USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 667 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 79 THR OG1 : rot 116:sc= -0.176 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.0273 USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -0.252 F(o=0.075,f=2) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -165:sc= 2.21 (180deg=1.36) USER MOD Set 3.1: A 46 SER OG : rot 139:sc= 0.66 USER MOD Set 3.2: A 49 GLN : amide:sc= 0.255 X(o=0.91,f=0.43) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= -0.375 (180deg=-1.66!) USER MOD Single : A 26 MET CE :methyl 174:sc= -3.13! (180deg=-3.17!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.468) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0901) USER MOD Single : A 32 THR OG1 : rot -6:sc= 0.576 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -1 (180deg=-1.12) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0547) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -160:sc= -1.21 USER MOD Single : A 55 SER OG : rot -43:sc= 1.03 USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= 0.339 (180deg=0.174) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0.198 (180deg=0.15) USER MOD Single : A 60 SER OG : rot 62:sc= -0.403 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= 0.0744 F(o=-1.3,f=0.074) USER MOD Single : A 72 LYS NZ :NH3+ -155:sc= 0.812 (180deg=0.529) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 82 GLN : amide:sc= 0.00346 X(o=0.0035,f=-0.012) USER MOD Single : A 83 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-4.5!) USER MOD Single : A 86 HIS : no HE2:sc= 0.628 K(o=0.63,f=-3.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= -1.05 (180deg=-3.07!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 23 -12.647 19.484 8.860 1.00 0.00 N ATOM 2 CA PRO A 23 -11.688 19.275 7.746 1.00 0.00 C ATOM 3 C PRO A 23 -11.835 17.848 7.176 1.00 0.00 C ATOM 4 O PRO A 23 -12.278 16.933 7.884 1.00 0.00 O ATOM 5 CB PRO A 23 -10.259 19.536 8.277 1.00 0.00 C ATOM 6 CG PRO A 23 -10.443 19.444 9.763 1.00 0.00 C ATOM 7 CD PRO A 23 -11.860 19.929 10.036 1.00 0.00 C ATOM 0 HA PRO A 23 -11.894 19.968 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.548 18.796 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.886 20.514 7.974 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.306 18.420 10.111 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.711 20.059 10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.253 19.503 10.959 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.893 21.013 10.146 1.00 0.00 H new ATOM 15 N LYS A 24 -11.466 17.672 5.889 1.00 0.00 N ATOM 16 CA LYS A 24 -11.470 16.354 5.227 1.00 0.00 C ATOM 17 C LYS A 24 -10.259 15.517 5.692 1.00 0.00 C ATOM 18 O LYS A 24 -9.208 16.063 6.050 1.00 0.00 O ATOM 19 CB LYS A 24 -11.444 16.515 3.674 1.00 0.00 C ATOM 20 CG LYS A 24 -11.552 15.176 2.890 1.00 0.00 C ATOM 21 CD LYS A 24 -11.316 15.294 1.361 1.00 0.00 C ATOM 22 CE LYS A 24 -12.543 15.791 0.580 1.00 0.00 C ATOM 23 NZ LYS A 24 -12.969 17.168 0.947 1.00 0.00 N ATOM 0 H LYS A 24 -11.159 18.435 5.285 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.387 15.835 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.266 17.165 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.520 17.017 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.829 14.472 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.542 14.752 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.484 15.975 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.020 14.320 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.320 15.762 -0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.373 15.106 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.438 17.615 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.632 17.125 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.136 17.729 1.217 1.00 0.00 H new ATOM 37 N ILE A 25 -10.435 14.196 5.697 1.00 0.00 N ATOM 38 CA ILE A 25 -9.362 13.223 5.955 1.00 0.00 C ATOM 39 C ILE A 25 -8.669 12.871 4.608 1.00 0.00 C ATOM 40 O ILE A 25 -9.279 13.016 3.537 1.00 0.00 O ATOM 41 CB ILE A 25 -9.973 11.962 6.665 1.00 0.00 C ATOM 42 CG1 ILE A 25 -8.870 11.117 7.349 1.00 0.00 C ATOM 43 CG2 ILE A 25 -10.809 11.101 5.687 1.00 0.00 C ATOM 44 CD1 ILE A 25 -9.379 9.974 8.196 1.00 0.00 C ATOM 0 H ILE A 25 -11.340 13.760 5.520 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.604 13.638 6.619 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.650 12.323 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.211 10.715 6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.266 11.773 7.975 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.214 10.239 6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.628 11.698 5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.174 10.759 4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.535 9.441 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.013 10.365 8.992 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.957 9.290 7.575 1.00 0.00 H new ATOM 56 N MET A 26 -7.415 12.400 4.645 1.00 0.00 N ATOM 57 CA MET A 26 -6.624 12.184 3.415 1.00 0.00 C ATOM 58 C MET A 26 -7.024 10.836 2.767 1.00 0.00 C ATOM 59 O MET A 26 -6.686 9.759 3.271 1.00 0.00 O ATOM 60 CB MET A 26 -5.101 12.249 3.736 1.00 0.00 C ATOM 61 CG MET A 26 -4.195 12.218 2.508 1.00 0.00 C ATOM 62 SD MET A 26 -2.451 12.558 2.876 1.00 0.00 S ATOM 63 CE MET A 26 -1.963 11.076 3.755 1.00 0.00 C ATOM 0 H MET A 26 -6.924 12.161 5.506 1.00 0.00 H new ATOM 0 HA MET A 26 -6.838 12.976 2.697 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.899 13.161 4.298 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.843 11.411 4.384 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.273 11.239 2.035 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.554 12.950 1.785 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.890 11.103 3.947 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.500 11.021 4.702 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.202 10.200 3.152 1.00 0.00 H new ATOM 73 N LYS A 27 -7.797 10.931 1.664 1.00 0.00 N ATOM 74 CA LYS A 27 -8.356 9.768 0.945 1.00 0.00 C ATOM 75 C LYS A 27 -7.300 9.210 -0.038 1.00 0.00 C ATOM 76 O LYS A 27 -7.221 9.647 -1.194 1.00 0.00 O ATOM 77 CB LYS A 27 -9.652 10.189 0.171 1.00 0.00 C ATOM 78 CG LYS A 27 -10.628 11.105 0.953 1.00 0.00 C ATOM 79 CD LYS A 27 -11.286 10.427 2.173 1.00 0.00 C ATOM 80 CE LYS A 27 -12.225 9.274 1.787 1.00 0.00 C ATOM 81 NZ LYS A 27 -12.998 8.761 2.948 1.00 0.00 N ATOM 0 H LYS A 27 -8.052 11.825 1.245 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.618 8.991 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.357 10.700 -0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.187 9.287 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.088 11.990 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.410 11.447 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.507 10.048 2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.848 11.172 2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.916 9.614 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.640 8.462 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.303 7.785 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.399 8.777 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.833 9.361 3.101 1.00 0.00 H new ATOM 95 N VAL A 28 -6.472 8.273 0.433 1.00 0.00 N ATOM 96 CA VAL A 28 -5.352 7.739 -0.357 1.00 0.00 C ATOM 97 C VAL A 28 -5.784 6.475 -1.098 1.00 0.00 C ATOM 98 O VAL A 28 -6.005 5.429 -0.482 1.00 0.00 O ATOM 99 CB VAL A 28 -4.115 7.409 0.545 1.00 0.00 C ATOM 100 CG1 VAL A 28 -2.905 6.937 -0.301 1.00 0.00 C ATOM 101 CG2 VAL A 28 -3.757 8.610 1.441 1.00 0.00 C ATOM 0 H VAL A 28 -6.555 7.864 1.364 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.062 8.508 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.385 6.579 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.065 6.717 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.177 6.039 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.621 7.723 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.895 8.359 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.517 9.471 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.605 8.851 2.082 1.00 0.00 H new ATOM 111 N THR A 29 -5.880 6.578 -2.423 1.00 0.00 N ATOM 112 CA THR A 29 -6.177 5.436 -3.280 1.00 0.00 C ATOM 113 C THR A 29 -4.870 4.670 -3.529 1.00 0.00 C ATOM 114 O THR A 29 -3.834 5.270 -3.799 1.00 0.00 O ATOM 115 CB THR A 29 -6.809 5.912 -4.630 1.00 0.00 C ATOM 116 OG1 THR A 29 -7.971 6.706 -4.347 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.207 4.737 -5.547 1.00 0.00 C ATOM 0 H THR A 29 -5.754 7.454 -2.930 1.00 0.00 H new ATOM 0 HA THR A 29 -6.901 4.782 -2.794 1.00 0.00 H new ATOM 0 HB THR A 29 -6.055 6.495 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.372 7.010 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.640 5.125 -6.469 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.323 4.144 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.939 4.110 -5.038 1.00 0.00 H new ATOM 125 N VAL A 30 -4.901 3.355 -3.332 1.00 0.00 N ATOM 126 CA VAL A 30 -3.745 2.482 -3.559 1.00 0.00 C ATOM 127 C VAL A 30 -4.095 1.481 -4.664 1.00 0.00 C ATOM 128 O VAL A 30 -4.994 0.650 -4.509 1.00 0.00 O ATOM 129 CB VAL A 30 -3.314 1.760 -2.230 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.224 0.697 -2.468 1.00 0.00 C ATOM 131 CG2 VAL A 30 -2.845 2.790 -1.169 1.00 0.00 C ATOM 0 H VAL A 30 -5.732 2.859 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.890 3.077 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.195 1.241 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.961 0.227 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.599 -0.060 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.341 1.171 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.552 2.267 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.993 3.349 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.660 3.479 -0.945 1.00 0.00 H new ATOM 141 N LYS A 31 -3.379 1.596 -5.788 1.00 0.00 N ATOM 142 CA LYS A 31 -3.575 0.770 -6.988 1.00 0.00 C ATOM 143 C LYS A 31 -2.556 -0.369 -6.973 1.00 0.00 C ATOM 144 O LYS A 31 -1.430 -0.192 -6.508 1.00 0.00 O ATOM 145 CB LYS A 31 -3.418 1.672 -8.253 1.00 0.00 C ATOM 146 CG LYS A 31 -3.624 0.999 -9.644 1.00 0.00 C ATOM 147 CD LYS A 31 -2.337 0.356 -10.234 1.00 0.00 C ATOM 148 CE LYS A 31 -2.563 -0.267 -11.623 1.00 0.00 C ATOM 149 NZ LYS A 31 -2.942 0.753 -12.627 1.00 0.00 N ATOM 0 H LYS A 31 -2.630 2.281 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.573 0.333 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.127 2.496 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.419 2.108 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.393 0.231 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.999 1.745 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.557 1.114 -10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.975 -0.412 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.654 -0.775 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.346 -1.023 -11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.953 0.321 -13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.888 1.125 -12.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.252 1.531 -12.610 1.00 0.00 H new ATOM 163 N THR A 32 -2.963 -1.540 -7.480 1.00 0.00 N ATOM 164 CA THR A 32 -2.117 -2.735 -7.577 1.00 0.00 C ATOM 165 C THR A 32 -2.274 -3.362 -8.989 1.00 0.00 C ATOM 166 O THR A 32 -3.244 -3.044 -9.690 1.00 0.00 O ATOM 167 CB THR A 32 -2.513 -3.758 -6.460 1.00 0.00 C ATOM 168 OG1 THR A 32 -3.926 -3.979 -6.474 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.099 -3.288 -5.067 1.00 0.00 C ATOM 0 H THR A 32 -3.906 -1.685 -7.840 1.00 0.00 H new ATOM 0 HA THR A 32 -1.072 -2.462 -7.431 1.00 0.00 H new ATOM 0 HB THR A 32 -1.980 -4.684 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.346 -3.368 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.396 -4.033 -4.329 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.018 -3.156 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.587 -2.340 -4.843 1.00 0.00 H new ATOM 177 N PRO A 33 -1.323 -4.245 -9.452 1.00 0.00 N ATOM 178 CA PRO A 33 -1.456 -4.977 -10.756 1.00 0.00 C ATOM 179 C PRO A 33 -2.470 -6.155 -10.695 1.00 0.00 C ATOM 180 O PRO A 33 -2.276 -7.199 -11.335 1.00 0.00 O ATOM 181 CB PRO A 33 -0.010 -5.480 -10.998 1.00 0.00 C ATOM 182 CG PRO A 33 0.553 -5.678 -9.623 1.00 0.00 C ATOM 183 CD PRO A 33 -0.022 -4.561 -8.784 1.00 0.00 C ATOM 0 HA PRO A 33 -1.848 -4.346 -11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.003 -6.409 -11.567 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.573 -4.754 -11.565 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.275 -6.653 -9.222 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.642 -5.638 -9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.169 -4.873 -7.750 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.639 -3.694 -8.765 1.00 0.00 H new ATOM 191 N LYS A 34 -3.593 -5.934 -9.998 1.00 0.00 N ATOM 192 CA LYS A 34 -4.544 -6.991 -9.635 1.00 0.00 C ATOM 193 C LYS A 34 -5.909 -6.371 -9.284 1.00 0.00 C ATOM 194 O LYS A 34 -6.950 -6.903 -9.673 1.00 0.00 O ATOM 195 CB LYS A 34 -3.966 -7.841 -8.453 1.00 0.00 C ATOM 196 CG LYS A 34 -3.576 -7.021 -7.206 1.00 0.00 C ATOM 197 CD LYS A 34 -2.614 -7.742 -6.236 1.00 0.00 C ATOM 198 CE LYS A 34 -3.174 -9.067 -5.708 1.00 0.00 C ATOM 199 NZ LYS A 34 -4.495 -8.909 -5.055 1.00 0.00 N ATOM 0 H LYS A 34 -3.868 -5.009 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.694 -7.660 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.705 -8.588 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.088 -8.381 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.113 -6.089 -7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.484 -6.754 -6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.669 -7.931 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.397 -7.085 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.263 -9.774 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.470 -9.496 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.084 -9.742 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.365 -8.818 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.964 -8.056 -5.422 1.00 0.00 H new ATOM 213 N GLU A 35 -5.889 -5.226 -8.573 1.00 0.00 N ATOM 214 CA GLU A 35 -7.107 -4.532 -8.088 1.00 0.00 C ATOM 215 C GLU A 35 -6.746 -3.086 -7.681 1.00 0.00 C ATOM 216 O GLU A 35 -5.693 -2.575 -8.079 1.00 0.00 O ATOM 217 CB GLU A 35 -7.724 -5.335 -6.891 1.00 0.00 C ATOM 218 CG GLU A 35 -6.790 -5.485 -5.669 1.00 0.00 C ATOM 219 CD GLU A 35 -7.321 -6.425 -4.566 1.00 0.00 C ATOM 220 OE1 GLU A 35 -8.229 -6.027 -3.812 1.00 0.00 O ATOM 221 OE2 GLU A 35 -6.816 -7.561 -4.434 1.00 0.00 O ATOM 0 H GLU A 35 -5.024 -4.751 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.855 -4.482 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.641 -4.840 -6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.004 -6.328 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.824 -5.856 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.618 -4.499 -5.236 1.00 0.00 H new ATOM 228 N LYS A 36 -7.638 -2.416 -6.939 1.00 0.00 N ATOM 229 CA LYS A 36 -7.320 -1.153 -6.244 1.00 0.00 C ATOM 230 C LYS A 36 -8.271 -0.965 -5.058 1.00 0.00 C ATOM 231 O LYS A 36 -9.408 -1.444 -5.076 1.00 0.00 O ATOM 232 CB LYS A 36 -7.380 0.090 -7.190 1.00 0.00 C ATOM 233 CG LYS A 36 -8.780 0.443 -7.742 1.00 0.00 C ATOM 234 CD LYS A 36 -8.793 1.770 -8.548 1.00 0.00 C ATOM 235 CE LYS A 36 -7.927 1.721 -9.815 1.00 0.00 C ATOM 236 NZ LYS A 36 -8.396 0.681 -10.771 1.00 0.00 N ATOM 0 H LYS A 36 -8.599 -2.730 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.292 -1.226 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.994 0.954 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.711 -0.084 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.128 -0.368 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.483 0.520 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.820 2.007 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.442 2.579 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.943 2.696 -10.303 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.892 1.520 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.861 0.760 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.246 -0.262 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.409 0.818 -10.963 1.00 0.00 H new ATOM 250 N GLU A 37 -7.777 -0.271 -4.025 1.00 0.00 N ATOM 251 CA GLU A 37 -8.532 0.079 -2.811 1.00 0.00 C ATOM 252 C GLU A 37 -8.292 1.557 -2.458 1.00 0.00 C ATOM 253 O GLU A 37 -7.624 2.281 -3.204 1.00 0.00 O ATOM 254 CB GLU A 37 -8.104 -0.851 -1.631 1.00 0.00 C ATOM 255 CG GLU A 37 -8.616 -2.303 -1.730 1.00 0.00 C ATOM 256 CD GLU A 37 -10.151 -2.390 -1.679 1.00 0.00 C ATOM 257 OE1 GLU A 37 -10.740 -2.181 -0.602 1.00 0.00 O ATOM 258 OE2 GLU A 37 -10.789 -2.636 -2.709 1.00 0.00 O ATOM 0 H GLU A 37 -6.817 0.072 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.597 -0.065 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.015 -0.868 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.463 -0.418 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.261 -2.748 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.195 -2.890 -0.914 1.00 0.00 H new ATOM 265 N GLU A 38 -8.860 1.997 -1.323 1.00 0.00 N ATOM 266 CA GLU A 38 -8.646 3.347 -0.775 1.00 0.00 C ATOM 267 C GLU A 38 -8.579 3.266 0.760 1.00 0.00 C ATOM 268 O GLU A 38 -9.252 2.433 1.375 1.00 0.00 O ATOM 269 CB GLU A 38 -9.767 4.320 -1.227 1.00 0.00 C ATOM 270 CG GLU A 38 -9.573 5.779 -0.758 1.00 0.00 C ATOM 271 CD GLU A 38 -10.743 6.690 -1.138 1.00 0.00 C ATOM 272 OE1 GLU A 38 -10.726 7.273 -2.235 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.692 6.815 -0.343 1.00 0.00 O ATOM 0 H GLU A 38 -9.484 1.423 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.703 3.739 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.827 4.306 -2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.722 3.954 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.446 5.793 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.655 6.175 -1.192 1.00 0.00 H new ATOM 280 N PHE A 39 -7.751 4.135 1.360 1.00 0.00 N ATOM 281 CA PHE A 39 -7.502 4.183 2.806 1.00 0.00 C ATOM 282 C PHE A 39 -7.583 5.642 3.268 1.00 0.00 C ATOM 283 O PHE A 39 -6.807 6.488 2.810 1.00 0.00 O ATOM 284 CB PHE A 39 -6.104 3.592 3.144 1.00 0.00 C ATOM 285 CG PHE A 39 -5.906 2.172 2.624 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.431 1.082 3.314 1.00 0.00 C ATOM 287 CD2 PHE A 39 -5.244 1.937 1.422 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.288 -0.196 2.821 1.00 0.00 C ATOM 289 CE2 PHE A 39 -5.109 0.657 0.926 1.00 0.00 C ATOM 290 CZ PHE A 39 -5.630 -0.410 1.627 1.00 0.00 C ATOM 0 H PHE A 39 -7.225 4.838 0.841 1.00 0.00 H new ATOM 0 HA PHE A 39 -8.252 3.585 3.323 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.333 4.237 2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.967 3.598 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.955 1.241 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.830 2.768 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.692 -1.033 3.371 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.596 0.491 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.523 -1.413 1.242 1.00 0.00 H new ATOM 300 N ALA A 40 -8.532 5.924 4.158 1.00 0.00 N ATOM 301 CA ALA A 40 -8.736 7.259 4.719 1.00 0.00 C ATOM 302 C ALA A 40 -7.871 7.409 5.977 1.00 0.00 C ATOM 303 O ALA A 40 -8.089 6.713 6.971 1.00 0.00 O ATOM 304 CB ALA A 40 -10.221 7.450 5.028 1.00 0.00 C ATOM 0 H ALA A 40 -9.187 5.227 4.513 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.437 8.028 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.381 8.444 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.800 7.346 4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.543 6.697 5.748 1.00 0.00 H new ATOM 310 N VAL A 41 -6.874 8.299 5.908 1.00 0.00 N ATOM 311 CA VAL A 41 -5.819 8.442 6.933 1.00 0.00 C ATOM 312 C VAL A 41 -5.633 9.936 7.279 1.00 0.00 C ATOM 313 O VAL A 41 -5.728 10.774 6.394 1.00 0.00 O ATOM 314 CB VAL A 41 -4.466 7.798 6.439 1.00 0.00 C ATOM 315 CG1 VAL A 41 -4.592 6.261 6.322 1.00 0.00 C ATOM 316 CG2 VAL A 41 -3.990 8.404 5.099 1.00 0.00 C ATOM 0 H VAL A 41 -6.771 8.951 5.131 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.123 7.910 7.834 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.712 8.029 7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.645 5.843 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.843 5.841 7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.377 6.014 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.055 7.931 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.747 8.233 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.832 9.476 5.220 1.00 0.00 H new ATOM 326 N PRO A 42 -5.396 10.302 8.576 1.00 0.00 N ATOM 327 CA PRO A 42 -5.387 11.725 9.037 1.00 0.00 C ATOM 328 C PRO A 42 -4.042 12.456 8.772 1.00 0.00 C ATOM 329 O PRO A 42 -3.567 13.206 9.635 1.00 0.00 O ATOM 330 CB PRO A 42 -5.653 11.544 10.552 1.00 0.00 C ATOM 331 CG PRO A 42 -4.915 10.287 10.895 1.00 0.00 C ATOM 332 CD PRO A 42 -5.127 9.367 9.710 1.00 0.00 C ATOM 0 HA PRO A 42 -6.109 12.352 8.513 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.285 12.394 11.127 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.718 11.453 10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.855 10.484 11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.300 9.842 11.813 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.248 8.750 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.963 8.688 9.875 1.00 0.00 H new ATOM 340 N GLU A 43 -3.456 12.223 7.564 1.00 0.00 N ATOM 341 CA GLU A 43 -2.116 12.730 7.108 1.00 0.00 C ATOM 342 C GLU A 43 -0.971 12.548 8.144 1.00 0.00 C ATOM 343 O GLU A 43 0.112 13.128 7.997 1.00 0.00 O ATOM 344 CB GLU A 43 -2.198 14.206 6.587 1.00 0.00 C ATOM 345 CG GLU A 43 -2.432 15.291 7.661 1.00 0.00 C ATOM 346 CD GLU A 43 -2.507 16.705 7.085 1.00 0.00 C ATOM 347 OE1 GLU A 43 -3.596 17.116 6.628 1.00 0.00 O ATOM 348 OE2 GLU A 43 -1.478 17.420 7.088 1.00 0.00 O ATOM 0 H GLU A 43 -3.915 11.657 6.850 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.844 12.089 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.271 14.437 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.003 14.268 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.358 15.073 8.192 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.626 15.247 8.394 1.00 0.00 H new ATOM 355 N ASN A 44 -1.201 11.680 9.144 1.00 0.00 N ATOM 356 CA ASN A 44 -0.249 11.392 10.233 1.00 0.00 C ATOM 357 C ASN A 44 0.250 9.944 10.108 1.00 0.00 C ATOM 358 O ASN A 44 1.317 9.591 10.634 1.00 0.00 O ATOM 359 CB ASN A 44 -0.936 11.627 11.606 1.00 0.00 C ATOM 360 CG ASN A 44 0.009 11.424 12.803 1.00 0.00 C ATOM 361 OD1 ASN A 44 0.711 12.346 13.217 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.040 10.219 13.360 1.00 0.00 N ATOM 0 H ASN A 44 -2.069 11.149 9.220 1.00 0.00 H new ATOM 0 HA ASN A 44 0.608 12.061 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.336 12.641 11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.783 10.948 11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.657 10.039 14.152 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.553 9.473 12.996 1.00 0.00 H new ATOM 369 N SER A 45 -0.558 9.111 9.421 1.00 0.00 N ATOM 370 CA SER A 45 -0.220 7.726 9.105 1.00 0.00 C ATOM 371 C SER A 45 1.032 7.668 8.225 1.00 0.00 C ATOM 372 O SER A 45 0.957 7.915 7.031 1.00 0.00 O ATOM 373 CB SER A 45 -1.409 7.068 8.373 1.00 0.00 C ATOM 374 OG SER A 45 -2.613 7.232 9.111 1.00 0.00 O ATOM 0 H SER A 45 -1.473 9.394 9.070 1.00 0.00 H new ATOM 0 HA SER A 45 -0.015 7.188 10.030 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.521 7.510 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.209 6.006 8.227 1.00 0.00 H new ATOM 0 HG SER A 45 -3.269 6.565 8.819 1.00 0.00 H new ATOM 380 N SER A 46 2.185 7.403 8.846 1.00 0.00 N ATOM 381 CA SER A 46 3.439 7.139 8.127 1.00 0.00 C ATOM 382 C SER A 46 3.349 5.787 7.402 1.00 0.00 C ATOM 383 O SER A 46 2.454 5.006 7.701 1.00 0.00 O ATOM 384 CB SER A 46 4.608 7.155 9.123 1.00 0.00 C ATOM 385 OG SER A 46 4.390 6.249 10.189 1.00 0.00 O ATOM 0 H SER A 46 2.277 7.365 9.861 1.00 0.00 H new ATOM 0 HA SER A 46 3.608 7.914 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.532 6.896 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.736 8.162 9.520 1.00 0.00 H new ATOM 0 HG SER A 46 5.225 5.780 10.396 1.00 0.00 H new ATOM 391 N VAL A 47 4.285 5.506 6.479 1.00 0.00 N ATOM 392 CA VAL A 47 4.268 4.263 5.671 1.00 0.00 C ATOM 393 C VAL A 47 4.285 2.994 6.570 1.00 0.00 C ATOM 394 O VAL A 47 3.614 2.006 6.265 1.00 0.00 O ATOM 395 CB VAL A 47 5.466 4.254 4.656 1.00 0.00 C ATOM 396 CG1 VAL A 47 5.568 2.926 3.864 1.00 0.00 C ATOM 397 CG2 VAL A 47 5.382 5.477 3.701 1.00 0.00 C ATOM 0 H VAL A 47 5.069 6.124 6.269 1.00 0.00 H new ATOM 0 HA VAL A 47 3.336 4.243 5.106 1.00 0.00 H new ATOM 0 HB VAL A 47 6.383 4.332 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.413 2.976 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.713 2.098 4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.650 2.768 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.221 5.453 3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.446 5.439 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.420 6.397 4.284 1.00 0.00 H new ATOM 407 N GLN A 48 5.009 3.076 7.706 1.00 0.00 N ATOM 408 CA GLN A 48 5.076 2.010 8.736 1.00 0.00 C ATOM 409 C GLN A 48 3.694 1.752 9.400 1.00 0.00 C ATOM 410 O GLN A 48 3.405 0.631 9.821 1.00 0.00 O ATOM 411 CB GLN A 48 6.118 2.411 9.813 1.00 0.00 C ATOM 412 CG GLN A 48 6.494 1.326 10.847 1.00 0.00 C ATOM 413 CD GLN A 48 7.175 0.095 10.241 1.00 0.00 C ATOM 414 OE1 GLN A 48 7.044 -1.045 10.895 1.00 0.00 O flip ATOM 415 NE2 GLN A 48 7.834 0.170 9.205 1.00 0.00 N flip ATOM 0 H GLN A 48 5.572 3.894 7.940 1.00 0.00 H new ATOM 0 HA GLN A 48 5.376 1.083 8.248 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.029 2.728 9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.735 3.278 10.352 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.157 1.764 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.592 1.009 11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.920 1.062 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.295 -0.660 8.832 1.00 0.00 H new ATOM 424 N GLN A 49 2.864 2.803 9.499 1.00 0.00 N ATOM 425 CA GLN A 49 1.495 2.717 10.071 1.00 0.00 C ATOM 426 C GLN A 49 0.429 2.507 8.967 1.00 0.00 C ATOM 427 O GLN A 49 -0.685 2.055 9.245 1.00 0.00 O ATOM 428 CB GLN A 49 1.175 4.013 10.866 1.00 0.00 C ATOM 429 CG GLN A 49 2.158 4.323 12.011 1.00 0.00 C ATOM 430 CD GLN A 49 1.797 5.601 12.781 1.00 0.00 C ATOM 431 OE1 GLN A 49 1.071 5.561 13.776 1.00 0.00 O ATOM 432 NE2 GLN A 49 2.291 6.741 12.323 1.00 0.00 N ATOM 0 H GLN A 49 3.116 3.741 9.187 1.00 0.00 H new ATOM 0 HA GLN A 49 1.464 1.856 10.738 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.167 4.855 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.170 3.931 11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.178 3.481 12.703 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.163 4.423 11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.889 6.742 11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.073 7.618 12.796 1.00 0.00 H new ATOM 441 N PHE A 50 0.793 2.825 7.716 1.00 0.00 N ATOM 442 CA PHE A 50 -0.148 2.864 6.576 1.00 0.00 C ATOM 443 C PHE A 50 -0.272 1.485 5.912 1.00 0.00 C ATOM 444 O PHE A 50 -1.379 1.048 5.567 1.00 0.00 O ATOM 445 CB PHE A 50 0.311 3.940 5.553 1.00 0.00 C ATOM 446 CG PHE A 50 -0.611 4.094 4.343 1.00 0.00 C ATOM 447 CD1 PHE A 50 -1.875 4.656 4.485 1.00 0.00 C ATOM 448 CD2 PHE A 50 -0.218 3.670 3.075 1.00 0.00 C ATOM 449 CE1 PHE A 50 -2.718 4.785 3.400 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.060 3.801 1.991 1.00 0.00 C ATOM 451 CZ PHE A 50 -2.311 4.358 2.154 1.00 0.00 C ATOM 0 H PHE A 50 1.751 3.064 7.461 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.137 3.134 6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.385 4.901 6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.312 3.687 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.201 4.996 5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.760 3.233 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.698 5.221 3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.740 3.468 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.972 4.460 1.306 1.00 0.00 H new ATOM 461 N LYS A 51 0.876 0.801 5.748 1.00 0.00 N ATOM 462 CA LYS A 51 0.930 -0.529 5.104 1.00 0.00 C ATOM 463 C LYS A 51 0.276 -1.615 5.999 1.00 0.00 C ATOM 464 O LYS A 51 -0.023 -2.722 5.542 1.00 0.00 O ATOM 465 CB LYS A 51 2.389 -0.869 4.644 1.00 0.00 C ATOM 466 CG LYS A 51 3.277 -1.749 5.565 1.00 0.00 C ATOM 467 CD LYS A 51 3.538 -1.170 6.977 1.00 0.00 C ATOM 468 CE LYS A 51 4.721 -1.863 7.681 1.00 0.00 C ATOM 469 NZ LYS A 51 4.716 -1.662 9.149 1.00 0.00 N ATOM 0 H LYS A 51 1.785 1.149 6.054 1.00 0.00 H new ATOM 0 HA LYS A 51 0.331 -0.507 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.323 -1.366 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.913 0.073 4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.806 -2.726 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.236 -1.910 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.740 -0.102 6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.640 -1.281 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.690 -2.931 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.656 -1.482 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.645 -1.921 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.518 -0.664 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.982 -2.260 9.579 1.00 0.00 H new ATOM 483 N GLU A 52 0.092 -1.262 7.288 1.00 0.00 N ATOM 484 CA GLU A 52 -0.707 -2.027 8.263 1.00 0.00 C ATOM 485 C GLU A 52 -2.184 -2.122 7.809 1.00 0.00 C ATOM 486 O GLU A 52 -2.775 -3.202 7.801 1.00 0.00 O ATOM 487 CB GLU A 52 -0.629 -1.327 9.645 1.00 0.00 C ATOM 488 CG GLU A 52 0.790 -1.175 10.213 1.00 0.00 C ATOM 489 CD GLU A 52 1.397 -2.505 10.673 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.973 -3.027 11.720 1.00 0.00 O ATOM 491 OE2 GLU A 52 2.289 -3.037 9.992 1.00 0.00 O ATOM 0 H GLU A 52 0.504 -0.419 7.687 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.305 -3.038 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.079 -0.338 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.231 -1.892 10.357 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.434 -0.732 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.766 -0.483 11.054 1.00 0.00 H new ATOM 498 N GLU A 53 -2.757 -0.963 7.423 1.00 0.00 N ATOM 499 CA GLU A 53 -4.146 -0.870 6.912 1.00 0.00 C ATOM 500 C GLU A 53 -4.300 -1.662 5.604 1.00 0.00 C ATOM 501 O GLU A 53 -5.354 -2.251 5.336 1.00 0.00 O ATOM 502 CB GLU A 53 -4.557 0.618 6.709 1.00 0.00 C ATOM 503 CG GLU A 53 -4.588 1.449 8.009 1.00 0.00 C ATOM 504 CD GLU A 53 -5.589 0.899 9.047 1.00 0.00 C ATOM 505 OE1 GLU A 53 -6.805 1.173 8.923 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.173 0.166 9.975 1.00 0.00 O ATOM 0 H GLU A 53 -2.273 -0.066 7.456 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.813 -1.310 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.862 1.083 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.543 0.651 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.590 1.467 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.849 2.480 7.770 1.00 0.00 H new ATOM 513 N ILE A 54 -3.219 -1.672 4.818 1.00 0.00 N ATOM 514 CA ILE A 54 -3.136 -2.396 3.545 1.00 0.00 C ATOM 515 C ILE A 54 -3.131 -3.932 3.750 1.00 0.00 C ATOM 516 O ILE A 54 -3.791 -4.651 2.999 1.00 0.00 O ATOM 517 CB ILE A 54 -1.848 -1.960 2.752 1.00 0.00 C ATOM 518 CG1 ILE A 54 -1.891 -0.432 2.415 1.00 0.00 C ATOM 519 CG2 ILE A 54 -1.654 -2.801 1.476 1.00 0.00 C ATOM 520 CD1 ILE A 54 -0.671 0.093 1.675 1.00 0.00 C ATOM 0 H ILE A 54 -2.363 -1.169 5.052 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.025 -2.140 2.968 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.988 -2.143 3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.777 -0.232 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.004 0.127 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.755 -2.471 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.552 -3.852 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.518 -2.676 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.792 1.160 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.220 -0.069 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.566 -0.434 0.727 1.00 0.00 H new ATOM 532 N SER A 55 -2.384 -4.415 4.766 1.00 0.00 N ATOM 533 CA SER A 55 -2.135 -5.862 4.963 1.00 0.00 C ATOM 534 C SER A 55 -3.434 -6.643 5.243 1.00 0.00 C ATOM 535 O SER A 55 -3.718 -7.645 4.582 1.00 0.00 O ATOM 536 CB SER A 55 -1.104 -6.091 6.086 1.00 0.00 C ATOM 537 OG SER A 55 -1.523 -5.541 7.316 1.00 0.00 O ATOM 0 H SER A 55 -1.940 -3.821 5.467 1.00 0.00 H new ATOM 0 HA SER A 55 -1.724 -6.248 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.934 -7.161 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.151 -5.647 5.798 1.00 0.00 H new ATOM 0 HG SER A 55 -1.905 -4.652 7.163 1.00 0.00 H new ATOM 543 N LYS A 56 -4.222 -6.153 6.214 1.00 0.00 N ATOM 544 CA LYS A 56 -5.532 -6.743 6.567 1.00 0.00 C ATOM 545 C LYS A 56 -6.514 -6.652 5.375 1.00 0.00 C ATOM 546 O LYS A 56 -7.302 -7.570 5.140 1.00 0.00 O ATOM 547 CB LYS A 56 -6.116 -6.028 7.824 1.00 0.00 C ATOM 548 CG LYS A 56 -6.378 -4.515 7.630 1.00 0.00 C ATOM 549 CD LYS A 56 -6.934 -3.807 8.887 1.00 0.00 C ATOM 550 CE LYS A 56 -7.284 -2.333 8.610 1.00 0.00 C ATOM 551 NZ LYS A 56 -7.633 -1.587 9.847 1.00 0.00 N ATOM 0 H LYS A 56 -3.974 -5.340 6.777 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.389 -7.798 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.051 -6.514 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.426 -6.162 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.447 -4.031 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.082 -4.381 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.824 -4.332 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.198 -3.861 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.438 -1.848 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.121 -2.287 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.374 -0.889 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.980 -2.252 10.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.789 -1.097 10.207 1.00 0.00 H new ATOM 565 N ARG A 57 -6.413 -5.541 4.613 1.00 0.00 N ATOM 566 CA ARG A 57 -7.286 -5.247 3.463 1.00 0.00 C ATOM 567 C ARG A 57 -7.090 -6.274 2.334 1.00 0.00 C ATOM 568 O ARG A 57 -8.053 -6.846 1.814 1.00 0.00 O ATOM 569 CB ARG A 57 -6.975 -3.825 2.933 1.00 0.00 C ATOM 570 CG ARG A 57 -7.863 -3.354 1.765 1.00 0.00 C ATOM 571 CD ARG A 57 -9.308 -3.091 2.197 1.00 0.00 C ATOM 572 NE ARG A 57 -9.398 -1.982 3.175 1.00 0.00 N ATOM 573 CZ ARG A 57 -10.265 -0.957 3.109 1.00 0.00 C ATOM 574 NH1 ARG A 57 -11.101 -0.847 2.086 1.00 0.00 N ATOM 575 NH2 ARG A 57 -10.284 -0.039 4.070 1.00 0.00 N ATOM 0 H ARG A 57 -5.715 -4.818 4.784 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.322 -5.304 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.078 -3.117 3.755 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.934 -3.793 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.443 -2.443 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.854 -4.109 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.911 -2.853 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.727 -3.997 2.635 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.750 -1.997 3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.090 -1.543 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.756 -0.066 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.640 -0.112 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.942 0.739 4.019 1.00 0.00 H new ATOM 589 N PHE A 58 -5.820 -6.491 1.977 1.00 0.00 N ATOM 590 CA PHE A 58 -5.418 -7.380 0.879 1.00 0.00 C ATOM 591 C PHE A 58 -5.146 -8.807 1.385 1.00 0.00 C ATOM 592 O PHE A 58 -4.730 -9.653 0.595 1.00 0.00 O ATOM 593 CB PHE A 58 -4.169 -6.807 0.158 1.00 0.00 C ATOM 594 CG PHE A 58 -4.444 -5.578 -0.724 1.00 0.00 C ATOM 595 CD1 PHE A 58 -4.570 -4.302 -0.175 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.548 -5.708 -2.109 1.00 0.00 C ATOM 597 CE1 PHE A 58 -4.797 -3.199 -0.983 1.00 0.00 C ATOM 598 CE2 PHE A 58 -4.774 -4.609 -2.913 1.00 0.00 C ATOM 599 CZ PHE A 58 -4.896 -3.354 -2.354 1.00 0.00 C ATOM 0 H PHE A 58 -5.031 -6.049 2.448 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.242 -7.434 0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.424 -6.540 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.732 -7.591 -0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.490 -4.172 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.450 -6.685 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.897 -2.218 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.856 -4.732 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.068 -2.495 -2.985 1.00 0.00 H new ATOM 609 N LYS A 59 -5.353 -9.061 2.703 1.00 0.00 N ATOM 610 CA LYS A 59 -5.170 -10.401 3.321 1.00 0.00 C ATOM 611 C LYS A 59 -3.729 -10.927 3.095 1.00 0.00 C ATOM 612 O LYS A 59 -3.484 -12.139 3.020 1.00 0.00 O ATOM 613 CB LYS A 59 -6.239 -11.381 2.759 1.00 0.00 C ATOM 614 CG LYS A 59 -7.697 -10.907 2.947 1.00 0.00 C ATOM 615 CD LYS A 59 -8.171 -10.942 4.413 1.00 0.00 C ATOM 616 CE LYS A 59 -9.626 -10.463 4.565 1.00 0.00 C ATOM 617 NZ LYS A 59 -10.564 -11.246 3.714 1.00 0.00 N ATOM 0 H LYS A 59 -5.651 -8.345 3.366 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.309 -10.321 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.053 -11.533 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.119 -12.349 3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.792 -9.890 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.355 -11.534 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.083 -11.958 4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.518 -10.314 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.928 -10.547 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.690 -9.408 4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.543 -10.972 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.367 -11.052 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.438 -12.261 3.902 1.00 0.00 H new ATOM 631 N SER A 60 -2.788 -9.978 3.023 1.00 0.00 N ATOM 632 CA SER A 60 -1.369 -10.228 2.747 1.00 0.00 C ATOM 633 C SER A 60 -0.528 -9.730 3.923 1.00 0.00 C ATOM 634 O SER A 60 -0.965 -8.858 4.664 1.00 0.00 O ATOM 635 CB SER A 60 -0.972 -9.502 1.449 1.00 0.00 C ATOM 636 OG SER A 60 -1.813 -9.877 0.371 1.00 0.00 O ATOM 0 H SER A 60 -2.998 -8.989 3.159 1.00 0.00 H new ATOM 0 HA SER A 60 -1.193 -11.296 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.030 -8.424 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.064 -9.734 1.202 1.00 0.00 H new ATOM 0 HG SER A 60 -2.737 -9.620 0.572 1.00 0.00 H new ATOM 642 N HIS A 61 0.663 -10.305 4.108 1.00 0.00 N ATOM 643 CA HIS A 61 1.600 -9.859 5.160 1.00 0.00 C ATOM 644 C HIS A 61 2.254 -8.529 4.735 1.00 0.00 C ATOM 645 O HIS A 61 2.524 -8.335 3.542 1.00 0.00 O ATOM 646 CB HIS A 61 2.666 -10.947 5.437 1.00 0.00 C ATOM 647 CG HIS A 61 2.092 -12.259 5.910 1.00 0.00 C ATOM 648 ND1 HIS A 61 2.086 -12.644 7.230 1.00 0.00 N ATOM 649 CD2 HIS A 61 1.507 -13.272 5.229 1.00 0.00 C ATOM 650 CE1 HIS A 61 1.524 -13.827 7.342 1.00 0.00 C ATOM 651 NE2 HIS A 61 1.165 -14.232 6.141 1.00 0.00 N ATOM 0 H HIS A 61 1.008 -11.083 3.545 1.00 0.00 H new ATOM 0 HA HIS A 61 1.051 -9.696 6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.240 -11.120 4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.364 -10.575 6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.341 -13.314 4.163 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.381 -14.374 8.262 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.707 -15.117 5.926 1.00 0.00 H new ATOM 660 N THR A 62 2.494 -7.626 5.714 1.00 0.00 N ATOM 661 CA THR A 62 3.079 -6.283 5.474 1.00 0.00 C ATOM 662 C THR A 62 4.436 -6.371 4.766 1.00 0.00 C ATOM 663 O THR A 62 4.725 -5.575 3.873 1.00 0.00 O ATOM 664 CB THR A 62 3.253 -5.484 6.810 1.00 0.00 C ATOM 665 OG1 THR A 62 3.841 -6.335 7.802 1.00 0.00 O ATOM 666 CG2 THR A 62 1.926 -4.926 7.338 1.00 0.00 C ATOM 0 H THR A 62 2.287 -7.807 6.696 1.00 0.00 H new ATOM 0 HA THR A 62 2.376 -5.755 4.829 1.00 0.00 H new ATOM 0 HB THR A 62 3.903 -4.635 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.952 -5.835 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.104 -4.381 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.495 -4.252 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.235 -5.748 7.527 1.00 0.00 H new ATOM 674 N ASP A 63 5.243 -7.357 5.184 1.00 0.00 N ATOM 675 CA ASP A 63 6.581 -7.617 4.624 1.00 0.00 C ATOM 676 C ASP A 63 6.511 -7.889 3.104 1.00 0.00 C ATOM 677 O ASP A 63 7.361 -7.417 2.345 1.00 0.00 O ATOM 678 CB ASP A 63 7.232 -8.812 5.368 1.00 0.00 C ATOM 679 CG ASP A 63 8.689 -9.082 4.942 1.00 0.00 C ATOM 680 OD1 ASP A 63 9.601 -8.394 5.442 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.926 -9.974 4.102 1.00 0.00 O ATOM 0 H ASP A 63 4.984 -8.004 5.928 1.00 0.00 H new ATOM 0 HA ASP A 63 7.196 -6.729 4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.205 -8.620 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.638 -9.708 5.190 1.00 0.00 H new ATOM 686 N GLN A 64 5.458 -8.607 2.677 1.00 0.00 N ATOM 687 CA GLN A 64 5.283 -9.042 1.274 1.00 0.00 C ATOM 688 C GLN A 64 4.948 -7.866 0.335 1.00 0.00 C ATOM 689 O GLN A 64 5.266 -7.903 -0.851 1.00 0.00 O ATOM 690 CB GLN A 64 4.159 -10.098 1.181 1.00 0.00 C ATOM 691 CG GLN A 64 4.379 -11.338 2.065 1.00 0.00 C ATOM 692 CD GLN A 64 3.257 -12.383 1.976 1.00 0.00 C ATOM 693 OE1 GLN A 64 2.019 -11.951 1.739 1.00 0.00 O flip ATOM 694 NE2 GLN A 64 3.502 -13.574 2.140 1.00 0.00 N flip ATOM 0 H GLN A 64 4.701 -8.904 3.293 1.00 0.00 H new ATOM 0 HA GLN A 64 6.232 -9.471 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.214 -9.631 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.063 -10.418 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.321 -11.808 1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.480 -11.018 3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.459 -13.878 2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.749 -14.260 2.096 1.00 0.00 H new ATOM 703 N LEU A 65 4.277 -6.838 0.874 1.00 0.00 N ATOM 704 CA LEU A 65 3.779 -5.694 0.082 1.00 0.00 C ATOM 705 C LEU A 65 4.670 -4.454 0.280 1.00 0.00 C ATOM 706 O LEU A 65 5.108 -4.164 1.396 1.00 0.00 O ATOM 707 CB LEU A 65 2.280 -5.437 0.433 1.00 0.00 C ATOM 708 CG LEU A 65 1.892 -5.240 1.944 1.00 0.00 C ATOM 709 CD1 LEU A 65 1.993 -3.767 2.395 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.495 -5.821 2.247 1.00 0.00 C ATOM 0 H LEU A 65 4.062 -6.772 1.869 1.00 0.00 H new ATOM 0 HA LEU A 65 3.832 -5.928 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.958 -4.549 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.700 -6.275 0.047 1.00 0.00 H new ATOM 0 HG LEU A 65 2.624 -5.798 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.714 -3.688 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.016 -3.416 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.320 -3.156 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.258 -5.668 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.250 -5.318 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.489 -6.888 2.025 1.00 0.00 H new ATOM 722 N VAL A 66 4.967 -3.749 -0.827 1.00 0.00 N ATOM 723 CA VAL A 66 5.815 -2.536 -0.833 1.00 0.00 C ATOM 724 C VAL A 66 5.148 -1.421 -1.661 1.00 0.00 C ATOM 725 O VAL A 66 4.594 -1.672 -2.739 1.00 0.00 O ATOM 726 CB VAL A 66 7.269 -2.830 -1.387 1.00 0.00 C ATOM 727 CG1 VAL A 66 8.081 -3.721 -0.414 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.215 -3.467 -2.801 1.00 0.00 C ATOM 0 H VAL A 66 4.623 -4.005 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 66 5.918 -2.206 0.201 1.00 0.00 H new ATOM 0 HB VAL A 66 7.783 -1.872 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.073 -3.901 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.175 -3.217 0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.567 -4.672 -0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.229 -3.657 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.665 -4.407 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.714 -2.786 -3.488 1.00 0.00 H new ATOM 738 N LEU A 67 5.187 -0.192 -1.122 1.00 0.00 N ATOM 739 CA LEU A 67 4.645 1.005 -1.780 1.00 0.00 C ATOM 740 C LEU A 67 5.704 1.617 -2.701 1.00 0.00 C ATOM 741 O LEU A 67 6.885 1.614 -2.369 1.00 0.00 O ATOM 742 CB LEU A 67 4.196 2.038 -0.715 1.00 0.00 C ATOM 743 CG LEU A 67 2.967 1.621 0.146 1.00 0.00 C ATOM 744 CD1 LEU A 67 2.722 2.624 1.284 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.696 1.460 -0.730 1.00 0.00 C ATOM 0 H LEU A 67 5.600 -0.001 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 67 3.779 0.722 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.035 2.234 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.963 2.976 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 67 3.191 0.652 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.858 2.307 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.600 2.665 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.534 3.612 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.855 1.169 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.471 2.406 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.869 0.692 -1.484 1.00 0.00 H new ATOM 757 N ILE A 68 5.260 2.099 -3.866 1.00 0.00 N ATOM 758 CA ILE A 68 6.105 2.768 -4.873 1.00 0.00 C ATOM 759 C ILE A 68 5.368 4.023 -5.357 1.00 0.00 C ATOM 760 O ILE A 68 4.166 3.978 -5.631 1.00 0.00 O ATOM 761 CB ILE A 68 6.457 1.859 -6.140 1.00 0.00 C ATOM 762 CG1 ILE A 68 7.291 0.579 -5.762 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.193 2.676 -7.240 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.475 -0.620 -5.288 1.00 0.00 C ATOM 0 H ILE A 68 4.281 2.036 -4.146 1.00 0.00 H new ATOM 0 HA ILE A 68 7.054 3.000 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 68 5.501 1.517 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.876 0.278 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.000 0.847 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.417 2.027 -8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.557 3.497 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.122 3.077 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.146 -1.447 -5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.911 -0.347 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.785 -0.924 -6.075 1.00 0.00 H new ATOM 776 N PHE A 69 6.106 5.126 -5.470 1.00 0.00 N ATOM 777 CA PHE A 69 5.600 6.390 -6.011 1.00 0.00 C ATOM 778 C PHE A 69 6.782 7.182 -6.576 1.00 0.00 C ATOM 779 O PHE A 69 7.866 7.184 -5.978 1.00 0.00 O ATOM 780 CB PHE A 69 4.864 7.194 -4.914 1.00 0.00 C ATOM 781 CG PHE A 69 4.103 8.417 -5.421 1.00 0.00 C ATOM 782 CD1 PHE A 69 2.804 8.287 -5.919 1.00 0.00 C ATOM 783 CD2 PHE A 69 4.672 9.692 -5.395 1.00 0.00 C ATOM 784 CE1 PHE A 69 2.102 9.387 -6.370 1.00 0.00 C ATOM 785 CE2 PHE A 69 3.968 10.786 -5.848 1.00 0.00 C ATOM 786 CZ PHE A 69 2.684 10.632 -6.335 1.00 0.00 C ATOM 0 H PHE A 69 7.085 5.169 -5.185 1.00 0.00 H new ATOM 0 HA PHE A 69 4.881 6.194 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.163 6.532 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.592 7.519 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.342 7.311 -5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.675 9.822 -5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.098 9.270 -6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.421 11.766 -5.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.136 11.493 -6.689 1.00 0.00 H new ATOM 796 N ALA A 70 6.560 7.824 -7.744 1.00 0.00 N ATOM 797 CA ALA A 70 7.571 8.615 -8.472 1.00 0.00 C ATOM 798 C ALA A 70 8.755 7.748 -8.967 1.00 0.00 C ATOM 799 O ALA A 70 9.795 8.276 -9.363 1.00 0.00 O ATOM 800 CB ALA A 70 8.046 9.816 -7.627 1.00 0.00 C ATOM 0 H ALA A 70 5.655 7.805 -8.214 1.00 0.00 H new ATOM 0 HA ALA A 70 7.090 9.009 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.791 10.382 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.196 10.460 -7.399 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.487 9.455 -6.698 1.00 0.00 H new ATOM 806 N GLY A 71 8.562 6.414 -8.983 1.00 0.00 N ATOM 807 CA GLY A 71 9.589 5.470 -9.439 1.00 0.00 C ATOM 808 C GLY A 71 10.379 4.822 -8.307 1.00 0.00 C ATOM 809 O GLY A 71 11.164 3.905 -8.562 1.00 0.00 O ATOM 0 H GLY A 71 7.695 5.968 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.113 4.688 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.281 5.992 -10.099 1.00 0.00 H new ATOM 813 N LYS A 72 10.170 5.265 -7.050 1.00 0.00 N ATOM 814 CA LYS A 72 10.963 4.797 -5.879 1.00 0.00 C ATOM 815 C LYS A 72 10.039 4.204 -4.801 1.00 0.00 C ATOM 816 O LYS A 72 8.864 4.557 -4.734 1.00 0.00 O ATOM 817 CB LYS A 72 11.832 5.971 -5.330 1.00 0.00 C ATOM 818 CG LYS A 72 11.054 7.203 -4.769 1.00 0.00 C ATOM 819 CD LYS A 72 10.755 7.122 -3.243 1.00 0.00 C ATOM 820 CE LYS A 72 12.040 7.059 -2.401 1.00 0.00 C ATOM 821 NZ LYS A 72 11.757 6.970 -0.951 1.00 0.00 N ATOM 0 H LYS A 72 9.454 5.952 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 72 11.637 3.999 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.473 5.582 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.487 6.315 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.631 8.106 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.112 7.301 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.169 7.990 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.146 6.241 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.631 6.196 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.644 7.945 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.566 7.345 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.907 7.526 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.599 5.976 -0.688 1.00 0.00 H new ATOM 835 N ILE A 73 10.594 3.322 -3.950 1.00 0.00 N ATOM 836 CA ILE A 73 9.836 2.669 -2.853 1.00 0.00 C ATOM 837 C ILE A 73 9.703 3.620 -1.640 1.00 0.00 C ATOM 838 O ILE A 73 10.661 4.308 -1.268 1.00 0.00 O ATOM 839 CB ILE A 73 10.438 1.264 -2.403 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.800 1.369 -1.620 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.579 0.319 -3.623 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.992 1.868 -2.420 1.00 0.00 C ATOM 0 H ILE A 73 11.573 3.040 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 73 8.846 2.456 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 73 9.723 0.845 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.656 2.033 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.043 0.385 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.992 -0.636 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.599 0.157 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.245 0.771 -4.358 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.873 1.899 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.176 1.195 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.783 2.869 -2.798 1.00 0.00 H new ATOM 854 N LEU A 74 8.497 3.665 -1.052 1.00 0.00 N ATOM 855 CA LEU A 74 8.161 4.566 0.066 1.00 0.00 C ATOM 856 C LEU A 74 8.473 3.885 1.398 1.00 0.00 C ATOM 857 O LEU A 74 8.100 2.725 1.609 1.00 0.00 O ATOM 858 CB LEU A 74 6.662 4.968 0.009 1.00 0.00 C ATOM 859 CG LEU A 74 6.126 5.464 -1.372 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.665 5.952 -1.251 1.00 0.00 C ATOM 861 CD2 LEU A 74 7.047 6.550 -1.988 1.00 0.00 C ATOM 0 H LEU A 74 7.719 3.072 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 74 8.765 5.469 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.066 4.109 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.491 5.755 0.744 1.00 0.00 H new ATOM 0 HG LEU A 74 6.137 4.617 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.313 6.293 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.035 5.133 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.614 6.775 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.641 6.870 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.102 7.405 -1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.046 6.139 -2.135 1.00 0.00 H new ATOM 873 N LYS A 75 9.158 4.607 2.287 1.00 0.00 N ATOM 874 CA LYS A 75 9.542 4.107 3.621 1.00 0.00 C ATOM 875 C LYS A 75 8.982 5.042 4.698 1.00 0.00 C ATOM 876 O LYS A 75 8.523 6.136 4.378 1.00 0.00 O ATOM 877 CB LYS A 75 11.090 3.993 3.727 1.00 0.00 C ATOM 878 CG LYS A 75 11.753 3.122 2.629 1.00 0.00 C ATOM 879 CD LYS A 75 11.233 1.669 2.596 1.00 0.00 C ATOM 880 CE LYS A 75 11.492 0.916 3.904 1.00 0.00 C ATOM 881 NZ LYS A 75 11.023 -0.485 3.832 1.00 0.00 N ATOM 0 H LYS A 75 9.467 5.562 2.106 1.00 0.00 H new ATOM 0 HA LYS A 75 9.123 3.112 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.518 4.995 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.344 3.579 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.580 3.583 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.831 3.110 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.162 1.676 2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.711 1.136 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.559 0.931 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.987 1.427 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.215 -0.962 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.000 -0.499 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.523 -0.980 3.066 1.00 0.00 H new ATOM 895 N ASP A 76 9.020 4.595 5.968 1.00 0.00 N ATOM 896 CA ASP A 76 8.491 5.351 7.135 1.00 0.00 C ATOM 897 C ASP A 76 9.048 6.790 7.189 1.00 0.00 C ATOM 898 O ASP A 76 8.300 7.745 7.429 1.00 0.00 O ATOM 899 CB ASP A 76 8.843 4.594 8.445 1.00 0.00 C ATOM 900 CG ASP A 76 8.482 5.366 9.731 1.00 0.00 C ATOM 901 OD1 ASP A 76 7.288 5.499 10.040 1.00 0.00 O ATOM 902 OD2 ASP A 76 9.393 5.857 10.430 1.00 0.00 O ATOM 0 H ASP A 76 9.421 3.692 6.222 1.00 0.00 H new ATOM 0 HA ASP A 76 7.409 5.424 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.323 3.636 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.911 4.377 8.451 1.00 0.00 H new ATOM 907 N GLN A 77 10.353 6.916 6.897 1.00 0.00 N ATOM 908 CA GLN A 77 11.094 8.192 6.975 1.00 0.00 C ATOM 909 C GLN A 77 10.586 9.217 5.930 1.00 0.00 C ATOM 910 O GLN A 77 10.707 10.429 6.133 1.00 0.00 O ATOM 911 CB GLN A 77 12.615 7.925 6.794 1.00 0.00 C ATOM 912 CG GLN A 77 13.005 7.314 5.428 1.00 0.00 C ATOM 913 CD GLN A 77 14.494 6.986 5.282 1.00 0.00 C ATOM 914 OE1 GLN A 77 15.170 6.631 6.243 1.00 0.00 O ATOM 915 NE2 GLN A 77 15.016 7.096 4.073 1.00 0.00 N ATOM 0 H GLN A 77 10.931 6.131 6.597 1.00 0.00 H new ATOM 0 HA GLN A 77 10.920 8.628 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.153 8.864 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.949 7.254 7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.428 6.402 5.274 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.720 8.009 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.433 7.393 3.291 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.002 6.884 3.922 1.00 0.00 H new ATOM 924 N ASP A 78 10.013 8.707 4.826 1.00 0.00 N ATOM 925 CA ASP A 78 9.430 9.516 3.738 1.00 0.00 C ATOM 926 C ASP A 78 7.947 9.147 3.551 1.00 0.00 C ATOM 927 O ASP A 78 7.581 8.249 2.776 1.00 0.00 O ATOM 928 CB ASP A 78 10.253 9.360 2.428 1.00 0.00 C ATOM 929 CG ASP A 78 10.504 7.897 1.990 1.00 0.00 C ATOM 930 OD1 ASP A 78 11.362 7.231 2.591 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.868 7.417 1.030 1.00 0.00 O ATOM 0 H ASP A 78 9.940 7.703 4.661 1.00 0.00 H new ATOM 0 HA ASP A 78 9.476 10.571 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.733 9.881 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.215 9.856 2.559 1.00 0.00 H new ATOM 936 N THR A 79 7.101 9.859 4.302 1.00 0.00 N ATOM 937 CA THR A 79 5.657 9.612 4.364 1.00 0.00 C ATOM 938 C THR A 79 4.993 9.931 3.022 1.00 0.00 C ATOM 939 O THR A 79 5.436 10.823 2.300 1.00 0.00 O ATOM 940 CB THR A 79 4.989 10.451 5.501 1.00 0.00 C ATOM 941 OG1 THR A 79 5.220 11.855 5.291 1.00 0.00 O ATOM 942 CG2 THR A 79 5.535 10.048 6.877 1.00 0.00 C ATOM 0 H THR A 79 7.404 10.634 4.892 1.00 0.00 H new ATOM 0 HA THR A 79 5.514 8.554 4.586 1.00 0.00 H new ATOM 0 HB THR A 79 3.918 10.250 5.474 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.365 12.307 5.133 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.053 10.647 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 79 5.329 8.993 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.611 10.217 6.905 1.00 0.00 H new ATOM 950 N LEU A 80 3.937 9.169 2.712 1.00 0.00 N ATOM 951 CA LEU A 80 3.104 9.333 1.504 1.00 0.00 C ATOM 952 C LEU A 80 2.701 10.808 1.280 1.00 0.00 C ATOM 953 O LEU A 80 2.874 11.348 0.187 1.00 0.00 O ATOM 954 CB LEU A 80 1.843 8.392 1.551 1.00 0.00 C ATOM 955 CG LEU A 80 0.788 8.559 2.713 1.00 0.00 C ATOM 956 CD1 LEU A 80 -0.406 7.606 2.520 1.00 0.00 C ATOM 957 CD2 LEU A 80 1.398 8.351 4.105 1.00 0.00 C ATOM 0 H LEU A 80 3.626 8.400 3.306 1.00 0.00 H new ATOM 0 HA LEU A 80 3.710 9.034 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.311 8.513 0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.204 7.364 1.584 1.00 0.00 H new ATOM 0 HG LEU A 80 0.440 9.590 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.116 7.743 3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.896 7.824 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.052 6.575 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.626 8.478 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.812 7.345 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.190 9.082 4.268 1.00 0.00 H new ATOM 969 N SER A 81 2.233 11.449 2.354 1.00 0.00 N ATOM 970 CA SER A 81 1.805 12.853 2.365 1.00 0.00 C ATOM 971 C SER A 81 2.966 13.838 2.041 1.00 0.00 C ATOM 972 O SER A 81 2.747 14.870 1.387 1.00 0.00 O ATOM 973 CB SER A 81 1.197 13.130 3.748 1.00 0.00 C ATOM 974 OG SER A 81 2.079 12.728 4.789 1.00 0.00 O ATOM 0 H SER A 81 2.138 10.996 3.263 1.00 0.00 H new ATOM 0 HA SER A 81 1.068 13.018 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.977 14.193 3.845 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.250 12.599 3.845 1.00 0.00 H new ATOM 0 HG SER A 81 1.667 12.917 5.658 1.00 0.00 H new ATOM 980 N GLN A 82 4.191 13.486 2.494 1.00 0.00 N ATOM 981 CA GLN A 82 5.443 14.233 2.183 1.00 0.00 C ATOM 982 C GLN A 82 5.785 14.143 0.671 1.00 0.00 C ATOM 983 O GLN A 82 6.421 15.048 0.119 1.00 0.00 O ATOM 984 CB GLN A 82 6.616 13.682 3.056 1.00 0.00 C ATOM 985 CG GLN A 82 7.955 14.453 2.969 1.00 0.00 C ATOM 986 CD GLN A 82 7.857 15.908 3.448 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.024 16.203 4.631 1.00 0.00 O ATOM 988 NE2 GLN A 82 7.604 16.829 2.533 1.00 0.00 N ATOM 0 H GLN A 82 4.345 12.672 3.089 1.00 0.00 H new ATOM 0 HA GLN A 82 5.292 15.286 2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.293 13.673 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.798 12.646 2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 82 8.704 13.932 3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.305 14.442 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.470 16.557 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.543 17.811 2.801 1.00 0.00 H new ATOM 997 N HIS A 83 5.334 13.060 0.003 1.00 0.00 N ATOM 998 CA HIS A 83 5.510 12.877 -1.467 1.00 0.00 C ATOM 999 C HIS A 83 4.421 13.614 -2.265 1.00 0.00 C ATOM 1000 O HIS A 83 4.466 13.640 -3.493 1.00 0.00 O ATOM 1001 CB HIS A 83 5.491 11.373 -1.848 1.00 0.00 C ATOM 1002 CG HIS A 83 6.613 10.579 -1.255 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.909 10.646 -1.716 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.633 9.718 -0.217 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.670 9.862 -0.985 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.915 9.291 -0.067 1.00 0.00 N ATOM 0 H HIS A 83 4.841 12.290 0.456 1.00 0.00 H new ATOM 0 HA HIS A 83 6.480 13.302 -1.723 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.544 10.940 -1.527 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.531 11.283 -2.934 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.786 9.422 0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.732 9.711 -1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.241 8.634 0.642 1.00 0.00 H new ATOM 1015 N GLY A 84 3.451 14.205 -1.549 1.00 0.00 N ATOM 1016 CA GLY A 84 2.311 14.879 -2.168 1.00 0.00 C ATOM 1017 C GLY A 84 1.170 13.930 -2.506 1.00 0.00 C ATOM 1018 O GLY A 84 0.324 14.248 -3.346 1.00 0.00 O ATOM 0 H GLY A 84 3.440 14.226 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.944 15.654 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.642 15.379 -3.078 1.00 0.00 H new ATOM 1022 N ILE A 85 1.140 12.762 -1.843 1.00 0.00 N ATOM 1023 CA ILE A 85 0.054 11.782 -1.999 1.00 0.00 C ATOM 1024 C ILE A 85 -1.053 12.138 -1.007 1.00 0.00 C ATOM 1025 O ILE A 85 -0.908 11.924 0.206 1.00 0.00 O ATOM 1026 CB ILE A 85 0.534 10.311 -1.748 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.786 9.975 -2.618 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -0.618 9.303 -2.006 1.00 0.00 C ATOM 1029 CD1 ILE A 85 2.491 8.693 -2.227 1.00 0.00 C ATOM 0 H ILE A 85 1.865 12.472 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.306 11.826 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 85 0.826 10.224 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.480 9.904 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.494 10.801 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.261 8.289 -1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.449 9.520 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.954 9.391 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.348 8.535 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.831 8.765 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.801 7.854 -2.324 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.124 12.738 -1.534 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.270 13.214 -0.746 1.00 0.00 C ATOM 1043 C HIS A 86 -4.580 12.638 -1.314 1.00 0.00 C ATOM 1044 O HIS A 86 -4.551 11.615 -2.017 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.271 14.769 -0.703 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.048 15.337 -0.035 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -1.781 15.161 1.303 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -0.982 15.995 -0.540 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -0.608 15.685 1.585 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -0.103 16.195 0.486 1.00 0.00 N ATOM 0 H HIS A 86 -2.223 12.910 -2.534 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.186 12.861 0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.336 15.156 -1.720 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.160 15.112 -0.174 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.396 14.697 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -0.849 16.306 -1.566 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.139 15.694 2.558 1.00 0.00 H new ATOM 1059 N ASP A 87 -5.724 13.267 -0.960 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.052 12.868 -1.457 1.00 0.00 C ATOM 1061 C ASP A 87 -7.117 13.003 -2.996 1.00 0.00 C ATOM 1062 O ASP A 87 -6.804 14.060 -3.551 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.185 13.679 -0.756 1.00 0.00 C ATOM 1064 CG ASP A 87 -8.201 15.187 -1.082 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -7.218 15.888 -0.766 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.198 15.682 -1.648 1.00 0.00 O ATOM 0 H ASP A 87 -5.748 14.063 -0.323 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.211 11.819 -1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.147 13.251 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.086 13.556 0.323 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.456 11.898 -3.677 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.508 11.858 -5.146 1.00 0.00 C ATOM 1073 C GLY A 88 -6.229 11.313 -5.783 1.00 0.00 C ATOM 1074 O GLY A 88 -6.248 10.894 -6.944 1.00 0.00 O ATOM 0 H GLY A 88 -7.700 11.014 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.351 11.241 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.693 12.864 -5.523 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.111 11.325 -5.030 1.00 0.00 N ATOM 1079 CA LEU A 89 -3.812 10.785 -5.501 1.00 0.00 C ATOM 1080 C LEU A 89 -3.765 9.270 -5.261 1.00 0.00 C ATOM 1081 O LEU A 89 -4.556 8.726 -4.470 1.00 0.00 O ATOM 1082 CB LEU A 89 -2.607 11.486 -4.795 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.303 12.970 -5.202 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.004 13.089 -6.708 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.431 13.928 -4.762 1.00 0.00 C ATOM 0 H LEU A 89 -5.079 11.706 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.727 10.986 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.784 11.460 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.712 10.893 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.403 13.276 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.798 14.130 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.136 12.478 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.866 12.744 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.182 14.946 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.367 13.629 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.542 13.887 -3.678 1.00 0.00 H new ATOM 1097 N THR A 90 -2.824 8.596 -5.946 1.00 0.00 N ATOM 1098 CA THR A 90 -2.734 7.131 -5.957 1.00 0.00 C ATOM 1099 C THR A 90 -1.273 6.652 -5.852 1.00 0.00 C ATOM 1100 O THR A 90 -0.378 7.204 -6.501 1.00 0.00 O ATOM 1101 CB THR A 90 -3.407 6.560 -7.249 1.00 0.00 C ATOM 1102 OG1 THR A 90 -4.750 7.079 -7.356 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.469 5.024 -7.244 1.00 0.00 C ATOM 0 H THR A 90 -2.106 9.055 -6.507 1.00 0.00 H new ATOM 0 HA THR A 90 -3.266 6.755 -5.083 1.00 0.00 H new ATOM 0 HB THR A 90 -2.799 6.869 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.174 6.725 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.944 4.676 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.459 4.619 -7.183 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.048 4.686 -6.385 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.061 5.616 -5.015 1.00 0.00 N ATOM 1112 CA VAL A 91 0.239 4.937 -4.846 1.00 0.00 C ATOM 1113 C VAL A 91 0.247 3.640 -5.679 1.00 0.00 C ATOM 1114 O VAL A 91 -0.811 3.042 -5.915 1.00 0.00 O ATOM 1115 CB VAL A 91 0.522 4.572 -3.330 1.00 0.00 C ATOM 1116 CG1 VAL A 91 2.014 4.225 -3.100 1.00 0.00 C ATOM 1117 CG2 VAL A 91 0.059 5.691 -2.376 1.00 0.00 C ATOM 0 H VAL A 91 -1.798 5.223 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 91 1.018 5.621 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.066 3.683 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.173 3.980 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.288 3.370 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.632 5.081 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.271 5.402 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.591 6.613 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.013 5.850 -2.495 1.00 0.00 H new ATOM 1127 N HIS A 92 1.434 3.225 -6.127 1.00 0.00 N ATOM 1128 CA HIS A 92 1.631 1.939 -6.817 1.00 0.00 C ATOM 1129 C HIS A 92 2.159 0.907 -5.813 1.00 0.00 C ATOM 1130 O HIS A 92 3.304 0.974 -5.391 1.00 0.00 O ATOM 1131 CB HIS A 92 2.617 2.100 -8.002 1.00 0.00 C ATOM 1132 CG HIS A 92 2.167 3.102 -9.025 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.507 2.756 -10.178 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.271 4.449 -9.049 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.222 3.841 -10.865 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.676 4.882 -10.201 1.00 0.00 N ATOM 0 H HIS A 92 2.290 3.769 -6.023 1.00 0.00 H new ATOM 0 HA HIS A 92 0.678 1.597 -7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.591 2.400 -7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.751 1.133 -8.487 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.738 5.069 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.704 3.872 -11.812 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.597 5.855 -10.498 1.00 0.00 H new ATOM 1145 N LEU A 93 1.310 -0.044 -5.448 1.00 0.00 N ATOM 1146 CA LEU A 93 1.640 -1.113 -4.496 1.00 0.00 C ATOM 1147 C LEU A 93 1.907 -2.415 -5.263 1.00 0.00 C ATOM 1148 O LEU A 93 1.168 -2.758 -6.198 1.00 0.00 O ATOM 1149 CB LEU A 93 0.466 -1.292 -3.513 1.00 0.00 C ATOM 1150 CG LEU A 93 0.590 -2.428 -2.447 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.653 -2.117 -1.384 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.772 -2.719 -1.796 1.00 0.00 C ATOM 0 H LEU A 93 0.357 -0.101 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 93 2.536 -0.852 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.321 -0.349 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.437 -1.474 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 93 0.920 -3.324 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.701 -2.936 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.624 -1.998 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.390 -1.195 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.660 -3.513 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.141 -1.818 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.482 -3.033 -2.562 1.00 0.00 H new ATOM 1164 N VAL A 94 2.975 -3.121 -4.877 1.00 0.00 N ATOM 1165 CA VAL A 94 3.355 -4.419 -5.463 1.00 0.00 C ATOM 1166 C VAL A 94 3.471 -5.442 -4.325 1.00 0.00 C ATOM 1167 O VAL A 94 4.333 -5.297 -3.443 1.00 0.00 O ATOM 1168 CB VAL A 94 4.716 -4.325 -6.269 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.123 -5.691 -6.877 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.645 -3.234 -7.370 1.00 0.00 C ATOM 0 H VAL A 94 3.609 -2.808 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 94 2.590 -4.728 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 94 5.488 -4.039 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.061 -5.582 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.250 -6.422 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.345 -6.032 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.594 -3.194 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.844 -3.474 -8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.447 -2.266 -6.910 1.00 0.00 H new ATOM 1180 N ILE A 95 2.575 -6.445 -4.321 1.00 0.00 N ATOM 1181 CA ILE A 95 2.500 -7.455 -3.252 1.00 0.00 C ATOM 1182 C ILE A 95 2.991 -8.806 -3.766 1.00 0.00 C ATOM 1183 O ILE A 95 2.505 -9.285 -4.797 1.00 0.00 O ATOM 1184 CB ILE A 95 1.032 -7.661 -2.724 1.00 0.00 C ATOM 1185 CG1 ILE A 95 0.315 -6.301 -2.488 1.00 0.00 C ATOM 1186 CG2 ILE A 95 1.044 -8.523 -1.428 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.092 -6.424 -1.946 1.00 0.00 C ATOM 0 H ILE A 95 1.883 -6.578 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 95 3.126 -7.086 -2.440 1.00 0.00 H new ATOM 0 HB ILE A 95 0.467 -8.193 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.909 -5.707 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.282 -5.753 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.023 -8.659 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.486 -9.496 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.632 -8.019 -0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.518 -5.430 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.704 -6.989 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.069 -6.942 -0.987 1.00 0.00 H new ATOM 1199 N LYS A 96 3.909 -9.435 -3.023 1.00 0.00 N ATOM 1200 CA LYS A 96 4.341 -10.809 -3.288 1.00 0.00 C ATOM 1201 C LYS A 96 3.454 -11.775 -2.468 1.00 0.00 C ATOM 1202 O LYS A 96 3.850 -12.270 -1.406 1.00 0.00 O ATOM 1203 CB LYS A 96 5.856 -10.973 -2.968 1.00 0.00 C ATOM 1204 CG LYS A 96 6.484 -12.308 -3.438 1.00 0.00 C ATOM 1205 CD LYS A 96 8.019 -12.402 -3.197 1.00 0.00 C ATOM 1206 CE LYS A 96 8.868 -11.548 -4.167 1.00 0.00 C ATOM 1207 NZ LYS A 96 8.720 -10.084 -3.967 1.00 0.00 N ATOM 0 H LYS A 96 4.372 -9.005 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 96 4.221 -11.049 -4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.401 -10.150 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.996 -10.882 -1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.994 -13.132 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.284 -12.438 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.234 -12.092 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.326 -13.444 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.918 -11.817 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.590 -11.795 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.633 -9.616 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.013 -9.712 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.410 -9.896 -2.992 1.00 0.00 H new ATOM 1221 N THR A 97 2.208 -11.945 -2.937 1.00 0.00 N ATOM 1222 CA THR A 97 1.256 -12.940 -2.403 1.00 0.00 C ATOM 1223 C THR A 97 0.583 -13.669 -3.579 1.00 0.00 C ATOM 1224 O THR A 97 0.817 -13.323 -4.742 1.00 0.00 O ATOM 1225 CB THR A 97 0.174 -12.272 -1.463 1.00 0.00 C ATOM 1226 OG1 THR A 97 -0.500 -13.265 -0.677 1.00 0.00 O ATOM 1227 CG2 THR A 97 -0.885 -11.463 -2.243 1.00 0.00 C ATOM 0 H THR A 97 1.827 -11.392 -3.705 1.00 0.00 H new ATOM 0 HA THR A 97 1.805 -13.656 -1.791 1.00 0.00 H new ATOM 0 HB THR A 97 0.723 -11.584 -0.820 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.164 -12.831 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.599 -11.029 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.395 -10.666 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.409 -12.122 -2.935 1.00 0.00 H new ATOM 1235 N GLN A 98 -0.243 -14.678 -3.270 1.00 0.00 N ATOM 1236 CA GLN A 98 -1.088 -15.364 -4.267 1.00 0.00 C ATOM 1237 C GLN A 98 -2.218 -16.123 -3.563 1.00 0.00 C ATOM 1238 O GLN A 98 -2.035 -16.590 -2.432 1.00 0.00 O ATOM 1239 CB GLN A 98 -0.263 -16.328 -5.165 1.00 0.00 C ATOM 1240 CG GLN A 98 0.402 -17.506 -4.427 1.00 0.00 C ATOM 1241 CD GLN A 98 1.075 -18.511 -5.366 1.00 0.00 C ATOM 1242 OE1 GLN A 98 0.649 -18.705 -6.505 1.00 0.00 O ATOM 1243 NE2 GLN A 98 2.107 -19.179 -4.884 1.00 0.00 N ATOM 0 H GLN A 98 -0.347 -15.044 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.516 -14.603 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.919 -16.728 -5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.513 -15.753 -5.671 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.145 -17.116 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.351 -18.024 -3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.436 -18.995 -3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.575 -19.879 -5.460 1.00 0.00 H new ATOM 1252 N ASN A 99 -3.375 -16.232 -4.253 1.00 0.00 N ATOM 1253 CA ASN A 99 -4.594 -16.927 -3.749 1.00 0.00 C ATOM 1254 C ASN A 99 -5.050 -16.362 -2.388 1.00 0.00 C ATOM 1255 O ASN A 99 -5.525 -17.095 -1.507 1.00 0.00 O ATOM 1256 CB ASN A 99 -4.385 -18.466 -3.705 1.00 0.00 C ATOM 1257 CG ASN A 99 -4.108 -19.051 -5.091 1.00 0.00 C ATOM 1258 OD1 ASN A 99 -5.035 -19.403 -5.820 1.00 0.00 O ATOM 1259 ND2 ASN A 99 -2.839 -19.154 -5.469 1.00 0.00 N ATOM 0 H ASN A 99 -3.496 -15.838 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.402 -16.732 -4.454 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.553 -18.699 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.272 -18.940 -3.283 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.610 -19.534 -6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.094 -18.853 -4.841 1.00 0.00 H new ATOM 1266 N ARG A 100 -4.902 -15.030 -2.248 1.00 0.00 N ATOM 1267 CA ARG A 100 -5.358 -14.284 -1.064 1.00 0.00 C ATOM 1268 C ARG A 100 -6.911 -14.238 -1.041 1.00 0.00 C ATOM 1269 O ARG A 100 -7.521 -13.996 -2.088 1.00 0.00 O ATOM 1270 CB ARG A 100 -4.756 -12.838 -1.065 1.00 0.00 C ATOM 1271 CG ARG A 100 -4.993 -12.023 -2.383 1.00 0.00 C ATOM 1272 CD ARG A 100 -5.612 -10.631 -2.155 1.00 0.00 C ATOM 1273 NE ARG A 100 -6.923 -10.707 -1.481 1.00 0.00 N ATOM 1274 CZ ARG A 100 -7.728 -9.657 -1.221 1.00 0.00 C ATOM 1275 NH1 ARG A 100 -7.439 -8.448 -1.675 1.00 0.00 N ATOM 1276 NH2 ARG A 100 -8.827 -9.834 -0.525 1.00 0.00 N ATOM 0 H ARG A 100 -4.462 -14.442 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.010 -14.792 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.183 -12.282 -0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.683 -12.907 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.042 -11.906 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.646 -12.597 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.932 -10.027 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.727 -10.125 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.246 -11.629 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.597 -8.300 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.059 -7.664 -1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.070 -10.764 -0.183 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.438 -9.042 -0.327 1.00 0.00 H new ATOM 1290 N PRO A 101 -7.573 -14.501 0.136 1.00 0.00 N ATOM 1291 CA PRO A 101 -9.057 -14.502 0.244 1.00 0.00 C ATOM 1292 C PRO A 101 -9.677 -13.069 0.109 1.00 0.00 C ATOM 1293 O PRO A 101 -9.881 -12.612 -1.030 1.00 0.00 O ATOM 1294 CB PRO A 101 -9.302 -15.173 1.630 1.00 0.00 C ATOM 1295 CG PRO A 101 -8.068 -14.870 2.428 1.00 0.00 C ATOM 1296 CD PRO A 101 -6.926 -14.859 1.433 1.00 0.00 C ATOM 1297 OXT PRO A 101 -9.947 -12.400 1.120 1.00 0.00 O ATOM 0 HA PRO A 101 -9.550 -15.040 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.193 -14.771 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.453 -16.248 1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.156 -13.908 2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.907 -15.622 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.163 -14.132 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.436 -15.831 1.379 1.00 0.00 H new TER 1305 PRO A 101