USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 hydrogens (6 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 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 61:sc= 0.555 USER MOD Set 2.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.588) USER MOD Set 3.1: A 50 THR OG1 : rot -112:sc= 0.24 USER MOD Set 3.2: A 169 HC4 O4' : rot -60:sc= 0.396 USER MOD Set 4.1: A 32 GLN : amide:sc= -0.0298 K(o=0.26,f=-2.2) USER MOD Set 4.2: A 41 GLN : amide:sc= -0.751 K(o=0.26,f=-1.5!) USER MOD Set 4.3: A 117 SER OG : rot -63:sc= 1.04 USER MOD Single : A 38 ASN : amide:sc= 0.182 K(o=0.18,f=-1.6) USER MOD Single : A 42 TYR OH : rot 166:sc= 0.481 USER MOD Single : A 43 ASN : amide:sc= -0.493 K(o=-0.49,f=-4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.592 K(o=-0.59,f=-4.9!) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 0.676 (180deg=0.535) USER MOD Single : A 61 ASN : amide:sc= -0.0453 K(o=-0.045,f=-3.4!) USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= 1.02 (180deg=-0.0611!) USER MOD Single : A 70 THR OG1 : rot -100:sc= 0 USER MOD Single : A 72 SER OG : rot 90:sc= -1.21 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= -0.0669 (180deg=-0.213) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.376 X(o=-0.38,f=-0.37) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 30:sc= 0.545 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.791 K(o=-0.79,f=-4.6!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.099 (180deg=-0.473) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.011) USER MOD Single : A 109 MET CE :methyl 175:sc= -2.49! (180deg=-2.57!) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc=-0.000722 (180deg=-0.0801) USER MOD Single : A 111 LYS NZ :NH3+ -126:sc= 1.17 (180deg=-0.12) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 123 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0109) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 -11.577 -6.828 12.049 1.00 2.56 N ATOM 2 CA LEU A 26 -10.203 -6.728 11.515 1.00 1.97 C ATOM 3 C LEU A 26 -9.400 -5.702 12.302 1.00 1.87 C ATOM 4 O LEU A 26 -9.956 -4.958 13.115 1.00 2.52 O ATOM 5 CB LEU A 26 -10.206 -6.416 9.992 1.00 2.20 C ATOM 6 CG LEU A 26 -10.746 -5.063 9.495 1.00 2.82 C ATOM 7 CD1 LEU A 26 -12.145 -4.765 10.006 1.00 3.22 C ATOM 8 CD2 LEU A 26 -9.794 -3.918 9.814 1.00 3.34 C ATOM 0 HA LEU A 26 -9.718 -7.696 11.636 1.00 1.97 H new ATOM 0 HB2 LEU A 26 -9.179 -6.507 9.638 1.00 2.20 H new ATOM 0 HB3 LEU A 26 -10.783 -7.199 9.500 1.00 2.20 H new ATOM 0 HG LEU A 26 -10.815 -5.149 8.411 1.00 2.82 H new ATOM 0 HD11 LEU A 26 -12.474 -3.799 9.624 1.00 3.22 H new ATOM 0 HD12 LEU A 26 -12.830 -5.542 9.666 1.00 3.22 H new ATOM 0 HD13 LEU A 26 -12.137 -4.740 11.096 1.00 3.22 H new ATOM 0 HD21 LEU A 26 -10.214 -2.982 9.446 1.00 3.34 H new ATOM 0 HD22 LEU A 26 -9.652 -3.852 10.893 1.00 3.34 H new ATOM 0 HD23 LEU A 26 -8.833 -4.099 9.332 1.00 3.34 H new ATOM 20 N ALA A 27 -8.096 -5.671 12.072 1.00 1.72 N ATOM 21 CA ALA A 27 -7.223 -4.716 12.731 1.00 2.23 C ATOM 22 C ALA A 27 -6.049 -4.366 11.829 1.00 2.04 C ATOM 23 O ALA A 27 -5.174 -5.202 11.596 1.00 2.86 O ATOM 24 CB ALA A 27 -6.726 -5.268 14.060 1.00 2.90 C ATOM 0 H ALA A 27 -7.618 -6.302 11.429 1.00 1.72 H new ATOM 0 HA ALA A 27 -7.793 -3.809 12.931 1.00 2.23 H new ATOM 0 HB1 ALA A 27 -6.074 -4.536 14.537 1.00 2.90 H new ATOM 0 HB2 ALA A 27 -7.577 -5.473 14.710 1.00 2.90 H new ATOM 0 HB3 ALA A 27 -6.171 -6.190 13.886 1.00 2.90 H new ATOM 30 N PHE A 28 -6.068 -3.139 11.309 1.00 1.27 N ATOM 31 CA PHE A 28 -5.008 -2.618 10.439 1.00 1.21 C ATOM 32 C PHE A 28 -4.997 -3.300 9.075 1.00 0.94 C ATOM 33 O PHE A 28 -5.217 -4.506 8.953 1.00 0.94 O ATOM 34 CB PHE A 28 -3.625 -2.754 11.090 1.00 1.52 C ATOM 35 CG PHE A 28 -3.364 -1.775 12.197 1.00 1.96 C ATOM 36 CD1 PHE A 28 -2.794 -0.540 11.935 1.00 2.75 C ATOM 37 CD2 PHE A 28 -3.703 -2.089 13.502 1.00 2.12 C ATOM 38 CE1 PHE A 28 -2.567 0.362 12.955 1.00 3.75 C ATOM 39 CE2 PHE A 28 -3.477 -1.191 14.527 1.00 2.99 C ATOM 40 CZ PHE A 28 -2.856 0.036 14.241 1.00 3.85 C ATOM 0 H PHE A 28 -6.822 -2.473 11.479 1.00 1.27 H new ATOM 0 HA PHE A 28 -5.229 -1.561 10.293 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -3.519 -3.765 11.483 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -2.861 -2.629 10.322 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -2.524 -0.280 10.922 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -4.150 -3.048 13.721 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -2.156 1.335 12.728 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -3.775 -1.430 15.537 1.00 2.99 H new ATOM 0 HZ PHE A 28 -2.609 0.718 15.041 1.00 3.85 H new ATOM 50 N GLY A 29 -4.718 -2.517 8.050 1.00 0.85 N ATOM 51 CA GLY A 29 -4.581 -3.063 6.723 1.00 0.73 C ATOM 52 C GLY A 29 -3.124 -3.174 6.359 1.00 0.63 C ATOM 53 O GLY A 29 -2.394 -2.182 6.401 1.00 0.69 O ATOM 0 H GLY A 29 -4.583 -1.508 8.115 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -5.052 -4.045 6.674 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.096 -2.426 6.004 1.00 0.73 H new ATOM 57 N ALA A 30 -2.688 -4.373 6.011 1.00 0.66 N ATOM 58 CA ALA A 30 -1.272 -4.633 5.848 1.00 0.59 C ATOM 59 C ALA A 30 -0.968 -5.009 4.417 1.00 0.56 C ATOM 60 O ALA A 30 -1.254 -6.123 3.987 1.00 0.65 O ATOM 61 CB ALA A 30 -0.821 -5.734 6.798 1.00 0.71 C ATOM 0 H ALA A 30 -3.292 -5.176 5.837 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.722 -3.724 6.090 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.245 -5.917 6.663 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -1.009 -5.426 7.827 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.376 -6.648 6.585 1.00 0.71 H new ATOM 67 N ILE A 31 -0.402 -4.074 3.683 1.00 0.49 N ATOM 68 CA ILE A 31 -0.043 -4.310 2.305 1.00 0.53 C ATOM 69 C ILE A 31 1.468 -4.397 2.181 1.00 0.43 C ATOM 70 O ILE A 31 2.180 -3.423 2.402 1.00 0.49 O ATOM 71 CB ILE A 31 -0.497 -3.348 1.513 1.00 0.62 C ATOM 72 CG1 ILE A 31 -2.001 -3.134 1.716 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.197 -3.676 0.050 1.00 1.08 C ATOM 74 CD1 ILE A 31 -2.569 -1.992 0.898 1.00 0.96 C ATOM 0 H ILE A 31 -0.180 -3.138 4.023 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.499 -5.250 1.993 1.00 0.53 H new ATOM 0 HB ILE A 31 0.015 -2.422 1.776 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.528 -4.052 1.457 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.193 -2.944 2.772 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.576 -2.877 -0.587 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.880 -3.770 -0.088 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -0.681 -4.615 -0.219 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -3.637 -1.901 1.093 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -2.069 -1.063 1.173 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.410 -2.189 -0.162 1.00 0.96 H new ATOM 86 N GLN A 32 1.964 -5.561 1.825 1.00 0.39 N ATOM 87 CA GLN A 32 3.390 -5.723 1.632 1.00 0.34 C ATOM 88 C GLN A 32 3.682 -5.698 0.151 1.00 0.33 C ATOM 89 O GLN A 32 3.239 -6.572 -0.592 1.00 0.36 O ATOM 90 CB GLN A 32 3.898 -7.033 2.237 1.00 0.37 C ATOM 91 CG GLN A 32 5.390 -7.247 2.013 1.00 0.53 C ATOM 92 CD GLN A 32 5.880 -8.596 2.493 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.134 -9.573 2.507 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.147 -8.662 2.870 1.00 0.86 N ATOM 0 H GLN A 32 1.409 -6.402 1.664 1.00 0.39 H new ATOM 0 HA GLN A 32 3.905 -4.907 2.139 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.691 -7.038 3.307 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.347 -7.867 1.802 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.609 -7.146 0.950 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.944 -6.462 2.529 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.731 -7.826 2.843 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.539 -9.548 3.188 1.00 0.86 H new ATOM 103 N LEU A 33 4.398 -4.677 -0.283 1.00 0.38 N ATOM 104 CA LEU A 33 4.715 -4.542 -1.683 1.00 0.41 C ATOM 105 C LEU A 33 6.196 -4.266 -1.872 1.00 0.33 C ATOM 106 O LEU A 33 6.883 -3.841 -0.943 1.00 0.36 O ATOM 107 CB LEU A 33 3.865 -3.460 -2.370 1.00 0.56 C ATOM 108 CG LEU A 33 3.914 -2.055 -1.762 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.517 -1.023 -2.804 1.00 1.24 C ATOM 110 CD2 LEU A 33 2.984 -1.950 -0.567 1.00 1.62 C ATOM 0 H LEU A 33 4.767 -3.936 0.313 1.00 0.38 H new ATOM 0 HA LEU A 33 4.472 -5.490 -2.162 1.00 0.41 H new ATOM 0 HB2 LEU A 33 4.180 -3.391 -3.411 1.00 0.56 H new ATOM 0 HB3 LEU A 33 2.827 -3.793 -2.372 1.00 0.56 H new ATOM 0 HG LEU A 33 4.934 -1.865 -1.429 1.00 0.91 H new ATOM 0 HD11 LEU A 33 3.555 -0.027 -2.363 1.00 1.24 H new ATOM 0 HD12 LEU A 33 4.207 -1.073 -3.647 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.504 -1.228 -3.151 1.00 1.24 H new ATOM 0 HD21 LEU A 33 3.036 -0.943 -0.153 1.00 1.62 H new ATOM 0 HD22 LEU A 33 1.962 -2.160 -0.882 1.00 1.62 H new ATOM 0 HD23 LEU A 33 3.285 -2.671 0.193 1.00 1.62 H new ATOM 122 N ASP A 34 6.681 -4.515 -3.076 1.00 0.33 N ATOM 123 CA ASP A 34 8.105 -4.371 -3.376 1.00 0.34 C ATOM 124 C ASP A 34 8.361 -3.086 -4.157 1.00 0.40 C ATOM 125 O ASP A 34 7.419 -2.418 -4.578 1.00 0.43 O ATOM 126 CB ASP A 34 8.635 -5.586 -4.148 1.00 0.38 C ATOM 127 CG ASP A 34 8.482 -5.462 -5.656 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.362 -5.190 -6.136 1.00 0.89 O ATOM 129 OD2 ASP A 34 9.490 -5.634 -6.370 1.00 1.22 O ATOM 0 H ASP A 34 6.113 -4.819 -3.867 1.00 0.33 H new ATOM 0 HA ASP A 34 8.643 -4.315 -2.430 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.689 -5.727 -3.908 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.109 -6.479 -3.810 1.00 0.38 H new ATOM 134 N GLY A 35 9.638 -2.737 -4.308 1.00 0.47 N ATOM 135 CA GLY A 35 10.027 -1.477 -4.929 1.00 0.57 C ATOM 136 C GLY A 35 9.435 -1.245 -6.311 1.00 0.64 C ATOM 137 O GLY A 35 9.329 -0.098 -6.752 1.00 0.79 O ATOM 0 H GLY A 35 10.423 -3.315 -4.006 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.726 -0.657 -4.277 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.114 -1.443 -5.003 1.00 0.57 H new ATOM 141 N ASP A 36 9.064 -2.317 -7.004 1.00 0.58 N ATOM 142 CA ASP A 36 8.433 -2.187 -8.314 1.00 0.66 C ATOM 143 C ASP A 36 6.939 -1.956 -8.171 1.00 0.61 C ATOM 144 O ASP A 36 6.339 -1.191 -8.929 1.00 0.78 O ATOM 145 CB ASP A 36 8.690 -3.418 -9.183 1.00 0.69 C ATOM 146 CG ASP A 36 9.902 -3.246 -10.071 1.00 1.21 C ATOM 147 OD1 ASP A 36 9.788 -2.591 -11.126 1.00 1.95 O ATOM 148 OD2 ASP A 36 10.981 -3.771 -9.718 1.00 1.56 O ATOM 0 H ASP A 36 9.188 -3.278 -6.684 1.00 0.58 H new ATOM 0 HA ASP A 36 8.879 -1.323 -8.806 1.00 0.66 H new ATOM 0 HB2 ASP A 36 8.831 -4.289 -8.543 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.814 -3.614 -9.801 1.00 0.69 H new ATOM 153 N GLY A 37 6.339 -2.614 -7.194 1.00 0.51 N ATOM 154 CA GLY A 37 4.938 -2.405 -6.924 1.00 0.53 C ATOM 155 C GLY A 37 4.146 -3.690 -6.848 1.00 0.47 C ATOM 156 O GLY A 37 2.918 -3.652 -6.829 1.00 0.53 O ATOM 0 H GLY A 37 6.799 -3.289 -6.584 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.833 -1.865 -5.983 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.515 -1.771 -7.704 1.00 0.53 H new ATOM 160 N ASN A 38 4.831 -4.828 -6.801 1.00 0.40 N ATOM 161 CA ASN A 38 4.144 -6.107 -6.688 1.00 0.39 C ATOM 162 C ASN A 38 3.556 -6.248 -5.309 1.00 0.34 C ATOM 163 O ASN A 38 4.253 -6.073 -4.309 1.00 0.40 O ATOM 164 CB ASN A 38 5.073 -7.296 -6.932 1.00 0.44 C ATOM 165 CG ASN A 38 5.531 -7.411 -8.363 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.841 -7.976 -9.210 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.705 -6.888 -8.643 1.00 1.24 N ATOM 0 H ASN A 38 5.848 -4.890 -6.839 1.00 0.40 H new ATOM 0 HA ASN A 38 3.367 -6.115 -7.453 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.945 -7.205 -6.285 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.559 -8.214 -6.647 1.00 0.44 H new ATOM 0 HD21 ASN A 38 7.074 -6.943 -9.592 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.246 -6.428 -7.911 1.00 1.24 H new ATOM 174 N ILE A 39 2.279 -6.542 -5.254 1.00 0.32 N ATOM 175 CA ILE A 39 1.630 -6.781 -3.994 1.00 0.32 C ATOM 176 C ILE A 39 1.900 -8.214 -3.552 1.00 0.36 C ATOM 177 O ILE A 39 2.160 -9.085 -4.386 1.00 0.41 O ATOM 178 CB ILE A 39 0.323 -6.591 -4.077 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.007 -5.313 -4.847 1.00 0.41 C ATOM 180 CG2 ILE A 39 -0.303 -6.539 -2.686 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.490 -5.108 -5.069 1.00 0.89 C ATOM 0 H ILE A 39 1.671 -6.621 -6.069 1.00 0.32 H new ATOM 0 HA ILE A 39 2.032 -6.075 -3.267 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.097 -7.435 -4.623 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.393 -4.457 -4.303 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.497 -5.340 -5.813 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.378 -6.382 -2.776 1.00 0.43 H new ATOM 0 HG22 ILE A 39 -0.116 -7.479 -2.167 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.137 -5.718 -2.119 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.651 -4.182 -5.621 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.892 -5.945 -5.640 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.997 -5.049 -4.106 1.00 0.89 H new ATOM 193 N LEU A 40 1.910 -8.439 -2.249 1.00 0.40 N ATOM 194 CA LEU A 40 2.121 -9.765 -1.701 1.00 0.49 C ATOM 195 C LEU A 40 1.044 -10.086 -0.683 1.00 0.56 C ATOM 196 O LEU A 40 0.198 -10.950 -0.896 1.00 0.73 O ATOM 197 CB LEU A 40 3.483 -9.836 -1.025 1.00 0.55 C ATOM 198 CG LEU A 40 4.678 -9.496 -1.920 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.980 -9.647 -1.155 1.00 1.39 C ATOM 200 CD2 LEU A 40 4.681 -10.376 -3.162 1.00 1.45 C ATOM 0 H LEU A 40 1.773 -7.712 -1.547 1.00 0.40 H new ATOM 0 HA LEU A 40 2.078 -10.489 -2.515 1.00 0.49 H new ATOM 0 HB2 LEU A 40 3.483 -9.156 -0.173 1.00 0.55 H new ATOM 0 HB3 LEU A 40 3.622 -10.842 -0.629 1.00 0.55 H new ATOM 0 HG LEU A 40 4.586 -8.457 -2.235 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.817 -9.401 -1.809 1.00 1.39 H new ATOM 0 HD12 LEU A 40 5.979 -8.973 -0.298 1.00 1.39 H new ATOM 0 HD13 LEU A 40 6.081 -10.675 -0.808 1.00 1.39 H new ATOM 0 HD21 LEU A 40 5.537 -10.121 -3.787 1.00 1.45 H new ATOM 0 HD22 LEU A 40 4.747 -11.423 -2.866 1.00 1.45 H new ATOM 0 HD23 LEU A 40 3.761 -10.215 -3.724 1.00 1.45 H new ATOM 212 N GLN A 41 1.074 -9.369 0.426 1.00 0.59 N ATOM 213 CA GLN A 41 0.131 -9.604 1.497 1.00 0.73 C ATOM 214 C GLN A 41 -0.809 -8.422 1.641 1.00 0.61 C ATOM 215 O GLN A 41 -0.394 -7.270 1.532 1.00 0.60 O ATOM 216 CB GLN A 41 0.869 -9.862 2.808 1.00 0.99 C ATOM 217 CG GLN A 41 1.899 -10.976 2.705 1.00 0.88 C ATOM 218 CD GLN A 41 2.503 -11.341 4.042 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.848 -11.255 5.080 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.763 -11.740 4.031 1.00 1.30 N ATOM 0 H GLN A 41 1.742 -8.620 0.606 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.459 -10.488 1.253 1.00 0.73 H new ATOM 0 HB2 GLN A 41 1.365 -8.945 3.125 1.00 0.99 H new ATOM 0 HB3 GLN A 41 0.144 -10.116 3.582 1.00 0.99 H new ATOM 0 HG2 GLN A 41 1.430 -11.859 2.270 1.00 0.88 H new ATOM 0 HG3 GLN A 41 2.693 -10.669 2.024 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.272 -11.798 3.149 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.226 -11.990 4.905 1.00 1.30 H new ATOM 229 N TYR A 42 -2.074 -8.732 1.853 1.00 0.68 N ATOM 230 CA TYR A 42 -3.114 -7.723 2.021 1.00 0.69 C ATOM 231 C TYR A 42 -3.755 -7.834 3.400 1.00 0.78 C ATOM 232 O TYR A 42 -4.600 -7.016 3.775 1.00 1.25 O ATOM 233 CB TYR A 42 -4.174 -7.908 0.935 1.00 0.78 C ATOM 234 CG TYR A 42 -4.246 -6.773 -0.063 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.472 -6.300 -0.516 1.00 0.83 C ATOM 236 CD2 TYR A 42 -3.089 -6.165 -0.548 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.541 -5.262 -1.425 1.00 0.80 C ATOM 238 CE2 TYR A 42 -3.156 -5.126 -1.456 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.379 -4.692 -1.905 1.00 0.63 C ATOM 240 OH TYR A 42 -4.451 -3.648 -2.794 1.00 0.71 O ATOM 0 H TYR A 42 -2.415 -9.691 1.914 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.666 -6.733 1.933 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -3.971 -8.835 0.399 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -5.148 -8.021 1.410 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.384 -6.750 -0.152 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -2.124 -6.512 -0.208 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.501 -4.898 -1.759 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.250 -4.657 -1.811 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.573 -3.219 -2.866 1.00 0.71 H new ATOM 250 N ASN A 43 -3.330 -8.852 4.152 1.00 0.89 N ATOM 251 CA ASN A 43 -3.902 -9.167 5.463 1.00 0.95 C ATOM 252 C ASN A 43 -5.380 -9.557 5.327 1.00 1.08 C ATOM 253 O ASN A 43 -5.964 -9.468 4.245 1.00 1.63 O ATOM 254 CB ASN A 43 -3.729 -7.983 6.434 1.00 0.96 C ATOM 255 CG ASN A 43 -4.028 -8.351 7.880 1.00 1.38 C ATOM 256 OD1 ASN A 43 -3.860 -9.504 8.283 1.00 2.13 O ATOM 257 ND2 ASN A 43 -4.467 -7.382 8.671 1.00 1.66 N ATOM 0 H ASN A 43 -2.579 -9.482 3.869 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.364 -10.020 5.877 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -2.708 -7.609 6.364 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.388 -7.170 6.128 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -4.678 -7.579 9.649 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -4.594 -6.440 8.301 1.00 1.66 H new ATOM 264 N ALA A 44 -5.976 -10.005 6.419 1.00 1.12 N ATOM 265 CA ALA A 44 -7.384 -10.386 6.422 1.00 1.23 C ATOM 266 C ALA A 44 -8.277 -9.164 6.599 1.00 1.22 C ATOM 267 O ALA A 44 -9.480 -9.287 6.822 1.00 1.39 O ATOM 268 CB ALA A 44 -7.649 -11.403 7.522 1.00 1.48 C ATOM 0 H ALA A 44 -5.508 -10.115 7.319 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.620 -10.840 5.459 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.703 -11.680 7.515 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.039 -12.290 7.352 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.395 -10.968 8.489 1.00 1.48 H new ATOM 274 N ALA A 45 -7.684 -7.984 6.487 1.00 1.21 N ATOM 275 CA ALA A 45 -8.414 -6.746 6.688 1.00 1.34 C ATOM 276 C ALA A 45 -8.966 -6.207 5.379 1.00 1.26 C ATOM 277 O ALA A 45 -10.184 -6.127 5.202 1.00 1.38 O ATOM 278 CB ALA A 45 -7.521 -5.710 7.349 1.00 1.52 C ATOM 0 H ALA A 45 -6.698 -7.861 6.258 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.258 -6.959 7.344 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.081 -4.786 7.494 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.183 -6.085 8.315 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.658 -5.515 6.713 1.00 1.52 H new ATOM 284 N GLU A 46 -8.070 -5.851 4.462 1.00 1.18 N ATOM 285 CA GLU A 46 -8.465 -5.230 3.204 1.00 1.23 C ATOM 286 C GLU A 46 -9.438 -6.116 2.441 1.00 1.20 C ATOM 287 O GLU A 46 -10.454 -5.646 1.942 1.00 1.42 O ATOM 288 CB GLU A 46 -7.244 -4.927 2.332 1.00 1.27 C ATOM 289 CG GLU A 46 -6.207 -4.043 3.007 1.00 1.10 C ATOM 290 CD GLU A 46 -6.808 -2.788 3.610 1.00 1.31 C ATOM 291 OE1 GLU A 46 -7.155 -2.801 4.811 1.00 2.12 O ATOM 292 OE2 GLU A 46 -6.975 -1.578 2.815 1.00 1.31 O ATOM 0 H GLU A 46 -7.064 -5.983 4.568 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.962 -4.291 3.445 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -6.773 -5.867 2.044 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.577 -4.443 1.414 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.705 -4.612 3.789 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -5.446 -3.762 2.279 1.00 1.10 H new ATOM 300 N GLY A 47 -9.148 -7.407 2.393 1.00 1.08 N ATOM 301 CA GLY A 47 -9.984 -8.323 1.643 1.00 1.18 C ATOM 302 C GLY A 47 -11.355 -8.520 2.260 1.00 1.25 C ATOM 303 O GLY A 47 -12.235 -9.112 1.637 1.00 1.42 O ATOM 0 H GLY A 47 -8.349 -7.838 2.859 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -10.101 -7.949 0.626 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -9.482 -9.288 1.572 1.00 1.18 H new ATOM 307 N ASP A 48 -11.549 -8.022 3.473 1.00 1.26 N ATOM 308 CA ASP A 48 -12.839 -8.145 4.134 1.00 1.49 C ATOM 309 C ASP A 48 -13.659 -6.874 3.948 1.00 1.53 C ATOM 310 O ASP A 48 -14.859 -6.933 3.677 1.00 1.74 O ATOM 311 CB ASP A 48 -12.666 -8.443 5.625 1.00 1.72 C ATOM 312 CG ASP A 48 -13.959 -8.900 6.273 1.00 2.01 C ATOM 313 OD1 ASP A 48 -14.676 -8.063 6.860 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.268 -10.110 6.191 1.00 2.35 O ATOM 0 H ASP A 48 -10.836 -7.533 4.015 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.371 -8.979 3.676 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.905 -9.213 5.754 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -12.304 -7.549 6.133 1.00 1.72 H new ATOM 319 N ILE A 49 -13.004 -5.723 4.072 1.00 1.50 N ATOM 320 CA ILE A 49 -13.686 -4.447 3.972 1.00 1.74 C ATOM 321 C ILE A 49 -13.812 -3.966 2.519 1.00 1.73 C ATOM 322 O ILE A 49 -14.904 -3.606 2.078 1.00 2.08 O ATOM 323 CB ILE A 49 -13.089 -3.525 4.716 1.00 1.98 C ATOM 324 CG1 ILE A 49 -11.580 -3.452 4.463 1.00 2.10 C ATOM 325 CG2 ILE A 49 -13.386 -3.769 6.194 1.00 2.43 C ATOM 326 CD1 ILE A 49 -10.838 -2.542 5.422 1.00 2.59 C ATOM 0 H ILE A 49 -12.001 -5.653 4.242 1.00 1.50 H new ATOM 0 HA ILE A 49 -14.695 -4.602 4.353 1.00 1.74 H new ATOM 0 HB ILE A 49 -13.498 -2.557 4.426 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -11.161 -4.456 4.533 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -11.409 -3.106 3.444 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -12.891 -3.006 6.795 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -14.462 -3.721 6.362 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -13.017 -4.754 6.482 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -9.776 -2.544 5.177 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -11.228 -1.528 5.336 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -10.976 -2.899 6.443 1.00 2.59 H new ATOM 338 N THR A 50 -12.725 -4.013 1.755 1.00 1.71 N ATOM 339 CA THR A 50 -12.753 -3.535 0.381 1.00 1.95 C ATOM 340 C THR A 50 -12.744 -4.696 -0.606 1.00 1.90 C ATOM 341 O THR A 50 -13.583 -4.763 -1.506 1.00 2.37 O ATOM 342 CB THR A 50 -11.738 -2.722 0.132 1.00 2.44 C ATOM 343 OG1 THR A 50 -10.505 -3.291 0.595 1.00 3.41 O ATOM 344 CG2 THR A 50 -11.946 -1.363 0.780 1.00 2.45 C ATOM 0 H THR A 50 -11.822 -4.374 2.062 1.00 1.71 H new ATOM 0 HA THR A 50 -13.681 -2.977 0.254 1.00 1.95 H new ATOM 0 HB THR A 50 -11.687 -2.588 -0.949 1.00 2.44 H new ATOM 0 HG1 THR A 50 -10.165 -2.766 1.350 1.00 3.41 H new ATOM 0 HG21 THR A 50 -11.095 -0.719 0.557 1.00 2.45 H new ATOM 0 HG22 THR A 50 -12.857 -0.909 0.389 1.00 2.45 H new ATOM 0 HG23 THR A 50 -12.035 -1.484 1.860 1.00 2.45 H new ATOM 352 N GLY A 51 -11.824 -5.626 -0.410 1.00 1.87 N ATOM 353 CA GLY A 51 -11.739 -6.785 -1.263 1.00 2.32 C ATOM 354 C GLY A 51 -10.303 -7.139 -1.562 1.00 1.77 C ATOM 355 O GLY A 51 -9.387 -6.505 -1.037 1.00 2.08 O ATOM 0 H GLY A 51 -11.128 -5.595 0.335 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.232 -7.630 -0.783 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -12.271 -6.593 -2.195 1.00 2.32 H new ATOM 359 N ARG A 52 -10.120 -8.134 -2.420 1.00 1.46 N ATOM 360 CA ARG A 52 -8.797 -8.604 -2.836 1.00 1.09 C ATOM 361 C ARG A 52 -8.095 -9.351 -1.713 1.00 1.03 C ATOM 362 O ARG A 52 -7.526 -8.746 -0.805 1.00 1.29 O ATOM 363 CB ARG A 52 -7.883 -7.471 -3.332 1.00 1.22 C ATOM 364 CG ARG A 52 -8.242 -6.907 -4.704 1.00 1.55 C ATOM 365 CD ARG A 52 -9.556 -6.147 -4.697 1.00 1.67 C ATOM 366 NE ARG A 52 -9.570 -5.084 -3.691 1.00 1.96 N ATOM 367 CZ ARG A 52 -10.186 -3.916 -3.851 1.00 2.47 C ATOM 368 NH1 ARG A 52 -10.781 -3.630 -4.999 1.00 2.72 N ATOM 369 NH2 ARG A 52 -10.202 -3.032 -2.861 1.00 3.14 N ATOM 0 H ARG A 52 -10.890 -8.645 -2.853 1.00 1.46 H new ATOM 0 HA ARG A 52 -8.979 -9.280 -3.672 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -7.908 -6.660 -2.604 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -6.858 -7.839 -3.364 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -7.445 -6.244 -5.040 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.302 -7.723 -5.424 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.730 -5.715 -5.683 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.375 -6.840 -4.503 1.00 1.67 H new ATOM 0 HE ARG A 52 -9.077 -5.249 -2.813 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -10.768 -4.306 -5.763 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -11.253 -2.734 -5.119 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -9.742 -3.248 -1.977 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -10.675 -2.137 -2.984 1.00 3.14 H new ATOM 383 N ASP A 53 -8.152 -10.668 -1.774 1.00 0.94 N ATOM 384 CA ASP A 53 -7.378 -11.498 -0.867 1.00 1.00 C ATOM 385 C ASP A 53 -5.898 -11.341 -1.193 1.00 0.89 C ATOM 386 O ASP A 53 -5.545 -11.099 -2.347 1.00 0.82 O ATOM 387 CB ASP A 53 -7.781 -12.972 -0.997 1.00 1.18 C ATOM 388 CG ASP A 53 -9.203 -13.241 -0.548 1.00 1.55 C ATOM 389 OD1 ASP A 53 -9.388 -13.800 0.551 1.00 1.90 O ATOM 390 OD2 ASP A 53 -10.145 -12.909 -1.298 1.00 2.10 O ATOM 0 H ASP A 53 -8.725 -11.186 -2.440 1.00 0.94 H new ATOM 0 HA ASP A 53 -7.573 -11.180 0.157 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -7.669 -13.283 -2.036 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.098 -13.583 -0.406 1.00 1.18 H new ATOM 395 N PRO A 54 -5.012 -11.469 -0.189 1.00 1.02 N ATOM 396 CA PRO A 54 -3.562 -11.368 -0.391 1.00 1.10 C ATOM 397 C PRO A 54 -3.074 -12.300 -1.497 1.00 1.03 C ATOM 398 O PRO A 54 -2.138 -11.986 -2.227 1.00 1.68 O ATOM 399 CB PRO A 54 -2.968 -11.788 0.964 1.00 1.35 C ATOM 400 CG PRO A 54 -4.103 -12.367 1.742 1.00 1.43 C ATOM 401 CD PRO A 54 -5.347 -11.709 1.218 1.00 1.25 C ATOM 0 HA PRO A 54 -3.265 -10.366 -0.700 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -2.171 -12.519 0.832 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -2.534 -10.933 1.483 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -4.151 -13.448 1.614 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -3.981 -12.177 2.808 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -6.221 -12.352 1.323 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -5.568 -10.782 1.746 1.00 1.25 H new ATOM 409 N LYS A 55 -3.754 -13.428 -1.629 1.00 0.89 N ATOM 410 CA LYS A 55 -3.398 -14.447 -2.614 1.00 0.96 C ATOM 411 C LYS A 55 -3.721 -13.987 -4.037 1.00 0.82 C ATOM 412 O LYS A 55 -3.192 -14.524 -5.009 1.00 0.92 O ATOM 413 CB LYS A 55 -4.164 -15.741 -2.323 1.00 1.26 C ATOM 414 CG LYS A 55 -3.916 -16.323 -0.940 1.00 1.53 C ATOM 415 CD LYS A 55 -4.864 -17.478 -0.656 1.00 2.06 C ATOM 416 CE LYS A 55 -6.312 -17.010 -0.612 1.00 2.89 C ATOM 417 NZ LYS A 55 -7.266 -18.134 -0.433 1.00 3.61 N ATOM 0 H LYS A 55 -4.566 -13.666 -1.060 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.324 -14.619 -2.540 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -5.231 -15.550 -2.437 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -3.892 -16.486 -3.071 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -2.885 -16.668 -0.866 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -4.047 -15.547 -0.186 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -4.750 -18.242 -1.425 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -4.601 -17.941 0.295 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -6.436 -16.298 0.204 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -6.548 -16.481 -1.535 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -8.238 -17.764 -0.409 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -7.169 -18.801 -1.225 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -7.061 -18.625 0.461 1.00 3.61 H new ATOM 431 N GLN A 56 -4.588 -12.991 -4.153 1.00 0.72 N ATOM 432 CA GLN A 56 -5.109 -12.580 -5.449 1.00 0.73 C ATOM 433 C GLN A 56 -4.309 -11.418 -6.038 1.00 0.63 C ATOM 434 O GLN A 56 -4.430 -11.118 -7.226 1.00 0.79 O ATOM 435 CB GLN A 56 -6.582 -12.176 -5.316 1.00 0.87 C ATOM 436 CG GLN A 56 -7.464 -13.236 -4.666 1.00 1.32 C ATOM 437 CD GLN A 56 -7.696 -14.455 -5.543 1.00 1.92 C ATOM 438 OE1 GLN A 56 -6.862 -14.819 -6.371 1.00 2.50 O ATOM 439 NE2 GLN A 56 -8.833 -15.106 -5.351 1.00 2.41 N ATOM 0 H GLN A 56 -4.946 -12.452 -3.364 1.00 0.72 H new ATOM 0 HA GLN A 56 -5.018 -13.429 -6.126 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.644 -11.259 -4.731 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.976 -11.949 -6.307 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.005 -13.554 -3.730 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.427 -12.791 -4.414 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -9.500 -14.773 -4.655 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -9.042 -15.940 -5.899 1.00 2.41 H new ATOM 448 N VAL A 57 -3.493 -10.768 -5.212 1.00 0.52 N ATOM 449 CA VAL A 57 -2.773 -9.569 -5.645 1.00 0.48 C ATOM 450 C VAL A 57 -1.271 -9.786 -5.762 1.00 0.55 C ATOM 451 O VAL A 57 -0.501 -8.829 -5.784 1.00 0.97 O ATOM 452 CB VAL A 57 -2.988 -8.538 -4.841 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.357 -7.923 -5.115 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.868 -8.939 -3.373 1.00 0.58 C ATOM 0 H VAL A 57 -3.313 -11.046 -4.247 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.172 -9.349 -6.635 1.00 0.48 H new ATOM 0 HB VAL A 57 -2.220 -7.792 -5.046 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.517 -7.078 -4.446 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.402 -7.581 -6.149 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -5.132 -8.671 -4.946 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -3.050 -8.069 -2.742 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.602 -9.712 -3.146 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.866 -9.322 -3.181 1.00 0.58 H new ATOM 464 N ILE A 58 -0.847 -11.030 -5.851 1.00 0.51 N ATOM 465 CA ILE A 58 0.575 -11.319 -5.936 1.00 0.57 C ATOM 466 C ILE A 58 1.040 -11.287 -7.378 1.00 0.57 C ATOM 467 O ILE A 58 0.303 -11.687 -8.281 1.00 0.66 O ATOM 468 CB ILE A 58 0.913 -12.469 -5.375 1.00 0.70 C ATOM 469 CG1 ILE A 58 -0.062 -13.595 -5.740 1.00 0.93 C ATOM 470 CG2 ILE A 58 1.011 -12.298 -3.866 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.337 -14.948 -5.196 1.00 1.01 C ATOM 0 H ILE A 58 -1.455 -11.849 -5.866 1.00 0.51 H new ATOM 0 HA ILE A 58 1.078 -10.535 -5.369 1.00 0.57 H new ATOM 0 HB ILE A 58 1.889 -12.761 -5.764 1.00 0.70 H new ATOM 0 HG12 ILE A 58 -1.053 -13.341 -5.364 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.139 -13.659 -6.825 1.00 0.93 H new ATOM 0 HG21 ILE A 58 1.289 -13.248 -3.410 1.00 1.09 H new ATOM 0 HG22 ILE A 58 1.767 -11.548 -3.633 1.00 1.09 H new ATOM 0 HG23 ILE A 58 0.047 -11.975 -3.473 1.00 1.09 H new ATOM 0 HD11 ILE A 58 -0.401 -15.693 -5.495 1.00 1.01 H new ATOM 0 HD12 ILE A 58 1.314 -15.226 -5.592 1.00 1.01 H new ATOM 0 HD13 ILE A 58 0.386 -14.903 -4.108 1.00 1.01 H new ATOM 483 N GLY A 59 2.225 -10.731 -7.603 1.00 0.59 N ATOM 484 CA GLY A 59 2.691 -10.535 -8.956 1.00 0.66 C ATOM 485 C GLY A 59 1.920 -9.432 -9.636 1.00 0.56 C ATOM 486 O GLY A 59 2.025 -9.234 -10.848 1.00 0.65 O ATOM 0 H GLY A 59 2.866 -10.415 -6.875 1.00 0.59 H new ATOM 0 HA2 GLY A 59 3.753 -10.290 -8.947 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.582 -11.461 -9.520 1.00 0.66 H new ATOM 490 N LYS A 60 1.132 -8.718 -8.849 1.00 0.48 N ATOM 491 CA LYS A 60 0.270 -7.692 -9.371 1.00 0.45 C ATOM 492 C LYS A 60 0.711 -6.340 -8.852 1.00 0.38 C ATOM 493 O LYS A 60 1.028 -6.195 -7.675 1.00 0.43 O ATOM 494 CB LYS A 60 -1.179 -7.995 -8.988 1.00 0.49 C ATOM 495 CG LYS A 60 -1.845 -8.993 -9.921 1.00 0.80 C ATOM 496 CD LYS A 60 -3.275 -9.285 -9.506 1.00 1.12 C ATOM 497 CE LYS A 60 -3.935 -10.262 -10.465 1.00 1.27 C ATOM 498 NZ LYS A 60 -5.282 -10.681 -9.997 1.00 1.82 N ATOM 0 H LYS A 60 1.078 -8.839 -7.838 1.00 0.48 H new ATOM 0 HA LYS A 60 0.335 -7.671 -10.459 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.206 -8.384 -7.970 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.751 -7.067 -8.990 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -1.834 -8.602 -10.939 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -1.272 -9.920 -9.930 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -3.287 -9.697 -8.497 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.846 -8.357 -9.478 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -4.021 -9.801 -11.449 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -3.301 -11.142 -10.579 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.595 -11.511 -10.539 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -5.239 -10.923 -8.987 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -5.956 -9.902 -10.137 1.00 1.82 H new ATOM 512 N ASN A 61 0.746 -5.361 -9.736 1.00 0.43 N ATOM 513 CA ASN A 61 1.235 -4.043 -9.387 1.00 0.42 C ATOM 514 C ASN A 61 0.142 -3.250 -8.693 1.00 0.39 C ATOM 515 O ASN A 61 -0.898 -2.965 -9.282 1.00 0.42 O ATOM 516 CB ASN A 61 1.718 -3.299 -10.635 1.00 0.52 C ATOM 517 CG ASN A 61 2.422 -1.999 -10.298 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.793 -0.950 -10.175 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.737 -2.061 -10.157 1.00 0.71 N ATOM 0 H ASN A 61 0.440 -5.455 -10.704 1.00 0.43 H new ATOM 0 HA ASN A 61 2.079 -4.155 -8.706 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.396 -3.941 -11.197 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.866 -3.090 -11.282 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.267 -1.217 -9.938 1.00 0.71 H new ATOM 0 HD22 ASN A 61 4.220 -2.952 -10.267 1.00 0.71 H new ATOM 526 N PHE A 62 0.382 -2.921 -7.434 1.00 0.38 N ATOM 527 CA PHE A 62 -0.562 -2.156 -6.623 1.00 0.40 C ATOM 528 C PHE A 62 -1.022 -0.890 -7.340 1.00 0.47 C ATOM 529 O PHE A 62 -2.192 -0.534 -7.288 1.00 0.70 O ATOM 530 CB PHE A 62 0.093 -1.796 -5.282 1.00 0.43 C ATOM 531 CG PHE A 62 -0.800 -1.037 -4.337 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.443 0.226 -3.892 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.992 -1.586 -3.894 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.258 0.925 -3.021 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.811 -0.892 -3.025 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.444 0.365 -2.587 1.00 0.53 C ATOM 0 H PHE A 62 1.238 -3.176 -6.941 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.443 -2.774 -6.450 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.421 -2.714 -4.794 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.986 -1.201 -5.476 1.00 0.43 H new ATOM 0 HD1 PHE A 62 0.482 0.669 -4.229 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -2.285 -2.569 -4.232 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -0.968 1.908 -2.680 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.738 -1.332 -2.688 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.083 0.909 -1.907 1.00 0.53 H new ATOM 546 N PHE A 63 -0.108 -0.253 -8.052 1.00 0.46 N ATOM 547 CA PHE A 63 -0.367 1.046 -8.662 1.00 0.55 C ATOM 548 C PHE A 63 -0.925 0.901 -10.078 1.00 0.66 C ATOM 549 O PHE A 63 -0.963 1.870 -10.841 1.00 0.91 O ATOM 550 CB PHE A 63 0.929 1.863 -8.690 1.00 0.57 C ATOM 551 CG PHE A 63 1.629 1.908 -7.361 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.593 0.970 -7.036 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.328 2.901 -6.441 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.247 1.021 -5.820 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.976 2.956 -5.222 1.00 1.04 C ATOM 556 CZ PHE A 63 2.908 1.969 -4.894 1.00 1.16 C ATOM 0 H PHE A 63 0.829 -0.616 -8.225 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.117 1.562 -8.062 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.603 1.438 -9.434 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.703 2.880 -9.009 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.837 0.189 -7.741 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.578 3.640 -6.680 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.029 0.309 -5.600 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.763 3.756 -4.528 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.359 1.954 -3.913 1.00 1.16 H new ATOM 566 N LYS A 64 -1.379 -0.297 -10.427 1.00 0.57 N ATOM 567 CA LYS A 64 -1.867 -0.542 -11.777 1.00 0.72 C ATOM 568 C LYS A 64 -2.977 -1.591 -11.795 1.00 0.72 C ATOM 569 O LYS A 64 -4.033 -1.379 -12.390 1.00 0.90 O ATOM 570 CB LYS A 64 -0.702 -0.975 -12.681 1.00 0.82 C ATOM 571 CG LYS A 64 -1.060 -1.090 -14.160 1.00 1.56 C ATOM 572 CD LYS A 64 -1.446 -2.510 -14.551 1.00 2.11 C ATOM 573 CE LYS A 64 -0.240 -3.439 -14.553 1.00 2.85 C ATOM 574 NZ LYS A 64 -0.608 -4.831 -14.923 1.00 3.58 N ATOM 0 H LYS A 64 -1.419 -1.103 -9.803 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.292 0.387 -12.157 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.112 -0.259 -12.572 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.328 -1.938 -12.334 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -1.886 -0.416 -14.385 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -0.212 -0.767 -14.763 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -2.196 -2.888 -13.856 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -1.903 -2.504 -15.541 1.00 2.11 H new ATOM 0 HE2 LYS A 64 0.506 -3.063 -15.254 1.00 2.85 H new ATOM 0 HE3 LYS A 64 0.221 -3.437 -13.565 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 0.106 -5.489 -14.551 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -1.538 -5.063 -14.519 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 -0.650 -4.915 -15.959 1.00 3.58 H new ATOM 588 N ASP A 65 -2.740 -2.715 -11.137 1.00 0.60 N ATOM 589 CA ASP A 65 -3.638 -3.858 -11.248 1.00 0.69 C ATOM 590 C ASP A 65 -4.833 -3.776 -10.304 1.00 0.74 C ATOM 591 O ASP A 65 -5.852 -4.416 -10.554 1.00 1.10 O ATOM 592 CB ASP A 65 -2.882 -5.166 -10.997 1.00 0.79 C ATOM 593 CG ASP A 65 -1.956 -5.532 -12.137 1.00 1.38 C ATOM 594 OD1 ASP A 65 -2.449 -5.897 -13.224 1.00 1.50 O ATOM 595 OD2 ASP A 65 -0.723 -5.466 -11.953 1.00 2.20 O ATOM 0 H ASP A 65 -1.939 -2.862 -10.523 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.025 -3.839 -12.267 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.303 -5.076 -10.078 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -3.599 -5.972 -10.844 1.00 0.79 H new ATOM 600 N VAL A 66 -4.737 -3.001 -9.229 1.00 0.70 N ATOM 601 CA VAL A 66 -5.855 -2.934 -8.293 1.00 0.82 C ATOM 602 C VAL A 66 -5.961 -1.575 -7.589 1.00 0.70 C ATOM 603 O VAL A 66 -6.701 -1.410 -6.614 1.00 0.80 O ATOM 604 CB VAL A 66 -5.749 -3.916 -7.412 1.00 1.05 C ATOM 605 CG1 VAL A 66 -4.671 -3.631 -6.367 1.00 1.45 C ATOM 606 CG2 VAL A 66 -7.088 -4.255 -6.774 1.00 1.77 C ATOM 0 H VAL A 66 -3.928 -2.429 -8.988 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.775 -3.050 -8.865 1.00 0.82 H new ATOM 0 HB VAL A 66 -5.429 -4.802 -7.961 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -4.617 -4.462 -5.664 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -3.707 -3.512 -6.862 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -4.919 -2.716 -5.829 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -6.955 -5.066 -6.058 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -7.479 -3.377 -6.260 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -7.791 -4.566 -7.547 1.00 1.77 H new ATOM 616 N ALA A 67 -5.250 -0.596 -8.111 1.00 0.56 N ATOM 617 CA ALA A 67 -5.291 0.752 -7.550 1.00 0.53 C ATOM 618 C ALA A 67 -4.565 1.753 -8.437 1.00 0.49 C ATOM 619 O ALA A 67 -3.351 1.906 -8.358 1.00 0.61 O ATOM 620 CB ALA A 67 -4.699 0.771 -6.145 1.00 0.60 C ATOM 0 H ALA A 67 -4.637 -0.701 -8.920 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.339 1.048 -7.497 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.740 1.785 -5.747 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.271 0.104 -5.500 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.662 0.437 -6.183 1.00 0.60 H new ATOM 626 N PRO A 68 -5.296 2.437 -9.317 1.00 0.44 N ATOM 627 CA PRO A 68 -4.732 3.480 -10.165 1.00 0.47 C ATOM 628 C PRO A 68 -4.640 4.829 -9.453 1.00 0.55 C ATOM 629 O PRO A 68 -3.881 5.705 -9.869 1.00 0.81 O ATOM 630 CB PRO A 68 -5.716 3.568 -11.341 1.00 0.56 C ATOM 631 CG PRO A 68 -6.811 2.583 -11.057 1.00 0.69 C ATOM 632 CD PRO A 68 -6.712 2.222 -9.601 1.00 0.47 C ATOM 0 HA PRO A 68 -3.711 3.243 -10.463 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.117 4.577 -11.436 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.218 3.333 -12.282 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.786 3.015 -11.282 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.704 1.697 -11.682 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.350 2.853 -8.982 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.010 1.190 -9.418 1.00 0.47 H new ATOM 640 N CYS A 69 -5.399 4.990 -8.372 1.00 0.51 N ATOM 641 CA CYS A 69 -5.462 6.271 -7.679 1.00 0.61 C ATOM 642 C CYS A 69 -4.349 6.394 -6.644 1.00 0.59 C ATOM 643 O CYS A 69 -3.981 7.502 -6.262 1.00 0.81 O ATOM 644 CB CYS A 69 -6.832 6.479 -7.011 1.00 0.85 C ATOM 645 SG CYS A 69 -6.968 5.870 -5.291 1.00 0.81 S ATOM 0 H CYS A 69 -5.974 4.255 -7.961 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.324 7.050 -8.429 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.064 7.544 -7.021 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.591 5.982 -7.615 1.00 0.85 H new ATOM 650 N THR A 70 -3.680 5.284 -6.355 1.00 0.61 N ATOM 651 CA THR A 70 -2.616 5.295 -5.362 1.00 0.58 C ATOM 652 C THR A 70 -1.301 5.785 -5.977 1.00 0.55 C ATOM 653 O THR A 70 -0.466 6.381 -5.290 1.00 0.64 O ATOM 654 CB THR A 70 -2.455 4.096 -4.817 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.475 4.164 -3.774 1.00 1.33 O ATOM 656 CG2 THR A 70 -2.047 3.042 -5.835 1.00 1.07 C ATOM 0 H THR A 70 -3.853 4.377 -6.788 1.00 0.61 H new ATOM 0 HA THR A 70 -2.907 5.988 -4.573 1.00 0.58 H new ATOM 0 HB THR A 70 -3.420 3.796 -4.408 1.00 0.63 H new ATOM 0 HG1 THR A 70 -0.614 3.841 -4.113 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.929 2.080 -5.336 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.817 2.960 -6.603 1.00 1.07 H new ATOM 0 HG23 THR A 70 -1.103 3.329 -6.297 1.00 1.07 H new ATOM 664 N ASP A 71 -1.139 5.574 -7.282 1.00 0.55 N ATOM 665 CA ASP A 71 0.021 6.086 -7.999 1.00 0.63 C ATOM 666 C ASP A 71 -0.042 7.607 -8.033 1.00 0.70 C ATOM 667 O ASP A 71 -0.907 8.188 -8.689 1.00 0.88 O ATOM 668 CB ASP A 71 0.062 5.509 -9.417 1.00 0.76 C ATOM 669 CG ASP A 71 1.206 6.052 -10.253 1.00 0.96 C ATOM 670 OD1 ASP A 71 0.987 7.033 -10.999 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.317 5.487 -10.185 1.00 1.34 O ATOM 0 H ASP A 71 -1.797 5.052 -7.861 1.00 0.55 H new ATOM 0 HA ASP A 71 0.933 5.782 -7.486 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.147 4.424 -9.358 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.881 5.728 -9.918 1.00 0.76 H new ATOM 676 N SER A 72 0.860 8.246 -7.302 1.00 0.66 N ATOM 677 CA SER A 72 0.808 9.686 -7.114 1.00 0.77 C ATOM 678 C SER A 72 2.147 10.186 -6.582 1.00 0.76 C ATOM 679 O SER A 72 2.836 9.464 -5.864 1.00 0.71 O ATOM 680 CB SER A 72 -0.321 10.031 -6.132 1.00 0.88 C ATOM 681 OG SER A 72 -0.459 11.431 -5.962 1.00 1.56 O ATOM 0 H SER A 72 1.638 7.787 -6.829 1.00 0.66 H new ATOM 0 HA SER A 72 0.610 10.173 -8.069 1.00 0.77 H new ATOM 0 HB2 SER A 72 -1.260 9.614 -6.496 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.119 9.566 -5.167 1.00 0.88 H new ATOM 0 HG SER A 72 -1.091 11.780 -6.624 1.00 1.56 H new ATOM 687 N PRO A 73 2.537 11.425 -6.924 1.00 0.90 N ATOM 688 CA PRO A 73 3.807 12.010 -6.473 1.00 0.99 C ATOM 689 C PRO A 73 3.925 12.104 -4.948 1.00 0.96 C ATOM 690 O PRO A 73 5.030 12.180 -4.409 1.00 1.05 O ATOM 691 CB PRO A 73 3.810 13.411 -7.099 1.00 1.13 C ATOM 692 CG PRO A 73 2.396 13.678 -7.488 1.00 1.17 C ATOM 693 CD PRO A 73 1.792 12.342 -7.803 1.00 1.05 C ATOM 0 HA PRO A 73 4.652 11.390 -6.774 1.00 0.99 H new ATOM 0 HB2 PRO A 73 4.169 14.157 -6.390 1.00 1.13 H new ATOM 0 HB3 PRO A 73 4.470 13.452 -7.966 1.00 1.13 H new ATOM 0 HG2 PRO A 73 1.855 14.169 -6.679 1.00 1.17 H new ATOM 0 HG3 PRO A 73 2.348 14.341 -8.352 1.00 1.17 H new ATOM 0 HD2 PRO A 73 0.723 12.323 -7.592 1.00 1.05 H new ATOM 0 HD3 PRO A 73 1.915 12.082 -8.854 1.00 1.05 H new ATOM 701 N GLU A 74 2.793 12.090 -4.249 1.00 0.91 N ATOM 702 CA GLU A 74 2.808 12.191 -2.795 1.00 0.96 C ATOM 703 C GLU A 74 2.818 10.810 -2.135 1.00 0.93 C ATOM 704 O GLU A 74 3.228 10.671 -0.983 1.00 1.25 O ATOM 705 CB GLU A 74 1.620 13.017 -2.291 1.00 1.07 C ATOM 706 CG GLU A 74 0.259 12.452 -2.663 1.00 0.90 C ATOM 707 CD GLU A 74 -0.882 13.277 -2.099 1.00 1.59 C ATOM 708 OE1 GLU A 74 -1.161 13.169 -0.887 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.514 14.034 -2.869 1.00 1.58 O ATOM 0 H GLU A 74 1.864 12.011 -4.662 1.00 0.91 H new ATOM 0 HA GLU A 74 3.729 12.702 -2.514 1.00 0.96 H new ATOM 0 HB2 GLU A 74 1.683 13.096 -1.206 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.701 14.028 -2.690 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.171 12.409 -3.749 1.00 0.90 H new ATOM 0 HG3 GLU A 74 0.180 11.429 -2.296 1.00 0.90 H new ATOM 716 N PHE A 75 2.376 9.790 -2.866 1.00 0.80 N ATOM 717 CA PHE A 75 2.364 8.429 -2.334 1.00 0.79 C ATOM 718 C PHE A 75 3.455 7.597 -2.995 1.00 0.66 C ATOM 719 O PHE A 75 4.469 7.283 -2.375 1.00 0.66 O ATOM 720 CB PHE A 75 0.996 7.767 -2.547 1.00 0.87 C ATOM 721 CG PHE A 75 0.877 6.402 -1.914 1.00 1.53 C ATOM 722 CD1 PHE A 75 1.300 5.272 -2.594 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.342 6.246 -0.643 1.00 1.74 C ATOM 724 CE1 PHE A 75 1.195 4.017 -2.024 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.232 4.993 -0.068 1.00 2.61 C ATOM 726 CZ PHE A 75 0.658 3.890 -0.735 1.00 3.36 C ATOM 0 H PHE A 75 2.024 9.877 -3.819 1.00 0.80 H new ATOM 0 HA PHE A 75 2.555 8.482 -1.262 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.221 8.416 -2.139 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.807 7.679 -3.617 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.718 5.373 -3.585 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.007 7.115 -0.096 1.00 1.74 H new ATOM 0 HE1 PHE A 75 1.523 3.143 -2.566 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.196 4.891 0.918 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.583 2.916 -0.274 1.00 3.36 H new ATOM 736 N TYR A 76 3.243 7.257 -4.261 1.00 0.59 N ATOM 737 CA TYR A 76 4.212 6.482 -5.026 1.00 0.50 C ATOM 738 C TYR A 76 5.545 7.214 -5.077 1.00 0.47 C ATOM 739 O TYR A 76 6.602 6.601 -4.972 1.00 0.49 O ATOM 740 CB TYR A 76 3.690 6.228 -6.446 1.00 0.51 C ATOM 741 CG TYR A 76 4.564 5.304 -7.270 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.228 5.760 -8.402 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.721 3.974 -6.911 1.00 0.51 C ATOM 744 CE1 TYR A 76 6.023 4.912 -9.151 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.512 3.121 -7.653 1.00 0.59 C ATOM 746 CZ TYR A 76 6.161 3.592 -8.772 1.00 0.65 C ATOM 747 OH TYR A 76 6.957 2.743 -9.508 1.00 0.79 O ATOM 0 H TYR A 76 2.403 7.508 -4.782 1.00 0.59 H new ATOM 0 HA TYR A 76 4.358 5.521 -4.533 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.688 5.803 -6.383 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.599 7.183 -6.964 1.00 0.51 H new ATOM 0 HD1 TYR A 76 5.122 6.792 -8.701 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.215 3.599 -6.034 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.534 5.281 -10.028 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.622 2.088 -7.357 1.00 0.59 H new ATOM 0 HH TYR A 76 6.945 1.850 -9.104 1.00 0.79 H new ATOM 757 N GLY A 77 5.475 8.534 -5.216 1.00 0.48 N ATOM 758 CA GLY A 77 6.671 9.350 -5.241 1.00 0.50 C ATOM 759 C GLY A 77 7.510 9.191 -3.987 1.00 0.52 C ATOM 760 O GLY A 77 8.735 9.117 -4.063 1.00 0.60 O ATOM 0 H GLY A 77 4.603 9.055 -5.312 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.271 9.083 -6.111 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.390 10.397 -5.356 1.00 0.50 H new ATOM 764 N LYS A 78 6.852 9.111 -2.833 1.00 0.53 N ATOM 765 CA LYS A 78 7.566 8.982 -1.565 1.00 0.60 C ATOM 766 C LYS A 78 7.842 7.526 -1.229 1.00 0.59 C ATOM 767 O LYS A 78 8.743 7.219 -0.449 1.00 0.66 O ATOM 768 CB LYS A 78 6.810 9.663 -0.429 1.00 0.69 C ATOM 769 CG LYS A 78 6.792 11.171 -0.564 1.00 0.77 C ATOM 770 CD LYS A 78 6.324 11.858 0.703 1.00 1.17 C ATOM 771 CE LYS A 78 6.557 13.355 0.615 1.00 1.41 C ATOM 772 NZ LYS A 78 8.006 13.684 0.478 1.00 2.09 N ATOM 0 H LYS A 78 5.836 9.133 -2.749 1.00 0.53 H new ATOM 0 HA LYS A 78 8.525 9.487 -1.682 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.785 9.292 -0.405 1.00 0.69 H new ATOM 0 HB3 LYS A 78 7.269 9.392 0.522 1.00 0.69 H new ATOM 0 HG2 LYS A 78 7.792 11.523 -0.817 1.00 0.77 H new ATOM 0 HG3 LYS A 78 6.138 11.452 -1.389 1.00 0.77 H new ATOM 0 HD2 LYS A 78 5.264 11.658 0.862 1.00 1.17 H new ATOM 0 HD3 LYS A 78 6.857 11.451 1.562 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.011 13.758 -0.238 1.00 1.41 H new ATOM 0 HE3 LYS A 78 6.158 13.838 1.507 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 8.289 14.332 1.241 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 8.568 12.811 0.539 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.173 14.139 -0.442 1.00 2.09 H new ATOM 786 N PHE A 79 7.063 6.635 -1.814 1.00 0.52 N ATOM 787 CA PHE A 79 7.357 5.218 -1.743 1.00 0.50 C ATOM 788 C PHE A 79 8.698 4.966 -2.415 1.00 0.51 C ATOM 789 O PHE A 79 9.600 4.364 -1.842 1.00 0.56 O ATOM 790 CB PHE A 79 6.246 4.417 -2.434 1.00 0.48 C ATOM 791 CG PHE A 79 6.452 2.932 -2.393 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.094 2.201 -1.274 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.002 2.269 -3.478 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.284 0.834 -1.235 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.193 0.903 -3.444 1.00 0.61 C ATOM 796 CZ PHE A 79 6.835 0.186 -2.322 1.00 0.65 C ATOM 0 H PHE A 79 6.223 6.868 -2.343 1.00 0.52 H new ATOM 0 HA PHE A 79 7.407 4.897 -0.702 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.293 4.655 -1.962 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.175 4.736 -3.474 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.661 2.705 -0.422 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.284 2.827 -4.359 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.002 0.273 -0.356 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.622 0.396 -4.295 1.00 0.61 H new ATOM 0 HZ PHE A 79 6.986 -0.883 -2.294 1.00 0.65 H new ATOM 806 N LYS A 80 8.827 5.504 -3.615 1.00 0.51 N ATOM 807 CA LYS A 80 10.041 5.355 -4.416 1.00 0.58 C ATOM 808 C LYS A 80 11.153 6.234 -3.859 1.00 0.63 C ATOM 809 O LYS A 80 12.334 5.997 -4.117 1.00 0.66 O ATOM 810 CB LYS A 80 9.769 5.731 -5.878 1.00 0.64 C ATOM 811 CG LYS A 80 8.633 4.947 -6.515 1.00 0.69 C ATOM 812 CD LYS A 80 9.000 3.492 -6.771 1.00 0.72 C ATOM 813 CE LYS A 80 10.028 3.362 -7.888 1.00 0.93 C ATOM 814 NZ LYS A 80 10.076 1.983 -8.442 1.00 1.09 N ATOM 0 H LYS A 80 8.098 6.056 -4.066 1.00 0.51 H new ATOM 0 HA LYS A 80 10.354 4.312 -4.371 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.538 6.795 -5.932 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.678 5.572 -6.459 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.758 4.989 -5.866 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.354 5.419 -7.457 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.397 3.050 -5.857 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.103 2.931 -7.034 1.00 0.72 H new ATOM 0 HE2 LYS A 80 9.788 4.065 -8.686 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.013 3.635 -7.508 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.067 1.693 -8.565 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 9.603 1.329 -7.787 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 9.592 1.962 -9.362 1.00 1.09 H new ATOM 828 N GLU A 81 10.753 7.238 -3.083 1.00 0.67 N ATOM 829 CA GLU A 81 11.684 8.171 -2.456 1.00 0.78 C ATOM 830 C GLU A 81 12.677 7.402 -1.589 1.00 0.67 C ATOM 831 O GLU A 81 13.861 7.736 -1.526 1.00 0.70 O ATOM 832 CB GLU A 81 10.896 9.180 -1.609 1.00 0.94 C ATOM 833 CG GLU A 81 11.676 10.407 -1.162 1.00 1.25 C ATOM 834 CD GLU A 81 10.825 11.353 -0.328 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.008 12.092 -0.914 1.00 2.07 O ATOM 836 OE2 GLU A 81 10.980 11.374 0.915 1.00 2.04 O ATOM 0 H GLU A 81 9.773 7.427 -2.871 1.00 0.67 H new ATOM 0 HA GLU A 81 12.240 8.711 -3.223 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.029 9.510 -2.181 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.518 8.669 -0.724 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.543 10.093 -0.581 1.00 1.25 H new ATOM 0 HG3 GLU A 81 12.053 10.935 -2.038 1.00 1.25 H new ATOM 843 N GLY A 82 12.183 6.351 -0.945 1.00 0.62 N ATOM 844 CA GLY A 82 13.036 5.505 -0.140 1.00 0.62 C ATOM 845 C GLY A 82 13.612 4.349 -0.936 1.00 0.62 C ATOM 846 O GLY A 82 14.737 3.921 -0.684 1.00 0.72 O ATOM 0 H GLY A 82 11.202 6.071 -0.968 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.850 6.101 0.273 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.466 5.115 0.703 1.00 0.62 H new ATOM 850 N VAL A 83 12.844 3.860 -1.907 1.00 0.58 N ATOM 851 CA VAL A 83 13.258 2.725 -2.732 1.00 0.66 C ATOM 852 C VAL A 83 14.549 3.022 -3.488 1.00 0.73 C ATOM 853 O VAL A 83 15.517 2.265 -3.388 1.00 0.85 O ATOM 854 CB VAL A 83 12.310 2.396 -3.606 1.00 0.68 C ATOM 855 CG1 VAL A 83 12.759 1.249 -4.507 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.015 2.032 -2.904 1.00 0.65 C ATOM 0 H VAL A 83 11.925 4.234 -2.144 1.00 0.58 H new ATOM 0 HA VAL A 83 13.430 1.890 -2.053 1.00 0.66 H new ATOM 0 HB VAL A 83 12.130 3.272 -4.229 1.00 0.68 H new ATOM 0 HG11 VAL A 83 11.962 1.005 -5.209 1.00 0.83 H new ATOM 0 HG12 VAL A 83 13.650 1.547 -5.059 1.00 0.83 H new ATOM 0 HG13 VAL A 83 12.986 0.375 -3.897 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.261 1.768 -3.645 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.186 1.183 -2.242 1.00 0.65 H new ATOM 0 HG23 VAL A 83 10.667 2.883 -2.319 1.00 0.65 H new ATOM 866 N ALA A 84 14.562 4.136 -4.215 1.00 0.70 N ATOM 867 CA ALA A 84 15.696 4.491 -5.060 1.00 0.81 C ATOM 868 C ALA A 84 17.005 4.470 -4.278 1.00 0.92 C ATOM 869 O ALA A 84 17.920 3.714 -4.609 1.00 1.14 O ATOM 870 CB ALA A 84 15.477 5.856 -5.698 1.00 0.85 C ATOM 0 H ALA A 84 13.797 4.810 -4.235 1.00 0.70 H new ATOM 0 HA ALA A 84 15.770 3.742 -5.849 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.333 6.106 -6.325 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.574 5.832 -6.308 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.367 6.609 -4.918 1.00 0.85 H new ATOM 876 N SER A 85 17.088 5.284 -3.232 1.00 0.92 N ATOM 877 CA SER A 85 18.296 5.357 -2.429 1.00 1.12 C ATOM 878 C SER A 85 18.056 6.103 -1.124 1.00 1.16 C ATOM 879 O SER A 85 18.975 6.703 -0.563 1.00 1.40 O ATOM 880 CB SER A 85 19.385 6.059 -3.229 1.00 1.38 C ATOM 881 OG SER A 85 18.916 7.292 -3.756 1.00 1.82 O ATOM 0 H SER A 85 16.335 5.899 -2.924 1.00 0.92 H new ATOM 0 HA SER A 85 18.605 4.342 -2.180 1.00 1.12 H new ATOM 0 HB2 SER A 85 20.251 6.238 -2.592 1.00 1.38 H new ATOM 0 HB3 SER A 85 19.716 5.414 -4.043 1.00 1.38 H new ATOM 0 HG SER A 85 19.634 7.725 -4.264 1.00 1.82 H new ATOM 887 N GLY A 86 16.836 6.045 -0.616 1.00 1.12 N ATOM 888 CA GLY A 86 16.510 6.839 0.551 1.00 1.47 C ATOM 889 C GLY A 86 16.275 6.005 1.787 1.00 1.35 C ATOM 890 O GLY A 86 16.223 6.543 2.890 1.00 1.65 O ATOM 0 H GLY A 86 16.076 5.473 -0.983 1.00 1.12 H new ATOM 0 HA2 GLY A 86 17.321 7.542 0.743 1.00 1.47 H new ATOM 0 HA3 GLY A 86 15.618 7.430 0.344 1.00 1.47 H new ATOM 894 N ASN A 87 16.177 4.686 1.597 1.00 1.30 N ATOM 895 CA ASN A 87 15.721 3.766 2.649 1.00 1.28 C ATOM 896 C ASN A 87 14.276 4.087 3.011 1.00 0.81 C ATOM 897 O ASN A 87 13.947 5.215 3.375 1.00 1.19 O ATOM 898 CB ASN A 87 16.619 3.824 3.895 1.00 1.94 C ATOM 899 CG ASN A 87 18.018 3.297 3.633 1.00 2.79 C ATOM 900 OD1 ASN A 87 18.298 2.111 3.817 1.00 3.50 O ATOM 901 ND2 ASN A 87 18.903 4.177 3.197 1.00 3.16 N ATOM 0 H ASN A 87 16.409 4.226 0.717 1.00 1.30 H new ATOM 0 HA ASN A 87 15.784 2.749 2.262 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.683 4.855 4.244 1.00 1.94 H new ATOM 0 HB3 ASN A 87 16.161 3.244 4.696 1.00 1.94 H new ATOM 0 HD21 ASN A 87 19.860 3.883 2.999 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.629 5.150 3.058 1.00 3.16 H new ATOM 908 N LEU A 88 13.406 3.103 2.932 1.00 0.61 N ATOM 909 CA LEU A 88 11.994 3.393 2.983 1.00 0.75 C ATOM 910 C LEU A 88 11.409 3.051 4.332 1.00 0.56 C ATOM 911 O LEU A 88 11.215 1.885 4.661 1.00 1.00 O ATOM 912 CB LEU A 88 11.245 2.653 1.878 1.00 1.61 C ATOM 913 CG LEU A 88 9.769 3.037 1.745 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.626 4.532 1.500 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.116 2.259 0.619 1.00 2.90 C ATOM 0 H LEU A 88 13.646 2.117 2.834 1.00 0.61 H new ATOM 0 HA LEU A 88 11.876 4.465 2.825 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.744 2.843 0.928 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.313 1.581 2.065 1.00 1.61 H new ATOM 0 HG LEU A 88 9.266 2.787 2.679 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.570 4.786 1.408 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.060 5.081 2.336 1.00 2.96 H new ATOM 0 HD13 LEU A 88 10.145 4.801 0.580 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.067 2.545 0.540 1.00 2.90 H new ATOM 0 HD22 LEU A 88 9.625 2.481 -0.319 1.00 2.90 H new ATOM 0 HD23 LEU A 88 9.186 1.191 0.826 1.00 2.90 H new ATOM 927 N ASN A 89 11.161 4.084 5.116 1.00 0.54 N ATOM 928 CA ASN A 89 10.437 3.944 6.362 1.00 0.47 C ATOM 929 C ASN A 89 9.991 5.314 6.844 1.00 0.59 C ATOM 930 O ASN A 89 10.778 6.145 7.291 1.00 0.97 O ATOM 931 CB ASN A 89 11.252 3.171 7.415 1.00 0.50 C ATOM 932 CG ASN A 89 12.319 3.989 8.124 1.00 1.31 C ATOM 933 OD1 ASN A 89 13.426 4.167 7.612 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.011 4.457 9.327 1.00 1.82 N ATOM 0 H ASN A 89 11.455 5.038 4.907 1.00 0.54 H new ATOM 0 HA ASN A 89 9.545 3.342 6.191 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.566 2.770 8.161 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.730 2.319 6.930 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.701 4.985 9.861 1.00 1.82 H new ATOM 0 HD22 ASN A 89 11.084 4.289 9.717 1.00 1.82 H new ATOM 941 N THR A 90 8.712 5.552 6.667 1.00 0.51 N ATOM 942 CA THR A 90 8.098 6.811 7.004 1.00 0.61 C ATOM 943 C THR A 90 6.588 6.624 7.017 1.00 0.53 C ATOM 944 O THR A 90 6.087 5.578 6.601 1.00 0.51 O ATOM 945 CB THR A 90 8.449 7.772 6.148 1.00 0.75 C ATOM 946 OG1 THR A 90 7.882 9.032 6.539 1.00 1.63 O ATOM 947 CG2 THR A 90 8.033 7.451 4.719 1.00 1.39 C ATOM 0 H THR A 90 8.063 4.867 6.280 1.00 0.51 H new ATOM 0 HA THR A 90 8.442 7.125 7.989 1.00 0.61 H new ATOM 0 HB THR A 90 9.537 7.835 6.177 1.00 0.75 H new ATOM 0 HG1 THR A 90 8.152 9.724 5.900 1.00 1.63 H new ATOM 0 HG21 THR A 90 8.340 8.263 4.060 1.00 1.39 H new ATOM 0 HG22 THR A 90 8.510 6.524 4.401 1.00 1.39 H new ATOM 0 HG23 THR A 90 6.950 7.336 4.672 1.00 1.39 H new ATOM 955 N MET A 91 5.876 7.580 7.561 1.00 0.55 N ATOM 956 CA MET A 91 4.428 7.533 7.553 1.00 0.51 C ATOM 957 C MET A 91 3.859 8.875 7.121 1.00 0.57 C ATOM 958 O MET A 91 4.157 9.911 7.713 1.00 0.75 O ATOM 959 CB MET A 91 3.886 7.130 8.930 1.00 0.60 C ATOM 960 CG MET A 91 4.246 8.092 10.050 1.00 1.14 C ATOM 961 SD MET A 91 3.654 7.537 11.658 1.00 1.61 S ATOM 962 CE MET A 91 4.139 8.921 12.686 1.00 1.77 C ATOM 0 H MET A 91 6.272 8.402 8.016 1.00 0.55 H new ATOM 0 HA MET A 91 4.113 6.776 6.835 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.801 7.050 8.871 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.266 6.140 9.181 1.00 0.60 H new ATOM 0 HG2 MET A 91 5.329 8.211 10.087 1.00 1.14 H new ATOM 0 HG3 MET A 91 3.824 9.073 9.831 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.841 8.730 13.717 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.220 9.048 12.638 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.651 9.828 12.329 1.00 1.77 H new ATOM 972 N PHE A 92 3.071 8.859 6.063 1.00 0.49 N ATOM 973 CA PHE A 92 2.410 10.069 5.607 1.00 0.55 C ATOM 974 C PHE A 92 0.903 9.855 5.531 1.00 0.48 C ATOM 975 O PHE A 92 0.421 8.724 5.623 1.00 0.47 O ATOM 976 CB PHE A 92 2.988 10.575 4.269 1.00 0.72 C ATOM 977 CG PHE A 92 2.971 9.592 3.128 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.788 8.965 2.761 1.00 1.25 C ATOM 979 CD2 PHE A 92 4.129 9.277 2.436 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.765 8.050 1.728 1.00 2.19 C ATOM 981 CE2 PHE A 92 4.109 8.367 1.403 1.00 2.86 C ATOM 982 CZ PHE A 92 2.954 7.808 0.999 1.00 3.01 C ATOM 0 H PHE A 92 2.873 8.028 5.506 1.00 0.49 H new ATOM 0 HA PHE A 92 2.603 10.853 6.339 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.430 11.461 3.967 1.00 0.72 H new ATOM 0 HB3 PHE A 92 4.018 10.889 4.437 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.875 9.196 3.290 1.00 1.25 H new ATOM 0 HD2 PHE A 92 5.060 9.751 2.710 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.854 7.527 1.480 1.00 2.19 H new ATOM 0 HE2 PHE A 92 5.032 8.099 0.911 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.934 7.177 0.122 1.00 3.01 H new ATOM 992 N GLU A 93 0.166 10.942 5.379 1.00 0.48 N ATOM 993 CA GLU A 93 -1.288 10.890 5.377 1.00 0.47 C ATOM 994 C GLU A 93 -1.805 10.993 3.947 1.00 0.45 C ATOM 995 O GLU A 93 -1.561 11.982 3.253 1.00 0.53 O ATOM 996 CB GLU A 93 -1.847 12.026 6.232 1.00 0.58 C ATOM 997 CG GLU A 93 -3.361 12.045 6.330 1.00 1.30 C ATOM 998 CD GLU A 93 -3.856 13.201 7.170 1.00 1.73 C ATOM 999 OE1 GLU A 93 -4.351 12.952 8.289 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -3.768 14.359 6.714 1.00 2.04 O ATOM 0 H GLU A 93 0.553 11.878 5.255 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.618 9.941 5.800 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.430 11.949 7.236 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.509 12.976 5.819 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -3.789 12.113 5.330 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.709 11.107 6.762 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.512 9.961 3.514 1.00 0.44 N ATOM 1008 CA TYR A 94 -2.931 9.846 2.126 1.00 0.51 C ATOM 1009 C TYR A 94 -4.398 9.446 2.048 1.00 0.42 C ATOM 1010 O TYR A 94 -4.932 8.831 2.972 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.050 8.808 1.417 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.209 8.773 -0.085 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.691 7.642 -0.730 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -1.868 9.873 -0.858 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -2.830 7.610 -2.105 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.005 9.850 -2.231 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.484 8.717 -2.850 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.616 8.696 -4.218 1.00 3.37 O ATOM 0 H TYR A 94 -2.809 9.187 4.108 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.817 10.810 1.631 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.006 9.013 1.655 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.280 7.821 1.817 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -2.962 6.773 -0.148 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.489 10.763 -0.377 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.207 6.723 -2.593 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -1.738 10.717 -2.817 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.355 8.102 -4.466 1.00 3.37 H new ATOM 1028 N THR A 95 -5.054 9.807 0.958 1.00 0.46 N ATOM 1029 CA THR A 95 -6.443 9.458 0.770 1.00 0.46 C ATOM 1030 C THR A 95 -6.597 8.318 -0.231 1.00 0.47 C ATOM 1031 O THR A 95 -5.754 8.133 -1.107 1.00 0.60 O ATOM 1032 CB THR A 95 -7.145 10.496 0.364 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.441 11.180 -0.688 1.00 1.40 O ATOM 1034 CG2 THR A 95 -7.419 11.457 1.505 1.00 1.09 C ATOM 0 H THR A 95 -4.643 10.341 0.193 1.00 0.46 H new ATOM 0 HA THR A 95 -6.823 9.131 1.738 1.00 0.46 H new ATOM 0 HB THR A 95 -8.102 10.131 -0.010 1.00 0.59 H new ATOM 0 HG1 THR A 95 -6.968 11.950 -0.987 1.00 1.40 H new ATOM 0 HG21 THR A 95 -8.000 12.303 1.137 1.00 1.09 H new ATOM 0 HG22 THR A 95 -7.980 10.944 2.286 1.00 1.09 H new ATOM 0 HG23 THR A 95 -6.474 11.816 1.913 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.642 7.525 -0.061 1.00 0.43 N ATOM 1043 CA PHE A 96 -7.916 6.407 -0.954 1.00 0.53 C ATOM 1044 C PHE A 96 -9.360 6.445 -1.418 1.00 0.62 C ATOM 1045 O PHE A 96 -10.289 6.356 -0.612 1.00 0.78 O ATOM 1046 CB PHE A 96 -7.612 5.069 -0.273 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.145 4.754 -0.197 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.469 4.257 -1.297 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -5.444 4.962 0.978 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.120 3.972 -1.226 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -4.095 4.678 1.057 1.00 1.18 C ATOM 1052 CZ PHE A 96 -3.435 4.161 -0.065 1.00 1.03 C ATOM 0 H PHE A 96 -8.320 7.635 0.693 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.263 6.501 -1.822 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.025 5.082 0.736 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.119 4.271 -0.815 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.002 4.090 -2.221 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -5.959 5.351 1.844 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.605 3.596 -2.098 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -3.554 4.853 1.975 1.00 1.18 H new ATOM 0 HZ PHE A 96 -2.385 3.913 -0.009 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.536 6.619 -2.715 1.00 0.66 N ATOM 1063 CA ASP A 97 -10.853 6.621 -3.325 1.00 0.88 C ATOM 1064 C ASP A 97 -10.894 5.577 -4.435 1.00 0.95 C ATOM 1065 O ASP A 97 -10.103 4.636 -4.418 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.198 8.018 -3.864 1.00 1.17 C ATOM 1067 CG ASP A 97 -10.231 8.514 -4.923 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.593 8.493 -6.117 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -9.118 8.955 -4.564 1.00 2.57 O ATOM 0 H ASP A 97 -8.771 6.763 -3.374 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.601 6.367 -2.574 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -12.204 7.999 -4.283 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -11.211 8.726 -3.035 1.00 1.17 H new ATOM 1074 N TYR A 98 -11.828 5.728 -5.371 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.964 4.813 -6.509 1.00 1.30 C ATOM 1076 C TYR A 98 -12.501 3.443 -6.068 1.00 1.26 C ATOM 1077 O TYR A 98 -13.670 3.128 -6.290 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.625 4.667 -7.246 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.710 3.884 -8.534 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.202 2.594 -8.612 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -11.302 4.428 -9.668 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.280 1.868 -9.781 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -11.382 3.707 -10.844 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.865 2.458 -10.914 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.949 1.699 -12.063 1.00 3.21 O ATOM 0 H TYR A 98 -12.512 6.485 -5.365 1.00 1.21 H new ATOM 0 HA TYR A 98 -12.691 5.242 -7.198 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -10.232 5.660 -7.463 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.910 4.179 -6.584 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.738 2.152 -7.742 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -11.705 5.429 -9.629 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -9.897 0.859 -9.825 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.859 4.141 -11.710 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.375 2.225 -12.772 1.00 3.21 H new ATOM 1095 N GLN A 99 -11.655 2.638 -5.431 1.00 1.11 N ATOM 1096 CA GLN A 99 -12.063 1.317 -4.948 1.00 1.70 C ATOM 1097 C GLN A 99 -12.541 1.405 -3.508 1.00 1.80 C ATOM 1098 O GLN A 99 -12.872 0.403 -2.874 1.00 2.28 O ATOM 1099 CB GLN A 99 -10.910 0.317 -5.060 1.00 2.11 C ATOM 1100 CG GLN A 99 -10.625 -0.119 -6.486 1.00 2.28 C ATOM 1101 CD GLN A 99 -11.829 -0.773 -7.131 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -12.018 -1.984 -7.036 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -12.657 0.023 -7.786 1.00 2.81 N ATOM 0 H GLN A 99 -10.682 2.875 -5.236 1.00 1.11 H new ATOM 0 HA GLN A 99 -12.885 0.966 -5.572 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -10.010 0.763 -4.638 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -11.142 -0.562 -4.459 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.323 0.746 -7.076 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -9.787 -0.816 -6.491 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -12.465 1.023 -7.842 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -13.487 -0.363 -8.235 1.00 2.81 H new ATOM 1112 N MET A 100 -12.580 2.625 -3.016 1.00 1.50 N ATOM 1113 CA MET A 100 -12.998 2.924 -1.661 1.00 1.55 C ATOM 1114 C MET A 100 -13.622 4.303 -1.651 1.00 1.40 C ATOM 1115 O MET A 100 -13.306 5.127 -2.511 1.00 1.30 O ATOM 1116 CB MET A 100 -11.784 2.867 -0.717 1.00 1.54 C ATOM 1117 CG MET A 100 -12.107 3.143 0.744 1.00 1.64 C ATOM 1118 SD MET A 100 -13.372 2.041 1.407 1.00 2.37 S ATOM 1119 CE MET A 100 -13.401 2.570 3.117 1.00 2.85 C ATOM 0 H MET A 100 -12.318 3.451 -3.554 1.00 1.50 H new ATOM 0 HA MET A 100 -13.728 2.192 -1.315 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.325 1.881 -0.795 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.043 3.591 -1.055 1.00 1.54 H new ATOM 0 HG2 MET A 100 -11.198 3.042 1.337 1.00 1.64 H new ATOM 0 HG3 MET A 100 -12.442 4.175 0.848 1.00 1.64 H new ATOM 0 HE1 MET A 100 -14.137 1.983 3.667 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.416 2.424 3.560 1.00 2.85 H new ATOM 0 HE3 MET A 100 -13.668 3.626 3.167 1.00 2.85 H new ATOM 1129 N THR A 101 -14.540 4.548 -0.732 1.00 1.46 N ATOM 1130 CA THR A 101 -15.033 5.889 -0.531 1.00 1.40 C ATOM 1131 C THR A 101 -13.875 6.751 -0.063 1.00 1.14 C ATOM 1132 O THR A 101 -12.952 6.227 0.554 1.00 1.13 O ATOM 1133 CB THR A 101 -16.020 5.924 0.347 1.00 1.54 C ATOM 1134 OG1 THR A 101 -15.683 5.131 1.497 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.315 5.416 -0.259 1.00 2.05 C ATOM 0 H THR A 101 -14.952 3.842 -0.122 1.00 1.46 H new ATOM 0 HA THR A 101 -15.436 6.267 -1.471 1.00 1.40 H new ATOM 0 HB THR A 101 -16.165 6.962 0.647 1.00 1.54 H new ATOM 0 HG1 THR A 101 -16.419 5.163 2.144 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.107 5.457 0.488 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.587 6.039 -1.111 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.182 4.386 -0.590 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.853 8.049 -0.416 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.740 8.943 -0.073 1.00 1.00 C ATOM 1145 C PRO A 102 -12.413 8.929 1.417 1.00 0.92 C ATOM 1146 O PRO A 102 -12.951 9.719 2.194 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.244 10.322 -0.505 1.00 1.32 C ATOM 1148 CG PRO A 102 -14.239 10.040 -1.571 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.895 8.746 -1.187 1.00 1.44 C ATOM 0 HA PRO A 102 -11.813 8.643 -0.562 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.698 10.857 0.329 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.429 10.943 -0.877 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.972 10.843 -1.644 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.756 9.960 -2.545 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.792 8.912 -0.591 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.197 8.173 -2.064 1.00 1.44 H new ATOM 1157 N THR A 103 -11.571 7.986 1.817 1.00 0.73 N ATOM 1158 CA THR A 103 -11.126 7.895 3.194 1.00 0.70 C ATOM 1159 C THR A 103 -9.739 8.519 3.359 1.00 0.58 C ATOM 1160 O THR A 103 -8.952 8.553 2.412 1.00 0.54 O ATOM 1161 CB THR A 103 -11.095 6.632 3.592 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.295 5.960 3.173 1.00 1.34 O ATOM 1163 CG2 THR A 103 -10.961 6.510 5.102 1.00 1.40 C ATOM 0 H THR A 103 -11.183 7.272 1.201 1.00 0.73 H new ATOM 0 HA THR A 103 -11.836 8.445 3.811 1.00 0.70 H new ATOM 0 HB THR A 103 -10.219 6.170 3.136 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.359 5.984 2.195 1.00 1.34 H new ATOM 0 HG21 THR A 103 -10.940 5.457 5.381 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.037 6.990 5.425 1.00 1.40 H new ATOM 0 HG23 THR A 103 -11.810 6.996 5.583 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.478 9.072 4.539 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.165 9.603 4.872 1.00 0.59 C ATOM 1173 C LYS A 104 -7.453 8.631 5.797 1.00 0.58 C ATOM 1174 O LYS A 104 -7.940 8.337 6.890 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.270 10.970 5.568 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.667 12.130 4.663 1.00 1.45 C ATOM 1177 CD LYS A 104 -10.098 12.019 4.164 1.00 1.90 C ATOM 1178 CE LYS A 104 -10.521 13.268 3.410 1.00 2.46 C ATOM 1179 NZ LYS A 104 -10.499 14.471 4.283 1.00 3.08 N ATOM 0 H LYS A 104 -10.167 9.163 5.286 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.606 9.732 3.945 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.999 10.894 6.375 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -7.309 11.201 6.027 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -8.547 13.067 5.206 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -7.990 12.168 3.809 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -10.191 11.150 3.513 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -10.768 11.858 5.009 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -9.856 13.423 2.560 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -11.525 13.128 3.008 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -11.081 15.220 3.857 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -10.880 14.227 5.220 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -9.521 14.808 4.384 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.322 8.107 5.358 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.575 7.162 6.171 1.00 0.47 C ATOM 1195 C VAL A 105 -4.150 7.637 6.416 1.00 0.40 C ATOM 1196 O VAL A 105 -3.652 8.552 5.757 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.542 5.944 5.638 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -6.939 5.336 5.570 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -4.901 5.948 4.262 1.00 0.94 C ATOM 0 H VAL A 105 -5.903 8.317 4.452 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.106 7.107 7.121 1.00 0.47 H new ATOM 0 HB VAL A 105 -4.926 5.326 6.292 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -6.881 4.340 5.130 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.354 5.265 6.575 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.581 5.967 4.956 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -4.893 4.934 3.861 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.471 6.597 3.597 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -3.878 6.316 4.338 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.519 7.027 7.399 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.132 7.289 7.714 1.00 0.42 C ATOM 1211 C LYS A 106 -1.329 6.054 7.348 1.00 0.40 C ATOM 1212 O LYS A 106 -1.528 4.982 7.920 1.00 0.47 O ATOM 1213 CB LYS A 106 -2.002 7.643 9.200 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.580 7.898 9.675 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.567 8.646 11.004 1.00 0.83 C ATOM 1216 CE LYS A 106 -1.498 8.004 12.027 1.00 1.56 C ATOM 1217 NZ LYS A 106 -1.590 8.803 13.280 1.00 1.69 N ATOM 0 H LYS A 106 -3.957 6.332 8.004 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.749 8.137 7.147 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.601 8.531 9.401 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.427 6.831 9.791 1.00 0.48 H new ATOM 0 HG2 LYS A 106 -0.055 6.949 9.784 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.041 8.476 8.924 1.00 0.71 H new ATOM 0 HD2 LYS A 106 0.449 8.666 11.399 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.866 9.681 10.841 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -2.492 7.895 11.593 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -1.141 7.001 12.262 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -2.233 8.330 13.947 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 -0.646 8.886 13.709 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -1.955 9.752 13.061 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.451 6.197 6.369 1.00 0.37 N ATOM 1232 CA VAL A 107 0.196 5.061 5.757 1.00 0.42 C ATOM 1233 C VAL A 107 1.647 4.993 6.191 1.00 0.40 C ATOM 1234 O VAL A 107 2.435 5.893 5.899 1.00 0.54 O ATOM 1235 CB VAL A 107 0.135 5.139 4.434 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.720 3.887 3.788 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.293 5.369 3.960 1.00 1.27 C ATOM 0 H VAL A 107 -0.172 7.099 5.982 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.325 4.160 6.080 1.00 0.42 H new ATOM 0 HB VAL A 107 0.734 5.996 4.125 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.659 3.975 2.703 1.00 1.26 H new ATOM 0 HG12 VAL A 107 1.763 3.778 4.085 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.157 3.012 4.114 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -1.310 5.428 2.872 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.923 4.542 4.288 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.670 6.301 4.380 1.00 1.27 H new ATOM 1247 N HIS A 108 1.992 3.938 6.903 1.00 0.34 N ATOM 1248 CA HIS A 108 3.353 3.746 7.353 1.00 0.34 C ATOM 1249 C HIS A 108 4.026 2.686 6.504 1.00 0.32 C ATOM 1250 O HIS A 108 3.694 1.505 6.594 1.00 0.44 O ATOM 1251 CB HIS A 108 3.394 3.346 8.833 1.00 0.45 C ATOM 1252 CG HIS A 108 4.786 3.194 9.374 1.00 0.53 C ATOM 1253 ND1 HIS A 108 5.173 2.146 10.178 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.883 3.972 9.223 1.00 0.54 C ATOM 1255 CE1 HIS A 108 6.447 2.286 10.499 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.901 3.386 9.930 1.00 0.68 N ATOM 0 H HIS A 108 1.345 3.200 7.182 1.00 0.34 H new ATOM 0 HA HIS A 108 3.889 4.689 7.246 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.865 4.098 9.419 1.00 0.45 H new ATOM 0 HB3 HIS A 108 2.858 2.406 8.962 1.00 0.45 H new ATOM 0 HD2 HIS A 108 5.945 4.886 8.651 1.00 0.54 H new ATOM 0 HE1 HIS A 108 7.019 1.614 11.121 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.854 3.742 10.004 1.00 0.68 H new ATOM 1265 N MET A 109 4.955 3.119 5.673 1.00 0.30 N ATOM 1266 CA MET A 109 5.711 2.202 4.838 1.00 0.39 C ATOM 1267 C MET A 109 7.105 2.023 5.415 1.00 0.34 C ATOM 1268 O MET A 109 7.740 2.995 5.816 1.00 0.45 O ATOM 1269 CB MET A 109 5.770 2.687 3.376 1.00 0.65 C ATOM 1270 CG MET A 109 6.444 4.034 3.146 1.00 0.87 C ATOM 1271 SD MET A 109 5.424 5.420 3.680 1.00 2.22 S ATOM 1272 CE MET A 109 3.933 5.109 2.739 1.00 2.49 C ATOM 0 H MET A 109 5.205 4.101 5.557 1.00 0.30 H new ATOM 0 HA MET A 109 5.204 1.237 4.831 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.294 1.935 2.786 1.00 0.65 H new ATOM 0 HB3 MET A 109 4.752 2.742 2.991 1.00 0.65 H new ATOM 0 HG2 MET A 109 7.392 4.058 3.683 1.00 0.87 H new ATOM 0 HG3 MET A 109 6.675 4.144 2.086 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.166 5.830 3.023 1.00 2.49 H new ATOM 0 HE2 MET A 109 4.147 5.208 1.675 1.00 2.49 H new ATOM 0 HE3 MET A 109 3.576 4.100 2.945 1.00 2.49 H new ATOM 1282 N LYS A 110 7.564 0.779 5.491 1.00 0.32 N ATOM 1283 CA LYS A 110 8.841 0.484 6.128 1.00 0.35 C ATOM 1284 C LYS A 110 9.502 -0.711 5.453 1.00 0.32 C ATOM 1285 O LYS A 110 8.823 -1.594 4.944 1.00 0.45 O ATOM 1286 CB LYS A 110 8.649 0.217 7.627 1.00 0.50 C ATOM 1287 CG LYS A 110 8.060 -1.149 7.947 1.00 0.97 C ATOM 1288 CD LYS A 110 7.797 -1.310 9.437 1.00 0.91 C ATOM 1289 CE LYS A 110 7.710 -2.777 9.833 1.00 1.31 C ATOM 1290 NZ LYS A 110 9.047 -3.433 9.845 1.00 1.57 N ATOM 0 H LYS A 110 7.074 -0.036 5.122 1.00 0.32 H new ATOM 0 HA LYS A 110 9.492 1.351 6.017 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.613 0.311 8.128 1.00 0.50 H new ATOM 0 HB3 LYS A 110 7.998 0.987 8.041 1.00 0.50 H new ATOM 0 HG2 LYS A 110 7.129 -1.283 7.396 1.00 0.97 H new ATOM 0 HG3 LYS A 110 8.744 -1.929 7.611 1.00 0.97 H new ATOM 0 HD2 LYS A 110 8.593 -0.826 10.002 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.867 -0.805 9.700 1.00 0.91 H new ATOM 0 HE2 LYS A 110 7.257 -2.859 10.821 1.00 1.31 H new ATOM 0 HE3 LYS A 110 7.055 -3.302 9.137 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 8.974 -4.361 10.310 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.380 -3.560 8.868 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 9.722 -2.837 10.366 1.00 1.57 H new ATOM 1304 N LYS A 111 10.819 -0.739 5.459 1.00 0.37 N ATOM 1305 CA LYS A 111 11.567 -1.735 4.712 1.00 0.38 C ATOM 1306 C LYS A 111 11.762 -3.006 5.536 1.00 0.43 C ATOM 1307 O LYS A 111 12.219 -2.950 6.680 1.00 0.60 O ATOM 1308 CB LYS A 111 12.926 -1.150 4.325 1.00 0.49 C ATOM 1309 CG LYS A 111 13.566 -1.818 3.127 1.00 0.56 C ATOM 1310 CD LYS A 111 14.996 -1.342 2.919 1.00 1.03 C ATOM 1311 CE LYS A 111 15.620 -1.991 1.695 1.00 1.49 C ATOM 1312 NZ LYS A 111 15.755 -3.465 1.843 1.00 2.13 N ATOM 0 H LYS A 111 11.399 -0.079 5.977 1.00 0.37 H new ATOM 0 HA LYS A 111 11.006 -1.999 3.816 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.806 -0.087 4.114 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.601 -1.232 5.177 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.558 -2.899 3.265 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.978 -1.606 2.234 1.00 0.56 H new ATOM 0 HD2 LYS A 111 15.008 -0.258 2.805 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.592 -1.576 3.801 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.010 -1.771 0.819 1.00 1.49 H new ATOM 0 HE3 LYS A 111 16.603 -1.555 1.517 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 16.742 -3.743 1.668 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 15.483 -3.743 2.807 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 15.135 -3.941 1.157 1.00 2.13 H new ATOM 1326 N ALA A 112 11.419 -4.145 4.953 1.00 0.44 N ATOM 1327 CA ALA A 112 11.602 -5.427 5.617 1.00 0.59 C ATOM 1328 C ALA A 112 12.198 -6.433 4.651 1.00 0.92 C ATOM 1329 O ALA A 112 11.683 -6.634 3.550 1.00 1.57 O ATOM 1330 CB ALA A 112 10.285 -5.939 6.170 1.00 0.96 C ATOM 0 H ALA A 112 11.012 -4.208 4.020 1.00 0.44 H new ATOM 0 HA ALA A 112 12.290 -5.290 6.451 1.00 0.59 H new ATOM 0 HB1 ALA A 112 10.445 -6.898 6.662 1.00 0.96 H new ATOM 0 HB2 ALA A 112 9.890 -5.223 6.891 1.00 0.96 H new ATOM 0 HB3 ALA A 112 9.572 -6.064 5.355 1.00 0.96 H new ATOM 1336 N LEU A 113 13.282 -7.068 5.054 1.00 1.01 N ATOM 1337 CA LEU A 113 13.988 -7.959 4.160 1.00 1.49 C ATOM 1338 C LEU A 113 13.755 -9.427 4.489 1.00 1.26 C ATOM 1339 O LEU A 113 14.392 -10.006 5.369 1.00 2.05 O ATOM 1340 CB LEU A 113 15.476 -7.634 4.154 1.00 2.52 C ATOM 1341 CG LEU A 113 16.376 -8.624 3.414 1.00 3.38 C ATOM 1342 CD1 LEU A 113 16.110 -8.573 1.918 1.00 3.91 C ATOM 1343 CD2 LEU A 113 17.837 -8.331 3.711 1.00 4.41 C ATOM 0 H LEU A 113 13.688 -6.984 5.986 1.00 1.01 H new ATOM 0 HA LEU A 113 13.584 -7.797 3.161 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.610 -6.648 3.708 1.00 2.52 H new ATOM 0 HB3 LEU A 113 15.817 -7.566 5.187 1.00 2.52 H new ATOM 0 HG LEU A 113 16.148 -9.631 3.765 1.00 3.38 H new ATOM 0 HD11 LEU A 113 16.760 -9.284 1.408 1.00 3.91 H new ATOM 0 HD12 LEU A 113 15.069 -8.830 1.725 1.00 3.91 H new ATOM 0 HD13 LEU A 113 16.311 -7.568 1.547 1.00 3.91 H new ATOM 0 HD21 LEU A 113 18.467 -9.043 3.178 1.00 4.41 H new ATOM 0 HD22 LEU A 113 18.078 -7.319 3.386 1.00 4.41 H new ATOM 0 HD23 LEU A 113 18.015 -8.420 4.783 1.00 4.41 H new ATOM 1355 N SER A 114 12.787 -9.984 3.802 1.00 1.21 N ATOM 1356 CA SER A 114 12.657 -11.421 3.648 1.00 1.56 C ATOM 1357 C SER A 114 12.903 -11.663 2.173 1.00 1.72 C ATOM 1358 O SER A 114 13.860 -12.318 1.765 1.00 2.36 O ATOM 1359 CB SER A 114 11.261 -11.896 4.068 1.00 2.13 C ATOM 1360 OG SER A 114 11.165 -13.311 4.065 1.00 2.55 O ATOM 0 H SER A 114 12.058 -9.451 3.328 1.00 1.21 H new ATOM 0 HA SER A 114 13.355 -11.973 4.277 1.00 1.56 H new ATOM 0 HB2 SER A 114 11.033 -11.518 5.065 1.00 2.13 H new ATOM 0 HB3 SER A 114 10.516 -11.479 3.390 1.00 2.13 H new ATOM 0 HG SER A 114 10.263 -13.578 4.339 1.00 2.55 H new ATOM 1366 N GLY A 115 12.016 -11.087 1.388 1.00 1.73 N ATOM 1367 CA GLY A 115 12.344 -10.672 0.054 1.00 2.05 C ATOM 1368 C GLY A 115 12.340 -9.163 0.058 1.00 1.87 C ATOM 1369 O GLY A 115 11.548 -8.578 0.799 1.00 2.62 O ATOM 0 H GLY A 115 11.052 -10.897 1.662 1.00 1.73 H new ATOM 0 HA2 GLY A 115 13.320 -11.056 -0.242 1.00 2.05 H new ATOM 0 HA3 GLY A 115 11.619 -11.059 -0.662 1.00 2.05 H new ATOM 1373 N ASP A 116 13.229 -8.523 -0.688 1.00 1.38 N ATOM 1374 CA ASP A 116 13.328 -7.065 -0.652 1.00 1.29 C ATOM 1375 C ASP A 116 11.996 -6.416 -1.001 1.00 1.01 C ATOM 1376 O ASP A 116 11.608 -6.330 -2.165 1.00 1.32 O ATOM 1377 CB ASP A 116 14.426 -6.553 -1.583 1.00 1.58 C ATOM 1378 CG ASP A 116 14.543 -5.039 -1.549 1.00 2.09 C ATOM 1379 OD1 ASP A 116 14.192 -4.382 -2.554 1.00 2.76 O ATOM 1380 OD2 ASP A 116 14.982 -4.494 -0.511 1.00 2.42 O ATOM 0 H ASP A 116 13.886 -8.981 -1.320 1.00 1.38 H new ATOM 0 HA ASP A 116 13.593 -6.786 0.368 1.00 1.29 H new ATOM 0 HB2 ASP A 116 15.380 -6.996 -1.297 1.00 1.58 H new ATOM 0 HB3 ASP A 116 14.217 -6.877 -2.602 1.00 1.58 H new ATOM 1385 N SER A 117 11.294 -5.996 0.036 1.00 0.60 N ATOM 1386 CA SER A 117 10.008 -5.349 -0.094 1.00 0.36 C ATOM 1387 C SER A 117 9.751 -4.504 1.145 1.00 0.34 C ATOM 1388 O SER A 117 10.612 -4.417 2.026 1.00 0.54 O ATOM 1389 CB SER A 117 8.900 -6.392 -0.300 1.00 0.35 C ATOM 1390 OG SER A 117 9.099 -7.515 0.546 1.00 1.07 O ATOM 0 H SER A 117 11.607 -6.097 1.001 1.00 0.60 H new ATOM 0 HA SER A 117 10.009 -4.699 -0.969 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.929 -5.943 -0.093 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.887 -6.714 -1.341 1.00 0.35 H new ATOM 0 HG SER A 117 9.938 -7.961 0.305 1.00 1.07 H new ATOM 1396 N TYR A 118 8.596 -3.871 1.222 1.00 0.22 N ATOM 1397 CA TYR A 118 8.306 -2.984 2.315 1.00 0.24 C ATOM 1398 C TYR A 118 6.971 -3.368 2.910 1.00 0.24 C ATOM 1399 O TYR A 118 6.118 -3.936 2.228 1.00 0.26 O ATOM 1400 CB TYR A 118 8.274 -1.541 1.801 1.00 0.30 C ATOM 1401 CG TYR A 118 9.397 -1.258 0.837 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.193 -1.362 -0.530 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.666 -0.937 1.292 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.228 -1.154 -1.421 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.704 -0.718 0.408 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.483 -0.831 -0.946 1.00 0.67 C ATOM 1407 OH TYR A 118 12.523 -0.633 -1.825 1.00 0.86 O ATOM 0 H TYR A 118 7.847 -3.960 0.536 1.00 0.22 H new ATOM 0 HA TYR A 118 9.075 -3.061 3.084 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.319 -1.353 1.310 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.340 -0.854 2.645 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.210 -1.609 -0.904 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.846 -0.857 2.354 1.00 0.57 H new ATOM 0 HE1 TYR A 118 10.056 -1.244 -2.483 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.685 -0.459 0.777 1.00 0.72 H new ATOM 0 HH TYR A 118 13.336 -0.412 -1.325 1.00 0.86 H new ATOM 1417 N TRP A 119 6.786 -3.056 4.166 1.00 0.27 N ATOM 1418 CA TRP A 119 5.519 -3.286 4.802 1.00 0.30 C ATOM 1419 C TRP A 119 4.775 -1.978 4.857 1.00 0.33 C ATOM 1420 O TRP A 119 5.100 -1.090 5.646 1.00 0.38 O ATOM 1421 CB TRP A 119 5.700 -3.851 6.208 1.00 0.36 C ATOM 1422 CG TRP A 119 5.876 -5.334 6.241 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.043 -6.018 6.389 1.00 0.48 C ATOM 1424 CD2 TRP A 119 4.845 -6.320 6.127 1.00 0.42 C ATOM 1425 NE1 TRP A 119 6.804 -7.370 6.377 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.462 -7.580 6.216 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.459 -6.259 5.959 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 4.744 -8.768 6.146 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.747 -7.438 5.888 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.391 -8.677 5.980 1.00 0.62 C ATOM 0 H TRP A 119 7.498 -2.642 4.768 1.00 0.27 H new ATOM 0 HA TRP A 119 4.954 -4.020 4.228 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.568 -3.381 6.670 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.833 -3.583 6.812 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.016 -5.563 6.500 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.511 -8.099 6.473 1.00 0.52 H new ATOM 0 HE3 TRP A 119 2.955 -5.307 5.886 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.237 -9.726 6.220 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 1.675 -7.405 5.759 1.00 0.63 H new ATOM 0 HH2 TRP A 119 2.805 -9.582 5.918 1.00 0.62 H new ATOM 1441 N VAL A 120 3.803 -1.857 3.980 1.00 0.33 N ATOM 1442 CA VAL A 120 3.031 -0.646 3.869 1.00 0.37 C ATOM 1443 C VAL A 120 1.680 -0.834 4.561 1.00 0.40 C ATOM 1444 O VAL A 120 0.772 -1.491 4.048 1.00 0.55 O ATOM 1445 CB VAL A 120 2.897 -0.330 2.581 1.00 0.40 C ATOM 1446 CG1 VAL A 120 1.859 0.770 2.367 1.00 0.90 C ATOM 1447 CG2 VAL A 120 4.234 0.096 2.002 1.00 0.91 C ATOM 0 H VAL A 120 3.529 -2.593 3.329 1.00 0.33 H new ATOM 0 HA VAL A 120 3.540 0.180 4.366 1.00 0.37 H new ATOM 0 HB VAL A 120 2.545 -1.221 2.062 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.782 0.996 1.303 1.00 0.90 H new ATOM 0 HG12 VAL A 120 0.891 0.433 2.737 1.00 0.90 H new ATOM 0 HG13 VAL A 120 2.162 1.667 2.907 1.00 0.90 H new ATOM 0 HG21 VAL A 120 4.110 0.351 0.950 1.00 0.91 H new ATOM 0 HG22 VAL A 120 4.605 0.965 2.545 1.00 0.91 H new ATOM 0 HG23 VAL A 120 4.948 -0.722 2.095 1.00 0.91 H new ATOM 1457 N PHE A 121 1.564 -0.245 5.746 1.00 0.39 N ATOM 1458 CA PHE A 121 0.376 -0.400 6.572 1.00 0.41 C ATOM 1459 C PHE A 121 -0.493 0.840 6.495 1.00 0.41 C ATOM 1460 O PHE A 121 0.013 1.964 6.520 1.00 0.49 O ATOM 1461 CB PHE A 121 0.754 -0.624 8.041 1.00 0.48 C ATOM 1462 CG PHE A 121 1.654 -1.799 8.290 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.005 -1.608 8.536 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.151 -3.087 8.299 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.837 -2.682 8.785 1.00 0.65 C ATOM 1466 CE2 PHE A 121 1.978 -4.166 8.544 1.00 0.79 C ATOM 1467 CZ PHE A 121 3.323 -3.963 8.789 1.00 0.73 C ATOM 0 H PHE A 121 2.285 0.348 6.157 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.169 -1.265 6.194 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.242 0.275 8.416 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.160 -0.756 8.620 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.412 -0.607 8.533 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.100 -3.251 8.112 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.888 -2.520 8.976 1.00 0.65 H new ATOM 0 HE2 PHE A 121 1.574 -5.168 8.544 1.00 0.79 H new ATOM 0 HZ PHE A 121 3.971 -4.805 8.983 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.795 0.638 6.412 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.732 1.748 6.430 1.00 0.51 C ATOM 1479 C VAL A 122 -3.483 1.812 7.755 1.00 0.54 C ATOM 1480 O VAL A 122 -3.612 0.807 8.461 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.601 1.696 5.430 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -2.903 1.960 4.103 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -4.331 0.364 5.390 1.00 1.16 C ATOM 0 H VAL A 122 -2.228 -0.282 6.332 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.135 2.652 6.308 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.344 2.475 5.599 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.631 1.913 3.293 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.445 2.949 4.123 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -2.132 1.207 3.941 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -5.034 0.359 4.557 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -3.609 -0.443 5.260 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.874 0.218 6.324 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.920 3.011 8.117 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.685 3.218 9.337 1.00 0.66 C ATOM 1495 C LYS A 123 -5.646 4.388 9.163 1.00 0.55 C ATOM 1496 O LYS A 123 -5.222 5.538 9.033 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.746 3.470 10.525 1.00 0.93 C ATOM 1498 CG LYS A 123 -4.466 3.762 11.836 1.00 1.36 C ATOM 1499 CD LYS A 123 -5.359 2.607 12.262 1.00 1.80 C ATOM 1500 CE LYS A 123 -6.188 2.960 13.488 1.00 2.62 C ATOM 1501 NZ LYS A 123 -5.348 3.176 14.697 1.00 3.31 N ATOM 0 H LYS A 123 -3.755 3.861 7.577 1.00 0.52 H new ATOM 0 HA LYS A 123 -5.263 2.317 9.541 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -3.107 2.598 10.660 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -3.093 4.310 10.287 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -3.732 3.960 12.617 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -5.067 4.665 11.727 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -6.022 2.337 11.440 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -4.745 1.732 12.477 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -6.767 3.861 13.285 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -6.902 2.160 13.683 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -5.961 3.347 15.520 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -4.764 2.333 14.869 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -4.731 4.000 14.548 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.936 4.087 9.152 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.965 5.103 8.973 1.00 0.76 C ATOM 1517 C ARG A 124 -8.109 5.956 10.230 1.00 0.85 C ATOM 1518 O ARG A 124 -7.927 5.464 11.344 1.00 0.96 O ATOM 1519 CB ARG A 124 -9.300 4.433 8.627 1.00 1.03 C ATOM 1520 CG ARG A 124 -10.499 5.368 8.647 1.00 1.58 C ATOM 1521 CD ARG A 124 -11.775 4.630 8.273 1.00 2.10 C ATOM 1522 NE ARG A 124 -12.966 5.463 8.432 1.00 2.55 N ATOM 1523 CZ ARG A 124 -13.942 5.551 7.526 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -13.849 4.900 6.373 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -15.013 6.292 7.769 1.00 4.03 N ATOM 0 H ARG A 124 -7.298 3.140 9.266 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.670 5.758 8.153 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.221 3.985 7.636 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -9.477 3.620 9.331 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -10.606 5.806 9.639 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -10.334 6.191 7.952 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -11.706 4.292 7.239 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -11.872 3.739 8.894 1.00 2.10 H new ATOM 0 HE ARG A 124 -13.057 6.010 9.288 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -13.028 4.328 6.175 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -14.599 4.972 5.685 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -15.094 6.798 8.651 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -15.757 6.357 7.074 1.00 4.03 H new ATOM 1539 N VAL A 125 -8.403 7.236 10.044 1.00 1.06 N ATOM 1540 CA VAL A 125 -8.666 8.128 11.162 1.00 1.33 C ATOM 1541 C VAL A 125 -10.060 7.879 11.740 1.00 2.00 C ATOM 1542 O VAL A 125 -10.149 7.239 12.806 1.00 2.87 O ATOM 1543 CB VAL A 125 -8.519 9.410 10.836 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -7.039 9.771 10.790 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -9.180 9.751 9.506 1.00 2.08 C ATOM 1546 OXT VAL A 125 -11.063 8.283 11.117 1.00 2.26 O ATOM 0 H VAL A 125 -8.465 7.679 9.127 1.00 1.06 H new ATOM 0 HA VAL A 125 -7.921 7.903 11.926 1.00 1.33 H new ATOM 0 HB VAL A 125 -9.018 9.998 11.606 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -6.929 10.822 10.522 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -6.591 9.597 11.769 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -6.537 9.153 10.046 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -9.031 10.808 9.286 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -8.735 9.149 8.714 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -10.248 9.540 9.566 1.00 2.08 H new TER 1556 VAL A 125 HETATM 1557 C1 HC4 A 169 -7.078 4.072 -5.537 1.00 0.71 C HETATM 1558 O1 HC4 A 169 -6.977 3.548 -6.645 1.00 0.73 O HETATM 1559 C2 HC4 A 169 -7.324 3.268 -4.267 1.00 0.72 C HETATM 1560 C3 HC4 A 169 -7.418 1.962 -4.329 1.00 0.71 C HETATM 1561 C1' HC4 A 169 -7.645 1.098 -3.194 1.00 0.75 C HETATM 1562 C2' HC4 A 169 -7.725 -0.279 -3.360 1.00 0.80 C HETATM 1563 C3' HC4 A 169 -7.944 -1.113 -2.281 1.00 0.86 C HETATM 1564 C4' HC4 A 169 -8.085 -0.581 -1.022 1.00 0.89 C HETATM 1565 C5' HC4 A 169 -8.007 0.779 -0.830 1.00 0.90 C HETATM 1566 C6' HC4 A 169 -7.790 1.612 -1.912 1.00 0.82 C HETATM 1567 O4' HC4 A 169 -8.311 -1.416 0.048 1.00 0.99 O HETATM 0 HO4' HC4 A 169 -9.147 -1.908 -0.092 1.00 0.99 H new HETATM 0 H6' HC4 A 169 -7.732 2.689 -1.756 1.00 0.82 H new HETATM 0 H5' HC4 A 169 -8.116 1.198 0.170 1.00 0.90 H new HETATM 0 H3' HC4 A 169 -8.005 -2.191 -2.428 1.00 0.86 H new HETATM 0 H3 HC4 A 169 -7.318 1.494 -5.308 1.00 0.71 H new HETATM 0 H2' HC4 A 169 -7.613 -0.707 -4.356 1.00 0.80 H new HETATM 0 H2 HC4 A 169 -7.422 3.778 -3.308 1.00 0.72 H new