USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 777 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 47 GLN : amide:sc= 1.66 K(o=4,f=-5.7!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 151:sc= 2.36 (180deg=0.961) USER MOD Set 2.1: A 1 LYS NZ :NH3+ 163:sc= 2.28 (180deg=1.13) USER MOD Set 2.2: A 51 SER OG : rot -167:sc= 1.9 USER MOD Set 3.1: A 1 LYS N :NH3+ 152:sc= 0.223 (180deg=0) USER MOD Set 3.2: A 22 SER OG : rot 180:sc= 0.212 USER MOD Set 4.1: A 9 GLN : amide:sc= 0.411 K(o=0.43,f=-1.4) USER MOD Set 4.2: A 45 ASN : amide:sc= 0.0147 K(o=0.43,f=-0.56) USER MOD Single : A 5 THR OG1 : rot -53:sc= 1.24 USER MOD Single : A 7 LYS NZ :NH3+ -144:sc= 1.19 (180deg=-0.871!) USER MOD Single : A 13 GLN : amide:sc= 0.147 X(o=0.15,f=0) USER MOD Single : A 23 THR OG1 : rot 22:sc= 0.436 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 1.05 (180deg=0.893) USER MOD Single : A 32 GLN : amide:sc=-0.00343 K(o=-0.0034,f=-0.58) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.946) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 1.23 K(o=1.2,f=-0.38) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= 1.09 (180deg=0.206) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.525) USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 1.99 K(o=2,f=-5.4!) USER MOD Single : A 82 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 84 THR OG1 : rot -49:sc= 0.98 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 1.121 15.329 4.877 1.00 0.00 N ATOM 36 CA LYS A 1 1.485 13.871 4.877 1.00 0.00 C ATOM 37 C LYS A 1 0.815 13.056 6.041 1.00 0.00 C ATOM 38 O LYS A 1 1.396 12.881 7.117 1.00 0.00 O ATOM 39 CB LYS A 1 3.016 13.570 4.709 1.00 0.00 C ATOM 40 CG LYS A 1 3.432 12.091 4.485 1.00 0.00 C ATOM 41 CD LYS A 1 4.609 11.587 5.361 1.00 0.00 C ATOM 42 CE LYS A 1 4.261 11.499 6.860 1.00 0.00 C ATOM 43 NZ LYS A 1 5.271 10.706 7.612 1.00 0.00 N ATOM 0 H1 LYS A 1 1.892 15.879 4.448 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.249 15.469 4.328 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.970 15.649 5.855 1.00 0.00 H new ATOM 0 HA LYS A 1 1.039 13.494 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.384 14.155 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.531 13.934 5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.566 11.456 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.702 11.963 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.919 10.603 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.461 12.255 5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.200 12.503 7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.278 11.044 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.177 10.900 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.117 9.692 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.226 10.970 7.295 1.00 0.00 H new ATOM 57 N VAL A 2 -0.344 12.430 5.759 1.00 0.00 N ATOM 58 CA VAL A 2 -0.763 11.151 6.410 1.00 0.00 C ATOM 59 C VAL A 2 -0.416 10.007 5.390 1.00 0.00 C ATOM 60 O VAL A 2 -1.108 9.764 4.395 1.00 0.00 O ATOM 61 CB VAL A 2 -2.258 11.210 6.884 1.00 0.00 C ATOM 62 CG1 VAL A 2 -2.862 9.850 7.280 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.456 12.165 8.081 1.00 0.00 C ATOM 0 H VAL A 2 -1.019 12.784 5.081 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.227 10.955 7.339 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.781 11.576 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.897 9.989 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.829 9.175 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.288 9.422 8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.507 12.171 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.849 11.827 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.152 13.173 7.797 1.00 0.00 H new ATOM 73 N ASP A 3 0.711 9.339 5.666 1.00 0.00 N ATOM 74 CA ASP A 3 1.250 8.199 4.880 1.00 0.00 C ATOM 75 C ASP A 3 0.772 6.870 5.536 1.00 0.00 C ATOM 76 O ASP A 3 1.180 6.538 6.653 1.00 0.00 O ATOM 77 CB ASP A 3 2.782 8.468 4.884 1.00 0.00 C ATOM 78 CG ASP A 3 3.782 7.393 4.494 1.00 0.00 C ATOM 79 OD1 ASP A 3 3.458 6.479 3.715 1.00 0.00 O ATOM 80 OD2 ASP A 3 4.937 7.496 4.967 1.00 0.00 O ATOM 0 H ASP A 3 1.298 9.577 6.465 1.00 0.00 H new ATOM 0 HA ASP A 3 0.909 8.105 3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.955 9.316 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.043 8.792 5.891 1.00 0.00 H new ATOM 85 N ILE A 4 -0.141 6.137 4.876 1.00 0.00 N ATOM 86 CA ILE A 4 -0.754 4.908 5.466 1.00 0.00 C ATOM 87 C ILE A 4 -0.643 3.714 4.469 1.00 0.00 C ATOM 88 O ILE A 4 -1.083 3.798 3.317 1.00 0.00 O ATOM 89 CB ILE A 4 -2.195 5.133 6.048 1.00 0.00 C ATOM 90 CG1 ILE A 4 -3.306 5.493 5.017 1.00 0.00 C ATOM 91 CG2 ILE A 4 -2.191 6.166 7.199 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.238 4.317 4.674 1.00 0.00 C ATOM 0 H ILE A 4 -0.477 6.362 3.940 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.173 4.642 6.349 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.465 4.146 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.903 6.315 5.412 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.837 5.852 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.206 6.295 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.547 5.811 8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.817 7.121 6.830 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.985 4.644 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.653 3.502 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.737 3.972 5.580 1.00 0.00 H new ATOM 104 N THR A 5 -0.046 2.604 4.938 1.00 0.00 N ATOM 105 CA THR A 5 0.259 1.416 4.088 1.00 0.00 C ATOM 106 C THR A 5 -0.372 0.165 4.774 1.00 0.00 C ATOM 107 O THR A 5 0.100 -0.296 5.821 1.00 0.00 O ATOM 108 CB THR A 5 1.798 1.308 3.864 1.00 0.00 C ATOM 109 OG1 THR A 5 2.320 2.500 3.281 1.00 0.00 O ATOM 110 CG2 THR A 5 2.216 0.165 2.931 1.00 0.00 C ATOM 0 H THR A 5 0.241 2.495 5.911 1.00 0.00 H new ATOM 0 HA THR A 5 -0.176 1.502 3.092 1.00 0.00 H new ATOM 0 HB THR A 5 2.196 1.125 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.810 2.720 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.301 0.158 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.886 -0.786 3.350 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.759 0.309 1.952 1.00 0.00 H new ATOM 118 N ILE A 6 -1.470 -0.357 4.199 1.00 0.00 N ATOM 119 CA ILE A 6 -2.340 -1.362 4.883 1.00 0.00 C ATOM 120 C ILE A 6 -2.221 -2.726 4.123 1.00 0.00 C ATOM 121 O ILE A 6 -2.955 -2.964 3.160 1.00 0.00 O ATOM 122 CB ILE A 6 -3.814 -0.815 4.999 1.00 0.00 C ATOM 123 CG1 ILE A 6 -3.984 0.631 5.565 1.00 0.00 C ATOM 124 CG2 ILE A 6 -4.746 -1.778 5.776 1.00 0.00 C ATOM 125 CD1 ILE A 6 -3.404 0.903 6.964 1.00 0.00 C ATOM 0 H ILE A 6 -1.786 -0.107 3.262 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.013 -1.537 5.908 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.111 -0.758 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.521 1.326 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.049 0.863 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.748 -1.353 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.785 -2.739 5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.361 -1.921 6.786 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.588 1.942 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.882 0.245 7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.330 0.715 6.956 1.00 0.00 H new ATOM 137 N LYS A 7 -1.311 -3.619 4.560 1.00 0.00 N ATOM 138 CA LYS A 7 -1.086 -4.945 3.909 1.00 0.00 C ATOM 139 C LYS A 7 -1.959 -6.058 4.579 1.00 0.00 C ATOM 140 O LYS A 7 -1.716 -6.461 5.724 1.00 0.00 O ATOM 141 CB LYS A 7 0.424 -5.300 3.983 1.00 0.00 C ATOM 142 CG LYS A 7 1.374 -4.555 3.015 1.00 0.00 C ATOM 143 CD LYS A 7 2.865 -4.905 3.274 1.00 0.00 C ATOM 144 CE LYS A 7 3.712 -5.188 2.015 1.00 0.00 C ATOM 145 NZ LYS A 7 4.125 -3.947 1.313 1.00 0.00 N ATOM 0 H LYS A 7 -0.710 -3.453 5.367 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.389 -4.885 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.765 -5.114 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.529 -6.370 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.116 -4.809 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.231 -3.480 3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.323 -4.081 3.821 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.907 -5.780 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.600 -5.753 2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.140 -5.815 1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.121 -4.111 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.461 -3.180 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.083 -3.679 1.617 1.00 0.00 H new ATOM 159 N ILE A 8 -2.975 -6.558 3.853 1.00 0.00 N ATOM 160 CA ILE A 8 -3.998 -7.493 4.416 1.00 0.00 C ATOM 161 C ILE A 8 -3.713 -8.936 3.861 1.00 0.00 C ATOM 162 O ILE A 8 -4.061 -9.219 2.709 1.00 0.00 O ATOM 163 CB ILE A 8 -5.448 -6.955 4.086 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.737 -5.499 4.569 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.542 -7.889 4.657 1.00 0.00 C ATOM 166 CD1 ILE A 8 -7.032 -4.849 4.042 1.00 0.00 C ATOM 0 H ILE A 8 -3.120 -6.336 2.868 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.938 -7.548 5.503 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.479 -6.942 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.774 -5.501 5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.896 -4.869 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.526 -7.489 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.435 -8.883 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.436 -7.954 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.123 -3.841 4.446 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.999 -4.802 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.891 -5.444 4.354 1.00 0.00 H new ATOM 178 N GLN A 9 -3.122 -9.858 4.660 1.00 0.00 N ATOM 179 CA GLN A 9 -2.791 -11.237 4.177 1.00 0.00 C ATOM 180 C GLN A 9 -4.025 -12.192 4.147 1.00 0.00 C ATOM 181 O GLN A 9 -4.563 -12.590 5.189 1.00 0.00 O ATOM 182 CB GLN A 9 -1.642 -11.914 4.980 1.00 0.00 C ATOM 183 CG GLN A 9 -0.253 -11.263 4.782 1.00 0.00 C ATOM 184 CD GLN A 9 0.963 -11.904 5.463 1.00 0.00 C ATOM 185 OE1 GLN A 9 0.988 -13.076 5.838 1.00 0.00 O ATOM 186 NE2 GLN A 9 2.030 -11.156 5.625 1.00 0.00 N ATOM 0 H GLN A 9 -2.864 -9.683 5.631 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.449 -11.079 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.893 -11.890 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.582 -12.963 4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.053 -11.230 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.319 -10.231 5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.022 -10.183 5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.867 -11.548 6.057 1.00 0.00 H new ATOM 195 N ARG A 10 -4.412 -12.610 2.931 1.00 0.00 N ATOM 196 CA ARG A 10 -5.362 -13.739 2.723 1.00 0.00 C ATOM 197 C ARG A 10 -4.605 -14.903 2.005 1.00 0.00 C ATOM 198 O ARG A 10 -4.591 -14.989 0.772 1.00 0.00 O ATOM 199 CB ARG A 10 -6.607 -13.213 1.955 1.00 0.00 C ATOM 200 CG ARG A 10 -7.549 -12.275 2.770 1.00 0.00 C ATOM 201 CD ARG A 10 -7.739 -10.854 2.203 1.00 0.00 C ATOM 202 NE ARG A 10 -8.550 -10.890 0.953 1.00 0.00 N ATOM 203 CZ ARG A 10 -9.186 -9.854 0.408 1.00 0.00 C ATOM 204 NH1 ARG A 10 -9.162 -8.643 0.908 1.00 0.00 N ATOM 205 NH2 ARG A 10 -9.861 -10.056 -0.686 1.00 0.00 N ATOM 0 H ARG A 10 -4.084 -12.185 2.064 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.733 -14.145 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.267 -12.677 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.186 -14.068 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.527 -12.750 2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.158 -12.191 3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.231 -10.224 2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.767 -10.405 1.999 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.625 -11.787 0.473 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.635 -8.454 1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.670 -7.890 0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.892 -10.987 -1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.359 -9.283 -1.128 1.00 0.00 H new ATOM 219 N ASP A 11 -3.938 -15.767 2.804 1.00 0.00 N ATOM 220 CA ASP A 11 -3.122 -16.925 2.316 1.00 0.00 C ATOM 221 C ASP A 11 -2.001 -16.552 1.288 1.00 0.00 C ATOM 222 O ASP A 11 -2.175 -16.679 0.071 1.00 0.00 O ATOM 223 CB ASP A 11 -4.028 -18.120 1.895 1.00 0.00 C ATOM 224 CG ASP A 11 -4.576 -18.900 3.084 1.00 0.00 C ATOM 225 OD1 ASP A 11 -5.604 -18.500 3.669 1.00 0.00 O ATOM 226 OD2 ASP A 11 -3.899 -19.841 3.547 1.00 0.00 O ATOM 0 H ASP A 11 -3.945 -15.687 3.821 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.539 -17.271 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.860 -17.745 1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.457 -18.795 1.257 1.00 0.00 H new ATOM 231 N GLY A 12 -0.866 -16.013 1.782 1.00 0.00 N ATOM 232 CA GLY A 12 0.185 -15.425 0.898 1.00 0.00 C ATOM 233 C GLY A 12 -0.050 -13.996 0.340 1.00 0.00 C ATOM 234 O GLY A 12 0.891 -13.209 0.237 1.00 0.00 O ATOM 0 H GLY A 12 -0.647 -15.969 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.123 -15.417 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.323 -16.096 0.050 1.00 0.00 H new ATOM 238 N GLN A 13 -1.290 -13.689 -0.062 1.00 0.00 N ATOM 239 CA GLN A 13 -1.641 -12.455 -0.809 1.00 0.00 C ATOM 240 C GLN A 13 -1.764 -11.218 0.135 1.00 0.00 C ATOM 241 O GLN A 13 -2.801 -11.034 0.785 1.00 0.00 O ATOM 242 CB GLN A 13 -2.991 -12.715 -1.542 1.00 0.00 C ATOM 243 CG GLN A 13 -3.032 -13.862 -2.589 1.00 0.00 C ATOM 244 CD GLN A 13 -4.446 -14.239 -3.040 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.925 -13.837 -4.094 1.00 0.00 O ATOM 246 NE2 GLN A 13 -5.159 -15.022 -2.262 1.00 0.00 N ATOM 0 H GLN A 13 -2.093 -14.291 0.120 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.849 -12.225 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.749 -12.923 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.284 -11.792 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.450 -13.566 -3.461 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.548 -14.743 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.768 -15.361 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.104 -15.291 -2.537 1.00 0.00 H new ATOM 255 N GLU A 14 -0.735 -10.349 0.179 1.00 0.00 N ATOM 256 CA GLU A 14 -0.835 -9.023 0.856 1.00 0.00 C ATOM 257 C GLU A 14 -1.658 -8.026 -0.016 1.00 0.00 C ATOM 258 O GLU A 14 -1.152 -7.426 -0.970 1.00 0.00 O ATOM 259 CB GLU A 14 0.569 -8.465 1.241 1.00 0.00 C ATOM 260 CG GLU A 14 1.163 -9.143 2.499 1.00 0.00 C ATOM 261 CD GLU A 14 2.375 -8.534 3.183 1.00 0.00 C ATOM 262 OE1 GLU A 14 3.359 -8.173 2.508 1.00 0.00 O ATOM 263 OE2 GLU A 14 2.344 -8.440 4.432 1.00 0.00 O ATOM 0 H GLU A 14 0.176 -10.532 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.374 -9.156 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.252 -8.604 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.492 -7.392 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.367 -9.205 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.424 -10.165 2.225 1.00 0.00 H new ATOM 270 N ILE A 15 -2.950 -7.861 0.325 1.00 0.00 N ATOM 271 CA ILE A 15 -3.874 -6.948 -0.410 1.00 0.00 C ATOM 272 C ILE A 15 -3.618 -5.503 0.128 1.00 0.00 C ATOM 273 O ILE A 15 -4.104 -5.121 1.199 1.00 0.00 O ATOM 274 CB ILE A 15 -5.358 -7.455 -0.310 1.00 0.00 C ATOM 275 CG1 ILE A 15 -5.598 -8.928 -0.771 1.00 0.00 C ATOM 276 CG2 ILE A 15 -6.365 -6.518 -1.030 1.00 0.00 C ATOM 277 CD1 ILE A 15 -5.175 -9.298 -2.205 1.00 0.00 C ATOM 0 H ILE A 15 -3.388 -8.347 1.108 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.682 -6.936 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.544 -7.433 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.069 -9.587 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.661 -9.145 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.373 -6.919 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.322 -5.525 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.108 -6.451 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.399 -10.349 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.722 -8.679 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.105 -9.128 -2.324 1.00 0.00 H new ATOM 289 N GLU A 16 -2.779 -4.753 -0.604 1.00 0.00 N ATOM 290 CA GLU A 16 -2.156 -3.510 -0.094 1.00 0.00 C ATOM 291 C GLU A 16 -2.937 -2.229 -0.504 1.00 0.00 C ATOM 292 O GLU A 16 -3.044 -1.886 -1.686 1.00 0.00 O ATOM 293 CB GLU A 16 -0.679 -3.530 -0.563 1.00 0.00 C ATOM 294 CG GLU A 16 0.158 -2.299 -0.128 1.00 0.00 C ATOM 295 CD GLU A 16 1.651 -2.545 -0.052 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.258 -3.117 -0.977 1.00 0.00 O ATOM 297 OE2 GLU A 16 2.242 -2.203 0.991 1.00 0.00 O ATOM 0 H GLU A 16 -2.511 -4.985 -1.561 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.192 -3.476 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.202 -4.431 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.659 -3.600 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.027 -1.485 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.192 -1.965 0.849 1.00 0.00 H new ATOM 304 N ILE A 17 -3.427 -1.488 0.504 1.00 0.00 N ATOM 305 CA ILE A 17 -4.009 -0.131 0.298 1.00 0.00 C ATOM 306 C ILE A 17 -2.936 0.893 0.797 1.00 0.00 C ATOM 307 O ILE A 17 -2.840 1.195 1.993 1.00 0.00 O ATOM 308 CB ILE A 17 -5.442 0.003 0.928 1.00 0.00 C ATOM 309 CG1 ILE A 17 -6.504 -0.961 0.304 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.999 1.449 0.812 1.00 0.00 C ATOM 311 CD1 ILE A 17 -6.528 -2.382 0.898 1.00 0.00 C ATOM 0 H ILE A 17 -3.436 -1.798 1.476 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.210 0.078 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.292 -0.270 1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.492 -0.516 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.319 -1.035 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.991 1.494 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.334 2.138 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.063 1.731 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.297 -2.972 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.556 -2.854 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.748 -2.327 1.964 1.00 0.00 H new ATOM 323 N ASP A 18 -2.133 1.406 -0.151 1.00 0.00 N ATOM 324 CA ASP A 18 -1.110 2.450 0.110 1.00 0.00 C ATOM 325 C ASP A 18 -1.642 3.839 -0.374 1.00 0.00 C ATOM 326 O ASP A 18 -1.749 4.082 -1.582 1.00 0.00 O ATOM 327 CB ASP A 18 0.202 1.997 -0.588 1.00 0.00 C ATOM 328 CG ASP A 18 1.410 2.843 -0.216 1.00 0.00 C ATOM 329 OD1 ASP A 18 1.839 2.801 0.957 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.926 3.600 -1.066 1.00 0.00 O ATOM 0 H ASP A 18 -2.170 1.111 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.900 2.571 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.402 0.958 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.061 2.034 -1.668 1.00 0.00 H new ATOM 335 N ILE A 19 -1.982 4.749 0.561 1.00 0.00 N ATOM 336 CA ILE A 19 -2.393 6.151 0.211 1.00 0.00 C ATOM 337 C ILE A 19 -1.564 7.187 1.039 1.00 0.00 C ATOM 338 O ILE A 19 -1.180 6.959 2.193 1.00 0.00 O ATOM 339 CB ILE A 19 -3.949 6.413 0.195 1.00 0.00 C ATOM 340 CG1 ILE A 19 -4.688 6.321 1.560 1.00 0.00 C ATOM 341 CG2 ILE A 19 -4.677 5.519 -0.840 1.00 0.00 C ATOM 342 CD1 ILE A 19 -4.661 7.603 2.413 1.00 0.00 C ATOM 0 H ILE A 19 -1.985 4.554 1.562 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.138 6.297 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.003 7.463 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.727 6.051 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.246 5.510 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.746 5.732 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.287 5.725 -1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.511 4.470 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.204 7.433 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.628 7.868 2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.132 8.417 1.862 1.00 0.00 H new ATOM 354 N ARG A 20 -1.268 8.341 0.413 1.00 0.00 N ATOM 355 CA ARG A 20 -0.279 9.322 0.944 1.00 0.00 C ATOM 356 C ARG A 20 -0.847 10.764 0.788 1.00 0.00 C ATOM 357 O ARG A 20 -0.518 11.487 -0.156 1.00 0.00 O ATOM 358 CB ARG A 20 1.052 9.021 0.195 1.00 0.00 C ATOM 359 CG ARG A 20 2.352 9.512 0.873 1.00 0.00 C ATOM 360 CD ARG A 20 3.601 8.690 0.462 1.00 0.00 C ATOM 361 NE ARG A 20 3.619 7.349 1.121 1.00 0.00 N ATOM 362 CZ ARG A 20 3.218 6.192 0.590 1.00 0.00 C ATOM 363 NH1 ARG A 20 2.973 5.990 -0.678 1.00 0.00 N ATOM 364 NH2 ARG A 20 3.040 5.205 1.409 1.00 0.00 N ATOM 0 H ARG A 20 -1.698 8.626 -0.467 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.082 9.237 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.127 7.943 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.994 9.469 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.514 10.559 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.232 9.462 1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.614 8.564 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.503 9.240 0.730 1.00 0.00 H new ATOM 0 HE ARG A 20 3.975 7.314 2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.085 6.752 -1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.669 5.071 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.206 5.334 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.734 4.298 1.056 1.00 0.00 H new ATOM 378 N VAL A 21 -1.770 11.144 1.690 1.00 0.00 N ATOM 379 CA VAL A 21 -2.658 12.341 1.510 1.00 0.00 C ATOM 380 C VAL A 21 -2.675 13.140 2.853 1.00 0.00 C ATOM 381 O VAL A 21 -2.519 12.566 3.932 1.00 0.00 O ATOM 382 CB VAL A 21 -4.092 11.880 1.033 1.00 0.00 C ATOM 383 CG1 VAL A 21 -5.156 13.005 0.937 1.00 0.00 C ATOM 384 CG2 VAL A 21 -4.094 11.183 -0.349 1.00 0.00 C ATOM 0 H VAL A 21 -1.932 10.644 2.564 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.282 13.005 0.732 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.361 11.188 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.103 12.582 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.290 13.463 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.823 13.761 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.112 10.895 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.707 11.868 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.464 10.294 -0.309 1.00 0.00 H new ATOM 394 N SER A 22 -2.912 14.465 2.834 1.00 0.00 N ATOM 395 CA SER A 22 -3.183 15.230 4.095 1.00 0.00 C ATOM 396 C SER A 22 -4.691 15.110 4.497 1.00 0.00 C ATOM 397 O SER A 22 -5.532 15.925 4.112 1.00 0.00 O ATOM 398 CB SER A 22 -2.676 16.679 3.940 1.00 0.00 C ATOM 399 OG SER A 22 -1.312 16.699 3.518 1.00 0.00 O ATOM 0 H SER A 22 -2.925 15.031 1.985 1.00 0.00 H new ATOM 0 HA SER A 22 -2.629 14.800 4.930 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.293 17.209 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.775 17.207 4.889 1.00 0.00 H new ATOM 0 HG SER A 22 -1.012 17.627 3.425 1.00 0.00 H new ATOM 405 N THR A 23 -5.022 14.018 5.210 1.00 0.00 N ATOM 406 CA THR A 23 -6.418 13.497 5.293 1.00 0.00 C ATOM 407 C THR A 23 -7.298 14.185 6.388 1.00 0.00 C ATOM 408 O THR A 23 -6.907 14.223 7.560 1.00 0.00 O ATOM 409 CB THR A 23 -6.407 11.961 5.585 1.00 0.00 C ATOM 410 OG1 THR A 23 -5.824 11.703 6.862 1.00 0.00 O ATOM 411 CG2 THR A 23 -5.718 11.059 4.547 1.00 0.00 C ATOM 0 H THR A 23 -4.346 13.471 5.742 1.00 0.00 H new ATOM 0 HA THR A 23 -6.861 13.723 4.323 1.00 0.00 H new ATOM 0 HB THR A 23 -7.463 11.694 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.881 12.509 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.781 10.020 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.213 11.170 3.582 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.671 11.347 4.453 1.00 0.00 H new ATOM 419 N GLY A 24 -8.524 14.594 6.020 1.00 0.00 N ATOM 420 CA GLY A 24 -9.570 15.033 6.981 1.00 0.00 C ATOM 421 C GLY A 24 -10.466 13.863 7.441 1.00 0.00 C ATOM 422 O GLY A 24 -10.047 13.064 8.281 1.00 0.00 O ATOM 0 H GLY A 24 -8.826 14.632 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.095 15.488 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.188 15.801 6.517 1.00 0.00 H new ATOM 426 N LYS A 25 -11.666 13.714 6.849 1.00 0.00 N ATOM 427 CA LYS A 25 -12.463 12.442 6.970 1.00 0.00 C ATOM 428 C LYS A 25 -12.190 11.378 5.830 1.00 0.00 C ATOM 429 O LYS A 25 -13.035 10.522 5.547 1.00 0.00 O ATOM 430 CB LYS A 25 -13.974 12.809 7.096 1.00 0.00 C ATOM 431 CG LYS A 25 -14.391 13.526 8.407 1.00 0.00 C ATOM 432 CD LYS A 25 -15.886 13.923 8.480 1.00 0.00 C ATOM 433 CE LYS A 25 -16.899 12.778 8.704 1.00 0.00 C ATOM 434 NZ LYS A 25 -16.848 12.250 10.095 1.00 0.00 N ATOM 0 H LYS A 25 -12.114 14.437 6.286 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.128 11.931 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.244 13.447 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.559 11.894 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.160 12.875 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.784 14.424 8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.007 14.646 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -16.148 14.432 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.905 13.138 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.693 11.970 8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.494 11.440 10.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.878 11.945 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -17.136 12.996 10.760 1.00 0.00 H new ATOM 448 N GLU A 26 -10.993 11.389 5.215 1.00 0.00 N ATOM 449 CA GLU A 26 -10.620 10.500 4.072 1.00 0.00 C ATOM 450 C GLU A 26 -10.065 9.114 4.543 1.00 0.00 C ATOM 451 O GLU A 26 -10.583 8.075 4.122 1.00 0.00 O ATOM 452 CB GLU A 26 -9.644 11.284 3.147 1.00 0.00 C ATOM 453 CG GLU A 26 -10.228 12.564 2.476 1.00 0.00 C ATOM 454 CD GLU A 26 -9.297 13.759 2.425 1.00 0.00 C ATOM 455 OE1 GLU A 26 -9.203 14.468 3.447 1.00 0.00 O ATOM 456 OE2 GLU A 26 -8.677 14.011 1.374 1.00 0.00 O ATOM 0 H GLU A 26 -10.241 12.019 5.493 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.510 10.241 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.770 11.570 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.297 10.611 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.527 12.315 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.132 12.853 3.012 1.00 0.00 H new ATOM 463 N LEU A 27 -9.089 9.090 5.482 1.00 0.00 N ATOM 464 CA LEU A 27 -8.802 7.888 6.325 1.00 0.00 C ATOM 465 C LEU A 27 -10.038 7.278 7.077 1.00 0.00 C ATOM 466 O LEU A 27 -10.159 6.053 7.110 1.00 0.00 O ATOM 467 CB LEU A 27 -7.618 8.225 7.283 1.00 0.00 C ATOM 468 CG LEU A 27 -7.075 7.078 8.187 1.00 0.00 C ATOM 469 CD1 LEU A 27 -6.556 5.868 7.391 1.00 0.00 C ATOM 470 CD2 LEU A 27 -5.956 7.597 9.108 1.00 0.00 C ATOM 0 H LEU A 27 -8.483 9.886 5.680 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.521 7.081 5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.791 8.596 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.932 9.044 7.931 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.924 6.738 8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.193 5.107 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.365 5.455 6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.742 6.184 6.738 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.590 6.781 9.731 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.138 7.986 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.347 8.392 9.743 1.00 0.00 H new ATOM 482 N GLU A 28 -10.961 8.098 7.620 1.00 0.00 N ATOM 483 CA GLU A 28 -12.272 7.623 8.144 1.00 0.00 C ATOM 484 C GLU A 28 -13.167 6.844 7.108 1.00 0.00 C ATOM 485 O GLU A 28 -13.549 5.703 7.381 1.00 0.00 O ATOM 486 CB GLU A 28 -12.983 8.856 8.764 1.00 0.00 C ATOM 487 CG GLU A 28 -14.136 8.501 9.735 1.00 0.00 C ATOM 488 CD GLU A 28 -15.142 9.618 9.926 1.00 0.00 C ATOM 489 OE1 GLU A 28 -14.804 10.663 10.523 1.00 0.00 O ATOM 490 OE2 GLU A 28 -16.293 9.481 9.463 1.00 0.00 O ATOM 0 H GLU A 28 -10.826 9.105 7.711 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.091 6.858 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.246 9.457 9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.378 9.476 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.654 7.618 9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.713 8.236 10.704 1.00 0.00 H new ATOM 497 N ARG A 29 -13.453 7.415 5.918 1.00 0.00 N ATOM 498 CA ARG A 29 -14.141 6.688 4.805 1.00 0.00 C ATOM 499 C ARG A 29 -13.427 5.402 4.267 1.00 0.00 C ATOM 500 O ARG A 29 -14.094 4.380 4.072 1.00 0.00 O ATOM 501 CB ARG A 29 -14.444 7.682 3.650 1.00 0.00 C ATOM 502 CG ARG A 29 -15.574 8.698 3.945 1.00 0.00 C ATOM 503 CD ARG A 29 -15.893 9.588 2.727 1.00 0.00 C ATOM 504 NE ARG A 29 -17.041 10.500 3.000 1.00 0.00 N ATOM 505 CZ ARG A 29 -18.332 10.191 2.838 1.00 0.00 C ATOM 506 NH1 ARG A 29 -18.756 9.004 2.473 1.00 0.00 N ATOM 507 NH2 ARG A 29 -19.221 11.114 3.057 1.00 0.00 N ATOM 0 H ARG A 29 -13.220 8.382 5.693 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.060 6.300 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.533 8.232 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.711 7.112 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -16.474 8.161 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.283 9.327 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.014 10.177 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.123 8.960 1.867 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.823 11.437 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -18.086 8.255 2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -19.755 8.830 2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.927 12.047 3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -20.213 10.905 2.941 1.00 0.00 H new ATOM 521 N ALA A 30 -12.093 5.422 4.066 1.00 0.00 N ATOM 522 CA ALA A 30 -11.285 4.188 3.871 1.00 0.00 C ATOM 523 C ALA A 30 -11.398 3.132 5.021 1.00 0.00 C ATOM 524 O ALA A 30 -11.749 1.988 4.740 1.00 0.00 O ATOM 525 CB ALA A 30 -9.832 4.631 3.613 1.00 0.00 C ATOM 0 H ALA A 30 -11.545 6.282 4.033 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.687 3.646 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.205 3.752 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.795 5.258 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.467 5.197 4.470 1.00 0.00 H new ATOM 531 N LEU A 31 -11.179 3.510 6.297 1.00 0.00 N ATOM 532 CA LEU A 31 -11.445 2.641 7.485 1.00 0.00 C ATOM 533 C LEU A 31 -12.889 2.030 7.598 1.00 0.00 C ATOM 534 O LEU A 31 -13.013 0.843 7.903 1.00 0.00 O ATOM 535 CB LEU A 31 -11.002 3.440 8.739 1.00 0.00 C ATOM 536 CG LEU A 31 -10.821 2.612 10.043 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.574 3.092 10.802 1.00 0.00 C ATOM 538 CD2 LEU A 31 -12.055 2.685 10.959 1.00 0.00 C ATOM 0 H LEU A 31 -10.811 4.429 6.544 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.858 1.729 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.059 3.938 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.738 4.221 8.927 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.696 1.570 9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.455 2.507 11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.693 2.965 10.172 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.688 4.145 11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.878 2.091 11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.238 3.722 11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.924 2.294 10.430 1.00 0.00 H new ATOM 550 N GLN A 32 -13.958 2.803 7.315 1.00 0.00 N ATOM 551 CA GLN A 32 -15.354 2.290 7.179 1.00 0.00 C ATOM 552 C GLN A 32 -15.555 1.134 6.135 1.00 0.00 C ATOM 553 O GLN A 32 -16.078 0.075 6.498 1.00 0.00 O ATOM 554 CB GLN A 32 -16.261 3.519 6.881 1.00 0.00 C ATOM 555 CG GLN A 32 -16.534 4.478 8.072 1.00 0.00 C ATOM 556 CD GLN A 32 -17.091 5.868 7.717 1.00 0.00 C ATOM 557 OE1 GLN A 32 -17.240 6.279 6.568 1.00 0.00 O ATOM 558 NE2 GLN A 32 -17.382 6.660 8.720 1.00 0.00 N ATOM 0 H GLN A 32 -13.885 3.810 7.172 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.628 1.804 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.804 4.095 6.076 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.219 3.155 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.236 3.991 8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.603 4.613 8.622 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.264 6.333 9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -17.727 7.603 8.542 1.00 0.00 H new ATOM 567 N GLU A 33 -15.118 1.311 4.871 1.00 0.00 N ATOM 568 CA GLU A 33 -15.065 0.195 3.878 1.00 0.00 C ATOM 569 C GLU A 33 -14.029 -0.941 4.193 1.00 0.00 C ATOM 570 O GLU A 33 -14.352 -2.118 4.013 1.00 0.00 O ATOM 571 CB GLU A 33 -14.907 0.810 2.457 1.00 0.00 C ATOM 572 CG GLU A 33 -15.094 -0.177 1.263 1.00 0.00 C ATOM 573 CD GLU A 33 -16.440 -0.892 1.148 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.496 -0.221 1.119 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.466 -2.138 1.086 1.00 0.00 O ATOM 0 H GLU A 33 -14.796 2.208 4.506 1.00 0.00 H new ATOM 0 HA GLU A 33 -16.008 -0.348 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.629 1.620 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.915 1.255 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.926 0.376 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.314 -0.935 1.327 1.00 0.00 H new ATOM 582 N LEU A 34 -12.815 -0.628 4.684 1.00 0.00 N ATOM 583 CA LEU A 34 -11.804 -1.645 5.094 1.00 0.00 C ATOM 584 C LEU A 34 -12.189 -2.563 6.296 1.00 0.00 C ATOM 585 O LEU A 34 -11.927 -3.762 6.202 1.00 0.00 O ATOM 586 CB LEU A 34 -10.423 -0.963 5.309 1.00 0.00 C ATOM 587 CG LEU A 34 -9.717 -0.407 4.044 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.500 0.446 4.441 1.00 0.00 C ATOM 589 CD2 LEU A 34 -9.278 -1.520 3.081 1.00 0.00 C ATOM 0 H LEU A 34 -12.499 0.333 4.811 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.756 -2.345 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.555 -0.142 6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.757 -1.685 5.781 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.446 0.212 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.015 0.829 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.827 1.281 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.794 -0.166 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.790 -1.078 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.581 -2.187 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.151 -2.086 2.757 1.00 0.00 H new ATOM 601 N GLU A 35 -12.834 -2.073 7.375 1.00 0.00 N ATOM 602 CA GLU A 35 -13.479 -2.956 8.399 1.00 0.00 C ATOM 603 C GLU A 35 -14.525 -3.972 7.808 1.00 0.00 C ATOM 604 O GLU A 35 -14.379 -5.184 7.986 1.00 0.00 O ATOM 605 CB GLU A 35 -14.070 -2.023 9.495 1.00 0.00 C ATOM 606 CG GLU A 35 -14.612 -2.761 10.746 1.00 0.00 C ATOM 607 CD GLU A 35 -15.323 -1.894 11.769 1.00 0.00 C ATOM 608 OE1 GLU A 35 -14.837 -0.799 12.128 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.361 -2.335 12.299 1.00 0.00 O ATOM 0 H GLU A 35 -12.928 -1.076 7.569 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.730 -3.619 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.299 -1.320 9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.877 -1.436 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.301 -3.539 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.778 -3.262 11.239 1.00 0.00 H new ATOM 616 N LYS A 36 -15.523 -3.472 7.054 1.00 0.00 N ATOM 617 CA LYS A 36 -16.435 -4.290 6.200 1.00 0.00 C ATOM 618 C LYS A 36 -15.737 -5.321 5.242 1.00 0.00 C ATOM 619 O LYS A 36 -16.004 -6.521 5.353 1.00 0.00 O ATOM 620 CB LYS A 36 -17.331 -3.226 5.490 1.00 0.00 C ATOM 621 CG LYS A 36 -18.301 -3.688 4.371 1.00 0.00 C ATOM 622 CD LYS A 36 -18.864 -2.470 3.603 1.00 0.00 C ATOM 623 CE LYS A 36 -19.503 -2.820 2.246 1.00 0.00 C ATOM 624 NZ LYS A 36 -19.709 -1.559 1.479 1.00 0.00 N ATOM 0 H LYS A 36 -15.729 -2.474 7.014 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.021 -4.987 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.926 -2.731 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.671 -2.472 5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.779 -4.351 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.120 -4.261 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.609 -1.975 4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.059 -1.754 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.859 -3.501 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.454 -3.331 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.745 -1.773 0.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -20.604 -1.117 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.922 -0.905 1.668 1.00 0.00 H new ATOM 638 N ALA A 37 -14.854 -4.877 4.328 1.00 0.00 N ATOM 639 CA ALA A 37 -14.071 -5.776 3.438 1.00 0.00 C ATOM 640 C ALA A 37 -13.123 -6.811 4.133 1.00 0.00 C ATOM 641 O ALA A 37 -13.113 -7.974 3.728 1.00 0.00 O ATOM 642 CB ALA A 37 -13.325 -4.865 2.445 1.00 0.00 C ATOM 0 H ALA A 37 -14.658 -3.887 4.180 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.775 -6.444 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.732 -5.477 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.047 -4.282 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.668 -4.190 2.993 1.00 0.00 H new ATOM 648 N LEU A 38 -12.368 -6.417 5.177 1.00 0.00 N ATOM 649 CA LEU A 38 -11.561 -7.347 6.017 1.00 0.00 C ATOM 650 C LEU A 38 -12.406 -8.386 6.828 1.00 0.00 C ATOM 651 O LEU A 38 -12.124 -9.584 6.723 1.00 0.00 O ATOM 652 CB LEU A 38 -10.610 -6.472 6.883 1.00 0.00 C ATOM 653 CG LEU A 38 -9.385 -7.172 7.526 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.330 -6.129 7.923 1.00 0.00 C ATOM 655 CD2 LEU A 38 -9.721 -8.007 8.774 1.00 0.00 C ATOM 0 H LEU A 38 -12.295 -5.442 5.469 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.972 -8.003 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.243 -5.656 6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.200 -6.023 7.682 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.011 -7.856 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.474 -6.631 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.006 -5.584 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.761 -5.431 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.810 -8.463 9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.158 -7.362 9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.433 -8.788 8.508 1.00 0.00 H new ATOM 667 N ALA A 39 -13.432 -7.964 7.601 1.00 0.00 N ATOM 668 CA ALA A 39 -14.355 -8.901 8.301 1.00 0.00 C ATOM 669 C ALA A 39 -15.175 -9.879 7.392 1.00 0.00 C ATOM 670 O ALA A 39 -15.274 -11.066 7.714 1.00 0.00 O ATOM 671 CB ALA A 39 -15.258 -8.043 9.206 1.00 0.00 C ATOM 0 H ALA A 39 -13.646 -6.979 7.759 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.746 -9.599 8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.954 -8.688 9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.643 -7.499 9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.817 -7.334 8.595 1.00 0.00 H new ATOM 677 N ARG A 40 -15.709 -9.412 6.247 1.00 0.00 N ATOM 678 CA ARG A 40 -16.279 -10.297 5.189 1.00 0.00 C ATOM 679 C ARG A 40 -15.270 -11.259 4.465 1.00 0.00 C ATOM 680 O ARG A 40 -15.650 -12.389 4.146 1.00 0.00 O ATOM 681 CB ARG A 40 -17.082 -9.355 4.246 1.00 0.00 C ATOM 682 CG ARG A 40 -17.879 -10.004 3.081 1.00 0.00 C ATOM 683 CD ARG A 40 -17.110 -10.151 1.746 1.00 0.00 C ATOM 684 NE ARG A 40 -16.767 -8.835 1.123 1.00 0.00 N ATOM 685 CZ ARG A 40 -17.552 -8.130 0.306 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.753 -8.513 -0.053 1.00 0.00 N ATOM 687 NH2 ARG A 40 -17.105 -6.998 -0.157 1.00 0.00 N ATOM 0 H ARG A 40 -15.762 -8.419 6.021 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.927 -11.045 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.784 -8.788 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.384 -8.638 3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.212 -10.992 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.774 -9.409 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -16.193 -10.714 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.713 -10.732 1.048 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.852 -8.442 1.342 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.133 -9.393 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -19.307 -7.931 -0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.176 -6.670 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.684 -6.439 -0.783 1.00 0.00 H new ATOM 701 N ALA A 41 -14.023 -10.836 4.185 1.00 0.00 N ATOM 702 CA ALA A 41 -12.974 -11.719 3.603 1.00 0.00 C ATOM 703 C ALA A 41 -12.320 -12.768 4.563 1.00 0.00 C ATOM 704 O ALA A 41 -12.151 -13.919 4.155 1.00 0.00 O ATOM 705 CB ALA A 41 -11.908 -10.805 2.967 1.00 0.00 C ATOM 0 H ALA A 41 -13.708 -9.880 4.352 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.474 -12.355 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.119 -11.416 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.369 -10.195 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.481 -10.157 3.732 1.00 0.00 H new ATOM 711 N GLY A 42 -11.909 -12.382 5.787 1.00 0.00 N ATOM 712 CA GLY A 42 -11.194 -13.295 6.722 1.00 0.00 C ATOM 713 C GLY A 42 -9.655 -13.265 6.609 1.00 0.00 C ATOM 714 O GLY A 42 -9.048 -14.225 6.128 1.00 0.00 O ATOM 0 H GLY A 42 -12.057 -11.444 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.474 -13.037 7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.537 -14.314 6.545 1.00 0.00 H new ATOM 718 N ALA A 43 -9.029 -12.173 7.072 1.00 0.00 N ATOM 719 CA ALA A 43 -7.553 -12.005 7.020 1.00 0.00 C ATOM 720 C ALA A 43 -6.849 -12.279 8.382 1.00 0.00 C ATOM 721 O ALA A 43 -7.247 -11.743 9.423 1.00 0.00 O ATOM 722 CB ALA A 43 -7.298 -10.570 6.541 1.00 0.00 C ATOM 0 H ALA A 43 -9.519 -11.383 7.491 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.126 -12.742 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.224 -10.391 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.742 -10.431 5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.746 -9.867 7.243 1.00 0.00 H new ATOM 728 N ARG A 44 -5.785 -13.103 8.359 1.00 0.00 N ATOM 729 CA ARG A 44 -5.044 -13.498 9.593 1.00 0.00 C ATOM 730 C ARG A 44 -3.778 -12.658 9.954 1.00 0.00 C ATOM 731 O ARG A 44 -3.624 -12.301 11.125 1.00 0.00 O ATOM 732 CB ARG A 44 -4.821 -15.033 9.636 1.00 0.00 C ATOM 733 CG ARG A 44 -3.933 -15.709 8.565 1.00 0.00 C ATOM 734 CD ARG A 44 -3.839 -17.227 8.833 1.00 0.00 C ATOM 735 NE ARG A 44 -3.077 -17.944 7.773 1.00 0.00 N ATOM 736 CZ ARG A 44 -3.581 -18.379 6.615 1.00 0.00 C ATOM 737 NH1 ARG A 44 -4.810 -18.143 6.224 1.00 0.00 N ATOM 738 NH2 ARG A 44 -2.808 -19.065 5.828 1.00 0.00 N ATOM 0 H ARG A 44 -5.411 -13.514 7.503 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.707 -13.228 10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.396 -15.273 10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.802 -15.506 9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.348 -15.532 7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.936 -15.268 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.359 -17.394 9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.844 -17.644 8.900 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.087 -18.117 7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.438 -17.600 6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.138 -18.502 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.844 -19.258 6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.165 -19.411 4.937 1.00 0.00 H new ATOM 752 N ASN A 45 -2.875 -12.360 9.002 1.00 0.00 N ATOM 753 CA ASN A 45 -1.671 -11.522 9.272 1.00 0.00 C ATOM 754 C ASN A 45 -1.875 -10.106 8.650 1.00 0.00 C ATOM 755 O ASN A 45 -1.787 -9.931 7.431 1.00 0.00 O ATOM 756 CB ASN A 45 -0.391 -12.220 8.755 1.00 0.00 C ATOM 757 CG ASN A 45 0.045 -13.493 9.491 1.00 0.00 C ATOM 758 OD1 ASN A 45 -0.047 -13.627 10.706 1.00 0.00 O ATOM 759 ND2 ASN A 45 0.573 -14.456 8.775 1.00 0.00 N ATOM 0 H ASN A 45 -2.948 -12.682 8.037 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.541 -11.398 10.347 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.540 -12.469 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.429 -11.503 8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.903 -15.307 9.230 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.654 -14.354 7.763 1.00 0.00 H new ATOM 766 N VAL A 46 -2.197 -9.099 9.477 1.00 0.00 N ATOM 767 CA VAL A 46 -2.642 -7.761 8.969 1.00 0.00 C ATOM 768 C VAL A 46 -1.615 -6.685 9.442 1.00 0.00 C ATOM 769 O VAL A 46 -1.626 -6.304 10.617 1.00 0.00 O ATOM 770 CB VAL A 46 -4.119 -7.422 9.387 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.640 -6.136 8.712 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.164 -8.534 9.116 1.00 0.00 C ATOM 0 H VAL A 46 -2.163 -9.169 10.494 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.660 -7.776 7.879 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.030 -7.299 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.664 -5.946 9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.008 -5.294 8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.616 -6.258 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.148 -8.196 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.191 -8.756 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.889 -9.434 9.667 1.00 0.00 H new ATOM 782 N GLN A 47 -0.760 -6.174 8.533 1.00 0.00 N ATOM 783 CA GLN A 47 0.206 -5.086 8.863 1.00 0.00 C ATOM 784 C GLN A 47 -0.432 -3.688 8.575 1.00 0.00 C ATOM 785 O GLN A 47 -0.520 -3.250 7.421 1.00 0.00 O ATOM 786 CB GLN A 47 1.545 -5.248 8.088 1.00 0.00 C ATOM 787 CG GLN A 47 2.349 -6.558 8.292 1.00 0.00 C ATOM 788 CD GLN A 47 3.734 -6.528 7.631 1.00 0.00 C ATOM 789 OE1 GLN A 47 4.684 -5.966 8.169 1.00 0.00 O ATOM 790 NE2 GLN A 47 3.923 -7.112 6.469 1.00 0.00 N ATOM 0 H GLN A 47 -0.712 -6.491 7.565 1.00 0.00 H new ATOM 0 HA GLN A 47 0.435 -5.157 9.926 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.329 -5.151 7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.191 -4.413 8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.467 -6.741 9.360 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.778 -7.394 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.148 -7.585 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.845 -7.092 6.032 1.00 0.00 H new ATOM 799 N ILE A 48 -0.856 -2.982 9.635 1.00 0.00 N ATOM 800 CA ILE A 48 -1.420 -1.602 9.529 1.00 0.00 C ATOM 801 C ILE A 48 -0.280 -0.594 9.879 1.00 0.00 C ATOM 802 O ILE A 48 0.035 -0.414 11.059 1.00 0.00 O ATOM 803 CB ILE A 48 -2.693 -1.502 10.451 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.909 -2.294 9.885 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.131 -0.045 10.749 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.883 -2.814 10.955 1.00 0.00 C ATOM 0 H ILE A 48 -0.823 -3.338 10.590 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.762 -1.357 8.523 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.377 -1.958 11.389 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.456 -1.652 9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.538 -3.140 9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.013 -0.054 11.389 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.322 0.482 11.254 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.367 0.463 9.814 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.699 -3.353 10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.355 -3.485 11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.287 -1.973 11.519 1.00 0.00 H new ATOM 818 N THR A 49 0.315 0.083 8.877 1.00 0.00 N ATOM 819 CA THR A 49 1.436 1.039 9.115 1.00 0.00 C ATOM 820 C THR A 49 0.945 2.513 8.996 1.00 0.00 C ATOM 821 O THR A 49 0.547 2.961 7.917 1.00 0.00 O ATOM 822 CB THR A 49 2.641 0.705 8.184 1.00 0.00 C ATOM 823 OG1 THR A 49 3.086 -0.630 8.405 1.00 0.00 O ATOM 824 CG2 THR A 49 3.885 1.585 8.403 1.00 0.00 C ATOM 0 H THR A 49 0.046 -0.008 7.897 1.00 0.00 H new ATOM 0 HA THR A 49 1.796 0.927 10.138 1.00 0.00 H new ATOM 0 HB THR A 49 2.251 0.875 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.842 -0.825 7.812 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.672 1.281 7.713 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.628 2.629 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.237 1.469 9.428 1.00 0.00 H new ATOM 832 N ILE A 50 1.012 3.262 10.113 1.00 0.00 N ATOM 833 CA ILE A 50 0.675 4.716 10.167 1.00 0.00 C ATOM 834 C ILE A 50 2.016 5.524 10.261 1.00 0.00 C ATOM 835 O ILE A 50 2.700 5.519 11.286 1.00 0.00 O ATOM 836 CB ILE A 50 -0.408 4.955 11.299 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.876 4.989 10.775 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.234 6.243 12.140 1.00 0.00 C ATOM 839 CD1 ILE A 50 -2.354 3.754 9.991 1.00 0.00 C ATOM 0 H ILE A 50 1.302 2.882 11.014 1.00 0.00 H new ATOM 0 HA ILE A 50 0.190 5.091 9.266 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.227 4.083 11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.540 5.129 11.628 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.990 5.864 10.135 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.030 6.303 12.883 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.732 6.220 12.644 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.282 7.114 11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.389 3.898 9.681 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.727 3.617 9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.285 2.871 10.626 1.00 0.00 H new ATOM 851 N SER A 51 2.365 6.246 9.189 1.00 0.00 N ATOM 852 CA SER A 51 3.503 7.201 9.154 1.00 0.00 C ATOM 853 C SER A 51 2.919 8.649 9.191 1.00 0.00 C ATOM 854 O SER A 51 2.389 9.158 8.199 1.00 0.00 O ATOM 855 CB SER A 51 4.343 6.808 7.909 1.00 0.00 C ATOM 856 OG SER A 51 5.103 7.873 7.332 1.00 0.00 O ATOM 0 H SER A 51 1.863 6.189 8.303 1.00 0.00 H new ATOM 0 HA SER A 51 4.180 7.166 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.025 6.005 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.673 6.407 7.149 1.00 0.00 H new ATOM 0 HG SER A 51 5.427 7.602 6.448 1.00 0.00 H new ATOM 862 N ALA A 52 3.006 9.317 10.355 1.00 0.00 N ATOM 863 CA ALA A 52 2.527 10.720 10.517 1.00 0.00 C ATOM 864 C ALA A 52 3.661 11.790 10.426 1.00 0.00 C ATOM 865 O ALA A 52 4.837 11.468 10.219 1.00 0.00 O ATOM 866 CB ALA A 52 1.752 10.755 11.845 1.00 0.00 C ATOM 0 H ALA A 52 3.403 8.915 11.204 1.00 0.00 H new ATOM 0 HA ALA A 52 1.879 10.998 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.375 11.763 12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.916 10.057 11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.416 10.470 12.661 1.00 0.00 H new ATOM 872 N GLU A 53 3.315 13.082 10.567 1.00 0.00 N ATOM 873 CA GLU A 53 4.322 14.174 10.755 1.00 0.00 C ATOM 874 C GLU A 53 5.194 14.023 12.057 1.00 0.00 C ATOM 875 O GLU A 53 6.422 14.108 11.994 1.00 0.00 O ATOM 876 CB GLU A 53 3.598 15.550 10.709 1.00 0.00 C ATOM 877 CG GLU A 53 2.946 15.942 9.358 1.00 0.00 C ATOM 878 CD GLU A 53 2.138 17.228 9.394 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.063 17.239 10.029 1.00 0.00 O ATOM 880 OE2 GLU A 53 2.537 18.219 8.753 1.00 0.00 O ATOM 0 H GLU A 53 2.349 13.409 10.556 1.00 0.00 H new ATOM 0 HA GLU A 53 5.036 14.101 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.823 15.554 11.476 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.317 16.323 10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.730 16.042 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.296 15.129 9.034 1.00 0.00 H new ATOM 887 N ASN A 54 4.552 13.786 13.215 1.00 0.00 N ATOM 888 CA ASN A 54 5.236 13.450 14.497 1.00 0.00 C ATOM 889 C ASN A 54 4.456 12.303 15.227 1.00 0.00 C ATOM 890 O ASN A 54 3.257 12.087 14.989 1.00 0.00 O ATOM 891 CB ASN A 54 5.308 14.725 15.392 1.00 0.00 C ATOM 892 CG ASN A 54 6.410 15.726 15.028 1.00 0.00 C ATOM 893 OD1 ASN A 54 7.565 15.573 15.406 1.00 0.00 O ATOM 894 ND2 ASN A 54 6.105 16.779 14.312 1.00 0.00 N ATOM 0 H ASN A 54 3.536 13.820 13.298 1.00 0.00 H new ATOM 0 HA ASN A 54 6.250 13.103 14.296 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.347 15.236 15.344 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.452 14.414 16.427 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.826 17.461 14.075 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.147 16.918 13.991 1.00 0.00 H new ATOM 901 N ASP A 55 5.093 11.629 16.212 1.00 0.00 N ATOM 902 CA ASP A 55 4.370 10.701 17.143 1.00 0.00 C ATOM 903 C ASP A 55 3.534 11.409 18.288 1.00 0.00 C ATOM 904 O ASP A 55 3.530 11.009 19.454 1.00 0.00 O ATOM 905 CB ASP A 55 5.391 9.635 17.627 1.00 0.00 C ATOM 906 CG ASP A 55 4.775 8.369 18.232 1.00 0.00 C ATOM 907 OD1 ASP A 55 3.901 7.755 17.582 1.00 0.00 O ATOM 908 OD2 ASP A 55 5.163 7.980 19.354 1.00 0.00 O ATOM 0 H ASP A 55 6.095 11.702 16.390 1.00 0.00 H new ATOM 0 HA ASP A 55 3.567 10.203 16.600 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.019 9.347 16.784 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.045 10.092 18.370 1.00 0.00 H new ATOM 913 N GLU A 56 2.743 12.421 17.902 1.00 0.00 N ATOM 914 CA GLU A 56 1.477 12.810 18.588 1.00 0.00 C ATOM 915 C GLU A 56 0.243 12.391 17.715 1.00 0.00 C ATOM 916 O GLU A 56 -0.635 11.674 18.200 1.00 0.00 O ATOM 917 CB GLU A 56 1.484 14.312 18.988 1.00 0.00 C ATOM 918 CG GLU A 56 2.507 14.733 20.082 1.00 0.00 C ATOM 919 CD GLU A 56 2.411 14.059 21.451 1.00 0.00 C ATOM 920 OE1 GLU A 56 1.300 13.866 21.992 1.00 0.00 O ATOM 921 OE2 GLU A 56 3.463 13.694 22.016 1.00 0.00 O ATOM 0 H GLU A 56 2.957 13.007 17.095 1.00 0.00 H new ATOM 0 HA GLU A 56 1.394 12.266 19.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.679 14.903 18.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.485 14.578 19.334 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.508 14.553 19.690 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.412 15.808 20.232 1.00 0.00 H new ATOM 928 N GLN A 57 0.214 12.754 16.413 1.00 0.00 N ATOM 929 CA GLN A 57 -0.711 12.167 15.398 1.00 0.00 C ATOM 930 C GLN A 57 -0.701 10.598 15.295 1.00 0.00 C ATOM 931 O GLN A 57 -1.762 9.980 15.422 1.00 0.00 O ATOM 932 CB GLN A 57 -0.350 12.800 14.024 1.00 0.00 C ATOM 933 CG GLN A 57 -0.623 14.310 13.802 1.00 0.00 C ATOM 934 CD GLN A 57 -0.072 14.847 12.466 1.00 0.00 C ATOM 935 OE1 GLN A 57 0.146 14.132 11.490 1.00 0.00 O ATOM 936 NE2 GLN A 57 0.168 16.133 12.387 1.00 0.00 N ATOM 0 H GLN A 57 0.833 13.467 16.027 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.727 12.401 15.717 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.712 12.628 13.850 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.892 12.250 13.255 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.698 14.486 13.839 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.180 14.875 14.622 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.009 16.735 13.191 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.532 16.532 11.522 1.00 0.00 H new ATOM 945 N ALA A 58 0.471 9.954 15.091 1.00 0.00 N ATOM 946 CA ALA A 58 0.598 8.468 15.149 1.00 0.00 C ATOM 947 C ALA A 58 0.294 7.788 16.529 1.00 0.00 C ATOM 948 O ALA A 58 -0.343 6.737 16.558 1.00 0.00 O ATOM 949 CB ALA A 58 1.990 8.099 14.604 1.00 0.00 C ATOM 0 H ALA A 58 1.346 10.435 14.884 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.198 8.057 14.528 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.117 7.017 14.632 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.083 8.448 13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.758 8.570 15.218 1.00 0.00 H new ATOM 955 N LYS A 59 0.682 8.410 17.651 1.00 0.00 N ATOM 956 CA LYS A 59 0.233 8.059 19.031 1.00 0.00 C ATOM 957 C LYS A 59 -1.322 8.071 19.281 1.00 0.00 C ATOM 958 O LYS A 59 -1.841 7.107 19.852 1.00 0.00 O ATOM 959 CB LYS A 59 1.053 9.039 19.914 1.00 0.00 C ATOM 960 CG LYS A 59 0.805 9.109 21.440 1.00 0.00 C ATOM 961 CD LYS A 59 1.600 10.304 22.015 1.00 0.00 C ATOM 962 CE LYS A 59 1.311 10.662 23.479 1.00 0.00 C ATOM 963 NZ LYS A 59 1.959 11.975 23.754 1.00 0.00 N ATOM 0 H LYS A 59 1.334 9.194 17.637 1.00 0.00 H new ATOM 0 HA LYS A 59 0.423 7.012 19.267 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.106 8.800 19.769 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.896 10.041 19.515 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.259 9.229 21.645 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.119 8.181 21.917 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.664 10.088 21.918 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.396 11.180 21.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.237 10.720 23.655 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.702 9.894 24.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.052 12.108 24.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.902 11.995 23.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.376 12.740 23.357 1.00 0.00 H new ATOM 977 N GLU A 60 -2.072 9.106 18.847 1.00 0.00 N ATOM 978 CA GLU A 60 -3.571 9.071 18.846 1.00 0.00 C ATOM 979 C GLU A 60 -4.213 8.084 17.806 1.00 0.00 C ATOM 980 O GLU A 60 -5.149 7.355 18.153 1.00 0.00 O ATOM 981 CB GLU A 60 -4.156 10.504 18.714 1.00 0.00 C ATOM 982 CG GLU A 60 -3.887 11.449 19.916 1.00 0.00 C ATOM 983 CD GLU A 60 -4.719 12.723 19.908 1.00 0.00 C ATOM 984 OE1 GLU A 60 -4.321 13.698 19.237 1.00 0.00 O ATOM 985 OE2 GLU A 60 -5.767 12.755 20.586 1.00 0.00 O ATOM 0 H GLU A 60 -1.677 9.977 18.492 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.850 8.658 19.816 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.746 10.963 17.814 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.234 10.426 18.570 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.083 10.907 20.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.831 11.718 19.922 1.00 0.00 H new ATOM 992 N LEU A 61 -3.707 8.008 16.557 1.00 0.00 N ATOM 993 CA LEU A 61 -4.088 6.936 15.587 1.00 0.00 C ATOM 994 C LEU A 61 -3.795 5.460 16.035 1.00 0.00 C ATOM 995 O LEU A 61 -4.638 4.596 15.805 1.00 0.00 O ATOM 996 CB LEU A 61 -3.470 7.256 14.197 1.00 0.00 C ATOM 997 CG LEU A 61 -4.066 8.461 13.419 1.00 0.00 C ATOM 998 CD1 LEU A 61 -3.173 8.830 12.221 1.00 0.00 C ATOM 999 CD2 LEU A 61 -5.495 8.187 12.918 1.00 0.00 C ATOM 0 H LEU A 61 -3.030 8.675 16.187 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.177 6.958 15.535 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.404 7.436 14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.566 6.368 13.572 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.107 9.293 14.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.608 9.676 11.690 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.178 9.098 12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.099 7.977 11.546 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.866 9.060 12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.487 7.326 12.250 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.145 7.981 13.768 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.669 5.168 16.716 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.457 3.929 17.529 1.00 0.00 C ATOM 1013 C LEU A 62 -3.648 3.504 18.457 1.00 0.00 C ATOM 1014 O LEU A 62 -4.143 2.380 18.338 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.085 4.147 18.247 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.689 3.194 19.409 1.00 0.00 C ATOM 1017 CD1 LEU A 62 0.792 2.781 19.326 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -0.933 3.828 20.793 1.00 0.00 C ATOM 0 H LEU A 62 -1.861 5.790 16.724 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.427 3.049 16.887 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.303 4.087 17.490 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.074 5.165 18.637 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.326 2.316 19.297 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.031 2.115 20.155 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.974 2.266 18.383 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.421 3.669 19.381 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.641 3.124 21.572 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.340 4.738 20.886 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.990 4.071 20.901 1.00 0.00 H new ATOM 1030 N GLU A 63 -4.120 4.409 19.327 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.376 4.228 20.117 1.00 0.00 C ATOM 1032 C GLU A 63 -6.675 3.987 19.262 1.00 0.00 C ATOM 1033 O GLU A 63 -7.408 3.029 19.524 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.495 5.422 21.110 1.00 0.00 C ATOM 1035 CG GLU A 63 -6.381 5.188 22.363 1.00 0.00 C ATOM 1036 CD GLU A 63 -7.889 5.068 22.176 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -8.489 5.848 21.405 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -8.504 4.226 22.858 1.00 0.00 O ATOM 0 H GLU A 63 -3.650 5.295 19.513 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.298 3.292 20.670 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.493 5.690 21.445 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.890 6.281 20.567 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.034 4.276 22.849 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.197 6.008 23.057 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.918 4.786 18.201 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.974 4.499 17.178 1.00 0.00 C ATOM 1047 C LEU A 64 -7.877 3.085 16.495 1.00 0.00 C ATOM 1048 O LEU A 64 -8.881 2.366 16.439 1.00 0.00 O ATOM 1049 CB LEU A 64 -8.010 5.699 16.187 1.00 0.00 C ATOM 1050 CG LEU A 64 -9.271 5.871 15.296 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -9.369 7.317 14.775 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -9.314 4.922 14.082 1.00 0.00 C ATOM 0 H LEU A 64 -6.398 5.645 18.021 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.938 4.416 17.681 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.883 6.614 16.766 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.145 5.615 15.529 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.113 5.622 15.942 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.258 7.420 14.153 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.435 8.004 15.619 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.483 7.552 14.184 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.224 5.104 13.510 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.445 5.102 13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.303 3.888 14.428 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.683 2.658 16.032 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.423 1.255 15.576 1.00 0.00 C ATOM 1066 C ILE A 65 -6.663 0.191 16.712 1.00 0.00 C ATOM 1067 O ILE A 65 -7.379 -0.779 16.462 1.00 0.00 O ATOM 1068 CB ILE A 65 -5.018 1.101 14.883 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.710 2.109 13.731 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.824 -0.327 14.305 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.203 2.377 13.541 1.00 0.00 C ATOM 0 H ILE A 65 -5.867 3.266 15.960 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.166 1.041 14.808 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.325 1.315 15.697 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.123 1.723 12.799 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.216 3.052 13.938 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.844 -0.399 13.834 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.894 -1.058 15.110 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.598 -0.528 13.564 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.059 3.086 12.725 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.789 2.792 14.460 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.694 1.443 13.304 1.00 0.00 H new ATOM 1083 N ALA A 66 -6.127 0.352 17.942 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.509 -0.495 19.109 1.00 0.00 C ATOM 1085 C ALA A 66 -8.046 -0.606 19.413 1.00 0.00 C ATOM 1086 O ALA A 66 -8.552 -1.725 19.526 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.699 0.004 20.320 1.00 0.00 C ATOM 0 H ALA A 66 -5.426 1.061 18.159 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.262 -1.527 18.861 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.951 -0.592 21.197 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.634 -0.092 20.110 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.938 1.050 20.512 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.798 0.515 19.439 1.00 0.00 N ATOM 1094 CA ARG A 67 -10.292 0.510 19.409 1.00 0.00 C ATOM 1095 C ARG A 67 -10.960 -0.278 18.225 1.00 0.00 C ATOM 1096 O ARG A 67 -11.845 -1.095 18.484 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.801 1.979 19.481 1.00 0.00 C ATOM 1098 CG ARG A 67 -10.835 2.590 20.902 1.00 0.00 C ATOM 1099 CD ARG A 67 -11.337 4.048 20.907 1.00 0.00 C ATOM 1100 NE ARG A 67 -11.919 4.392 22.236 1.00 0.00 N ATOM 1101 CZ ARG A 67 -11.723 5.526 22.910 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -10.803 6.412 22.629 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -12.495 5.766 23.931 1.00 0.00 N ATOM 0 H ARG A 67 -8.396 1.451 19.481 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.607 -0.058 20.284 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.165 2.600 18.850 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.805 2.021 19.060 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.480 1.985 21.539 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.835 2.552 21.334 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.513 4.724 20.678 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.087 4.184 20.128 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.524 3.695 22.670 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.170 6.259 21.844 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.718 7.256 23.195 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -13.220 5.097 24.191 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.375 6.623 24.471 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.529 -0.089 16.961 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.879 -1.004 15.827 1.00 0.00 C ATOM 1119 C LEU A 68 -10.586 -2.528 16.074 1.00 0.00 C ATOM 1120 O LEU A 68 -11.492 -3.357 15.954 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.188 -0.435 14.545 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.295 -1.257 13.230 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.732 -1.330 12.695 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.374 -0.681 12.144 1.00 0.00 C ATOM 0 H LEU A 68 -9.933 0.692 16.687 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.963 -1.010 15.709 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.603 0.555 14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.130 -0.300 14.769 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.978 -2.270 13.478 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.749 -1.915 11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.373 -1.803 13.438 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.096 -0.323 12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.468 -1.275 11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.658 0.350 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.341 -0.709 12.490 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.337 -2.883 16.410 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.898 -4.298 16.577 1.00 0.00 C ATOM 1138 C LEU A 69 -9.446 -5.046 17.839 1.00 0.00 C ATOM 1139 O LEU A 69 -9.802 -6.222 17.736 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.346 -4.341 16.500 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.655 -3.794 15.218 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -5.137 -3.937 15.364 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -7.128 -4.435 13.904 1.00 0.00 C ATOM 0 H LEU A 69 -8.594 -2.205 16.576 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.347 -4.861 15.759 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.955 -3.784 17.352 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.036 -5.378 16.628 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.946 -2.746 15.140 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.648 -3.555 14.468 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.800 -3.370 16.231 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.882 -4.988 15.497 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.590 -3.989 13.067 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.933 -5.507 13.931 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.197 -4.264 13.780 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.560 -4.379 19.003 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.340 -4.888 20.172 1.00 0.00 C ATOM 1157 C GLN A 70 -11.887 -5.025 19.930 1.00 0.00 C ATOM 1158 O GLN A 70 -12.469 -6.024 20.359 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.029 -3.992 21.406 1.00 0.00 C ATOM 1160 CG GLN A 70 -8.578 -4.091 21.953 1.00 0.00 C ATOM 1161 CD GLN A 70 -8.229 -3.044 23.011 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -7.757 -1.952 22.719 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -8.425 -3.336 24.274 1.00 0.00 N ATOM 0 H GLN A 70 -9.120 -3.474 19.170 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.015 -5.913 20.349 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.229 -2.954 21.140 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.720 -4.254 22.207 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.430 -5.083 22.379 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.881 -3.995 21.120 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.817 -4.241 24.533 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.185 -2.658 24.997 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.542 -4.078 19.222 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.933 -4.257 18.699 1.00 0.00 C ATOM 1174 C LYS A 71 -14.129 -5.456 17.701 1.00 0.00 C ATOM 1175 O LYS A 71 -15.082 -6.219 17.871 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.354 -2.887 18.100 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.824 -2.763 17.620 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.098 -1.504 16.766 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.511 -1.607 15.342 1.00 0.00 C ATOM 1180 NZ LYS A 71 -15.839 -0.412 14.525 1.00 0.00 N ATOM 0 H LYS A 71 -12.133 -3.172 18.993 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.587 -4.550 19.521 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.174 -2.117 18.850 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.700 -2.668 17.256 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.082 -3.648 17.039 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.481 -2.750 18.490 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.174 -1.343 16.700 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.675 -0.632 17.266 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.429 -1.721 15.402 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.899 -2.500 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.220 -0.382 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.832 -0.462 14.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.695 0.447 15.093 1.00 0.00 H new ATOM 1194 N LEU A 72 -13.255 -5.638 16.690 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.238 -6.869 15.837 1.00 0.00 C ATOM 1196 C LEU A 72 -12.908 -8.208 16.588 1.00 0.00 C ATOM 1197 O LEU A 72 -13.593 -9.208 16.360 1.00 0.00 O ATOM 1198 CB LEU A 72 -12.278 -6.635 14.631 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.739 -5.633 13.537 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -11.577 -5.316 12.579 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.930 -6.171 12.721 1.00 0.00 C ATOM 0 H LEU A 72 -12.545 -4.952 16.435 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.261 -7.019 15.492 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.322 -6.289 15.023 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.097 -7.597 14.152 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.059 -4.727 14.052 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.915 -4.613 11.818 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.753 -4.875 13.140 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.239 -6.235 12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.217 -5.436 11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.644 -7.101 12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.773 -6.357 13.387 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.888 -8.233 17.466 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.597 -9.393 18.351 1.00 0.00 C ATOM 1215 C GLY A 73 -10.266 -10.112 18.059 1.00 0.00 C ATOM 1216 O GLY A 73 -10.274 -11.279 17.660 1.00 0.00 O ATOM 0 H GLY A 73 -11.240 -7.455 17.587 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.589 -9.049 19.385 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.410 -10.113 18.261 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.131 -9.431 18.286 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.786 -9.964 17.918 1.00 0.00 C ATOM 1222 C TYR A 74 -6.843 -10.009 19.160 1.00 0.00 C ATOM 1223 O TYR A 74 -6.645 -9.001 19.845 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.176 -9.106 16.774 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.929 -9.085 15.425 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -8.242 -10.264 14.740 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.277 -7.857 14.855 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -8.885 -10.215 13.504 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.908 -7.807 13.615 1.00 0.00 C ATOM 1230 CZ TYR A 74 -9.221 -8.983 12.948 1.00 0.00 C ATOM 1231 OH TYR A 74 -9.877 -8.931 11.750 1.00 0.00 O ATOM 0 H TYR A 74 -9.106 -8.509 18.722 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.898 -10.988 17.561 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.093 -8.079 17.130 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.163 -9.462 16.589 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.984 -11.219 15.172 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.055 -6.940 15.381 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.122 -11.129 12.980 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.154 -6.853 13.172 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.657 -8.342 11.829 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.250 -11.184 19.440 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.378 -11.393 20.638 1.00 0.00 C ATOM 1243 C LYS A 75 -3.851 -11.103 20.455 1.00 0.00 C ATOM 1244 O LYS A 75 -3.281 -10.430 21.318 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.697 -12.770 21.287 1.00 0.00 C ATOM 1246 CG LYS A 75 -5.367 -14.050 20.473 1.00 0.00 C ATOM 1247 CD LYS A 75 -5.678 -15.373 21.207 1.00 0.00 C ATOM 1248 CE LYS A 75 -7.182 -15.674 21.379 1.00 0.00 C ATOM 1249 NZ LYS A 75 -7.359 -16.994 22.046 1.00 0.00 N ATOM 0 H LYS A 75 -6.352 -12.015 18.857 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.642 -10.604 21.342 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.158 -12.827 22.233 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.761 -12.790 21.524 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.929 -14.026 19.539 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.309 -14.035 20.209 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.217 -16.195 20.659 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.211 -15.345 22.192 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.654 -14.890 21.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.675 -15.678 20.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.374 -17.192 22.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.924 -17.738 21.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.903 -16.975 22.981 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.184 -11.592 19.389 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.751 -11.273 19.129 1.00 0.00 C ATOM 1265 C ASP A 76 -1.675 -10.045 18.171 1.00 0.00 C ATOM 1266 O ASP A 76 -1.967 -10.135 16.972 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.017 -12.540 18.614 1.00 0.00 C ATOM 1268 CG ASP A 76 0.500 -12.417 18.402 1.00 0.00 C ATOM 1269 OD1 ASP A 76 1.130 -11.461 18.903 1.00 0.00 O ATOM 1270 OD2 ASP A 76 1.068 -13.289 17.710 1.00 0.00 O ATOM 0 H ASP A 76 -3.606 -12.207 18.693 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.231 -10.986 20.043 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.198 -13.350 19.321 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.470 -12.836 17.668 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.328 -8.884 18.746 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.190 -7.608 17.995 1.00 0.00 C ATOM 1277 C ILE A 77 0.256 -7.093 18.299 1.00 0.00 C ATOM 1278 O ILE A 77 0.532 -6.567 19.383 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.327 -6.578 18.350 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.780 -7.126 18.182 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.176 -5.291 17.501 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.886 -6.273 18.830 1.00 0.00 C ATOM 0 H ILE A 77 -1.133 -8.794 19.743 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.317 -7.753 16.922 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.194 -6.368 19.411 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.994 -7.220 17.117 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.823 -8.129 18.606 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.970 -4.590 17.759 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.208 -4.833 17.703 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.244 -5.543 16.443 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.855 -6.740 18.656 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.707 -6.199 19.903 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.880 -5.275 18.391 1.00 0.00 H new ATOM 1294 N ASN A 78 1.175 -7.216 17.326 1.00 0.00 N ATOM 1295 CA ASN A 78 2.563 -6.690 17.438 1.00 0.00 C ATOM 1296 C ASN A 78 2.588 -5.143 17.177 1.00 0.00 C ATOM 1297 O ASN A 78 2.706 -4.667 16.043 1.00 0.00 O ATOM 1298 CB ASN A 78 3.452 -7.575 16.520 1.00 0.00 C ATOM 1299 CG ASN A 78 4.923 -7.158 16.357 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.548 -6.541 17.216 1.00 0.00 O ATOM 1301 ND2 ASN A 78 5.547 -7.498 15.255 1.00 0.00 N ATOM 0 H ASN A 78 0.986 -7.681 16.438 1.00 0.00 H new ATOM 0 HA ASN A 78 2.979 -6.766 18.443 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.430 -8.593 16.908 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.996 -7.601 15.530 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.528 -7.250 15.127 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.051 -8.011 14.526 1.00 0.00 H new ATOM 1308 N VAL A 79 2.475 -4.380 18.276 1.00 0.00 N ATOM 1309 CA VAL A 79 2.487 -2.887 18.267 1.00 0.00 C ATOM 1310 C VAL A 79 3.974 -2.396 18.229 1.00 0.00 C ATOM 1311 O VAL A 79 4.713 -2.582 19.201 1.00 0.00 O ATOM 1312 CB VAL A 79 1.698 -2.367 19.527 1.00 0.00 C ATOM 1313 CG1 VAL A 79 1.750 -0.831 19.716 1.00 0.00 C ATOM 1314 CG2 VAL A 79 0.202 -2.771 19.552 1.00 0.00 C ATOM 0 H VAL A 79 2.371 -4.775 19.211 1.00 0.00 H new ATOM 0 HA VAL A 79 1.990 -2.485 17.384 1.00 0.00 H new ATOM 0 HB VAL A 79 2.228 -2.861 20.341 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.183 -0.554 20.605 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.786 -0.514 19.833 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.318 -0.342 18.843 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.267 -2.373 20.452 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.299 -2.366 18.672 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.119 -3.858 19.549 1.00 0.00 H new ATOM 1324 N ARG A 80 4.410 -1.771 17.117 1.00 0.00 N ATOM 1325 CA ARG A 80 5.833 -1.364 16.941 1.00 0.00 C ATOM 1326 C ARG A 80 5.959 0.097 16.400 1.00 0.00 C ATOM 1327 O ARG A 80 5.671 0.376 15.233 1.00 0.00 O ATOM 1328 CB ARG A 80 6.574 -2.434 16.076 1.00 0.00 C ATOM 1329 CG ARG A 80 7.605 -3.249 16.891 1.00 0.00 C ATOM 1330 CD ARG A 80 8.214 -4.430 16.114 1.00 0.00 C ATOM 1331 NE ARG A 80 9.363 -5.019 16.859 1.00 0.00 N ATOM 1332 CZ ARG A 80 9.280 -5.887 17.871 1.00 0.00 C ATOM 1333 NH1 ARG A 80 8.160 -6.413 18.306 1.00 0.00 N ATOM 1334 NH2 ARG A 80 10.383 -6.233 18.470 1.00 0.00 N ATOM 0 H ARG A 80 3.808 -1.535 16.328 1.00 0.00 H new ATOM 0 HA ARG A 80 6.329 -1.335 17.911 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.842 -3.114 15.640 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.081 -1.939 15.248 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.407 -2.585 17.213 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.124 -3.628 17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.453 -5.193 15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.546 -4.092 15.132 1.00 0.00 H new ATOM 0 HE ARG A 80 10.298 -4.733 16.569 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.275 -6.164 17.865 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.174 -7.071 19.086 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.274 -5.843 18.163 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.356 -6.894 19.247 1.00 0.00 H new ATOM 1348 N VAL A 81 6.438 1.010 17.266 1.00 0.00 N ATOM 1349 CA VAL A 81 6.691 2.442 16.920 1.00 0.00 C ATOM 1350 C VAL A 81 8.169 2.584 16.421 1.00 0.00 C ATOM 1351 O VAL A 81 9.105 2.529 17.227 1.00 0.00 O ATOM 1352 CB VAL A 81 6.389 3.355 18.170 1.00 0.00 C ATOM 1353 CG1 VAL A 81 6.696 4.859 17.947 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.938 3.265 18.707 1.00 0.00 C ATOM 0 H VAL A 81 6.665 0.784 18.234 1.00 0.00 H new ATOM 0 HA VAL A 81 6.029 2.770 16.119 1.00 0.00 H new ATOM 0 HB VAL A 81 7.074 2.938 18.909 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.461 5.417 18.854 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.752 4.983 17.708 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.091 5.236 17.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.826 3.927 19.566 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.241 3.565 17.924 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.725 2.240 19.009 1.00 0.00 H new ATOM 1364 N ASN A 82 8.387 2.809 15.112 1.00 0.00 N ATOM 1365 CA ASN A 82 9.728 3.188 14.578 1.00 0.00 C ATOM 1366 C ASN A 82 9.770 4.728 14.318 1.00 0.00 C ATOM 1367 O ASN A 82 9.584 5.170 13.186 1.00 0.00 O ATOM 1368 CB ASN A 82 9.988 2.306 13.324 1.00 0.00 C ATOM 1369 CG ASN A 82 11.411 2.382 12.761 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.302 1.655 13.187 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.689 3.238 11.804 1.00 0.00 N ATOM 0 H ASN A 82 7.661 2.738 14.399 1.00 0.00 H new ATOM 0 HA ASN A 82 10.537 2.999 15.284 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.769 1.269 13.577 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.288 2.599 12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.635 3.291 11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.959 3.850 11.439 1.00 0.00 H new ATOM 1378 N GLY A 83 9.992 5.555 15.358 1.00 0.00 N ATOM 1379 CA GLY A 83 9.987 7.041 15.208 1.00 0.00 C ATOM 1380 C GLY A 83 8.606 7.660 14.895 1.00 0.00 C ATOM 1381 O GLY A 83 7.770 7.783 15.789 1.00 0.00 O ATOM 0 H GLY A 83 10.177 5.232 16.308 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.368 7.485 16.128 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.680 7.313 14.412 1.00 0.00 H new ATOM 1385 N THR A 84 8.371 8.013 13.623 1.00 0.00 N ATOM 1386 CA THR A 84 6.993 8.339 13.116 1.00 0.00 C ATOM 1387 C THR A 84 6.153 7.119 12.588 1.00 0.00 C ATOM 1388 O THR A 84 4.936 7.246 12.425 1.00 0.00 O ATOM 1389 CB THR A 84 7.033 9.456 12.020 1.00 0.00 C ATOM 1390 OG1 THR A 84 7.558 9.004 10.766 1.00 0.00 O ATOM 1391 CG2 THR A 84 7.773 10.748 12.406 1.00 0.00 C ATOM 0 H THR A 84 9.101 8.085 12.915 1.00 0.00 H new ATOM 0 HA THR A 84 6.474 8.694 14.006 1.00 0.00 H new ATOM 0 HB THR A 84 5.975 9.699 11.922 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.402 8.529 10.917 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.738 11.450 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.295 11.195 13.278 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.812 10.516 12.641 1.00 0.00 H new ATOM 1399 N GLU A 85 6.796 5.977 12.281 1.00 0.00 N ATOM 1400 CA GLU A 85 6.241 4.902 11.427 1.00 0.00 C ATOM 1401 C GLU A 85 5.719 3.758 12.350 1.00 0.00 C ATOM 1402 O GLU A 85 6.481 2.922 12.854 1.00 0.00 O ATOM 1403 CB GLU A 85 7.338 4.405 10.433 1.00 0.00 C ATOM 1404 CG GLU A 85 8.123 5.451 9.582 1.00 0.00 C ATOM 1405 CD GLU A 85 9.317 6.089 10.291 1.00 0.00 C ATOM 1406 OE1 GLU A 85 10.397 5.463 10.323 1.00 0.00 O ATOM 1407 OE2 GLU A 85 9.170 7.214 10.828 1.00 0.00 O ATOM 0 H GLU A 85 7.734 5.769 12.624 1.00 0.00 H new ATOM 0 HA GLU A 85 5.406 5.268 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.068 3.835 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.863 3.709 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.476 4.966 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.435 6.240 9.277 1.00 0.00 H new ATOM 1414 N VAL A 86 4.407 3.753 12.609 1.00 0.00 N ATOM 1415 CA VAL A 86 3.795 2.899 13.664 1.00 0.00 C ATOM 1416 C VAL A 86 3.100 1.692 12.969 1.00 0.00 C ATOM 1417 O VAL A 86 1.987 1.826 12.446 1.00 0.00 O ATOM 1418 CB VAL A 86 2.862 3.766 14.578 1.00 0.00 C ATOM 1419 CG1 VAL A 86 2.131 2.930 15.651 1.00 0.00 C ATOM 1420 CG2 VAL A 86 3.618 4.891 15.324 1.00 0.00 C ATOM 0 H VAL A 86 3.734 4.331 12.105 1.00 0.00 H new ATOM 0 HA VAL A 86 4.541 2.483 14.341 1.00 0.00 H new ATOM 0 HB VAL A 86 2.145 4.198 13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.500 3.583 16.254 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.513 2.175 15.165 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.864 2.441 16.293 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.917 5.455 15.939 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.388 4.453 15.960 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.083 5.559 14.599 1.00 0.00 H new ATOM 1430 N LYS A 87 3.752 0.513 12.978 1.00 0.00 N ATOM 1431 CA LYS A 87 3.141 -0.735 12.450 1.00 0.00 C ATOM 1432 C LYS A 87 2.366 -1.516 13.558 1.00 0.00 C ATOM 1433 O LYS A 87 2.942 -1.980 14.549 1.00 0.00 O ATOM 1434 CB LYS A 87 4.147 -1.580 11.623 1.00 0.00 C ATOM 1435 CG LYS A 87 5.338 -2.256 12.349 1.00 0.00 C ATOM 1436 CD LYS A 87 5.973 -3.418 11.546 1.00 0.00 C ATOM 1437 CE LYS A 87 5.125 -4.705 11.591 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.698 -5.785 10.747 1.00 0.00 N ATOM 0 H LYS A 87 4.697 0.393 13.342 1.00 0.00 H new ATOM 0 HA LYS A 87 2.375 -0.456 11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.582 -2.364 11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.559 -0.935 10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.102 -1.506 12.553 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.998 -2.634 13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.103 -3.109 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.966 -3.628 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.050 -5.053 12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.112 -4.483 11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.442 -6.710 11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.320 -5.708 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.734 -5.694 10.722 1.00 0.00 H new ATOM 1452 N ILE A 88 1.046 -1.657 13.368 1.00 0.00 N ATOM 1453 CA ILE A 88 0.166 -2.458 14.263 1.00 0.00 C ATOM 1454 C ILE A 88 -0.112 -3.806 13.513 1.00 0.00 C ATOM 1455 O ILE A 88 -0.931 -3.862 12.588 1.00 0.00 O ATOM 1456 CB ILE A 88 -1.126 -1.649 14.640 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.924 -0.192 15.163 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -2.011 -2.431 15.637 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -0.098 -0.012 16.446 1.00 0.00 C ATOM 0 H ILE A 88 0.548 -1.222 12.591 1.00 0.00 H new ATOM 0 HA ILE A 88 0.634 -2.679 15.223 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.621 -1.534 13.675 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.449 0.388 14.372 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.908 0.245 15.331 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.897 -1.842 15.877 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.314 -3.377 15.189 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.447 -2.625 16.549 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.038 1.048 16.694 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.576 -0.550 17.265 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.906 -0.406 16.290 1.00 0.00 H new ATOM 1471 N GLU A 89 0.617 -4.872 13.887 1.00 0.00 N ATOM 1472 CA GLU A 89 0.609 -6.162 13.144 1.00 0.00 C ATOM 1473 C GLU A 89 -0.261 -7.239 13.867 1.00 0.00 C ATOM 1474 O GLU A 89 0.173 -7.876 14.830 1.00 0.00 O ATOM 1475 CB GLU A 89 2.092 -6.551 12.904 1.00 0.00 C ATOM 1476 CG GLU A 89 2.350 -7.940 12.264 1.00 0.00 C ATOM 1477 CD GLU A 89 3.815 -8.321 12.223 1.00 0.00 C ATOM 1478 OE1 GLU A 89 4.307 -8.911 13.208 1.00 0.00 O ATOM 1479 OE2 GLU A 89 4.496 -8.029 11.221 1.00 0.00 O ATOM 0 H GLU A 89 1.226 -4.873 14.705 1.00 0.00 H new ATOM 0 HA GLU A 89 0.123 -6.073 12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.544 -5.792 12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.613 -6.514 13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.801 -8.697 12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.953 -7.943 11.249 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.473 -7.492 13.346 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.349 -8.613 13.816 1.00 0.00 C ATOM 1488 C VAL A 90 -1.766 -9.996 13.375 1.00 0.00 C ATOM 1489 O VAL A 90 -1.293 -10.138 12.245 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.806 -8.414 13.270 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -4.797 -9.556 13.591 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.486 -7.122 13.761 1.00 0.00 C ATOM 0 H VAL A 90 -1.883 -6.939 12.593 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.382 -8.603 14.905 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.617 -8.381 12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.774 -9.319 13.169 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.431 -10.487 13.159 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.886 -9.668 14.672 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.489 -7.057 13.340 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.549 -7.135 14.849 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.902 -6.259 13.441 1.00 0.00 H new ATOM 1502 N ARG A 91 -1.846 -11.009 14.251 1.00 0.00 N ATOM 1503 CA ARG A 91 -1.416 -12.398 13.930 1.00 0.00 C ATOM 1504 C ARG A 91 -2.502 -13.403 14.436 1.00 0.00 C ATOM 1505 O ARG A 91 -2.499 -13.804 15.605 1.00 0.00 O ATOM 1506 CB ARG A 91 -0.037 -12.651 14.604 1.00 0.00 C ATOM 1507 CG ARG A 91 1.179 -11.933 13.975 1.00 0.00 C ATOM 1508 CD ARG A 91 2.401 -11.941 14.913 1.00 0.00 C ATOM 1509 NE ARG A 91 3.580 -11.368 14.206 1.00 0.00 N ATOM 1510 CZ ARG A 91 4.565 -12.052 13.634 1.00 0.00 C ATOM 1511 NH1 ARG A 91 4.711 -13.349 13.728 1.00 0.00 N ATOM 1512 NH2 ARG A 91 5.425 -11.373 12.938 1.00 0.00 N ATOM 0 H ARG A 91 -2.207 -10.900 15.199 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.309 -12.539 12.854 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.108 -12.350 15.649 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.157 -13.724 14.593 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.440 -12.418 13.035 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.910 -10.904 13.738 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.186 -11.361 15.811 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.618 -12.960 15.235 1.00 0.00 H new ATOM 0 HE ARG A 91 3.637 -10.351 14.156 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.043 -13.900 14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.493 -13.809 13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.326 -10.362 12.851 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.200 -11.851 12.479 1.00 0.00 H new ATOM 1526 N VAL A 92 -3.438 -13.840 13.568 1.00 0.00 N ATOM 1527 CA VAL A 92 -4.515 -14.802 13.969 1.00 0.00 C ATOM 1528 C VAL A 92 -3.992 -16.244 13.748 1.00 0.00 C ATOM 1529 O VAL A 92 -4.016 -16.795 12.644 1.00 0.00 O ATOM 1530 CB VAL A 92 -5.907 -14.535 13.291 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -7.047 -15.364 13.930 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.369 -13.062 13.287 1.00 0.00 C ATOM 0 H VAL A 92 -3.480 -13.552 12.590 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.729 -14.653 15.027 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.723 -14.839 12.261 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.986 -15.141 13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.824 -16.426 13.831 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.134 -15.109 14.986 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.340 -12.986 12.797 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.452 -12.704 14.313 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.642 -12.454 12.748 1.00 0.00 H new