -1.938 -18.371 1.00 0.00 C ATOM 13 OG SER A 32 -9.587 -0.613 -18.225 1.00 0.00 O ATOM 0 H SER A 32 -9.609 -4.396 -19.062 1.00 0.00 H new ATOM 0 HA SER A 32 -10.594 -1.995 -20.454 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.130 -1.972 -18.127 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.558 -2.593 -17.665 1.00 0.00 H new ATOM 0 HG SER A 32 -9.739 -0.309 -17.306 1.00 0.00 H new ATOM 19 N SER A 33 -8.425 -1.234 -21.337 1.00 0.00 N ATOM 20 CA SER A 33 -7.161 -0.779 -21.906 1.00 0.00 C ATOM 21 C SER A 33 -6.753 0.567 -21.315 1.00 0.00 C ATOM 22 O SER A 33 -7.600 1.368 -20.924 1.00 0.00 O ATOM 23 CB SER A 33 -7.274 -0.668 -23.428 1.00 0.00 C ATOM 24 OG SER A 33 -7.575 -1.924 -24.010 1.00 0.00 O ATOM 0 H SER A 33 -9.254 -0.876 -21.811 1.00 0.00 H new ATOM 0 HA SER A 33 -6.394 -1.512 -21.658 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.051 0.052 -23.687 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.338 -0.288 -23.839 1.00 0.00 H new ATOM 0 HG SER A 33 -7.644 -1.826 -24.983 1.00 0.00 H new ATOM 30 N GLY A 34 -5.446 0.807 -21.254 1.00 0.00 N ATOM 31 CA GLY A 34 -4.947 2.056 -20.710 1.00 0.00 C ATOM 32 C GLY A 34 -3.434 2.141 -20.748 1.00 0.00 C ATOM 33 O GLY A 34 -2.749 1.494 -19.955 1.00 0.00 O ATOM 0 H GLY A 34 -4.725 0.159 -21.571 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.369 2.888 -21.273 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.288 2.162 -19.680 1.00 0.00 H new ATOM 37 N SER A 35 -2.910 2.939 -21.673 1.00 0.00 N ATOM 38 CA SER A 35 -1.468 3.102 -21.815 1.00 0.00 C ATOM 39 C SER A 35 -0.881 3.822 -20.604 1.00 0.00 C ATOM 40 O SER A 35 -1.607 4.224 -19.695 1.00 0.00 O ATOM 41 CB SER A 35 -1.145 3.880 -23.092 1.00 0.00 C ATOM 42 OG SER A 35 -1.649 3.214 -24.236 1.00 0.00 O ATOM 0 H SER A 35 -3.463 3.483 -22.335 1.00 0.00 H new ATOM 0 HA SER A 35 -1.019 2.111 -21.879 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.575 4.880 -23.031 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.066 4.002 -23.184 1.00 0.00 H new ATOM 0 HG SER A 35 -1.431 3.732 -25.039 1.00 0.00 H new ATOM 48 N SER A 36 0.439 3.981 -20.601 1.00 0.00 N ATOM 49 CA SER A 36 1.125 4.649 -19.502 1.00 0.00 C ATOM 50 C SER A 36 2.541 5.049 -19.908 1.00 0.00 C ATOM 51 O SER A 36 3.137 4.445 -20.799 1.00 0.00 O ATOM 52 CB SER A 36 1.174 3.738 -18.274 1.00 0.00 C ATOM 53 OG SER A 36 -0.063 3.749 -17.582 1.00 0.00 O ATOM 0 H SER A 36 1.054 3.656 -21.347 1.00 0.00 H new ATOM 0 HA SER A 36 0.567 5.552 -19.254 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.413 2.720 -18.582 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.971 4.065 -17.606 1.00 0.00 H new ATOM 0 HG SER A 36 -0.763 4.104 -18.169 1.00 0.00 H new ATOM 59 N GLY A 37 3.073 6.073 -19.247 1.00 0.00 N ATOM 60 CA GLY A 37 4.413 6.537 -19.553 1.00 0.00 C ATOM 61 C GLY A 37 5.306 6.576 -18.329 1.00 0.00 C ATOM 62 O GLY A 37 5.963 5.589 -17.998 1.00 0.00 O ATOM 0 H GLY A 37 2.600 6.589 -18.505 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.858 5.883 -20.303 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.358 7.534 -19.991 1.00 0.00 H new ATOM 66 N VAL A 38 5.332 7.721 -17.654 1.00 0.00 N ATOM 67 CA VAL A 38 6.152 7.886 -16.460 1.00 0.00 C ATOM 68 C VAL A 38 5.287 8.138 -15.230 1.00 0.00 C ATOM 69 O VAL A 38 4.257 8.810 -15.291 1.00 0.00 O ATOM 70 CB VAL A 38 7.149 9.050 -16.619 1.00 0.00 C ATOM 71 CG1 VAL A 38 8.138 8.756 -17.737 1.00 0.00 C ATOM 72 CG2 VAL A 38 6.409 10.353 -16.880 1.00 0.00 C ATOM 0 H VAL A 38 4.794 8.548 -17.914 1.00 0.00 H new ATOM 0 HA VAL A 38 6.707 6.957 -16.327 1.00 0.00 H new ATOM 0 HB VAL A 38 7.708 9.156 -15.690 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.834 9.589 -17.835 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.691 7.846 -17.504 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.598 8.622 -18.674 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.129 11.164 -16.990 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.823 10.262 -17.794 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.745 10.568 -16.043 1.00 0.00 H new ATOM 82 N PRO A 39 5.713 7.587 -14.084 1.00 0.00 N ATOM 83 CA PRO A 39 4.993 7.738 -12.816 1.00 0.00 C ATOM 84 C PRO A 39 5.067 9.161 -12.274 1.00 0.00 C ATOM 85 O PRO A 39 6.123 9.612 -11.831 1.00 0.00 O ATOM 86 CB PRO A 39 5.717 6.770 -11.878 1.00 0.00 C ATOM 87 CG PRO A 39 7.089 6.646 -12.447 1.00 0.00 C ATOM 88 CD PRO A 39 6.932 6.773 -13.937 1.00 0.00 C ATOM 0 HA PRO A 39 3.929 7.530 -12.925 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.745 7.153 -10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.215 5.803 -11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.745 7.423 -12.056 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.536 5.688 -12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.796 7.257 -14.392 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.825 5.799 -14.414 1.00 0.00 H new ATOM 96 N MET A 40 3.940 9.864 -12.311 1.00 0.00 N ATOM 97 CA MET A 40 3.878 11.236 -11.821 1.00 0.00 C ATOM 98 C MET A 40 2.924 11.348 -10.636 1.00 0.00 C ATOM 99 O MET A 40 1.783 10.891 -10.699 1.00 0.00 O ATOM 100 CB MET A 40 3.432 12.180 -12.940 1.00 0.00 C ATOM 101 CG MET A 40 2.067 11.839 -13.515 1.00 0.00 C ATOM 102 SD MET A 40 1.438 13.121 -14.616 1.00 0.00 S ATOM 103 CE MET A 40 0.300 12.172 -15.624 1.00 0.00 C ATOM 0 H MET A 40 3.057 9.506 -12.675 1.00 0.00 H new ATOM 0 HA MET A 40 4.876 11.522 -11.490 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.411 13.200 -12.557 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.171 12.155 -13.741 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.131 10.897 -14.060 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.361 11.688 -12.699 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.171 12.828 -16.357 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.844 11.382 -16.141 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.466 11.729 -14.988 1.00 0.00 H new ATOM 113 N LYS A 41 3.400 11.957 -9.555 1.00 0.00 N ATOM 114 CA LYS A 41 2.590 12.129 -8.355 1.00 0.00 C ATOM 115 C LYS A 41 2.240 13.599 -8.142 1.00 0.00 C ATOM 116 O LYS A 41 2.553 14.448 -8.976 1.00 0.00 O ATOM 117 CB LYS A 41 3.333 11.588 -7.131 1.00 0.00 C ATOM 118 CG LYS A 41 4.477 12.476 -6.673 1.00 0.00 C ATOM 119 CD LYS A 41 5.647 12.422 -7.641 1.00 0.00 C ATOM 120 CE LYS A 41 6.972 12.642 -6.927 1.00 0.00 C ATOM 121 NZ LYS A 41 7.206 14.081 -6.623 1.00 0.00 N ATOM 0 H LYS A 41 4.343 12.340 -9.486 1.00 0.00 H new ATOM 0 HA LYS A 41 1.665 11.568 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.626 11.469 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.723 10.597 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.127 13.504 -6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.808 12.163 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.660 11.455 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.518 13.181 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.985 12.068 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.786 12.265 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.119 14.189 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.219 14.625 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.443 14.435 -6.011 1.00 0.00 H new ATOM 135 N ASP A 42 1.592 13.891 -7.020 1.00 0.00 N ATOM 136 CA ASP A 42 1.202 15.258 -6.695 1.00 0.00 C ATOM 137 C ASP A 42 2.101 15.836 -5.607 1.00 0.00 C ATOM 138 O ASP A 42 2.727 15.096 -4.847 1.00 0.00 O ATOM 139 CB ASP A 42 -0.259 15.301 -6.244 1.00 0.00 C ATOM 140 CG ASP A 42 -1.227 15.207 -7.406 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.824 15.535 -8.542 1.00 0.00 O ATOM 142 OD2 ASP A 42 -2.388 14.806 -7.181 1.00 0.00 O ATOM 0 H ASP A 42 1.325 13.199 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 42 1.314 15.865 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.447 14.480 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.440 16.227 -5.698 1.00 0.00 H new ATOM 147 N HIS A 43 2.161 17.162 -5.538 1.00 0.00 N ATOM 148 CA HIS A 43 2.984 17.839 -4.543 1.00 0.00 C ATOM 149 C HIS A 43 2.424 17.628 -3.139 1.00 0.00 C ATOM 150 O HIS A 43 3.176 17.506 -2.172 1.00 0.00 O ATOM 151 CB HIS A 43 3.067 19.335 -4.851 1.00 0.00 C ATOM 152 CG HIS A 43 1.857 20.104 -4.420 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.768 20.315 -5.240 1.00 0.00 N ATOM 154 CD2 HIS A 43 1.566 20.712 -3.247 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.140 21.021 -4.590 1.00 0.00 C ATOM 156 NE2 HIS A 43 0.320 21.275 -3.378 1.00 0.00 N ATOM 0 H HIS A 43 1.649 17.789 -6.159 1.00 0.00 H new ATOM 0 HA HIS A 43 3.985 17.410 -4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.946 19.751 -4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.210 19.469 -5.923 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.196 20.748 -2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.095 21.337 -4.983 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.171 21.803 -2.657 1.00 0.00 H new ATOM 165 N ASP A 44 1.100 17.586 -3.036 1.00 0.00 N ATOM 166 CA ASP A 44 0.439 17.389 -1.751 1.00 0.00 C ATOM 167 C ASP A 44 -0.188 16.001 -1.670 1.00 0.00 C ATOM 168 O ASP A 44 -1.271 15.830 -1.113 1.00 0.00 O ATOM 169 CB ASP A 44 -0.633 18.459 -1.536 1.00 0.00 C ATOM 170 CG ASP A 44 -0.871 18.752 -0.068 1.00 0.00 C ATOM 171 OD1 ASP A 44 -0.616 17.857 0.765 1.00 0.00 O ATOM 172 OD2 ASP A 44 -1.313 19.876 0.249 1.00 0.00 O ATOM 0 H ASP A 44 0.463 17.686 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 44 1.191 17.475 -0.966 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.334 19.376 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.566 18.132 -1.994 1.00 0.00 H new ATOM 177 N ALA A 45 0.502 15.012 -2.230 1.00 0.00 N ATOM 178 CA ALA A 45 0.014 13.639 -2.219 1.00 0.00 C ATOM 179 C ALA A 45 0.167 13.012 -0.837 1.00 0.00 C ATOM 180 O ALA A 45 0.633 13.661 0.100 1.00 0.00 O ATOM 181 CB ALA A 45 0.750 12.809 -3.261 1.00 0.00 C ATOM 0 H ALA A 45 1.400 15.137 -2.697 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.047 13.655 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.375 11.786 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.585 13.237 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.817 12.809 -3.039 1.00 0.00 H new ATOM 187 N ILE A 46 -0.229 11.750 -0.718 1.00 0.00 N ATOM 188 CA ILE A 46 -0.136 11.036 0.549 1.00 0.00 C ATOM 189 C ILE A 46 0.339 9.603 0.340 1.00 0.00 C ATOM 190 O ILE A 46 0.154 9.026 -0.732 1.00 0.00 O ATOM 191 CB ILE A 46 -1.489 11.015 1.284 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.071 12.427 1.369 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.327 10.419 2.675 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.521 12.458 1.799 1.00 0.00 C ATOM 0 H ILE A 46 -0.618 11.200 -1.484 1.00 0.00 H new ATOM 0 HA ILE A 46 0.591 11.571 1.159 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.182 10.390 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.479 13.013 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.979 12.909 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.292 10.411 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.952 9.399 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.621 11.020 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.867 13.491 1.837 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.125 11.899 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.617 12.006 2.786 1.00 0.00 H new ATOM 206 N LYS A 47 0.952 9.031 1.371 1.00 0.00 N ATOM 207 CA LYS A 47 1.452 7.663 1.303 1.00 0.00 C ATOM 208 C LYS A 47 0.556 6.717 2.096 1.00 0.00 C ATOM 209 O LYS A 47 0.347 6.902 3.295 1.00 0.00 O ATOM 210 CB LYS A 47 2.884 7.594 1.837 1.00 0.00 C ATOM 211 CG LYS A 47 3.472 6.194 1.823 1.00 0.00 C ATOM 212 CD LYS A 47 4.183 5.901 0.513 1.00 0.00 C ATOM 213 CE LYS A 47 5.332 4.924 0.709 1.00 0.00 C ATOM 214 NZ LYS A 47 5.738 4.281 -0.571 1.00 0.00 N ATOM 0 H LYS A 47 1.115 9.495 2.265 1.00 0.00 H new ATOM 0 HA LYS A 47 1.446 7.352 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.517 8.251 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.901 7.976 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.173 6.084 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.678 5.463 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.472 5.490 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.563 6.830 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.185 5.449 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.037 4.156 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.320 3.443 -0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.890 3.995 -1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.289 4.956 -1.139 1.00 0.00 H new ATOM 228 N LEU A 48 0.030 5.702 1.419 1.00 0.00 N ATOM 229 CA LEU A 48 -0.842 4.725 2.061 1.00 0.00 C ATOM 230 C LEU A 48 -0.052 3.499 2.507 1.00 0.00 C ATOM 231 O LEU A 48 0.771 2.971 1.758 1.00 0.00 O ATOM 232 CB LEU A 48 -1.960 4.304 1.105 1.00 0.00 C ATOM 233 CG LEU A 48 -3.070 5.331 0.877 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.059 4.826 -0.162 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.781 5.646 2.185 1.00 0.00 C ATOM 0 H LEU A 48 0.192 5.534 0.426 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.281 5.192 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.514 4.061 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.412 3.389 1.487 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.618 6.249 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.842 5.570 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.540 4.652 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.506 3.894 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.568 6.378 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.220 4.734 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.065 6.052 2.900 1.00 0.00 H new ATOM 247 N PHE A 49 -0.308 3.049 3.731 1.00 0.00 N ATOM 248 CA PHE A 49 0.379 1.884 4.277 1.00 0.00 C ATOM 249 C PHE A 49 -0.618 0.792 4.653 1.00 0.00 C ATOM 250 O PHE A 49 -1.516 1.009 5.466 1.00 0.00 O ATOM 251 CB PHE A 49 1.205 2.281 5.502 1.00 0.00 C ATOM 252 CG PHE A 49 1.549 1.122 6.394 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.462 0.163 5.985 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.959 0.992 7.641 1.00 0.00 C ATOM 255 CE1 PHE A 49 2.779 -0.904 6.803 1.00 0.00 C ATOM 256 CE2 PHE A 49 1.273 -0.074 8.464 1.00 0.00 C ATOM 257 CZ PHE A 49 2.185 -1.022 8.045 1.00 0.00 C ATOM 0 H PHE A 49 -0.986 3.473 4.364 1.00 0.00 H new ATOM 0 HA PHE A 49 1.046 1.493 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.126 2.759 5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.651 3.022 6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.931 0.251 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.246 1.732 7.974 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.491 -1.646 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.805 -0.165 9.433 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.434 -1.854 8.687 1.00 0.00 H new ATOM 267 N VAL A 50 -0.453 -0.383 4.054 1.00 0.00 N ATOM 268 CA VAL A 50 -1.337 -1.510 4.325 1.00 0.00 C ATOM 269 C VAL A 50 -0.663 -2.529 5.238 1.00 0.00 C ATOM 270 O VAL A 50 0.481 -2.919 5.013 1.00 0.00 O ATOM 271 CB VAL A 50 -1.769 -2.211 3.023 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.911 -3.179 3.291 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.164 -1.184 1.973 1.00 0.00 C ATOM 0 H VAL A 50 0.285 -0.579 3.378 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.220 -1.108 4.822 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.924 -2.783 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.203 -3.665 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.588 -3.934 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.763 -2.633 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.467 -1.696 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.995 -0.584 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.314 -0.535 1.761 1.00 0.00 H new ATOM 283 N GLY A 51 -1.384 -2.958 6.270 1.00 0.00 N ATOM 284 CA GLY A 51 -0.840 -3.928 7.202 1.00 0.00 C ATOM 285 C GLY A 51 -1.741 -5.135 7.373 1.00 0.00 C ATOM 286 O GLY A 51 -1.826 -5.704 8.461 1.00 0.00 O ATOM 0 H GLY A 51 -2.334 -2.651 6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.139 -4.256 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.688 -3.451 8.170 1.00 0.00 H new ATOM 290 N GLN A 52 -2.415 -5.526 6.297 1.00 0.00 N ATOM 291 CA GLN A 52 -3.316 -6.672 6.334 1.00 0.00 C ATOM 292 C GLN A 52 -3.100 -7.574 5.124 1.00 0.00 C ATOM 293 O GLN A 52 -4.056 -8.082 4.538 1.00 0.00 O ATOM 294 CB GLN A 52 -4.771 -6.203 6.382 1.00 0.00 C ATOM 295 CG GLN A 52 -5.187 -5.650 7.735 1.00 0.00 C ATOM 296 CD GLN A 52 -5.209 -6.710 8.818 1.00 0.00 C ATOM 297 OE1 GLN A 52 -4.462 -6.634 9.794 1.00 0.00 O ATOM 298 NE2 GLN A 52 -6.068 -7.709 8.652 1.00 0.00 N ATOM 0 H GLN A 52 -2.354 -5.066 5.388 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.097 -7.245 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.922 -5.435 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.422 -7.038 6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.500 -4.855 8.025 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.177 -5.202 7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.669 -7.733 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.127 -8.452 9.348 1.00 0.00 H new ATOM 307 N ILE A 53 -1.838 -7.768 4.754 1.00 0.00 N ATOM 308 CA ILE A 53 -1.497 -8.609 3.613 1.00 0.00 C ATOM 309 C ILE A 53 -0.906 -9.939 4.068 1.00 0.00 C ATOM 310 O ILE A 53 0.181 -9.999 4.643 1.00 0.00 O ATOM 311 CB ILE A 53 -0.495 -7.908 2.677 1.00 0.00 C ATOM 312 CG1 ILE A 53 -1.043 -6.550 2.232 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.196 -8.785 1.470 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.018 -5.619 1.689 1.00 0.00 C ATOM 0 H ILE A 53 -1.035 -7.354 5.228 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.423 -8.793 3.068 1.00 0.00 H new ATOM 0 HB ILE A 53 0.434 -7.743 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.803 -6.707 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.536 -6.071 3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.514 -8.276 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.231 -9.730 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.119 -8.977 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.442 -4.676 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.766 -5.432 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.495 -6.077 0.823 1.00 0.00 H new ATOM 326 N PRO A 54 -1.637 -11.032 3.805 1.00 0.00 N ATOM 327 CA PRO A 54 -1.204 -12.382 4.177 1.00 0.00 C ATOM 328 C PRO A 54 -0.015 -12.858 3.349 1.00 0.00 C ATOM 329 O PRO A 54 0.481 -12.134 2.486 1.00 0.00 O ATOM 330 CB PRO A 54 -2.437 -13.242 3.886 1.00 0.00 C ATOM 331 CG PRO A 54 -3.185 -12.491 2.841 1.00 0.00 C ATOM 332 CD PRO A 54 -2.943 -11.034 3.124 1.00 0.00 C ATOM 0 HA PRO A 54 -0.867 -12.432 5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.154 -14.234 3.534 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.042 -13.382 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.836 -12.758 1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.249 -12.724 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.919 -10.445 2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.726 -10.611 3.754 1.00 0.00 H new ATOM 340 N ARG A 55 0.436 -14.079 3.618 1.00 0.00 N ATOM 341 CA ARG A 55 1.567 -14.651 2.898 1.00 0.00 C ATOM 342 C ARG A 55 1.090 -15.516 1.735 1.00 0.00 C ATOM 343 O ARG A 55 0.414 -16.525 1.935 1.00 0.00 O ATOM 344 CB ARG A 55 2.434 -15.483 3.845 1.00 0.00 C ATOM 345 CG ARG A 55 3.825 -15.770 3.304 1.00 0.00 C ATOM 346 CD ARG A 55 4.371 -17.084 3.838 1.00 0.00 C ATOM 347 NE ARG A 55 4.635 -17.024 5.273 1.00 0.00 N ATOM 348 CZ ARG A 55 4.722 -18.098 6.050 1.00 0.00 C ATOM 349 NH1 ARG A 55 4.568 -19.309 5.533 1.00 0.00 N ATOM 350 NH2 ARG A 55 4.965 -17.962 7.347 1.00 0.00 N ATOM 0 H ARG A 55 0.035 -14.691 4.329 1.00 0.00 H new ATOM 0 HA ARG A 55 2.163 -13.831 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.525 -14.958 4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.931 -16.428 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.793 -15.804 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.498 -14.957 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.658 -17.883 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.291 -17.335 3.310 1.00 0.00 H new ATOM 0 HE ARG A 55 4.759 -16.107 5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.382 -19.418 4.536 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.635 -20.132 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.085 -17.032 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.032 -18.787 7.943 1.00 0.00 H new ATOM 364 N GLY A 56 1.448 -15.114 0.519 1.00 0.00 N ATOM 365 CA GLY A 56 1.047 -15.864 -0.658 1.00 0.00 C ATOM 366 C GLY A 56 0.752 -14.967 -1.843 1.00 0.00 C ATOM 367 O GLY A 56 0.946 -15.362 -2.994 1.00 0.00 O ATOM 0 H GLY A 56 2.008 -14.283 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.837 -16.565 -0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.162 -16.455 -0.424 1.00 0.00 H new ATOM 371 N LEU A 57 0.281 -13.757 -1.565 1.00 0.00 N ATOM 372 CA LEU A 57 -0.044 -12.801 -2.618 1.00 0.00 C ATOM 373 C LEU A 57 1.077 -11.781 -2.792 1.00 0.00 C ATOM 374 O LEU A 57 1.966 -11.670 -1.947 1.00 0.00 O ATOM 375 CB LEU A 57 -1.356 -12.084 -2.296 1.00 0.00 C ATOM 376 CG LEU A 57 -2.528 -12.979 -1.889 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.634 -12.152 -1.252 1.00 0.00 C ATOM 378 CD2 LEU A 57 -3.057 -13.745 -3.092 1.00 0.00 C ATOM 0 H LEU A 57 0.115 -13.414 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.158 -13.351 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.170 -11.374 -1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.654 -11.504 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.172 -13.700 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.459 -12.805 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.248 -11.650 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.988 -11.408 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.890 -14.376 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.397 -13.041 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.263 -14.368 -3.505 1.00 0.00 H new ATOM 390 N ASP A 58 1.026 -11.036 -3.891 1.00 0.00 N ATOM 391 CA ASP A 58 2.035 -10.022 -4.174 1.00 0.00 C ATOM 392 C ASP A 58 1.392 -8.756 -4.731 1.00 0.00 C ATOM 393 O ASP A 58 0.168 -8.659 -4.822 1.00 0.00 O ATOM 394 CB ASP A 58 3.068 -10.562 -5.164 1.00 0.00 C ATOM 395 CG ASP A 58 3.389 -12.024 -4.925 1.00 0.00 C ATOM 396 OD1 ASP A 58 2.672 -12.887 -5.475 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.358 -12.306 -4.190 1.00 0.00 O ATOM 0 H ASP A 58 0.297 -11.115 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 58 2.536 -9.772 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.694 -10.437 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.983 -9.975 -5.087 1.00 0.00 H new ATOM 402 N GLU A 59 2.225 -7.788 -5.101 1.00 0.00 N ATOM 403 CA GLU A 59 1.736 -6.527 -5.647 1.00 0.00 C ATOM 404 C GLU A 59 0.875 -6.768 -6.884 1.00 0.00 C ATOM 405 O GLU A 59 0.047 -5.933 -7.248 1.00 0.00 O ATOM 406 CB GLU A 59 2.908 -5.610 -5.999 1.00 0.00 C ATOM 407 CG GLU A 59 3.934 -5.479 -4.885 1.00 0.00 C ATOM 408 CD GLU A 59 5.042 -6.509 -4.988 1.00 0.00 C ATOM 409 OE1 GLU A 59 4.825 -7.550 -5.643 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.126 -6.274 -4.414 1.00 0.00 O ATOM 0 H GLU A 59 3.241 -7.853 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 59 1.122 -6.044 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.401 -5.992 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.523 -4.620 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.368 -4.480 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.434 -5.583 -3.922 1.00 0.00 H new ATOM 417 N GLN A 60 1.078 -7.914 -7.525 1.00 0.00 N ATOM 418 CA GLN A 60 0.322 -8.264 -8.722 1.00 0.00 C ATOM 419 C GLN A 60 -1.106 -8.664 -8.366 1.00 0.00 C ATOM 420 O GLN A 60 -1.976 -8.736 -9.234 1.00 0.00 O ATOM 421 CB GLN A 60 1.012 -9.405 -9.472 1.00 0.00 C ATOM 422 CG GLN A 60 2.415 -9.060 -9.946 1.00 0.00 C ATOM 423 CD GLN A 60 2.851 -9.897 -11.132 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.329 -9.748 -12.238 1.00 0.00 O ATOM 425 NE2 GLN A 60 3.814 -10.784 -10.909 1.00 0.00 N ATOM 0 H GLN A 60 1.759 -8.616 -7.236 1.00 0.00 H new ATOM 0 HA GLN A 60 0.284 -7.386 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.062 -10.279 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.404 -9.683 -10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.454 -8.005 -10.217 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.118 -9.205 -9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.218 -10.874 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.149 -11.375 -11.670 1.00 0.00 H new ATOM 434 N ASP A 61 -1.340 -8.924 -7.084 1.00 0.00 N ATOM 435 CA ASP A 61 -2.663 -9.317 -6.613 1.00 0.00 C ATOM 436 C ASP A 61 -3.354 -8.156 -5.905 1.00 0.00 C ATOM 437 O ASP A 61 -4.579 -8.136 -5.771 1.00 0.00 O ATOM 438 CB ASP A 61 -2.557 -10.515 -5.669 1.00 0.00 C ATOM 439 CG ASP A 61 -2.325 -11.817 -6.410 1.00 0.00 C ATOM 440 OD1 ASP A 61 -1.501 -11.828 -7.348 1.00 0.00 O ATOM 441 OD2 ASP A 61 -2.968 -12.826 -6.051 1.00 0.00 O ATOM 0 H ASP A 61 -0.631 -8.870 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.261 -9.599 -7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.740 -10.349 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.472 -10.593 -5.081 1.00 0.00 H new ATOM 446 N LEU A 62 -2.562 -7.190 -5.452 1.00 0.00 N ATOM 447 CA LEU A 62 -3.098 -6.025 -4.756 1.00 0.00 C ATOM 448 C LEU A 62 -3.398 -4.896 -5.736 1.00 0.00 C ATOM 449 O LEU A 62 -4.343 -4.129 -5.547 1.00 0.00 O ATOM 450 CB LEU A 62 -2.109 -5.543 -3.693 1.00 0.00 C ATOM 451 CG LEU A 62 -1.979 -6.423 -2.449 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.872 -5.907 -1.543 1.00 0.00 C ATOM 453 CD2 LEU A 62 -3.301 -6.482 -1.697 1.00 0.00 C ATOM 0 H LEU A 62 -1.547 -7.190 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.029 -6.318 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.126 -5.453 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.405 -4.543 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.719 -7.432 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.794 -6.546 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.075 -5.917 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.102 -4.888 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.190 -7.112 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.590 -5.477 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.071 -6.899 -2.346 1.00 0.00 H new ATOM 465 N LYS A 63 -2.590 -4.799 -6.786 1.00 0.00 N ATOM 466 CA LYS A 63 -2.770 -3.767 -7.799 1.00 0.00 C ATOM 467 C LYS A 63 -4.216 -3.724 -8.282 1.00 0.00 C ATOM 468 O LYS A 63 -4.826 -2.661 -8.399 1.00 0.00 O ATOM 469 CB LYS A 63 -1.833 -4.016 -8.984 1.00 0.00 C ATOM 470 CG LYS A 63 -1.338 -2.743 -9.646 1.00 0.00 C ATOM 471 CD LYS A 63 -0.212 -3.026 -10.627 1.00 0.00 C ATOM 472 CE LYS A 63 1.105 -3.274 -9.906 1.00 0.00 C ATOM 473 NZ LYS A 63 1.753 -2.003 -9.482 1.00 0.00 N ATOM 0 H LYS A 63 -1.803 -5.424 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.527 -2.805 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.975 -4.595 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.352 -4.623 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.163 -2.259 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.991 -2.046 -8.883 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.466 -3.896 -11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.102 -2.183 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.928 -3.901 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.780 -3.825 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.647 -2.215 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.945 -1.416 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.120 -1.489 -8.836 1.00 0.00 H new ATOM 487 N PRO A 64 -4.781 -4.907 -8.567 1.00 0.00 N ATOM 488 CA PRO A 64 -6.163 -5.031 -9.039 1.00 0.00 C ATOM 489 C PRO A 64 -7.140 -4.223 -8.191 1.00 0.00 C ATOM 490 O PRO A 64 -7.901 -3.406 -8.711 1.00 0.00 O ATOM 491 CB PRO A 64 -6.451 -6.528 -8.905 1.00 0.00 C ATOM 492 CG PRO A 64 -5.115 -7.181 -9.003 1.00 0.00 C ATOM 493 CD PRO A 64 -4.114 -6.214 -8.450 1.00 0.00 C ATOM 0 HA PRO A 64 -6.283 -4.649 -10.053 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.934 -6.755 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.120 -6.875 -9.693 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.100 -8.115 -8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.881 -7.428 -10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.866 -6.445 -7.414 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.181 -6.238 -9.014 1.00 0.00 H new ATOM 501 N LEU A 65 -7.113 -4.455 -6.883 1.00 0.00 N ATOM 502 CA LEU A 65 -7.996 -3.747 -5.962 1.00 0.00 C ATOM 503 C LEU A 65 -7.672 -2.257 -5.933 1.00 0.00 C ATOM 504 O LEU A 65 -8.546 -1.417 -6.146 1.00 0.00 O ATOM 505 CB LEU A 65 -7.875 -4.335 -4.555 1.00 0.00 C ATOM 506 CG LEU A 65 -8.531 -5.699 -4.338 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.313 -6.175 -2.911 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.017 -5.632 -4.659 1.00 0.00 C ATOM 0 H LEU A 65 -6.490 -5.128 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.020 -3.870 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.817 -4.420 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.311 -3.628 -3.849 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.065 -6.417 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.787 -7.147 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.244 -6.262 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.751 -5.458 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.468 -6.611 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.497 -4.901 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.152 -5.336 -5.699 1.00 0.00 H new ATOM 520 N PHE A 66 -6.409 -1.937 -5.671 1.00 0.00 N ATOM 521 CA PHE A 66 -5.969 -0.548 -5.616 1.00 0.00 C ATOM 522 C PHE A 66 -6.253 0.166 -6.934 1.00 0.00 C ATOM 523 O PHE A 66 -6.409 1.386 -6.970 1.00 0.00 O ATOM 524 CB PHE A 66 -4.474 -0.477 -5.295 1.00 0.00 C ATOM 525 CG PHE A 66 -4.129 -0.992 -3.927 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.913 -0.665 -2.832 1.00 0.00 C ATOM 527 CD2 PHE A 66 -3.022 -1.803 -3.737 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.597 -1.137 -1.572 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.702 -2.278 -2.479 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.491 -1.945 -1.395 1.00 0.00 C ATOM 0 H PHE A 66 -5.673 -2.620 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.528 -0.047 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.923 -1.051 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.141 0.558 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.780 -0.035 -2.965 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.402 -2.067 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.215 -0.874 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.836 -2.909 -2.344 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.243 -2.316 -0.411 1.00 0.00 H new ATOM 540 N GLU A 67 -6.317 -0.605 -8.015 1.00 0.00 N ATOM 541 CA GLU A 67 -6.580 -0.046 -9.336 1.00 0.00 C ATOM 542 C GLU A 67 -8.077 0.147 -9.557 1.00 0.00 C ATOM 543 O GLU A 67 -8.504 0.611 -10.614 1.00 0.00 O ATOM 544 CB GLU A 67 -6.007 -0.958 -10.424 1.00 0.00 C ATOM 545 CG GLU A 67 -4.541 -0.697 -10.726 1.00 0.00 C ATOM 546 CD GLU A 67 -4.169 -1.044 -12.155 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.909 -0.641 -13.076 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.137 -1.720 -12.351 1.00 0.00 O ATOM 0 H GLU A 67 -6.191 -1.617 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.093 0.927 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.127 -1.997 -10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.586 -0.828 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.317 0.354 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.924 -1.279 -10.042 1.00 0.00 H new ATOM 555 N GLU A 68 -8.869 -0.213 -8.551 1.00 0.00 N ATOM 556 CA GLU A 68 -10.319 -0.080 -8.636 1.00 0.00 C ATOM 557 C GLU A 68 -10.765 1.311 -8.195 1.00 0.00 C ATOM 558 O GLU A 68 -11.906 1.711 -8.425 1.00 0.00 O ATOM 559 CB GLU A 68 -11.002 -1.144 -7.774 1.00 0.00 C ATOM 560 CG GLU A 68 -12.501 -1.238 -7.999 1.00 0.00 C ATOM 561 CD GLU A 68 -12.862 -2.151 -9.155 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.720 -1.718 -10.318 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.286 -3.297 -8.897 1.00 0.00 O ATOM 0 H GLU A 68 -8.531 -0.598 -7.669 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.611 -0.223 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.550 -2.114 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.814 -0.924 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.979 -1.603 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.899 -0.241 -8.190 1.00 0.00 H new ATOM 570 N PHE A 69 -9.856 2.043 -7.560 1.00 0.00 N ATOM 571 CA PHE A 69 -10.155 3.389 -7.084 1.00 0.00 C ATOM 572 C PHE A 69 -9.426 4.436 -7.922 1.00 0.00 C ATOM 573 O PHE A 69 -10.044 5.343 -8.477 1.00 0.00 O ATOM 574 CB PHE A 69 -9.761 3.532 -5.613 1.00 0.00 C ATOM 575 CG PHE A 69 -10.464 2.562 -4.707 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.675 2.893 -4.122 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.913 1.319 -4.441 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.323 2.002 -3.287 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.557 0.423 -3.607 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.764 0.766 -3.031 1.00 0.00 C ATOM 0 H PHE A 69 -8.906 1.727 -7.363 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.228 3.553 -7.183 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.684 3.391 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.979 4.548 -5.284 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.118 3.858 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.969 1.046 -4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.266 2.273 -2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.117 -0.543 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.270 0.068 -2.381 1.00 0.00 H new ATOM 590 N GLY A 70 -8.105 4.303 -8.007 1.00 0.00 N ATOM 591 CA GLY A 70 -7.313 5.244 -8.777 1.00 0.00 C ATOM 592 C GLY A 70 -6.079 4.604 -9.381 1.00 0.00 C ATOM 593 O GLY A 70 -5.796 3.432 -9.135 1.00 0.00 O ATOM 0 H GLY A 70 -7.570 3.561 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.927 5.665 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.012 6.072 -8.135 1.00 0.00 H new ATOM 597 N ARG A 71 -5.343 5.376 -10.174 1.00 0.00 N ATOM 598 CA ARG A 71 -4.134 4.876 -10.818 1.00 0.00 C ATOM 599 C ARG A 71 -2.953 4.904 -9.851 1.00 0.00 C ATOM 600 O ARG A 71 -2.487 5.972 -9.455 1.00 0.00 O ATOM 601 CB ARG A 71 -3.810 5.709 -12.059 1.00 0.00 C ATOM 602 CG ARG A 71 -2.892 5.003 -13.044 1.00 0.00 C ATOM 603 CD ARG A 71 -2.041 5.995 -13.822 1.00 0.00 C ATOM 604 NE ARG A 71 -2.693 6.424 -15.057 1.00 0.00 N ATOM 605 CZ ARG A 71 -2.257 7.430 -15.807 1.00 0.00 C ATOM 606 NH1 ARG A 71 -1.175 8.108 -15.448 1.00 0.00 N ATOM 607 NH2 ARG A 71 -2.904 7.760 -16.917 1.00 0.00 N ATOM 0 H ARG A 71 -5.562 6.349 -10.386 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.312 3.843 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.740 5.969 -12.564 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.344 6.644 -11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.245 4.309 -12.507 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.488 4.410 -13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.837 6.865 -13.198 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.079 5.540 -14.059 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.529 5.924 -15.360 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.676 7.857 -14.595 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.842 8.880 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.737 7.241 -17.195 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.569 8.533 -17.492 1.00 0.00 H new ATOM 621 N ILE A 72 -2.475 3.722 -9.477 1.00 0.00 N ATOM 622 CA ILE A 72 -1.348 3.611 -8.558 1.00 0.00 C ATOM 623 C ILE A 72 -0.111 4.303 -9.119 1.00 0.00 C ATOM 624 O ILE A 72 0.152 4.249 -10.321 1.00 0.00 O ATOM 625 CB ILE A 72 -1.009 2.139 -8.259 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.252 1.397 -7.763 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.112 2.052 -7.233 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.207 -0.094 -8.017 1.00 0.00 C ATOM 0 H ILE A 72 -2.850 2.828 -9.796 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.646 4.102 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.670 1.665 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.367 1.572 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.133 1.814 -8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.341 1.005 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.001 2.549 -7.622 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.201 2.539 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.120 -0.555 -7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.123 -0.278 -9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.345 -0.524 -7.506 1.00 0.00 H new ATOM 640 N TYR A 73 0.647 4.950 -8.241 1.00 0.00 N ATOM 641 CA TYR A 73 1.858 5.653 -8.649 1.00 0.00 C ATOM 642 C TYR A 73 3.099 4.816 -8.355 1.00 0.00 C ATOM 643 O TYR A 73 4.076 4.852 -9.103 1.00 0.00 O ATOM 644 CB TYR A 73 1.956 7.001 -7.931 1.00 0.00 C ATOM 645 CG TYR A 73 3.299 7.676 -8.094 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.408 7.242 -7.378 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.459 8.749 -8.962 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.637 7.857 -7.522 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.684 9.369 -9.114 1.00 0.00 C ATOM 650 CZ TYR A 73 5.770 8.920 -8.392 1.00 0.00 C ATOM 651 OH TYR A 73 6.992 9.535 -8.539 1.00 0.00 O ATOM 0 H TYR A 73 0.445 5.002 -7.243 1.00 0.00 H new ATOM 0 HA TYR A 73 1.804 5.824 -9.724 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.177 7.663 -8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.759 6.853 -6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.308 6.410 -6.697 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.611 9.105 -9.528 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.489 7.508 -6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.791 10.201 -9.795 1.00 0.00 H new ATOM 0 HH TYR A 73 6.983 10.093 -9.345 1.00 0.00 H new ATOM 661 N GLU A 74 3.052 4.063 -7.261 1.00 0.00 N ATOM 662 CA GLU A 74 4.172 3.217 -6.867 1.00 0.00 C ATOM 663 C GLU A 74 3.767 2.265 -5.746 1.00 0.00 C ATOM 664 O GLU A 74 3.335 2.696 -4.676 1.00 0.00 O ATOM 665 CB GLU A 74 5.356 4.076 -6.420 1.00 0.00 C ATOM 666 CG GLU A 74 6.648 3.293 -6.252 1.00 0.00 C ATOM 667 CD GLU A 74 7.853 4.191 -6.050 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.785 5.088 -5.184 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.863 3.997 -6.758 1.00 0.00 O ATOM 0 H GLU A 74 2.250 4.022 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 74 4.469 2.625 -7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.514 4.869 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.108 4.558 -5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.553 2.622 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.808 2.670 -7.132 1.00 0.00 H new ATOM 676 N LEU A 75 3.910 0.968 -5.998 1.00 0.00 N ATOM 677 CA LEU A 75 3.560 -0.046 -5.010 1.00 0.00 C ATOM 678 C LEU A 75 4.771 -0.903 -4.656 1.00 0.00 C ATOM 679 O LEU A 75 5.514 -1.341 -5.534 1.00 0.00 O ATOM 680 CB LEU A 75 2.431 -0.933 -5.539 1.00 0.00 C ATOM 681 CG LEU A 75 1.882 -1.974 -4.564 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.544 -1.329 -3.228 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.657 -2.661 -5.150 1.00 0.00 C ATOM 0 H LEU A 75 4.266 0.594 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 75 3.222 0.463 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.609 -0.291 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.790 -1.451 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 75 2.652 -2.727 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.155 -2.086 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.443 -0.884 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.792 -0.554 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.280 -3.399 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.117 -1.919 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.929 -3.158 -6.081 1.00 0.00 H new ATOM 695 N THR A 76 4.963 -1.141 -3.362 1.00 0.00 N ATOM 696 CA THR A 76 6.083 -1.946 -2.891 1.00 0.00 C ATOM 697 C THR A 76 5.708 -2.730 -1.638 1.00 0.00 C ATOM 698 O THR A 76 5.040 -2.209 -0.745 1.00 0.00 O ATOM 699 CB THR A 76 7.315 -1.072 -2.586 1.00 0.00 C ATOM 700 OG1 THR A 76 7.913 -0.626 -3.808 1.00 0.00 O ATOM 701 CG2 THR A 76 8.337 -1.845 -1.767 1.00 0.00 C ATOM 0 H THR A 76 4.357 -0.787 -2.622 1.00 0.00 H new ATOM 0 HA THR A 76 6.330 -2.642 -3.692 1.00 0.00 H new ATOM 0 HB THR A 76 6.987 -0.209 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.352 -0.896 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.198 -1.208 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.887 -2.158 -0.825 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.660 -2.724 -2.324 1.00 0.00 H new ATOM 709 N VAL A 77 6.143 -3.984 -1.579 1.00 0.00 N ATOM 710 CA VAL A 77 5.854 -4.840 -0.434 1.00 0.00 C ATOM 711 C VAL A 77 7.065 -4.956 0.485 1.00 0.00 C ATOM 712 O VAL A 77 8.191 -5.154 0.025 1.00 0.00 O ATOM 713 CB VAL A 77 5.426 -6.250 -0.881 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.262 -7.166 0.323 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.140 -6.185 -1.691 1.00 0.00 C ATOM 0 H VAL A 77 6.697 -4.430 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 77 5.032 -4.374 0.110 1.00 0.00 H new ATOM 0 HB VAL A 77 6.209 -6.663 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.959 -8.158 -0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.209 -7.237 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.500 -6.760 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.852 -7.190 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.347 -5.751 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.297 -5.566 -2.575 1.00 0.00 H new ATOM 725 N LEU A 78 6.828 -4.832 1.786 1.00 0.00 N ATOM 726 CA LEU A 78 7.900 -4.923 2.771 1.00 0.00 C ATOM 727 C LEU A 78 8.162 -6.375 3.157 1.00 0.00 C ATOM 728 O LEU A 78 7.230 -7.142 3.403 1.00 0.00 O ATOM 729 CB LEU A 78 7.545 -4.108 4.016 1.00 0.00 C ATOM 730 CG LEU A 78 7.501 -2.591 3.835 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.496 -1.968 4.792 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.883 -1.988 4.044 1.00 0.00 C ATOM 0 H LEU A 78 5.903 -4.668 2.183 1.00 0.00 H new ATOM 0 HA LEU A 78 8.807 -4.516 2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.571 -4.439 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.270 -4.340 4.796 1.00 0.00 H new ATOM 0 HG LEU A 78 7.183 -2.376 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.479 -0.888 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.505 -2.376 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.784 -2.193 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.832 -0.907 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.230 -2.214 5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.578 -2.411 3.318 1.00 0.00 H new ATOM 744 N LYS A 79 9.437 -6.746 3.212 1.00 0.00 N ATOM 745 CA LYS A 79 9.824 -8.105 3.572 1.00 0.00 C ATOM 746 C LYS A 79 11.039 -8.099 4.493 1.00 0.00 C ATOM 747 O LYS A 79 11.956 -7.296 4.321 1.00 0.00 O ATOM 748 CB LYS A 79 10.129 -8.921 2.313 1.00 0.00 C ATOM 749 CG LYS A 79 8.998 -8.920 1.299 1.00 0.00 C ATOM 750 CD LYS A 79 9.429 -9.546 -0.017 1.00 0.00 C ATOM 751 CE LYS A 79 8.433 -9.249 -1.128 1.00 0.00 C ATOM 752 NZ LYS A 79 9.052 -9.377 -2.476 1.00 0.00 N ATOM 0 H LYS A 79 10.220 -6.124 3.012 1.00 0.00 H new ATOM 0 HA LYS A 79 8.990 -8.565 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.028 -8.524 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.347 -9.950 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.146 -9.468 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.665 -7.897 1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.412 -9.167 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.527 -10.625 0.107 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.588 -9.933 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.040 -8.240 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.341 -9.167 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.843 -8.707 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.405 -10.347 -2.605 1.00 0.00 H new ATOM 766 N ASP A 80 11.040 -8.999 5.470 1.00 0.00 N ATOM 767 CA ASP A 80 12.144 -9.099 6.417 1.00 0.00 C ATOM 768 C ASP A 80 13.487 -8.995 5.699 1.00 0.00 C ATOM 769 O ASP A 80 13.561 -9.136 4.479 1.00 0.00 O ATOM 770 CB ASP A 80 12.065 -10.417 7.189 1.00 0.00 C ATOM 771 CG ASP A 80 11.248 -10.296 8.460 1.00 0.00 C ATOM 772 OD1 ASP A 80 11.730 -9.653 9.415 1.00 0.00 O ATOM 773 OD2 ASP A 80 10.126 -10.844 8.499 1.00 0.00 O ATOM 0 H ASP A 80 10.288 -9.670 5.627 1.00 0.00 H new ATOM 0 HA ASP A 80 12.063 -8.270 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.626 -11.183 6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.073 -10.749 7.439 1.00 0.00 H new ATOM 778 N ARG A 81 14.544 -8.747 6.466 1.00 0.00 N ATOM 779 CA ARG A 81 15.883 -8.622 5.903 1.00 0.00 C ATOM 780 C ARG A 81 16.784 -9.753 6.388 1.00 0.00 C ATOM 781 O ARG A 81 17.922 -9.891 5.937 1.00 0.00 O ATOM 782 CB ARG A 81 16.493 -7.271 6.280 1.00 0.00 C ATOM 783 CG ARG A 81 16.772 -7.122 7.767 1.00 0.00 C ATOM 784 CD ARG A 81 15.565 -6.569 8.508 1.00 0.00 C ATOM 785 NE ARG A 81 15.952 -5.787 9.679 1.00 0.00 N ATOM 786 CZ ARG A 81 16.437 -4.552 9.611 1.00 0.00 C ATOM 787 NH1 ARG A 81 16.591 -3.962 8.434 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.767 -3.905 10.721 1.00 0.00 N ATOM 0 H ARG A 81 14.499 -8.629 7.478 1.00 0.00 H new ATOM 0 HA ARG A 81 15.802 -8.686 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.424 -7.136 5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.817 -6.476 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 81 17.045 -8.091 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.625 -6.460 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.980 -5.945 7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.922 -7.392 8.819 1.00 0.00 H new ATOM 0 HE ARG A 81 15.844 -6.212 10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.337 -4.456 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.963 -3.014 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.649 -4.356 11.628 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.139 -2.957 10.667 1.00 0.00 H new ATOM 802 N LEU A 82 16.269 -10.559 7.310 1.00 0.00 N ATOM 803 CA LEU A 82 17.028 -11.678 7.857 1.00 0.00 C ATOM 804 C LEU A 82 16.577 -12.997 7.237 1.00 0.00 C ATOM 805 O LEU A 82 17.400 -13.817 6.829 1.00 0.00 O ATOM 806 CB LEU A 82 16.865 -11.735 9.377 1.00 0.00 C ATOM 807 CG LEU A 82 17.831 -10.871 10.189 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.403 -10.818 11.647 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.252 -11.402 10.067 1.00 0.00 C ATOM 0 H LEU A 82 15.329 -10.459 7.694 1.00 0.00 H new ATOM 0 HA LEU A 82 18.080 -11.525 7.615 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.846 -11.436 9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 82 16.980 -12.771 9.696 1.00 0.00 H new ATOM 0 HG LEU A 82 17.807 -9.858 9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.102 -10.199 12.209 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.403 -10.391 11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.397 -11.826 12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.926 -10.775 10.651 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.292 -12.425 10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.558 -11.387 9.021 1.00 0.00 H new ATOM 821 N THR A 83 15.264 -13.193 7.165 1.00 0.00 N ATOM 822 CA THR A 83 14.704 -14.411 6.593 1.00 0.00 C ATOM 823 C THR A 83 14.146 -14.156 5.197 1.00 0.00 C ATOM 824 O THR A 83 14.170 -15.037 4.338 1.00 0.00 O ATOM 825 CB THR A 83 13.587 -14.988 7.483 1.00 0.00 C ATOM 826 OG1 THR A 83 12.583 -13.993 7.715 1.00 0.00 O ATOM 827 CG2 THR A 83 14.149 -15.469 8.812 1.00 0.00 C ATOM 0 H THR A 83 14.569 -12.524 7.496 1.00 0.00 H new ATOM 0 HA THR A 83 15.517 -15.134 6.530 1.00 0.00 H new ATOM 0 HB THR A 83 13.142 -15.838 6.966 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.166 -14.146 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.342 -15.872 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.892 -16.246 8.633 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.617 -14.634 9.333 1.00 0.00 H new ATOM 835 N GLY A 84 13.643 -12.945 4.978 1.00 0.00 N ATOM 836 CA GLY A 84 13.086 -12.596 3.684 1.00 0.00 C ATOM 837 C GLY A 84 11.685 -13.141 3.490 1.00 0.00 C ATOM 838 O GLY A 84 11.246 -13.358 2.360 1.00 0.00 O ATOM 0 H GLY A 84 13.611 -12.199 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.068 -11.511 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.734 -12.981 2.897 1.00 0.00 H new ATOM 842 N LEU A 85 10.981 -13.364 4.594 1.00 0.00 N ATOM 843 CA LEU A 85 9.621 -13.889 4.541 1.00 0.00 C ATOM 844 C LEU A 85 8.598 -12.758 4.597 1.00 0.00 C ATOM 845 O LEU A 85 8.648 -11.905 5.483 1.00 0.00 O ATOM 846 CB LEU A 85 9.384 -14.864 5.696 1.00 0.00 C ATOM 847 CG LEU A 85 10.417 -15.979 5.855 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.391 -16.533 7.272 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.167 -17.087 4.843 1.00 0.00 C ATOM 0 H LEU A 85 11.329 -13.190 5.537 1.00 0.00 H new ATOM 0 HA LEU A 85 9.499 -14.418 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.348 -14.294 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.403 -15.321 5.564 1.00 0.00 H new ATOM 0 HG LEU A 85 11.406 -15.560 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.133 -17.326 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.620 -15.735 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.401 -16.935 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.912 -17.872 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.171 -17.503 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.238 -16.681 3.834 1.00 0.00 H new ATOM 861 N HIS A 86 7.670 -12.759 3.645 1.00 0.00 N ATOM 862 CA HIS A 86 6.633 -11.735 3.587 1.00 0.00 C ATOM 863 C HIS A 86 6.152 -11.370 4.988 1.00 0.00 C ATOM 864 O HIS A 86 5.357 -12.091 5.591 1.00 0.00 O ATOM 865 CB HIS A 86 5.456 -12.218 2.741 1.00 0.00 C ATOM 866 CG HIS A 86 4.506 -11.126 2.355 1.00 0.00 C ATOM 867 ND1 HIS A 86 3.894 -10.302 3.276 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.067 -10.723 1.140 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.117 -9.440 2.644 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.204 -9.674 1.347 1.00 0.00 N ATOM 0 H HIS A 86 7.615 -13.457 2.904 1.00 0.00 H new ATOM 0 HA HIS A 86 7.061 -10.845 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.839 -12.691 1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.911 -12.983 3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.343 -11.147 0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.514 -8.674 3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.711 -9.159 0.617 1.00 0.00 H new ATOM 879 N LYS A 87 6.639 -10.246 5.502 1.00 0.00 N ATOM 880 CA LYS A 87 6.259 -9.783 6.832 1.00 0.00 C ATOM 881 C LYS A 87 4.743 -9.689 6.962 1.00 0.00 C ATOM 882 O LYS A 87 4.157 -10.213 7.909 1.00 0.00 O ATOM 883 CB LYS A 87 6.893 -8.420 7.121 1.00 0.00 C ATOM 884 CG LYS A 87 8.411 -8.436 7.086 1.00 0.00 C ATOM 885 CD LYS A 87 8.992 -7.107 7.539 1.00 0.00 C ATOM 886 CE LYS A 87 8.769 -6.018 6.500 1.00 0.00 C ATOM 887 NZ LYS A 87 8.654 -4.671 7.125 1.00 0.00 N ATOM 0 H LYS A 87 7.299 -9.638 5.017 1.00 0.00 H new ATOM 0 HA LYS A 87 6.624 -10.507 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.529 -7.697 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.564 -8.076 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.782 -9.235 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.750 -8.657 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.533 -6.811 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.060 -7.220 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.595 -6.019 5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.862 -6.235 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.661 -4.363 7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.983 -4.716 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.238 -3.992 6.596 1.00 0.00 H new ATOM 901 N GLY A 88 4.111 -9.018 6.003 1.00 0.00 N ATOM 902 CA GLY A 88 2.668 -8.869 6.029 1.00 0.00 C ATOM 903 C GLY A 88 2.232 -7.423 5.896 1.00 0.00 C ATOM 904 O GLY A 88 1.323 -6.975 6.596 1.00 0.00 O ATOM 0 H GLY A 88 4.573 -8.575 5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.231 -9.453 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.280 -9.278 6.962 1.00 0.00 H new ATOM 908 N CYS A 89 2.882 -6.691 4.998 1.00 0.00 N ATOM 909 CA CYS A 89 2.558 -5.286 4.778 1.00 0.00 C ATOM 910 C CYS A 89 3.176 -4.783 3.478 1.00 0.00 C ATOM 911 O CYS A 89 4.080 -5.409 2.926 1.00 0.00 O ATOM 912 CB CYS A 89 3.049 -4.438 5.952 1.00 0.00 C ATOM 913 SG CYS A 89 4.591 -5.024 6.693 1.00 0.00 S ATOM 0 H CYS A 89 3.636 -7.047 4.411 1.00 0.00 H new ATOM 0 HA CYS A 89 1.474 -5.196 4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 89 3.189 -3.412 5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.275 -4.416 6.719 1.00 0.00 H new ATOM 0 HG CYS A 89 4.925 -4.241 7.675 1.00 0.00 H new ATOM 919 N ALA A 90 2.681 -3.649 2.993 1.00 0.00 N ATOM 920 CA ALA A 90 3.185 -3.061 1.758 1.00 0.00 C ATOM 921 C ALA A 90 2.831 -1.581 1.670 1.00 0.00 C ATOM 922 O ALA A 90 1.780 -1.154 2.148 1.00 0.00 O ATOM 923 CB ALA A 90 2.634 -3.810 0.554 1.00 0.00 C ATOM 0 H ALA A 90 1.931 -3.119 3.437 1.00 0.00 H new ATOM 0 HA ALA A 90 4.272 -3.148 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.018 -3.360 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.943 -4.854 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.546 -3.753 0.557 1.00 0.00 H new ATOM 929 N PHE A 91 3.716 -0.801 1.057 1.00 0.00 N ATOM 930 CA PHE A 91 3.497 0.633 0.908 1.00 0.00 C ATOM 931 C PHE A 91 2.843 0.947 -0.435 1.00 0.00 C ATOM 932 O PHE A 91 3.389 0.632 -1.493 1.00 0.00 O ATOM 933 CB PHE A 91 4.822 1.388 1.031 1.00 0.00 C ATOM 934 CG PHE A 91 5.269 1.586 2.451 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.397 2.092 3.402 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.561 1.266 2.836 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.806 2.276 4.709 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.975 1.448 4.142 1.00 0.00 C ATOM 939 CZ PHE A 91 6.096 1.952 5.080 1.00 0.00 C ATOM 0 H PHE A 91 4.591 -1.138 0.656 1.00 0.00 H new ATOM 0 HA PHE A 91 2.826 0.957 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.594 0.842 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.722 2.361 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.386 2.345 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.253 0.870 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.117 2.673 5.440 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.985 1.196 4.429 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.417 2.093 6.102 1.00 0.00 H new ATOM 949 N LEU A 92 1.670 1.568 -0.384 1.00 0.00 N ATOM 950 CA LEU A 92 0.940 1.925 -1.595 1.00 0.00 C ATOM 951 C LEU A 92 0.940 3.436 -1.807 1.00 0.00 C ATOM 952 O LEU A 92 0.677 4.204 -0.881 1.00 0.00 O ATOM 953 CB LEU A 92 -0.498 1.410 -1.518 1.00 0.00 C ATOM 954 CG LEU A 92 -1.477 1.995 -2.537 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.131 1.522 -3.941 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.907 1.616 -2.182 1.00 0.00 C ATOM 0 H LEU A 92 1.204 1.835 0.483 1.00 0.00 H new ATOM 0 HA LEU A 92 1.442 1.458 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.482 0.327 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.882 1.612 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.394 3.081 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.838 1.948 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.121 1.844 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.186 0.434 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.589 2.041 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.006 0.530 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.152 2.005 -1.193 1.00 0.00 H new ATOM 968 N THR A 93 1.236 3.857 -3.032 1.00 0.00 N ATOM 969 CA THR A 93 1.270 5.275 -3.366 1.00 0.00 C ATOM 970 C THR A 93 0.296 5.598 -4.494 1.00 0.00 C ATOM 971 O THR A 93 0.253 4.901 -5.508 1.00 0.00 O ATOM 972 CB THR A 93 2.684 5.721 -3.781 1.00 0.00 C ATOM 973 OG1 THR A 93 3.634 5.328 -2.783 1.00 0.00 O ATOM 974 CG2 THR A 93 2.741 7.229 -3.976 1.00 0.00 C ATOM 0 H THR A 93 1.456 3.235 -3.810 1.00 0.00 H new ATOM 0 HA THR A 93 0.975 5.818 -2.468 1.00 0.00 H new ATOM 0 HB THR A 93 2.930 5.239 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.531 5.614 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.750 7.520 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.038 7.522 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.476 7.727 -3.043 1.00 0.00 H new ATOM 982 N TYR A 94 -0.483 6.658 -4.312 1.00 0.00 N ATOM 983 CA TYR A 94 -1.457 7.072 -5.314 1.00 0.00 C ATOM 984 C TYR A 94 -1.018 8.362 -6.001 1.00 0.00 C ATOM 985 O TYR A 94 -0.523 9.286 -5.354 1.00 0.00 O ATOM 986 CB TYR A 94 -2.831 7.266 -4.671 1.00 0.00 C ATOM 987 CG TYR A 94 -3.661 6.003 -4.622 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.117 5.404 -5.790 1.00 0.00 C ATOM 989 CD2 TYR A 94 -3.989 5.410 -3.410 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.876 4.250 -5.750 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.746 4.256 -3.361 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.188 3.680 -4.534 1.00 0.00 C ATOM 993 OH TYR A 94 -5.944 2.530 -4.489 1.00 0.00 O ATOM 0 H TYR A 94 -0.459 7.246 -3.479 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.523 6.286 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.698 7.643 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.378 8.029 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.874 5.848 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.646 5.859 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.223 3.797 -6.667 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.991 3.807 -2.410 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.068 2.184 -5.398 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.203 8.417 -7.315 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.826 9.593 -8.092 1.00 0.00 C ATOM 1005 C CYS A 95 -1.523 10.841 -7.561 1.00 0.00 C ATOM 1006 O CYS A 95 -0.908 11.899 -7.430 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.174 9.388 -9.567 1.00 0.00 C ATOM 1008 SG CYS A 95 -2.916 9.011 -9.869 1.00 0.00 S ATOM 0 H CYS A 95 -1.612 7.661 -7.865 1.00 0.00 H new ATOM 0 HA CYS A 95 0.251 9.732 -7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.907 10.288 -10.121 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.564 8.577 -9.964 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.110 7.731 -9.749 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.810 10.710 -7.258 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.591 11.827 -6.741 1.00 0.00 C ATOM 1016 C ALA A 96 -3.957 11.610 -5.277 1.00 0.00 C ATOM 1017 O ALA A 96 -3.960 10.479 -4.789 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.847 12.025 -7.577 1.00 0.00 C ATOM 0 H ALA A 96 -3.334 9.841 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.979 12.727 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.420 12.862 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.568 12.234 -8.610 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.454 11.120 -7.542 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.266 12.699 -4.581 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.632 12.627 -3.172 1.00 0.00 C ATOM 1026 C ARG A 97 -5.979 11.932 -2.994 1.00 0.00 C ATOM 1027 O ARG A 97 -6.076 10.910 -2.315 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.687 14.030 -2.565 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.371 14.081 -1.209 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.435 15.502 -0.670 1.00 0.00 C ATOM 1031 NE ARG A 97 -4.210 15.878 0.030 1.00 0.00 N ATOM 1032 CZ ARG A 97 -4.141 16.868 0.912 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -5.223 17.578 1.202 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -2.990 17.149 1.508 1.00 0.00 N ATOM 0 H ARG A 97 -4.270 13.642 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.870 12.044 -2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.672 14.413 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.212 14.694 -3.252 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.380 13.677 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.832 13.447 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.609 16.194 -1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.283 15.594 0.009 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.360 15.351 -0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.111 17.364 0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.168 18.338 1.880 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.156 16.604 1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.939 17.910 2.185 1.00 0.00 H new ATOM 1048 N ASP A 98 -7.014 12.494 -3.609 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.355 11.928 -3.519 1.00 0.00 C ATOM 1050 C ASP A 98 -8.313 10.408 -3.640 1.00 0.00 C ATOM 1051 O ASP A 98 -8.747 9.692 -2.739 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.253 12.515 -4.611 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.664 13.944 -4.316 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -9.747 14.303 -3.123 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -9.905 14.703 -5.278 1.00 0.00 O ATOM 0 H ASP A 98 -6.950 13.340 -4.175 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.767 12.185 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.729 12.481 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.145 11.897 -4.715 1.00 0.00 H new ATOM 1060 N SER A 99 -7.788 9.923 -4.761 1.00 0.00 N ATOM 1061 CA SER A 99 -7.694 8.488 -5.002 1.00 0.00 C ATOM 1062 C SER A 99 -7.258 7.752 -3.739 1.00 0.00 C ATOM 1063 O SER A 99 -7.709 6.639 -3.469 1.00 0.00 O ATOM 1064 CB SER A 99 -6.708 8.204 -6.137 1.00 0.00 C ATOM 1065 OG SER A 99 -7.164 8.758 -7.359 1.00 0.00 O ATOM 0 H SER A 99 -7.422 10.503 -5.516 1.00 0.00 H new ATOM 0 HA SER A 99 -8.682 8.127 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.732 8.620 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.577 7.128 -6.248 1.00 0.00 H new ATOM 0 HG SER A 99 -6.516 8.564 -8.068 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.379 8.383 -2.968 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.883 7.791 -1.732 1.00 0.00 C ATOM 1073 C ALA A 100 -6.966 7.771 -0.659 1.00 0.00 C ATOM 1074 O ALA A 100 -7.253 6.727 -0.071 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.661 8.550 -1.236 1.00 0.00 C ATOM 0 H ALA A 100 -5.996 9.305 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.597 6.760 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.301 8.097 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.876 8.508 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.930 9.590 -1.049 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.565 8.930 -0.408 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.618 9.046 0.595 1.00 0.00 C ATOM 1083 C LEU A 101 -9.759 8.077 0.301 1.00 0.00 C ATOM 1084 O LEU A 101 -10.257 7.396 1.198 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.150 10.479 0.642 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.101 11.579 0.812 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -8.662 12.924 0.376 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -7.622 11.641 2.255 1.00 0.00 C ATOM 0 H LEU A 101 -7.339 9.803 -0.885 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.191 8.792 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.703 10.671 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -9.863 10.554 1.463 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.247 11.342 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.901 13.694 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.954 12.874 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.533 13.169 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.876 12.429 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.467 11.854 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.179 10.684 2.533 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.169 8.019 -0.962 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.249 7.132 -1.377 1.00 0.00 C ATOM 1102 C LYS A 102 -10.922 5.681 -1.037 1.00 0.00 C ATOM 1103 O LYS A 102 -11.556 5.079 -0.171 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.502 7.270 -2.880 1.00 0.00 C ATOM 1105 CG LYS A 102 -11.863 8.682 -3.308 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.306 8.728 -4.761 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.782 8.390 -4.904 1.00 0.00 C ATOM 1108 NZ LYS A 102 -14.378 9.013 -6.118 1.00 0.00 N ATOM 0 H LYS A 102 -9.769 8.577 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.150 7.420 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.611 6.952 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.308 6.595 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.661 9.063 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.003 9.337 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.118 9.721 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.712 8.026 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.904 7.308 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.320 8.731 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.385 8.759 -6.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.285 10.047 -6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.881 8.669 -6.964 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.928 5.127 -1.723 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.515 3.748 -1.491 1.00 0.00 C ATOM 1124 C ALA A 103 -9.226 3.503 -0.014 1.00 0.00 C ATOM 1125 O ALA A 103 -9.579 2.457 0.530 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.292 3.415 -2.333 1.00 0.00 C ATOM 0 H ALA A 103 -9.394 5.612 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.335 3.094 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.994 2.383 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.532 3.542 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.473 4.082 -2.064 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.583 4.473 0.627 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.246 4.360 2.041 1.00 0.00 C ATOM 1134 C GLN A 104 -9.502 4.184 2.888 1.00 0.00 C ATOM 1135 O GLN A 104 -9.621 3.223 3.647 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.474 5.597 2.504 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.206 5.623 4.000 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.123 7.032 4.553 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.822 7.379 5.506 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.267 7.853 3.958 1.00 0.00 N ATOM 0 H GLN A 104 -8.285 5.345 0.190 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.617 3.479 2.169 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.524 5.642 1.972 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.036 6.490 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.997 5.080 4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.273 5.100 4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.707 7.524 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.169 8.813 4.287 1.00 0.00 H new ATOM 1149 N SER A 105 -10.436 5.120 2.753 1.00 0.00 N ATOM 1150 CA SER A 105 -11.683 5.071 3.509 1.00 0.00 C ATOM 1151 C SER A 105 -12.636 4.037 2.917 1.00 0.00 C ATOM 1152 O SER A 105 -13.639 3.677 3.533 1.00 0.00 O ATOM 1153 CB SER A 105 -12.350 6.447 3.523 1.00 0.00 C ATOM 1154 OG SER A 105 -13.589 6.406 4.209 1.00 0.00 O ATOM 0 H SER A 105 -10.353 5.921 2.127 1.00 0.00 H new ATOM 0 HA SER A 105 -11.448 4.779 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.689 7.170 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.508 6.788 2.500 1.00 0.00 H new ATOM 0 HG SER A 105 -13.889 5.476 4.287 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.315 3.562 1.718 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.140 2.569 1.044 1.00 0.00 C ATOM 1162 C ALA A 106 -12.601 1.161 1.271 1.00 0.00 C ATOM 1163 O ALA A 106 -13.323 0.175 1.114 1.00 0.00 O ATOM 1164 CB ALA A 106 -13.220 2.871 -0.445 1.00 0.00 C ATOM 0 H ALA A 106 -11.489 3.850 1.194 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.143 2.619 1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.840 2.121 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.659 3.858 -0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.218 2.852 -0.875 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.328 1.073 1.641 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.691 -0.216 1.889 1.00 0.00 C ATOM 1172 C LEU A 107 -10.490 -0.445 3.384 1.00 0.00 C ATOM 1173 O LEU A 107 -10.737 -1.538 3.894 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.345 -0.289 1.165 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.408 -0.391 -0.359 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.017 -0.261 -0.961 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.052 -1.704 -0.780 1.00 0.00 C ATOM 0 H LEU A 107 -10.717 1.878 1.776 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.346 -0.998 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.766 0.597 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.797 -1.151 1.545 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.022 0.428 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.082 -0.336 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.592 0.705 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.379 -1.059 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.088 -1.759 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.465 -2.537 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.065 -1.757 -0.380 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.042 0.594 4.082 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.811 0.507 5.519 1.00 0.00 C ATOM 1191 C HIS A 108 -11.022 -0.090 6.229 1.00 0.00 C ATOM 1192 O HIS A 108 -12.018 0.595 6.459 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.501 1.891 6.092 1.00 0.00 C ATOM 1194 CG HIS A 108 -8.984 1.855 7.497 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.694 1.487 7.815 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.591 2.146 8.671 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.530 1.551 9.124 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.666 1.949 9.667 1.00 0.00 N ATOM 0 H HIS A 108 -9.832 1.506 3.675 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.955 -0.147 5.685 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.765 2.382 5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.405 2.499 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.612 2.472 8.801 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.621 1.318 9.659 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.830 2.088 10.664 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.929 -1.371 6.573 1.00 0.00 N ATOM 1207 CA GLU A 109 -12.018 -2.060 7.255 1.00 0.00 C ATOM 1208 C GLU A 109 -13.230 -2.202 6.338 1.00 0.00 C ATOM 1209 O GLU A 109 -14.373 -2.093 6.783 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.412 -1.305 8.526 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.240 -1.011 9.447 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.664 -0.832 10.892 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.626 -1.507 11.315 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.034 -0.019 11.600 1.00 0.00 O ATOM 0 H GLU A 109 -10.111 -1.952 6.390 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.670 -3.057 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.889 -0.365 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.154 -1.889 9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.519 -1.826 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.733 -0.108 9.107 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.971 -2.444 5.058 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.040 -2.600 4.079 1.00 0.00 C ATOM 1223 C GLN A 110 -13.899 -3.917 3.323 1.00 0.00 C ATOM 1224 O GLN A 110 -14.876 -4.640 3.125 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.033 -1.430 3.093 1.00 0.00 C ATOM 1226 CG GLN A 110 -14.749 -0.193 3.612 1.00 0.00 C ATOM 1227 CD GLN A 110 -13.825 0.744 4.364 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -12.614 0.748 4.146 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -14.394 1.545 5.258 1.00 0.00 N ATOM 0 H GLN A 110 -12.030 -2.536 4.674 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.989 -2.609 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.001 -1.170 2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.502 -1.747 2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.198 0.341 2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.564 -0.498 4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.402 1.508 5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -13.822 2.197 5.796 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.677 -4.224 2.902 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.407 -5.454 2.168 1.00 0.00 C ATOM 1240 C LYS A 111 -11.812 -6.516 3.088 1.00 0.00 C ATOM 1241 O LYS A 111 -11.265 -6.202 4.145 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.451 -5.179 1.005 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.620 -6.139 -0.161 1.00 0.00 C ATOM 1244 CD LYS A 111 -12.851 -5.803 -0.985 1.00 0.00 C ATOM 1245 CE LYS A 111 -12.520 -4.839 -2.114 1.00 0.00 C ATOM 1246 NZ LYS A 111 -12.703 -3.419 -1.702 1.00 0.00 N ATOM 0 H LYS A 111 -11.857 -3.637 3.057 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.352 -5.827 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.606 -4.160 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.425 -5.238 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.735 -6.101 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.700 -7.159 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.274 -6.718 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.612 -5.363 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.490 -4.994 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.156 -5.053 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.915 -2.847 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -13.600 -3.059 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.722 -3.358 -0.664 1.00 0.00 H new ATOM 1260 N THR A 112 -11.922 -7.776 2.678 1.00 0.00 N ATOM 1261 CA THR A 112 -11.395 -8.884 3.464 1.00 0.00 C ATOM 1262 C THR A 112 -10.638 -9.873 2.584 1.00 0.00 C ATOM 1263 O THR A 112 -11.241 -10.720 1.924 1.00 0.00 O ATOM 1264 CB THR A 112 -12.519 -9.632 4.206 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.151 -8.756 5.147 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.972 -10.853 4.930 1.00 0.00 C ATOM 0 H THR A 112 -12.372 -8.054 1.806 1.00 0.00 H new ATOM 0 HA THR A 112 -10.710 -8.454 4.195 1.00 0.00 H new ATOM 0 HB THR A 112 -13.251 -9.965 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.865 -9.238 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.785 -11.364 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.518 -11.531 4.208 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.221 -10.540 5.656 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.315 -9.761 2.580 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.475 -10.646 1.780 1.00 0.00 C ATOM 1276 C LEU A 113 -8.733 -12.107 2.133 1.00 0.00 C ATOM 1277 O LEU A 113 -9.173 -12.437 3.234 1.00 0.00 O ATOM 1278 CB LEU A 113 -6.998 -10.311 1.996 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.514 -8.991 1.394 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.122 -8.650 1.905 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.523 -9.063 -0.126 1.00 0.00 C ATOM 0 H LEU A 113 -8.800 -9.066 3.121 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.726 -10.495 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.804 -10.291 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.398 -11.119 1.578 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.197 -8.200 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.794 -7.708 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.146 -8.556 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.427 -9.442 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.176 -8.115 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.863 -9.865 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.537 -9.260 -0.475 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.453 -13.005 1.177 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.645 -14.446 1.364 1.00 0.00 C ATOM 1295 C PRO A 114 -7.647 -15.041 2.352 1.00 0.00 C ATOM 1296 O PRO A 114 -6.445 -15.071 2.093 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.416 -15.019 -0.037 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.536 -14.026 -0.714 1.00 0.00 C ATOM 1299 CD PRO A 114 -7.926 -12.683 -0.160 1.00 0.00 C ATOM 0 HA PRO A 114 -9.627 -14.676 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.943 -16.000 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.357 -15.144 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.485 -14.239 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.672 -14.057 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.072 -12.008 -0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.677 -12.195 -0.781 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.155 -15.514 3.486 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.294 -16.102 4.496 1.00 0.00 C ATOM 1309 C GLY A 115 -6.998 -15.145 5.634 1.00 0.00 C ATOM 1310 O GLY A 115 -6.079 -15.371 6.421 1.00 0.00 O ATOM 0 H GLY A 115 -9.147 -15.501 3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.767 -17.000 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.357 -16.413 4.034 1.00 0.00 H new ATOM 1314 N MET A 116 -7.777 -14.071 5.720 1.00 0.00 N ATOM 1315 CA MET A 116 -7.592 -13.076 6.770 1.00 0.00 C ATOM 1316 C MET A 116 -8.901 -12.816 7.509 1.00 0.00 C ATOM 1317 O MET A 116 -9.738 -12.038 7.054 1.00 0.00 O ATOM 1318 CB MET A 116 -7.060 -11.770 6.177 1.00 0.00 C ATOM 1319 CG MET A 116 -5.576 -11.810 5.851 1.00 0.00 C ATOM 1320 SD MET A 116 -4.541 -11.828 7.327 1.00 0.00 S ATOM 1321 CE MET A 116 -3.714 -10.246 7.180 1.00 0.00 C ATOM 0 H MET A 116 -8.541 -13.868 5.076 1.00 0.00 H new ATOM 0 HA MET A 116 -6.864 -13.466 7.482 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.617 -11.540 5.269 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.247 -10.959 6.880 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.363 -12.695 5.252 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.318 -10.944 5.242 1.00 0.00 H new ATOM 0 HE1 MET A 116 -3.037 -10.110 8.023 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.146 -10.217 6.250 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.455 -9.447 7.177 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.071 -13.474 8.651 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.279 -13.315 9.453 1.00 0.00 C ATOM 1333 C ASN A 117 -10.660 -11.842 9.575 1.00 0.00 C ATOM 1334 O ASN A 117 -11.841 -11.500 9.640 1.00 0.00 O ATOM 1335 CB ASN A 117 -10.076 -13.918 10.844 1.00 0.00 C ATOM 1336 CG ASN A 117 -10.244 -15.425 10.851 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -11.346 -15.937 11.044 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -9.147 -16.143 10.640 1.00 0.00 N ATOM 0 H ASN A 117 -8.388 -14.122 9.042 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.091 -13.842 8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.079 -13.665 11.205 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.789 -13.472 11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -9.198 -17.162 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -8.254 -15.676 10.484 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.652 -10.976 9.605 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.882 -9.541 9.720 1.00 0.00 C ATOM 1347 C ARG A 118 -9.770 -8.862 8.358 1.00 0.00 C ATOM 1348 O ARG A 118 -9.109 -9.355 7.444 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.880 -8.920 10.696 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.226 -9.157 12.157 1.00 0.00 C ATOM 1351 CD ARG A 118 -8.216 -8.497 13.082 1.00 0.00 C ATOM 1352 NE ARG A 118 -8.491 -7.075 13.268 1.00 0.00 N ATOM 1353 CZ ARG A 118 -8.033 -6.366 14.294 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -7.280 -6.943 15.220 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -8.327 -5.076 14.394 1.00 0.00 N ATOM 0 H ARG A 118 -8.669 -11.243 9.551 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.892 -9.389 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.889 -9.328 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.826 -7.847 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -10.222 -8.765 12.365 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.257 -10.228 12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.229 -8.998 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.214 -8.622 12.672 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.066 -6.600 12.572 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.051 -7.934 15.146 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.930 -6.396 16.006 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.905 -4.628 13.683 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.975 -4.532 15.182 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.432 -7.704 8.219 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.422 -6.932 6.972 1.00 0.00 C ATOM 1371 C PRO A 119 -9.062 -6.302 6.691 1.00 0.00 C ATOM 1372 O PRO A 119 -8.099 -6.529 7.424 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.473 -5.847 7.219 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.519 -5.693 8.700 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.240 -7.058 9.267 1.00 0.00 C ATOM 0 HA PRO A 119 -10.630 -7.557 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.198 -4.911 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.445 -6.139 6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.778 -4.970 9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.493 -5.327 9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.699 -6.998 10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.161 -7.608 9.461 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.991 -5.512 5.625 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.749 -4.848 5.249 1.00 0.00 C ATOM 1385 C ILE A 120 -7.618 -3.495 5.939 1.00 0.00 C ATOM 1386 O ILE A 120 -8.576 -2.725 6.003 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.659 -4.646 3.725 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.435 -3.797 3.373 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.930 -3.996 3.200 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.154 -3.728 1.888 1.00 0.00 C ATOM 0 H ILE A 120 -9.778 -5.316 5.007 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.934 -5.497 5.570 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.551 -5.621 3.250 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.582 -2.786 3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.561 -4.205 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.850 -3.860 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.784 -4.635 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.067 -3.026 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.273 -3.110 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.975 -4.732 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.011 -3.292 1.375 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.425 -3.211 6.451 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.168 -1.949 7.135 1.00 0.00 C ATOM 1404 C GLN A 121 -5.252 -1.056 6.305 1.00 0.00 C ATOM 1405 O GLN A 121 -4.119 -1.426 5.997 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.542 -2.207 8.507 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.525 -2.746 9.533 1.00 0.00 C ATOM 1408 CD GLN A 121 -6.016 -2.614 10.955 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -6.566 -1.858 11.756 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -4.959 -3.350 11.276 1.00 0.00 N ATOM 0 H GLN A 121 -5.621 -3.837 6.405 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.121 -1.436 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.721 -2.916 8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.112 -1.278 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.471 -2.213 9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.728 -3.796 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.534 -3.963 10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.571 -3.302 12.218 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.751 0.122 5.944 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.977 1.069 5.149 1.00 0.00 C ATOM 1421 C VAL A 122 -5.042 2.469 5.747 1.00 0.00 C ATOM 1422 O VAL A 122 -6.123 3.030 5.929 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.478 1.120 3.694 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.544 1.962 2.837 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.613 -0.285 3.127 1.00 0.00 C ATOM 0 H VAL A 122 -6.687 0.444 6.189 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.944 0.721 5.158 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.463 1.587 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.914 1.987 1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.503 2.977 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.545 1.526 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.968 -0.230 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.643 -0.781 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.325 -0.852 3.726 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.877 3.031 6.052 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.799 4.368 6.628 1.00 0.00 C ATOM 1437 C LYS A 123 -2.697 5.185 5.960 1.00 0.00 C ATOM 1438 O LYS A 123 -1.706 4.648 5.465 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.543 4.283 8.134 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.390 3.366 8.504 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.526 2.844 9.924 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.408 1.872 10.271 1.00 0.00 C ATOM 1443 NZ LYS A 123 -0.120 2.576 10.524 1.00 0.00 N ATOM 0 H LYS A 123 -2.973 2.580 5.910 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.753 4.867 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.338 5.283 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.449 3.932 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.354 2.527 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.448 3.905 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -2.512 3.680 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.490 2.348 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.687 1.297 11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -1.279 1.161 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.582 2.281 9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.267 3.603 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 0.226 2.335 11.475 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.872 6.515 5.945 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.901 7.434 5.343 1.00 0.00 C ATOM 1459 C PRO A 124 -0.605 7.514 6.142 1.00 0.00 C ATOM 1460 O PRO A 124 -0.408 8.438 6.931 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.628 8.781 5.365 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.605 8.666 6.483 1.00 0.00 C ATOM 1463 CD PRO A 124 -4.029 7.224 6.516 1.00 0.00 C ATOM 0 HA PRO A 124 -1.599 7.113 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.932 9.604 5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.131 8.975 4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.152 8.961 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.461 9.321 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.243 6.891 7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.932 7.057 5.929 1.00 0.00 H new ATOM 1471 N ALA A 125 0.275 6.541 5.932 1.00 0.00 N ATOM 1472 CA ALA A 125 1.554 6.504 6.632 1.00 0.00 C ATOM 1473 C ALA A 125 2.085 7.911 6.880 1.00 0.00 C ATOM 1474 O ALA A 125 2.128 8.376 8.019 1.00 0.00 O ATOM 1475 CB ALA A 125 2.565 5.688 5.840 1.00 0.00 C ATOM 0 H ALA A 125 0.126 5.768 5.283 1.00 0.00 H new ATOM 0 HA ALA A 125 1.397 6.028 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.515 5.669 6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.196 4.670 5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.709 6.140 4.859 1.00 0.00 H new ATOM 1481 N ALA A 126 2.489 8.584 5.808 1.00 0.00 N ATOM 1482 CA ALA A 126 3.016 9.939 5.910 1.00 0.00 C ATOM 1483 C ALA A 126 1.943 10.972 5.583 1.00 0.00 C ATOM 1484 O ALA A 126 1.158 10.793 4.651 1.00 0.00 O ATOM 1485 CB ALA A 126 4.214 10.110 4.988 1.00 0.00 C ATOM 0 H ALA A 126 2.461 8.213 4.858 1.00 0.00 H new ATOM 0 HA ALA A 126 3.337 10.101 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 126 4.597 11.127 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 126 4.994 9.403 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 126 3.910 9.923 3.958 1.00 0.00 H new ATOM 1491 N SER A 127 1.913 12.053 6.356 1.00 0.00 N ATOM 1492 CA SER A 127 0.932 13.112 6.151 1.00 0.00 C ATOM 1493 C SER A 127 1.260 14.329 7.011 1.00 0.00 C ATOM 1494 O SER A 127 1.479 14.209 8.216 1.00 0.00 O ATOM 1495 CB SER A 127 -0.473 12.606 6.479 1.00 0.00 C ATOM 1496 OG SER A 127 -0.542 12.116 7.807 1.00 0.00 O ATOM 0 H SER A 127 2.557 12.218 7.130 1.00 0.00 H new ATOM 0 HA SER A 127 0.968 13.408 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 127 -1.193 13.414 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 127 -0.750 11.815 5.782 1.00 0.00 H new ATOM 0 HG SER A 127 0.031 12.660 8.387 1.00 0.00 H new ATOM 1502 N GLU A 128 1.291 15.500 6.382 1.00 0.00 N ATOM 1503 CA GLU A 128 1.593 16.739 7.090 1.00 0.00 C ATOM 1504 C GLU A 128 0.311 17.477 7.464 1.00 0.00 C ATOM 1505 O GLU A 128 0.067 17.764 8.635 1.00 0.00 O ATOM 1506 CB GLU A 128 2.481 17.640 6.229 1.00 0.00 C ATOM 1507 CG GLU A 128 3.914 17.147 6.109 1.00 0.00 C ATOM 1508 CD GLU A 128 4.732 17.423 7.356 1.00 0.00 C ATOM 1509 OE1 GLU A 128 4.241 17.123 8.465 1.00 0.00 O ATOM 1510 OE2 GLU A 128 5.861 17.938 7.223 1.00 0.00 O ATOM 0 H GLU A 128 1.111 15.617 5.385 1.00 0.00 H new ATOM 0 HA GLU A 128 2.126 16.484 8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.048 17.717 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.485 18.644 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.910 16.075 5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.389 17.627 5.254 1.00 0.00 H new ATOM 1517 N GLY A 129 -0.504 17.783 6.459 1.00 0.00 N ATOM 1518 CA GLY A 129 -1.750 18.486 6.702 1.00 0.00 C ATOM 1519 C GLY A 129 -2.766 17.629 7.432 1.00 0.00 C ATOM 1520 O GLY A 129 -2.469 16.501 7.825 1.00 0.00 O ATOM 0 H GLY A 129 -0.323 17.557 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -1.549 19.384 7.287 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -2.171 18.813 5.751 1.00 0.00 H new ATOM 1524 N ARG A 130 -3.968 18.166 7.614 1.00 0.00 N ATOM 1525 CA ARG A 130 -5.031 17.444 8.304 1.00 0.00 C ATOM 1526 C ARG A 130 -6.357 18.191 8.193 1.00 0.00 C ATOM 1527 O ARG A 130 -6.388 19.420 8.165 1.00 0.00 O ATOM 1528 CB ARG A 130 -4.668 17.244 9.777 1.00 0.00 C ATOM 1529 CG ARG A 130 -5.720 16.481 10.565 1.00 0.00 C ATOM 1530 CD ARG A 130 -5.447 16.540 12.060 1.00 0.00 C ATOM 1531 NE ARG A 130 -6.003 17.745 12.670 1.00 0.00 N ATOM 1532 CZ ARG A 130 -5.331 18.885 12.789 1.00 0.00 C ATOM 1533 NH1 ARG A 130 -4.086 18.975 12.342 1.00 0.00 N ATOM 1534 NH2 ARG A 130 -5.905 19.939 13.356 1.00 0.00 N ATOM 0 H ARG A 130 -4.230 19.098 7.293 1.00 0.00 H new ATOM 0 HA ARG A 130 -5.142 16.470 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -3.720 16.709 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -4.515 18.219 10.240 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -6.705 16.898 10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -5.738 15.441 10.238 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -5.873 15.660 12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -4.371 16.509 12.234 1.00 0.00 H new ATOM 0 HE ARG A 130 -6.959 17.709 13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -3.641 18.168 11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -3.573 19.852 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -6.863 19.874 13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -5.388 20.814 13.447 1.00 0.00 H new ATOM 1548 N GLY A 131 -7.451 17.438 8.129 1.00 0.00 N ATOM 1549 CA GLY A 131 -8.764 18.046 8.021 1.00 0.00 C ATOM 1550 C GLY A 131 -9.867 17.018 7.860 1.00 0.00 C ATOM 1551 O GLY A 131 -9.760 15.901 8.364 1.00 0.00 O ATOM 0 H GLY A 131 -7.451 16.418 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.958 18.646 8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.777 18.726 7.169 1.00 0.00 H new ATOM 1555 N GLU A 132 -10.930 17.398 7.158 1.00 0.00 N ATOM 1556 CA GLU A 132 -12.058 16.501 6.936 1.00 0.00 C ATOM 1557 C GLU A 132 -12.697 16.758 5.574 1.00 0.00 C ATOM 1558 O GLU A 132 -12.402 17.756 4.916 1.00 0.00 O ATOM 1559 CB GLU A 132 -13.102 16.674 8.041 1.00 0.00 C ATOM 1560 CG GLU A 132 -12.784 15.895 9.306 1.00 0.00 C ATOM 1561 CD GLU A 132 -12.681 14.402 9.061 1.00 0.00 C ATOM 1562 OE1 GLU A 132 -13.519 13.864 8.308 1.00 0.00 O ATOM 1563 OE2 GLU A 132 -11.760 13.771 9.622 1.00 0.00 O ATOM 0 H GLU A 132 -11.034 18.320 6.734 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.684 15.477 6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.186 17.732 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.074 16.357 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -11.845 16.256 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.558 16.085 10.050 1.00 0.00 H new ATOM 1570 N SER A 133 -13.572 15.848 5.156 1.00 0.00 N ATOM 1571 CA SER A 133 -14.250 15.973 3.871 1.00 0.00 C ATOM 1572 C SER A 133 -15.550 15.175 3.863 1.00 0.00 C ATOM 1573 O SER A 133 -15.697 14.199 4.597 1.00 0.00 O ATOM 1574 CB SER A 133 -13.336 15.494 2.741 1.00 0.00 C ATOM 1575 OG SER A 133 -13.090 14.102 2.840 1.00 0.00 O ATOM 0 H SER A 133 -13.828 15.017 5.689 1.00 0.00 H new ATOM 0 HA SER A 133 -14.490 17.025 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 133 -13.795 15.718 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 133 -12.392 16.037 2.778 1.00 0.00 H new ATOM 0 HG SER A 133 -12.505 13.820 2.106 1.00 0.00 H new ATOM 1581 N GLY A 134 -16.492 15.598 3.025 1.00 0.00 N ATOM 1582 CA GLY A 134 -17.768 14.913 2.936 1.00 0.00 C ATOM 1583 C GLY A 134 -17.931 14.159 1.631 1.00 0.00 C ATOM 1584 O GLY A 134 -17.347 14.515 0.607 1.00 0.00 O ATOM 0 H GLY A 134 -16.394 16.403 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -17.862 14.216 3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -18.575 15.639 3.036 1.00 0.00 H new ATOM 1588 N PRO A 135 -18.740 13.090 1.658 1.00 0.00 N ATOM 1589 CA PRO A 135 -18.997 12.261 0.476 1.00 0.00 C ATOM 1590 C PRO A 135 -19.831 12.989 -0.572 1.00 0.00 C ATOM 1591 O PRO A 135 -20.666 13.830 -0.241 1.00 0.00 O ATOM 1592 CB PRO A 135 -19.771 11.067 1.041 1.00 0.00 C ATOM 1593 CG PRO A 135 -20.417 11.587 2.280 1.00 0.00 C ATOM 1594 CD PRO A 135 -19.468 12.608 2.844 1.00 0.00 C ATOM 0 HA PRO A 135 -18.075 11.985 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -20.513 10.704 0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -19.106 10.232 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -21.385 12.035 2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -20.595 10.783 2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -20.000 13.417 3.345 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -18.793 12.167 3.578 1.00 0.00 H new ATOM 1602 N SER A 136 -19.599 12.659 -1.839 1.00 0.00 N ATOM 1603 CA SER A 136 -20.327 13.284 -2.937 1.00 0.00 C ATOM 1604 C SER A 136 -20.963 12.229 -3.837 1.00 0.00 C ATOM 1605 O SER A 136 -20.935 12.344 -5.062 1.00 0.00 O ATOM 1606 CB SER A 136 -19.391 14.174 -3.757 1.00 0.00 C ATOM 1607 OG SER A 136 -20.114 14.937 -4.707 1.00 0.00 O ATOM 0 H SER A 136 -18.913 11.963 -2.130 1.00 0.00 H new ATOM 0 HA SER A 136 -21.120 13.899 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 136 -18.843 14.841 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 136 -18.652 13.556 -4.268 1.00 0.00 H new ATOM 0 HG SER A 136 -20.663 14.340 -5.257 1.00 0.00 H new ATOM 1613 N SER A 137 -21.536 11.201 -3.220 1.00 0.00 N ATOM 1614 CA SER A 137 -22.176 10.123 -3.964 1.00 0.00 C ATOM 1615 C SER A 137 -23.534 10.564 -4.500 1.00 0.00 C ATOM 1616 O SER A 137 -24.344 11.140 -3.774 1.00 0.00 O ATOM 1617 CB SER A 137 -22.343 8.889 -3.074 1.00 0.00 C ATOM 1618 OG SER A 137 -23.013 7.849 -3.765 1.00 0.00 O ATOM 0 H SER A 137 -21.570 11.092 -2.206 1.00 0.00 H new ATOM 0 HA SER A 137 -21.536 9.869 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 137 -21.365 8.539 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 137 -22.905 9.156 -2.179 1.00 0.00 H new ATOM 0 HG SER A 137 -23.106 7.071 -3.176 1.00 0.00 H new ATOM 1624 N GLY A 138 -23.777 10.290 -5.779 1.00 0.00 N ATOM 1625 CA GLY A 138 -25.037 10.666 -6.392 1.00 0.00 C ATOM 1626 C GLY A 138 -26.217 9.925 -5.793 1.00 0.00 C ATOM 1627 O GLY A 138 -26.112 9.349 -4.710 1.00 0.00 O ATOM 0 H GLY A 138 -23.123 9.814 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -25.188 11.739 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -24.991 10.465 -7.462 1.00 0.00 H new TER 1631 GLY A 138