USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 76 MET CE :methyl -145:sc= -0.73 (180deg=-1.36!) USER MOD Set 1.2: A 80 THR OG1 : rot 117:sc= 0.342 USER MOD Set 1.3: A 91 THR OG1 : rot 176:sc= 1.71 USER MOD Set 2.1: A 72 CYS SG : rot -30:sc= -0.89 USER MOD Set 2.2: A 73 GLN : amide:sc= -2.96 K(o=-3.9,f=-4.6!) USER MOD Single : A 3 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.22) USER MOD Single : A 5 THR OG1 : rot -157:sc= 1.21 USER MOD Single : A 9 CYS SG : rot 93:sc= 0.0732 USER MOD Single : A 11 MET CE :methyl -154:sc= -0.147 (180deg=-1.02) USER MOD Single : A 12 ASN : amide:sc= 0.611 K(o=0.61,f=-0.0054) USER MOD Single : A 13 MET CE :methyl -172:sc= -5.22 (180deg=-5.48) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -55:sc= 0.254 USER MOD Single : A 37 SER OG : rot -39:sc= 0.0293 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 116:sc=0.000652 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc=-0.00149 (180deg=-0.187) USER MOD Single : A 67 THR OG1 : rot 70:sc= 1.05 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0.0031) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 156:sc= 1.24 USER MOD Single : A 98 SER OG : rot 180:sc= 0.041 USER MOD Single : A 99 TYR OH : rot -67:sc= 0.0216 USER MOD Single : A 100 HIS : no HD1:sc= -0.0922 X(o=-0.092,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.921 15.602 1.373 1.00 0.00 N ATOM 16 CA HIS A 3 11.832 16.524 1.072 1.00 0.00 C ATOM 17 C HIS A 3 10.464 15.833 1.227 1.00 0.00 C ATOM 18 O HIS A 3 10.383 14.602 1.162 1.00 0.00 O ATOM 19 CB HIS A 3 12.037 17.084 -0.345 1.00 0.00 C ATOM 20 CG HIS A 3 12.186 16.064 -1.445 1.00 0.00 C ATOM 21 ND1 HIS A 3 13.365 15.493 -1.872 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.202 15.664 -2.305 1.00 0.00 C ATOM 23 CE1 HIS A 3 13.095 14.747 -2.955 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.792 14.838 -3.264 1.00 0.00 N ATOM 0 HA HIS A 3 11.841 17.351 1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.191 17.727 -0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.926 17.715 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.158 15.937 -2.252 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.820 14.159 -3.498 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.322 14.389 -4.050 1.00 0.00 H new ATOM 32 N PRO A 4 9.375 16.598 1.431 1.00 0.00 N ATOM 33 CA PRO A 4 8.031 16.087 1.222 1.00 0.00 C ATOM 34 C PRO A 4 7.820 15.857 -0.274 1.00 0.00 C ATOM 35 O PRO A 4 8.258 16.681 -1.081 1.00 0.00 O ATOM 36 CB PRO A 4 7.080 17.177 1.706 1.00 0.00 C ATOM 37 CG PRO A 4 7.904 18.461 1.756 1.00 0.00 C ATOM 38 CD PRO A 4 9.362 18.023 1.718 1.00 0.00 C ATOM 0 HA PRO A 4 7.864 15.149 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.232 17.284 1.030 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.676 16.934 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.669 19.109 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.690 19.028 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.910 18.574 0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.850 18.228 2.671 1.00 0.00 H new ATOM 46 N THR A 5 7.094 14.806 -0.633 1.00 0.00 N ATOM 47 CA THR A 5 6.725 14.472 -2.010 1.00 0.00 C ATOM 48 C THR A 5 5.191 14.457 -2.093 1.00 0.00 C ATOM 49 O THR A 5 4.542 14.615 -1.060 1.00 0.00 O ATOM 50 CB THR A 5 7.373 13.124 -2.389 1.00 0.00 C ATOM 51 OG1 THR A 5 7.021 12.137 -1.446 1.00 0.00 O ATOM 52 CG2 THR A 5 8.899 13.166 -2.400 1.00 0.00 C ATOM 0 H THR A 5 6.732 14.137 0.047 1.00 0.00 H new ATOM 0 HA THR A 5 7.091 15.206 -2.728 1.00 0.00 H new ATOM 0 HB THR A 5 7.008 12.902 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.686 11.418 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.288 12.185 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.237 13.906 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.263 13.436 -1.409 1.00 0.00 H new ATOM 60 N GLU A 6 4.606 14.287 -3.285 1.00 0.00 N ATOM 61 CA GLU A 6 3.150 14.180 -3.482 1.00 0.00 C ATOM 62 C GLU A 6 2.599 12.780 -3.169 1.00 0.00 C ATOM 63 O GLU A 6 1.385 12.577 -3.226 1.00 0.00 O ATOM 64 CB GLU A 6 2.767 14.604 -4.916 1.00 0.00 C ATOM 65 CG GLU A 6 3.397 13.681 -5.969 1.00 0.00 C ATOM 66 CD GLU A 6 3.182 14.106 -7.423 1.00 0.00 C ATOM 67 OE1 GLU A 6 2.348 14.996 -7.706 1.00 0.00 O ATOM 68 OE2 GLU A 6 3.973 13.650 -8.281 1.00 0.00 O ATOM 0 H GLU A 6 5.136 14.219 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 6 2.689 14.861 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.682 14.590 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.091 15.630 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.469 13.620 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.992 12.677 -5.837 1.00 0.00 H new ATOM 75 N VAL A 7 3.457 11.803 -2.864 1.00 0.00 N ATOM 76 CA VAL A 7 3.011 10.464 -2.524 1.00 0.00 C ATOM 77 C VAL A 7 2.826 10.343 -1.009 1.00 0.00 C ATOM 78 O VAL A 7 2.993 11.315 -0.262 1.00 0.00 O ATOM 79 CB VAL A 7 3.909 9.393 -3.185 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.134 9.671 -4.683 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.259 9.170 -2.531 1.00 0.00 C ATOM 0 H VAL A 7 4.470 11.923 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 7 2.025 10.270 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 7 3.335 8.478 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.770 8.894 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.175 9.676 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.617 10.641 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.804 8.399 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.829 10.099 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.115 8.852 -1.499 1.00 0.00 H new ATOM 91 N LEU A 8 2.511 9.142 -0.540 1.00 0.00 N ATOM 92 CA LEU A 8 2.600 8.709 0.841 1.00 0.00 C ATOM 93 C LEU A 8 2.922 7.221 0.814 1.00 0.00 C ATOM 94 O LEU A 8 2.567 6.516 -0.134 1.00 0.00 O ATOM 95 CB LEU A 8 1.259 8.978 1.552 1.00 0.00 C ATOM 96 CG LEU A 8 1.334 10.154 2.540 1.00 0.00 C ATOM 97 CD1 LEU A 8 0.101 11.049 2.394 1.00 0.00 C ATOM 98 CD2 LEU A 8 1.420 9.633 3.973 1.00 0.00 C ATOM 0 H LEU A 8 2.167 8.403 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 8 3.373 9.250 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.492 9.185 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.950 8.080 2.086 1.00 0.00 H new ATOM 0 HG LEU A 8 2.227 10.737 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.167 11.877 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.054 11.440 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.797 10.467 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.473 10.475 4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.536 9.035 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.312 9.017 4.083 1.00 0.00 H new ATOM 110 N CYS A 9 3.535 6.715 1.875 1.00 0.00 N ATOM 111 CA CYS A 9 3.736 5.299 2.136 1.00 0.00 C ATOM 112 C CYS A 9 2.889 4.965 3.362 1.00 0.00 C ATOM 113 O CYS A 9 2.834 5.737 4.324 1.00 0.00 O ATOM 114 CB CYS A 9 5.238 5.035 2.296 1.00 0.00 C ATOM 115 SG CYS A 9 5.617 3.426 3.049 1.00 0.00 S ATOM 0 H CYS A 9 3.922 7.308 2.609 1.00 0.00 H new ATOM 0 HA CYS A 9 3.416 4.647 1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.714 5.090 1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.674 5.825 2.908 1.00 0.00 H new ATOM 0 HG CYS A 9 5.798 2.541 2.114 1.00 0.00 H new ATOM 121 N LEU A 10 2.198 3.831 3.305 1.00 0.00 N ATOM 122 CA LEU A 10 1.189 3.375 4.236 1.00 0.00 C ATOM 123 C LEU A 10 1.541 1.959 4.625 1.00 0.00 C ATOM 124 O LEU A 10 1.223 0.987 3.934 1.00 0.00 O ATOM 125 CB LEU A 10 -0.191 3.400 3.578 1.00 0.00 C ATOM 126 CG LEU A 10 -0.815 4.790 3.425 1.00 0.00 C ATOM 127 CD1 LEU A 10 -2.021 4.682 2.479 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.226 5.339 4.780 1.00 0.00 C ATOM 0 H LEU A 10 2.345 3.162 2.549 1.00 0.00 H new ATOM 0 HA LEU A 10 1.159 4.025 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.114 2.943 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.867 2.778 4.165 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.087 5.482 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.478 5.664 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.690 4.314 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.752 3.991 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.668 6.327 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.956 4.671 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.349 5.413 5.424 1.00 0.00 H new ATOM 140 N MET A 11 2.231 1.833 5.743 1.00 0.00 N ATOM 141 CA MET A 11 2.688 0.555 6.246 1.00 0.00 C ATOM 142 C MET A 11 1.589 -0.049 7.110 1.00 0.00 C ATOM 143 O MET A 11 0.771 0.687 7.672 1.00 0.00 O ATOM 144 CB MET A 11 3.973 0.799 7.038 1.00 0.00 C ATOM 145 CG MET A 11 5.095 1.300 6.097 1.00 0.00 C ATOM 146 SD MET A 11 6.615 1.848 6.910 1.00 0.00 S ATOM 147 CE MET A 11 5.962 3.154 7.988 1.00 0.00 C ATOM 0 H MET A 11 2.492 2.624 6.332 1.00 0.00 H new ATOM 0 HA MET A 11 2.903 -0.149 5.442 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.791 1.534 7.822 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.286 -0.122 7.530 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.345 0.499 5.402 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.704 2.126 5.504 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.748 3.880 8.197 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.130 3.653 7.492 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.616 2.714 8.923 1.00 0.00 H new ATOM 157 N ASN A 12 1.636 -1.375 7.271 1.00 0.00 N ATOM 158 CA ASN A 12 0.796 -2.156 8.184 1.00 0.00 C ATOM 159 C ASN A 12 -0.685 -2.143 7.785 1.00 0.00 C ATOM 160 O ASN A 12 -1.561 -2.170 8.650 1.00 0.00 O ATOM 161 CB ASN A 12 0.882 -1.655 9.628 1.00 0.00 C ATOM 162 CG ASN A 12 2.228 -1.320 10.224 1.00 0.00 C ATOM 163 OD1 ASN A 12 3.278 -1.847 9.862 1.00 0.00 O ATOM 164 ND2 ASN A 12 2.182 -0.421 11.182 1.00 0.00 N ATOM 0 H ASN A 12 2.288 -1.958 6.746 1.00 0.00 H new ATOM 0 HA ASN A 12 1.189 -3.170 8.114 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.262 -0.761 9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.424 -2.413 10.264 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.039 -0.136 11.656 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.289 -0.008 11.452 1.00 0.00 H new ATOM 171 N MET A 13 -0.985 -2.026 6.496 1.00 0.00 N ATOM 172 CA MET A 13 -2.296 -2.376 5.978 1.00 0.00 C ATOM 173 C MET A 13 -2.244 -3.895 5.820 1.00 0.00 C ATOM 174 O MET A 13 -2.575 -4.634 6.741 1.00 0.00 O ATOM 175 CB MET A 13 -2.538 -1.582 4.675 1.00 0.00 C ATOM 176 CG MET A 13 -3.948 -1.067 4.439 1.00 0.00 C ATOM 177 SD MET A 13 -3.912 0.472 3.471 1.00 0.00 S ATOM 178 CE MET A 13 -3.123 1.595 4.658 1.00 0.00 C ATOM 0 H MET A 13 -0.331 -1.689 5.789 1.00 0.00 H new ATOM 0 HA MET A 13 -3.140 -2.117 6.617 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.859 -0.730 4.665 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.263 -2.218 3.833 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.533 -1.821 3.912 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.442 -0.891 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.156 2.614 4.272 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.653 1.550 5.609 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.085 1.297 4.807 1.00 0.00 H new ATOM 188 N VAL A 14 -1.680 -4.328 4.699 1.00 0.00 N ATOM 189 CA VAL A 14 -1.822 -5.650 4.138 1.00 0.00 C ATOM 190 C VAL A 14 -0.682 -6.550 4.601 1.00 0.00 C ATOM 191 O VAL A 14 0.460 -6.100 4.789 1.00 0.00 O ATOM 192 CB VAL A 14 -1.895 -5.521 2.600 1.00 0.00 C ATOM 193 CG1 VAL A 14 -3.257 -4.949 2.190 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.782 -4.631 2.007 1.00 0.00 C ATOM 0 H VAL A 14 -1.081 -3.728 4.133 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.741 -6.121 4.487 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.756 -6.526 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.303 -4.860 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.049 -5.614 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.389 -3.965 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.892 -4.584 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.858 -3.627 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.192 -5.053 2.254 1.00 0.00 H new ATOM 204 N LEU A 15 -0.987 -7.831 4.777 1.00 0.00 N ATOM 205 CA LEU A 15 -0.015 -8.870 5.076 1.00 0.00 C ATOM 206 C LEU A 15 0.457 -9.520 3.764 1.00 0.00 C ATOM 207 O LEU A 15 -0.299 -9.572 2.792 1.00 0.00 O ATOM 208 CB LEU A 15 -0.646 -9.921 6.012 1.00 0.00 C ATOM 209 CG LEU A 15 -0.893 -9.511 7.478 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.362 -8.914 8.131 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.077 -8.569 7.698 1.00 0.00 C ATOM 0 H LEU A 15 -1.943 -8.182 4.713 1.00 0.00 H new ATOM 0 HA LEU A 15 0.847 -8.435 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.601 -10.225 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.002 -10.801 6.012 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.152 -10.452 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.140 -8.640 9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.165 -9.650 8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.673 -8.027 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.167 -8.340 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.916 -7.646 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.992 -9.048 7.351 1.00 0.00 H new ATOM 223 N PRO A 16 1.665 -10.113 3.724 1.00 0.00 N ATOM 224 CA PRO A 16 2.185 -10.804 2.539 1.00 0.00 C ATOM 225 C PRO A 16 1.450 -12.120 2.218 1.00 0.00 C ATOM 226 O PRO A 16 1.852 -12.840 1.306 1.00 0.00 O ATOM 227 CB PRO A 16 3.673 -11.035 2.837 1.00 0.00 C ATOM 228 CG PRO A 16 3.712 -11.156 4.360 1.00 0.00 C ATOM 229 CD PRO A 16 2.653 -10.145 4.797 1.00 0.00 C ATOM 0 HA PRO A 16 2.029 -10.202 1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.045 -11.938 2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.287 -10.207 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.472 -12.166 4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.696 -10.913 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.195 -10.442 5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.093 -9.160 4.952 1.00 0.00 H new ATOM 237 N GLU A 17 0.395 -12.455 2.959 1.00 0.00 N ATOM 238 CA GLU A 17 -0.332 -13.714 2.892 1.00 0.00 C ATOM 239 C GLU A 17 -1.832 -13.496 2.633 1.00 0.00 C ATOM 240 O GLU A 17 -2.584 -14.466 2.620 1.00 0.00 O ATOM 241 CB GLU A 17 -0.008 -14.552 4.146 1.00 0.00 C ATOM 242 CG GLU A 17 -0.479 -13.942 5.478 1.00 0.00 C ATOM 243 CD GLU A 17 0.201 -14.580 6.701 1.00 0.00 C ATOM 244 OE1 GLU A 17 -0.008 -15.789 6.953 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.944 -13.876 7.428 1.00 0.00 O ATOM 0 H GLU A 17 0.007 -11.820 3.657 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.000 -14.293 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.463 -15.536 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.070 -14.703 4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.276 -12.871 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.559 -14.062 5.565 1.00 0.00 H new ATOM 252 N GLU A 18 -2.275 -12.255 2.381 1.00 0.00 N ATOM 253 CA GLU A 18 -3.659 -11.941 1.983 1.00 0.00 C ATOM 254 C GLU A 18 -3.737 -11.167 0.658 1.00 0.00 C ATOM 255 O GLU A 18 -4.817 -10.996 0.094 1.00 0.00 O ATOM 256 CB GLU A 18 -4.392 -11.208 3.118 1.00 0.00 C ATOM 257 CG GLU A 18 -3.825 -9.814 3.435 1.00 0.00 C ATOM 258 CD GLU A 18 -4.408 -9.153 4.695 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.377 -9.653 5.314 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.864 -8.099 5.090 1.00 0.00 O ATOM 0 H GLU A 18 -1.677 -11.431 2.448 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.167 -12.888 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.444 -11.108 2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.348 -11.820 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.744 -9.894 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.006 -9.161 2.582 1.00 0.00 H new ATOM 267 N LEU A 19 -2.600 -10.720 0.120 1.00 0.00 N ATOM 268 CA LEU A 19 -2.544 -10.052 -1.179 1.00 0.00 C ATOM 269 C LEU A 19 -2.506 -11.102 -2.292 1.00 0.00 C ATOM 270 O LEU A 19 -1.495 -11.229 -2.982 1.00 0.00 O ATOM 271 CB LEU A 19 -1.304 -9.151 -1.268 1.00 0.00 C ATOM 272 CG LEU A 19 -1.317 -7.899 -0.395 1.00 0.00 C ATOM 273 CD1 LEU A 19 0.096 -7.295 -0.433 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.356 -6.910 -0.937 1.00 0.00 C ATOM 0 H LEU A 19 -1.692 -10.812 0.575 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.432 -9.430 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.429 -9.745 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.178 -8.844 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.588 -8.135 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.124 -6.396 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.812 -8.021 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.355 -7.040 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.366 -6.015 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.099 -6.637 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.342 -7.374 -0.922 1.00 0.00 H new ATOM 286 N LEU A 20 -3.559 -11.902 -2.432 1.00 0.00 N ATOM 287 CA LEU A 20 -3.619 -12.953 -3.444 1.00 0.00 C ATOM 288 C LEU A 20 -4.903 -12.823 -4.258 1.00 0.00 C ATOM 289 O LEU A 20 -4.860 -12.994 -5.476 1.00 0.00 O ATOM 290 CB LEU A 20 -3.513 -14.354 -2.813 1.00 0.00 C ATOM 291 CG LEU A 20 -2.148 -14.826 -2.271 1.00 0.00 C ATOM 292 CD1 LEU A 20 -0.983 -14.640 -3.249 1.00 0.00 C ATOM 293 CD2 LEU A 20 -1.779 -14.237 -0.904 1.00 0.00 C ATOM 0 H LEU A 20 -4.393 -11.841 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.764 -12.831 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.228 -14.400 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.839 -15.078 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.301 -15.897 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.061 -14.997 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.178 -15.207 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.880 -13.583 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.806 -14.618 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.737 -13.150 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.532 -14.523 -0.169 1.00 0.00 H new ATOM 305 N ASP A 21 -6.030 -12.498 -3.621 1.00 0.00 N ATOM 306 CA ASP A 21 -7.328 -12.343 -4.270 1.00 0.00 C ATOM 307 C ASP A 21 -7.305 -11.126 -5.195 1.00 0.00 C ATOM 308 O ASP A 21 -7.476 -10.000 -4.740 1.00 0.00 O ATOM 309 CB ASP A 21 -8.451 -12.199 -3.226 1.00 0.00 C ATOM 310 CG ASP A 21 -9.014 -13.545 -2.791 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.292 -14.332 -2.136 1.00 0.00 O ATOM 312 OD2 ASP A 21 -10.184 -13.834 -3.128 1.00 0.00 O ATOM 0 H ASP A 21 -6.063 -12.332 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.528 -13.237 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.067 -11.670 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.254 -11.589 -3.641 1.00 0.00 H new ATOM 317 N ASP A 22 -7.151 -11.356 -6.500 1.00 0.00 N ATOM 318 CA ASP A 22 -7.164 -10.417 -7.644 1.00 0.00 C ATOM 319 C ASP A 22 -8.449 -9.592 -7.789 1.00 0.00 C ATOM 320 O ASP A 22 -8.564 -8.727 -8.660 1.00 0.00 O ATOM 321 CB ASP A 22 -6.964 -11.320 -8.886 1.00 0.00 C ATOM 322 CG ASP A 22 -7.055 -10.640 -10.255 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.007 -10.182 -10.768 1.00 0.00 O ATOM 324 OD2 ASP A 22 -8.140 -10.596 -10.880 1.00 0.00 O ATOM 0 H ASP A 22 -6.996 -12.310 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.388 -9.664 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.986 -11.795 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.709 -12.115 -8.851 1.00 0.00 H new ATOM 329 N GLU A 23 -9.404 -9.863 -6.918 1.00 0.00 N ATOM 330 CA GLU A 23 -10.800 -9.504 -6.967 1.00 0.00 C ATOM 331 C GLU A 23 -11.153 -8.743 -5.693 1.00 0.00 C ATOM 332 O GLU A 23 -11.544 -7.586 -5.787 1.00 0.00 O ATOM 333 CB GLU A 23 -11.585 -10.759 -7.327 1.00 0.00 C ATOM 334 CG GLU A 23 -11.431 -11.863 -6.290 1.00 0.00 C ATOM 335 CD GLU A 23 -11.743 -13.236 -6.890 1.00 0.00 C ATOM 336 OE1 GLU A 23 -12.929 -13.583 -7.066 1.00 0.00 O ATOM 337 OE2 GLU A 23 -10.803 -13.955 -7.313 1.00 0.00 O ATOM 0 H GLU A 23 -9.193 -10.395 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.073 -8.795 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.640 -10.506 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.250 -11.127 -8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.414 -11.858 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.098 -11.671 -5.449 1.00 0.00 H new ATOM 344 N GLU A 24 -10.892 -9.309 -4.516 1.00 0.00 N ATOM 345 CA GLU A 24 -11.030 -8.648 -3.231 1.00 0.00 C ATOM 346 C GLU A 24 -10.092 -7.444 -3.110 1.00 0.00 C ATOM 347 O GLU A 24 -10.502 -6.388 -2.637 1.00 0.00 O ATOM 348 CB GLU A 24 -10.706 -9.695 -2.168 1.00 0.00 C ATOM 349 CG GLU A 24 -11.312 -9.330 -0.823 1.00 0.00 C ATOM 350 CD GLU A 24 -10.919 -10.343 0.248 1.00 0.00 C ATOM 351 OE1 GLU A 24 -10.977 -11.564 -0.021 1.00 0.00 O ATOM 352 OE2 GLU A 24 -10.557 -9.906 1.364 1.00 0.00 O ATOM 0 H GLU A 24 -10.568 -10.273 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.041 -8.258 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.083 -10.667 -2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.625 -9.790 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.978 -8.335 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.398 -9.289 -0.909 1.00 0.00 H new ATOM 359 N TYR A 25 -8.846 -7.591 -3.579 1.00 0.00 N ATOM 360 CA TYR A 25 -7.854 -6.526 -3.697 1.00 0.00 C ATOM 361 C TYR A 25 -8.465 -5.282 -4.344 1.00 0.00 C ATOM 362 O TYR A 25 -8.167 -4.168 -3.917 1.00 0.00 O ATOM 363 CB TYR A 25 -6.688 -7.104 -4.517 1.00 0.00 C ATOM 364 CG TYR A 25 -5.612 -6.181 -5.055 1.00 0.00 C ATOM 365 CD1 TYR A 25 -5.804 -5.562 -6.306 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.355 -6.104 -4.422 1.00 0.00 C ATOM 367 CE1 TYR A 25 -4.742 -4.905 -6.948 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.290 -5.442 -5.059 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.473 -4.868 -6.334 1.00 0.00 C ATOM 370 OH TYR A 25 -2.415 -4.317 -6.988 1.00 0.00 O ATOM 0 H TYR A 25 -8.492 -8.493 -3.898 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.496 -6.200 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.194 -7.852 -3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.119 -7.631 -5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.776 -5.593 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.210 -6.552 -3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.896 -4.431 -7.906 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.329 -5.373 -4.570 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.616 -4.372 -6.423 1.00 0.00 H new ATOM 380 N GLU A 26 -9.306 -5.454 -5.368 1.00 0.00 N ATOM 381 CA GLU A 26 -9.818 -4.318 -6.121 1.00 0.00 C ATOM 382 C GLU A 26 -10.974 -3.582 -5.453 1.00 0.00 C ATOM 383 O GLU A 26 -11.141 -2.384 -5.685 1.00 0.00 O ATOM 384 CB GLU A 26 -10.173 -4.750 -7.553 1.00 0.00 C ATOM 385 CG GLU A 26 -9.426 -3.757 -8.451 1.00 0.00 C ATOM 386 CD GLU A 26 -9.460 -3.981 -9.959 1.00 0.00 C ATOM 387 OE1 GLU A 26 -10.290 -4.736 -10.499 1.00 0.00 O ATOM 388 OE2 GLU A 26 -8.591 -3.342 -10.609 1.00 0.00 O ATOM 0 H GLU A 26 -9.641 -6.363 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.011 -3.586 -6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.858 -5.775 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.249 -4.709 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.827 -2.763 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.381 -3.747 -8.140 1.00 0.00 H new ATOM 395 N GLU A 27 -11.730 -4.271 -4.609 1.00 0.00 N ATOM 396 CA GLU A 27 -12.722 -3.682 -3.711 1.00 0.00 C ATOM 397 C GLU A 27 -12.009 -2.767 -2.715 1.00 0.00 C ATOM 398 O GLU A 27 -12.350 -1.595 -2.556 1.00 0.00 O ATOM 399 CB GLU A 27 -13.486 -4.785 -2.964 1.00 0.00 C ATOM 400 CG GLU A 27 -14.074 -5.852 -3.893 1.00 0.00 C ATOM 401 CD GLU A 27 -15.163 -5.340 -4.838 1.00 0.00 C ATOM 402 OE1 GLU A 27 -15.820 -4.315 -4.541 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.458 -6.050 -5.827 1.00 0.00 O ATOM 0 H GLU A 27 -11.670 -5.286 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.440 -3.102 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.814 -5.264 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.292 -4.332 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.268 -6.282 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.487 -6.657 -3.285 1.00 0.00 H new ATOM 410 N ILE A 28 -10.994 -3.321 -2.050 1.00 0.00 N ATOM 411 CA ILE A 28 -10.284 -2.682 -0.951 1.00 0.00 C ATOM 412 C ILE A 28 -9.618 -1.386 -1.436 1.00 0.00 C ATOM 413 O ILE A 28 -9.552 -0.412 -0.684 1.00 0.00 O ATOM 414 CB ILE A 28 -9.284 -3.700 -0.345 1.00 0.00 C ATOM 415 CG1 ILE A 28 -10.013 -4.932 0.249 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.454 -3.045 0.776 1.00 0.00 C ATOM 417 CD1 ILE A 28 -9.092 -6.144 0.449 1.00 0.00 C ATOM 0 H ILE A 28 -10.637 -4.251 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.973 -2.389 -0.159 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.633 -4.024 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.454 -4.657 1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.834 -5.213 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.758 -3.776 1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.896 -2.202 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.120 -2.694 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.665 -6.971 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.671 -6.443 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.285 -5.879 1.132 1.00 0.00 H new ATOM 429 N VAL A 29 -9.134 -1.350 -2.681 1.00 0.00 N ATOM 430 CA VAL A 29 -8.589 -0.145 -3.293 1.00 0.00 C ATOM 431 C VAL A 29 -9.634 0.979 -3.269 1.00 0.00 C ATOM 432 O VAL A 29 -9.286 2.103 -2.912 1.00 0.00 O ATOM 433 CB VAL A 29 -8.095 -0.484 -4.715 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.834 0.738 -5.607 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.775 -1.277 -4.657 1.00 0.00 C ATOM 0 H VAL A 29 -9.111 -2.165 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.733 0.221 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.910 -1.062 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.490 0.406 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.755 1.309 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.071 1.367 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.443 -1.506 -5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.014 -0.681 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.932 -2.205 -4.108 1.00 0.00 H new ATOM 445 N GLU A 30 -10.888 0.726 -3.659 1.00 0.00 N ATOM 446 CA GLU A 30 -11.873 1.800 -3.801 1.00 0.00 C ATOM 447 C GLU A 30 -12.294 2.374 -2.454 1.00 0.00 C ATOM 448 O GLU A 30 -12.492 3.587 -2.335 1.00 0.00 O ATOM 449 CB GLU A 30 -13.129 1.348 -4.562 1.00 0.00 C ATOM 450 CG GLU A 30 -12.821 0.857 -5.980 1.00 0.00 C ATOM 451 CD GLU A 30 -13.815 1.401 -7.012 1.00 0.00 C ATOM 452 OE1 GLU A 30 -14.974 0.918 -7.066 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.413 2.300 -7.797 1.00 0.00 O ATOM 0 H GLU A 30 -11.241 -0.205 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.371 2.576 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.618 0.549 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.834 2.178 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.811 1.161 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.842 -0.233 -5.998 1.00 0.00 H new ATOM 460 N ASP A 31 -12.420 1.514 -1.448 1.00 0.00 N ATOM 461 CA ASP A 31 -12.833 1.915 -0.102 1.00 0.00 C ATOM 462 C ASP A 31 -11.793 2.850 0.522 1.00 0.00 C ATOM 463 O ASP A 31 -12.112 3.840 1.184 1.00 0.00 O ATOM 464 CB ASP A 31 -13.002 0.663 0.768 1.00 0.00 C ATOM 465 CG ASP A 31 -13.507 1.008 2.173 1.00 0.00 C ATOM 466 OD1 ASP A 31 -14.474 1.793 2.327 1.00 0.00 O ATOM 467 OD2 ASP A 31 -12.919 0.493 3.151 1.00 0.00 O ATOM 0 H ASP A 31 -12.238 0.515 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.781 2.449 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.702 -0.021 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.048 0.141 0.843 1.00 0.00 H new ATOM 472 N VAL A 32 -10.522 2.560 0.268 1.00 0.00 N ATOM 473 CA VAL A 32 -9.394 3.350 0.732 1.00 0.00 C ATOM 474 C VAL A 32 -9.264 4.615 -0.118 1.00 0.00 C ATOM 475 O VAL A 32 -8.869 5.670 0.395 1.00 0.00 O ATOM 476 CB VAL A 32 -8.149 2.441 0.655 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.831 3.212 0.780 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.252 1.371 1.757 1.00 0.00 C ATOM 0 H VAL A 32 -10.243 1.747 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.522 3.690 1.760 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.134 1.978 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.995 2.516 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.757 3.940 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.802 3.730 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.378 0.720 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.297 1.856 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.154 0.778 1.605 1.00 0.00 H new ATOM 488 N ARG A 33 -9.608 4.537 -1.408 1.00 0.00 N ATOM 489 CA ARG A 33 -9.555 5.700 -2.278 1.00 0.00 C ATOM 490 C ARG A 33 -10.597 6.710 -1.819 1.00 0.00 C ATOM 491 O ARG A 33 -10.334 7.906 -1.891 1.00 0.00 O ATOM 492 CB ARG A 33 -9.719 5.278 -3.749 1.00 0.00 C ATOM 493 CG ARG A 33 -9.302 6.385 -4.725 1.00 0.00 C ATOM 494 CD ARG A 33 -9.179 5.839 -6.155 1.00 0.00 C ATOM 495 NE ARG A 33 -8.760 6.891 -7.101 1.00 0.00 N ATOM 496 CZ ARG A 33 -9.533 7.516 -7.998 1.00 0.00 C ATOM 497 NH1 ARG A 33 -10.830 7.243 -8.108 1.00 0.00 N ATOM 498 NH2 ARG A 33 -8.977 8.426 -8.790 1.00 0.00 N ATOM 0 H ARG A 33 -9.924 3.681 -1.864 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.580 6.184 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.120 4.387 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.759 5.008 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.035 7.191 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.349 6.812 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.457 5.023 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.136 5.424 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.780 7.171 -7.068 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.257 6.544 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.397 7.733 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.982 8.635 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.545 8.916 -9.481 1.00 0.00 H new ATOM 512 N ASP A 34 -11.734 6.264 -1.284 1.00 0.00 N ATOM 513 CA ASP A 34 -12.681 7.173 -0.657 1.00 0.00 C ATOM 514 C ASP A 34 -12.056 7.847 0.549 1.00 0.00 C ATOM 515 O ASP A 34 -12.060 9.073 0.652 1.00 0.00 O ATOM 516 CB ASP A 34 -13.938 6.460 -0.171 1.00 0.00 C ATOM 517 CG ASP A 34 -14.918 7.505 0.370 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.229 8.495 -0.342 1.00 0.00 O ATOM 519 OD2 ASP A 34 -15.376 7.376 1.528 1.00 0.00 O ATOM 0 H ASP A 34 -12.016 5.284 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.949 7.900 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.395 5.901 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.687 5.739 0.607 1.00 0.00 H new ATOM 524 N GLU A 35 -11.538 7.045 1.480 1.00 0.00 N ATOM 525 CA GLU A 35 -11.188 7.552 2.795 1.00 0.00 C ATOM 526 C GLU A 35 -10.075 8.595 2.708 1.00 0.00 C ATOM 527 O GLU A 35 -10.073 9.606 3.418 1.00 0.00 O ATOM 528 CB GLU A 35 -10.838 6.404 3.750 1.00 0.00 C ATOM 529 CG GLU A 35 -9.382 5.935 3.862 1.00 0.00 C ATOM 530 CD GLU A 35 -9.287 5.009 5.081 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.221 5.547 6.219 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.389 3.770 4.950 1.00 0.00 O ATOM 0 H GLU A 35 -11.355 6.051 1.344 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.060 8.058 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.165 6.697 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.438 5.542 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.078 5.409 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.712 6.788 3.975 1.00 0.00 H new ATOM 539 N CYS A 36 -9.137 8.347 1.798 1.00 0.00 N ATOM 540 CA CYS A 36 -8.014 9.212 1.529 1.00 0.00 C ATOM 541 C CYS A 36 -8.464 10.449 0.725 1.00 0.00 C ATOM 542 O CYS A 36 -7.841 11.506 0.839 1.00 0.00 O ATOM 543 CB CYS A 36 -6.962 8.329 0.838 1.00 0.00 C ATOM 544 SG CYS A 36 -5.301 9.031 0.920 1.00 0.00 S ATOM 0 H CYS A 36 -9.146 7.510 1.215 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.571 9.639 2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.959 7.343 1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.241 8.188 -0.206 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.313 10.233 0.424 1.00 0.00 H new ATOM 550 N SER A 37 -9.593 10.384 0.002 1.00 0.00 N ATOM 551 CA SER A 37 -10.177 11.515 -0.715 1.00 0.00 C ATOM 552 C SER A 37 -10.805 12.528 0.257 1.00 0.00 C ATOM 553 O SER A 37 -11.230 13.618 -0.135 1.00 0.00 O ATOM 554 CB SER A 37 -11.200 11.009 -1.744 1.00 0.00 C ATOM 555 OG SER A 37 -11.527 11.989 -2.704 1.00 0.00 O ATOM 0 H SER A 37 -10.132 9.524 -0.099 1.00 0.00 H new ATOM 0 HA SER A 37 -9.383 12.038 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.799 10.130 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.106 10.694 -1.227 1.00 0.00 H new ATOM 0 HG SER A 37 -11.593 12.864 -2.268 1.00 0.00 H new ATOM 561 N LYS A 38 -10.892 12.219 1.555 1.00 0.00 N ATOM 562 CA LYS A 38 -11.438 13.150 2.540 1.00 0.00 C ATOM 563 C LYS A 38 -10.474 14.306 2.846 1.00 0.00 C ATOM 564 O LYS A 38 -10.887 15.266 3.499 1.00 0.00 O ATOM 565 CB LYS A 38 -11.852 12.377 3.800 1.00 0.00 C ATOM 566 CG LYS A 38 -12.898 11.289 3.490 1.00 0.00 C ATOM 567 CD LYS A 38 -13.291 10.530 4.761 1.00 0.00 C ATOM 568 CE LYS A 38 -14.554 9.688 4.546 1.00 0.00 C ATOM 569 NZ LYS A 38 -14.873 8.844 5.715 1.00 0.00 N ATOM 0 H LYS A 38 -10.589 11.327 1.946 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.327 13.621 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.972 11.917 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.258 13.072 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.783 11.746 3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.496 10.592 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.469 9.883 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.459 11.239 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.396 10.348 4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.420 9.054 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.734 8.294 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.082 8.195 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.028 9.448 6.547 1.00 0.00 H new ATOM 583 N TYR A 39 -9.219 14.266 2.378 1.00 0.00 N ATOM 584 CA TYR A 39 -8.157 15.204 2.772 1.00 0.00 C ATOM 585 C TYR A 39 -7.544 15.940 1.574 1.00 0.00 C ATOM 586 O TYR A 39 -6.636 16.749 1.753 1.00 0.00 O ATOM 587 CB TYR A 39 -7.084 14.456 3.587 1.00 0.00 C ATOM 588 CG TYR A 39 -7.596 13.812 4.867 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.315 12.607 4.791 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.383 14.416 6.124 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.873 12.040 5.944 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.902 13.823 7.294 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.666 12.636 7.206 1.00 0.00 C ATOM 594 OH TYR A 39 -9.226 12.084 8.320 1.00 0.00 O ATOM 0 H TYR A 39 -8.907 13.568 1.703 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.606 15.976 3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.642 13.683 2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.287 15.155 3.841 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.438 12.115 3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.821 15.336 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.466 11.141 5.866 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.716 14.275 8.257 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.518 11.772 8.922 1.00 0.00 H new ATOM 604 N GLY A 40 -8.026 15.687 0.361 1.00 0.00 N ATOM 605 CA GLY A 40 -7.477 16.120 -0.918 1.00 0.00 C ATOM 606 C GLY A 40 -7.793 15.015 -1.908 1.00 0.00 C ATOM 607 O GLY A 40 -8.648 14.177 -1.617 1.00 0.00 O ATOM 0 H GLY A 40 -8.873 15.133 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.921 17.064 -1.233 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.402 16.282 -0.845 1.00 0.00 H new ATOM 611 N LEU A 41 -7.161 14.989 -3.076 1.00 0.00 N ATOM 612 CA LEU A 41 -7.469 13.996 -4.095 1.00 0.00 C ATOM 613 C LEU A 41 -6.336 12.995 -4.202 1.00 0.00 C ATOM 614 O LEU A 41 -5.243 13.306 -4.676 1.00 0.00 O ATOM 615 CB LEU A 41 -7.809 14.687 -5.416 1.00 0.00 C ATOM 616 CG LEU A 41 -8.665 13.900 -6.436 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.845 12.975 -7.340 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.781 13.078 -5.784 1.00 0.00 C ATOM 0 H LEU A 41 -6.429 15.648 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.355 13.427 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.331 15.616 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.873 14.960 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.111 14.683 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.511 12.456 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.125 13.565 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.315 12.245 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.343 12.551 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.345 12.355 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.450 13.742 -5.238 1.00 0.00 H new ATOM 630 N VAL A 42 -6.621 11.789 -3.728 1.00 0.00 N ATOM 631 CA VAL A 42 -5.834 10.602 -4.017 1.00 0.00 C ATOM 632 C VAL A 42 -5.965 10.312 -5.510 1.00 0.00 C ATOM 633 O VAL A 42 -7.052 10.052 -6.028 1.00 0.00 O ATOM 634 CB VAL A 42 -6.204 9.433 -3.081 1.00 0.00 C ATOM 635 CG1 VAL A 42 -7.710 9.236 -2.885 1.00 0.00 C ATOM 636 CG2 VAL A 42 -5.592 8.104 -3.553 1.00 0.00 C ATOM 0 H VAL A 42 -7.420 11.607 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.776 10.762 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.781 9.721 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.883 8.395 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.142 10.139 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.179 9.034 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.877 7.308 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.958 7.869 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.506 8.191 -3.576 1.00 0.00 H new ATOM 646 N LYS A 43 -4.832 10.406 -6.196 1.00 0.00 N ATOM 647 CA LYS A 43 -4.610 9.992 -7.565 1.00 0.00 C ATOM 648 C LYS A 43 -5.011 8.521 -7.658 1.00 0.00 C ATOM 649 O LYS A 43 -6.102 8.207 -8.149 1.00 0.00 O ATOM 650 CB LYS A 43 -3.124 10.265 -7.884 1.00 0.00 C ATOM 651 CG LYS A 43 -2.711 9.920 -9.314 1.00 0.00 C ATOM 652 CD LYS A 43 -3.200 10.946 -10.337 1.00 0.00 C ATOM 653 CE LYS A 43 -3.829 10.187 -11.496 1.00 0.00 C ATOM 654 NZ LYS A 43 -4.154 11.080 -12.611 1.00 0.00 N ATOM 0 H LYS A 43 -3.990 10.801 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.203 10.535 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.914 11.319 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.506 9.693 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.624 9.851 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.106 8.938 -9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.926 11.621 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.371 11.560 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.144 9.411 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.735 9.685 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.581 10.530 -13.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.826 11.806 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.286 11.540 -12.952 1.00 0.00 H new ATOM 668 N SER A 44 -4.172 7.638 -7.122 1.00 0.00 N ATOM 669 CA SER A 44 -4.416 6.204 -7.068 1.00 0.00 C ATOM 670 C SER A 44 -3.505 5.579 -6.004 1.00 0.00 C ATOM 671 O SER A 44 -2.857 6.294 -5.233 1.00 0.00 O ATOM 672 CB SER A 44 -4.233 5.583 -8.465 1.00 0.00 C ATOM 673 OG SER A 44 -5.264 4.646 -8.719 1.00 0.00 O ATOM 0 H SER A 44 -3.282 7.909 -6.704 1.00 0.00 H new ATOM 0 HA SER A 44 -5.446 6.000 -6.775 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.247 6.365 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.261 5.093 -8.529 1.00 0.00 H new ATOM 0 HG SER A 44 -5.141 4.257 -9.610 1.00 0.00 H new ATOM 679 N ILE A 45 -3.521 4.246 -5.910 1.00 0.00 N ATOM 680 CA ILE A 45 -2.929 3.441 -4.844 1.00 0.00 C ATOM 681 C ILE A 45 -2.077 2.357 -5.516 1.00 0.00 C ATOM 682 O ILE A 45 -2.452 1.829 -6.565 1.00 0.00 O ATOM 683 CB ILE A 45 -4.065 2.861 -3.960 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.864 3.967 -3.233 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.540 1.895 -2.888 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.337 3.599 -3.034 1.00 0.00 C ATOM 0 H ILE A 45 -3.975 3.669 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.287 4.025 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.712 2.327 -4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.408 4.160 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.799 4.892 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.375 1.518 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.030 1.060 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.842 2.420 -2.236 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.849 4.412 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.805 3.433 -4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.407 2.690 -2.437 1.00 0.00 H new ATOM 698 N GLU A 46 -0.941 2.013 -4.916 1.00 0.00 N ATOM 699 CA GLU A 46 0.072 1.120 -5.477 1.00 0.00 C ATOM 700 C GLU A 46 0.438 0.052 -4.438 1.00 0.00 C ATOM 701 O GLU A 46 0.863 0.365 -3.325 1.00 0.00 O ATOM 702 CB GLU A 46 1.274 1.950 -5.955 1.00 0.00 C ATOM 703 CG GLU A 46 2.446 1.131 -6.518 1.00 0.00 C ATOM 704 CD GLU A 46 2.045 0.214 -7.683 1.00 0.00 C ATOM 705 OE1 GLU A 46 1.308 0.661 -8.592 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.418 -0.982 -7.691 1.00 0.00 O ATOM 0 H GLU A 46 -0.690 2.361 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.310 0.591 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.934 2.645 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.637 2.550 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.228 1.812 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.873 0.525 -5.719 1.00 0.00 H new ATOM 713 N ILE A 47 0.192 -1.216 -4.772 1.00 0.00 N ATOM 714 CA ILE A 47 0.149 -2.351 -3.854 1.00 0.00 C ATOM 715 C ILE A 47 1.007 -3.471 -4.449 1.00 0.00 C ATOM 716 O ILE A 47 0.510 -4.293 -5.223 1.00 0.00 O ATOM 717 CB ILE A 47 -1.306 -2.798 -3.562 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.200 -1.590 -3.207 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.299 -3.879 -2.459 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.603 -1.959 -2.727 1.00 0.00 C ATOM 0 H ILE A 47 0.009 -1.490 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 47 0.557 -2.067 -2.884 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.739 -3.239 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.707 -1.005 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.287 -0.948 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.322 -4.195 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.715 -4.737 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.855 -3.470 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.161 -1.050 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.120 -2.517 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.531 -2.574 -1.830 1.00 0.00 H new ATOM 732 N PRO A 48 2.325 -3.502 -4.198 1.00 0.00 N ATOM 733 CA PRO A 48 3.117 -4.688 -4.506 1.00 0.00 C ATOM 734 C PRO A 48 2.507 -5.898 -3.799 1.00 0.00 C ATOM 735 O PRO A 48 2.300 -5.859 -2.587 1.00 0.00 O ATOM 736 CB PRO A 48 4.544 -4.380 -4.051 1.00 0.00 C ATOM 737 CG PRO A 48 4.343 -3.313 -2.981 1.00 0.00 C ATOM 738 CD PRO A 48 3.116 -2.538 -3.449 1.00 0.00 C ATOM 0 HA PRO A 48 3.127 -4.932 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.039 -5.265 -3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.159 -4.015 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.182 -3.759 -2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.215 -2.665 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.555 -2.139 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.399 -1.690 -4.073 1.00 0.00 H new ATOM 746 N ARG A 49 2.191 -6.949 -4.563 1.00 0.00 N ATOM 747 CA ARG A 49 1.627 -8.209 -4.073 1.00 0.00 C ATOM 748 C ARG A 49 2.588 -9.347 -4.412 1.00 0.00 C ATOM 749 O ARG A 49 3.321 -9.219 -5.398 1.00 0.00 O ATOM 750 CB ARG A 49 0.219 -8.454 -4.659 1.00 0.00 C ATOM 751 CG ARG A 49 0.118 -8.533 -6.192 1.00 0.00 C ATOM 752 CD ARG A 49 -0.426 -7.227 -6.786 1.00 0.00 C ATOM 753 NE ARG A 49 -0.479 -7.281 -8.248 1.00 0.00 N ATOM 754 CZ ARG A 49 -1.422 -7.866 -8.991 1.00 0.00 C ATOM 755 NH1 ARG A 49 -2.465 -8.491 -8.465 1.00 0.00 N ATOM 756 NH2 ARG A 49 -1.308 -7.821 -10.307 1.00 0.00 N ATOM 0 H ARG A 49 2.326 -6.945 -5.574 1.00 0.00 H new ATOM 0 HA ARG A 49 1.508 -8.159 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.166 -9.385 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.438 -7.655 -4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.101 -8.744 -6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.533 -9.361 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.424 -7.035 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.205 -6.394 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 49 0.282 -6.825 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.573 -8.540 -7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.160 -8.923 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.512 -7.347 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.016 -8.261 -10.896 1.00 0.00 H new ATOM 770 N PRO A 50 2.646 -10.422 -3.609 1.00 0.00 N ATOM 771 CA PRO A 50 3.543 -11.539 -3.852 1.00 0.00 C ATOM 772 C PRO A 50 3.116 -12.278 -5.111 1.00 0.00 C ATOM 773 O PRO A 50 1.935 -12.383 -5.454 1.00 0.00 O ATOM 774 CB PRO A 50 3.438 -12.419 -2.608 1.00 0.00 C ATOM 775 CG PRO A 50 1.992 -12.201 -2.176 1.00 0.00 C ATOM 776 CD PRO A 50 1.787 -10.723 -2.478 1.00 0.00 C ATOM 0 HA PRO A 50 4.574 -11.226 -4.016 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.642 -13.466 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.144 -12.115 -1.835 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.300 -12.831 -2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.844 -12.425 -1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.744 -10.514 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.048 -10.109 -1.616 1.00 0.00 H new ATOM 866 N PRO A 57 9.784 -6.384 -3.982 1.00 0.00 N ATOM 867 CA PRO A 57 10.410 -5.383 -3.143 1.00 0.00 C ATOM 868 C PRO A 57 9.304 -4.460 -2.610 1.00 0.00 C ATOM 869 O PRO A 57 8.335 -4.168 -3.316 1.00 0.00 O ATOM 870 CB PRO A 57 11.398 -4.675 -4.067 1.00 0.00 C ATOM 871 CG PRO A 57 10.721 -4.736 -5.438 1.00 0.00 C ATOM 872 CD PRO A 57 9.980 -6.073 -5.395 1.00 0.00 C ATOM 0 HA PRO A 57 10.936 -5.772 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.573 -3.646 -3.753 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.366 -5.175 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.038 -3.900 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.448 -4.703 -6.249 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.024 -6.005 -5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.557 -6.854 -5.889 1.00 0.00 H new ATOM 880 N GLY A 58 9.429 -4.009 -1.363 1.00 0.00 N ATOM 881 CA GLY A 58 8.489 -3.059 -0.780 1.00 0.00 C ATOM 882 C GLY A 58 7.154 -3.689 -0.408 1.00 0.00 C ATOM 883 O GLY A 58 6.174 -2.974 -0.211 1.00 0.00 O ATOM 0 H GLY A 58 10.180 -4.291 -0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.935 -2.616 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.316 -2.248 -1.487 1.00 0.00 H new ATOM 887 N CYS A 59 7.107 -5.015 -0.304 1.00 0.00 N ATOM 888 CA CYS A 59 5.940 -5.740 0.158 1.00 0.00 C ATOM 889 C CYS A 59 5.706 -5.488 1.646 1.00 0.00 C ATOM 890 O CYS A 59 6.632 -5.137 2.389 1.00 0.00 O ATOM 891 CB CYS A 59 6.191 -7.221 -0.100 1.00 0.00 C ATOM 892 SG CYS A 59 4.640 -8.153 -0.268 1.00 0.00 S ATOM 0 H CYS A 59 7.893 -5.619 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 59 5.049 -5.405 -0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.784 -7.336 -1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.778 -7.638 0.719 1.00 0.00 H new ATOM 0 HG CYS A 59 4.908 -9.406 -0.488 1.00 0.00 H new ATOM 898 N GLY A 60 4.468 -5.677 2.095 1.00 0.00 N ATOM 899 CA GLY A 60 4.058 -5.420 3.465 1.00 0.00 C ATOM 900 C GLY A 60 3.798 -3.947 3.739 1.00 0.00 C ATOM 901 O GLY A 60 3.602 -3.561 4.901 1.00 0.00 O ATOM 0 H GLY A 60 3.711 -6.019 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.154 -5.990 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.831 -5.780 4.144 1.00 0.00 H new ATOM 905 N LYS A 61 3.824 -3.100 2.708 1.00 0.00 N ATOM 906 CA LYS A 61 3.314 -1.757 2.764 1.00 0.00 C ATOM 907 C LYS A 61 2.575 -1.434 1.463 1.00 0.00 C ATOM 908 O LYS A 61 2.560 -2.238 0.529 1.00 0.00 O ATOM 909 CB LYS A 61 4.376 -0.766 3.202 1.00 0.00 C ATOM 910 CG LYS A 61 5.683 -0.763 2.444 1.00 0.00 C ATOM 911 CD LYS A 61 6.693 -1.850 2.835 1.00 0.00 C ATOM 912 CE LYS A 61 8.021 -1.174 2.551 1.00 0.00 C ATOM 913 NZ LYS A 61 9.207 -2.024 2.738 1.00 0.00 N ATOM 0 H LYS A 61 4.212 -3.348 1.798 1.00 0.00 H new ATOM 0 HA LYS A 61 2.565 -1.665 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.949 0.235 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.597 -0.953 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.463 -0.865 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.156 0.210 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.598 -2.136 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.564 -2.757 2.244 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.013 -0.809 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.113 -0.302 3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.043 -1.544 2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.352 -2.200 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.066 -2.930 2.246 1.00 0.00 H new ATOM 927 N ILE A 62 1.903 -0.291 1.431 1.00 0.00 N ATOM 928 CA ILE A 62 1.176 0.265 0.297 1.00 0.00 C ATOM 929 C ILE A 62 1.813 1.627 0.051 1.00 0.00 C ATOM 930 O ILE A 62 2.399 2.221 0.966 1.00 0.00 O ATOM 931 CB ILE A 62 -0.345 0.303 0.609 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.811 -1.168 0.480 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.152 1.221 -0.320 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.298 -1.443 0.684 1.00 0.00 C ATOM 0 H ILE A 62 1.848 0.313 2.251 1.00 0.00 H new ATOM 0 HA ILE A 62 1.245 -0.332 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.515 0.723 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.533 -1.526 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.254 -1.765 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.204 1.192 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.781 2.242 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.044 0.882 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.490 -2.509 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.592 -1.129 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.876 -0.887 -0.054 1.00 0.00 H new ATOM 946 N PHE A 63 1.693 2.118 -1.174 1.00 0.00 N ATOM 947 CA PHE A 63 2.002 3.484 -1.547 1.00 0.00 C ATOM 948 C PHE A 63 0.692 4.105 -2.053 1.00 0.00 C ATOM 949 O PHE A 63 -0.200 3.402 -2.530 1.00 0.00 O ATOM 950 CB PHE A 63 3.190 3.485 -2.509 1.00 0.00 C ATOM 951 CG PHE A 63 4.291 2.565 -2.019 1.00 0.00 C ATOM 952 CD1 PHE A 63 5.146 2.976 -0.980 1.00 0.00 C ATOM 953 CD2 PHE A 63 4.353 1.242 -2.492 1.00 0.00 C ATOM 954 CE1 PHE A 63 6.061 2.071 -0.415 1.00 0.00 C ATOM 955 CE2 PHE A 63 5.257 0.341 -1.916 1.00 0.00 C ATOM 956 CZ PHE A 63 6.123 0.752 -0.889 1.00 0.00 C ATOM 0 H PHE A 63 1.367 1.555 -1.959 1.00 0.00 H new ATOM 0 HA PHE A 63 2.341 4.114 -0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.861 3.168 -3.499 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.578 4.499 -2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.099 3.991 -0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.706 0.922 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.715 2.390 0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.289 -0.681 -2.265 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.833 0.056 -0.467 1.00 0.00 H new ATOM 966 N VAL A 64 0.519 5.414 -1.888 1.00 0.00 N ATOM 967 CA VAL A 64 -0.640 6.162 -2.353 1.00 0.00 C ATOM 968 C VAL A 64 -0.083 7.458 -2.920 1.00 0.00 C ATOM 969 O VAL A 64 1.003 7.883 -2.519 1.00 0.00 O ATOM 970 CB VAL A 64 -1.670 6.335 -1.209 1.00 0.00 C ATOM 971 CG1 VAL A 64 -1.230 7.325 -0.125 1.00 0.00 C ATOM 972 CG2 VAL A 64 -3.044 6.791 -1.699 1.00 0.00 C ATOM 0 H VAL A 64 1.205 5.999 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.206 5.650 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.734 5.333 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.002 7.393 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.300 6.980 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.074 8.307 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.718 6.893 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.950 7.752 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.446 6.054 -2.394 1.00 0.00 H new ATOM 982 N GLU A 65 -0.798 8.091 -3.834 1.00 0.00 N ATOM 983 CA GLU A 65 -0.314 9.248 -4.563 1.00 0.00 C ATOM 984 C GLU A 65 -1.434 10.272 -4.599 1.00 0.00 C ATOM 985 O GLU A 65 -2.608 9.895 -4.652 1.00 0.00 O ATOM 986 CB GLU A 65 0.173 8.746 -5.926 1.00 0.00 C ATOM 987 CG GLU A 65 0.525 9.812 -6.953 1.00 0.00 C ATOM 988 CD GLU A 65 1.206 9.203 -8.177 1.00 0.00 C ATOM 989 OE1 GLU A 65 0.522 8.442 -8.899 1.00 0.00 O ATOM 990 OE2 GLU A 65 2.379 9.555 -8.424 1.00 0.00 O ATOM 0 H GLU A 65 -1.744 7.811 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 65 0.533 9.755 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.052 8.122 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.600 8.105 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.380 10.336 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.183 10.553 -6.500 1.00 0.00 H new ATOM 997 N PHE A 66 -1.083 11.555 -4.537 1.00 0.00 N ATOM 998 CA PHE A 66 -2.039 12.654 -4.555 1.00 0.00 C ATOM 999 C PHE A 66 -1.833 13.514 -5.787 1.00 0.00 C ATOM 1000 O PHE A 66 -0.824 13.422 -6.483 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.919 13.519 -3.292 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.520 12.900 -2.052 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -1.848 11.863 -1.379 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.755 13.374 -1.567 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -2.404 11.312 -0.215 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.308 12.827 -0.398 1.00 0.00 C ATOM 1007 CZ PHE A 66 -3.623 11.804 0.276 1.00 0.00 C ATOM 0 H PHE A 66 -0.112 11.862 -4.472 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.039 12.222 -4.581 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.865 13.725 -3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.403 14.478 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.907 11.492 -1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.277 14.159 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.895 10.512 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.252 13.190 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.039 11.391 1.183 1.00 0.00 H new ATOM 1017 N THR A 67 -2.798 14.392 -6.025 1.00 0.00 N ATOM 1018 CA THR A 67 -2.764 15.395 -7.069 1.00 0.00 C ATOM 1019 C THR A 67 -1.695 16.467 -6.832 1.00 0.00 C ATOM 1020 O THR A 67 -1.330 17.152 -7.789 1.00 0.00 O ATOM 1021 CB THR A 67 -4.162 16.026 -7.150 1.00 0.00 C ATOM 1022 OG1 THR A 67 -4.703 16.307 -5.862 1.00 0.00 O ATOM 1023 CG2 THR A 67 -5.137 15.048 -7.825 1.00 0.00 C ATOM 0 H THR A 67 -3.655 14.422 -5.473 1.00 0.00 H new ATOM 0 HA THR A 67 -2.494 14.917 -8.011 1.00 0.00 H new ATOM 0 HB THR A 67 -4.049 16.952 -7.714 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.207 17.047 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.127 15.501 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.786 14.821 -8.832 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.191 14.128 -7.243 1.00 0.00 H new ATOM 1031 N SER A 68 -1.212 16.657 -5.597 1.00 0.00 N ATOM 1032 CA SER A 68 -0.165 17.619 -5.310 1.00 0.00 C ATOM 1033 C SER A 68 0.459 17.332 -3.950 1.00 0.00 C ATOM 1034 O SER A 68 -0.190 16.843 -3.019 1.00 0.00 O ATOM 1035 CB SER A 68 -0.784 19.021 -5.279 1.00 0.00 C ATOM 1036 OG SER A 68 0.156 20.057 -5.488 1.00 0.00 O ATOM 0 H SER A 68 -1.541 16.145 -4.778 1.00 0.00 H new ATOM 0 HA SER A 68 0.605 17.551 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.559 19.085 -6.043 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.272 19.173 -4.316 1.00 0.00 H new ATOM 0 HG SER A 68 -0.300 20.924 -5.458 1.00 0.00 H new ATOM 1042 N VAL A 69 1.697 17.789 -3.810 1.00 0.00 N ATOM 1043 CA VAL A 69 2.463 17.858 -2.572 1.00 0.00 C ATOM 1044 C VAL A 69 1.649 18.576 -1.479 1.00 0.00 C ATOM 1045 O VAL A 69 1.601 18.150 -0.332 1.00 0.00 O ATOM 1046 CB VAL A 69 3.829 18.532 -2.851 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.772 18.340 -1.660 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.542 17.983 -4.099 1.00 0.00 C ATOM 0 H VAL A 69 2.226 18.143 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 69 2.665 16.855 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 69 3.603 19.585 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.728 18.819 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.330 18.789 -0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.930 17.275 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.492 18.501 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.725 16.916 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.915 18.143 -4.976 1.00 0.00 H new ATOM 1058 N PHE A 70 0.926 19.638 -1.811 1.00 0.00 N ATOM 1059 CA PHE A 70 0.210 20.416 -0.800 1.00 0.00 C ATOM 1060 C PHE A 70 -1.067 19.742 -0.278 1.00 0.00 C ATOM 1061 O PHE A 70 -1.611 20.198 0.731 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.087 21.788 -1.404 1.00 0.00 C ATOM 1063 CG PHE A 70 0.985 22.814 -1.075 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.153 23.255 0.253 1.00 0.00 C ATOM 1065 CD2 PHE A 70 1.859 23.287 -2.071 1.00 0.00 C ATOM 1066 CE1 PHE A 70 2.174 24.163 0.580 1.00 0.00 C ATOM 1067 CE2 PHE A 70 2.895 24.176 -1.737 1.00 0.00 C ATOM 1068 CZ PHE A 70 3.053 24.623 -0.415 1.00 0.00 C ATOM 0 H PHE A 70 0.818 19.981 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 70 0.844 20.502 0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.175 21.693 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.050 22.143 -1.036 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.491 22.892 1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.733 22.966 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.283 24.508 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.575 24.518 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.844 25.315 -0.165 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.537 18.680 -0.938 1.00 0.00 N ATOM 1079 CA ASP A 71 -2.745 17.942 -0.569 1.00 0.00 C ATOM 1080 C ASP A 71 -2.368 16.775 0.330 1.00 0.00 C ATOM 1081 O ASP A 71 -3.034 16.502 1.330 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.457 17.419 -1.836 1.00 0.00 C ATOM 1083 CG ASP A 71 -3.910 18.502 -2.821 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -4.236 19.634 -2.399 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -3.972 18.220 -4.045 1.00 0.00 O ATOM 0 H ASP A 71 -1.075 18.301 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.423 18.608 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.785 16.735 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.328 16.840 -1.531 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.275 16.090 -0.005 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.859 14.890 0.702 1.00 0.00 C ATOM 1092 C CYS A 72 -0.494 15.232 2.155 1.00 0.00 C ATOM 1093 O CYS A 72 -0.963 14.578 3.077 1.00 0.00 O ATOM 1094 CB CYS A 72 0.247 14.200 -0.096 1.00 0.00 C ATOM 1095 SG CYS A 72 1.708 15.217 -0.295 1.00 0.00 S ATOM 0 H CYS A 72 -0.658 16.354 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.674 14.170 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.523 13.272 0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -0.137 13.930 -1.080 1.00 0.00 H new ATOM 0 HG CYS A 72 1.364 16.471 -0.318 1.00 0.00 H new ATOM 1101 N GLN A 73 0.186 16.361 2.371 1.00 0.00 N ATOM 1102 CA GLN A 73 0.510 17.038 3.620 1.00 0.00 C ATOM 1103 C GLN A 73 -0.684 17.285 4.542 1.00 0.00 C ATOM 1104 O GLN A 73 -0.482 17.669 5.697 1.00 0.00 O ATOM 1105 CB GLN A 73 1.203 18.370 3.241 1.00 0.00 C ATOM 1106 CG GLN A 73 2.733 18.248 3.218 1.00 0.00 C ATOM 1107 CD GLN A 73 3.235 17.124 2.322 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.063 15.958 2.621 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.845 17.412 1.200 1.00 0.00 N ATOM 0 H GLN A 73 0.565 16.879 1.578 1.00 0.00 H new ATOM 0 HA GLN A 73 1.160 16.386 4.203 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.852 18.693 2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.914 19.143 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.161 19.192 2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.092 18.082 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.996 18.386 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.169 16.663 0.589 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.924 17.082 4.095 1.00 0.00 N ATOM 1119 CA LYS A 74 -3.094 17.173 4.937 1.00 0.00 C ATOM 1120 C LYS A 74 -3.498 15.776 5.400 1.00 0.00 C ATOM 1121 O LYS A 74 -3.834 15.581 6.568 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.214 17.883 4.171 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.735 19.204 3.544 1.00 0.00 C ATOM 1124 CD LYS A 74 -4.826 20.278 3.485 1.00 0.00 C ATOM 1125 CE LYS A 74 -4.300 21.386 2.572 1.00 0.00 C ATOM 1126 NZ LYS A 74 -5.151 22.590 2.525 1.00 0.00 N ATOM 0 H LYS A 74 -2.135 16.848 3.125 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.881 17.762 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.591 17.225 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.045 18.083 4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.890 19.585 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.372 19.009 2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.756 19.864 3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.042 20.666 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.303 21.673 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.196 20.989 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.725 23.291 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.097 22.333 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.232 22.996 3.479 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.448 14.799 4.498 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.673 13.394 4.814 1.00 0.00 C ATOM 1142 C ALA A 75 -2.594 12.817 5.744 1.00 0.00 C ATOM 1143 O ALA A 75 -2.905 11.985 6.601 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.695 12.619 3.498 1.00 0.00 C ATOM 0 H ALA A 75 -3.247 14.966 3.512 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.620 13.303 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.862 11.561 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.498 12.998 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.741 12.744 2.986 1.00 0.00 H new ATOM 1150 N MET A 76 -1.338 13.229 5.553 1.00 0.00 N ATOM 1151 CA MET A 76 -0.104 12.600 6.033 1.00 0.00 C ATOM 1152 C MET A 76 -0.123 12.321 7.533 1.00 0.00 C ATOM 1153 O MET A 76 0.261 11.228 7.958 1.00 0.00 O ATOM 1154 CB MET A 76 1.030 13.555 5.619 1.00 0.00 C ATOM 1155 CG MET A 76 2.521 13.297 5.804 1.00 0.00 C ATOM 1156 SD MET A 76 3.144 12.894 7.452 1.00 0.00 S ATOM 1157 CE MET A 76 3.580 11.212 6.994 1.00 0.00 C ATOM 0 H MET A 76 -1.142 14.075 5.018 1.00 0.00 H new ATOM 0 HA MET A 76 0.030 11.612 5.592 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.891 13.735 4.553 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.827 14.496 6.131 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.798 12.479 5.139 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.053 14.183 5.459 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.409 10.548 7.842 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.964 10.893 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.631 11.173 6.709 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.601 13.269 8.342 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.807 13.004 9.765 1.00 0.00 C ATOM 1169 C GLN A 77 -2.266 12.670 10.082 1.00 0.00 C ATOM 1170 O GLN A 77 -2.508 11.884 11.000 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.354 14.198 10.612 1.00 0.00 C ATOM 1172 CG GLN A 77 1.139 14.550 10.499 1.00 0.00 C ATOM 1173 CD GLN A 77 1.565 15.524 11.604 1.00 0.00 C ATOM 1174 OE1 GLN A 77 0.744 16.027 12.367 1.00 0.00 O ATOM 1175 NE2 GLN A 77 2.852 15.760 11.772 1.00 0.00 N ATOM 0 H GLN A 77 -0.849 14.212 8.042 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.200 12.134 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.940 15.071 10.324 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.584 13.990 11.657 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.736 13.640 10.563 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.338 14.993 9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.534 15.343 11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.165 16.360 12.535 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.233 13.224 9.340 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.658 13.144 9.667 1.00 0.00 C ATOM 1186 C GLY A 78 -5.250 11.740 9.525 1.00 0.00 C ATOM 1187 O GLY A 78 -6.385 11.494 9.941 1.00 0.00 O ATOM 0 H GLY A 78 -3.043 13.747 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.805 13.488 10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.208 13.827 9.019 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.494 10.800 8.955 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.890 9.412 8.752 1.00 0.00 C ATOM 1193 C LEU A 79 -3.908 8.427 9.391 1.00 0.00 C ATOM 1194 O LEU A 79 -4.070 7.213 9.211 1.00 0.00 O ATOM 1195 CB LEU A 79 -5.034 9.163 7.242 1.00 0.00 C ATOM 1196 CG LEU A 79 -6.280 9.801 6.601 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -6.149 9.766 5.079 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.550 9.051 7.026 1.00 0.00 C ATOM 0 H LEU A 79 -3.554 10.996 8.610 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.845 9.241 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.147 9.546 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.062 8.088 7.066 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.355 10.835 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.032 10.218 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.262 10.323 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.060 8.732 4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.420 9.517 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.482 8.011 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.651 9.092 8.111 1.00 0.00 H new ATOM 1210 N THR A 80 -2.870 8.882 10.105 1.00 0.00 N ATOM 1211 CA THR A 80 -1.922 7.939 10.683 1.00 0.00 C ATOM 1212 C THR A 80 -2.646 7.241 11.849 1.00 0.00 C ATOM 1213 O THR A 80 -3.437 7.861 12.566 1.00 0.00 O ATOM 1214 CB THR A 80 -0.607 8.641 11.063 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.451 7.699 11.029 1.00 0.00 O ATOM 1216 CG2 THR A 80 -0.587 9.250 12.461 1.00 0.00 C ATOM 0 H THR A 80 -2.674 9.866 10.289 1.00 0.00 H new ATOM 0 HA THR A 80 -1.610 7.176 9.970 1.00 0.00 H new ATOM 0 HB THR A 80 -0.501 9.449 10.340 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.101 7.961 10.344 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.379 9.722 12.638 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.376 9.997 12.544 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.750 8.467 13.201 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.403 5.948 12.052 1.00 0.00 N ATOM 1225 CA GLY A 81 -3.011 5.175 13.127 1.00 0.00 C ATOM 1226 C GLY A 81 -4.418 4.689 12.782 1.00 0.00 C ATOM 1227 O GLY A 81 -5.018 3.964 13.571 1.00 0.00 O ATOM 0 H GLY A 81 -1.770 5.403 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.380 4.316 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.053 5.786 14.029 1.00 0.00 H new ATOM 1231 N ARG A 82 -4.967 5.048 11.615 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.212 4.481 11.124 1.00 0.00 C ATOM 1233 C ARG A 82 -6.050 2.981 10.869 1.00 0.00 C ATOM 1234 O ARG A 82 -4.954 2.426 10.951 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.613 5.228 9.842 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.070 6.672 10.088 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.485 6.779 10.673 1.00 0.00 C ATOM 1238 NE ARG A 82 -8.722 8.130 11.212 1.00 0.00 N ATOM 1239 CZ ARG A 82 -9.679 9.003 10.889 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -10.534 8.762 9.906 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -9.769 10.137 11.571 1.00 0.00 N ATOM 0 H ARG A 82 -4.554 5.741 10.990 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.000 4.598 11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.766 5.236 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.417 4.681 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.368 7.155 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.033 7.221 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.221 6.555 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.615 6.039 11.462 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.066 8.440 11.929 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.470 7.893 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.256 9.446 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.113 10.330 12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.494 10.816 11.338 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.148 2.324 10.511 1.00 0.00 N ATOM 1256 CA LYS A 83 -7.208 0.923 10.155 1.00 0.00 C ATOM 1257 C LYS A 83 -7.859 0.852 8.791 1.00 0.00 C ATOM 1258 O LYS A 83 -9.082 0.850 8.697 1.00 0.00 O ATOM 1259 CB LYS A 83 -7.991 0.115 11.202 1.00 0.00 C ATOM 1260 CG LYS A 83 -7.383 0.179 12.616 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.409 0.652 13.650 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.639 2.159 13.490 1.00 0.00 C ATOM 1263 NZ LYS A 83 -9.731 2.659 14.344 1.00 0.00 N ATOM 0 H LYS A 83 -8.059 2.781 10.461 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.211 0.484 10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.016 0.484 11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.038 -0.926 10.883 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.010 -0.806 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.528 0.855 12.615 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.348 0.114 13.519 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.054 0.432 14.657 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.719 2.691 13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.868 2.379 12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.845 3.682 14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.616 2.173 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.503 2.475 15.342 1.00 0.00 H new ATOM 1277 N PHE A 84 -7.057 0.781 7.731 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.574 0.794 6.352 1.00 0.00 C ATOM 1279 C PHE A 84 -8.028 -0.609 5.902 1.00 0.00 C ATOM 1280 O PHE A 84 -8.282 -0.853 4.725 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.464 1.317 5.435 1.00 0.00 C ATOM 1282 CG PHE A 84 -6.241 2.817 5.305 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.446 3.716 6.370 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.810 3.321 4.063 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.279 5.098 6.164 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.631 4.697 3.857 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.907 5.589 4.900 1.00 0.00 C ATOM 0 H PHE A 84 -6.041 0.713 7.795 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.450 1.441 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.526 0.876 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.657 0.928 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.731 3.345 7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.613 2.635 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.437 5.786 6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.284 5.065 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.834 6.654 4.734 1.00 0.00 H new ATOM 1297 N ALA A 85 -8.155 -1.515 6.866 1.00 0.00 N ATOM 1298 CA ALA A 85 -8.744 -2.832 6.769 1.00 0.00 C ATOM 1299 C ALA A 85 -9.059 -3.220 8.207 1.00 0.00 C ATOM 1300 O ALA A 85 -10.182 -3.028 8.678 1.00 0.00 O ATOM 1301 CB ALA A 85 -7.777 -3.812 6.099 1.00 0.00 C ATOM 0 H ALA A 85 -7.819 -1.324 7.810 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.641 -2.849 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.241 -4.796 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.539 -3.459 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.862 -3.879 6.687 1.00 0.00 H new ATOM 1307 N ASN A 86 -8.027 -3.636 8.950 1.00 0.00 N ATOM 1308 CA ASN A 86 -8.126 -3.987 10.369 1.00 0.00 C ATOM 1309 C ASN A 86 -6.870 -3.632 11.172 1.00 0.00 C ATOM 1310 O ASN A 86 -6.941 -3.519 12.391 1.00 0.00 O ATOM 1311 CB ASN A 86 -8.382 -5.498 10.486 1.00 0.00 C ATOM 1312 CG ASN A 86 -9.454 -5.807 11.521 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -9.233 -5.675 12.720 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.618 -6.247 11.081 1.00 0.00 N ATOM 0 H ASN A 86 -7.084 -3.739 8.575 1.00 0.00 H new ATOM 0 HA ASN A 86 -8.946 -3.404 10.788 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.687 -5.892 9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -7.456 -6.004 10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.356 -6.485 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.779 -6.349 10.079 1.00 0.00 H new ATOM 1321 N ARG A 87 -5.705 -3.505 10.523 1.00 0.00 N ATOM 1322 CA ARG A 87 -4.427 -3.328 11.217 1.00 0.00 C ATOM 1323 C ARG A 87 -4.099 -1.858 11.382 1.00 0.00 C ATOM 1324 O ARG A 87 -4.730 -1.009 10.763 1.00 0.00 O ATOM 1325 CB ARG A 87 -3.316 -4.050 10.447 1.00 0.00 C ATOM 1326 CG ARG A 87 -3.495 -5.571 10.535 1.00 0.00 C ATOM 1327 CD ARG A 87 -2.227 -6.310 10.987 1.00 0.00 C ATOM 1328 NE ARG A 87 -2.518 -7.676 11.461 1.00 0.00 N ATOM 1329 CZ ARG A 87 -3.072 -8.009 12.634 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -3.488 -7.067 13.477 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -3.206 -9.289 12.946 1.00 0.00 N ATOM 0 H ARG A 87 -5.624 -3.522 9.506 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.506 -3.763 12.213 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.328 -3.737 9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.344 -3.769 10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.304 -5.794 11.231 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.799 -5.950 9.560 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.521 -6.358 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.744 -5.745 11.785 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.273 -8.442 10.834 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.386 -6.082 13.232 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.909 -7.330 14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.889 -10.008 12.296 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.626 -9.556 13.836 1.00 0.00 H new ATOM 1345 N VAL A 88 -3.112 -1.570 12.224 1.00 0.00 N ATOM 1346 CA VAL A 88 -2.827 -0.207 12.678 1.00 0.00 C ATOM 1347 C VAL A 88 -1.798 0.422 11.747 1.00 0.00 C ATOM 1348 O VAL A 88 -0.639 0.000 11.712 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.342 -0.155 14.143 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -2.480 1.285 14.658 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -3.151 -1.080 15.071 1.00 0.00 C ATOM 0 H VAL A 88 -2.484 -2.274 12.613 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.758 0.360 12.646 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.306 -0.493 14.155 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.141 1.336 15.693 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.873 1.951 14.044 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.524 1.592 14.603 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.766 -1.002 16.088 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.200 -0.783 15.056 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.061 -2.110 14.727 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.243 1.392 10.958 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.515 1.959 9.835 1.00 0.00 C ATOM 1363 C VAL A 89 -0.516 3.017 10.317 1.00 0.00 C ATOM 1364 O VAL A 89 -0.766 3.767 11.265 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.578 2.509 8.858 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -2.047 3.286 7.658 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.435 1.361 8.295 1.00 0.00 C ATOM 0 H VAL A 89 -3.159 1.821 11.090 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.906 1.216 9.320 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.144 3.209 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.882 3.622 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.481 4.150 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.398 2.641 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.179 1.765 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.795 0.656 7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.938 0.847 9.114 1.00 0.00 H new ATOM 1377 N VAL A 90 0.618 3.127 9.629 1.00 0.00 N ATOM 1378 CA VAL A 90 1.669 4.105 9.901 1.00 0.00 C ATOM 1379 C VAL A 90 1.960 4.783 8.569 1.00 0.00 C ATOM 1380 O VAL A 90 2.325 4.113 7.598 1.00 0.00 O ATOM 1381 CB VAL A 90 2.896 3.403 10.521 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.082 4.360 10.694 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.551 2.824 11.899 1.00 0.00 C ATOM 0 H VAL A 90 0.838 2.518 8.841 1.00 0.00 H new ATOM 0 HA VAL A 90 1.373 4.858 10.632 1.00 0.00 H new ATOM 0 HB VAL A 90 3.176 2.608 9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.922 3.822 11.133 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.374 4.757 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.794 5.182 11.350 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.430 2.334 12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.233 3.628 12.562 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.744 2.098 11.797 1.00 0.00 H new ATOM 1393 N THR A 91 1.740 6.093 8.505 1.00 0.00 N ATOM 1394 CA THR A 91 2.174 6.885 7.369 1.00 0.00 C ATOM 1395 C THR A 91 3.699 7.046 7.378 1.00 0.00 C ATOM 1396 O THR A 91 4.376 6.893 8.405 1.00 0.00 O ATOM 1397 CB THR A 91 1.472 8.254 7.369 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.482 8.837 8.658 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.023 8.177 6.893 1.00 0.00 C ATOM 0 H THR A 91 1.262 6.626 9.231 1.00 0.00 H new ATOM 0 HA THR A 91 1.896 6.363 6.453 1.00 0.00 H new ATOM 0 HB THR A 91 2.038 8.870 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.090 9.734 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.420 9.173 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.005 7.789 5.875 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.541 7.514 7.550 1.00 0.00 H new ATOM 1407 N LYS A 92 4.235 7.375 6.209 1.00 0.00 N ATOM 1408 CA LYS A 92 5.607 7.753 5.931 1.00 0.00 C ATOM 1409 C LYS A 92 5.558 8.573 4.644 1.00 0.00 C ATOM 1410 O LYS A 92 4.610 8.410 3.871 1.00 0.00 O ATOM 1411 CB LYS A 92 6.417 6.471 5.705 1.00 0.00 C ATOM 1412 CG LYS A 92 7.799 6.513 6.338 1.00 0.00 C ATOM 1413 CD LYS A 92 8.507 5.204 5.981 1.00 0.00 C ATOM 1414 CE LYS A 92 9.816 5.069 6.746 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.267 3.666 6.764 1.00 0.00 N ATOM 0 H LYS A 92 3.668 7.383 5.361 1.00 0.00 H new ATOM 0 HA LYS A 92 6.064 8.321 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.864 5.624 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.521 6.299 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.365 7.368 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.722 6.625 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.857 4.360 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.702 5.172 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.579 5.695 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.685 5.427 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.161 3.595 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.546 3.075 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.413 3.336 5.789 1.00 0.00 H new ATOM 1429 N TYR A 93 6.570 9.385 4.359 1.00 0.00 N ATOM 1430 CA TYR A 93 6.748 9.833 2.982 1.00 0.00 C ATOM 1431 C TYR A 93 7.319 8.666 2.159 1.00 0.00 C ATOM 1432 O TYR A 93 7.903 7.744 2.735 1.00 0.00 O ATOM 1433 CB TYR A 93 7.646 11.080 2.951 1.00 0.00 C ATOM 1434 CG TYR A 93 7.042 12.324 3.586 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.778 12.792 3.184 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.747 13.029 4.581 1.00 0.00 C ATOM 1437 CE1 TYR A 93 5.228 13.934 3.781 1.00 0.00 C ATOM 1438 CE2 TYR A 93 7.204 14.178 5.181 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.925 14.628 4.790 1.00 0.00 C ATOM 1440 OH TYR A 93 5.374 15.733 5.363 1.00 0.00 O ATOM 0 H TYR A 93 7.254 9.735 5.030 1.00 0.00 H new ATOM 0 HA TYR A 93 5.796 10.124 2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.581 10.848 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.895 11.304 1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.230 12.270 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.722 12.680 4.888 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.258 14.287 3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.762 14.713 5.936 1.00 0.00 H new ATOM 0 HH TYR A 93 5.986 16.090 6.041 1.00 0.00 H new ATOM 1450 N CYS A 94 7.176 8.694 0.830 1.00 0.00 N ATOM 1451 CA CYS A 94 7.934 7.875 -0.108 1.00 0.00 C ATOM 1452 C CYS A 94 8.569 8.796 -1.156 1.00 0.00 C ATOM 1453 O CYS A 94 8.666 10.012 -0.949 1.00 0.00 O ATOM 1454 CB CYS A 94 7.032 6.791 -0.728 1.00 0.00 C ATOM 1455 SG CYS A 94 7.867 5.179 -0.673 1.00 0.00 S ATOM 0 H CYS A 94 6.506 9.309 0.367 1.00 0.00 H new ATOM 0 HA CYS A 94 8.735 7.343 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.088 6.739 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.794 7.051 -1.759 1.00 0.00 H new ATOM 0 HG CYS A 94 6.980 4.229 -0.710 1.00 0.00 H new ATOM 1461 N ASP A 95 9.033 8.228 -2.266 1.00 0.00 N ATOM 1462 CA ASP A 95 9.531 8.969 -3.422 1.00 0.00 C ATOM 1463 C ASP A 95 8.578 8.696 -4.595 1.00 0.00 C ATOM 1464 O ASP A 95 8.084 7.569 -4.693 1.00 0.00 O ATOM 1465 CB ASP A 95 10.954 8.506 -3.758 1.00 0.00 C ATOM 1466 CG ASP A 95 11.920 8.592 -2.578 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.260 9.708 -2.123 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.313 7.526 -2.046 1.00 0.00 O ATOM 0 H ASP A 95 9.074 7.216 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 95 9.567 10.038 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.918 7.476 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.340 9.112 -4.578 1.00 0.00 H new ATOM 1473 N PRO A 96 8.311 9.665 -5.486 1.00 0.00 N ATOM 1474 CA PRO A 96 7.392 9.495 -6.608 1.00 0.00 C ATOM 1475 C PRO A 96 8.029 8.769 -7.796 1.00 0.00 C ATOM 1476 O PRO A 96 7.331 8.093 -8.543 1.00 0.00 O ATOM 1477 CB PRO A 96 6.963 10.913 -7.000 1.00 0.00 C ATOM 1478 CG PRO A 96 8.180 11.744 -6.619 1.00 0.00 C ATOM 1479 CD PRO A 96 8.731 11.046 -5.385 1.00 0.00 C ATOM 0 HA PRO A 96 6.548 8.869 -6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.737 10.989 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.070 11.230 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.914 11.769 -7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.907 12.777 -6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.818 11.121 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.348 11.505 -4.474 1.00 0.00 H new ATOM 1487 N ASP A 97 9.347 8.860 -7.990 1.00 0.00 N ATOM 1488 CA ASP A 97 9.948 8.269 -9.184 1.00 0.00 C ATOM 1489 C ASP A 97 9.791 6.757 -9.172 1.00 0.00 C ATOM 1490 O ASP A 97 9.479 6.142 -10.191 1.00 0.00 O ATOM 1491 CB ASP A 97 11.433 8.606 -9.285 1.00 0.00 C ATOM 1492 CG ASP A 97 11.703 9.285 -10.624 1.00 0.00 C ATOM 1493 OD1 ASP A 97 11.763 8.580 -11.658 1.00 0.00 O ATOM 1494 OD2 ASP A 97 11.787 10.540 -10.632 1.00 0.00 O ATOM 0 H ASP A 97 10.000 9.322 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 97 9.428 8.688 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.726 9.262 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.031 7.699 -9.196 1.00 0.00 H new ATOM 1499 N SER A 98 10.006 6.160 -7.997 1.00 0.00 N ATOM 1500 CA SER A 98 9.845 4.738 -7.814 1.00 0.00 C ATOM 1501 C SER A 98 8.351 4.358 -7.815 1.00 0.00 C ATOM 1502 O SER A 98 8.039 3.189 -8.027 1.00 0.00 O ATOM 1503 CB SER A 98 10.561 4.269 -6.532 1.00 0.00 C ATOM 1504 OG SER A 98 10.495 5.193 -5.451 1.00 0.00 O ATOM 0 H SER A 98 10.295 6.658 -7.155 1.00 0.00 H new ATOM 0 HA SER A 98 10.313 4.221 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.125 3.322 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.608 4.075 -6.765 1.00 0.00 H new ATOM 0 HG SER A 98 10.969 4.825 -4.676 1.00 0.00 H new ATOM 1510 N TYR A 99 7.443 5.320 -7.576 1.00 0.00 N ATOM 1511 CA TYR A 99 5.990 5.162 -7.507 1.00 0.00 C ATOM 1512 C TYR A 99 5.387 4.954 -8.888 1.00 0.00 C ATOM 1513 O TYR A 99 4.575 4.051 -9.097 1.00 0.00 O ATOM 1514 CB TYR A 99 5.352 6.412 -6.873 1.00 0.00 C ATOM 1515 CG TYR A 99 3.910 6.210 -6.495 1.00 0.00 C ATOM 1516 CD1 TYR A 99 2.882 6.291 -7.457 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.596 5.958 -5.156 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.567 5.946 -7.115 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.272 5.693 -4.798 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.260 5.612 -5.781 1.00 0.00 C ATOM 1521 OH TYR A 99 -0.021 5.329 -5.432 1.00 0.00 O ATOM 0 H TYR A 99 7.728 6.286 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 99 5.785 4.282 -6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.919 6.691 -5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.425 7.245 -7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.109 6.620 -8.460 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.371 5.968 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.794 5.936 -7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.019 5.548 -3.758 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.568 6.138 -5.513 1.00 0.00 H new ATOM 1531 N HIS A 100 5.823 5.771 -9.848 1.00 0.00 N ATOM 1532 CA HIS A 100 5.470 5.630 -11.254 1.00 0.00 C ATOM 1533 C HIS A 100 5.984 4.307 -11.840 1.00 0.00 C ATOM 1534 O HIS A 100 5.683 3.968 -12.988 1.00 0.00 O ATOM 1535 CB HIS A 100 6.095 6.797 -12.026 1.00 0.00 C ATOM 1536 CG HIS A 100 5.803 8.172 -11.474 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.714 9.202 -11.406 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.624 8.626 -10.941 1.00 0.00 C ATOM 1539 CE1 HIS A 100 6.105 10.259 -10.855 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.819 9.972 -10.609 1.00 0.00 N ATOM 0 H HIS A 100 6.441 6.561 -9.663 1.00 0.00 H new ATOM 0 HA HIS A 100 4.384 5.634 -11.342 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.176 6.656 -12.051 1.00 0.00 H new ATOM 0 HB3 HIS A 100 5.745 6.757 -13.057 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.718 8.054 -10.804 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.580 11.205 -10.640 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.114 10.614 -10.247 1.00 0.00 H new ATOM 1548 N ARG A 101 6.794 3.564 -11.090 1.00 0.00 N ATOM 1549 CA ARG A 101 7.658 2.471 -11.503 1.00 0.00 C ATOM 1550 C ARG A 101 7.459 1.339 -10.495 1.00 0.00 C ATOM 1551 O ARG A 101 6.414 1.271 -9.851 1.00 0.00 O ATOM 1552 CB ARG A 101 9.097 3.007 -11.626 1.00 0.00 C ATOM 1553 CG ARG A 101 9.177 4.055 -12.754 1.00 0.00 C ATOM 1554 CD ARG A 101 10.586 4.567 -13.029 1.00 0.00 C ATOM 1555 NE ARG A 101 11.435 3.503 -13.588 1.00 0.00 N ATOM 1556 CZ ARG A 101 12.587 3.060 -13.082 1.00 0.00 C ATOM 1557 NH1 ARG A 101 13.106 3.589 -11.979 1.00 0.00 N ATOM 1558 NH2 ARG A 101 13.230 2.076 -13.692 1.00 0.00 N ATOM 0 H ARG A 101 6.866 3.731 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 101 7.420 2.062 -12.485 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.409 3.453 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.783 2.186 -11.833 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.775 3.620 -13.669 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.539 4.900 -12.496 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.543 5.405 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.027 4.941 -12.105 1.00 0.00 H new ATOM 0 HE ARG A 101 11.110 3.060 -14.448 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.622 4.349 -11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.988 3.235 -11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.844 1.664 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.112 1.731 -13.313 1.00 0.00 H new ATOM 1572 N ARG A 102 8.365 0.367 -10.456 1.00 0.00 N ATOM 1573 CA ARG A 102 8.240 -0.841 -9.652 1.00 0.00 C ATOM 1574 C ARG A 102 9.506 -1.015 -8.807 1.00 0.00 C ATOM 1575 O ARG A 102 10.018 -2.129 -8.678 1.00 0.00 O ATOM 1576 CB ARG A 102 7.932 -1.991 -10.627 1.00 0.00 C ATOM 1577 CG ARG A 102 6.955 -3.051 -10.119 1.00 0.00 C ATOM 1578 CD ARG A 102 7.560 -4.032 -9.113 1.00 0.00 C ATOM 1579 NE ARG A 102 6.725 -5.240 -8.966 1.00 0.00 N ATOM 1580 CZ ARG A 102 6.787 -6.330 -9.749 1.00 0.00 C ATOM 1581 NH1 ARG A 102 7.543 -6.354 -10.839 1.00 0.00 N ATOM 1582 NH2 ARG A 102 6.089 -7.420 -9.443 1.00 0.00 N ATOM 0 H ARG A 102 9.229 0.400 -10.998 1.00 0.00 H new ATOM 0 HA ARG A 102 7.426 -0.805 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.530 -1.565 -11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.869 -2.483 -10.887 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.104 -2.552 -9.656 1.00 0.00 H new ATOM 0 HG3 ARG A 102 6.571 -3.612 -10.971 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.560 -4.317 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.667 -3.542 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 102 6.044 -5.248 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.092 -5.534 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.575 -7.192 -11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.502 -7.432 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.141 -8.244 -10.042 1.00 0.00 H new ATOM 1596 N ASP A 103 10.037 0.090 -8.271 1.00 0.00 N ATOM 1597 CA ASP A 103 11.329 0.151 -7.570 1.00 0.00 C ATOM 1598 C ASP A 103 11.148 0.544 -6.103 1.00 0.00 C ATOM 1599 O ASP A 103 11.852 1.402 -5.566 1.00 0.00 O ATOM 1600 CB ASP A 103 12.344 1.038 -8.316 1.00 0.00 C ATOM 1601 CG ASP A 103 13.745 0.437 -8.147 1.00 0.00 C ATOM 1602 OD1 ASP A 103 13.985 -0.628 -8.768 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.591 0.943 -7.373 1.00 0.00 O ATOM 0 H ASP A 103 9.567 0.994 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 103 11.757 -0.851 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.085 1.100 -9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.319 2.054 -7.921 1.00 0.00 H new ATOM 1608 N PHE A 104 10.137 -0.047 -5.464 1.00 0.00 N ATOM 1609 CA PHE A 104 9.861 0.109 -4.039 1.00 0.00 C ATOM 1610 C PHE A 104 10.986 -0.561 -3.234 1.00 0.00 C ATOM 1611 O PHE A 104 11.804 -1.274 -3.816 1.00 0.00 O ATOM 1612 CB PHE A 104 8.490 -0.517 -3.722 1.00 0.00 C ATOM 1613 CG PHE A 104 7.461 -0.443 -4.844 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.076 0.800 -5.384 1.00 0.00 C ATOM 1615 CD2 PHE A 104 6.968 -1.632 -5.419 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.194 0.850 -6.479 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.087 -1.579 -6.512 1.00 0.00 C ATOM 1618 CZ PHE A 104 5.692 -0.338 -7.035 1.00 0.00 C ATOM 0 H PHE A 104 9.473 -0.661 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 104 9.827 1.163 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.640 -1.564 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.079 -0.023 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.458 1.715 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.269 -2.588 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.902 1.804 -6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.714 -2.493 -6.950 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.002 -0.297 -7.865 1.00 0.00 H new