USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 THR OG1 : rot -93:sc= 1.21 USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.583 K(o=0.91,f=-0.52) USER MOD Set 2.2: A 55 LYS NZ :NH3+ 177:sc= 1.5 (180deg=1.09) USER MOD Set 3.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 3 MET CE :methyl 180:sc=-0.00143 (180deg=0) USER MOD Set 4.2: A 4 THR OG1 : rot 34:sc= 0.118 USER MOD Set 4.3: A 72 SER OG : rot 58:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.00304 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.418 K(o=0.42,f=-1.6) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 88:sc= 0.0102 USER MOD Single : A 22 THR OG1 : rot 126:sc= 1.05 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-2.9!) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= 1.33 (180deg=1.17) USER MOD Single : A 32 GLN : amide:sc= -0.0487 X(o=-0.049,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.15) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0308) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.06) USER MOD Single : A 50 MET CE :methyl -153:sc= -0.963 (180deg=-2.26) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= -0.206 (180deg=-0.806) USER MOD Single : A 56 SER OG : rot -129:sc= 0.988 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00615) USER MOD Single : A 79 SER OG : rot 165:sc= 0.857 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -122:sc= 0.179 (180deg=-2.13!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.228 -2.122 12.276 1.00 3.90 N ATOM 2 CA MET A 1 4.441 -1.461 12.812 1.00 2.70 C ATOM 3 C MET A 1 5.553 -2.495 12.921 1.00 1.80 C ATOM 4 O MET A 1 5.294 -3.543 13.498 1.00 2.89 O ATOM 5 CB MET A 1 4.140 -0.775 14.156 1.00 2.80 C ATOM 6 CG MET A 1 5.318 0.052 14.688 1.00 3.64 C ATOM 7 SD MET A 1 4.830 1.194 16.009 1.00 4.78 S ATOM 8 CE MET A 1 6.394 2.064 16.300 1.00 6.33 C ATOM 0 H1 MET A 1 2.389 -1.558 12.521 1.00 3.90 H new ATOM 0 H2 MET A 1 3.303 -2.200 11.242 1.00 3.90 H new ATOM 0 H3 MET A 1 3.139 -3.072 12.689 1.00 3.90 H new ATOM 0 HA MET A 1 4.770 -0.673 12.135 1.00 2.70 H new ATOM 0 HB2 MET A 1 3.272 -0.126 14.039 1.00 2.80 H new ATOM 0 HB3 MET A 1 3.874 -1.533 14.893 1.00 2.80 H new ATOM 0 HG2 MET A 1 6.090 -0.621 15.062 1.00 3.64 H new ATOM 0 HG3 MET A 1 5.759 0.619 13.868 1.00 3.64 H new ATOM 0 HE1 MET A 1 6.258 2.804 17.089 1.00 6.33 H new ATOM 0 HE2 MET A 1 7.158 1.348 16.602 1.00 6.33 H new ATOM 0 HE3 MET A 1 6.708 2.565 15.384 1.00 6.33 H new ATOM 20 N SER A 2 6.716 -2.224 12.306 1.00 1.10 N ATOM 21 CA SER A 2 7.919 -3.086 12.205 1.00 1.35 C ATOM 22 C SER A 2 7.907 -4.001 10.967 1.00 1.12 C ATOM 23 O SER A 2 8.275 -5.174 11.044 1.00 1.08 O ATOM 24 CB SER A 2 8.230 -3.876 13.491 1.00 2.47 C ATOM 25 OG SER A 2 8.348 -2.990 14.587 1.00 3.21 O ATOM 0 H SER A 2 6.857 -1.333 11.830 1.00 1.10 H new ATOM 0 HA SER A 2 8.742 -2.384 12.074 1.00 1.35 H new ATOM 0 HB2 SER A 2 7.439 -4.601 13.682 1.00 2.47 H new ATOM 0 HB3 SER A 2 9.155 -4.439 13.367 1.00 2.47 H new ATOM 0 HG SER A 2 8.544 -3.500 15.400 1.00 3.21 H new ATOM 31 N MET A 3 7.511 -3.461 9.803 1.00 1.13 N ATOM 32 CA MET A 3 7.429 -4.190 8.525 1.00 1.20 C ATOM 33 C MET A 3 8.695 -4.996 8.166 1.00 1.43 C ATOM 34 O MET A 3 8.590 -6.118 7.680 1.00 3.03 O ATOM 35 CB MET A 3 6.965 -3.248 7.393 1.00 1.20 C ATOM 36 CG MET A 3 7.806 -1.976 7.189 1.00 2.05 C ATOM 37 SD MET A 3 9.450 -2.226 6.471 1.00 4.89 S ATOM 38 CE MET A 3 10.247 -0.664 6.917 1.00 6.53 C ATOM 0 H MET A 3 7.232 -2.483 9.722 1.00 1.13 H new ATOM 0 HA MET A 3 6.668 -4.960 8.655 1.00 1.20 H new ATOM 0 HB2 MET A 3 6.959 -3.810 6.459 1.00 1.20 H new ATOM 0 HB3 MET A 3 5.935 -2.951 7.593 1.00 1.20 H new ATOM 0 HG2 MET A 3 7.249 -1.294 6.546 1.00 2.05 H new ATOM 0 HG3 MET A 3 7.923 -1.481 8.153 1.00 2.05 H new ATOM 0 HE1 MET A 3 11.272 -0.659 6.545 1.00 6.53 H new ATOM 0 HE2 MET A 3 9.696 0.165 6.473 1.00 6.53 H new ATOM 0 HE3 MET A 3 10.254 -0.556 8.002 1.00 6.53 H new ATOM 48 N THR A 4 9.876 -4.474 8.501 1.00 0.60 N ATOM 49 CA THR A 4 11.195 -5.111 8.376 1.00 0.45 C ATOM 50 C THR A 4 11.239 -6.519 8.972 1.00 0.52 C ATOM 51 O THR A 4 11.879 -7.399 8.398 1.00 0.70 O ATOM 52 CB THR A 4 12.224 -4.204 9.074 1.00 0.61 C ATOM 53 OG1 THR A 4 12.460 -3.083 8.256 1.00 0.73 O ATOM 54 CG2 THR A 4 13.580 -4.842 9.390 1.00 0.79 C ATOM 0 H THR A 4 9.945 -3.535 8.892 1.00 0.60 H new ATOM 0 HA THR A 4 11.423 -5.228 7.317 1.00 0.45 H new ATOM 0 HB THR A 4 11.777 -3.960 10.038 1.00 0.61 H new ATOM 0 HG1 THR A 4 11.636 -2.844 7.783 1.00 0.73 H new ATOM 0 HG21 THR A 4 14.221 -4.110 9.880 1.00 0.79 H new ATOM 0 HG22 THR A 4 13.435 -5.697 10.051 1.00 0.79 H new ATOM 0 HG23 THR A 4 14.050 -5.174 8.465 1.00 0.79 H new ATOM 62 N ASP A 5 10.567 -6.704 10.113 1.00 0.55 N ATOM 63 CA ASP A 5 10.559 -7.916 10.929 1.00 0.67 C ATOM 64 C ASP A 5 9.279 -8.734 10.702 1.00 0.65 C ATOM 65 O ASP A 5 9.347 -9.949 10.536 1.00 0.90 O ATOM 66 CB ASP A 5 10.700 -7.478 12.394 1.00 0.81 C ATOM 67 CG ASP A 5 10.831 -8.663 13.348 1.00 1.15 C ATOM 68 OD1 ASP A 5 11.920 -9.275 13.344 1.00 2.08 O ATOM 69 OD2 ASP A 5 9.849 -8.911 14.081 1.00 1.77 O ATOM 0 H ASP A 5 9.982 -5.969 10.511 1.00 0.55 H new ATOM 0 HA ASP A 5 11.386 -8.570 10.651 1.00 0.67 H new ATOM 0 HB2 ASP A 5 11.575 -6.836 12.495 1.00 0.81 H new ATOM 0 HB3 ASP A 5 9.832 -6.882 12.677 1.00 0.81 H new ATOM 74 N LEU A 6 8.119 -8.063 10.629 1.00 0.53 N ATOM 75 CA LEU A 6 6.832 -8.693 10.324 1.00 0.58 C ATOM 76 C LEU A 6 6.823 -9.343 8.928 1.00 0.50 C ATOM 77 O LEU A 6 6.359 -10.473 8.781 1.00 0.57 O ATOM 78 CB LEU A 6 5.706 -7.648 10.442 1.00 0.71 C ATOM 79 CG LEU A 6 5.429 -7.101 11.855 1.00 0.93 C ATOM 80 CD1 LEU A 6 4.379 -5.991 11.744 1.00 1.92 C ATOM 81 CD2 LEU A 6 4.892 -8.170 12.812 1.00 1.59 C ATOM 0 H LEU A 6 8.051 -7.057 10.782 1.00 0.53 H new ATOM 0 HA LEU A 6 6.667 -9.491 11.047 1.00 0.58 H new ATOM 0 HB2 LEU A 6 5.949 -6.808 9.791 1.00 0.71 H new ATOM 0 HB3 LEU A 6 4.786 -8.091 10.060 1.00 0.71 H new ATOM 0 HG LEU A 6 6.374 -6.738 12.258 1.00 0.93 H new ATOM 0 HD11 LEU A 6 4.168 -5.589 12.735 1.00 1.92 H new ATOM 0 HD12 LEU A 6 4.758 -5.195 11.103 1.00 1.92 H new ATOM 0 HD13 LEU A 6 3.463 -6.398 11.315 1.00 1.92 H new ATOM 0 HD21 LEU A 6 4.716 -7.726 13.792 1.00 1.59 H new ATOM 0 HD22 LEU A 6 3.957 -8.571 12.422 1.00 1.59 H new ATOM 0 HD23 LEU A 6 5.621 -8.975 12.904 1.00 1.59 H new ATOM 93 N LEU A 7 7.330 -8.640 7.904 1.00 0.54 N ATOM 94 CA LEU A 7 7.265 -9.056 6.499 1.00 0.49 C ATOM 95 C LEU A 7 8.588 -9.657 6.052 1.00 0.62 C ATOM 96 O LEU A 7 8.624 -10.857 5.795 1.00 1.39 O ATOM 97 CB LEU A 7 6.850 -7.896 5.564 1.00 0.56 C ATOM 98 CG LEU A 7 5.400 -7.389 5.624 1.00 0.65 C ATOM 99 CD1 LEU A 7 4.445 -8.398 4.995 1.00 2.25 C ATOM 100 CD2 LEU A 7 4.926 -7.046 7.031 1.00 1.99 C ATOM 0 H LEU A 7 7.806 -7.748 8.035 1.00 0.54 H new ATOM 0 HA LEU A 7 6.491 -9.820 6.428 1.00 0.49 H new ATOM 0 HB2 LEU A 7 7.506 -7.051 5.773 1.00 0.56 H new ATOM 0 HB3 LEU A 7 7.050 -8.209 4.539 1.00 0.56 H new ATOM 0 HG LEU A 7 5.393 -6.461 5.053 1.00 0.65 H new ATOM 0 HD11 LEU A 7 3.425 -8.017 5.050 1.00 2.25 H new ATOM 0 HD12 LEU A 7 4.718 -8.556 3.952 1.00 2.25 H new ATOM 0 HD13 LEU A 7 4.508 -9.343 5.534 1.00 2.25 H new ATOM 0 HD21 LEU A 7 3.895 -6.696 6.992 1.00 1.99 H new ATOM 0 HD22 LEU A 7 4.984 -7.934 7.661 1.00 1.99 H new ATOM 0 HD23 LEU A 7 5.560 -6.263 7.448 1.00 1.99 H new ATOM 112 N ASN A 8 9.618 -8.805 5.951 1.00 0.42 N ATOM 113 CA ASN A 8 10.958 -9.004 5.386 1.00 0.39 C ATOM 114 C ASN A 8 11.451 -7.703 4.725 1.00 0.36 C ATOM 115 O ASN A 8 10.902 -7.286 3.702 1.00 0.42 O ATOM 116 CB ASN A 8 11.024 -10.111 4.311 1.00 0.49 C ATOM 117 CG ASN A 8 11.198 -11.536 4.807 1.00 0.70 C ATOM 118 OD1 ASN A 8 11.777 -11.803 5.849 1.00 1.30 O ATOM 119 ND2 ASN A 8 10.751 -12.489 4.015 1.00 1.46 N ATOM 0 H ASN A 8 9.520 -7.853 6.303 1.00 0.42 H new ATOM 0 HA ASN A 8 11.583 -9.303 6.227 1.00 0.39 H new ATOM 0 HB2 ASN A 8 10.109 -10.066 3.720 1.00 0.49 H new ATOM 0 HB3 ASN A 8 11.850 -9.882 3.638 1.00 0.49 H new ATOM 0 HD21 ASN A 8 10.886 -13.468 4.268 1.00 1.46 H new ATOM 0 HD22 ASN A 8 10.270 -12.248 3.149 1.00 1.46 H new ATOM 126 N ALA A 9 12.528 -7.096 5.238 1.00 0.35 N ATOM 127 CA ALA A 9 13.177 -5.954 4.576 1.00 0.36 C ATOM 128 C ALA A 9 13.604 -6.230 3.115 1.00 0.31 C ATOM 129 O ALA A 9 13.465 -5.346 2.271 1.00 0.33 O ATOM 130 CB ALA A 9 14.368 -5.491 5.416 1.00 0.46 C ATOM 0 H ALA A 9 12.971 -7.377 6.113 1.00 0.35 H new ATOM 0 HA ALA A 9 12.431 -5.162 4.509 1.00 0.36 H new ATOM 0 HB1 ALA A 9 14.851 -4.645 4.927 1.00 0.46 H new ATOM 0 HB2 ALA A 9 14.021 -5.190 6.404 1.00 0.46 H new ATOM 0 HB3 ALA A 9 15.082 -6.308 5.516 1.00 0.46 H new ATOM 136 N GLU A 10 14.076 -7.445 2.794 1.00 0.32 N ATOM 137 CA GLU A 10 14.397 -7.870 1.419 1.00 0.38 C ATOM 138 C GLU A 10 13.191 -7.761 0.479 1.00 0.39 C ATOM 139 O GLU A 10 13.270 -7.163 -0.599 1.00 0.57 O ATOM 140 CB GLU A 10 14.905 -9.323 1.423 1.00 0.49 C ATOM 141 CG GLU A 10 16.424 -9.381 1.595 1.00 1.25 C ATOM 142 CD GLU A 10 16.917 -10.830 1.553 1.00 1.85 C ATOM 143 OE1 GLU A 10 17.223 -11.298 0.432 1.00 3.07 O ATOM 144 OE2 GLU A 10 16.979 -11.447 2.639 1.00 2.11 O ATOM 0 H GLU A 10 14.248 -8.170 3.490 1.00 0.32 H new ATOM 0 HA GLU A 10 15.172 -7.198 1.049 1.00 0.38 H new ATOM 0 HB2 GLU A 10 14.424 -9.876 2.230 1.00 0.49 H new ATOM 0 HB3 GLU A 10 14.624 -9.811 0.490 1.00 0.49 H new ATOM 0 HG2 GLU A 10 16.907 -8.804 0.806 1.00 1.25 H new ATOM 0 HG3 GLU A 10 16.706 -8.923 2.543 1.00 1.25 H new ATOM 151 N ASP A 11 12.065 -8.329 0.905 1.00 0.30 N ATOM 152 CA ASP A 11 10.825 -8.338 0.142 1.00 0.30 C ATOM 153 C ASP A 11 10.297 -6.895 -0.002 1.00 0.29 C ATOM 154 O ASP A 11 9.952 -6.473 -1.107 1.00 0.31 O ATOM 155 CB ASP A 11 9.828 -9.310 0.800 1.00 0.31 C ATOM 156 CG ASP A 11 10.311 -10.768 0.926 1.00 0.70 C ATOM 157 OD1 ASP A 11 11.294 -11.138 0.250 1.00 2.05 O ATOM 158 OD2 ASP A 11 9.695 -11.515 1.723 1.00 1.64 O ATOM 0 H ASP A 11 11.990 -8.803 1.805 1.00 0.30 H new ATOM 0 HA ASP A 11 10.988 -8.704 -0.872 1.00 0.30 H new ATOM 0 HB2 ASP A 11 9.587 -8.938 1.796 1.00 0.31 H new ATOM 0 HB3 ASP A 11 8.903 -9.300 0.224 1.00 0.31 H new ATOM 163 N ILE A 12 10.338 -6.093 1.076 1.00 0.28 N ATOM 164 CA ILE A 12 10.062 -4.644 1.061 1.00 0.29 C ATOM 165 C ILE A 12 10.956 -3.873 0.083 1.00 0.27 C ATOM 166 O ILE A 12 10.446 -3.009 -0.634 1.00 0.29 O ATOM 167 CB ILE A 12 10.091 -4.067 2.500 1.00 0.35 C ATOM 168 CG1 ILE A 12 8.673 -4.020 3.111 1.00 0.48 C ATOM 169 CG2 ILE A 12 10.663 -2.652 2.613 1.00 0.48 C ATOM 170 CD1 ILE A 12 8.299 -5.347 3.754 1.00 0.55 C ATOM 0 H ILE A 12 10.570 -6.442 2.006 1.00 0.28 H new ATOM 0 HA ILE A 12 9.051 -4.507 0.676 1.00 0.29 H new ATOM 0 HB ILE A 12 10.750 -4.749 3.037 1.00 0.35 H new ATOM 0 HG12 ILE A 12 8.623 -3.226 3.856 1.00 0.48 H new ATOM 0 HG13 ILE A 12 7.949 -3.774 2.334 1.00 0.48 H new ATOM 0 HG21 ILE A 12 10.643 -2.333 3.655 1.00 0.48 H new ATOM 0 HG22 ILE A 12 11.691 -2.645 2.252 1.00 0.48 H new ATOM 0 HG23 ILE A 12 10.063 -1.968 2.013 1.00 0.48 H new ATOM 0 HD11 ILE A 12 7.295 -5.278 4.174 1.00 0.55 H new ATOM 0 HD12 ILE A 12 8.324 -6.136 3.002 1.00 0.55 H new ATOM 0 HD13 ILE A 12 9.009 -5.580 4.548 1.00 0.55 H new ATOM 182 N LYS A 13 12.256 -4.188 -0.006 1.00 0.29 N ATOM 183 CA LYS A 13 13.154 -3.605 -1.010 1.00 0.34 C ATOM 184 C LYS A 13 12.590 -3.810 -2.424 1.00 0.35 C ATOM 185 O LYS A 13 12.489 -2.846 -3.187 1.00 0.44 O ATOM 186 CB LYS A 13 14.597 -4.122 -0.788 1.00 0.42 C ATOM 187 CG LYS A 13 15.458 -4.310 -2.046 1.00 1.19 C ATOM 188 CD LYS A 13 15.700 -3.011 -2.842 1.00 1.95 C ATOM 189 CE LYS A 13 15.326 -3.178 -4.320 1.00 3.31 C ATOM 190 NZ LYS A 13 16.410 -3.806 -5.110 1.00 3.93 N ATOM 0 H LYS A 13 12.713 -4.854 0.616 1.00 0.29 H new ATOM 0 HA LYS A 13 13.213 -2.523 -0.893 1.00 0.34 H new ATOM 0 HB2 LYS A 13 15.110 -3.427 -0.124 1.00 0.42 H new ATOM 0 HB3 LYS A 13 14.541 -5.078 -0.267 1.00 0.42 H new ATOM 0 HG2 LYS A 13 16.421 -4.730 -1.755 1.00 1.19 H new ATOM 0 HG3 LYS A 13 14.976 -5.039 -2.698 1.00 1.19 H new ATOM 0 HD2 LYS A 13 15.113 -2.202 -2.407 1.00 1.95 H new ATOM 0 HD3 LYS A 13 16.748 -2.724 -2.761 1.00 1.95 H new ATOM 0 HE2 LYS A 13 14.425 -3.786 -4.397 1.00 3.31 H new ATOM 0 HE3 LYS A 13 15.089 -2.202 -4.744 1.00 3.31 H new ATOM 0 HZ1 LYS A 13 16.109 -3.897 -6.101 1.00 3.93 H new ATOM 0 HZ2 LYS A 13 17.264 -3.214 -5.060 1.00 3.93 H new ATOM 0 HZ3 LYS A 13 16.620 -4.749 -4.724 1.00 3.93 H new ATOM 204 N LYS A 14 12.206 -5.042 -2.780 1.00 0.33 N ATOM 205 CA LYS A 14 11.552 -5.330 -4.069 1.00 0.39 C ATOM 206 C LYS A 14 10.178 -4.668 -4.210 1.00 0.39 C ATOM 207 O LYS A 14 9.836 -4.228 -5.304 1.00 0.46 O ATOM 208 CB LYS A 14 11.478 -6.850 -4.301 1.00 0.46 C ATOM 209 CG LYS A 14 12.560 -7.289 -5.298 1.00 1.01 C ATOM 210 CD LYS A 14 12.493 -8.794 -5.576 1.00 1.70 C ATOM 211 CE LYS A 14 13.450 -9.151 -6.720 1.00 2.30 C ATOM 212 NZ LYS A 14 13.426 -10.603 -7.015 1.00 3.26 N ATOM 0 H LYS A 14 12.337 -5.864 -2.190 1.00 0.33 H new ATOM 0 HA LYS A 14 12.171 -4.886 -4.849 1.00 0.39 H new ATOM 0 HB2 LYS A 14 11.610 -7.376 -3.356 1.00 0.46 H new ATOM 0 HB3 LYS A 14 10.493 -7.119 -4.681 1.00 0.46 H new ATOM 0 HG2 LYS A 14 12.439 -6.740 -6.232 1.00 1.01 H new ATOM 0 HG3 LYS A 14 13.544 -7.035 -4.904 1.00 1.01 H new ATOM 0 HD2 LYS A 14 12.760 -9.352 -4.678 1.00 1.70 H new ATOM 0 HD3 LYS A 14 11.474 -9.080 -5.838 1.00 1.70 H new ATOM 0 HE2 LYS A 14 13.174 -8.592 -7.614 1.00 2.30 H new ATOM 0 HE3 LYS A 14 14.463 -8.849 -6.456 1.00 2.30 H new ATOM 0 HZ1 LYS A 14 14.084 -10.810 -7.793 1.00 3.26 H new ATOM 0 HZ2 LYS A 14 13.713 -11.134 -6.168 1.00 3.26 H new ATOM 0 HZ3 LYS A 14 12.464 -10.885 -7.291 1.00 3.26 H new ATOM 226 N ALA A 15 9.422 -4.553 -3.119 1.00 0.36 N ATOM 227 CA ALA A 15 8.121 -3.896 -3.063 1.00 0.41 C ATOM 228 C ALA A 15 8.190 -2.407 -3.430 1.00 0.38 C ATOM 229 O ALA A 15 7.555 -1.968 -4.390 1.00 0.39 O ATOM 230 CB ALA A 15 7.558 -4.089 -1.655 1.00 0.45 C ATOM 0 H ALA A 15 9.712 -4.930 -2.217 1.00 0.36 H new ATOM 0 HA ALA A 15 7.465 -4.350 -3.806 1.00 0.41 H new ATOM 0 HB1 ALA A 15 6.583 -3.607 -1.584 1.00 0.45 H new ATOM 0 HB2 ALA A 15 7.452 -5.154 -1.448 1.00 0.45 H new ATOM 0 HB3 ALA A 15 8.237 -3.644 -0.928 1.00 0.45 H new ATOM 236 N VAL A 16 8.986 -1.625 -2.688 1.00 0.35 N ATOM 237 CA VAL A 16 9.186 -0.194 -2.957 1.00 0.33 C ATOM 238 C VAL A 16 9.694 0.003 -4.387 1.00 0.29 C ATOM 239 O VAL A 16 9.171 0.846 -5.113 1.00 0.38 O ATOM 240 CB VAL A 16 10.145 0.432 -1.926 1.00 0.32 C ATOM 241 CG1 VAL A 16 10.389 1.922 -2.187 1.00 0.56 C ATOM 242 CG2 VAL A 16 9.587 0.332 -0.503 1.00 0.68 C ATOM 0 H VAL A 16 9.510 -1.967 -1.883 1.00 0.35 H new ATOM 0 HA VAL A 16 8.229 0.319 -2.861 1.00 0.33 H new ATOM 0 HB VAL A 16 11.073 -0.130 -2.027 1.00 0.32 H new ATOM 0 HG11 VAL A 16 11.071 2.316 -1.434 1.00 0.56 H new ATOM 0 HG12 VAL A 16 10.827 2.051 -3.177 1.00 0.56 H new ATOM 0 HG13 VAL A 16 9.442 2.460 -2.137 1.00 0.56 H new ATOM 0 HG21 VAL A 16 10.291 0.784 0.196 1.00 0.68 H new ATOM 0 HG22 VAL A 16 8.633 0.857 -0.448 1.00 0.68 H new ATOM 0 HG23 VAL A 16 9.439 -0.716 -0.243 1.00 0.68 H new ATOM 252 N GLY A 17 10.622 -0.854 -4.837 1.00 0.23 N ATOM 253 CA GLY A 17 11.165 -0.844 -6.194 1.00 0.25 C ATOM 254 C GLY A 17 10.157 -1.184 -7.302 1.00 0.31 C ATOM 255 O GLY A 17 10.519 -1.102 -8.472 1.00 0.63 O ATOM 0 H GLY A 17 11.021 -1.587 -4.251 1.00 0.23 H new ATOM 0 HA2 GLY A 17 11.582 0.143 -6.394 1.00 0.25 H new ATOM 0 HA3 GLY A 17 11.990 -1.555 -6.244 1.00 0.25 H new ATOM 259 N ALA A 18 8.915 -1.553 -6.959 1.00 0.33 N ATOM 260 CA ALA A 18 7.830 -1.812 -7.900 1.00 0.38 C ATOM 261 C ALA A 18 6.886 -0.601 -8.044 1.00 0.37 C ATOM 262 O ALA A 18 6.610 -0.180 -9.164 1.00 0.65 O ATOM 263 CB ALA A 18 7.102 -3.082 -7.444 1.00 0.49 C ATOM 0 H ALA A 18 8.635 -1.682 -5.987 1.00 0.33 H new ATOM 0 HA ALA A 18 8.235 -1.970 -8.900 1.00 0.38 H new ATOM 0 HB1 ALA A 18 6.284 -3.299 -8.131 1.00 0.49 H new ATOM 0 HB2 ALA A 18 7.801 -3.919 -7.435 1.00 0.49 H new ATOM 0 HB3 ALA A 18 6.703 -2.932 -6.441 1.00 0.49 H new ATOM 269 N PHE A 19 6.409 -0.022 -6.931 1.00 0.39 N ATOM 270 CA PHE A 19 5.586 1.203 -6.931 1.00 0.50 C ATOM 271 C PHE A 19 6.394 2.495 -7.184 1.00 0.59 C ATOM 272 O PHE A 19 5.782 3.485 -7.580 1.00 0.75 O ATOM 273 CB PHE A 19 4.886 1.349 -5.570 1.00 0.54 C ATOM 274 CG PHE A 19 3.671 0.484 -5.269 1.00 0.56 C ATOM 275 CD1 PHE A 19 2.848 -0.008 -6.299 1.00 1.72 C ATOM 276 CD2 PHE A 19 3.280 0.282 -3.927 1.00 1.65 C ATOM 277 CE1 PHE A 19 1.674 -0.706 -5.984 1.00 1.81 C ATOM 278 CE2 PHE A 19 2.108 -0.425 -3.612 1.00 1.59 C ATOM 279 CZ PHE A 19 1.311 -0.920 -4.650 1.00 0.66 C ATOM 0 H PHE A 19 6.584 -0.392 -5.997 1.00 0.39 H new ATOM 0 HA PHE A 19 4.876 1.088 -7.750 1.00 0.50 H new ATOM 0 HB2 PHE A 19 5.628 1.155 -4.796 1.00 0.54 H new ATOM 0 HB3 PHE A 19 4.582 2.391 -5.466 1.00 0.54 H new ATOM 0 HD1 PHE A 19 3.121 0.152 -7.332 1.00 1.72 H new ATOM 0 HD2 PHE A 19 3.892 0.678 -3.130 1.00 1.65 H new ATOM 0 HE1 PHE A 19 1.045 -1.082 -6.777 1.00 1.81 H new ATOM 0 HE2 PHE A 19 1.826 -0.585 -2.582 1.00 1.59 H new ATOM 0 HZ PHE A 19 0.411 -1.470 -4.420 1.00 0.66 H new ATOM 289 N SER A 20 7.724 2.532 -6.966 1.00 0.66 N ATOM 290 CA SER A 20 8.569 3.715 -7.237 1.00 0.83 C ATOM 291 C SER A 20 8.662 4.052 -8.737 1.00 0.71 C ATOM 292 O SER A 20 9.673 3.811 -9.395 1.00 0.77 O ATOM 293 CB SER A 20 9.970 3.583 -6.612 1.00 1.11 C ATOM 294 OG SER A 20 9.915 3.903 -5.233 1.00 2.34 O ATOM 0 H SER A 20 8.246 1.738 -6.595 1.00 0.66 H new ATOM 0 HA SER A 20 8.068 4.553 -6.753 1.00 0.83 H new ATOM 0 HB2 SER A 20 10.342 2.567 -6.744 1.00 1.11 H new ATOM 0 HB3 SER A 20 10.669 4.247 -7.121 1.00 1.11 H new ATOM 0 HG SER A 20 9.704 3.096 -4.718 1.00 2.34 H new ATOM 300 N ALA A 21 7.591 4.651 -9.255 1.00 0.66 N ATOM 301 CA ALA A 21 7.393 5.161 -10.608 1.00 0.69 C ATOM 302 C ALA A 21 6.528 6.440 -10.562 1.00 0.76 C ATOM 303 O ALA A 21 6.169 6.908 -9.482 1.00 1.37 O ATOM 304 CB ALA A 21 6.729 4.048 -11.429 1.00 0.85 C ATOM 0 H ALA A 21 6.762 4.805 -8.682 1.00 0.66 H new ATOM 0 HA ALA A 21 8.340 5.434 -11.074 1.00 0.69 H new ATOM 0 HB1 ALA A 21 6.566 4.396 -12.449 1.00 0.85 H new ATOM 0 HB2 ALA A 21 7.376 3.171 -11.444 1.00 0.85 H new ATOM 0 HB3 ALA A 21 5.772 3.785 -10.978 1.00 0.85 H new ATOM 310 N THR A 22 6.179 7.012 -11.724 1.00 0.67 N ATOM 311 CA THR A 22 5.177 8.086 -11.801 1.00 0.76 C ATOM 312 C THR A 22 3.793 7.528 -11.470 1.00 1.12 C ATOM 313 O THR A 22 3.254 7.812 -10.405 1.00 2.66 O ATOM 314 CB THR A 22 5.183 8.795 -13.173 1.00 0.81 C ATOM 315 OG1 THR A 22 5.044 7.886 -14.249 1.00 1.09 O ATOM 316 CG2 THR A 22 6.473 9.586 -13.377 1.00 1.40 C ATOM 0 H THR A 22 6.577 6.748 -12.625 1.00 0.67 H new ATOM 0 HA THR A 22 5.440 8.844 -11.063 1.00 0.76 H new ATOM 0 HB THR A 22 4.326 9.468 -13.167 1.00 0.81 H new ATOM 0 HG1 THR A 22 4.296 8.165 -14.818 1.00 1.09 H new ATOM 0 HG21 THR A 22 6.450 10.075 -14.351 1.00 1.40 H new ATOM 0 HG22 THR A 22 6.565 10.340 -12.595 1.00 1.40 H new ATOM 0 HG23 THR A 22 7.326 8.909 -13.331 1.00 1.40 H new ATOM 324 N ASP A 23 3.233 6.750 -12.399 1.00 0.60 N ATOM 325 CA ASP A 23 1.856 6.283 -12.485 1.00 0.57 C ATOM 326 C ASP A 23 1.782 4.803 -12.925 1.00 0.60 C ATOM 327 O ASP A 23 0.970 4.412 -13.760 1.00 1.16 O ATOM 328 CB ASP A 23 0.987 7.280 -13.294 1.00 0.81 C ATOM 329 CG ASP A 23 1.736 8.375 -14.080 1.00 1.83 C ATOM 330 OD1 ASP A 23 2.693 8.043 -14.823 1.00 2.89 O ATOM 331 OD2 ASP A 23 1.388 9.566 -13.872 1.00 2.82 O ATOM 0 H ASP A 23 3.788 6.401 -13.181 1.00 0.60 H new ATOM 0 HA ASP A 23 1.408 6.275 -11.491 1.00 0.57 H new ATOM 0 HB2 ASP A 23 0.382 6.709 -13.999 1.00 0.81 H new ATOM 0 HB3 ASP A 23 0.298 7.768 -12.604 1.00 0.81 H new ATOM 336 N SER A 24 2.636 3.960 -12.321 1.00 0.56 N ATOM 337 CA SER A 24 2.776 2.521 -12.613 1.00 0.60 C ATOM 338 C SER A 24 2.403 1.650 -11.401 1.00 0.71 C ATOM 339 O SER A 24 3.154 0.782 -10.958 1.00 1.35 O ATOM 340 CB SER A 24 4.187 2.230 -13.139 1.00 0.64 C ATOM 341 OG SER A 24 4.178 1.056 -13.924 1.00 1.39 O ATOM 0 H SER A 24 3.273 4.273 -11.588 1.00 0.56 H new ATOM 0 HA SER A 24 2.066 2.253 -13.396 1.00 0.60 H new ATOM 0 HB2 SER A 24 4.543 3.072 -13.733 1.00 0.64 H new ATOM 0 HB3 SER A 24 4.878 2.114 -12.304 1.00 0.64 H new ATOM 0 HG SER A 24 5.082 0.878 -14.257 1.00 1.39 H new ATOM 347 N PHE A 25 1.231 1.919 -10.824 1.00 0.68 N ATOM 348 CA PHE A 25 0.720 1.234 -9.639 1.00 0.74 C ATOM 349 C PHE A 25 0.355 -0.238 -9.925 1.00 0.98 C ATOM 350 O PHE A 25 -0.648 -0.509 -10.588 1.00 2.03 O ATOM 351 CB PHE A 25 -0.555 1.963 -9.182 1.00 0.85 C ATOM 352 CG PHE A 25 -1.184 1.383 -7.933 1.00 1.19 C ATOM 353 CD1 PHE A 25 -0.521 1.500 -6.700 1.00 1.54 C ATOM 354 CD2 PHE A 25 -2.422 0.714 -8.005 1.00 3.02 C ATOM 355 CE1 PHE A 25 -1.082 0.932 -5.546 1.00 1.56 C ATOM 356 CE2 PHE A 25 -2.998 0.173 -6.843 1.00 3.42 C ATOM 357 CZ PHE A 25 -2.322 0.280 -5.616 1.00 2.01 C ATOM 0 H PHE A 25 0.597 2.636 -11.177 1.00 0.68 H new ATOM 0 HA PHE A 25 1.500 1.246 -8.877 1.00 0.74 H new ATOM 0 HB2 PHE A 25 -0.317 3.011 -9.003 1.00 0.85 H new ATOM 0 HB3 PHE A 25 -1.286 1.936 -9.990 1.00 0.85 H new ATOM 0 HD1 PHE A 25 0.420 2.027 -6.640 1.00 1.54 H new ATOM 0 HD2 PHE A 25 -2.929 0.617 -8.954 1.00 3.02 H new ATOM 0 HE1 PHE A 25 -0.559 0.997 -4.603 1.00 1.56 H new ATOM 0 HE2 PHE A 25 -3.956 -0.323 -6.893 1.00 3.42 H new ATOM 0 HZ PHE A 25 -2.759 -0.142 -4.723 1.00 2.01 H new ATOM 367 N ASP A 26 1.109 -1.201 -9.380 1.00 0.61 N ATOM 368 CA ASP A 26 0.800 -2.632 -9.498 1.00 0.74 C ATOM 369 C ASP A 26 0.732 -3.321 -8.121 1.00 0.57 C ATOM 370 O ASP A 26 1.672 -3.971 -7.662 1.00 0.51 O ATOM 371 CB ASP A 26 1.765 -3.293 -10.491 1.00 1.08 C ATOM 372 CG ASP A 26 1.270 -4.671 -10.954 1.00 1.89 C ATOM 373 OD1 ASP A 26 0.611 -5.368 -10.143 1.00 3.06 O ATOM 374 OD2 ASP A 26 1.587 -5.038 -12.105 1.00 2.59 O ATOM 0 H ASP A 26 1.954 -1.009 -8.842 1.00 0.61 H new ATOM 0 HA ASP A 26 -0.202 -2.754 -9.910 1.00 0.74 H new ATOM 0 HB2 ASP A 26 1.891 -2.645 -11.358 1.00 1.08 H new ATOM 0 HB3 ASP A 26 2.745 -3.399 -10.026 1.00 1.08 H new ATOM 379 N HIS A 27 -0.410 -3.157 -7.438 1.00 0.70 N ATOM 380 CA HIS A 27 -0.640 -3.652 -6.071 1.00 0.65 C ATOM 381 C HIS A 27 -0.489 -5.170 -5.947 1.00 0.56 C ATOM 382 O HIS A 27 0.053 -5.679 -4.971 1.00 0.54 O ATOM 383 CB HIS A 27 -2.043 -3.218 -5.611 1.00 0.81 C ATOM 384 CG HIS A 27 -2.196 -2.882 -4.145 1.00 2.52 C ATOM 385 ND1 HIS A 27 -3.318 -2.309 -3.592 1.00 3.75 N ATOM 386 CD2 HIS A 27 -1.233 -2.908 -3.170 1.00 4.49 C ATOM 387 CE1 HIS A 27 -3.015 -1.931 -2.341 1.00 5.65 C ATOM 388 NE2 HIS A 27 -1.758 -2.279 -2.040 1.00 6.19 N ATOM 0 H HIS A 27 -1.216 -2.667 -7.827 1.00 0.70 H new ATOM 0 HA HIS A 27 0.127 -3.216 -5.430 1.00 0.65 H new ATOM 0 HB2 HIS A 27 -2.339 -2.346 -6.194 1.00 0.81 H new ATOM 0 HB3 HIS A 27 -2.744 -4.017 -5.853 1.00 0.81 H new ATOM 0 HD2 HIS A 27 -0.246 -3.338 -3.260 1.00 4.49 H new ATOM 0 HE1 HIS A 27 -3.690 -1.418 -1.671 1.00 5.65 H new ATOM 0 HE2 HIS A 27 -1.277 -2.116 -1.156 1.00 6.19 H new ATOM 396 N LYS A 28 -0.953 -5.864 -6.987 1.00 0.57 N ATOM 397 CA LYS A 28 -0.860 -7.292 -7.270 1.00 0.61 C ATOM 398 C LYS A 28 0.610 -7.719 -7.229 1.00 0.48 C ATOM 399 O LYS A 28 0.951 -8.579 -6.414 1.00 0.50 O ATOM 400 CB LYS A 28 -1.503 -7.595 -8.646 1.00 0.77 C ATOM 401 CG LYS A 28 -2.823 -6.845 -8.927 1.00 1.21 C ATOM 402 CD LYS A 28 -2.657 -5.469 -9.611 1.00 2.03 C ATOM 403 CE LYS A 28 -3.715 -4.453 -9.157 1.00 3.40 C ATOM 404 NZ LYS A 28 -4.910 -4.474 -10.029 1.00 4.00 N ATOM 0 H LYS A 28 -1.458 -5.384 -7.732 1.00 0.57 H new ATOM 0 HA LYS A 28 -1.403 -7.862 -6.516 1.00 0.61 H new ATOM 0 HB2 LYS A 28 -0.786 -7.345 -9.428 1.00 0.77 H new ATOM 0 HB3 LYS A 28 -1.689 -8.667 -8.715 1.00 0.77 H new ATOM 0 HG2 LYS A 28 -3.454 -7.473 -9.556 1.00 1.21 H new ATOM 0 HG3 LYS A 28 -3.352 -6.704 -7.984 1.00 1.21 H new ATOM 0 HD2 LYS A 28 -1.664 -5.076 -9.393 1.00 2.03 H new ATOM 0 HD3 LYS A 28 -2.719 -5.595 -10.692 1.00 2.03 H new ATOM 0 HE2 LYS A 28 -4.011 -4.671 -8.131 1.00 3.40 H new ATOM 0 HE3 LYS A 28 -3.282 -3.453 -9.159 1.00 3.40 H new ATOM 0 HZ1 LYS A 28 -5.692 -3.975 -9.559 1.00 4.00 H new ATOM 0 HZ2 LYS A 28 -4.691 -4.003 -10.930 1.00 4.00 H new ATOM 0 HZ3 LYS A 28 -5.189 -5.459 -10.212 1.00 4.00 H new ATOM 418 N LYS A 29 1.469 -7.114 -8.070 1.00 0.47 N ATOM 419 CA LYS A 29 2.917 -7.365 -8.099 1.00 0.40 C ATOM 420 C LYS A 29 3.558 -7.011 -6.768 1.00 0.33 C ATOM 421 O LYS A 29 4.300 -7.824 -6.232 1.00 0.35 O ATOM 422 CB LYS A 29 3.603 -6.532 -9.192 1.00 0.54 C ATOM 423 CG LYS A 29 3.867 -7.275 -10.514 1.00 0.86 C ATOM 424 CD LYS A 29 5.378 -7.407 -10.740 1.00 1.42 C ATOM 425 CE LYS A 29 5.698 -7.761 -12.193 1.00 1.71 C ATOM 426 NZ LYS A 29 7.114 -7.458 -12.508 1.00 2.90 N ATOM 0 H LYS A 29 1.168 -6.425 -8.760 1.00 0.47 H new ATOM 0 HA LYS A 29 3.048 -8.427 -8.306 1.00 0.40 H new ATOM 0 HB2 LYS A 29 2.986 -5.658 -9.402 1.00 0.54 H new ATOM 0 HB3 LYS A 29 4.553 -6.165 -8.804 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.406 -8.262 -10.486 1.00 0.86 H new ATOM 0 HG3 LYS A 29 3.411 -6.734 -11.344 1.00 0.86 H new ATOM 0 HD2 LYS A 29 5.870 -6.471 -10.476 1.00 1.42 H new ATOM 0 HD3 LYS A 29 5.780 -8.176 -10.080 1.00 1.42 H new ATOM 0 HE2 LYS A 29 5.500 -8.819 -12.366 1.00 1.71 H new ATOM 0 HE3 LYS A 29 5.044 -7.201 -12.861 1.00 1.71 H new ATOM 0 HZ1 LYS A 29 7.310 -7.706 -13.499 1.00 2.90 H new ATOM 0 HZ2 LYS A 29 7.293 -6.444 -12.363 1.00 2.90 H new ATOM 0 HZ3 LYS A 29 7.735 -8.012 -11.884 1.00 2.90 H new ATOM 440 N PHE A 30 3.261 -5.821 -6.241 1.00 0.35 N ATOM 441 CA PHE A 30 3.755 -5.344 -4.954 1.00 0.35 C ATOM 442 C PHE A 30 3.517 -6.388 -3.857 1.00 0.32 C ATOM 443 O PHE A 30 4.487 -6.849 -3.262 1.00 0.34 O ATOM 444 CB PHE A 30 3.115 -3.987 -4.641 1.00 0.44 C ATOM 445 CG PHE A 30 3.514 -3.417 -3.298 1.00 0.54 C ATOM 446 CD1 PHE A 30 2.818 -3.793 -2.134 1.00 1.99 C ATOM 447 CD2 PHE A 30 4.585 -2.511 -3.209 1.00 1.46 C ATOM 448 CE1 PHE A 30 3.224 -3.306 -0.883 1.00 2.15 C ATOM 449 CE2 PHE A 30 4.973 -1.997 -1.960 1.00 1.43 C ATOM 450 CZ PHE A 30 4.316 -2.430 -0.797 1.00 0.93 C ATOM 0 H PHE A 30 2.655 -5.148 -6.711 1.00 0.35 H new ATOM 0 HA PHE A 30 4.834 -5.199 -4.998 1.00 0.35 H new ATOM 0 HB2 PHE A 30 3.390 -3.278 -5.422 1.00 0.44 H new ATOM 0 HB3 PHE A 30 2.031 -4.092 -4.673 1.00 0.44 H new ATOM 0 HD1 PHE A 30 1.970 -4.458 -2.204 1.00 1.99 H new ATOM 0 HD2 PHE A 30 5.111 -2.209 -4.103 1.00 1.46 H new ATOM 0 HE1 PHE A 30 2.697 -3.605 0.011 1.00 2.15 H new ATOM 0 HE2 PHE A 30 5.772 -1.273 -1.895 1.00 1.43 H new ATOM 0 HZ PHE A 30 4.654 -2.086 0.170 1.00 0.93 H new ATOM 460 N PHE A 31 2.263 -6.814 -3.635 1.00 0.36 N ATOM 461 CA PHE A 31 1.898 -7.818 -2.627 1.00 0.39 C ATOM 462 C PHE A 31 2.590 -9.173 -2.822 1.00 0.35 C ATOM 463 O PHE A 31 2.841 -9.867 -1.836 1.00 0.40 O ATOM 464 CB PHE A 31 0.384 -8.043 -2.587 1.00 0.54 C ATOM 465 CG PHE A 31 -0.335 -7.327 -1.460 1.00 0.74 C ATOM 466 CD1 PHE A 31 -0.496 -5.934 -1.486 1.00 1.46 C ATOM 467 CD2 PHE A 31 -0.916 -8.064 -0.412 1.00 2.14 C ATOM 468 CE1 PHE A 31 -1.224 -5.292 -0.472 1.00 1.48 C ATOM 469 CE2 PHE A 31 -1.651 -7.428 0.600 1.00 2.36 C ATOM 470 CZ PHE A 31 -1.806 -6.036 0.568 1.00 1.25 C ATOM 0 H PHE A 31 1.462 -6.463 -4.161 1.00 0.36 H new ATOM 0 HA PHE A 31 2.245 -7.402 -1.681 1.00 0.39 H new ATOM 0 HB2 PHE A 31 -0.043 -7.718 -3.536 1.00 0.54 H new ATOM 0 HB3 PHE A 31 0.192 -9.112 -2.501 1.00 0.54 H new ATOM 0 HD1 PHE A 31 -0.060 -5.355 -2.287 1.00 1.46 H new ATOM 0 HD2 PHE A 31 -0.794 -9.137 -0.386 1.00 2.14 H new ATOM 0 HE1 PHE A 31 -1.338 -4.218 -0.491 1.00 1.48 H new ATOM 0 HE2 PHE A 31 -2.094 -8.007 1.397 1.00 2.36 H new ATOM 0 HZ PHE A 31 -2.371 -5.536 1.341 1.00 1.25 H new ATOM 480 N GLN A 32 2.876 -9.554 -4.073 1.00 0.33 N ATOM 481 CA GLN A 32 3.649 -10.751 -4.389 1.00 0.35 C ATOM 482 C GLN A 32 5.134 -10.543 -4.032 1.00 0.29 C ATOM 483 O GLN A 32 5.668 -11.299 -3.222 1.00 0.32 O ATOM 484 CB GLN A 32 3.455 -11.116 -5.876 1.00 0.45 C ATOM 485 CG GLN A 32 2.034 -11.623 -6.178 1.00 0.57 C ATOM 486 CD GLN A 32 1.683 -11.553 -7.665 1.00 1.14 C ATOM 487 OE1 GLN A 32 2.371 -12.079 -8.522 1.00 2.11 O ATOM 488 NE2 GLN A 32 0.582 -10.917 -8.015 1.00 1.06 N ATOM 0 H GLN A 32 2.573 -9.034 -4.897 1.00 0.33 H new ATOM 0 HA GLN A 32 3.290 -11.587 -3.789 1.00 0.35 H new ATOM 0 HB2 GLN A 32 3.664 -10.241 -6.492 1.00 0.45 H new ATOM 0 HB3 GLN A 32 4.178 -11.882 -6.156 1.00 0.45 H new ATOM 0 HG2 GLN A 32 1.940 -12.654 -5.835 1.00 0.57 H new ATOM 0 HG3 GLN A 32 1.314 -11.032 -5.611 1.00 0.57 H new ATOM 0 HE21 GLN A 32 0.001 -10.474 -7.303 1.00 1.06 H new ATOM 0 HE22 GLN A 32 0.312 -10.868 -8.997 1.00 1.06 H new ATOM 497 N MET A 33 5.780 -9.499 -4.578 1.00 0.31 N ATOM 498 CA MET A 33 7.178 -9.114 -4.323 1.00 0.34 C ATOM 499 C MET A 33 7.493 -8.989 -2.830 1.00 0.33 C ATOM 500 O MET A 33 8.502 -9.516 -2.373 1.00 0.40 O ATOM 501 CB MET A 33 7.503 -7.767 -5.008 1.00 0.47 C ATOM 502 CG MET A 33 8.301 -7.904 -6.305 1.00 0.98 C ATOM 503 SD MET A 33 7.459 -8.684 -7.703 1.00 1.81 S ATOM 504 CE MET A 33 8.703 -8.340 -8.975 1.00 1.55 C ATOM 0 H MET A 33 5.321 -8.872 -5.239 1.00 0.31 H new ATOM 0 HA MET A 33 7.794 -9.912 -4.737 1.00 0.34 H new ATOM 0 HB2 MET A 33 6.570 -7.245 -5.221 1.00 0.47 H new ATOM 0 HB3 MET A 33 8.065 -7.144 -4.312 1.00 0.47 H new ATOM 0 HG2 MET A 33 8.621 -6.909 -6.614 1.00 0.98 H new ATOM 0 HG3 MET A 33 9.203 -8.476 -6.090 1.00 0.98 H new ATOM 0 HE1 MET A 33 8.369 -8.746 -9.930 1.00 1.55 H new ATOM 0 HE2 MET A 33 8.841 -7.263 -9.067 1.00 1.55 H new ATOM 0 HE3 MET A 33 9.649 -8.804 -8.694 1.00 1.55 H new ATOM 514 N VAL A 34 6.636 -8.279 -2.091 1.00 0.32 N ATOM 515 CA VAL A 34 6.756 -8.001 -0.652 1.00 0.32 C ATOM 516 C VAL A 34 6.371 -9.199 0.238 1.00 0.32 C ATOM 517 O VAL A 34 6.487 -9.120 1.459 1.00 0.41 O ATOM 518 CB VAL A 34 5.892 -6.776 -0.326 1.00 0.36 C ATOM 519 CG1 VAL A 34 4.429 -7.139 -0.216 1.00 0.44 C ATOM 520 CG2 VAL A 34 6.314 -6.030 0.944 1.00 0.40 C ATOM 0 H VAL A 34 5.799 -7.861 -2.497 1.00 0.32 H new ATOM 0 HA VAL A 34 7.805 -7.804 -0.431 1.00 0.32 H new ATOM 0 HB VAL A 34 6.050 -6.102 -1.168 1.00 0.36 H new ATOM 0 HG11 VAL A 34 3.849 -6.246 0.016 1.00 0.44 H new ATOM 0 HG12 VAL A 34 4.086 -7.559 -1.162 1.00 0.44 H new ATOM 0 HG13 VAL A 34 4.295 -7.874 0.577 1.00 0.44 H new ATOM 0 HG21 VAL A 34 5.653 -5.178 1.102 1.00 0.40 H new ATOM 0 HG22 VAL A 34 6.250 -6.703 1.799 1.00 0.40 H new ATOM 0 HG23 VAL A 34 7.340 -5.678 0.835 1.00 0.40 H new ATOM 530 N GLY A 35 5.853 -10.286 -0.350 1.00 0.32 N ATOM 531 CA GLY A 35 5.368 -11.452 0.386 1.00 0.39 C ATOM 532 C GLY A 35 4.143 -11.194 1.274 1.00 0.32 C ATOM 533 O GLY A 35 3.862 -12.002 2.154 1.00 0.38 O ATOM 0 H GLY A 35 5.760 -10.377 -1.362 1.00 0.32 H new ATOM 0 HA2 GLY A 35 5.121 -12.237 -0.329 1.00 0.39 H new ATOM 0 HA3 GLY A 35 6.177 -11.832 1.010 1.00 0.39 H new ATOM 537 N LEU A 36 3.387 -10.110 1.061 1.00 0.29 N ATOM 538 CA LEU A 36 2.253 -9.720 1.909 1.00 0.32 C ATOM 539 C LEU A 36 1.174 -10.802 1.951 1.00 0.35 C ATOM 540 O LEU A 36 0.866 -11.333 3.010 1.00 0.39 O ATOM 541 CB LEU A 36 1.635 -8.399 1.425 1.00 0.35 C ATOM 542 CG LEU A 36 2.076 -7.173 2.220 1.00 0.51 C ATOM 543 CD1 LEU A 36 1.669 -5.847 1.568 1.00 0.47 C ATOM 544 CD2 LEU A 36 1.415 -7.230 3.578 1.00 0.80 C ATOM 0 H LEU A 36 3.548 -9.470 0.284 1.00 0.29 H new ATOM 0 HA LEU A 36 2.645 -9.587 2.918 1.00 0.32 H new ATOM 0 HB2 LEU A 36 1.896 -8.251 0.377 1.00 0.35 H new ATOM 0 HB3 LEU A 36 0.549 -8.479 1.475 1.00 0.35 H new ATOM 0 HG LEU A 36 3.164 -7.200 2.272 1.00 0.51 H new ATOM 0 HD11 LEU A 36 2.014 -5.017 2.185 1.00 0.47 H new ATOM 0 HD12 LEU A 36 2.120 -5.775 0.578 1.00 0.47 H new ATOM 0 HD13 LEU A 36 0.584 -5.805 1.476 1.00 0.47 H new ATOM 0 HD21 LEU A 36 1.716 -6.363 4.166 1.00 0.80 H new ATOM 0 HD22 LEU A 36 0.332 -7.228 3.456 1.00 0.80 H new ATOM 0 HD23 LEU A 36 1.720 -8.141 4.093 1.00 0.80 H new ATOM 556 N LYS A 37 0.657 -11.161 0.771 1.00 0.36 N ATOM 557 CA LYS A 37 -0.241 -12.324 0.555 1.00 0.43 C ATOM 558 C LYS A 37 0.325 -13.657 1.096 1.00 0.39 C ATOM 559 O LYS A 37 -0.443 -14.602 1.251 1.00 0.47 O ATOM 560 CB LYS A 37 -0.583 -12.510 -0.943 1.00 0.56 C ATOM 561 CG LYS A 37 -1.860 -11.764 -1.356 1.00 0.59 C ATOM 562 CD LYS A 37 -2.491 -12.243 -2.673 1.00 0.64 C ATOM 563 CE LYS A 37 -1.557 -12.142 -3.884 1.00 0.57 C ATOM 564 NZ LYS A 37 -2.296 -12.339 -5.157 1.00 1.23 N ATOM 0 H LYS A 37 0.850 -10.645 -0.087 1.00 0.36 H new ATOM 0 HA LYS A 37 -1.141 -12.085 1.122 1.00 0.43 H new ATOM 0 HB2 LYS A 37 0.251 -12.156 -1.549 1.00 0.56 H new ATOM 0 HB3 LYS A 37 -0.703 -13.572 -1.155 1.00 0.56 H new ATOM 0 HG2 LYS A 37 -2.597 -11.865 -0.559 1.00 0.59 H new ATOM 0 HG3 LYS A 37 -1.631 -10.702 -1.445 1.00 0.59 H new ATOM 0 HD2 LYS A 37 -2.808 -13.280 -2.557 1.00 0.64 H new ATOM 0 HD3 LYS A 37 -3.388 -11.656 -2.869 1.00 0.64 H new ATOM 0 HE2 LYS A 37 -1.072 -11.166 -3.891 1.00 0.57 H new ATOM 0 HE3 LYS A 37 -0.768 -12.890 -3.800 1.00 0.57 H new ATOM 0 HZ1 LYS A 37 -1.621 -12.383 -5.947 1.00 1.23 H new ATOM 0 HZ2 LYS A 37 -2.835 -13.227 -5.112 1.00 1.23 H new ATOM 0 HZ3 LYS A 37 -2.951 -11.544 -5.305 1.00 1.23 H new ATOM 578 N LYS A 38 1.641 -13.763 1.359 1.00 0.34 N ATOM 579 CA LYS A 38 2.288 -14.936 1.979 1.00 0.35 C ATOM 580 C LYS A 38 2.360 -14.820 3.513 1.00 0.30 C ATOM 581 O LYS A 38 2.519 -15.836 4.186 1.00 0.38 O ATOM 582 CB LYS A 38 3.712 -15.156 1.422 1.00 0.47 C ATOM 583 CG LYS A 38 3.836 -15.145 -0.114 1.00 2.43 C ATOM 584 CD LYS A 38 5.306 -15.195 -0.569 1.00 2.12 C ATOM 585 CE LYS A 38 6.009 -16.530 -0.283 1.00 3.26 C ATOM 586 NZ LYS A 38 5.566 -17.598 -1.210 1.00 4.87 N ATOM 0 H LYS A 38 2.301 -13.017 1.141 1.00 0.34 H new ATOM 0 HA LYS A 38 1.664 -15.793 1.725 1.00 0.35 H new ATOM 0 HB2 LYS A 38 4.364 -14.382 1.827 1.00 0.47 H new ATOM 0 HB3 LYS A 38 4.084 -16.112 1.792 1.00 0.47 H new ATOM 0 HG2 LYS A 38 3.298 -15.998 -0.528 1.00 2.43 H new ATOM 0 HG3 LYS A 38 3.363 -14.247 -0.510 1.00 2.43 H new ATOM 0 HD2 LYS A 38 5.350 -14.996 -1.640 1.00 2.12 H new ATOM 0 HD3 LYS A 38 5.855 -14.395 -0.073 1.00 2.12 H new ATOM 0 HE2 LYS A 38 7.087 -16.398 -0.370 1.00 3.26 H new ATOM 0 HE3 LYS A 38 5.807 -16.834 0.744 1.00 3.26 H new ATOM 0 HZ1 LYS A 38 6.064 -18.483 -0.984 1.00 4.87 H new ATOM 0 HZ2 LYS A 38 4.541 -17.742 -1.109 1.00 4.87 H new ATOM 0 HZ3 LYS A 38 5.782 -17.320 -2.189 1.00 4.87 H new ATOM 600 N LYS A 39 2.258 -13.602 4.063 1.00 0.27 N ATOM 601 CA LYS A 39 2.079 -13.316 5.490 1.00 0.28 C ATOM 602 C LYS A 39 0.606 -13.482 5.904 1.00 0.31 C ATOM 603 O LYS A 39 -0.270 -13.738 5.081 1.00 0.35 O ATOM 604 CB LYS A 39 2.642 -11.909 5.811 1.00 0.32 C ATOM 605 CG LYS A 39 3.969 -11.986 6.583 1.00 1.08 C ATOM 606 CD LYS A 39 5.148 -12.414 5.690 1.00 0.68 C ATOM 607 CE LYS A 39 6.398 -12.737 6.517 1.00 1.38 C ATOM 608 NZ LYS A 39 6.274 -14.025 7.233 1.00 1.96 N ATOM 0 H LYS A 39 2.300 -12.753 3.499 1.00 0.27 H new ATOM 0 HA LYS A 39 2.641 -14.038 6.082 1.00 0.28 H new ATOM 0 HB2 LYS A 39 2.793 -11.358 4.883 1.00 0.32 H new ATOM 0 HB3 LYS A 39 1.912 -11.351 6.398 1.00 0.32 H new ATOM 0 HG2 LYS A 39 4.186 -11.013 7.024 1.00 1.08 H new ATOM 0 HG3 LYS A 39 3.866 -12.693 7.406 1.00 1.08 H new ATOM 0 HD2 LYS A 39 4.863 -13.288 5.105 1.00 0.68 H new ATOM 0 HD3 LYS A 39 5.376 -11.617 4.982 1.00 0.68 H new ATOM 0 HE2 LYS A 39 7.268 -12.770 5.861 1.00 1.38 H new ATOM 0 HE3 LYS A 39 6.572 -11.938 7.237 1.00 1.38 H new ATOM 0 HZ1 LYS A 39 7.182 -14.261 7.682 1.00 1.96 H new ATOM 0 HZ2 LYS A 39 5.537 -13.947 7.962 1.00 1.96 H new ATOM 0 HZ3 LYS A 39 6.016 -14.774 6.559 1.00 1.96 H new ATOM 622 N SER A 40 0.352 -13.409 7.213 1.00 0.38 N ATOM 623 CA SER A 40 -0.951 -13.735 7.804 1.00 0.40 C ATOM 624 C SER A 40 -1.978 -12.596 7.680 1.00 0.44 C ATOM 625 O SER A 40 -1.630 -11.422 7.542 1.00 0.47 O ATOM 626 CB SER A 40 -0.739 -14.122 9.273 1.00 0.46 C ATOM 627 OG SER A 40 -1.949 -14.569 9.854 1.00 1.70 O ATOM 0 H SER A 40 1.049 -13.120 7.899 1.00 0.38 H new ATOM 0 HA SER A 40 -1.373 -14.571 7.246 1.00 0.40 H new ATOM 0 HB2 SER A 40 0.015 -14.907 9.342 1.00 0.46 H new ATOM 0 HB3 SER A 40 -0.358 -13.265 9.828 1.00 0.46 H new ATOM 0 HG SER A 40 -1.792 -14.813 10.790 1.00 1.70 H new ATOM 633 N ALA A 41 -3.260 -12.939 7.838 1.00 0.49 N ATOM 634 CA ALA A 41 -4.365 -11.989 7.965 1.00 0.56 C ATOM 635 C ALA A 41 -4.168 -11.020 9.141 1.00 0.60 C ATOM 636 O ALA A 41 -4.423 -9.822 9.017 1.00 0.65 O ATOM 637 CB ALA A 41 -5.656 -12.780 8.174 1.00 0.68 C ATOM 0 H ALA A 41 -3.564 -13.912 7.882 1.00 0.49 H new ATOM 0 HA ALA A 41 -4.408 -11.390 7.055 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -6.494 -12.090 8.271 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -5.823 -13.436 7.320 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -5.573 -13.380 9.081 1.00 0.68 H new ATOM 643 N ASP A 42 -3.691 -11.538 10.281 1.00 0.63 N ATOM 644 CA ASP A 42 -3.358 -10.702 11.429 1.00 0.68 C ATOM 645 C ASP A 42 -2.160 -9.792 11.129 1.00 0.64 C ATOM 646 O ASP A 42 -2.125 -8.657 11.590 1.00 0.75 O ATOM 647 CB ASP A 42 -3.081 -11.568 12.665 1.00 0.77 C ATOM 648 CG ASP A 42 -2.609 -10.699 13.838 1.00 1.69 C ATOM 649 OD1 ASP A 42 -3.437 -9.934 14.379 1.00 2.77 O ATOM 650 OD2 ASP A 42 -1.394 -10.740 14.144 1.00 3.06 O ATOM 0 H ASP A 42 -3.529 -12.534 10.427 1.00 0.63 H new ATOM 0 HA ASP A 42 -4.217 -10.064 11.636 1.00 0.68 H new ATOM 0 HB2 ASP A 42 -3.984 -12.109 12.947 1.00 0.77 H new ATOM 0 HB3 ASP A 42 -2.322 -12.315 12.430 1.00 0.77 H new ATOM 655 N ASP A 43 -1.203 -10.249 10.312 1.00 0.56 N ATOM 656 CA ASP A 43 -0.084 -9.417 9.874 1.00 0.53 C ATOM 657 C ASP A 43 -0.609 -8.224 9.065 1.00 0.50 C ATOM 658 O ASP A 43 -0.309 -7.075 9.386 1.00 0.52 O ATOM 659 CB ASP A 43 0.924 -10.257 9.077 1.00 0.48 C ATOM 660 CG ASP A 43 2.313 -9.632 9.137 1.00 0.85 C ATOM 661 OD1 ASP A 43 2.466 -8.525 8.579 1.00 2.12 O ATOM 662 OD2 ASP A 43 3.188 -10.266 9.759 1.00 1.89 O ATOM 0 H ASP A 43 -1.185 -11.199 9.940 1.00 0.56 H new ATOM 0 HA ASP A 43 0.441 -9.023 10.744 1.00 0.53 H new ATOM 0 HB2 ASP A 43 0.958 -11.270 9.478 1.00 0.48 H new ATOM 0 HB3 ASP A 43 0.600 -10.335 8.039 1.00 0.48 H new ATOM 667 N VAL A 44 -1.503 -8.486 8.101 1.00 0.53 N ATOM 668 CA VAL A 44 -2.205 -7.497 7.273 1.00 0.58 C ATOM 669 C VAL A 44 -2.855 -6.352 8.077 1.00 0.55 C ATOM 670 O VAL A 44 -2.847 -5.209 7.609 1.00 0.57 O ATOM 671 CB VAL A 44 -3.151 -8.252 6.311 1.00 0.65 C ATOM 672 CG1 VAL A 44 -4.501 -7.580 6.064 1.00 0.99 C ATOM 673 CG2 VAL A 44 -2.435 -8.484 4.973 1.00 0.78 C ATOM 0 H VAL A 44 -1.769 -9.442 7.866 1.00 0.53 H new ATOM 0 HA VAL A 44 -1.481 -6.950 6.669 1.00 0.58 H new ATOM 0 HB VAL A 44 -3.387 -9.193 6.809 1.00 0.65 H new ATOM 0 HG11 VAL A 44 -5.090 -8.188 5.377 1.00 0.99 H new ATOM 0 HG12 VAL A 44 -5.036 -7.480 7.009 1.00 0.99 H new ATOM 0 HG13 VAL A 44 -4.342 -6.593 5.630 1.00 0.99 H new ATOM 0 HG21 VAL A 44 -3.099 -9.016 4.292 1.00 0.78 H new ATOM 0 HG22 VAL A 44 -2.161 -7.524 4.536 1.00 0.78 H new ATOM 0 HG23 VAL A 44 -1.536 -9.077 5.140 1.00 0.78 H new ATOM 683 N LYS A 45 -3.317 -6.592 9.316 1.00 0.54 N ATOM 684 CA LYS A 45 -3.724 -5.523 10.254 1.00 0.55 C ATOM 685 C LYS A 45 -2.580 -4.545 10.578 1.00 0.50 C ATOM 686 O LYS A 45 -2.777 -3.329 10.570 1.00 0.69 O ATOM 687 CB LYS A 45 -4.305 -6.136 11.546 1.00 0.68 C ATOM 688 CG LYS A 45 -5.837 -6.124 11.604 1.00 1.18 C ATOM 689 CD LYS A 45 -6.300 -6.718 12.944 1.00 1.51 C ATOM 690 CE LYS A 45 -7.823 -6.642 13.078 1.00 1.98 C ATOM 691 NZ LYS A 45 -8.265 -7.095 14.419 1.00 2.79 N ATOM 0 H LYS A 45 -3.420 -7.532 9.699 1.00 0.54 H new ATOM 0 HA LYS A 45 -4.498 -4.939 9.756 1.00 0.55 H new ATOM 0 HB2 LYS A 45 -3.956 -7.164 11.638 1.00 0.68 H new ATOM 0 HB3 LYS A 45 -3.914 -5.589 12.404 1.00 0.68 H new ATOM 0 HG2 LYS A 45 -6.208 -5.105 11.497 1.00 1.18 H new ATOM 0 HG3 LYS A 45 -6.248 -6.701 10.776 1.00 1.18 H new ATOM 0 HD2 LYS A 45 -5.976 -7.756 13.018 1.00 1.51 H new ATOM 0 HD3 LYS A 45 -5.831 -6.179 13.767 1.00 1.51 H new ATOM 0 HE2 LYS A 45 -8.155 -5.618 12.909 1.00 1.98 H new ATOM 0 HE3 LYS A 45 -8.290 -7.259 12.310 1.00 1.98 H new ATOM 0 HZ1 LYS A 45 -9.301 -7.033 14.482 1.00 2.79 H new ATOM 0 HZ2 LYS A 45 -7.967 -8.080 14.568 1.00 2.79 H new ATOM 0 HZ3 LYS A 45 -7.837 -6.490 15.148 1.00 2.79 H new ATOM 705 N LYS A 46 -1.379 -5.061 10.862 1.00 0.34 N ATOM 706 CA LYS A 46 -0.176 -4.282 11.194 1.00 0.37 C ATOM 707 C LYS A 46 0.484 -3.681 9.943 1.00 0.41 C ATOM 708 O LYS A 46 1.179 -2.669 10.072 1.00 0.59 O ATOM 709 CB LYS A 46 0.837 -5.153 11.964 1.00 0.44 C ATOM 710 CG LYS A 46 0.416 -5.590 13.383 1.00 0.87 C ATOM 711 CD LYS A 46 -0.644 -6.702 13.398 1.00 1.44 C ATOM 712 CE LYS A 46 -0.864 -7.319 14.784 1.00 1.76 C ATOM 713 NZ LYS A 46 -0.096 -8.572 14.956 1.00 2.10 N ATOM 0 H LYS A 46 -1.210 -6.067 10.868 1.00 0.34 H new ATOM 0 HA LYS A 46 -0.492 -3.455 11.830 1.00 0.37 H new ATOM 0 HB2 LYS A 46 1.038 -6.048 11.375 1.00 0.44 H new ATOM 0 HB3 LYS A 46 1.775 -4.603 12.038 1.00 0.44 H new ATOM 0 HG2 LYS A 46 1.298 -5.933 13.924 1.00 0.87 H new ATOM 0 HG3 LYS A 46 0.029 -4.724 13.920 1.00 0.87 H new ATOM 0 HD2 LYS A 46 -1.589 -6.297 13.035 1.00 1.44 H new ATOM 0 HD3 LYS A 46 -0.346 -7.487 12.703 1.00 1.44 H new ATOM 0 HE2 LYS A 46 -0.569 -6.603 15.551 1.00 1.76 H new ATOM 0 HE3 LYS A 46 -1.925 -7.521 14.928 1.00 1.76 H new ATOM 0 HZ1 LYS A 46 -0.033 -8.805 15.968 1.00 2.10 H new ATOM 0 HZ2 LYS A 46 -0.575 -9.345 14.452 1.00 2.10 H new ATOM 0 HZ3 LYS A 46 0.862 -8.448 14.569 1.00 2.10 H new ATOM 727 N VAL A 47 0.231 -4.265 8.761 1.00 0.34 N ATOM 728 CA VAL A 47 0.526 -3.714 7.425 1.00 0.37 C ATOM 729 C VAL A 47 -0.319 -2.457 7.201 1.00 0.40 C ATOM 730 O VAL A 47 0.252 -1.385 7.037 1.00 0.39 O ATOM 731 CB VAL A 47 0.282 -4.750 6.307 1.00 0.49 C ATOM 732 CG1 VAL A 47 0.654 -4.233 4.906 1.00 0.49 C ATOM 733 CG2 VAL A 47 1.072 -6.044 6.547 1.00 0.69 C ATOM 0 H VAL A 47 -0.209 -5.184 8.707 1.00 0.34 H new ATOM 0 HA VAL A 47 1.584 -3.454 7.384 1.00 0.37 H new ATOM 0 HB VAL A 47 -0.790 -4.942 6.342 1.00 0.49 H new ATOM 0 HG11 VAL A 47 0.458 -5.010 4.167 1.00 0.49 H new ATOM 0 HG12 VAL A 47 0.056 -3.352 4.673 1.00 0.49 H new ATOM 0 HG13 VAL A 47 1.712 -3.970 4.884 1.00 0.49 H new ATOM 0 HG21 VAL A 47 0.873 -6.747 5.738 1.00 0.69 H new ATOM 0 HG22 VAL A 47 2.138 -5.819 6.578 1.00 0.69 H new ATOM 0 HG23 VAL A 47 0.767 -6.486 7.495 1.00 0.69 H new ATOM 743 N PHE A 48 -1.658 -2.539 7.254 1.00 0.53 N ATOM 744 CA PHE A 48 -2.541 -1.377 7.227 1.00 0.65 C ATOM 745 C PHE A 48 -2.131 -0.250 8.179 1.00 0.53 C ATOM 746 O PHE A 48 -2.075 0.901 7.761 1.00 0.49 O ATOM 747 CB PHE A 48 -3.968 -1.819 7.545 1.00 0.92 C ATOM 748 CG PHE A 48 -5.008 -0.764 7.238 1.00 0.67 C ATOM 749 CD1 PHE A 48 -4.999 -0.070 6.010 1.00 1.49 C ATOM 750 CD2 PHE A 48 -6.011 -0.492 8.185 1.00 1.93 C ATOM 751 CE1 PHE A 48 -5.984 0.887 5.734 1.00 1.67 C ATOM 752 CE2 PHE A 48 -7.030 0.420 7.882 1.00 1.81 C ATOM 753 CZ PHE A 48 -7.003 1.119 6.666 1.00 0.75 C ATOM 0 H PHE A 48 -2.157 -3.426 7.317 1.00 0.53 H new ATOM 0 HA PHE A 48 -2.468 -0.963 6.221 1.00 0.65 H new ATOM 0 HB2 PHE A 48 -4.196 -2.720 6.976 1.00 0.92 H new ATOM 0 HB3 PHE A 48 -4.031 -2.084 8.600 1.00 0.92 H new ATOM 0 HD1 PHE A 48 -4.230 -0.277 5.280 1.00 1.49 H new ATOM 0 HD2 PHE A 48 -5.996 -0.986 9.145 1.00 1.93 H new ATOM 0 HE1 PHE A 48 -5.958 1.442 4.808 1.00 1.67 H new ATOM 0 HE2 PHE A 48 -7.835 0.585 8.583 1.00 1.81 H new ATOM 0 HZ PHE A 48 -7.775 1.842 6.447 1.00 0.75 H new ATOM 763 N HIS A 49 -1.783 -0.566 9.433 1.00 0.54 N ATOM 764 CA HIS A 49 -1.280 0.429 10.386 1.00 0.61 C ATOM 765 C HIS A 49 -0.032 1.170 9.866 1.00 0.55 C ATOM 766 O HIS A 49 0.204 2.318 10.239 1.00 0.82 O ATOM 767 CB HIS A 49 -0.995 -0.273 11.726 1.00 0.83 C ATOM 768 CG HIS A 49 -0.517 0.647 12.826 1.00 2.14 C ATOM 769 ND1 HIS A 49 -1.245 1.047 13.926 1.00 2.29 N ATOM 770 CD2 HIS A 49 0.717 1.236 12.915 1.00 4.22 C ATOM 771 CE1 HIS A 49 -0.464 1.866 14.653 1.00 3.70 C ATOM 772 NE2 HIS A 49 0.723 2.044 14.051 1.00 4.97 N ATOM 0 H HIS A 49 -1.842 -1.511 9.812 1.00 0.54 H new ATOM 0 HA HIS A 49 -2.043 1.195 10.523 1.00 0.61 H new ATOM 0 HB2 HIS A 49 -1.903 -0.776 12.059 1.00 0.83 H new ATOM 0 HB3 HIS A 49 -0.244 -1.046 11.564 1.00 0.83 H new ATOM 0 HD2 HIS A 49 1.539 1.099 12.228 1.00 4.22 H new ATOM 0 HE1 HIS A 49 -0.752 2.318 15.591 1.00 3.70 H new ATOM 0 HE2 HIS A 49 1.481 2.651 14.364 1.00 4.97 H new ATOM 780 N MET A 50 0.784 0.527 9.025 1.00 0.48 N ATOM 781 CA MET A 50 2.002 1.095 8.456 1.00 0.75 C ATOM 782 C MET A 50 1.689 2.206 7.436 1.00 0.65 C ATOM 783 O MET A 50 2.277 3.282 7.527 1.00 0.64 O ATOM 784 CB MET A 50 2.843 -0.048 7.857 1.00 0.95 C ATOM 785 CG MET A 50 4.352 0.152 8.011 1.00 1.32 C ATOM 786 SD MET A 50 5.061 -0.336 9.615 1.00 2.19 S ATOM 787 CE MET A 50 5.044 1.254 10.491 1.00 1.81 C ATOM 0 H MET A 50 0.607 -0.429 8.715 1.00 0.48 H new ATOM 0 HA MET A 50 2.584 1.581 9.239 1.00 0.75 H new ATOM 0 HB2 MET A 50 2.559 -0.985 8.336 1.00 0.95 H new ATOM 0 HB3 MET A 50 2.605 -0.146 6.798 1.00 0.95 H new ATOM 0 HG2 MET A 50 4.855 -0.413 7.226 1.00 1.32 H new ATOM 0 HG3 MET A 50 4.578 1.205 7.841 1.00 1.32 H new ATOM 0 HE1 MET A 50 5.833 1.264 11.243 1.00 1.81 H new ATOM 0 HE2 MET A 50 5.211 2.063 9.780 1.00 1.81 H new ATOM 0 HE3 MET A 50 4.078 1.391 10.977 1.00 1.81 H new ATOM 797 N LEU A 51 0.767 1.963 6.490 1.00 0.63 N ATOM 798 CA LEU A 51 0.287 2.964 5.520 1.00 0.51 C ATOM 799 C LEU A 51 -0.702 3.972 6.133 1.00 0.57 C ATOM 800 O LEU A 51 -0.548 5.160 5.863 1.00 0.57 O ATOM 801 CB LEU A 51 -0.274 2.308 4.241 1.00 0.61 C ATOM 802 CG LEU A 51 -1.164 1.057 4.377 1.00 1.50 C ATOM 803 CD1 LEU A 51 -2.303 1.044 3.353 1.00 3.08 C ATOM 804 CD2 LEU A 51 -0.332 -0.205 4.157 1.00 1.91 C ATOM 0 H LEU A 51 0.326 1.050 6.375 1.00 0.63 H new ATOM 0 HA LEU A 51 1.163 3.543 5.227 1.00 0.51 H new ATOM 0 HB2 LEU A 51 -0.848 3.065 3.707 1.00 0.61 H new ATOM 0 HB3 LEU A 51 0.572 2.043 3.607 1.00 0.61 H new ATOM 0 HG LEU A 51 -1.586 1.083 5.382 1.00 1.50 H new ATOM 0 HD11 LEU A 51 -2.903 0.144 3.487 1.00 3.08 H new ATOM 0 HD12 LEU A 51 -2.931 1.923 3.496 1.00 3.08 H new ATOM 0 HD13 LEU A 51 -1.887 1.055 2.346 1.00 3.08 H new ATOM 0 HD21 LEU A 51 -0.970 -1.083 4.255 1.00 1.91 H new ATOM 0 HD22 LEU A 51 0.105 -0.184 3.158 1.00 1.91 H new ATOM 0 HD23 LEU A 51 0.464 -0.250 4.900 1.00 1.91 H new ATOM 816 N ASP A 52 -1.681 3.544 6.949 1.00 0.66 N ATOM 817 CA ASP A 52 -2.626 4.426 7.654 1.00 0.73 C ATOM 818 C ASP A 52 -1.869 5.336 8.634 1.00 0.74 C ATOM 819 O ASP A 52 -1.505 4.932 9.740 1.00 1.01 O ATOM 820 CB ASP A 52 -3.720 3.601 8.357 1.00 0.79 C ATOM 821 CG ASP A 52 -4.822 4.484 8.959 1.00 0.86 C ATOM 822 OD1 ASP A 52 -5.631 5.038 8.175 1.00 1.50 O ATOM 823 OD2 ASP A 52 -4.883 4.592 10.206 1.00 1.92 O ATOM 0 H ASP A 52 -1.840 2.555 7.140 1.00 0.66 H new ATOM 0 HA ASP A 52 -3.126 5.066 6.928 1.00 0.73 H new ATOM 0 HB2 ASP A 52 -4.164 2.907 7.643 1.00 0.79 H new ATOM 0 HB3 ASP A 52 -3.268 3.000 9.146 1.00 0.79 H new ATOM 828 N LYS A 53 -1.568 6.564 8.205 1.00 0.75 N ATOM 829 CA LYS A 53 -0.516 7.404 8.787 1.00 0.77 C ATOM 830 C LYS A 53 -1.005 8.416 9.828 1.00 0.74 C ATOM 831 O LYS A 53 -0.243 9.274 10.263 1.00 1.24 O ATOM 832 CB LYS A 53 0.310 7.990 7.624 1.00 1.05 C ATOM 833 CG LYS A 53 1.654 7.246 7.492 1.00 1.42 C ATOM 834 CD LYS A 53 2.816 8.089 8.041 1.00 1.54 C ATOM 835 CE LYS A 53 3.248 9.147 7.021 1.00 2.10 C ATOM 836 NZ LYS A 53 3.801 8.502 5.809 1.00 3.31 N ATOM 0 H LYS A 53 -2.057 7.011 7.430 1.00 0.75 H new ATOM 0 HA LYS A 53 0.140 6.791 9.405 1.00 0.77 H new ATOM 0 HB2 LYS A 53 -0.251 7.908 6.693 1.00 1.05 H new ATOM 0 HB3 LYS A 53 0.490 9.051 7.796 1.00 1.05 H new ATOM 0 HG2 LYS A 53 1.603 6.300 8.030 1.00 1.42 H new ATOM 0 HG3 LYS A 53 1.838 7.007 6.445 1.00 1.42 H new ATOM 0 HD2 LYS A 53 2.513 8.574 8.969 1.00 1.54 H new ATOM 0 HD3 LYS A 53 3.660 7.442 8.280 1.00 1.54 H new ATOM 0 HE2 LYS A 53 2.396 9.771 6.752 1.00 2.10 H new ATOM 0 HE3 LYS A 53 3.996 9.804 7.464 1.00 2.10 H new ATOM 0 HZ1 LYS A 53 4.453 9.158 5.333 1.00 3.31 H new ATOM 0 HZ2 LYS A 53 4.314 7.639 6.079 1.00 3.31 H new ATOM 0 HZ3 LYS A 53 3.025 8.255 5.162 1.00 3.31 H new ATOM 850 N ASP A 54 -2.244 8.243 10.283 1.00 0.84 N ATOM 851 CA ASP A 54 -2.973 9.039 11.275 1.00 0.88 C ATOM 852 C ASP A 54 -3.628 8.189 12.385 1.00 0.92 C ATOM 853 O ASP A 54 -4.144 8.763 13.339 1.00 1.10 O ATOM 854 CB ASP A 54 -4.073 9.830 10.546 1.00 0.95 C ATOM 855 CG ASP A 54 -5.090 8.905 9.873 1.00 1.20 C ATOM 856 OD1 ASP A 54 -4.852 7.695 9.681 1.00 1.76 O ATOM 857 OD2 ASP A 54 -6.145 9.325 9.346 1.00 1.93 O ATOM 0 H ASP A 54 -2.817 7.473 9.937 1.00 0.84 H new ATOM 0 HA ASP A 54 -2.249 9.692 11.762 1.00 0.88 H new ATOM 0 HB2 ASP A 54 -4.586 10.478 11.257 1.00 0.95 H new ATOM 0 HB3 ASP A 54 -3.618 10.477 9.796 1.00 0.95 H new ATOM 862 N LYS A 55 -3.633 6.847 12.259 1.00 0.93 N ATOM 863 CA LYS A 55 -4.344 5.896 13.134 1.00 1.05 C ATOM 864 C LYS A 55 -5.880 6.037 13.088 1.00 1.00 C ATOM 865 O LYS A 55 -6.553 5.657 14.045 1.00 1.47 O ATOM 866 CB LYS A 55 -3.741 5.911 14.564 1.00 1.27 C ATOM 867 CG LYS A 55 -2.595 4.918 14.792 1.00 1.68 C ATOM 868 CD LYS A 55 -1.311 5.172 13.996 1.00 1.70 C ATOM 869 CE LYS A 55 -1.363 4.433 12.658 1.00 1.97 C ATOM 870 NZ LYS A 55 -0.018 4.284 12.073 1.00 3.04 N ATOM 0 H LYS A 55 -3.120 6.377 11.513 1.00 0.93 H new ATOM 0 HA LYS A 55 -4.177 4.896 12.734 1.00 1.05 H new ATOM 0 HB2 LYS A 55 -3.379 6.916 14.780 1.00 1.27 H new ATOM 0 HB3 LYS A 55 -4.535 5.698 15.280 1.00 1.27 H new ATOM 0 HG2 LYS A 55 -2.346 4.920 15.853 1.00 1.68 H new ATOM 0 HG3 LYS A 55 -2.955 3.918 14.551 1.00 1.68 H new ATOM 0 HD2 LYS A 55 -1.187 6.241 13.824 1.00 1.70 H new ATOM 0 HD3 LYS A 55 -0.447 4.839 14.570 1.00 1.70 H new ATOM 0 HE2 LYS A 55 -1.810 3.449 12.801 1.00 1.97 H new ATOM 0 HE3 LYS A 55 -2.005 4.977 11.965 1.00 1.97 H new ATOM 0 HZ1 LYS A 55 -0.081 3.735 11.192 1.00 3.04 H new ATOM 0 HZ2 LYS A 55 0.377 5.224 11.867 1.00 3.04 H new ATOM 0 HZ3 LYS A 55 0.600 3.788 12.746 1.00 3.04 H new ATOM 884 N SER A 56 -6.462 6.519 11.977 1.00 0.58 N ATOM 885 CA SER A 56 -7.931 6.530 11.806 1.00 0.52 C ATOM 886 C SER A 56 -8.496 5.294 11.091 1.00 0.46 C ATOM 887 O SER A 56 -9.716 5.142 11.028 1.00 0.67 O ATOM 888 CB SER A 56 -8.430 7.820 11.149 1.00 0.72 C ATOM 889 OG SER A 56 -8.059 7.905 9.793 1.00 0.80 O ATOM 0 H SER A 56 -5.945 6.904 11.187 1.00 0.58 H new ATOM 0 HA SER A 56 -8.322 6.491 12.823 1.00 0.52 H new ATOM 0 HB2 SER A 56 -9.516 7.871 11.231 1.00 0.72 H new ATOM 0 HB3 SER A 56 -8.029 8.679 11.688 1.00 0.72 H new ATOM 0 HG SER A 56 -7.628 8.769 9.625 1.00 0.80 H new ATOM 895 N GLY A 57 -7.646 4.388 10.590 1.00 0.47 N ATOM 896 CA GLY A 57 -8.078 3.119 10.000 1.00 0.54 C ATOM 897 C GLY A 57 -8.706 3.255 8.611 1.00 0.40 C ATOM 898 O GLY A 57 -9.512 2.406 8.236 1.00 0.49 O ATOM 0 H GLY A 57 -6.634 4.518 10.584 1.00 0.47 H new ATOM 0 HA2 GLY A 57 -7.219 2.451 9.934 1.00 0.54 H new ATOM 0 HA3 GLY A 57 -8.799 2.647 10.668 1.00 0.54 H new ATOM 902 N PHE A 58 -8.335 4.291 7.849 1.00 0.36 N ATOM 903 CA PHE A 58 -8.774 4.560 6.476 1.00 0.35 C ATOM 904 C PHE A 58 -7.781 5.491 5.781 1.00 0.44 C ATOM 905 O PHE A 58 -7.593 6.618 6.242 1.00 0.75 O ATOM 906 CB PHE A 58 -10.151 5.239 6.455 1.00 0.37 C ATOM 907 CG PHE A 58 -11.330 4.353 6.822 1.00 0.73 C ATOM 908 CD1 PHE A 58 -11.654 3.251 6.004 1.00 2.63 C ATOM 909 CD2 PHE A 58 -12.099 4.615 7.972 1.00 1.30 C ATOM 910 CE1 PHE A 58 -12.743 2.423 6.324 1.00 3.15 C ATOM 911 CE2 PHE A 58 -13.193 3.789 8.290 1.00 1.35 C ATOM 912 CZ PHE A 58 -13.517 2.697 7.465 1.00 1.92 C ATOM 0 H PHE A 58 -7.687 5.000 8.192 1.00 0.36 H new ATOM 0 HA PHE A 58 -8.832 3.602 5.959 1.00 0.35 H new ATOM 0 HB2 PHE A 58 -10.129 6.085 7.142 1.00 0.37 H new ATOM 0 HB3 PHE A 58 -10.321 5.643 5.457 1.00 0.37 H new ATOM 0 HD1 PHE A 58 -11.061 3.042 5.126 1.00 2.63 H new ATOM 0 HD2 PHE A 58 -11.849 5.450 8.610 1.00 1.30 H new ATOM 0 HE1 PHE A 58 -12.985 1.579 5.695 1.00 3.15 H new ATOM 0 HE2 PHE A 58 -13.785 3.994 9.170 1.00 1.35 H new ATOM 0 HZ PHE A 58 -14.361 2.069 7.708 1.00 1.92 H new ATOM 922 N ILE A 59 -7.166 5.076 4.667 1.00 0.38 N ATOM 923 CA ILE A 59 -6.360 5.984 3.837 1.00 0.47 C ATOM 924 C ILE A 59 -7.232 6.802 2.872 1.00 0.50 C ATOM 925 O ILE A 59 -8.055 6.240 2.147 1.00 0.50 O ATOM 926 CB ILE A 59 -5.241 5.193 3.111 1.00 0.58 C ATOM 927 CG1 ILE A 59 -3.901 5.556 3.781 1.00 1.81 C ATOM 928 CG2 ILE A 59 -5.139 5.446 1.596 1.00 1.12 C ATOM 929 CD1 ILE A 59 -2.668 5.003 3.072 1.00 2.62 C ATOM 0 H ILE A 59 -7.210 4.118 4.318 1.00 0.38 H new ATOM 0 HA ILE A 59 -5.877 6.713 4.488 1.00 0.47 H new ATOM 0 HB ILE A 59 -5.490 4.136 3.206 1.00 0.58 H new ATOM 0 HG12 ILE A 59 -3.818 6.642 3.833 1.00 1.81 H new ATOM 0 HG13 ILE A 59 -3.911 5.187 4.807 1.00 1.81 H new ATOM 0 HG21 ILE A 59 -4.328 4.848 1.181 1.00 1.12 H new ATOM 0 HG22 ILE A 59 -6.077 5.167 1.117 1.00 1.12 H new ATOM 0 HG23 ILE A 59 -4.939 6.502 1.416 1.00 1.12 H new ATOM 0 HD11 ILE A 59 -1.771 5.307 3.612 1.00 2.62 H new ATOM 0 HD12 ILE A 59 -2.723 3.915 3.043 1.00 2.62 H new ATOM 0 HD13 ILE A 59 -2.628 5.392 2.054 1.00 2.62 H new ATOM 941 N GLU A 60 -6.995 8.119 2.830 1.00 0.58 N ATOM 942 CA GLU A 60 -7.418 9.044 1.775 1.00 0.48 C ATOM 943 C GLU A 60 -6.231 9.574 0.937 1.00 0.37 C ATOM 944 O GLU A 60 -5.069 9.357 1.284 1.00 0.32 O ATOM 945 CB GLU A 60 -8.195 10.247 2.342 1.00 0.85 C ATOM 946 CG GLU A 60 -7.486 11.019 3.465 1.00 1.93 C ATOM 947 CD GLU A 60 -7.829 10.381 4.808 1.00 1.46 C ATOM 948 OE1 GLU A 60 -8.957 10.636 5.293 1.00 2.00 O ATOM 949 OE2 GLU A 60 -7.017 9.545 5.269 1.00 1.46 O ATOM 0 H GLU A 60 -6.476 8.591 3.570 1.00 0.58 H new ATOM 0 HA GLU A 60 -8.072 8.460 1.127 1.00 0.48 H new ATOM 0 HB2 GLU A 60 -8.407 10.938 1.526 1.00 0.85 H new ATOM 0 HB3 GLU A 60 -9.155 9.893 2.717 1.00 0.85 H new ATOM 0 HG2 GLU A 60 -6.408 11.005 3.307 1.00 1.93 H new ATOM 0 HG3 GLU A 60 -7.796 12.064 3.456 1.00 1.93 H new ATOM 956 N GLU A 61 -6.549 10.335 -0.125 1.00 0.48 N ATOM 957 CA GLU A 61 -5.664 10.967 -1.120 1.00 0.51 C ATOM 958 C GLU A 61 -4.428 11.706 -0.565 1.00 0.54 C ATOM 959 O GLU A 61 -3.379 11.696 -1.205 1.00 0.60 O ATOM 960 CB GLU A 61 -6.502 11.884 -2.025 1.00 0.58 C ATOM 961 CG GLU A 61 -7.080 13.121 -1.323 1.00 1.26 C ATOM 962 CD GLU A 61 -8.161 13.771 -2.191 1.00 1.75 C ATOM 963 OE1 GLU A 61 -7.792 14.426 -3.191 1.00 2.20 O ATOM 964 OE2 GLU A 61 -9.351 13.577 -1.850 1.00 3.15 O ATOM 0 H GLU A 61 -7.527 10.543 -0.328 1.00 0.48 H new ATOM 0 HA GLU A 61 -5.226 10.145 -1.686 1.00 0.51 H new ATOM 0 HB2 GLU A 61 -5.883 12.213 -2.860 1.00 0.58 H new ATOM 0 HB3 GLU A 61 -7.324 11.304 -2.446 1.00 0.58 H new ATOM 0 HG2 GLU A 61 -7.501 12.836 -0.359 1.00 1.26 H new ATOM 0 HG3 GLU A 61 -6.284 13.839 -1.124 1.00 1.26 H new ATOM 971 N ASP A 62 -4.537 12.315 0.622 1.00 0.57 N ATOM 972 CA ASP A 62 -3.460 13.070 1.271 1.00 0.74 C ATOM 973 C ASP A 62 -2.294 12.156 1.691 1.00 0.62 C ATOM 974 O ASP A 62 -1.169 12.324 1.223 1.00 0.80 O ATOM 975 CB ASP A 62 -4.057 13.838 2.460 1.00 1.01 C ATOM 976 CG ASP A 62 -3.050 14.818 3.063 1.00 1.90 C ATOM 977 OD1 ASP A 62 -2.990 15.958 2.553 1.00 2.90 O ATOM 978 OD2 ASP A 62 -2.359 14.411 4.022 1.00 2.80 O ATOM 0 H ASP A 62 -5.397 12.296 1.170 1.00 0.57 H new ATOM 0 HA ASP A 62 -3.032 13.781 0.564 1.00 0.74 H new ATOM 0 HB2 ASP A 62 -4.944 14.382 2.134 1.00 1.01 H new ATOM 0 HB3 ASP A 62 -4.380 13.131 3.225 1.00 1.01 H new ATOM 983 N GLU A 63 -2.578 11.141 2.518 1.00 0.56 N ATOM 984 CA GLU A 63 -1.633 10.070 2.869 1.00 0.52 C ATOM 985 C GLU A 63 -1.179 9.305 1.623 1.00 0.49 C ATOM 986 O GLU A 63 -0.003 8.960 1.498 1.00 0.55 O ATOM 987 CB GLU A 63 -2.299 9.097 3.846 1.00 0.65 C ATOM 988 CG GLU A 63 -2.414 9.695 5.252 1.00 0.77 C ATOM 989 CD GLU A 63 -3.212 8.786 6.187 1.00 0.93 C ATOM 990 OE1 GLU A 63 -3.052 7.548 6.144 1.00 2.20 O ATOM 991 OE2 GLU A 63 -4.042 9.296 6.968 1.00 1.55 O ATOM 0 H GLU A 63 -3.486 11.038 2.970 1.00 0.56 H new ATOM 0 HA GLU A 63 -0.758 10.526 3.333 1.00 0.52 H new ATOM 0 HB2 GLU A 63 -3.292 8.836 3.479 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -1.722 8.173 3.890 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -1.417 9.855 5.663 1.00 0.77 H new ATOM 0 HG3 GLU A 63 -2.895 10.671 5.194 1.00 0.77 H new ATOM 998 N LEU A 64 -2.119 9.066 0.699 1.00 0.49 N ATOM 999 CA LEU A 64 -1.952 8.338 -0.556 1.00 0.54 C ATOM 1000 C LEU A 64 -0.723 8.778 -1.346 1.00 0.66 C ATOM 1001 O LEU A 64 0.043 7.927 -1.792 1.00 0.96 O ATOM 1002 CB LEU A 64 -3.216 8.540 -1.400 1.00 0.77 C ATOM 1003 CG LEU A 64 -3.784 7.264 -2.022 1.00 0.66 C ATOM 1004 CD1 LEU A 64 -5.248 7.056 -1.626 1.00 1.29 C ATOM 1005 CD2 LEU A 64 -3.751 7.355 -3.538 1.00 1.14 C ATOM 0 H LEU A 64 -3.075 9.399 0.820 1.00 0.49 H new ATOM 0 HA LEU A 64 -1.799 7.286 -0.317 1.00 0.54 H new ATOM 0 HB2 LEU A 64 -3.984 8.995 -0.775 1.00 0.77 H new ATOM 0 HB3 LEU A 64 -2.993 9.248 -2.198 1.00 0.77 H new ATOM 0 HG LEU A 64 -3.171 6.438 -1.660 1.00 0.66 H new ATOM 0 HD11 LEU A 64 -5.622 6.141 -2.084 1.00 1.29 H new ATOM 0 HD12 LEU A 64 -5.324 6.976 -0.542 1.00 1.29 H new ATOM 0 HD13 LEU A 64 -5.842 7.903 -1.970 1.00 1.29 H new ATOM 0 HD21 LEU A 64 -4.158 6.439 -3.966 1.00 1.14 H new ATOM 0 HD22 LEU A 64 -4.349 8.206 -3.865 1.00 1.14 H new ATOM 0 HD23 LEU A 64 -2.722 7.485 -3.872 1.00 1.14 H new ATOM 1017 N GLY A 65 -0.521 10.098 -1.462 1.00 0.52 N ATOM 1018 CA GLY A 65 0.623 10.727 -2.120 1.00 0.56 C ATOM 1019 C GLY A 65 1.986 10.124 -1.753 1.00 0.54 C ATOM 1020 O GLY A 65 2.886 10.071 -2.588 1.00 0.58 O ATOM 0 H GLY A 65 -1.178 10.780 -1.084 1.00 0.52 H new ATOM 0 HA2 GLY A 65 0.488 10.656 -3.199 1.00 0.56 H new ATOM 0 HA3 GLY A 65 0.631 11.788 -1.869 1.00 0.56 H new ATOM 1024 N PHE A 66 2.131 9.639 -0.513 1.00 0.52 N ATOM 1025 CA PHE A 66 3.361 9.063 0.033 1.00 0.52 C ATOM 1026 C PHE A 66 3.060 7.895 0.999 1.00 0.49 C ATOM 1027 O PHE A 66 3.742 7.704 2.009 1.00 0.65 O ATOM 1028 CB PHE A 66 4.217 10.195 0.631 1.00 0.57 C ATOM 1029 CG PHE A 66 3.484 11.119 1.587 1.00 0.51 C ATOM 1030 CD1 PHE A 66 3.403 10.802 2.955 1.00 2.03 C ATOM 1031 CD2 PHE A 66 2.852 12.280 1.102 1.00 2.23 C ATOM 1032 CE1 PHE A 66 2.684 11.632 3.835 1.00 1.90 C ATOM 1033 CE2 PHE A 66 2.124 13.105 1.979 1.00 2.51 C ATOM 1034 CZ PHE A 66 2.038 12.780 3.343 1.00 1.02 C ATOM 0 H PHE A 66 1.365 9.638 0.160 1.00 0.52 H new ATOM 0 HA PHE A 66 3.953 8.603 -0.758 1.00 0.52 H new ATOM 0 HB2 PHE A 66 5.063 9.751 1.156 1.00 0.57 H new ATOM 0 HB3 PHE A 66 4.625 10.791 -0.185 1.00 0.57 H new ATOM 0 HD1 PHE A 66 3.895 9.917 3.332 1.00 2.03 H new ATOM 0 HD2 PHE A 66 2.926 12.538 0.056 1.00 2.23 H new ATOM 0 HE1 PHE A 66 2.628 11.388 4.886 1.00 1.90 H new ATOM 0 HE2 PHE A 66 1.631 13.989 1.603 1.00 2.51 H new ATOM 0 HZ PHE A 66 1.475 13.412 4.014 1.00 1.02 H new ATOM 1044 N ILE A 67 2.068 7.063 0.651 1.00 0.43 N ATOM 1045 CA ILE A 67 1.631 5.817 1.295 1.00 0.37 C ATOM 1046 C ILE A 67 2.822 4.909 1.603 1.00 0.39 C ATOM 1047 O ILE A 67 2.959 4.361 2.700 1.00 0.42 O ATOM 1048 CB ILE A 67 0.574 5.203 0.340 1.00 0.54 C ATOM 1049 CG1 ILE A 67 -0.093 3.935 0.880 1.00 1.02 C ATOM 1050 CG2 ILE A 67 1.054 4.961 -1.103 1.00 1.32 C ATOM 1051 CD1 ILE A 67 0.649 2.629 0.596 1.00 0.73 C ATOM 0 H ILE A 67 1.496 7.266 -0.169 1.00 0.43 H new ATOM 0 HA ILE A 67 1.178 5.979 2.273 1.00 0.37 H new ATOM 0 HB ILE A 67 -0.174 5.994 0.298 1.00 0.54 H new ATOM 0 HG12 ILE A 67 -0.211 4.039 1.959 1.00 1.02 H new ATOM 0 HG13 ILE A 67 -1.094 3.863 0.456 1.00 1.02 H new ATOM 0 HG21 ILE A 67 0.242 4.530 -1.689 1.00 1.32 H new ATOM 0 HG22 ILE A 67 1.360 5.908 -1.548 1.00 1.32 H new ATOM 0 HG23 ILE A 67 1.900 4.273 -1.095 1.00 1.32 H new ATOM 0 HD11 ILE A 67 0.092 1.794 1.021 1.00 0.73 H new ATOM 0 HD12 ILE A 67 0.744 2.491 -0.481 1.00 0.73 H new ATOM 0 HD13 ILE A 67 1.641 2.669 1.045 1.00 0.73 H new ATOM 1063 N LEU A 68 3.745 4.840 0.645 1.00 0.45 N ATOM 1064 CA LEU A 68 4.995 4.112 0.722 1.00 0.52 C ATOM 1065 C LEU A 68 5.884 4.524 1.898 1.00 0.51 C ATOM 1066 O LEU A 68 6.666 3.683 2.329 1.00 0.51 O ATOM 1067 CB LEU A 68 5.713 4.271 -0.625 1.00 0.63 C ATOM 1068 CG LEU A 68 5.110 3.354 -1.700 1.00 0.86 C ATOM 1069 CD1 LEU A 68 4.788 4.129 -2.977 1.00 1.18 C ATOM 1070 CD2 LEU A 68 6.113 2.225 -1.969 1.00 1.77 C ATOM 0 H LEU A 68 3.628 5.317 -0.249 1.00 0.45 H new ATOM 0 HA LEU A 68 4.772 3.063 0.917 1.00 0.52 H new ATOM 0 HB2 LEU A 68 5.647 5.309 -0.953 1.00 0.63 H new ATOM 0 HB3 LEU A 68 6.772 4.042 -0.503 1.00 0.63 H new ATOM 0 HG LEU A 68 4.166 2.938 -1.348 1.00 0.86 H new ATOM 0 HD11 LEU A 68 4.363 3.451 -3.717 1.00 1.18 H new ATOM 0 HD12 LEU A 68 4.070 4.918 -2.753 1.00 1.18 H new ATOM 0 HD13 LEU A 68 5.701 4.572 -3.374 1.00 1.18 H new ATOM 0 HD21 LEU A 68 5.712 1.556 -2.730 1.00 1.77 H new ATOM 0 HD22 LEU A 68 7.054 2.650 -2.319 1.00 1.77 H new ATOM 0 HD23 LEU A 68 6.287 1.666 -1.050 1.00 1.77 H new ATOM 1082 N LYS A 69 5.758 5.737 2.471 1.00 0.54 N ATOM 1083 CA LYS A 69 6.540 6.143 3.655 1.00 0.60 C ATOM 1084 C LYS A 69 6.165 5.341 4.906 1.00 0.58 C ATOM 1085 O LYS A 69 6.839 5.483 5.923 1.00 0.75 O ATOM 1086 CB LYS A 69 6.439 7.657 3.925 1.00 0.76 C ATOM 1087 CG LYS A 69 7.310 8.507 2.990 1.00 0.75 C ATOM 1088 CD LYS A 69 7.377 9.990 3.396 1.00 1.94 C ATOM 1089 CE LYS A 69 8.626 10.339 4.226 1.00 1.58 C ATOM 1090 NZ LYS A 69 8.676 9.652 5.540 1.00 2.23 N ATOM 0 H LYS A 69 5.119 6.456 2.131 1.00 0.54 H new ATOM 0 HA LYS A 69 7.580 5.915 3.421 1.00 0.60 H new ATOM 0 HB2 LYS A 69 5.399 7.968 3.822 1.00 0.76 H new ATOM 0 HB3 LYS A 69 6.729 7.854 4.957 1.00 0.76 H new ATOM 0 HG2 LYS A 69 8.320 8.097 2.974 1.00 0.75 H new ATOM 0 HG3 LYS A 69 6.919 8.433 1.975 1.00 0.75 H new ATOM 0 HD2 LYS A 69 7.363 10.606 2.497 1.00 1.94 H new ATOM 0 HD3 LYS A 69 6.486 10.243 3.970 1.00 1.94 H new ATOM 0 HE2 LYS A 69 9.517 10.078 3.654 1.00 1.58 H new ATOM 0 HE3 LYS A 69 8.656 11.417 4.387 1.00 1.58 H new ATOM 0 HZ1 LYS A 69 9.532 9.945 6.052 1.00 2.23 H new ATOM 0 HZ2 LYS A 69 7.835 9.906 6.097 1.00 2.23 H new ATOM 0 HZ3 LYS A 69 8.696 8.623 5.393 1.00 2.23 H new ATOM 1104 N GLY A 70 5.117 4.513 4.838 1.00 0.45 N ATOM 1105 CA GLY A 70 4.907 3.410 5.768 1.00 0.44 C ATOM 1106 C GLY A 70 5.729 2.181 5.415 1.00 0.47 C ATOM 1107 O GLY A 70 6.453 1.661 6.262 1.00 0.79 O ATOM 0 H GLY A 70 4.388 4.594 4.129 1.00 0.45 H new ATOM 0 HA2 GLY A 70 5.163 3.736 6.776 1.00 0.44 H new ATOM 0 HA3 GLY A 70 3.850 3.145 5.778 1.00 0.44 H new ATOM 1111 N PHE A 71 5.619 1.716 4.168 1.00 0.35 N ATOM 1112 CA PHE A 71 6.382 0.571 3.691 1.00 0.38 C ATOM 1113 C PHE A 71 7.898 0.761 3.836 1.00 0.43 C ATOM 1114 O PHE A 71 8.546 -0.215 4.213 1.00 0.58 O ATOM 1115 CB PHE A 71 5.981 0.215 2.251 1.00 0.43 C ATOM 1116 CG PHE A 71 4.536 -0.222 2.058 1.00 0.58 C ATOM 1117 CD1 PHE A 71 3.975 -1.229 2.872 1.00 1.95 C ATOM 1118 CD2 PHE A 71 3.776 0.303 0.993 1.00 2.32 C ATOM 1119 CE1 PHE A 71 2.671 -1.697 2.626 1.00 2.00 C ATOM 1120 CE2 PHE A 71 2.477 -0.175 0.742 1.00 2.41 C ATOM 1121 CZ PHE A 71 1.926 -1.178 1.555 1.00 0.97 C ATOM 0 H PHE A 71 5.000 2.124 3.467 1.00 0.35 H new ATOM 0 HA PHE A 71 6.129 -0.273 4.332 1.00 0.38 H new ATOM 0 HB2 PHE A 71 6.167 1.082 1.617 1.00 0.43 H new ATOM 0 HB3 PHE A 71 6.633 -0.584 1.899 1.00 0.43 H new ATOM 0 HD1 PHE A 71 4.549 -1.643 3.688 1.00 1.95 H new ATOM 0 HD2 PHE A 71 4.194 1.077 0.366 1.00 2.32 H new ATOM 0 HE1 PHE A 71 2.242 -2.457 3.262 1.00 2.00 H new ATOM 0 HE2 PHE A 71 1.903 0.230 -0.078 1.00 2.41 H new ATOM 0 HZ PHE A 71 0.931 -1.550 1.357 1.00 0.97 H new ATOM 1131 N SER A 72 8.481 1.954 3.575 1.00 0.38 N ATOM 1132 CA SER A 72 9.917 2.237 3.732 1.00 0.39 C ATOM 1133 C SER A 72 10.323 3.636 3.235 1.00 0.42 C ATOM 1134 O SER A 72 9.496 4.355 2.675 1.00 0.48 O ATOM 1135 CB SER A 72 10.699 1.181 2.950 1.00 0.40 C ATOM 1136 OG SER A 72 11.056 0.169 3.854 1.00 0.83 O ATOM 0 H SER A 72 7.951 2.760 3.243 1.00 0.38 H new ATOM 0 HA SER A 72 10.144 2.207 4.798 1.00 0.39 H new ATOM 0 HB2 SER A 72 10.092 0.776 2.140 1.00 0.40 H new ATOM 0 HB3 SER A 72 11.587 1.620 2.495 1.00 0.40 H new ATOM 0 HG SER A 72 10.248 -0.195 4.273 1.00 0.83 H new ATOM 1142 N PRO A 73 11.595 4.048 3.410 1.00 0.43 N ATOM 1143 CA PRO A 73 12.133 5.224 2.732 1.00 0.46 C ATOM 1144 C PRO A 73 12.309 4.997 1.214 1.00 0.48 C ATOM 1145 O PRO A 73 12.129 3.900 0.694 1.00 0.49 O ATOM 1146 CB PRO A 73 13.451 5.528 3.452 1.00 0.49 C ATOM 1147 CG PRO A 73 13.924 4.151 3.909 1.00 0.50 C ATOM 1148 CD PRO A 73 12.620 3.433 4.248 1.00 0.46 C ATOM 0 HA PRO A 73 11.451 6.073 2.786 1.00 0.46 H new ATOM 0 HB2 PRO A 73 14.173 6.002 2.787 1.00 0.49 H new ATOM 0 HB3 PRO A 73 13.303 6.203 4.295 1.00 0.49 H new ATOM 0 HG2 PRO A 73 14.477 3.634 3.125 1.00 0.50 H new ATOM 0 HG3 PRO A 73 14.584 4.218 4.774 1.00 0.50 H new ATOM 0 HD2 PRO A 73 12.699 2.364 4.048 1.00 0.46 H new ATOM 0 HD3 PRO A 73 12.377 3.542 5.305 1.00 0.46 H new ATOM 1156 N ASP A 74 12.606 6.097 0.513 1.00 0.53 N ATOM 1157 CA ASP A 74 12.540 6.300 -0.954 1.00 0.66 C ATOM 1158 C ASP A 74 11.116 6.173 -1.530 1.00 0.66 C ATOM 1159 O ASP A 74 10.888 6.183 -2.733 1.00 0.91 O ATOM 1160 CB ASP A 74 13.598 5.488 -1.724 1.00 0.92 C ATOM 1161 CG ASP A 74 13.796 6.037 -3.146 1.00 2.01 C ATOM 1162 OD1 ASP A 74 14.166 7.233 -3.265 1.00 2.87 O ATOM 1163 OD2 ASP A 74 13.567 5.284 -4.116 1.00 3.13 O ATOM 0 H ASP A 74 12.925 6.941 0.988 1.00 0.53 H new ATOM 0 HA ASP A 74 12.809 7.344 -1.116 1.00 0.66 H new ATOM 0 HB2 ASP A 74 14.545 5.517 -1.185 1.00 0.92 H new ATOM 0 HB3 ASP A 74 13.292 4.443 -1.774 1.00 0.92 H new ATOM 1168 N ALA A 75 10.128 6.153 -0.642 1.00 0.63 N ATOM 1169 CA ALA A 75 8.738 6.467 -0.892 1.00 0.85 C ATOM 1170 C ALA A 75 8.546 7.900 -1.413 1.00 1.31 C ATOM 1171 O ALA A 75 8.328 8.838 -0.640 1.00 3.30 O ATOM 1172 CB ALA A 75 8.057 6.280 0.445 1.00 0.67 C ATOM 0 H ALA A 75 10.294 5.900 0.332 1.00 0.63 H new ATOM 0 HA ALA A 75 8.321 5.827 -1.669 1.00 0.85 H new ATOM 0 HB1 ALA A 75 6.994 6.499 0.346 1.00 0.67 H new ATOM 0 HB2 ALA A 75 8.186 5.250 0.778 1.00 0.67 H new ATOM 0 HB3 ALA A 75 8.500 6.956 1.176 1.00 0.67 H new ATOM 1178 N ARG A 76 8.667 8.068 -2.733 1.00 0.86 N ATOM 1179 CA ARG A 76 8.510 9.357 -3.417 1.00 0.74 C ATOM 1180 C ARG A 76 7.036 9.757 -3.532 1.00 0.73 C ATOM 1181 O ARG A 76 6.140 8.934 -3.350 1.00 1.01 O ATOM 1182 CB ARG A 76 9.220 9.316 -4.789 1.00 0.80 C ATOM 1183 CG ARG A 76 10.643 8.764 -4.615 1.00 0.72 C ATOM 1184 CD ARG A 76 11.672 9.144 -5.678 1.00 0.86 C ATOM 1185 NE ARG A 76 13.012 9.057 -5.063 1.00 1.40 N ATOM 1186 CZ ARG A 76 13.721 10.054 -4.554 1.00 1.93 C ATOM 1187 NH1 ARG A 76 13.467 11.316 -4.819 1.00 2.79 N ATOM 1188 NH2 ARG A 76 14.691 9.773 -3.724 1.00 2.59 N ATOM 0 H ARG A 76 8.881 7.299 -3.368 1.00 0.86 H new ATOM 0 HA ARG A 76 8.987 10.133 -2.818 1.00 0.74 H new ATOM 0 HB2 ARG A 76 8.658 8.690 -5.482 1.00 0.80 H new ATOM 0 HB3 ARG A 76 9.257 10.316 -5.221 1.00 0.80 H new ATOM 0 HG2 ARG A 76 11.018 9.096 -3.647 1.00 0.72 H new ATOM 0 HG3 ARG A 76 10.582 7.676 -4.577 1.00 0.72 H new ATOM 0 HD2 ARG A 76 11.601 8.474 -6.535 1.00 0.86 H new ATOM 0 HD3 ARG A 76 11.486 10.153 -6.046 1.00 0.86 H new ATOM 0 HE ARG A 76 13.437 8.131 -5.026 1.00 1.40 H new ATOM 0 HH11 ARG A 76 12.696 11.562 -5.440 1.00 2.79 H new ATOM 0 HH12 ARG A 76 14.041 12.050 -4.403 1.00 2.79 H new ATOM 0 HH21 ARG A 76 14.889 8.802 -3.481 1.00 2.59 H new ATOM 0 HH22 ARG A 76 15.250 10.524 -3.320 1.00 2.59 H new ATOM 1202 N ASP A 77 6.806 11.031 -3.855 1.00 0.60 N ATOM 1203 CA ASP A 77 5.492 11.569 -4.203 1.00 0.62 C ATOM 1204 C ASP A 77 5.024 10.948 -5.530 1.00 0.67 C ATOM 1205 O ASP A 77 5.526 11.313 -6.595 1.00 0.84 O ATOM 1206 CB ASP A 77 5.580 13.105 -4.256 1.00 0.67 C ATOM 1207 CG ASP A 77 4.209 13.779 -4.369 1.00 2.32 C ATOM 1208 OD1 ASP A 77 3.328 13.418 -3.556 1.00 3.64 O ATOM 1209 OD2 ASP A 77 4.082 14.687 -5.221 1.00 3.39 O ATOM 0 H ASP A 77 7.546 11.732 -3.882 1.00 0.60 H new ATOM 0 HA ASP A 77 4.747 11.311 -3.450 1.00 0.62 H new ATOM 0 HB2 ASP A 77 6.083 13.466 -3.359 1.00 0.67 H new ATOM 0 HB3 ASP A 77 6.195 13.399 -5.107 1.00 0.67 H new ATOM 1214 N LEU A 78 4.136 9.946 -5.463 1.00 0.58 N ATOM 1215 CA LEU A 78 3.582 9.309 -6.664 1.00 0.67 C ATOM 1216 C LEU A 78 2.700 10.295 -7.459 1.00 0.45 C ATOM 1217 O LEU A 78 2.204 11.290 -6.931 1.00 0.41 O ATOM 1218 CB LEU A 78 2.889 7.963 -6.332 1.00 1.02 C ATOM 1219 CG LEU A 78 2.001 7.897 -5.068 1.00 1.16 C ATOM 1220 CD1 LEU A 78 0.822 8.861 -5.160 1.00 2.95 C ATOM 1221 CD2 LEU A 78 1.440 6.496 -4.844 1.00 2.42 C ATOM 0 H LEU A 78 3.786 9.559 -4.587 1.00 0.58 H new ATOM 0 HA LEU A 78 4.405 9.047 -7.328 1.00 0.67 H new ATOM 0 HB2 LEU A 78 2.274 7.684 -7.187 1.00 1.02 H new ATOM 0 HB3 LEU A 78 3.664 7.203 -6.236 1.00 1.02 H new ATOM 0 HG LEU A 78 2.646 8.175 -4.235 1.00 1.16 H new ATOM 0 HD11 LEU A 78 0.220 8.787 -4.254 1.00 2.95 H new ATOM 0 HD12 LEU A 78 1.193 9.880 -5.267 1.00 2.95 H new ATOM 0 HD13 LEU A 78 0.209 8.605 -6.025 1.00 2.95 H new ATOM 0 HD21 LEU A 78 0.822 6.491 -3.946 1.00 2.42 H new ATOM 0 HD22 LEU A 78 0.835 6.205 -5.703 1.00 2.42 H new ATOM 0 HD23 LEU A 78 2.262 5.790 -4.722 1.00 2.42 H new ATOM 1233 N SER A 79 2.509 10.037 -8.757 1.00 0.51 N ATOM 1234 CA SER A 79 1.750 10.928 -9.639 1.00 0.46 C ATOM 1235 C SER A 79 0.287 11.034 -9.203 1.00 0.34 C ATOM 1236 O SER A 79 -0.309 10.065 -8.730 1.00 0.32 O ATOM 1237 CB SER A 79 1.855 10.377 -11.060 1.00 0.53 C ATOM 1238 OG SER A 79 1.150 11.108 -12.031 1.00 1.29 O ATOM 0 H SER A 79 2.875 9.207 -9.224 1.00 0.51 H new ATOM 0 HA SER A 79 2.164 11.935 -9.590 1.00 0.46 H new ATOM 0 HB2 SER A 79 2.907 10.343 -11.344 1.00 0.53 H new ATOM 0 HB3 SER A 79 1.491 9.350 -11.064 1.00 0.53 H new ATOM 0 HG SER A 79 1.452 10.841 -12.924 1.00 1.29 H new ATOM 1244 N ALA A 80 -0.344 12.189 -9.444 1.00 0.40 N ATOM 1245 CA ALA A 80 -1.776 12.355 -9.203 1.00 0.48 C ATOM 1246 C ALA A 80 -2.619 11.339 -10.001 1.00 0.43 C ATOM 1247 O ALA A 80 -3.677 10.914 -9.530 1.00 0.53 O ATOM 1248 CB ALA A 80 -2.173 13.798 -9.520 1.00 0.75 C ATOM 0 H ALA A 80 0.119 13.023 -9.807 1.00 0.40 H new ATOM 0 HA ALA A 80 -1.981 12.153 -8.152 1.00 0.48 H new ATOM 0 HB1 ALA A 80 -3.240 13.929 -9.342 1.00 0.75 H new ATOM 0 HB2 ALA A 80 -1.612 14.479 -8.879 1.00 0.75 H new ATOM 0 HB3 ALA A 80 -1.950 14.016 -10.564 1.00 0.75 H new ATOM 1254 N LYS A 81 -2.128 10.898 -11.175 1.00 0.40 N ATOM 1255 CA LYS A 81 -2.761 9.827 -11.959 1.00 0.40 C ATOM 1256 C LYS A 81 -2.669 8.475 -11.237 1.00 0.40 C ATOM 1257 O LYS A 81 -3.660 7.749 -11.198 1.00 0.44 O ATOM 1258 CB LYS A 81 -2.183 9.704 -13.385 1.00 0.49 C ATOM 1259 CG LYS A 81 -1.676 11.003 -14.036 1.00 0.50 C ATOM 1260 CD LYS A 81 -1.562 10.879 -15.561 1.00 1.81 C ATOM 1261 CE LYS A 81 -2.919 11.076 -16.250 1.00 2.19 C ATOM 1262 NZ LYS A 81 -3.200 12.510 -16.504 1.00 2.78 N ATOM 0 H LYS A 81 -1.283 11.275 -11.604 1.00 0.40 H new ATOM 0 HA LYS A 81 -3.810 10.108 -12.055 1.00 0.40 H new ATOM 0 HB2 LYS A 81 -1.358 8.992 -13.358 1.00 0.49 H new ATOM 0 HB3 LYS A 81 -2.952 9.277 -14.029 1.00 0.49 H new ATOM 0 HG2 LYS A 81 -2.354 11.820 -13.789 1.00 0.50 H new ATOM 0 HG3 LYS A 81 -0.702 11.260 -13.620 1.00 0.50 H new ATOM 0 HD2 LYS A 81 -0.854 11.619 -15.934 1.00 1.81 H new ATOM 0 HD3 LYS A 81 -1.163 9.898 -15.817 1.00 1.81 H new ATOM 0 HE2 LYS A 81 -2.931 10.530 -17.193 1.00 2.19 H new ATOM 0 HE3 LYS A 81 -3.708 10.655 -15.627 1.00 2.19 H new ATOM 0 HZ1 LYS A 81 -4.125 12.605 -16.970 1.00 2.78 H new ATOM 0 HZ2 LYS A 81 -3.213 13.026 -15.601 1.00 2.78 H new ATOM 0 HZ3 LYS A 81 -2.460 12.905 -17.119 1.00 2.78 H new ATOM 1276 N GLU A 82 -1.505 8.184 -10.635 1.00 0.43 N ATOM 1277 CA GLU A 82 -1.263 7.038 -9.753 1.00 0.48 C ATOM 1278 C GLU A 82 -2.284 7.094 -8.621 1.00 0.43 C ATOM 1279 O GLU A 82 -3.135 6.217 -8.548 1.00 0.48 O ATOM 1280 CB GLU A 82 0.198 7.060 -9.246 1.00 0.58 C ATOM 1281 CG GLU A 82 0.893 5.688 -9.142 1.00 0.84 C ATOM 1282 CD GLU A 82 0.631 4.960 -7.831 1.00 1.52 C ATOM 1283 OE1 GLU A 82 -0.500 5.109 -7.333 1.00 2.88 O ATOM 1284 OE2 GLU A 82 1.521 4.203 -7.384 1.00 2.21 O ATOM 0 H GLU A 82 -0.676 8.765 -10.756 1.00 0.43 H new ATOM 0 HA GLU A 82 -1.388 6.094 -10.284 1.00 0.48 H new ATOM 0 HB2 GLU A 82 0.784 7.693 -9.912 1.00 0.58 H new ATOM 0 HB3 GLU A 82 0.214 7.530 -8.263 1.00 0.58 H new ATOM 0 HG2 GLU A 82 0.560 5.060 -9.968 1.00 0.84 H new ATOM 0 HG3 GLU A 82 1.968 5.826 -9.261 1.00 0.84 H new ATOM 1291 N THR A 83 -2.308 8.196 -7.855 1.00 0.39 N ATOM 1292 CA THR A 83 -3.284 8.460 -6.790 1.00 0.39 C ATOM 1293 C THR A 83 -4.726 8.151 -7.207 1.00 0.44 C ATOM 1294 O THR A 83 -5.427 7.435 -6.489 1.00 0.49 O ATOM 1295 CB THR A 83 -3.108 9.893 -6.240 1.00 0.51 C ATOM 1296 OG1 THR A 83 -2.252 9.835 -5.126 1.00 1.47 O ATOM 1297 CG2 THR A 83 -4.375 10.625 -5.779 1.00 1.56 C ATOM 0 H THR A 83 -1.628 8.949 -7.964 1.00 0.39 H new ATOM 0 HA THR A 83 -3.078 7.766 -5.975 1.00 0.39 H new ATOM 0 HB THR A 83 -2.726 10.460 -7.089 1.00 0.51 H new ATOM 0 HG1 THR A 83 -2.126 10.737 -4.763 1.00 1.47 H new ATOM 0 HG21 THR A 83 -4.110 11.618 -5.417 1.00 1.56 H new ATOM 0 HG22 THR A 83 -5.067 10.717 -6.616 1.00 1.56 H new ATOM 0 HG23 THR A 83 -4.849 10.061 -4.976 1.00 1.56 H new ATOM 1305 N LYS A 84 -5.176 8.646 -8.369 1.00 0.50 N ATOM 1306 CA LYS A 84 -6.537 8.413 -8.867 1.00 0.59 C ATOM 1307 C LYS A 84 -6.826 6.924 -9.121 1.00 0.63 C ATOM 1308 O LYS A 84 -7.863 6.416 -8.689 1.00 0.76 O ATOM 1309 CB LYS A 84 -6.783 9.290 -10.112 1.00 0.60 C ATOM 1310 CG LYS A 84 -8.196 9.891 -10.102 1.00 1.30 C ATOM 1311 CD LYS A 84 -8.363 10.946 -11.205 1.00 1.42 C ATOM 1312 CE LYS A 84 -9.685 11.698 -11.009 1.00 2.11 C ATOM 1313 NZ LYS A 84 -9.846 12.795 -11.992 1.00 2.05 N ATOM 0 H LYS A 84 -4.605 9.220 -8.990 1.00 0.50 H new ATOM 0 HA LYS A 84 -7.246 8.708 -8.093 1.00 0.59 H new ATOM 0 HB2 LYS A 84 -6.045 10.091 -10.146 1.00 0.60 H new ATOM 0 HB3 LYS A 84 -6.646 8.692 -11.013 1.00 0.60 H new ATOM 0 HG2 LYS A 84 -8.931 9.098 -10.240 1.00 1.30 H new ATOM 0 HG3 LYS A 84 -8.394 10.344 -9.130 1.00 1.30 H new ATOM 0 HD2 LYS A 84 -7.528 11.647 -11.180 1.00 1.42 H new ATOM 0 HD3 LYS A 84 -8.348 10.467 -12.184 1.00 1.42 H new ATOM 0 HE2 LYS A 84 -10.517 11.000 -11.104 1.00 2.11 H new ATOM 0 HE3 LYS A 84 -9.724 12.106 -9.999 1.00 2.11 H new ATOM 0 HZ1 LYS A 84 -10.751 13.279 -11.827 1.00 2.05 H new ATOM 0 HZ2 LYS A 84 -9.066 13.474 -11.885 1.00 2.05 H new ATOM 0 HZ3 LYS A 84 -9.834 12.403 -12.955 1.00 2.05 H new ATOM 1327 N MET A 85 -5.904 6.217 -9.787 1.00 0.60 N ATOM 1328 CA MET A 85 -5.995 4.770 -10.023 1.00 0.78 C ATOM 1329 C MET A 85 -5.884 3.962 -8.721 1.00 0.76 C ATOM 1330 O MET A 85 -6.670 3.041 -8.503 1.00 0.89 O ATOM 1331 CB MET A 85 -4.906 4.326 -11.012 1.00 0.90 C ATOM 1332 CG MET A 85 -5.119 4.922 -12.407 1.00 1.74 C ATOM 1333 SD MET A 85 -3.854 4.428 -13.604 1.00 2.54 S ATOM 1334 CE MET A 85 -4.381 5.421 -15.024 1.00 3.35 C ATOM 0 H MET A 85 -5.064 6.639 -10.182 1.00 0.60 H new ATOM 0 HA MET A 85 -6.979 4.571 -10.448 1.00 0.78 H new ATOM 0 HB2 MET A 85 -3.929 4.627 -10.634 1.00 0.90 H new ATOM 0 HB3 MET A 85 -4.900 3.238 -11.080 1.00 0.90 H new ATOM 0 HG2 MET A 85 -6.098 4.617 -12.778 1.00 1.74 H new ATOM 0 HG3 MET A 85 -5.131 6.009 -12.331 1.00 1.74 H new ATOM 0 HE1 MET A 85 -3.709 5.242 -15.863 1.00 3.35 H new ATOM 0 HE2 MET A 85 -5.396 5.142 -15.306 1.00 3.35 H new ATOM 0 HE3 MET A 85 -4.356 6.478 -14.758 1.00 3.35 H new ATOM 1344 N LEU A 86 -4.937 4.321 -7.851 1.00 0.65 N ATOM 1345 CA LEU A 86 -4.695 3.739 -6.537 1.00 0.67 C ATOM 1346 C LEU A 86 -5.946 3.845 -5.674 1.00 0.63 C ATOM 1347 O LEU A 86 -6.349 2.827 -5.128 1.00 0.73 O ATOM 1348 CB LEU A 86 -3.449 4.393 -5.904 1.00 0.64 C ATOM 1349 CG LEU A 86 -2.852 3.671 -4.678 1.00 0.86 C ATOM 1350 CD1 LEU A 86 -1.442 4.162 -4.343 1.00 2.61 C ATOM 1351 CD2 LEU A 86 -3.630 3.726 -3.369 1.00 1.90 C ATOM 0 H LEU A 86 -4.281 5.073 -8.062 1.00 0.65 H new ATOM 0 HA LEU A 86 -4.481 2.674 -6.627 1.00 0.67 H new ATOM 0 HB2 LEU A 86 -2.675 4.468 -6.668 1.00 0.64 H new ATOM 0 HB3 LEU A 86 -3.707 5.411 -5.611 1.00 0.64 H new ATOM 0 HG LEU A 86 -2.882 2.641 -5.032 1.00 0.86 H new ATOM 0 HD11 LEU A 86 -1.066 3.623 -3.473 1.00 2.61 H new ATOM 0 HD12 LEU A 86 -0.783 3.984 -5.193 1.00 2.61 H new ATOM 0 HD13 LEU A 86 -1.471 5.229 -4.124 1.00 2.61 H new ATOM 0 HD21 LEU A 86 -3.088 3.175 -2.600 1.00 1.90 H new ATOM 0 HD22 LEU A 86 -3.746 4.764 -3.058 1.00 1.90 H new ATOM 0 HD23 LEU A 86 -4.613 3.278 -3.511 1.00 1.90 H new ATOM 1363 N MET A 87 -6.601 5.011 -5.583 1.00 0.56 N ATOM 1364 CA MET A 87 -7.899 5.126 -4.909 1.00 0.65 C ATOM 1365 C MET A 87 -8.917 4.135 -5.479 1.00 0.81 C ATOM 1366 O MET A 87 -9.432 3.309 -4.728 1.00 0.92 O ATOM 1367 CB MET A 87 -8.452 6.558 -4.981 1.00 0.74 C ATOM 1368 CG MET A 87 -7.719 7.483 -4.011 1.00 1.89 C ATOM 1369 SD MET A 87 -8.473 9.117 -3.821 1.00 2.17 S ATOM 1370 CE MET A 87 -9.796 8.716 -2.649 1.00 3.01 C ATOM 0 H MET A 87 -6.251 5.888 -5.969 1.00 0.56 H new ATOM 0 HA MET A 87 -7.732 4.880 -3.860 1.00 0.65 H new ATOM 0 HB2 MET A 87 -8.351 6.939 -5.997 1.00 0.74 H new ATOM 0 HB3 MET A 87 -9.517 6.552 -4.747 1.00 0.74 H new ATOM 0 HG2 MET A 87 -7.673 7.002 -3.034 1.00 1.89 H new ATOM 0 HG3 MET A 87 -6.692 7.608 -4.353 1.00 1.89 H new ATOM 0 HE1 MET A 87 -10.365 9.617 -2.420 1.00 3.01 H new ATOM 0 HE2 MET A 87 -10.458 7.970 -3.089 1.00 3.01 H new ATOM 0 HE3 MET A 87 -9.361 8.319 -1.732 1.00 3.01 H new ATOM 1380 N ALA A 88 -9.183 4.195 -6.791 1.00 0.85 N ATOM 1381 CA ALA A 88 -10.184 3.355 -7.451 1.00 1.00 C ATOM 1382 C ALA A 88 -9.922 1.843 -7.308 1.00 1.00 C ATOM 1383 O ALA A 88 -10.870 1.076 -7.158 1.00 1.11 O ATOM 1384 CB ALA A 88 -10.264 3.766 -8.925 1.00 1.15 C ATOM 0 H ALA A 88 -8.704 4.834 -7.426 1.00 0.85 H new ATOM 0 HA ALA A 88 -11.139 3.521 -6.953 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -11.005 3.151 -9.435 1.00 1.15 H new ATOM 0 HB2 ALA A 88 -10.553 4.815 -8.995 1.00 1.15 H new ATOM 0 HB3 ALA A 88 -9.291 3.625 -9.395 1.00 1.15 H new ATOM 1390 N ALA A 89 -8.657 1.406 -7.340 1.00 0.98 N ATOM 1391 CA ALA A 89 -8.276 0.016 -7.091 1.00 1.07 C ATOM 1392 C ALA A 89 -8.297 -0.329 -5.591 1.00 0.84 C ATOM 1393 O ALA A 89 -8.924 -1.306 -5.188 1.00 0.85 O ATOM 1394 CB ALA A 89 -6.887 -0.218 -7.698 1.00 1.35 C ATOM 0 H ALA A 89 -7.864 2.015 -7.542 1.00 0.98 H new ATOM 0 HA ALA A 89 -9.004 -0.645 -7.562 1.00 1.07 H new ATOM 0 HB1 ALA A 89 -6.583 -1.250 -7.524 1.00 1.35 H new ATOM 0 HB2 ALA A 89 -6.922 -0.026 -8.770 1.00 1.35 H new ATOM 0 HB3 ALA A 89 -6.168 0.456 -7.232 1.00 1.35 H new ATOM 1400 N GLY A 90 -7.594 0.470 -4.780 1.00 0.80 N ATOM 1401 CA GLY A 90 -7.447 0.413 -3.326 1.00 0.75 C ATOM 1402 C GLY A 90 -8.768 0.225 -2.600 1.00 0.60 C ATOM 1403 O GLY A 90 -8.952 -0.732 -1.848 1.00 0.66 O ATOM 0 H GLY A 90 -7.062 1.249 -5.167 1.00 0.80 H new ATOM 0 HA2 GLY A 90 -6.777 -0.407 -3.067 1.00 0.75 H new ATOM 0 HA3 GLY A 90 -6.976 1.332 -2.978 1.00 0.75 H new ATOM 1407 N ASP A 91 -9.698 1.147 -2.839 1.00 0.50 N ATOM 1408 CA ASP A 91 -11.067 1.077 -2.357 1.00 0.47 C ATOM 1409 C ASP A 91 -11.899 0.066 -3.178 1.00 0.56 C ATOM 1410 O ASP A 91 -12.932 0.374 -3.769 1.00 0.60 O ATOM 1411 CB ASP A 91 -11.649 2.483 -2.383 1.00 0.55 C ATOM 1412 CG ASP A 91 -13.102 2.447 -1.959 1.00 0.74 C ATOM 1413 OD1 ASP A 91 -13.408 2.039 -0.811 1.00 0.75 O ATOM 1414 OD2 ASP A 91 -13.944 2.883 -2.762 1.00 1.28 O ATOM 0 H ASP A 91 -9.510 1.985 -3.389 1.00 0.50 H new ATOM 0 HA ASP A 91 -11.092 0.707 -1.332 1.00 0.47 H new ATOM 0 HB2 ASP A 91 -11.082 3.133 -1.716 1.00 0.55 H new ATOM 0 HB3 ASP A 91 -11.564 2.903 -3.385 1.00 0.55 H new ATOM 1419 N LYS A 92 -11.504 -1.206 -3.156 1.00 0.74 N ATOM 1420 CA LYS A 92 -12.266 -2.290 -3.797 1.00 0.91 C ATOM 1421 C LYS A 92 -13.674 -2.532 -3.249 1.00 0.93 C ATOM 1422 O LYS A 92 -14.426 -3.357 -3.759 1.00 1.23 O ATOM 1423 CB LYS A 92 -11.473 -3.572 -3.674 1.00 1.13 C ATOM 1424 CG LYS A 92 -11.254 -4.073 -2.232 1.00 2.50 C ATOM 1425 CD LYS A 92 -11.592 -5.563 -2.048 1.00 3.75 C ATOM 1426 CE LYS A 92 -13.048 -5.740 -1.608 1.00 5.27 C ATOM 1427 NZ LYS A 92 -13.343 -7.163 -1.315 1.00 6.50 N ATOM 0 H LYS A 92 -10.649 -1.519 -2.696 1.00 0.74 H new ATOM 0 HA LYS A 92 -12.410 -1.972 -4.830 1.00 0.91 H new ATOM 0 HB2 LYS A 92 -11.984 -4.352 -4.239 1.00 1.13 H new ATOM 0 HB3 LYS A 92 -10.500 -3.425 -4.142 1.00 1.13 H new ATOM 0 HG2 LYS A 92 -10.214 -3.906 -1.951 1.00 2.50 H new ATOM 0 HG3 LYS A 92 -11.867 -3.482 -1.552 1.00 2.50 H new ATOM 0 HD2 LYS A 92 -11.422 -6.097 -2.983 1.00 3.75 H new ATOM 0 HD3 LYS A 92 -10.927 -6.002 -1.305 1.00 3.75 H new ATOM 0 HE2 LYS A 92 -13.241 -5.135 -0.722 1.00 5.27 H new ATOM 0 HE3 LYS A 92 -13.715 -5.380 -2.391 1.00 5.27 H new ATOM 0 HZ1 LYS A 92 -14.335 -7.258 -1.019 1.00 6.50 H new ATOM 0 HZ2 LYS A 92 -13.180 -7.734 -2.169 1.00 6.50 H new ATOM 0 HZ3 LYS A 92 -12.721 -7.497 -0.552 1.00 6.50 H new ATOM 1441 N ASP A 93 -13.969 -1.861 -2.148 1.00 0.79 N ATOM 1442 CA ASP A 93 -15.173 -1.941 -1.348 1.00 0.92 C ATOM 1443 C ASP A 93 -16.159 -0.808 -1.692 1.00 0.85 C ATOM 1444 O ASP A 93 -17.300 -0.837 -1.244 1.00 1.05 O ATOM 1445 CB ASP A 93 -14.663 -1.857 0.089 1.00 1.17 C ATOM 1446 CG ASP A 93 -15.630 -2.360 1.148 1.00 0.80 C ATOM 1447 OD1 ASP A 93 -16.139 -3.488 0.982 1.00 1.23 O ATOM 1448 OD2 ASP A 93 -15.729 -1.623 2.153 1.00 1.07 O ATOM 0 H ASP A 93 -13.310 -1.186 -1.759 1.00 0.79 H new ATOM 0 HA ASP A 93 -15.741 -2.854 -1.526 1.00 0.92 H new ATOM 0 HB2 ASP A 93 -13.738 -2.429 0.163 1.00 1.17 H new ATOM 0 HB3 ASP A 93 -14.415 -0.819 0.310 1.00 1.17 H new ATOM 1453 N GLY A 94 -15.739 0.174 -2.509 1.00 0.78 N ATOM 1454 CA GLY A 94 -16.614 1.204 -3.069 1.00 0.94 C ATOM 1455 C GLY A 94 -16.981 2.351 -2.122 1.00 0.93 C ATOM 1456 O GLY A 94 -18.019 2.975 -2.336 1.00 1.23 O ATOM 0 H GLY A 94 -14.766 0.271 -2.800 1.00 0.78 H new ATOM 0 HA2 GLY A 94 -16.130 1.626 -3.950 1.00 0.94 H new ATOM 0 HA3 GLY A 94 -17.534 0.728 -3.407 1.00 0.94 H new ATOM 1460 N ASP A 95 -16.165 2.641 -1.096 1.00 0.75 N ATOM 1461 CA ASP A 95 -16.374 3.870 -0.274 1.00 0.93 C ATOM 1462 C ASP A 95 -15.664 5.122 -0.828 1.00 1.15 C ATOM 1463 O ASP A 95 -16.235 6.205 -0.928 1.00 1.97 O ATOM 1464 CB ASP A 95 -15.849 3.722 1.162 1.00 0.94 C ATOM 1465 CG ASP A 95 -16.480 2.606 1.972 1.00 1.11 C ATOM 1466 OD1 ASP A 95 -17.696 2.656 2.234 1.00 2.01 O ATOM 1467 OD2 ASP A 95 -15.663 1.742 2.375 1.00 1.05 O ATOM 0 H ASP A 95 -15.372 2.066 -0.812 1.00 0.75 H new ATOM 0 HA ASP A 95 -17.457 3.994 -0.303 1.00 0.93 H new ATOM 0 HB2 ASP A 95 -14.773 3.556 1.122 1.00 0.94 H new ATOM 0 HB3 ASP A 95 -16.007 4.664 1.688 1.00 0.94 H new ATOM 1472 N GLY A 96 -14.363 4.958 -1.057 1.00 0.63 N ATOM 1473 CA GLY A 96 -13.325 5.902 -1.465 1.00 0.69 C ATOM 1474 C GLY A 96 -12.053 5.797 -0.606 1.00 0.57 C ATOM 1475 O GLY A 96 -11.005 6.307 -0.997 1.00 0.92 O ATOM 0 H GLY A 96 -13.957 4.029 -0.944 1.00 0.63 H new ATOM 0 HA2 GLY A 96 -13.068 5.724 -2.509 1.00 0.69 H new ATOM 0 HA3 GLY A 96 -13.718 6.917 -1.402 1.00 0.69 H new ATOM 1479 N LYS A 97 -12.130 5.116 0.545 1.00 0.32 N ATOM 1480 CA LYS A 97 -11.036 4.859 1.487 1.00 0.34 C ATOM 1481 C LYS A 97 -10.531 3.408 1.423 1.00 0.34 C ATOM 1482 O LYS A 97 -11.329 2.468 1.504 1.00 0.39 O ATOM 1483 CB LYS A 97 -11.546 5.091 2.913 1.00 0.54 C ATOM 1484 CG LYS A 97 -11.920 6.530 3.301 1.00 0.87 C ATOM 1485 CD LYS A 97 -10.711 7.463 3.418 1.00 1.80 C ATOM 1486 CE LYS A 97 -10.905 8.535 4.501 1.00 2.63 C ATOM 1487 NZ LYS A 97 -11.360 9.842 3.977 1.00 3.78 N ATOM 0 H LYS A 97 -13.009 4.707 0.861 1.00 0.32 H new ATOM 0 HA LYS A 97 -10.220 5.530 1.219 1.00 0.34 H new ATOM 0 HB2 LYS A 97 -12.423 4.462 3.064 1.00 0.54 H new ATOM 0 HB3 LYS A 97 -10.780 4.743 3.606 1.00 0.54 H new ATOM 0 HG2 LYS A 97 -12.609 6.931 2.557 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -12.451 6.515 4.253 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -9.822 6.875 3.647 1.00 1.80 H new ATOM 0 HD3 LYS A 97 -10.534 7.948 2.458 1.00 1.80 H new ATOM 0 HE2 LYS A 97 -11.631 8.174 5.229 1.00 2.63 H new ATOM 0 HE3 LYS A 97 -9.964 8.675 5.032 1.00 2.63 H new ATOM 0 HZ1 LYS A 97 -10.676 10.579 4.243 1.00 3.78 H new ATOM 0 HZ2 LYS A 97 -11.433 9.794 2.941 1.00 3.78 H new ATOM 0 HZ3 LYS A 97 -12.291 10.072 4.379 1.00 3.78 H new ATOM 1501 N ILE A 98 -9.201 3.239 1.413 1.00 0.35 N ATOM 1502 CA ILE A 98 -8.508 1.952 1.633 1.00 0.41 C ATOM 1503 C ILE A 98 -8.738 1.490 3.074 1.00 0.40 C ATOM 1504 O ILE A 98 -8.357 2.206 4.001 1.00 0.41 O ATOM 1505 CB ILE A 98 -6.989 2.096 1.331 1.00 0.58 C ATOM 1506 CG1 ILE A 98 -6.848 2.367 -0.182 1.00 0.68 C ATOM 1507 CG2 ILE A 98 -6.096 0.890 1.729 1.00 0.65 C ATOM 1508 CD1 ILE A 98 -5.424 2.374 -0.743 1.00 0.61 C ATOM 0 H ILE A 98 -8.556 4.012 1.248 1.00 0.35 H new ATOM 0 HA ILE A 98 -8.914 1.202 0.954 1.00 0.41 H new ATOM 0 HB ILE A 98 -6.624 2.912 1.954 1.00 0.58 H new ATOM 0 HG12 ILE A 98 -7.423 1.613 -0.719 1.00 0.68 H new ATOM 0 HG13 ILE A 98 -7.306 3.332 -0.400 1.00 0.68 H new ATOM 0 HG21 ILE A 98 -5.059 1.104 1.471 1.00 0.65 H new ATOM 0 HG22 ILE A 98 -6.175 0.718 2.802 1.00 0.65 H new ATOM 0 HG23 ILE A 98 -6.427 0.000 1.193 1.00 0.65 H new ATOM 0 HD11 ILE A 98 -5.456 2.575 -1.814 1.00 0.61 H new ATOM 0 HD12 ILE A 98 -4.841 3.149 -0.246 1.00 0.61 H new ATOM 0 HD13 ILE A 98 -4.960 1.403 -0.570 1.00 0.61 H new ATOM 1520 N GLY A 99 -9.323 0.294 3.239 1.00 0.40 N ATOM 1521 CA GLY A 99 -9.350 -0.471 4.499 1.00 0.41 C ATOM 1522 C GLY A 99 -8.454 -1.709 4.458 1.00 0.49 C ATOM 1523 O GLY A 99 -8.232 -2.273 3.390 1.00 0.55 O ATOM 0 H GLY A 99 -9.805 -0.184 2.478 1.00 0.40 H new ATOM 0 HA2 GLY A 99 -9.033 0.175 5.318 1.00 0.41 H new ATOM 0 HA3 GLY A 99 -10.375 -0.776 4.712 1.00 0.41 H new ATOM 1527 N VAL A 100 -8.009 -2.167 5.637 1.00 0.53 N ATOM 1528 CA VAL A 100 -7.154 -3.347 5.892 1.00 0.66 C ATOM 1529 C VAL A 100 -7.427 -4.547 4.974 1.00 0.55 C ATOM 1530 O VAL A 100 -6.609 -4.913 4.129 1.00 0.73 O ATOM 1531 CB VAL A 100 -7.204 -3.727 7.399 1.00 0.84 C ATOM 1532 CG1 VAL A 100 -8.605 -3.849 8.030 1.00 0.90 C ATOM 1533 CG2 VAL A 100 -6.427 -5.006 7.714 1.00 1.17 C ATOM 0 H VAL A 100 -8.253 -1.690 6.505 1.00 0.53 H new ATOM 0 HA VAL A 100 -6.137 -3.052 5.635 1.00 0.66 H new ATOM 0 HB VAL A 100 -6.728 -2.860 7.856 1.00 0.84 H new ATOM 0 HG11 VAL A 100 -8.508 -4.118 9.082 1.00 0.90 H new ATOM 0 HG12 VAL A 100 -9.126 -2.895 7.946 1.00 0.90 H new ATOM 0 HG13 VAL A 100 -9.173 -4.620 7.509 1.00 0.90 H new ATOM 0 HG21 VAL A 100 -6.498 -5.221 8.780 1.00 1.17 H new ATOM 0 HG22 VAL A 100 -6.848 -5.836 7.147 1.00 1.17 H new ATOM 0 HG23 VAL A 100 -5.381 -4.873 7.439 1.00 1.17 H new ATOM 1543 N ASP A 101 -8.580 -5.175 5.175 1.00 0.46 N ATOM 1544 CA ASP A 101 -8.986 -6.432 4.557 1.00 0.58 C ATOM 1545 C ASP A 101 -9.301 -6.254 3.067 1.00 0.55 C ATOM 1546 O ASP A 101 -9.024 -7.113 2.226 1.00 0.63 O ATOM 1547 CB ASP A 101 -10.232 -6.887 5.319 1.00 0.71 C ATOM 1548 CG ASP A 101 -10.493 -8.372 5.080 1.00 1.11 C ATOM 1549 OD1 ASP A 101 -9.887 -9.173 5.825 1.00 1.96 O ATOM 1550 OD2 ASP A 101 -11.258 -8.678 4.141 1.00 1.95 O ATOM 0 H ASP A 101 -9.292 -4.803 5.804 1.00 0.46 H new ATOM 0 HA ASP A 101 -8.184 -7.168 4.611 1.00 0.58 H new ATOM 0 HB2 ASP A 101 -10.101 -6.702 6.385 1.00 0.71 H new ATOM 0 HB3 ASP A 101 -11.095 -6.304 4.998 1.00 0.71 H new ATOM 1555 N GLU A 102 -9.839 -5.074 2.755 1.00 0.55 N ATOM 1556 CA GLU A 102 -10.168 -4.588 1.429 1.00 0.73 C ATOM 1557 C GLU A 102 -8.892 -4.567 0.588 1.00 0.75 C ATOM 1558 O GLU A 102 -8.773 -5.328 -0.369 1.00 0.88 O ATOM 1559 CB GLU A 102 -10.824 -3.194 1.526 1.00 1.04 C ATOM 1560 CG GLU A 102 -11.975 -3.098 2.545 1.00 1.34 C ATOM 1561 CD GLU A 102 -12.319 -1.643 2.867 1.00 1.39 C ATOM 1562 OE1 GLU A 102 -12.372 -0.795 1.939 1.00 0.88 O ATOM 1563 OE2 GLU A 102 -12.542 -1.317 4.048 1.00 2.65 O ATOM 0 H GLU A 102 -10.069 -4.391 3.477 1.00 0.55 H new ATOM 0 HA GLU A 102 -10.889 -5.247 0.945 1.00 0.73 H new ATOM 0 HB2 GLU A 102 -10.059 -2.464 1.792 1.00 1.04 H new ATOM 0 HB3 GLU A 102 -11.202 -2.915 0.542 1.00 1.04 H new ATOM 0 HG2 GLU A 102 -12.856 -3.602 2.148 1.00 1.34 H new ATOM 0 HG3 GLU A 102 -11.696 -3.618 3.461 1.00 1.34 H new ATOM 1570 N PHE A 103 -7.909 -3.743 0.967 1.00 0.73 N ATOM 1571 CA PHE A 103 -6.691 -3.555 0.180 1.00 0.90 C ATOM 1572 C PHE A 103 -5.795 -4.791 0.137 1.00 0.91 C ATOM 1573 O PHE A 103 -5.086 -4.988 -0.849 1.00 0.99 O ATOM 1574 CB PHE A 103 -5.935 -2.323 0.668 1.00 1.21 C ATOM 1575 CG PHE A 103 -4.756 -2.540 1.605 1.00 0.95 C ATOM 1576 CD1 PHE A 103 -3.476 -2.827 1.095 1.00 1.60 C ATOM 1577 CD2 PHE A 103 -4.926 -2.439 2.993 1.00 3.16 C ATOM 1578 CE1 PHE A 103 -2.385 -3.018 1.962 1.00 2.79 C ATOM 1579 CE2 PHE A 103 -3.855 -2.689 3.859 1.00 4.52 C ATOM 1580 CZ PHE A 103 -2.587 -2.984 3.348 1.00 4.09 C ATOM 0 H PHE A 103 -7.937 -3.191 1.824 1.00 0.73 H new ATOM 0 HA PHE A 103 -7.001 -3.393 -0.852 1.00 0.90 H new ATOM 0 HB2 PHE A 103 -5.573 -1.784 -0.207 1.00 1.21 H new ATOM 0 HB3 PHE A 103 -6.648 -1.670 1.172 1.00 1.21 H new ATOM 0 HD1 PHE A 103 -3.330 -2.901 0.027 1.00 1.60 H new ATOM 0 HD2 PHE A 103 -5.890 -2.166 3.397 1.00 3.16 H new ATOM 0 HE1 PHE A 103 -1.397 -3.190 1.561 1.00 2.79 H new ATOM 0 HE2 PHE A 103 -4.009 -2.654 4.927 1.00 4.52 H new ATOM 0 HZ PHE A 103 -1.766 -3.185 4.020 1.00 4.09 H new ATOM 1590 N SER A 104 -5.862 -5.634 1.174 1.00 0.88 N ATOM 1591 CA SER A 104 -5.303 -6.979 1.135 1.00 0.95 C ATOM 1592 C SER A 104 -5.967 -7.816 0.038 1.00 0.97 C ATOM 1593 O SER A 104 -5.333 -8.192 -0.945 1.00 1.58 O ATOM 1594 CB SER A 104 -5.434 -7.628 2.514 1.00 1.00 C ATOM 1595 OG SER A 104 -4.931 -8.946 2.472 1.00 1.19 O ATOM 0 H SER A 104 -6.306 -5.397 2.061 1.00 0.88 H new ATOM 0 HA SER A 104 -4.243 -6.923 0.886 1.00 0.95 H new ATOM 0 HB2 SER A 104 -4.887 -7.044 3.254 1.00 1.00 H new ATOM 0 HB3 SER A 104 -6.479 -7.638 2.824 1.00 1.00 H new ATOM 0 HG SER A 104 -5.015 -9.357 3.358 1.00 1.19 H new ATOM 1601 N THR A 105 -7.259 -8.104 0.169 1.00 0.69 N ATOM 1602 CA THR A 105 -7.947 -9.073 -0.698 1.00 0.72 C ATOM 1603 C THR A 105 -8.156 -8.581 -2.135 1.00 0.69 C ATOM 1604 O THR A 105 -8.180 -9.390 -3.064 1.00 0.77 O ATOM 1605 CB THR A 105 -9.247 -9.538 -0.040 1.00 0.76 C ATOM 1606 OG1 THR A 105 -10.105 -8.450 0.260 1.00 0.74 O ATOM 1607 CG2 THR A 105 -8.871 -10.290 1.244 1.00 0.78 C ATOM 0 H THR A 105 -7.861 -7.678 0.873 1.00 0.69 H new ATOM 0 HA THR A 105 -7.286 -9.934 -0.803 1.00 0.72 H new ATOM 0 HB THR A 105 -9.792 -10.185 -0.728 1.00 0.76 H new ATOM 0 HG1 THR A 105 -9.950 -8.155 1.182 1.00 0.74 H new ATOM 0 HG21 THR A 105 -9.777 -10.637 1.741 1.00 0.78 H new ATOM 0 HG22 THR A 105 -8.244 -11.146 0.994 1.00 0.78 H new ATOM 0 HG23 THR A 105 -8.325 -9.622 1.910 1.00 0.78 H new ATOM 1615 N LEU A 106 -8.134 -7.259 -2.335 1.00 0.64 N ATOM 1616 CA LEU A 106 -7.913 -6.559 -3.610 1.00 0.58 C ATOM 1617 C LEU A 106 -6.839 -7.232 -4.472 1.00 0.64 C ATOM 1618 O LEU A 106 -7.063 -7.471 -5.655 1.00 0.90 O ATOM 1619 CB LEU A 106 -7.603 -5.078 -3.286 1.00 0.64 C ATOM 1620 CG LEU A 106 -6.644 -4.237 -4.155 1.00 1.02 C ATOM 1621 CD1 LEU A 106 -7.055 -4.117 -5.628 1.00 1.47 C ATOM 1622 CD2 LEU A 106 -6.575 -2.827 -3.583 1.00 2.61 C ATOM 0 H LEU A 106 -8.279 -6.607 -1.564 1.00 0.64 H new ATOM 0 HA LEU A 106 -8.812 -6.610 -4.225 1.00 0.58 H new ATOM 0 HB2 LEU A 106 -8.558 -4.552 -3.272 1.00 0.64 H new ATOM 0 HB3 LEU A 106 -7.210 -5.054 -2.270 1.00 0.64 H new ATOM 0 HG LEU A 106 -5.687 -4.758 -4.130 1.00 1.02 H new ATOM 0 HD11 LEU A 106 -6.324 -3.509 -6.161 1.00 1.47 H new ATOM 0 HD12 LEU A 106 -7.098 -5.110 -6.076 1.00 1.47 H new ATOM 0 HD13 LEU A 106 -8.036 -3.646 -5.695 1.00 1.47 H new ATOM 0 HD21 LEU A 106 -5.900 -2.222 -4.188 1.00 2.61 H new ATOM 0 HD22 LEU A 106 -7.570 -2.381 -3.593 1.00 2.61 H new ATOM 0 HD23 LEU A 106 -6.206 -2.868 -2.558 1.00 2.61 H new ATOM 1634 N VAL A 107 -5.677 -7.565 -3.905 1.00 0.54 N ATOM 1635 CA VAL A 107 -4.550 -8.081 -4.698 1.00 0.60 C ATOM 1636 C VAL A 107 -4.612 -9.583 -4.976 1.00 0.67 C ATOM 1637 O VAL A 107 -3.850 -10.119 -5.784 1.00 0.79 O ATOM 1638 CB VAL A 107 -3.233 -7.751 -4.010 1.00 0.53 C ATOM 1639 CG1 VAL A 107 -3.125 -6.244 -3.758 1.00 0.58 C ATOM 1640 CG2 VAL A 107 -3.005 -8.554 -2.732 1.00 0.55 C ATOM 0 H VAL A 107 -5.489 -7.489 -2.905 1.00 0.54 H new ATOM 0 HA VAL A 107 -4.620 -7.585 -5.666 1.00 0.60 H new ATOM 0 HB VAL A 107 -2.435 -8.049 -4.690 1.00 0.53 H new ATOM 0 HG11 VAL A 107 -2.178 -6.024 -3.265 1.00 0.58 H new ATOM 0 HG12 VAL A 107 -3.172 -5.712 -4.708 1.00 0.58 H new ATOM 0 HG13 VAL A 107 -3.949 -5.922 -3.121 1.00 0.58 H new ATOM 0 HG21 VAL A 107 -2.049 -8.272 -2.291 1.00 0.55 H new ATOM 0 HG22 VAL A 107 -3.807 -8.346 -2.024 1.00 0.55 H new ATOM 0 HG23 VAL A 107 -2.995 -9.618 -2.968 1.00 0.55 H new ATOM 1650 N ALA A 108 -5.510 -10.270 -4.278 1.00 0.64 N ATOM 1651 CA ALA A 108 -5.871 -11.665 -4.476 1.00 0.76 C ATOM 1652 C ALA A 108 -6.929 -11.789 -5.578 1.00 0.94 C ATOM 1653 O ALA A 108 -6.757 -12.593 -6.489 1.00 1.05 O ATOM 1654 CB ALA A 108 -6.319 -12.221 -3.131 1.00 0.74 C ATOM 0 H ALA A 108 -6.034 -9.841 -3.515 1.00 0.64 H new ATOM 0 HA ALA A 108 -5.023 -12.256 -4.822 1.00 0.76 H new ATOM 0 HB1 ALA A 108 -6.598 -13.269 -3.245 1.00 0.74 H new ATOM 0 HB2 ALA A 108 -5.503 -12.138 -2.413 1.00 0.74 H new ATOM 0 HB3 ALA A 108 -7.178 -11.654 -2.771 1.00 0.74 H new ATOM 1660 N GLU A 109 -7.921 -10.889 -5.573 1.00 1.07 N ATOM 1661 CA GLU A 109 -8.762 -10.577 -6.737 1.00 1.33 C ATOM 1662 C GLU A 109 -7.963 -9.936 -7.892 1.00 1.51 C ATOM 1663 O GLU A 109 -8.468 -9.843 -9.009 1.00 1.81 O ATOM 1664 CB GLU A 109 -9.908 -9.648 -6.293 1.00 1.65 C ATOM 1665 CG GLU A 109 -10.962 -10.362 -5.431 1.00 2.06 C ATOM 1666 CD GLU A 109 -11.912 -11.214 -6.281 1.00 2.84 C ATOM 1667 OE1 GLU A 109 -11.463 -12.281 -6.755 1.00 3.51 O ATOM 1668 OE2 GLU A 109 -13.075 -10.783 -6.445 1.00 3.55 O ATOM 0 H GLU A 109 -8.166 -10.347 -4.745 1.00 1.07 H new ATOM 0 HA GLU A 109 -9.164 -11.514 -7.123 1.00 1.33 H new ATOM 0 HB2 GLU A 109 -9.493 -8.812 -5.731 1.00 1.65 H new ATOM 0 HB3 GLU A 109 -10.392 -9.230 -7.176 1.00 1.65 H new ATOM 0 HG2 GLU A 109 -10.463 -10.996 -4.698 1.00 2.06 H new ATOM 0 HG3 GLU A 109 -11.537 -9.623 -4.874 1.00 2.06 H new ATOM 1675 N SER A 110 -6.707 -9.528 -7.643 1.00 1.43 N ATOM 1676 CA SER A 110 -5.744 -8.940 -8.576 1.00 1.68 C ATOM 1677 C SER A 110 -6.393 -8.104 -9.681 1.00 2.13 C ATOM 1678 O SER A 110 -6.027 -6.938 -9.861 1.00 2.61 O ATOM 1679 CB SER A 110 -4.820 -10.017 -9.165 1.00 1.62 C ATOM 1680 OG SER A 110 -5.426 -10.715 -10.231 1.00 1.82 O ATOM 0 H SER A 110 -6.312 -9.610 -6.706 1.00 1.43 H new ATOM 0 HA SER A 110 -5.143 -8.244 -7.990 1.00 1.68 H new ATOM 0 HB2 SER A 110 -3.899 -9.551 -9.515 1.00 1.62 H new ATOM 0 HB3 SER A 110 -4.542 -10.723 -8.382 1.00 1.62 H new ATOM 0 HG SER A 110 -4.804 -11.389 -10.577 1.00 1.82 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.853 0.743 1.907 1.00 0.51 CA HETATM 1688 CA CA A 112 -5.956 7.971 7.569 1.00 0.55 CA