USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 SER OG : rot -107:sc= 1.05 USER MOD Set 2.2: A 87 ASN : amide:sc= 0.763 K(o=1.8,f=-1.6!) USER MOD Set 3.1: A 38 ASN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Set 3.2: A 61 ASN : amide:sc=-0.00736 X(o=-1.3,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= -1.91 K(o=-1.9,f=-7.7!) USER MOD Single : A 41 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.017) USER MOD Single : A 42 TYR OH : rot -174:sc= -0.0307 USER MOD Single : A 43 ASN : amide:sc= 0.232 X(o=0.23,f=-0.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0801 (180deg=-0.339) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 72 SER OG : rot 42:sc= 0.362 USER MOD Single : A 76 TYR OH : rot 53:sc= 1.24 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0.0206 (180deg=-0.129) USER MOD Single : A 89 ASN : amide:sc= 0.382 X(o=0.38,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.935 K(o=-0.93,f=0) USER MOD Single : A 100 MET CE :methyl 163:sc= -0.119 (180deg=-0.525) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.08) USER MOD Single : A 106 LYS NZ :NH3+ -132:sc= 1.26 (180deg=0.856) USER MOD Single : A 108 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.33) USER MOD Single : A 109 MET CE :methyl 144:sc= -2.86 (180deg=-7.42!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.11) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 149:sc= -3.08! USER MOD Single : A 118 TYR OH : rot 62:sc= 0.651 USER MOD Single : A 123 LYS NZ :NH3+ -132:sc= 1.27 (180deg=0.624) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 14.876 -3.357 -10.333 1.00 8.65 N ATOM 2 CA LEU A 26 14.265 -4.248 -9.320 1.00 7.71 C ATOM 3 C LEU A 26 12.815 -4.524 -9.686 1.00 6.76 C ATOM 4 O LEU A 26 12.332 -4.061 -10.721 1.00 6.84 O ATOM 5 CB LEU A 26 14.333 -3.625 -7.917 1.00 7.84 C ATOM 6 CG LEU A 26 15.726 -3.560 -7.277 1.00 8.33 C ATOM 7 CD1 LEU A 26 16.579 -2.474 -7.917 1.00 8.50 C ATOM 8 CD2 LEU A 26 15.604 -3.336 -5.775 1.00 8.72 C ATOM 0 HA LEU A 26 14.827 -5.182 -9.307 1.00 7.71 H new ATOM 0 HB2 LEU A 26 13.932 -2.613 -7.971 1.00 7.84 H new ATOM 0 HB3 LEU A 26 13.678 -4.193 -7.257 1.00 7.84 H new ATOM 0 HG LEU A 26 16.224 -4.514 -7.450 1.00 8.33 H new ATOM 0 HD11 LEU A 26 17.559 -2.454 -7.441 1.00 8.50 H new ATOM 0 HD12 LEU A 26 16.696 -2.683 -8.980 1.00 8.50 H new ATOM 0 HD13 LEU A 26 16.093 -1.507 -7.788 1.00 8.50 H new ATOM 0 HD21 LEU A 26 16.599 -3.292 -5.332 1.00 8.72 H new ATOM 0 HD22 LEU A 26 15.081 -2.398 -5.588 1.00 8.72 H new ATOM 0 HD23 LEU A 26 15.044 -4.158 -5.329 1.00 8.72 H new ATOM 20 N ALA A 27 12.129 -5.278 -8.844 1.00 6.18 N ATOM 21 CA ALA A 27 10.729 -5.601 -9.066 1.00 5.48 C ATOM 22 C ALA A 27 9.860 -4.931 -8.008 1.00 4.38 C ATOM 23 O ALA A 27 10.352 -4.103 -7.236 1.00 4.57 O ATOM 24 CB ALA A 27 10.525 -7.110 -9.048 1.00 6.04 C ATOM 0 H ALA A 27 12.522 -5.681 -7.994 1.00 6.18 H new ATOM 0 HA ALA A 27 10.434 -5.225 -10.046 1.00 5.48 H new ATOM 0 HB1 ALA A 27 9.472 -7.337 -9.215 1.00 6.04 H new ATOM 0 HB2 ALA A 27 11.124 -7.568 -9.835 1.00 6.04 H new ATOM 0 HB3 ALA A 27 10.832 -7.507 -8.081 1.00 6.04 H new ATOM 30 N PHE A 28 8.568 -5.282 -7.999 1.00 3.64 N ATOM 31 CA PHE A 28 7.603 -4.779 -7.013 1.00 2.91 C ATOM 32 C PHE A 28 7.276 -3.310 -7.263 1.00 1.94 C ATOM 33 O PHE A 28 8.085 -2.565 -7.821 1.00 2.30 O ATOM 34 CB PHE A 28 8.110 -4.971 -5.575 1.00 3.48 C ATOM 35 CG PHE A 28 8.332 -6.409 -5.192 1.00 4.19 C ATOM 36 CD1 PHE A 28 9.589 -6.979 -5.295 1.00 4.76 C ATOM 37 CD2 PHE A 28 7.279 -7.190 -4.741 1.00 4.70 C ATOM 38 CE1 PHE A 28 9.795 -8.301 -4.949 1.00 5.72 C ATOM 39 CE2 PHE A 28 7.480 -8.512 -4.394 1.00 5.68 C ATOM 40 CZ PHE A 28 8.742 -9.060 -4.469 1.00 6.15 C ATOM 0 H PHE A 28 8.161 -5.925 -8.678 1.00 3.64 H new ATOM 0 HA PHE A 28 6.691 -5.364 -7.132 1.00 2.91 H new ATOM 0 HB2 PHE A 28 9.046 -4.425 -5.454 1.00 3.48 H new ATOM 0 HB3 PHE A 28 7.391 -4.529 -4.885 1.00 3.48 H new ATOM 0 HD1 PHE A 28 10.418 -6.384 -5.650 1.00 4.76 H new ATOM 0 HD2 PHE A 28 6.291 -6.760 -4.660 1.00 4.70 H new ATOM 0 HE1 PHE A 28 10.776 -8.741 -5.053 1.00 5.72 H new ATOM 0 HE2 PHE A 28 6.648 -9.116 -4.064 1.00 5.68 H new ATOM 0 HZ PHE A 28 8.909 -10.079 -4.154 1.00 6.15 H new ATOM 50 N GLY A 29 6.081 -2.895 -6.870 1.00 1.43 N ATOM 51 CA GLY A 29 5.709 -1.510 -7.047 1.00 0.99 C ATOM 52 C GLY A 29 4.229 -1.247 -6.868 1.00 0.78 C ATOM 53 O GLY A 29 3.800 -0.801 -5.807 1.00 1.00 O ATOM 0 H GLY A 29 5.371 -3.485 -6.437 1.00 1.43 H new ATOM 0 HA2 GLY A 29 6.266 -0.900 -6.335 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.008 -1.188 -8.045 1.00 0.99 H new ATOM 57 N ALA A 30 3.445 -1.548 -7.893 1.00 0.70 N ATOM 58 CA ALA A 30 2.067 -1.087 -7.953 1.00 0.54 C ATOM 59 C ALA A 30 1.078 -2.123 -7.432 1.00 0.49 C ATOM 60 O ALA A 30 0.742 -3.086 -8.121 1.00 0.60 O ATOM 61 CB ALA A 30 1.708 -0.707 -9.380 1.00 0.68 C ATOM 0 H ALA A 30 3.739 -2.108 -8.693 1.00 0.70 H new ATOM 0 HA ALA A 30 1.994 -0.215 -7.304 1.00 0.54 H new ATOM 0 HB1 ALA A 30 0.674 -0.363 -9.416 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.368 0.091 -9.721 1.00 0.68 H new ATOM 0 HB3 ALA A 30 1.824 -1.576 -10.028 1.00 0.68 H new ATOM 67 N ILE A 31 0.606 -1.915 -6.221 1.00 0.40 N ATOM 68 CA ILE A 31 -0.454 -2.731 -5.664 1.00 0.39 C ATOM 69 C ILE A 31 -1.580 -1.825 -5.182 1.00 0.35 C ATOM 70 O ILE A 31 -1.338 -0.712 -4.714 1.00 0.36 O ATOM 71 CB ILE A 31 0.011 -3.562 -4.721 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.069 -4.405 -4.037 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.875 -2.830 -3.697 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.725 -3.773 -2.818 1.00 0.90 C ATOM 0 H ILE A 31 0.943 -1.181 -5.598 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.865 -3.383 -6.435 1.00 0.39 H new ATOM 0 HB ILE A 31 0.641 -4.273 -5.257 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.845 -4.631 -4.768 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -0.627 -5.355 -3.737 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.232 -3.538 -2.950 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.727 -2.373 -4.200 1.00 0.52 H new ATOM 0 HG23 ILE A 31 0.283 -2.056 -3.209 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.473 -4.455 -2.413 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.968 -3.573 -2.060 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -2.205 -2.838 -3.107 1.00 0.90 H new ATOM 86 N GLN A 32 -2.808 -2.250 -5.417 1.00 0.38 N ATOM 87 CA GLN A 32 -3.959 -1.423 -5.096 1.00 0.40 C ATOM 88 C GLN A 32 -4.810 -2.057 -4.012 1.00 0.37 C ATOM 89 O GLN A 32 -5.067 -3.269 -4.019 1.00 0.44 O ATOM 90 CB GLN A 32 -4.795 -1.133 -6.351 1.00 0.50 C ATOM 91 CG GLN A 32 -5.588 -2.307 -6.901 1.00 0.55 C ATOM 92 CD GLN A 32 -7.063 -2.232 -6.547 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.443 -1.695 -5.508 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.904 -2.762 -7.414 1.00 0.93 N ATOM 0 H GLN A 32 -3.034 -3.157 -5.826 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.586 -0.474 -4.711 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.489 -0.324 -6.124 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.128 -0.770 -7.133 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -5.479 -2.338 -7.985 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -5.172 -3.236 -6.512 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.551 -3.199 -8.265 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.907 -2.735 -7.233 1.00 0.93 H new ATOM 103 N LEU A 33 -5.225 -1.230 -3.077 1.00 0.34 N ATOM 104 CA LEU A 33 -6.072 -1.671 -1.983 1.00 0.36 C ATOM 105 C LEU A 33 -7.143 -0.636 -1.699 1.00 0.35 C ATOM 106 O LEU A 33 -6.991 0.532 -2.032 1.00 0.43 O ATOM 107 CB LEU A 33 -5.214 -1.959 -0.744 1.00 0.45 C ATOM 108 CG LEU A 33 -4.272 -0.834 -0.297 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.006 0.200 0.541 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.093 -1.405 0.474 1.00 0.71 C ATOM 0 H LEU A 33 -4.988 -0.238 -3.051 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.577 -2.596 -2.263 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.879 -2.199 0.085 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.616 -2.849 -0.940 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.898 -0.335 -1.191 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.311 0.984 0.842 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -5.814 0.637 -0.046 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.420 -0.278 1.429 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.434 -0.594 0.784 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.456 -1.934 1.355 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.542 -2.097 -0.163 1.00 0.71 H new ATOM 122 N ASP A 34 -8.237 -1.062 -1.111 1.00 0.35 N ATOM 123 CA ASP A 34 -9.315 -0.133 -0.810 1.00 0.45 C ATOM 124 C ASP A 34 -9.084 0.540 0.533 1.00 0.53 C ATOM 125 O ASP A 34 -8.392 0.012 1.405 1.00 0.58 O ATOM 126 CB ASP A 34 -10.701 -0.802 -0.870 1.00 0.55 C ATOM 127 CG ASP A 34 -10.924 -1.901 0.152 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.613 -1.701 1.339 1.00 0.88 O ATOM 129 OD2 ASP A 34 -11.466 -2.957 -0.227 1.00 1.15 O ATOM 0 H ASP A 34 -8.408 -2.028 -0.833 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.307 0.633 -1.585 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.464 -0.036 -0.731 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.845 -1.218 -1.867 1.00 0.55 H new ATOM 134 N GLY A 35 -9.666 1.721 0.684 1.00 0.67 N ATOM 135 CA GLY A 35 -9.526 2.479 1.913 1.00 0.84 C ATOM 136 C GLY A 35 -10.451 1.970 2.998 1.00 0.85 C ATOM 137 O GLY A 35 -10.671 2.632 4.013 1.00 1.20 O ATOM 0 H GLY A 35 -10.238 2.172 -0.030 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -8.494 2.422 2.259 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -9.739 3.530 1.718 1.00 0.84 H new ATOM 141 N ASP A 36 -10.988 0.787 2.775 1.00 0.69 N ATOM 142 CA ASP A 36 -11.909 0.165 3.704 1.00 0.83 C ATOM 143 C ASP A 36 -11.176 -0.886 4.527 1.00 0.83 C ATOM 144 O ASP A 36 -11.561 -1.193 5.656 1.00 1.10 O ATOM 145 CB ASP A 36 -13.068 -0.457 2.926 1.00 0.89 C ATOM 146 CG ASP A 36 -14.162 -1.011 3.816 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.616 -2.152 3.586 1.00 1.81 O ATOM 148 OD2 ASP A 36 -14.551 -0.312 4.775 1.00 1.77 O ATOM 0 H ASP A 36 -10.797 0.229 1.943 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.311 0.913 4.387 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.496 0.295 2.263 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.683 -1.258 2.294 1.00 0.89 H new ATOM 153 N GLY A 37 -10.107 -1.425 3.956 1.00 0.67 N ATOM 154 CA GLY A 37 -9.252 -2.335 4.691 1.00 0.81 C ATOM 155 C GLY A 37 -9.030 -3.658 3.983 1.00 0.78 C ATOM 156 O GLY A 37 -8.810 -4.681 4.633 1.00 1.05 O ATOM 0 H GLY A 37 -9.817 -1.247 2.994 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -8.288 -1.857 4.863 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -9.692 -2.525 5.670 1.00 0.81 H new ATOM 160 N ASN A 38 -9.084 -3.654 2.655 1.00 0.61 N ATOM 161 CA ASN A 38 -8.876 -4.876 1.885 1.00 0.73 C ATOM 162 C ASN A 38 -7.921 -4.638 0.727 1.00 0.57 C ATOM 163 O ASN A 38 -7.947 -3.585 0.091 1.00 0.49 O ATOM 164 CB ASN A 38 -10.197 -5.403 1.322 1.00 0.95 C ATOM 165 CG ASN A 38 -11.268 -5.574 2.377 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.383 -6.628 3.002 1.00 1.57 O ATOM 167 ND2 ASN A 38 -12.064 -4.538 2.576 1.00 1.38 N ATOM 0 H ASN A 38 -9.269 -2.824 2.092 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.448 -5.611 2.567 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.557 -4.717 0.555 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.020 -6.362 0.834 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.809 -4.593 3.270 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.933 -3.683 2.035 1.00 1.38 H new ATOM 174 N ILE A 39 -7.074 -5.622 0.455 1.00 0.65 N ATOM 175 CA ILE A 39 -6.232 -5.596 -0.725 1.00 0.57 C ATOM 176 C ILE A 39 -7.000 -6.206 -1.896 1.00 0.59 C ATOM 177 O ILE A 39 -7.612 -7.266 -1.755 1.00 0.77 O ATOM 178 CB ILE A 39 -5.093 -6.249 -0.519 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.269 -5.555 0.563 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.281 -6.365 -1.809 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.994 -6.280 0.926 1.00 1.18 C ATOM 0 H ILE A 39 -6.955 -6.449 1.040 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.974 -4.562 -0.955 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.340 -7.256 -0.183 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.019 -4.549 0.225 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -4.881 -5.448 1.458 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.355 -6.904 -1.609 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.861 -6.906 -2.557 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.047 -5.368 -2.183 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.467 -5.723 1.701 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.235 -7.277 1.296 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -2.359 -6.364 0.044 1.00 1.18 H new ATOM 193 N LEU A 40 -7.010 -5.517 -3.029 1.00 0.51 N ATOM 194 CA LEU A 40 -7.861 -5.916 -4.145 1.00 0.61 C ATOM 195 C LEU A 40 -7.052 -6.501 -5.297 1.00 0.60 C ATOM 196 O LEU A 40 -7.377 -7.576 -5.811 1.00 0.72 O ATOM 197 CB LEU A 40 -8.680 -4.721 -4.635 1.00 0.66 C ATOM 198 CG LEU A 40 -9.515 -4.023 -3.561 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.290 -2.862 -4.165 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.463 -5.010 -2.896 1.00 1.54 C ATOM 0 H LEU A 40 -6.444 -4.686 -3.201 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.532 -6.695 -3.784 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.001 -3.991 -5.077 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -9.346 -5.058 -5.429 1.00 0.66 H new ATOM 0 HG LEU A 40 -8.841 -3.630 -2.800 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.880 -2.375 -3.388 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -9.592 -2.143 -4.595 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -10.954 -3.234 -4.945 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.049 -4.495 -2.135 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -11.133 -5.432 -3.645 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.887 -5.811 -2.431 1.00 1.54 H new ATOM 212 N GLN A 41 -6.004 -5.798 -5.710 1.00 0.50 N ATOM 213 CA GLN A 41 -5.199 -6.246 -6.843 1.00 0.55 C ATOM 214 C GLN A 41 -3.716 -5.975 -6.618 1.00 0.46 C ATOM 215 O GLN A 41 -3.317 -4.853 -6.306 1.00 0.46 O ATOM 216 CB GLN A 41 -5.659 -5.565 -8.134 1.00 0.67 C ATOM 217 CG GLN A 41 -4.953 -6.082 -9.380 1.00 1.08 C ATOM 218 CD GLN A 41 -5.353 -5.342 -10.643 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.359 -5.909 -11.734 1.00 2.41 O ATOM 220 NE2 GLN A 41 -5.679 -4.067 -10.510 1.00 2.37 N ATOM 0 H GLN A 41 -5.693 -4.925 -5.284 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.339 -7.323 -6.936 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.733 -5.710 -8.249 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.489 -4.492 -8.049 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.875 -5.995 -9.242 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.175 -7.142 -9.502 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -5.663 -3.630 -9.589 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -5.947 -3.521 -11.329 1.00 2.37 H new ATOM 229 N TYR A 42 -2.909 -7.007 -6.803 1.00 0.57 N ATOM 230 CA TYR A 42 -1.470 -6.913 -6.620 1.00 0.58 C ATOM 231 C TYR A 42 -0.751 -7.100 -7.957 1.00 0.65 C ATOM 232 O TYR A 42 -0.980 -8.086 -8.658 1.00 0.79 O ATOM 233 CB TYR A 42 -1.035 -7.966 -5.590 1.00 0.71 C ATOM 234 CG TYR A 42 0.449 -8.248 -5.535 1.00 0.82 C ATOM 235 CD1 TYR A 42 0.923 -9.532 -5.770 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.371 -7.249 -5.248 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.270 -9.818 -5.714 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.726 -7.529 -5.194 1.00 1.02 C ATOM 239 CZ TYR A 42 3.168 -8.816 -5.430 1.00 1.21 C ATOM 240 OH TYR A 42 4.511 -9.105 -5.375 1.00 1.42 O ATOM 0 H TYR A 42 -3.233 -7.933 -7.084 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.202 -5.925 -6.247 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.362 -7.640 -4.603 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.557 -8.898 -5.807 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.223 -10.321 -6.001 1.00 1.09 H new ATOM 0 HD2 TYR A 42 1.027 -6.242 -5.065 1.00 0.82 H new ATOM 0 HE1 TYR A 42 2.619 -10.824 -5.892 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.434 -6.745 -4.968 1.00 1.02 H new ATOM 0 HH TYR A 42 5.003 -8.316 -5.066 1.00 1.42 H new ATOM 250 N ASN A 43 0.096 -6.140 -8.321 1.00 0.63 N ATOM 251 CA ASN A 43 0.797 -6.187 -9.604 1.00 0.75 C ATOM 252 C ASN A 43 2.296 -6.013 -9.397 1.00 0.92 C ATOM 253 O ASN A 43 2.775 -4.903 -9.155 1.00 1.02 O ATOM 254 CB ASN A 43 0.312 -5.084 -10.552 1.00 0.78 C ATOM 255 CG ASN A 43 -1.194 -4.920 -10.584 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.893 -5.593 -11.341 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.699 -4.001 -9.771 1.00 0.88 N ATOM 0 H ASN A 43 0.314 -5.324 -7.750 1.00 0.63 H new ATOM 0 HA ASN A 43 0.585 -7.160 -10.047 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.764 -4.138 -10.254 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.665 -5.303 -11.560 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.704 -3.829 -9.757 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -1.082 -3.466 -9.160 1.00 0.88 H new ATOM 264 N ALA A 44 3.032 -7.110 -9.469 1.00 1.13 N ATOM 265 CA ALA A 44 4.485 -7.060 -9.380 1.00 1.36 C ATOM 266 C ALA A 44 5.113 -8.237 -10.106 1.00 1.78 C ATOM 267 O ALA A 44 4.432 -9.212 -10.426 1.00 2.50 O ATOM 268 CB ALA A 44 4.932 -7.037 -7.928 1.00 2.05 C ATOM 0 H ALA A 44 2.648 -8.047 -9.589 1.00 1.13 H new ATOM 0 HA ALA A 44 4.820 -6.142 -9.862 1.00 1.36 H new ATOM 0 HB1 ALA A 44 6.020 -7.000 -7.883 1.00 2.05 H new ATOM 0 HB2 ALA A 44 4.518 -6.158 -7.434 1.00 2.05 H new ATOM 0 HB3 ALA A 44 4.579 -7.937 -7.424 1.00 2.05 H new ATOM 274 N ALA A 45 6.407 -8.135 -10.370 1.00 2.22 N ATOM 275 CA ALA A 45 7.139 -9.200 -11.030 1.00 3.09 C ATOM 276 C ALA A 45 7.398 -10.355 -10.074 1.00 3.52 C ATOM 277 O ALA A 45 8.273 -10.279 -9.208 1.00 3.90 O ATOM 278 CB ALA A 45 8.452 -8.679 -11.591 1.00 4.00 C ATOM 0 H ALA A 45 6.973 -7.319 -10.135 1.00 2.22 H new ATOM 0 HA ALA A 45 6.527 -9.567 -11.854 1.00 3.09 H new ATOM 0 HB1 ALA A 45 8.986 -9.492 -12.082 1.00 4.00 H new ATOM 0 HB2 ALA A 45 8.251 -7.889 -12.314 1.00 4.00 H new ATOM 0 HB3 ALA A 45 9.062 -8.282 -10.780 1.00 4.00 H new ATOM 284 N GLU A 46 6.617 -11.410 -10.223 1.00 4.02 N ATOM 285 CA GLU A 46 6.802 -12.616 -9.436 1.00 4.87 C ATOM 286 C GLU A 46 7.268 -13.754 -10.341 1.00 5.45 C ATOM 287 O GLU A 46 6.469 -14.539 -10.848 1.00 5.90 O ATOM 288 CB GLU A 46 5.517 -12.980 -8.673 1.00 5.61 C ATOM 289 CG GLU A 46 4.250 -12.943 -9.519 1.00 5.96 C ATOM 290 CD GLU A 46 2.996 -13.193 -8.706 1.00 6.73 C ATOM 291 OE1 GLU A 46 2.467 -12.236 -8.102 1.00 7.09 O ATOM 292 OE2 GLU A 46 2.530 -14.352 -8.667 1.00 7.21 O ATOM 0 H GLU A 46 5.844 -11.456 -10.886 1.00 4.02 H new ATOM 0 HA GLU A 46 7.573 -12.438 -8.687 1.00 4.87 H new ATOM 0 HB2 GLU A 46 5.629 -13.979 -8.253 1.00 5.61 H new ATOM 0 HB3 GLU A 46 5.400 -12.293 -7.835 1.00 5.61 H new ATOM 0 HG2 GLU A 46 4.173 -11.972 -10.008 1.00 5.96 H new ATOM 0 HG3 GLU A 46 4.322 -13.692 -10.307 1.00 5.96 H new ATOM 299 N GLY A 47 8.572 -13.802 -10.572 1.00 5.76 N ATOM 300 CA GLY A 47 9.134 -14.797 -11.462 1.00 6.54 C ATOM 301 C GLY A 47 9.719 -15.971 -10.710 1.00 6.69 C ATOM 302 O GLY A 47 9.803 -17.079 -11.242 1.00 6.97 O ATOM 0 H GLY A 47 9.253 -13.167 -10.157 1.00 5.76 H new ATOM 0 HA2 GLY A 47 8.360 -15.153 -12.142 1.00 6.54 H new ATOM 0 HA3 GLY A 47 9.910 -14.337 -12.075 1.00 6.54 H new ATOM 306 N ASP A 48 10.131 -15.731 -9.475 1.00 6.81 N ATOM 307 CA ASP A 48 10.650 -16.795 -8.634 1.00 7.22 C ATOM 308 C ASP A 48 9.536 -17.326 -7.741 1.00 7.49 C ATOM 309 O ASP A 48 9.020 -16.626 -6.870 1.00 7.74 O ATOM 310 CB ASP A 48 11.862 -16.322 -7.815 1.00 7.72 C ATOM 311 CG ASP A 48 11.545 -15.234 -6.806 1.00 8.18 C ATOM 312 OD1 ASP A 48 11.817 -15.425 -5.602 1.00 8.38 O ATOM 313 OD2 ASP A 48 10.977 -14.195 -7.211 1.00 8.59 O ATOM 0 H ASP A 48 10.116 -14.811 -9.035 1.00 6.81 H new ATOM 0 HA ASP A 48 11.003 -17.608 -9.268 1.00 7.22 H new ATOM 0 HB2 ASP A 48 12.287 -17.177 -7.289 1.00 7.72 H new ATOM 0 HB3 ASP A 48 12.628 -15.956 -8.499 1.00 7.72 H new ATOM 318 N ILE A 49 9.146 -18.564 -7.996 1.00 7.75 N ATOM 319 CA ILE A 49 7.998 -19.164 -7.329 1.00 8.31 C ATOM 320 C ILE A 49 8.393 -20.403 -6.531 1.00 8.64 C ATOM 321 O ILE A 49 7.782 -20.698 -5.509 1.00 9.15 O ATOM 322 CB ILE A 49 7.051 -19.488 -8.201 1.00 8.70 C ATOM 323 CG1 ILE A 49 7.619 -20.268 -9.396 1.00 8.59 C ATOM 324 CG2 ILE A 49 6.314 -18.233 -8.663 1.00 9.24 C ATOM 325 CD1 ILE A 49 6.572 -20.694 -10.405 1.00 9.12 C ATOM 0 H ILE A 49 9.610 -19.178 -8.665 1.00 7.75 H new ATOM 0 HA ILE A 49 7.610 -18.414 -6.640 1.00 8.31 H new ATOM 0 HB ILE A 49 6.342 -20.147 -7.701 1.00 8.70 H new ATOM 0 HG12 ILE A 49 8.364 -19.651 -9.899 1.00 8.59 H new ATOM 0 HG13 ILE A 49 8.135 -21.154 -9.027 1.00 8.59 H new ATOM 0 HG21 ILE A 49 5.539 -18.509 -9.378 1.00 9.24 H new ATOM 0 HG22 ILE A 49 5.857 -17.742 -7.804 1.00 9.24 H new ATOM 0 HG23 ILE A 49 7.019 -17.551 -9.137 1.00 9.24 H new ATOM 0 HD11 ILE A 49 7.051 -21.239 -11.218 1.00 9.12 H new ATOM 0 HD12 ILE A 49 5.839 -21.338 -9.919 1.00 9.12 H new ATOM 0 HD13 ILE A 49 6.072 -19.812 -10.805 1.00 9.12 H new ATOM 337 N THR A 50 9.448 -21.082 -6.972 1.00 8.56 N ATOM 338 CA THR A 50 9.920 -22.306 -6.336 1.00 9.03 C ATOM 339 C THR A 50 10.323 -22.066 -4.875 1.00 9.23 C ATOM 340 O THR A 50 11.457 -21.677 -4.578 1.00 9.50 O ATOM 341 CB THR A 50 10.948 -22.781 -7.006 1.00 9.31 C ATOM 342 OG1 THR A 50 10.678 -22.674 -8.414 1.00 9.41 O ATOM 343 CG2 THR A 50 11.225 -24.232 -6.652 1.00 9.82 C ATOM 0 H THR A 50 10.000 -20.798 -7.781 1.00 8.56 H new ATOM 0 HA THR A 50 9.102 -23.027 -6.344 1.00 9.03 H new ATOM 0 HB THR A 50 11.830 -22.198 -6.740 1.00 9.31 H new ATOM 0 HG1 THR A 50 11.440 -23.024 -8.921 1.00 9.41 H new ATOM 0 HG21 THR A 50 12.081 -24.589 -7.225 1.00 9.82 H new ATOM 0 HG22 THR A 50 11.443 -24.311 -5.587 1.00 9.82 H new ATOM 0 HG23 THR A 50 10.351 -24.838 -6.890 1.00 9.82 H new ATOM 351 N GLY A 51 9.392 -22.326 -3.966 1.00 9.30 N ATOM 352 CA GLY A 51 9.647 -22.130 -2.551 1.00 9.62 C ATOM 353 C GLY A 51 9.233 -20.752 -2.081 1.00 9.32 C ATOM 354 O GLY A 51 9.442 -20.388 -0.924 1.00 9.37 O ATOM 0 H GLY A 51 8.458 -22.672 -4.185 1.00 9.30 H new ATOM 0 HA2 GLY A 51 9.108 -22.885 -1.978 1.00 9.62 H new ATOM 0 HA3 GLY A 51 10.708 -22.277 -2.351 1.00 9.62 H new ATOM 358 N ARG A 52 8.634 -19.986 -2.981 1.00 9.21 N ATOM 359 CA ARG A 52 8.232 -18.620 -2.681 1.00 9.00 C ATOM 360 C ARG A 52 6.718 -18.517 -2.589 1.00 8.48 C ATOM 361 O ARG A 52 5.996 -19.346 -3.144 1.00 8.73 O ATOM 362 CB ARG A 52 8.732 -17.666 -3.767 1.00 9.54 C ATOM 363 CG ARG A 52 10.238 -17.668 -3.955 1.00 10.23 C ATOM 364 CD ARG A 52 10.964 -17.151 -2.724 1.00 10.92 C ATOM 365 NE ARG A 52 12.377 -16.913 -2.998 1.00 11.43 N ATOM 366 CZ ARG A 52 13.366 -17.212 -2.158 1.00 12.12 C ATOM 367 NH1 ARG A 52 13.101 -17.758 -0.977 1.00 12.40 N ATOM 368 NH2 ARG A 52 14.623 -16.958 -2.502 1.00 12.72 N ATOM 0 H ARG A 52 8.415 -20.290 -3.930 1.00 9.21 H new ATOM 0 HA ARG A 52 8.672 -18.343 -1.723 1.00 9.00 H new ATOM 0 HB2 ARG A 52 8.259 -17.931 -4.713 1.00 9.54 H new ATOM 0 HB3 ARG A 52 8.410 -16.654 -3.522 1.00 9.54 H new ATOM 0 HG2 ARG A 52 10.575 -18.681 -4.176 1.00 10.23 H new ATOM 0 HG3 ARG A 52 10.497 -17.051 -4.815 1.00 10.23 H new ATOM 0 HD2 ARG A 52 10.497 -16.226 -2.386 1.00 10.92 H new ATOM 0 HD3 ARG A 52 10.866 -17.872 -1.913 1.00 10.92 H new ATOM 0 HE ARG A 52 12.624 -16.489 -3.892 1.00 11.43 H new ATOM 0 HH11 ARG A 52 12.136 -17.951 -0.709 1.00 12.40 H new ATOM 0 HH12 ARG A 52 13.863 -17.985 -0.338 1.00 12.40 H new ATOM 0 HH21 ARG A 52 14.829 -16.535 -3.407 1.00 12.72 H new ATOM 0 HH22 ARG A 52 15.383 -17.186 -1.861 1.00 12.72 H new ATOM 382 N ASP A 53 6.247 -17.497 -1.888 1.00 7.97 N ATOM 383 CA ASP A 53 4.822 -17.207 -1.821 1.00 7.57 C ATOM 384 C ASP A 53 4.569 -15.746 -2.164 1.00 7.11 C ATOM 385 O ASP A 53 4.749 -14.862 -1.325 1.00 6.96 O ATOM 386 CB ASP A 53 4.249 -17.532 -0.441 1.00 7.63 C ATOM 387 CG ASP A 53 3.845 -18.986 -0.311 1.00 7.90 C ATOM 388 OD1 ASP A 53 4.643 -19.776 0.237 1.00 8.01 O ATOM 389 OD2 ASP A 53 2.733 -19.349 -0.762 1.00 8.24 O ATOM 0 H ASP A 53 6.833 -16.854 -1.356 1.00 7.97 H new ATOM 0 HA ASP A 53 4.316 -17.840 -2.550 1.00 7.57 H new ATOM 0 HB2 ASP A 53 4.990 -17.294 0.322 1.00 7.63 H new ATOM 0 HB3 ASP A 53 3.382 -16.899 -0.252 1.00 7.63 H new ATOM 394 N PRO A 54 4.172 -15.477 -3.417 1.00 7.19 N ATOM 395 CA PRO A 54 3.914 -14.115 -3.906 1.00 7.04 C ATOM 396 C PRO A 54 2.787 -13.423 -3.143 1.00 6.40 C ATOM 397 O PRO A 54 2.704 -12.192 -3.115 1.00 6.42 O ATOM 398 CB PRO A 54 3.519 -14.324 -5.374 1.00 7.72 C ATOM 399 CG PRO A 54 4.039 -15.675 -5.727 1.00 8.11 C ATOM 400 CD PRO A 54 3.955 -16.484 -4.468 1.00 7.77 C ATOM 0 HA PRO A 54 4.782 -13.470 -3.774 1.00 7.04 H new ATOM 0 HB2 PRO A 54 2.438 -14.272 -5.503 1.00 7.72 H new ATOM 0 HB3 PRO A 54 3.954 -13.555 -6.013 1.00 7.72 H new ATOM 0 HG2 PRO A 54 3.447 -16.127 -6.523 1.00 8.11 H new ATOM 0 HG3 PRO A 54 5.066 -15.617 -6.087 1.00 8.11 H new ATOM 0 HD2 PRO A 54 2.986 -16.973 -4.366 1.00 7.77 H new ATOM 0 HD3 PRO A 54 4.712 -17.268 -4.440 1.00 7.77 H new ATOM 408 N LYS A 55 1.922 -14.214 -2.517 1.00 6.12 N ATOM 409 CA LYS A 55 0.830 -13.665 -1.723 1.00 5.80 C ATOM 410 C LYS A 55 1.343 -13.192 -0.360 1.00 5.33 C ATOM 411 O LYS A 55 1.116 -13.822 0.676 1.00 5.67 O ATOM 412 CB LYS A 55 -0.310 -14.684 -1.575 1.00 6.46 C ATOM 413 CG LYS A 55 0.121 -16.037 -1.024 1.00 7.19 C ATOM 414 CD LYS A 55 -0.992 -17.063 -1.138 1.00 8.01 C ATOM 415 CE LYS A 55 -2.205 -16.679 -0.306 1.00 8.64 C ATOM 416 NZ LYS A 55 -3.333 -17.623 -0.510 1.00 9.24 N ATOM 0 H LYS A 55 1.956 -15.233 -2.544 1.00 6.12 H new ATOM 0 HA LYS A 55 0.425 -12.799 -2.246 1.00 5.80 H new ATOM 0 HB2 LYS A 55 -1.073 -14.265 -0.919 1.00 6.46 H new ATOM 0 HB3 LYS A 55 -0.775 -14.834 -2.549 1.00 6.46 H new ATOM 0 HG2 LYS A 55 0.999 -16.389 -1.566 1.00 7.19 H new ATOM 0 HG3 LYS A 55 0.413 -15.930 0.021 1.00 7.19 H new ATOM 0 HD2 LYS A 55 -1.286 -17.165 -2.183 1.00 8.01 H new ATOM 0 HD3 LYS A 55 -0.623 -18.036 -0.814 1.00 8.01 H new ATOM 0 HE2 LYS A 55 -1.932 -16.661 0.749 1.00 8.64 H new ATOM 0 HE3 LYS A 55 -2.523 -15.670 -0.570 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 -4.142 -17.329 0.074 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 -3.610 -17.621 -1.512 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 -3.038 -18.581 -0.234 1.00 9.24 H new ATOM 430 N GLN A 56 2.075 -12.090 -0.384 1.00 4.97 N ATOM 431 CA GLN A 56 2.612 -11.485 0.827 1.00 4.93 C ATOM 432 C GLN A 56 1.938 -10.142 1.092 1.00 4.31 C ATOM 433 O GLN A 56 1.439 -9.893 2.185 1.00 4.54 O ATOM 434 CB GLN A 56 4.140 -11.328 0.724 1.00 5.58 C ATOM 435 CG GLN A 56 4.620 -10.676 -0.565 1.00 6.20 C ATOM 436 CD GLN A 56 6.131 -10.647 -0.677 1.00 6.94 C ATOM 437 OE1 GLN A 56 6.842 -10.566 0.325 1.00 7.39 O ATOM 438 NE2 GLN A 56 6.634 -10.723 -1.898 1.00 7.40 N ATOM 0 H GLN A 56 2.314 -11.590 -1.240 1.00 4.97 H new ATOM 0 HA GLN A 56 2.400 -12.144 1.669 1.00 4.93 H new ATOM 0 HB2 GLN A 56 4.490 -10.735 1.569 1.00 5.58 H new ATOM 0 HB3 GLN A 56 4.601 -12.312 0.813 1.00 5.58 H new ATOM 0 HG2 GLN A 56 4.207 -11.216 -1.417 1.00 6.20 H new ATOM 0 HG3 GLN A 56 4.236 -9.657 -0.617 1.00 6.20 H new ATOM 0 HE21 GLN A 56 6.011 -10.789 -2.703 1.00 7.40 H new ATOM 0 HE22 GLN A 56 7.645 -10.716 -2.035 1.00 7.40 H new ATOM 447 N VAL A 57 1.888 -9.296 0.073 1.00 3.91 N ATOM 448 CA VAL A 57 1.244 -7.992 0.197 1.00 3.65 C ATOM 449 C VAL A 57 -0.156 -8.023 -0.416 1.00 2.70 C ATOM 450 O VAL A 57 -0.544 -7.150 -1.195 1.00 3.03 O ATOM 451 CB VAL A 57 1.962 -7.014 -0.343 1.00 4.38 C ATOM 452 CG1 VAL A 57 3.171 -6.707 0.529 1.00 5.06 C ATOM 453 CG2 VAL A 57 2.409 -7.338 -1.764 1.00 4.94 C ATOM 0 H VAL A 57 2.284 -9.487 -0.847 1.00 3.91 H new ATOM 0 HA VAL A 57 1.165 -7.780 1.263 1.00 3.65 H new ATOM 0 HB VAL A 57 1.319 -6.136 -0.399 1.00 4.38 H new ATOM 0 HG11 VAL A 57 3.752 -5.904 0.076 1.00 5.06 H new ATOM 0 HG12 VAL A 57 2.836 -6.399 1.519 1.00 5.06 H new ATOM 0 HG13 VAL A 57 3.792 -7.599 0.617 1.00 5.06 H new ATOM 0 HG21 VAL A 57 2.992 -6.507 -2.160 1.00 4.94 H new ATOM 0 HG22 VAL A 57 3.021 -8.240 -1.756 1.00 4.94 H new ATOM 0 HG23 VAL A 57 1.534 -7.499 -2.393 1.00 4.94 H new ATOM 463 N ILE A 58 -0.902 -9.052 -0.051 1.00 2.02 N ATOM 464 CA ILE A 58 -2.255 -9.260 -0.537 1.00 1.38 C ATOM 465 C ILE A 58 -2.959 -10.269 0.366 1.00 1.46 C ATOM 466 O ILE A 58 -2.303 -11.013 1.098 1.00 1.83 O ATOM 467 CB ILE A 58 -2.256 -9.649 -1.817 1.00 1.94 C ATOM 468 CG1 ILE A 58 -3.673 -9.741 -2.397 1.00 2.47 C ATOM 469 CG2 ILE A 58 -1.516 -10.973 -1.987 1.00 2.66 C ATOM 470 CD1 ILE A 58 -3.718 -10.119 -3.866 1.00 3.17 C ATOM 0 H ILE A 58 -0.583 -9.772 0.597 1.00 2.02 H new ATOM 0 HA ILE A 58 -2.802 -8.318 -0.501 1.00 1.38 H new ATOM 0 HB ILE A 58 -1.727 -8.881 -2.381 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -4.241 -10.476 -1.826 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -4.171 -8.781 -2.265 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -1.532 -11.266 -3.037 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -0.483 -10.857 -1.658 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -2.004 -11.742 -1.388 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -4.755 -10.163 -4.199 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -3.180 -9.372 -4.450 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -3.251 -11.094 -4.005 1.00 3.17 H new ATOM 482 N GLY A 59 -4.277 -10.222 0.389 1.00 1.92 N ATOM 483 CA GLY A 59 -5.035 -11.122 1.230 1.00 2.81 C ATOM 484 C GLY A 59 -5.540 -10.437 2.480 1.00 2.70 C ATOM 485 O GLY A 59 -5.979 -11.092 3.425 1.00 3.24 O ATOM 0 H GLY A 59 -4.840 -9.574 -0.162 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -5.880 -11.519 0.667 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -4.410 -11.971 1.509 1.00 2.81 H new ATOM 489 N LYS A 60 -5.467 -9.113 2.487 1.00 2.08 N ATOM 490 CA LYS A 60 -5.955 -8.328 3.606 1.00 2.08 C ATOM 491 C LYS A 60 -7.472 -8.226 3.537 1.00 2.02 C ATOM 492 O LYS A 60 -8.022 -7.717 2.562 1.00 1.74 O ATOM 493 CB LYS A 60 -5.319 -6.935 3.591 1.00 1.96 C ATOM 494 CG LYS A 60 -5.907 -5.960 4.607 1.00 2.22 C ATOM 495 CD LYS A 60 -5.704 -6.428 6.040 1.00 2.80 C ATOM 496 CE LYS A 60 -4.244 -6.368 6.459 1.00 3.43 C ATOM 497 NZ LYS A 60 -4.057 -6.840 7.857 1.00 3.85 N ATOM 0 H LYS A 60 -5.072 -8.561 1.726 1.00 2.08 H new ATOM 0 HA LYS A 60 -5.678 -8.820 4.538 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -4.250 -7.035 3.779 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -5.428 -6.510 2.593 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -5.445 -4.981 4.478 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -6.973 -5.837 4.415 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -6.299 -5.809 6.711 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -6.069 -7.450 6.142 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -3.646 -6.980 5.784 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -3.880 -5.345 6.368 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -3.050 -6.786 8.110 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -4.609 -6.240 8.503 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -4.381 -7.825 7.937 1.00 3.85 H new ATOM 511 N ASN A 61 -8.132 -8.733 4.564 1.00 2.50 N ATOM 512 CA ASN A 61 -9.583 -8.717 4.629 1.00 2.76 C ATOM 513 C ASN A 61 -10.043 -8.185 5.982 1.00 3.11 C ATOM 514 O ASN A 61 -10.051 -8.911 6.982 1.00 3.53 O ATOM 515 CB ASN A 61 -10.139 -10.123 4.388 1.00 3.24 C ATOM 516 CG ASN A 61 -11.640 -10.209 4.596 1.00 3.68 C ATOM 517 OD1 ASN A 61 -12.377 -9.256 4.351 1.00 4.05 O ATOM 518 ND2 ASN A 61 -12.101 -11.360 5.057 1.00 4.18 N ATOM 0 H ASN A 61 -7.681 -9.164 5.371 1.00 2.50 H new ATOM 0 HA ASN A 61 -9.963 -8.057 3.850 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -9.900 -10.433 3.371 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -9.644 -10.824 5.060 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -13.101 -11.480 5.221 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -11.457 -12.128 5.248 1.00 4.18 H new ATOM 525 N PHE A 62 -10.391 -6.907 6.012 1.00 3.09 N ATOM 526 CA PHE A 62 -10.847 -6.264 7.230 1.00 3.55 C ATOM 527 C PHE A 62 -12.126 -5.483 6.959 1.00 4.05 C ATOM 528 O PHE A 62 -12.127 -4.516 6.197 1.00 4.38 O ATOM 529 CB PHE A 62 -9.758 -5.337 7.789 1.00 4.05 C ATOM 530 CG PHE A 62 -10.142 -4.648 9.071 1.00 4.80 C ATOM 531 CD1 PHE A 62 -10.595 -3.340 9.058 1.00 5.37 C ATOM 532 CD2 PHE A 62 -10.054 -5.314 10.282 1.00 5.28 C ATOM 533 CE1 PHE A 62 -10.954 -2.707 10.231 1.00 6.27 C ATOM 534 CE2 PHE A 62 -10.409 -4.687 11.460 1.00 6.21 C ATOM 535 CZ PHE A 62 -10.840 -3.375 11.437 1.00 6.66 C ATOM 0 H PHE A 62 -10.365 -6.293 5.198 1.00 3.09 H new ATOM 0 HA PHE A 62 -11.056 -7.032 7.975 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -8.852 -5.918 7.958 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -9.518 -4.582 7.040 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -10.668 -2.809 8.120 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -9.704 -6.335 10.305 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -11.323 -1.692 10.207 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -10.350 -5.221 12.397 1.00 6.21 H new ATOM 0 HZ PHE A 62 -11.088 -2.871 12.360 1.00 6.66 H new ATOM 545 N PHE A 63 -13.217 -5.916 7.568 1.00 4.57 N ATOM 546 CA PHE A 63 -14.493 -5.240 7.401 1.00 5.42 C ATOM 547 C PHE A 63 -14.730 -4.291 8.569 1.00 5.92 C ATOM 548 O PHE A 63 -14.886 -3.082 8.390 1.00 6.42 O ATOM 549 CB PHE A 63 -15.620 -6.272 7.303 1.00 6.08 C ATOM 550 CG PHE A 63 -16.932 -5.701 6.843 1.00 6.58 C ATOM 551 CD1 PHE A 63 -17.869 -5.261 7.765 1.00 7.21 C ATOM 552 CD2 PHE A 63 -17.225 -5.595 5.495 1.00 6.73 C ATOM 553 CE1 PHE A 63 -19.074 -4.732 7.350 1.00 7.98 C ATOM 554 CE2 PHE A 63 -18.429 -5.068 5.075 1.00 7.51 C ATOM 555 CZ PHE A 63 -19.358 -4.654 5.986 1.00 8.13 C ATOM 0 H PHE A 63 -13.245 -6.731 8.181 1.00 4.57 H new ATOM 0 HA PHE A 63 -14.477 -4.658 6.479 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -15.317 -7.061 6.615 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -15.760 -6.736 8.279 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -17.653 -5.333 8.821 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -16.504 -5.928 4.764 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -19.792 -4.381 8.076 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -18.638 -4.982 4.019 1.00 7.51 H new ATOM 0 HZ PHE A 63 -20.310 -4.267 5.652 1.00 8.13 H new ATOM 565 N LYS A 64 -14.737 -4.854 9.765 1.00 6.06 N ATOM 566 CA LYS A 64 -14.895 -4.087 10.989 1.00 6.71 C ATOM 567 C LYS A 64 -14.260 -4.851 12.142 1.00 6.68 C ATOM 568 O LYS A 64 -13.938 -6.029 11.998 1.00 6.92 O ATOM 569 CB LYS A 64 -16.377 -3.823 11.279 1.00 7.46 C ATOM 570 CG LYS A 64 -17.223 -5.085 11.310 1.00 8.15 C ATOM 571 CD LYS A 64 -18.652 -4.794 11.727 1.00 8.91 C ATOM 572 CE LYS A 64 -19.502 -6.053 11.703 1.00 9.51 C ATOM 573 NZ LYS A 64 -18.892 -7.151 12.501 1.00 10.05 N ATOM 0 H LYS A 64 -14.633 -5.858 9.915 1.00 6.06 H new ATOM 0 HA LYS A 64 -14.400 -3.123 10.872 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -16.466 -3.312 12.238 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -16.773 -3.148 10.520 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -17.219 -5.550 10.324 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -16.781 -5.802 12.002 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -18.660 -4.366 12.729 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -19.083 -4.049 11.059 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -20.494 -5.828 12.094 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -19.633 -6.383 10.672 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -19.592 -7.907 12.643 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -18.069 -7.533 11.993 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -18.589 -6.782 13.425 1.00 10.05 H new ATOM 587 N ASP A 65 -14.072 -4.191 13.270 1.00 6.69 N ATOM 588 CA ASP A 65 -13.454 -4.832 14.423 1.00 6.98 C ATOM 589 C ASP A 65 -14.402 -4.830 15.613 1.00 7.54 C ATOM 590 O ASP A 65 -15.494 -4.255 15.553 1.00 7.94 O ATOM 591 CB ASP A 65 -12.150 -4.128 14.809 1.00 7.04 C ATOM 592 CG ASP A 65 -12.381 -2.857 15.603 1.00 7.56 C ATOM 593 OD1 ASP A 65 -12.371 -2.926 16.850 1.00 7.91 O ATOM 594 OD2 ASP A 65 -12.575 -1.786 14.988 1.00 7.87 O ATOM 0 H ASP A 65 -14.336 -3.216 13.415 1.00 6.69 H new ATOM 0 HA ASP A 65 -13.230 -5.862 14.146 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -11.534 -4.810 15.395 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -11.590 -3.889 13.905 1.00 7.04 H new ATOM 599 N VAL A 66 -13.980 -5.484 16.685 1.00 7.81 N ATOM 600 CA VAL A 66 -14.742 -5.513 17.918 1.00 8.51 C ATOM 601 C VAL A 66 -13.779 -5.616 19.121 1.00 8.76 C ATOM 602 O VAL A 66 -14.030 -6.299 20.123 1.00 9.29 O ATOM 603 CB VAL A 66 -15.638 -6.504 17.890 1.00 8.83 C ATOM 604 CG1 VAL A 66 -14.968 -7.878 17.883 1.00 9.35 C ATOM 605 CG2 VAL A 66 -16.662 -6.378 19.010 1.00 8.99 C ATOM 0 H VAL A 66 -13.104 -6.006 16.722 1.00 7.81 H new ATOM 0 HA VAL A 66 -15.305 -4.586 18.027 1.00 8.51 H new ATOM 0 HB VAL A 66 -16.183 -6.411 16.951 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -15.732 -8.655 17.860 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -14.332 -7.968 17.002 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -14.362 -7.992 18.782 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -17.371 -7.204 18.950 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -16.153 -6.407 19.973 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -17.196 -5.433 18.910 1.00 8.99 H new ATOM 615 N ALA A 67 -12.654 -4.918 19.006 1.00 8.55 N ATOM 616 CA ALA A 67 -11.609 -4.978 20.021 1.00 8.92 C ATOM 617 C ALA A 67 -10.942 -3.618 20.206 1.00 9.09 C ATOM 618 O ALA A 67 -10.775 -2.867 19.247 1.00 9.14 O ATOM 619 CB ALA A 67 -10.574 -6.028 19.647 1.00 9.16 C ATOM 0 H ALA A 67 -12.443 -4.304 18.219 1.00 8.55 H new ATOM 0 HA ALA A 67 -12.071 -5.257 20.968 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -9.799 -6.064 20.412 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -11.055 -7.003 19.573 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -10.125 -5.771 18.688 1.00 9.16 H new ATOM 625 N PRO A 68 -10.543 -3.288 21.446 1.00 9.42 N ATOM 626 CA PRO A 68 -9.877 -2.018 21.759 1.00 9.81 C ATOM 627 C PRO A 68 -8.377 -2.048 21.450 1.00 10.00 C ATOM 628 O PRO A 68 -7.593 -1.302 22.035 1.00 10.26 O ATOM 629 CB PRO A 68 -10.114 -1.880 23.261 1.00 10.35 C ATOM 630 CG PRO A 68 -10.152 -3.282 23.764 1.00 10.29 C ATOM 631 CD PRO A 68 -10.723 -4.122 22.651 1.00 9.70 C ATOM 0 HA PRO A 68 -10.263 -1.189 21.166 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -9.317 -1.309 23.738 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -11.048 -1.358 23.469 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -9.153 -3.624 24.034 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -10.768 -3.356 24.660 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -10.199 -5.073 22.560 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -11.774 -4.352 22.824 1.00 9.70 H new ATOM 639 N CYS A 69 -7.989 -2.912 20.525 1.00 10.09 N ATOM 640 CA CYS A 69 -6.596 -3.039 20.125 1.00 10.43 C ATOM 641 C CYS A 69 -6.518 -3.520 18.682 1.00 10.35 C ATOM 642 O CYS A 69 -6.320 -4.706 18.421 1.00 10.58 O ATOM 643 CB CYS A 69 -5.861 -4.023 21.042 1.00 10.98 C ATOM 644 SG CYS A 69 -4.080 -4.197 20.686 1.00 11.49 S ATOM 0 H CYS A 69 -8.625 -3.540 20.034 1.00 10.09 H new ATOM 0 HA CYS A 69 -6.118 -2.063 20.208 1.00 10.43 H new ATOM 0 HB2 CYS A 69 -5.983 -3.698 22.075 1.00 10.98 H new ATOM 0 HB3 CYS A 69 -6.333 -5.002 20.958 1.00 10.98 H new ATOM 649 N THR A 70 -6.720 -2.607 17.745 1.00 10.23 N ATOM 650 CA THR A 70 -6.702 -2.957 16.335 1.00 10.31 C ATOM 651 C THR A 70 -5.680 -2.126 15.571 1.00 10.28 C ATOM 652 O THR A 70 -4.829 -2.665 14.860 1.00 10.36 O ATOM 653 CB THR A 70 -7.896 -2.795 15.790 1.00 10.47 C ATOM 654 OG1 THR A 70 -8.467 -1.537 16.192 1.00 10.95 O ATOM 655 CG2 THR A 70 -8.833 -3.932 16.160 1.00 10.51 C ATOM 0 H THR A 70 -6.898 -1.621 17.935 1.00 10.23 H new ATOM 0 HA THR A 70 -6.420 -4.008 16.270 1.00 10.31 H new ATOM 0 HB THR A 70 -7.768 -2.799 14.708 1.00 10.47 H new ATOM 0 HG1 THR A 70 -9.349 -1.431 15.779 1.00 10.95 H new ATOM 0 HG21 THR A 70 -9.805 -3.768 15.696 1.00 10.51 H new ATOM 0 HG22 THR A 70 -8.417 -4.876 15.807 1.00 10.51 H new ATOM 0 HG23 THR A 70 -8.950 -3.969 17.243 1.00 10.51 H new ATOM 663 N ASP A 71 -5.738 -0.815 15.760 1.00 10.38 N ATOM 664 CA ASP A 71 -4.874 0.104 15.033 1.00 10.55 C ATOM 665 C ASP A 71 -3.498 0.209 15.658 1.00 10.46 C ATOM 666 O ASP A 71 -3.348 0.623 16.810 1.00 10.82 O ATOM 667 CB ASP A 71 -5.482 1.506 14.962 1.00 11.00 C ATOM 668 CG ASP A 71 -6.440 1.688 13.805 1.00 11.33 C ATOM 669 OD1 ASP A 71 -7.587 2.124 14.044 1.00 11.56 O ATOM 670 OD2 ASP A 71 -6.049 1.419 12.650 1.00 11.54 O ATOM 0 H ASP A 71 -6.377 -0.363 16.414 1.00 10.38 H new ATOM 0 HA ASP A 71 -4.778 -0.308 14.028 1.00 10.55 H new ATOM 0 HB2 ASP A 71 -6.007 1.714 15.895 1.00 11.00 H new ATOM 0 HB3 ASP A 71 -4.679 2.238 14.878 1.00 11.00 H new ATOM 675 N SER A 72 -2.498 -0.191 14.899 1.00 10.16 N ATOM 676 CA SER A 72 -1.129 0.164 15.204 1.00 10.18 C ATOM 677 C SER A 72 -0.718 1.277 14.249 1.00 9.81 C ATOM 678 O SER A 72 -0.433 1.016 13.082 1.00 9.67 O ATOM 679 CB SER A 72 -0.206 -1.053 15.076 1.00 10.51 C ATOM 680 OG SER A 72 -0.388 -1.717 13.837 1.00 10.96 O ATOM 0 H SER A 72 -2.610 -0.765 14.063 1.00 10.16 H new ATOM 0 HA SER A 72 -1.046 0.509 16.235 1.00 10.18 H new ATOM 0 HB2 SER A 72 0.832 -0.735 15.170 1.00 10.51 H new ATOM 0 HB3 SER A 72 -0.402 -1.747 15.894 1.00 10.51 H new ATOM 0 HG SER A 72 -0.473 -1.054 13.120 1.00 10.96 H new ATOM 686 N PRO A 73 -0.730 2.533 14.731 1.00 9.90 N ATOM 687 CA PRO A 73 -0.602 3.735 13.898 1.00 9.80 C ATOM 688 C PRO A 73 0.437 3.622 12.785 1.00 9.46 C ATOM 689 O PRO A 73 1.642 3.684 13.031 1.00 9.61 O ATOM 690 CB PRO A 73 -0.205 4.836 14.895 1.00 10.31 C ATOM 691 CG PRO A 73 -0.083 4.168 16.231 1.00 10.68 C ATOM 692 CD PRO A 73 -0.860 2.890 16.143 1.00 10.39 C ATOM 0 HA PRO A 73 -1.533 3.928 13.366 1.00 9.80 H new ATOM 0 HB2 PRO A 73 0.737 5.302 14.605 1.00 10.31 H new ATOM 0 HB3 PRO A 73 -0.956 5.626 14.922 1.00 10.31 H new ATOM 0 HG2 PRO A 73 0.962 3.971 16.472 1.00 10.68 H new ATOM 0 HG3 PRO A 73 -0.477 4.807 17.021 1.00 10.68 H new ATOM 0 HD2 PRO A 73 -0.448 2.120 16.795 1.00 10.39 H new ATOM 0 HD3 PRO A 73 -1.902 3.029 16.432 1.00 10.39 H new ATOM 700 N GLU A 74 -0.043 3.437 11.560 1.00 9.22 N ATOM 701 CA GLU A 74 0.825 3.394 10.393 1.00 9.06 C ATOM 702 C GLU A 74 0.071 3.829 9.137 1.00 8.23 C ATOM 703 O GLU A 74 -0.710 3.074 8.558 1.00 8.21 O ATOM 704 CB GLU A 74 1.441 1.997 10.206 1.00 9.74 C ATOM 705 CG GLU A 74 0.428 0.867 10.070 1.00 10.53 C ATOM 706 CD GLU A 74 1.083 -0.481 9.850 1.00 11.29 C ATOM 707 OE1 GLU A 74 1.395 -0.819 8.690 1.00 11.57 O ATOM 708 OE2 GLU A 74 1.288 -1.216 10.841 1.00 11.76 O ATOM 0 H GLU A 74 -1.034 3.314 11.351 1.00 9.22 H new ATOM 0 HA GLU A 74 1.641 4.097 10.560 1.00 9.06 H new ATOM 0 HB2 GLU A 74 2.072 2.009 9.318 1.00 9.74 H new ATOM 0 HB3 GLU A 74 2.090 1.784 11.056 1.00 9.74 H new ATOM 0 HG2 GLU A 74 -0.187 0.825 10.969 1.00 10.53 H new ATOM 0 HG3 GLU A 74 -0.241 1.082 9.236 1.00 10.53 H new ATOM 715 N PHE A 75 0.276 5.072 8.744 1.00 7.77 N ATOM 716 CA PHE A 75 -0.277 5.567 7.497 1.00 7.11 C ATOM 717 C PHE A 75 0.849 5.755 6.488 1.00 6.04 C ATOM 718 O PHE A 75 1.776 6.529 6.716 1.00 6.09 O ATOM 719 CB PHE A 75 -1.069 6.870 7.711 1.00 7.64 C ATOM 720 CG PHE A 75 -0.304 7.976 8.393 1.00 8.33 C ATOM 721 CD1 PHE A 75 -0.127 7.971 9.768 1.00 8.82 C ATOM 722 CD2 PHE A 75 0.231 9.025 7.659 1.00 8.70 C ATOM 723 CE1 PHE A 75 0.569 8.985 10.396 1.00 9.64 C ATOM 724 CE2 PHE A 75 0.929 10.041 8.282 1.00 9.54 C ATOM 725 CZ PHE A 75 1.097 10.020 9.652 1.00 10.00 C ATOM 0 H PHE A 75 0.820 5.757 9.269 1.00 7.77 H new ATOM 0 HA PHE A 75 -0.983 4.835 7.105 1.00 7.11 H new ATOM 0 HB2 PHE A 75 -1.414 7.231 6.742 1.00 7.64 H new ATOM 0 HB3 PHE A 75 -1.957 6.645 8.302 1.00 7.64 H new ATOM 0 HD1 PHE A 75 -0.539 7.164 10.356 1.00 8.82 H new ATOM 0 HD2 PHE A 75 0.100 9.047 6.587 1.00 8.70 H new ATOM 0 HE1 PHE A 75 0.700 8.968 11.468 1.00 9.64 H new ATOM 0 HE2 PHE A 75 1.343 10.850 7.698 1.00 9.54 H new ATOM 0 HZ PHE A 75 1.642 10.814 10.141 1.00 10.00 H new ATOM 735 N TYR A 76 0.773 5.023 5.386 1.00 5.40 N ATOM 736 CA TYR A 76 1.861 4.984 4.414 1.00 4.59 C ATOM 737 C TYR A 76 2.019 6.320 3.692 1.00 3.79 C ATOM 738 O TYR A 76 2.963 7.062 3.954 1.00 3.92 O ATOM 739 CB TYR A 76 1.630 3.841 3.421 1.00 4.75 C ATOM 740 CG TYR A 76 1.423 2.509 4.106 1.00 5.22 C ATOM 741 CD1 TYR A 76 2.463 1.890 4.789 1.00 5.71 C ATOM 742 CD2 TYR A 76 0.186 1.878 4.080 1.00 5.53 C ATOM 743 CE1 TYR A 76 2.275 0.681 5.431 1.00 6.42 C ATOM 744 CE2 TYR A 76 -0.009 0.667 4.718 1.00 6.25 C ATOM 745 CZ TYR A 76 1.039 0.073 5.392 1.00 6.65 C ATOM 746 OH TYR A 76 0.848 -1.128 6.035 1.00 7.53 O ATOM 0 H TYR A 76 -0.032 4.446 5.140 1.00 5.40 H new ATOM 0 HA TYR A 76 2.793 4.801 4.949 1.00 4.59 H new ATOM 0 HB2 TYR A 76 0.759 4.069 2.807 1.00 4.75 H new ATOM 0 HB3 TYR A 76 2.485 3.771 2.748 1.00 4.75 H new ATOM 0 HD1 TYR A 76 3.434 2.362 4.818 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -0.636 2.340 3.554 1.00 5.53 H new ATOM 0 HE1 TYR A 76 3.093 0.215 5.961 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -0.977 0.188 4.689 1.00 6.25 H new ATOM 0 HH TYR A 76 1.135 -1.049 6.969 1.00 7.53 H new ATOM 756 N GLY A 77 1.092 6.640 2.802 1.00 3.20 N ATOM 757 CA GLY A 77 1.164 7.901 2.098 1.00 2.71 C ATOM 758 C GLY A 77 -0.014 8.778 2.430 1.00 1.94 C ATOM 759 O GLY A 77 -0.911 8.943 1.610 1.00 2.44 O ATOM 0 H GLY A 77 0.296 6.052 2.556 1.00 3.20 H new ATOM 0 HA2 GLY A 77 2.089 8.415 2.361 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.194 7.720 1.024 1.00 2.71 H new ATOM 763 N LYS A 78 -0.023 9.311 3.658 1.00 1.39 N ATOM 764 CA LYS A 78 -1.122 10.153 4.139 1.00 1.29 C ATOM 765 C LYS A 78 -2.389 9.307 4.316 1.00 1.03 C ATOM 766 O LYS A 78 -3.462 9.828 4.596 1.00 1.02 O ATOM 767 CB LYS A 78 -1.376 11.296 3.138 1.00 2.10 C ATOM 768 CG LYS A 78 -2.266 12.415 3.648 1.00 2.61 C ATOM 769 CD LYS A 78 -1.513 13.343 4.583 1.00 3.18 C ATOM 770 CE LYS A 78 -2.293 14.619 4.836 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.495 15.622 5.583 1.00 4.14 N ATOM 0 H LYS A 78 0.724 9.172 4.339 1.00 1.39 H new ATOM 0 HA LYS A 78 -0.852 10.583 5.104 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -0.416 11.721 2.845 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.826 10.876 2.238 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -2.655 12.985 2.804 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -3.124 11.990 4.169 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -1.324 12.835 5.529 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.542 13.587 4.153 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.610 15.045 3.884 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -3.198 14.385 5.397 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -2.066 16.478 5.734 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.214 15.227 6.503 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.644 15.866 5.037 1.00 4.14 H new ATOM 785 N PHE A 79 -2.218 7.986 4.227 1.00 0.95 N ATOM 786 CA PHE A 79 -3.327 7.039 4.062 1.00 0.77 C ATOM 787 C PHE A 79 -4.510 7.299 4.995 1.00 0.70 C ATOM 788 O PHE A 79 -5.673 7.215 4.554 1.00 0.64 O ATOM 789 CB PHE A 79 -2.836 5.601 4.256 1.00 0.88 C ATOM 790 CG PHE A 79 -3.839 4.575 3.806 1.00 0.79 C ATOM 791 CD1 PHE A 79 -4.678 3.942 4.710 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.947 4.258 2.465 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.609 3.015 4.276 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.870 3.333 2.027 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.701 2.709 2.931 1.00 0.82 C ATOM 0 H PHE A 79 -1.302 7.539 4.267 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.689 7.187 3.045 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -1.908 5.462 3.702 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -2.606 5.440 5.309 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -4.604 4.174 5.762 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -3.299 4.742 1.750 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.263 2.531 4.987 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.942 3.098 0.975 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.423 1.982 2.590 1.00 0.82 H new ATOM 805 N LYS A 80 -4.223 7.640 6.263 1.00 0.82 N ATOM 806 CA LYS A 80 -5.278 7.757 7.267 1.00 0.89 C ATOM 807 C LYS A 80 -6.238 8.883 6.901 1.00 0.81 C ATOM 808 O LYS A 80 -7.450 8.762 7.074 1.00 0.87 O ATOM 809 CB LYS A 80 -4.686 7.994 8.659 1.00 1.12 C ATOM 810 CG LYS A 80 -5.690 7.847 9.802 1.00 1.66 C ATOM 811 CD LYS A 80 -6.020 6.386 10.104 1.00 2.17 C ATOM 812 CE LYS A 80 -6.944 5.762 9.062 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.316 6.338 9.107 1.00 3.48 N ATOM 0 H LYS A 80 -3.283 7.835 6.607 1.00 0.82 H new ATOM 0 HA LYS A 80 -5.831 6.818 7.288 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -3.867 7.292 8.817 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -4.258 8.996 8.693 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -5.287 8.318 10.698 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -6.607 8.378 9.547 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -5.095 5.812 10.153 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -6.489 6.319 11.086 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -6.522 5.912 8.068 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -6.999 4.686 9.226 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -9.001 5.630 8.772 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -8.547 6.608 10.084 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.360 7.178 8.496 1.00 3.48 H new ATOM 827 N GLU A 81 -5.681 9.966 6.380 1.00 0.78 N ATOM 828 CA GLU A 81 -6.473 11.089 5.912 1.00 0.78 C ATOM 829 C GLU A 81 -6.844 10.878 4.452 1.00 0.62 C ATOM 830 O GLU A 81 -7.883 11.334 3.995 1.00 0.64 O ATOM 831 CB GLU A 81 -5.684 12.388 6.072 1.00 0.96 C ATOM 832 CG GLU A 81 -6.480 13.640 5.746 1.00 1.53 C ATOM 833 CD GLU A 81 -5.636 14.893 5.799 1.00 2.31 C ATOM 834 OE1 GLU A 81 -5.507 15.571 4.760 1.00 3.07 O ATOM 835 OE2 GLU A 81 -5.084 15.200 6.876 1.00 2.63 O ATOM 0 H GLU A 81 -4.674 10.089 6.271 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.384 11.158 6.506 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.322 12.457 7.098 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -4.807 12.350 5.426 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.916 13.541 4.752 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -7.308 13.734 6.449 1.00 1.53 H new ATOM 842 N GLY A 82 -5.996 10.142 3.743 1.00 0.55 N ATOM 843 CA GLY A 82 -6.183 9.894 2.341 1.00 0.47 C ATOM 844 C GLY A 82 -7.532 9.289 2.047 1.00 0.46 C ATOM 845 O GLY A 82 -8.196 9.649 1.072 1.00 0.49 O ATOM 0 H GLY A 82 -5.162 9.705 4.136 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.078 10.829 1.791 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.400 9.224 1.984 1.00 0.47 H new ATOM 849 N VAL A 83 -7.927 8.377 2.920 1.00 0.51 N ATOM 850 CA VAL A 83 -9.196 7.677 2.793 1.00 0.61 C ATOM 851 C VAL A 83 -10.367 8.639 2.950 1.00 0.70 C ATOM 852 O VAL A 83 -11.217 8.739 2.067 1.00 0.79 O ATOM 853 CB VAL A 83 -9.298 6.719 3.704 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.651 6.015 3.615 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.167 5.712 3.567 1.00 0.69 C ATOM 0 H VAL A 83 -7.379 8.101 3.735 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.226 7.234 1.797 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.222 7.189 4.684 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.706 5.235 4.374 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.449 6.739 3.780 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.765 5.569 2.627 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.275 4.938 4.326 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.203 5.257 2.577 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.211 6.218 3.699 1.00 0.69 H new ATOM 865 N ALA A 84 -10.370 9.386 4.046 1.00 0.76 N ATOM 866 CA ALA A 84 -11.520 10.202 4.407 1.00 0.94 C ATOM 867 C ALA A 84 -11.505 11.539 3.689 1.00 0.88 C ATOM 868 O ALA A 84 -12.542 12.185 3.535 1.00 1.07 O ATOM 869 CB ALA A 84 -11.580 10.402 5.913 1.00 1.12 C ATOM 0 H ALA A 84 -9.589 9.443 4.700 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.416 9.669 4.089 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.446 11.014 6.165 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.665 9.433 6.406 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.672 10.902 6.250 1.00 1.12 H new ATOM 875 N SER A 85 -10.331 11.960 3.263 1.00 0.76 N ATOM 876 CA SER A 85 -10.218 13.145 2.426 1.00 0.84 C ATOM 877 C SER A 85 -10.777 12.828 1.038 1.00 0.94 C ATOM 878 O SER A 85 -11.175 13.720 0.289 1.00 1.22 O ATOM 879 CB SER A 85 -8.759 13.616 2.340 1.00 1.19 C ATOM 880 OG SER A 85 -8.654 14.885 1.714 1.00 1.88 O ATOM 0 H SER A 85 -9.444 11.505 3.479 1.00 0.76 H new ATOM 0 HA SER A 85 -10.795 13.958 2.868 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.334 13.668 3.342 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.173 12.885 1.783 1.00 1.19 H new ATOM 0 HG SER A 85 -8.274 14.777 0.817 1.00 1.88 H new ATOM 886 N GLY A 86 -10.802 11.536 0.714 1.00 0.96 N ATOM 887 CA GLY A 86 -11.415 11.079 -0.515 1.00 1.46 C ATOM 888 C GLY A 86 -10.611 11.466 -1.733 1.00 1.21 C ATOM 889 O GLY A 86 -11.158 11.619 -2.822 1.00 1.66 O ATOM 0 H GLY A 86 -10.403 10.794 1.290 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.524 9.995 -0.483 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.418 11.498 -0.596 1.00 1.46 H new ATOM 893 N ASN A 87 -9.312 11.628 -1.545 1.00 0.66 N ATOM 894 CA ASN A 87 -8.433 12.029 -2.638 1.00 0.67 C ATOM 895 C ASN A 87 -6.989 11.653 -2.364 1.00 0.52 C ATOM 896 O ASN A 87 -6.069 12.431 -2.613 1.00 0.72 O ATOM 897 CB ASN A 87 -8.551 13.535 -2.928 1.00 0.95 C ATOM 898 CG ASN A 87 -8.339 14.422 -1.705 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.655 14.052 -0.747 1.00 2.08 O ATOM 900 ND2 ASN A 87 -8.918 15.613 -1.736 1.00 1.72 N ATOM 0 H ASN A 87 -8.841 11.489 -0.651 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.759 11.484 -3.524 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.821 13.806 -3.691 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.538 13.738 -3.344 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -8.805 16.256 -0.952 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -9.477 15.887 -2.544 1.00 1.72 H new ATOM 907 N LEU A 88 -6.807 10.436 -1.891 1.00 0.40 N ATOM 908 CA LEU A 88 -5.493 9.916 -1.562 1.00 0.32 C ATOM 909 C LEU A 88 -4.623 9.761 -2.797 1.00 0.30 C ATOM 910 O LEU A 88 -4.584 8.697 -3.397 1.00 0.34 O ATOM 911 CB LEU A 88 -5.638 8.559 -0.894 1.00 0.37 C ATOM 912 CG LEU A 88 -4.614 8.280 0.172 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.957 6.999 0.915 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.207 8.212 -0.400 1.00 0.48 C ATOM 0 H LEU A 88 -7.568 9.778 -1.723 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.014 10.628 -0.890 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.632 8.489 -0.453 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.572 7.783 -1.657 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.637 9.111 0.877 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.206 6.812 1.683 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.936 7.101 1.382 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.974 6.165 0.213 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.498 8.009 0.402 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.154 7.415 -1.142 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.959 9.163 -0.871 1.00 0.48 H new ATOM 926 N ASN A 89 -3.940 10.812 -3.184 1.00 0.32 N ATOM 927 CA ASN A 89 -3.031 10.733 -4.308 1.00 0.34 C ATOM 928 C ASN A 89 -1.812 11.618 -4.066 1.00 0.40 C ATOM 929 O ASN A 89 -1.880 12.839 -4.210 1.00 0.50 O ATOM 930 CB ASN A 89 -3.766 11.117 -5.599 1.00 0.41 C ATOM 931 CG ASN A 89 -2.849 11.215 -6.810 1.00 1.12 C ATOM 932 OD1 ASN A 89 -3.071 12.033 -7.701 1.00 2.01 O ATOM 933 ND2 ASN A 89 -1.825 10.374 -6.866 1.00 1.62 N ATOM 0 H ASN A 89 -3.994 11.729 -2.741 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.675 9.709 -4.416 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.543 10.379 -5.799 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.266 12.074 -5.453 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.192 10.393 -7.666 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -1.670 9.708 -6.109 1.00 1.62 H new ATOM 940 N THR A 90 -0.705 11.003 -3.659 1.00 0.39 N ATOM 941 CA THR A 90 0.525 11.727 -3.409 1.00 0.50 C ATOM 942 C THR A 90 1.723 10.857 -3.783 1.00 0.55 C ATOM 943 O THR A 90 1.649 9.627 -3.713 1.00 0.69 O ATOM 944 CB THR A 90 0.615 12.094 -2.128 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.551 12.843 -1.743 1.00 1.67 O ATOM 946 CG2 THR A 90 1.854 12.933 -1.842 1.00 1.22 C ATOM 0 H THR A 90 -0.641 9.998 -3.496 1.00 0.39 H new ATOM 0 HA THR A 90 0.522 12.628 -4.023 1.00 0.50 H new ATOM 0 HB THR A 90 0.690 11.175 -1.547 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.475 13.106 -0.802 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.875 13.203 -0.786 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.747 12.359 -2.088 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.828 13.839 -2.447 1.00 1.22 H new ATOM 954 N MET A 91 2.778 11.486 -4.278 1.00 0.72 N ATOM 955 CA MET A 91 4.043 10.803 -4.485 1.00 1.00 C ATOM 956 C MET A 91 5.098 11.395 -3.567 1.00 0.88 C ATOM 957 O MET A 91 5.438 12.575 -3.659 1.00 0.92 O ATOM 958 CB MET A 91 4.508 10.863 -5.948 1.00 1.53 C ATOM 959 CG MET A 91 4.495 12.255 -6.576 1.00 2.33 C ATOM 960 SD MET A 91 2.830 12.876 -6.900 1.00 3.24 S ATOM 961 CE MET A 91 3.202 14.502 -7.558 1.00 3.94 C ATOM 0 H MET A 91 2.782 12.471 -4.544 1.00 0.72 H new ATOM 0 HA MET A 91 3.895 9.750 -4.245 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.521 10.464 -6.008 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.872 10.207 -6.542 1.00 1.53 H new ATOM 0 HG2 MET A 91 5.012 12.950 -5.914 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.054 12.230 -7.511 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.273 15.015 -7.808 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.747 15.081 -6.812 1.00 3.94 H new ATOM 0 HE3 MET A 91 3.813 14.400 -8.455 1.00 3.94 H new ATOM 971 N PHE A 92 5.587 10.570 -2.669 1.00 0.98 N ATOM 972 CA PHE A 92 6.573 10.991 -1.700 1.00 1.01 C ATOM 973 C PHE A 92 7.686 9.957 -1.640 1.00 0.90 C ATOM 974 O PHE A 92 7.480 8.799 -1.999 1.00 0.85 O ATOM 975 CB PHE A 92 5.905 11.154 -0.326 1.00 1.24 C ATOM 976 CG PHE A 92 6.757 11.840 0.706 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.871 13.220 0.726 1.00 1.94 C ATOM 978 CD2 PHE A 92 7.450 11.101 1.651 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.660 13.849 1.670 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.239 11.726 2.598 1.00 2.01 C ATOM 981 CZ PHE A 92 8.319 13.113 2.618 1.00 2.46 C ATOM 0 H PHE A 92 5.313 9.591 -2.590 1.00 0.98 H new ATOM 0 HA PHE A 92 7.000 11.951 -1.992 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.982 11.720 -0.450 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.627 10.168 0.048 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.338 13.811 -0.004 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.373 10.024 1.648 1.00 1.58 H new ATOM 0 HE1 PHE A 92 7.757 14.925 1.660 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.790 11.140 3.318 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.900 13.610 3.380 1.00 2.46 H new ATOM 991 N GLU A 93 8.866 10.376 -1.241 1.00 0.98 N ATOM 992 CA GLU A 93 9.962 9.449 -1.037 1.00 0.97 C ATOM 993 C GLU A 93 10.609 9.707 0.313 1.00 1.21 C ATOM 994 O GLU A 93 11.036 10.831 0.612 1.00 1.50 O ATOM 995 CB GLU A 93 10.981 9.549 -2.172 1.00 1.18 C ATOM 996 CG GLU A 93 11.392 10.967 -2.522 1.00 1.33 C ATOM 997 CD GLU A 93 12.231 11.014 -3.777 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.464 11.149 -3.660 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.664 10.934 -4.885 1.00 1.92 O ATOM 0 H GLU A 93 9.094 11.352 -1.051 1.00 0.98 H new ATOM 0 HA GLU A 93 9.570 8.432 -1.043 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.871 8.983 -1.896 1.00 1.18 H new ATOM 0 HB3 GLU A 93 10.565 9.074 -3.061 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.501 11.581 -2.657 1.00 1.33 H new ATOM 0 HG3 GLU A 93 11.953 11.398 -1.693 1.00 1.33 H new ATOM 1006 N TYR A 94 10.646 8.670 1.137 1.00 1.23 N ATOM 1007 CA TYR A 94 11.150 8.794 2.486 1.00 1.60 C ATOM 1008 C TYR A 94 12.271 7.800 2.721 1.00 1.67 C ATOM 1009 O TYR A 94 12.117 6.604 2.488 1.00 1.62 O ATOM 1010 CB TYR A 94 10.024 8.582 3.505 1.00 1.88 C ATOM 1011 CG TYR A 94 10.455 8.779 4.943 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.627 7.694 5.794 1.00 2.63 C ATOM 1013 CD2 TYR A 94 10.692 10.054 5.448 1.00 2.62 C ATOM 1014 CE1 TYR A 94 11.019 7.873 7.107 1.00 3.18 C ATOM 1015 CE2 TYR A 94 11.086 10.239 6.759 1.00 3.33 C ATOM 1016 CZ TYR A 94 11.248 9.146 7.584 1.00 3.51 C ATOM 1017 OH TYR A 94 11.641 9.326 8.893 1.00 4.29 O ATOM 0 H TYR A 94 10.330 7.732 0.889 1.00 1.23 H new ATOM 0 HA TYR A 94 11.544 9.802 2.616 1.00 1.60 H new ATOM 0 HB2 TYR A 94 9.210 9.272 3.282 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.627 7.573 3.389 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.452 6.695 5.423 1.00 2.63 H new ATOM 0 HD2 TYR A 94 10.566 10.912 4.805 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.145 7.019 7.757 1.00 3.18 H new ATOM 0 HE2 TYR A 94 11.266 11.235 7.136 1.00 3.33 H new ATOM 0 HH TYR A 94 11.761 10.282 9.070 1.00 4.29 H new ATOM 1027 N THR A 95 13.408 8.306 3.147 1.00 1.95 N ATOM 1028 CA THR A 95 14.515 7.455 3.512 1.00 2.19 C ATOM 1029 C THR A 95 14.530 7.264 5.023 1.00 2.45 C ATOM 1030 O THR A 95 14.125 8.156 5.774 1.00 2.63 O ATOM 1031 CB THR A 95 15.673 7.944 3.081 1.00 2.45 C ATOM 1032 OG1 THR A 95 16.754 7.058 3.411 1.00 2.89 O ATOM 1033 CG2 THR A 95 15.952 9.334 3.645 1.00 2.83 C ATOM 0 H THR A 95 13.588 9.305 3.249 1.00 1.95 H new ATOM 0 HA THR A 95 14.382 6.487 3.029 1.00 2.19 H new ATOM 0 HB THR A 95 15.598 8.031 1.997 1.00 2.45 H new ATOM 0 HG1 THR A 95 17.597 7.435 3.084 1.00 2.89 H new ATOM 0 HG21 THR A 95 16.908 9.695 3.267 1.00 2.83 H new ATOM 0 HG22 THR A 95 15.159 10.017 3.339 1.00 2.83 H new ATOM 0 HG23 THR A 95 15.988 9.285 4.733 1.00 2.83 H new ATOM 1041 N PHE A 96 14.897 6.074 5.465 1.00 2.62 N ATOM 1042 CA PHE A 96 14.964 5.792 6.887 1.00 3.02 C ATOM 1043 C PHE A 96 16.122 4.862 7.204 1.00 3.39 C ATOM 1044 O PHE A 96 16.203 3.740 6.703 1.00 3.84 O ATOM 1045 CB PHE A 96 13.632 5.221 7.412 1.00 3.29 C ATOM 1046 CG PHE A 96 13.143 3.977 6.718 1.00 3.71 C ATOM 1047 CD1 PHE A 96 13.428 2.721 7.233 1.00 4.45 C ATOM 1048 CD2 PHE A 96 12.389 4.063 5.559 1.00 3.78 C ATOM 1049 CE1 PHE A 96 12.974 1.577 6.605 1.00 5.24 C ATOM 1050 CE2 PHE A 96 11.934 2.923 4.925 1.00 4.50 C ATOM 1051 CZ PHE A 96 12.226 1.678 5.448 1.00 5.25 C ATOM 0 H PHE A 96 15.152 5.291 4.863 1.00 2.62 H new ATOM 0 HA PHE A 96 15.141 6.736 7.402 1.00 3.02 H new ATOM 0 HB2 PHE A 96 13.743 5.004 8.474 1.00 3.29 H new ATOM 0 HB3 PHE A 96 12.866 5.991 7.323 1.00 3.29 H new ATOM 0 HD1 PHE A 96 14.013 2.636 8.137 1.00 4.45 H new ATOM 0 HD2 PHE A 96 12.154 5.033 5.146 1.00 3.78 H new ATOM 0 HE1 PHE A 96 13.203 0.606 7.018 1.00 5.24 H new ATOM 0 HE2 PHE A 96 11.350 3.005 4.020 1.00 4.50 H new ATOM 0 HZ PHE A 96 11.870 0.786 4.954 1.00 5.25 H new ATOM 1061 N ASP A 97 17.039 5.355 8.010 1.00 3.71 N ATOM 1062 CA ASP A 97 18.149 4.554 8.480 1.00 4.37 C ATOM 1063 C ASP A 97 17.694 3.723 9.670 1.00 4.59 C ATOM 1064 O ASP A 97 17.606 4.228 10.787 1.00 4.90 O ATOM 1065 CB ASP A 97 19.323 5.455 8.879 1.00 5.00 C ATOM 1066 CG ASP A 97 20.551 4.675 9.310 1.00 5.62 C ATOM 1067 OD1 ASP A 97 20.544 4.091 10.414 1.00 5.98 O ATOM 1068 OD2 ASP A 97 21.542 4.664 8.556 1.00 6.06 O ATOM 0 H ASP A 97 17.036 6.315 8.355 1.00 3.71 H new ATOM 0 HA ASP A 97 18.483 3.892 7.681 1.00 4.37 H new ATOM 0 HB2 ASP A 97 19.584 6.096 8.037 1.00 5.00 H new ATOM 0 HB3 ASP A 97 19.011 6.109 9.693 1.00 5.00 H new ATOM 1073 N TYR A 98 17.348 2.468 9.431 1.00 4.86 N ATOM 1074 CA TYR A 98 16.942 1.599 10.524 1.00 5.39 C ATOM 1075 C TYR A 98 18.152 1.242 11.376 1.00 5.39 C ATOM 1076 O TYR A 98 18.047 1.111 12.596 1.00 5.65 O ATOM 1077 CB TYR A 98 16.222 0.341 10.010 1.00 6.08 C ATOM 1078 CG TYR A 98 17.011 -0.500 9.026 1.00 6.83 C ATOM 1079 CD1 TYR A 98 17.905 -1.467 9.468 1.00 7.42 C ATOM 1080 CD2 TYR A 98 16.845 -0.339 7.655 1.00 7.24 C ATOM 1081 CE1 TYR A 98 18.614 -2.246 8.576 1.00 8.35 C ATOM 1082 CE2 TYR A 98 17.553 -1.115 6.756 1.00 8.16 C ATOM 1083 CZ TYR A 98 18.435 -2.067 7.223 1.00 8.70 C ATOM 1084 OH TYR A 98 19.141 -2.846 6.333 1.00 9.77 O ATOM 0 H TYR A 98 17.340 2.034 8.508 1.00 4.86 H new ATOM 0 HA TYR A 98 16.226 2.137 11.146 1.00 5.39 H new ATOM 0 HB2 TYR A 98 15.958 -0.281 10.865 1.00 6.08 H new ATOM 0 HB3 TYR A 98 15.288 0.645 9.536 1.00 6.08 H new ATOM 0 HD1 TYR A 98 18.048 -1.612 10.529 1.00 7.42 H new ATOM 0 HD2 TYR A 98 16.153 0.403 7.287 1.00 7.24 H new ATOM 0 HE1 TYR A 98 19.306 -2.992 8.938 1.00 8.35 H new ATOM 0 HE2 TYR A 98 17.416 -0.976 5.694 1.00 8.16 H new ATOM 0 HH TYR A 98 18.900 -2.596 5.417 1.00 9.77 H new ATOM 1094 N GLN A 99 19.303 1.129 10.718 1.00 5.51 N ATOM 1095 CA GLN A 99 20.569 0.867 11.388 1.00 5.83 C ATOM 1096 C GLN A 99 21.693 0.811 10.360 1.00 5.62 C ATOM 1097 O GLN A 99 21.994 -0.255 9.819 1.00 5.86 O ATOM 1098 CB GLN A 99 20.516 -0.442 12.183 1.00 6.51 C ATOM 1099 CG GLN A 99 21.728 -0.667 13.073 1.00 7.10 C ATOM 1100 CD GLN A 99 21.659 -1.975 13.839 1.00 7.79 C ATOM 1101 OE1 GLN A 99 22.148 -2.073 14.962 1.00 8.08 O ATOM 1102 NE2 GLN A 99 21.072 -2.994 13.235 1.00 8.34 N ATOM 0 H GLN A 99 19.382 1.217 9.705 1.00 5.51 H new ATOM 0 HA GLN A 99 20.759 1.678 12.091 1.00 5.83 H new ATOM 0 HB2 GLN A 99 19.618 -0.446 12.800 1.00 6.51 H new ATOM 0 HB3 GLN A 99 20.428 -1.276 11.487 1.00 6.51 H new ATOM 0 HG2 GLN A 99 22.630 -0.657 12.461 1.00 7.10 H new ATOM 0 HG3 GLN A 99 21.813 0.159 13.779 1.00 7.10 H new ATOM 0 HE21 GLN A 99 20.677 -2.875 12.302 1.00 8.34 H new ATOM 0 HE22 GLN A 99 21.014 -3.899 13.702 1.00 8.34 H new ATOM 1111 N MET A 100 22.242 1.983 10.043 1.00 5.51 N ATOM 1112 CA MET A 100 23.380 2.131 9.122 1.00 5.61 C ATOM 1113 C MET A 100 22.929 2.009 7.662 1.00 5.03 C ATOM 1114 O MET A 100 23.656 2.379 6.737 1.00 5.20 O ATOM 1115 CB MET A 100 24.489 1.115 9.444 1.00 6.33 C ATOM 1116 CG MET A 100 25.750 1.283 8.608 1.00 6.86 C ATOM 1117 SD MET A 100 26.501 2.914 8.798 1.00 7.54 S ATOM 1118 CE MET A 100 26.858 2.923 10.556 1.00 8.19 C ATOM 0 H MET A 100 21.909 2.870 10.420 1.00 5.51 H new ATOM 0 HA MET A 100 23.792 3.130 9.261 1.00 5.61 H new ATOM 0 HB2 MET A 100 24.751 1.202 10.498 1.00 6.33 H new ATOM 0 HB3 MET A 100 24.099 0.108 9.295 1.00 6.33 H new ATOM 0 HG2 MET A 100 26.474 0.519 8.892 1.00 6.86 H new ATOM 0 HG3 MET A 100 25.509 1.119 7.558 1.00 6.86 H new ATOM 0 HE1 MET A 100 27.579 3.710 10.777 1.00 8.19 H new ATOM 0 HE2 MET A 100 25.939 3.107 11.113 1.00 8.19 H new ATOM 0 HE3 MET A 100 27.273 1.958 10.848 1.00 8.19 H new ATOM 1128 N THR A 101 21.722 1.506 7.462 1.00 4.63 N ATOM 1129 CA THR A 101 21.165 1.357 6.130 1.00 4.25 C ATOM 1130 C THR A 101 19.955 2.276 5.942 1.00 3.46 C ATOM 1131 O THR A 101 18.837 1.926 6.326 1.00 3.35 O ATOM 1132 CB THR A 101 20.781 0.110 5.928 1.00 4.65 C ATOM 1133 OG1 THR A 101 21.776 -0.801 6.431 1.00 5.10 O ATOM 1134 CG2 THR A 101 20.534 -0.161 4.449 1.00 5.07 C ATOM 0 H THR A 101 21.106 1.192 8.212 1.00 4.63 H new ATOM 0 HA THR A 101 21.942 1.626 5.415 1.00 4.25 H new ATOM 0 HB THR A 101 19.844 -0.043 6.463 1.00 4.65 H new ATOM 0 HG1 THR A 101 21.482 -1.723 6.278 1.00 5.10 H new ATOM 0 HG21 THR A 101 20.219 -1.196 4.316 1.00 5.07 H new ATOM 0 HG22 THR A 101 19.753 0.505 4.082 1.00 5.07 H new ATOM 0 HG23 THR A 101 21.453 0.014 3.889 1.00 5.07 H new ATOM 1142 N PRO A 102 20.156 3.461 5.346 1.00 3.42 N ATOM 1143 CA PRO A 102 19.068 4.389 5.045 1.00 3.17 C ATOM 1144 C PRO A 102 18.235 3.901 3.865 1.00 2.61 C ATOM 1145 O PRO A 102 18.619 4.068 2.706 1.00 2.79 O ATOM 1146 CB PRO A 102 19.778 5.710 4.705 1.00 3.96 C ATOM 1147 CG PRO A 102 21.225 5.483 5.004 1.00 4.51 C ATOM 1148 CD PRO A 102 21.449 4.001 4.922 1.00 4.18 C ATOM 0 HA PRO A 102 18.372 4.490 5.878 1.00 3.17 H new ATOM 0 HB2 PRO A 102 19.632 5.974 3.658 1.00 3.96 H new ATOM 0 HB3 PRO A 102 19.380 6.532 5.300 1.00 3.96 H new ATOM 0 HG2 PRO A 102 21.856 6.011 4.289 1.00 4.51 H new ATOM 0 HG3 PRO A 102 21.480 5.860 5.994 1.00 4.51 H new ATOM 0 HD2 PRO A 102 21.709 3.685 3.912 1.00 4.18 H new ATOM 0 HD3 PRO A 102 22.258 3.676 5.576 1.00 4.18 H new ATOM 1156 N THR A 103 17.113 3.268 4.166 1.00 2.26 N ATOM 1157 CA THR A 103 16.262 2.693 3.144 1.00 1.91 C ATOM 1158 C THR A 103 15.393 3.767 2.494 1.00 1.65 C ATOM 1159 O THR A 103 14.364 4.164 3.038 1.00 1.74 O ATOM 1160 CB THR A 103 15.494 1.765 3.671 1.00 2.12 C ATOM 1161 OG1 THR A 103 16.285 0.930 4.529 1.00 2.59 O ATOM 1162 CG2 THR A 103 14.833 0.912 2.599 1.00 2.29 C ATOM 0 H THR A 103 16.771 3.140 5.118 1.00 2.26 H new ATOM 0 HA THR A 103 16.899 2.249 2.379 1.00 1.91 H new ATOM 0 HB THR A 103 14.706 2.256 4.242 1.00 2.12 H new ATOM 0 HG1 THR A 103 15.717 0.237 4.926 1.00 2.59 H new ATOM 0 HG21 THR A 103 14.206 0.156 3.071 1.00 2.29 H new ATOM 0 HG22 THR A 103 14.219 1.545 1.958 1.00 2.29 H new ATOM 0 HG23 THR A 103 15.600 0.424 1.998 1.00 2.29 H new ATOM 1170 N LYS A 104 15.819 4.231 1.330 1.00 1.52 N ATOM 1171 CA LYS A 104 15.064 5.220 0.578 1.00 1.37 C ATOM 1172 C LYS A 104 13.917 4.552 -0.177 1.00 1.18 C ATOM 1173 O LYS A 104 14.135 3.902 -1.209 1.00 1.26 O ATOM 1174 CB LYS A 104 15.983 5.951 -0.405 1.00 1.53 C ATOM 1175 CG LYS A 104 15.286 7.042 -1.201 1.00 1.64 C ATOM 1176 CD LYS A 104 16.161 7.538 -2.343 1.00 2.24 C ATOM 1177 CE LYS A 104 15.477 8.641 -3.133 1.00 2.60 C ATOM 1178 NZ LYS A 104 15.395 9.910 -2.362 1.00 3.12 N ATOM 0 H LYS A 104 16.688 3.937 0.884 1.00 1.52 H new ATOM 0 HA LYS A 104 14.647 5.944 1.278 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.813 6.391 0.147 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.410 5.225 -1.097 1.00 1.53 H new ATOM 0 HG2 LYS A 104 14.346 6.660 -1.600 1.00 1.64 H new ATOM 0 HG3 LYS A 104 15.038 7.874 -0.542 1.00 1.64 H new ATOM 0 HD2 LYS A 104 17.106 7.907 -1.944 1.00 2.24 H new ATOM 0 HD3 LYS A 104 16.399 6.707 -3.008 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.023 8.815 -4.060 1.00 2.60 H new ATOM 0 HE3 LYS A 104 14.473 8.319 -3.410 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 14.877 10.621 -2.917 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.896 9.740 -1.465 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 16.355 10.258 -2.163 1.00 3.12 H new ATOM 1192 N VAL A 105 12.701 4.693 0.349 1.00 1.04 N ATOM 1193 CA VAL A 105 11.535 4.116 -0.291 1.00 0.90 C ATOM 1194 C VAL A 105 10.687 5.181 -0.974 1.00 0.72 C ATOM 1195 O VAL A 105 10.825 6.379 -0.710 1.00 0.75 O ATOM 1196 CB VAL A 105 10.780 3.413 0.548 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.547 2.201 1.067 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.268 4.263 1.703 1.00 1.11 C ATOM 0 H VAL A 105 12.505 5.200 1.212 1.00 1.04 H new ATOM 0 HA VAL A 105 11.922 3.430 -1.044 1.00 0.90 H new ATOM 0 HB VAL A 105 9.908 3.066 -0.007 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.915 1.637 1.752 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.832 1.565 0.229 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.443 2.534 1.591 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.656 3.649 2.363 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.113 4.665 2.261 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.668 5.084 1.312 1.00 1.11 H new ATOM 1208 N LYS A 106 9.855 4.731 -1.892 1.00 0.64 N ATOM 1209 CA LYS A 106 8.961 5.607 -2.626 1.00 0.59 C ATOM 1210 C LYS A 106 7.522 5.229 -2.326 1.00 0.53 C ATOM 1211 O LYS A 106 7.206 4.046 -2.209 1.00 0.68 O ATOM 1212 CB LYS A 106 9.204 5.474 -4.134 1.00 0.79 C ATOM 1213 CG LYS A 106 10.626 5.791 -4.580 1.00 1.39 C ATOM 1214 CD LYS A 106 10.842 7.282 -4.801 1.00 1.61 C ATOM 1215 CE LYS A 106 9.890 7.840 -5.851 1.00 2.08 C ATOM 1216 NZ LYS A 106 10.325 9.168 -6.355 1.00 2.36 N ATOM 0 H LYS A 106 9.779 3.747 -2.151 1.00 0.64 H new ATOM 0 HA LYS A 106 9.151 6.636 -2.319 1.00 0.59 H new ATOM 0 HB2 LYS A 106 8.960 4.456 -4.439 1.00 0.79 H new ATOM 0 HB3 LYS A 106 8.517 6.137 -4.659 1.00 0.79 H new ATOM 0 HG2 LYS A 106 11.329 5.431 -3.829 1.00 1.39 H new ATOM 0 HG3 LYS A 106 10.844 5.254 -5.503 1.00 1.39 H new ATOM 0 HD2 LYS A 106 10.698 7.814 -3.860 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.871 7.458 -5.113 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.822 7.141 -6.685 1.00 2.08 H new ATOM 0 HE3 LYS A 106 8.891 7.925 -5.424 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 9.518 9.824 -6.346 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 11.081 9.540 -5.745 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 10.681 9.071 -7.327 1.00 2.36 H new ATOM 1230 N VAL A 107 6.661 6.225 -2.196 1.00 0.47 N ATOM 1231 CA VAL A 107 5.237 5.987 -2.039 1.00 0.49 C ATOM 1232 C VAL A 107 4.458 6.836 -3.012 1.00 0.45 C ATOM 1233 O VAL A 107 4.274 8.037 -2.804 1.00 0.74 O ATOM 1234 CB VAL A 107 4.780 6.232 -0.813 1.00 0.60 C ATOM 1235 CG1 VAL A 107 4.796 4.956 0.017 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.561 7.333 -0.105 1.00 1.11 C ATOM 0 H VAL A 107 6.926 7.210 -2.196 1.00 0.47 H new ATOM 0 HA VAL A 107 5.096 4.924 -2.235 1.00 0.49 H new ATOM 0 HB VAL A 107 3.755 6.587 -0.918 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.420 5.168 1.018 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.163 4.206 -0.457 1.00 0.99 H new ATOM 0 HG13 VAL A 107 5.816 4.579 0.085 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.146 7.491 0.890 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.607 7.039 -0.019 1.00 1.11 H new ATOM 0 HG23 VAL A 107 5.489 8.257 -0.679 1.00 1.11 H new ATOM 1246 N HIS A 108 3.999 6.221 -4.078 1.00 0.30 N ATOM 1247 CA HIS A 108 3.097 6.897 -4.969 1.00 0.31 C ATOM 1248 C HIS A 108 1.732 6.271 -4.801 1.00 0.28 C ATOM 1249 O HIS A 108 1.464 5.187 -5.303 1.00 0.31 O ATOM 1250 CB HIS A 108 3.578 6.790 -6.422 1.00 0.43 C ATOM 1251 CG HIS A 108 2.778 7.610 -7.389 1.00 0.56 C ATOM 1252 ND1 HIS A 108 2.771 7.378 -8.747 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.965 8.676 -7.191 1.00 0.71 C ATOM 1254 CE1 HIS A 108 1.991 8.263 -9.340 1.00 1.01 C ATOM 1255 NE2 HIS A 108 1.492 9.061 -8.417 1.00 0.80 N ATOM 0 H HIS A 108 4.234 5.265 -4.344 1.00 0.30 H new ATOM 0 HA HIS A 108 3.055 7.959 -4.729 1.00 0.31 H new ATOM 0 HB2 HIS A 108 4.621 7.102 -6.473 1.00 0.43 H new ATOM 0 HB3 HIS A 108 3.542 5.745 -6.730 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.733 9.137 -6.242 1.00 0.71 H new ATOM 0 HE1 HIS A 108 1.795 8.323 -10.400 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.856 9.840 -8.588 1.00 0.80 H new ATOM 1264 N MET A 109 0.876 6.960 -4.091 1.00 0.31 N ATOM 1265 CA MET A 109 -0.449 6.454 -3.822 1.00 0.33 C ATOM 1266 C MET A 109 -1.440 7.255 -4.614 1.00 0.37 C ATOM 1267 O MET A 109 -1.249 8.454 -4.810 1.00 0.55 O ATOM 1268 CB MET A 109 -0.770 6.523 -2.327 1.00 0.43 C ATOM 1269 CG MET A 109 0.190 5.719 -1.465 1.00 0.77 C ATOM 1270 SD MET A 109 -0.420 5.465 0.213 1.00 1.28 S ATOM 1271 CE MET A 109 -1.887 4.492 -0.120 1.00 2.22 C ATOM 0 H MET A 109 1.072 7.876 -3.687 1.00 0.31 H new ATOM 0 HA MET A 109 -0.503 5.406 -4.118 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.749 7.565 -2.006 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.785 6.159 -2.164 1.00 0.43 H new ATOM 0 HG2 MET A 109 0.366 4.750 -1.933 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.151 6.233 -1.423 1.00 0.77 H new ATOM 0 HE1 MET A 109 -2.020 3.752 0.669 1.00 2.22 H new ATOM 0 HE2 MET A 109 -2.758 5.147 -0.153 1.00 2.22 H new ATOM 0 HE3 MET A 109 -1.777 3.985 -1.079 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.475 6.611 -5.102 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.444 7.310 -5.903 1.00 0.30 C ATOM 1283 C LYS A 110 -4.815 6.724 -5.702 1.00 0.24 C ATOM 1284 O LYS A 110 -4.990 5.507 -5.687 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.063 7.292 -7.387 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.990 5.903 -8.002 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.812 5.972 -9.510 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.876 4.594 -10.145 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.830 4.669 -11.628 1.00 1.73 N ATOM 0 H LYS A 110 -2.664 5.619 -4.960 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.457 8.350 -5.577 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.790 7.884 -7.943 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.096 7.780 -7.507 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.160 5.352 -7.561 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.900 5.351 -7.767 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.587 6.607 -9.940 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.854 6.436 -9.743 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.044 3.989 -9.785 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.793 4.092 -9.834 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.876 3.709 -12.026 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -3.638 5.226 -11.973 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.944 5.125 -11.925 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.769 7.604 -5.514 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.144 7.233 -5.443 1.00 0.22 C ATOM 1305 C LYS A 111 -7.552 6.471 -6.697 1.00 0.22 C ATOM 1306 O LYS A 111 -7.581 7.020 -7.800 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.917 8.520 -5.285 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.423 8.396 -5.363 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.053 9.764 -5.224 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.556 9.725 -5.410 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.148 11.085 -5.335 1.00 1.78 N ATOM 0 H LYS A 111 -5.601 8.604 -5.406 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.345 6.565 -4.605 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.657 8.963 -4.323 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.588 9.217 -6.056 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.712 7.946 -6.313 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.785 7.736 -4.575 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.821 10.170 -4.239 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.615 10.440 -5.959 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.793 9.276 -6.375 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -12.002 9.090 -4.645 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.184 11.010 -5.279 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -11.790 11.573 -4.490 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.886 11.625 -6.184 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.827 5.188 -6.503 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.106 4.277 -7.595 1.00 0.26 C ATOM 1327 C ALA A 112 -9.376 4.675 -8.320 1.00 0.38 C ATOM 1328 O ALA A 112 -10.327 5.171 -7.706 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.224 2.852 -7.081 1.00 0.33 C ATOM 0 H ALA A 112 -7.862 4.753 -5.581 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.276 4.331 -8.299 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.434 2.181 -7.914 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.288 2.558 -6.605 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.035 2.793 -6.355 1.00 0.33 H new ATOM 1335 N LEU A 113 -9.397 4.443 -9.621 1.00 0.47 N ATOM 1336 CA LEU A 113 -10.555 4.778 -10.440 1.00 0.64 C ATOM 1337 C LEU A 113 -11.742 3.880 -10.091 1.00 0.76 C ATOM 1338 O LEU A 113 -12.855 4.082 -10.581 1.00 0.96 O ATOM 1339 CB LEU A 113 -10.207 4.636 -11.921 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.003 5.461 -12.387 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -8.675 5.159 -13.840 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -9.267 6.948 -12.195 1.00 2.39 C ATOM 0 H LEU A 113 -8.624 4.023 -10.137 1.00 0.47 H new ATOM 0 HA LEU A 113 -10.834 5.812 -10.237 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -10.012 3.585 -12.133 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -11.076 4.924 -12.512 1.00 0.76 H new ATOM 0 HG LEU A 113 -8.142 5.184 -11.778 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -7.817 5.755 -14.151 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -8.439 4.100 -13.947 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -9.533 5.405 -14.465 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -8.401 7.518 -12.532 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -10.142 7.240 -12.776 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.448 7.152 -11.140 1.00 2.39 H new ATOM 1354 N SER A 114 -11.487 2.890 -9.240 1.00 0.73 N ATOM 1355 CA SER A 114 -12.525 1.998 -8.745 1.00 0.92 C ATOM 1356 C SER A 114 -13.464 2.740 -7.795 1.00 0.93 C ATOM 1357 O SER A 114 -14.643 2.406 -7.682 1.00 1.27 O ATOM 1358 CB SER A 114 -11.881 0.814 -8.027 1.00 1.04 C ATOM 1359 OG SER A 114 -10.819 0.272 -8.798 1.00 1.66 O ATOM 0 H SER A 114 -10.556 2.686 -8.876 1.00 0.73 H new ATOM 0 HA SER A 114 -13.110 1.635 -9.590 1.00 0.92 H new ATOM 0 HB2 SER A 114 -11.504 1.134 -7.055 1.00 1.04 H new ATOM 0 HB3 SER A 114 -12.630 0.045 -7.841 1.00 1.04 H new ATOM 0 HG SER A 114 -10.420 -0.484 -8.319 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.930 3.748 -7.113 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.748 4.571 -6.248 1.00 0.79 C ATOM 1367 C GLY A 115 -13.354 4.471 -4.786 1.00 0.78 C ATOM 1368 O GLY A 115 -12.834 5.427 -4.215 1.00 1.52 O ATOM 0 H GLY A 115 -11.944 4.008 -7.145 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.674 5.610 -6.568 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.792 4.278 -6.358 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.581 3.308 -4.184 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.398 3.138 -2.740 1.00 0.85 C ATOM 1374 C ASP A 116 -12.028 2.581 -2.416 1.00 0.80 C ATOM 1375 O ASP A 116 -11.796 2.042 -1.335 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.472 2.210 -2.158 1.00 1.25 C ATOM 1377 CG ASP A 116 -15.874 2.771 -2.268 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -16.506 3.028 -1.223 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -16.349 2.969 -3.405 1.00 2.79 O ATOM 0 H ASP A 116 -13.892 2.467 -4.670 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.490 4.126 -2.288 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -14.431 1.250 -2.674 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.246 2.018 -1.109 1.00 1.25 H new ATOM 1384 N SER A 117 -11.117 2.773 -3.329 1.00 0.42 N ATOM 1385 CA SER A 117 -9.800 2.187 -3.224 1.00 0.29 C ATOM 1386 C SER A 117 -8.712 3.198 -3.552 1.00 0.22 C ATOM 1387 O SER A 117 -8.962 4.204 -4.217 1.00 0.25 O ATOM 1388 CB SER A 117 -9.698 0.962 -4.124 1.00 0.34 C ATOM 1389 OG SER A 117 -10.272 1.202 -5.398 1.00 0.44 O ATOM 0 H SER A 117 -11.261 3.337 -4.166 1.00 0.42 H new ATOM 0 HA SER A 117 -9.648 1.874 -2.191 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.651 0.683 -4.243 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.201 0.119 -3.651 1.00 0.34 H new ATOM 0 HG SER A 117 -9.799 0.674 -6.075 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.518 2.934 -3.053 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.366 3.795 -3.275 1.00 0.19 C ATOM 1397 C TYR A 118 -5.123 2.935 -3.479 1.00 0.20 C ATOM 1398 O TYR A 118 -4.896 1.981 -2.738 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.167 4.731 -2.077 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.409 5.479 -1.662 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.199 5.024 -0.624 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.781 6.643 -2.312 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.336 5.710 -0.238 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.916 7.339 -1.936 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.703 6.850 -0.902 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.820 7.551 -0.510 1.00 0.42 O ATOM 0 H TYR A 118 -7.317 2.114 -2.480 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.536 4.401 -4.165 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.809 4.147 -1.230 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.387 5.452 -2.320 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.924 4.117 -0.105 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.176 7.014 -3.126 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.933 5.347 0.585 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.187 8.254 -2.442 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.702 7.865 0.411 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.315 3.261 -4.478 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.165 2.448 -4.799 1.00 0.22 C ATOM 1418 C TRP A 119 -1.995 2.807 -3.915 1.00 0.25 C ATOM 1419 O TRP A 119 -1.974 3.862 -3.290 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.720 2.675 -6.234 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.666 2.232 -7.299 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.871 2.781 -7.625 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.445 1.167 -8.220 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.421 2.102 -8.688 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.563 1.104 -9.068 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.412 0.250 -8.397 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.670 0.162 -10.086 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.513 -0.680 -9.400 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.636 -0.724 -10.237 1.00 0.42 C ATOM 0 H TRP A 119 -4.439 4.080 -5.074 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.462 1.410 -4.650 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.529 3.740 -6.368 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.771 2.159 -6.383 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.326 3.623 -7.124 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.321 2.308 -9.122 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.544 0.271 -7.754 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.535 0.130 -10.732 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.713 -1.391 -9.547 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.687 -1.470 -11.016 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.021 1.928 -3.898 1.00 0.28 N ATOM 1441 CA VAL A 120 0.229 2.178 -3.234 1.00 0.32 C ATOM 1442 C VAL A 120 1.424 1.680 -4.079 1.00 0.34 C ATOM 1443 O VAL A 120 1.783 0.503 -4.090 1.00 0.43 O ATOM 1444 CB VAL A 120 0.187 1.652 -2.018 1.00 0.38 C ATOM 1445 CG1 VAL A 120 0.042 0.134 -2.014 1.00 0.56 C ATOM 1446 CG2 VAL A 120 1.360 2.107 -1.164 1.00 0.62 C ATOM 0 H VAL A 120 -1.077 1.015 -4.348 1.00 0.28 H new ATOM 0 HA VAL A 120 0.383 3.251 -3.124 1.00 0.32 H new ATOM 0 HB VAL A 120 -0.725 2.038 -1.563 1.00 0.38 H new ATOM 0 HG11 VAL A 120 0.015 -0.226 -0.986 1.00 0.56 H new ATOM 0 HG12 VAL A 120 -0.882 -0.145 -2.521 1.00 0.56 H new ATOM 0 HG13 VAL A 120 0.890 -0.314 -2.533 1.00 0.56 H new ATOM 0 HG21 VAL A 120 1.288 1.653 -0.175 1.00 0.62 H new ATOM 0 HG22 VAL A 120 2.294 1.802 -1.636 1.00 0.62 H new ATOM 0 HG23 VAL A 120 1.340 3.193 -1.067 1.00 0.62 H new ATOM 1456 N PHE A 121 2.028 2.603 -4.813 1.00 0.34 N ATOM 1457 CA PHE A 121 3.204 2.292 -5.614 1.00 0.42 C ATOM 1458 C PHE A 121 4.446 2.438 -4.751 1.00 0.40 C ATOM 1459 O PHE A 121 4.888 3.558 -4.478 1.00 0.49 O ATOM 1460 CB PHE A 121 3.323 3.228 -6.822 1.00 0.61 C ATOM 1461 CG PHE A 121 2.274 3.046 -7.889 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.929 3.169 -7.575 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.624 2.741 -9.195 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.044 2.993 -8.541 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.656 2.567 -10.165 1.00 1.49 C ATOM 1466 CZ PHE A 121 0.355 2.729 -9.877 1.00 1.45 C ATOM 0 H PHE A 121 1.723 3.575 -4.871 1.00 0.34 H new ATOM 0 HA PHE A 121 3.107 1.270 -5.980 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.281 4.258 -6.467 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.305 3.087 -7.274 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.638 3.405 -6.562 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.667 2.638 -9.458 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.091 3.055 -8.283 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.950 2.297 -11.169 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.386 2.659 -10.660 1.00 1.45 H new ATOM 1476 N VAL A 122 4.988 1.320 -4.304 1.00 0.49 N ATOM 1477 CA VAL A 122 6.172 1.343 -3.461 1.00 0.61 C ATOM 1478 C VAL A 122 7.428 1.024 -4.256 1.00 0.73 C ATOM 1479 O VAL A 122 7.370 0.396 -5.316 1.00 0.95 O ATOM 1480 CB VAL A 122 6.080 0.514 -2.430 1.00 0.77 C ATOM 1481 CG1 VAL A 122 4.992 0.975 -1.470 1.00 1.61 C ATOM 1482 CG2 VAL A 122 5.832 -0.922 -2.874 1.00 1.52 C ATOM 0 H VAL A 122 4.630 0.387 -4.509 1.00 0.49 H new ATOM 0 HA VAL A 122 6.241 2.359 -3.072 1.00 0.61 H new ATOM 0 HB VAL A 122 7.038 0.531 -1.910 1.00 0.77 H new ATOM 0 HG11 VAL A 122 4.931 0.283 -0.630 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.231 1.973 -1.101 1.00 1.61 H new ATOM 0 HG13 VAL A 122 4.034 1.000 -1.990 1.00 1.61 H new ATOM 0 HG21 VAL A 122 5.763 -1.567 -1.998 1.00 1.52 H new ATOM 0 HG22 VAL A 122 4.900 -0.973 -3.436 1.00 1.52 H new ATOM 0 HG23 VAL A 122 6.655 -1.255 -3.506 1.00 1.52 H new ATOM 1492 N LYS A 123 8.555 1.524 -3.779 1.00 0.76 N ATOM 1493 CA LYS A 123 9.831 1.258 -4.409 1.00 0.97 C ATOM 1494 C LYS A 123 10.952 1.497 -3.414 1.00 1.04 C ATOM 1495 O LYS A 123 10.819 2.323 -2.524 1.00 1.02 O ATOM 1496 CB LYS A 123 10.013 2.154 -5.641 1.00 1.11 C ATOM 1497 CG LYS A 123 11.226 1.800 -6.488 1.00 1.66 C ATOM 1498 CD LYS A 123 11.073 0.436 -7.149 1.00 2.03 C ATOM 1499 CE LYS A 123 9.972 0.442 -8.199 1.00 2.74 C ATOM 1500 NZ LYS A 123 9.886 -0.856 -8.919 1.00 3.45 N ATOM 0 H LYS A 123 8.609 2.119 -2.953 1.00 0.76 H new ATOM 0 HA LYS A 123 9.858 0.217 -4.733 1.00 0.97 H new ATOM 0 HB2 LYS A 123 9.118 2.089 -6.260 1.00 1.11 H new ATOM 0 HB3 LYS A 123 10.100 3.190 -5.315 1.00 1.11 H new ATOM 0 HG2 LYS A 123 11.370 2.562 -7.254 1.00 1.66 H new ATOM 0 HG3 LYS A 123 12.119 1.804 -5.864 1.00 1.66 H new ATOM 0 HD2 LYS A 123 12.017 0.148 -7.612 1.00 2.03 H new ATOM 0 HD3 LYS A 123 10.849 -0.313 -6.390 1.00 2.03 H new ATOM 0 HE2 LYS A 123 9.016 0.656 -7.721 1.00 2.74 H new ATOM 0 HE3 LYS A 123 10.157 1.243 -8.915 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 9.844 -0.683 -9.944 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 10.724 -1.431 -8.699 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 9.029 -1.364 -8.619 1.00 3.45 H new ATOM 1514 N ARG A 124 12.033 0.756 -3.550 1.00 1.23 N ATOM 1515 CA ARG A 124 13.218 0.987 -2.739 1.00 1.40 C ATOM 1516 C ARG A 124 14.444 1.083 -3.642 1.00 1.63 C ATOM 1517 O ARG A 124 14.703 0.191 -4.455 1.00 1.81 O ATOM 1518 CB ARG A 124 13.388 -0.111 -1.680 1.00 1.65 C ATOM 1519 CG ARG A 124 13.308 -1.527 -2.226 1.00 1.97 C ATOM 1520 CD ARG A 124 13.606 -2.560 -1.149 1.00 2.31 C ATOM 1521 NE ARG A 124 12.646 -2.519 -0.042 1.00 2.83 N ATOM 1522 CZ ARG A 124 12.988 -2.618 1.245 1.00 3.38 C ATOM 1523 NH1 ARG A 124 14.269 -2.732 1.589 1.00 3.50 N ATOM 1524 NH2 ARG A 124 12.049 -2.614 2.186 1.00 4.23 N ATOM 0 H ARG A 124 12.118 -0.013 -4.215 1.00 1.23 H new ATOM 0 HA ARG A 124 13.102 1.930 -2.205 1.00 1.40 H new ATOM 0 HB2 ARG A 124 14.351 0.022 -1.188 1.00 1.65 H new ATOM 0 HB3 ARG A 124 12.620 0.015 -0.917 1.00 1.65 H new ATOM 0 HG2 ARG A 124 12.314 -1.704 -2.636 1.00 1.97 H new ATOM 0 HG3 ARG A 124 14.016 -1.642 -3.047 1.00 1.97 H new ATOM 0 HD2 ARG A 124 13.598 -3.555 -1.594 1.00 2.31 H new ATOM 0 HD3 ARG A 124 14.610 -2.393 -0.760 1.00 2.31 H new ATOM 0 HE ARG A 124 11.658 -2.408 -0.268 1.00 2.83 H new ATOM 0 HH11 ARG A 124 14.991 -2.744 0.869 1.00 3.50 H new ATOM 0 HH12 ARG A 124 14.528 -2.807 2.573 1.00 3.50 H new ATOM 0 HH21 ARG A 124 11.066 -2.535 1.925 1.00 4.23 H new ATOM 0 HH22 ARG A 124 12.311 -2.690 3.169 1.00 4.23 H new ATOM 1538 N VAL A 125 15.174 2.182 -3.517 1.00 1.80 N ATOM 1539 CA VAL A 125 16.303 2.458 -4.394 1.00 2.18 C ATOM 1540 C VAL A 125 17.623 2.224 -3.667 1.00 2.76 C ATOM 1541 O VAL A 125 18.306 1.222 -3.979 1.00 3.34 O ATOM 1542 CB VAL A 125 16.268 3.704 -4.850 1.00 2.48 C ATOM 1543 CG1 VAL A 125 17.404 3.952 -5.839 1.00 3.01 C ATOM 1544 CG2 VAL A 125 14.923 4.023 -5.488 1.00 3.14 C ATOM 1545 OXT VAL A 125 17.965 3.030 -2.778 1.00 3.27 O ATOM 0 H VAL A 125 15.003 2.900 -2.813 1.00 1.80 H new ATOM 0 HA VAL A 125 16.230 1.773 -5.239 1.00 2.18 H new ATOM 0 HB VAL A 125 16.401 4.371 -3.998 1.00 2.48 H new ATOM 0 HG11 VAL A 125 17.355 4.980 -6.199 1.00 3.01 H new ATOM 0 HG12 VAL A 125 18.361 3.787 -5.343 1.00 3.01 H new ATOM 0 HG13 VAL A 125 17.309 3.267 -6.682 1.00 3.01 H new ATOM 0 HG21 VAL A 125 14.927 5.051 -5.851 1.00 3.14 H new ATOM 0 HG22 VAL A 125 14.746 3.344 -6.322 1.00 3.14 H new ATOM 0 HG23 VAL A 125 14.132 3.903 -4.748 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 -3.370 -3.123 21.977 1.00 12.02 C HETATM 1557 O1 HC4 A 169 -4.090 -2.442 22.687 1.00 12.16 O HETATM 1558 C2 HC4 A 169 -1.825 -3.197 22.049 1.00 12.51 C HETATM 1559 C3 HC4 A 169 -1.009 -2.538 22.898 1.00 13.15 C HETATM 1560 C1' HC4 A 169 -1.302 -1.651 24.028 1.00 13.58 C HETATM 1561 C2' HC4 A 169 -0.235 -1.124 24.751 1.00 14.40 C HETATM 1562 C3' HC4 A 169 -0.433 -0.268 25.817 1.00 14.99 C HETATM 1563 C4' HC4 A 169 -1.711 0.081 26.179 1.00 14.81 C HETATM 1564 C5' HC4 A 169 -2.786 -0.417 25.484 1.00 14.03 C HETATM 1565 C6' HC4 A 169 -2.578 -1.271 24.418 1.00 13.40 C HETATM 1566 O4' HC4 A 169 -1.916 0.933 27.238 1.00 15.56 O HETATM 0 HO4' HC4 A 169 -2.878 1.078 27.360 1.00 15.56 H new HETATM 0 H6' HC4 A 169 -3.438 -1.656 23.870 1.00 13.40 H new HETATM 0 H5' HC4 A 169 -3.800 -0.139 25.773 1.00 14.03 H new HETATM 0 H3' HC4 A 169 0.420 0.128 26.368 1.00 14.99 H new HETATM 0 H3 HC4 A 169 0.054 -2.692 22.711 1.00 13.15 H new HETATM 0 H2' HC4 A 169 0.783 -1.394 24.469 1.00 14.40 H new HETATM 0 H2 HC4 A 169 -1.340 -3.858 21.331 1.00 12.51 H new