USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 79 LYS NZ :NH3+ -162:sc= 2.41 (180deg=0.385) USER MOD Set 1.2: A 92 TYR OH : rot -148:sc= 1.03 USER MOD Set 2.1: A 37 ASN : amide:sc= 1.74 K(o=2.3,f=-0.42) USER MOD Set 2.2: A 74 SER OG : rot -140:sc= 0.552 USER MOD Set 3.1: A 63 HIS : no HE2:sc= 0.785 K(o=-0.056,f=-6.8!) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.841 K(o=-0.056,f=-0.75) USER MOD Set 4.1: A 27 THR OG1 : rot -176:sc= -0.097 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.499 K(o=0.4,f=-5.5!) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.18) USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0043) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 2.37 (180deg=1.98) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 21 ASN : amide:sc= -0.0485 K(o=-0.049,f=-1.3) USER MOD Single : A 28 TYR OH : rot -44:sc= 0.0267 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 34 ASN : amide:sc= -1.01 K(o=-1,f=-4!) USER MOD Single : A 41 THR OG1 : rot -94:sc= -1.44! USER MOD Single : A 44 SER OG : rot 72:sc= 0.232 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.12) USER MOD Single : A 68 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.9!) USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 1.25 (180deg=1.19) USER MOD Single : A 75 CYS SG : rot -140:sc= 0.201 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -161:sc= -0.461 (180deg=-1.18) USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0.474 (180deg=0.283) USER MOD Single : A 87 SER OG : rot 180:sc= 0.118 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.82 F(o=-3.1!,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 14.296 1.845 6.640 1.00 1.13 N ATOM 65 CA GLU A 5 13.170 2.662 7.037 1.00 1.19 C ATOM 66 C GLU A 5 12.310 2.982 5.827 1.00 1.05 C ATOM 67 O GLU A 5 12.749 2.827 4.685 1.00 1.01 O ATOM 68 CB GLU A 5 13.654 3.951 7.697 1.00 1.48 C ATOM 69 CG GLU A 5 14.641 3.723 8.830 1.00 1.61 C ATOM 70 CD GLU A 5 14.923 4.985 9.616 1.00 2.22 C ATOM 71 OE1 GLU A 5 15.539 5.917 9.052 1.00 2.91 O ATOM 72 OE2 GLU A 5 14.545 5.049 10.806 1.00 2.57 O ATOM 0 HA GLU A 5 12.572 2.107 7.760 1.00 1.19 H new ATOM 0 HB2 GLU A 5 14.121 4.583 6.941 1.00 1.48 H new ATOM 0 HB3 GLU A 5 12.793 4.498 8.081 1.00 1.48 H new ATOM 0 HG2 GLU A 5 14.248 2.960 9.502 1.00 1.61 H new ATOM 0 HG3 GLU A 5 15.575 3.337 8.422 1.00 1.61 H new ATOM 79 N ILE A 6 11.094 3.431 6.076 1.00 1.00 N ATOM 80 CA ILE A 6 10.172 3.766 5.004 1.00 0.88 C ATOM 81 C ILE A 6 10.649 5.001 4.244 1.00 0.86 C ATOM 82 O ILE A 6 10.516 6.127 4.724 1.00 0.90 O ATOM 83 CB ILE A 6 8.750 4.016 5.542 1.00 0.86 C ATOM 84 CG1 ILE A 6 8.344 2.907 6.518 1.00 0.94 C ATOM 85 CG2 ILE A 6 7.759 4.102 4.389 1.00 0.79 C ATOM 86 CD1 ILE A 6 7.827 3.428 7.842 1.00 0.92 C ATOM 0 H ILE A 6 10.720 3.573 7.014 1.00 1.00 H new ATOM 0 HA ILE A 6 10.144 2.913 4.326 1.00 0.88 H new ATOM 0 HB ILE A 6 8.742 4.965 6.079 1.00 0.86 H new ATOM 0 HG12 ILE A 6 7.575 2.289 6.054 1.00 0.94 H new ATOM 0 HG13 ILE A 6 9.204 2.262 6.701 1.00 0.94 H new ATOM 0 HG21 ILE A 6 6.758 4.279 4.782 1.00 0.79 H new ATOM 0 HG22 ILE A 6 8.040 4.922 3.728 1.00 0.79 H new ATOM 0 HG23 ILE A 6 7.769 3.166 3.830 1.00 0.79 H new ATOM 0 HD11 ILE A 6 7.558 2.589 8.483 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.602 4.022 8.327 1.00 0.92 H new ATOM 0 HD13 ILE A 6 6.948 4.049 7.670 1.00 0.92 H new ATOM 98 N LYS A 7 11.231 4.779 3.074 1.00 0.86 N ATOM 99 CA LYS A 7 11.721 5.870 2.246 1.00 0.89 C ATOM 100 C LYS A 7 10.593 6.389 1.371 1.00 0.79 C ATOM 101 O LYS A 7 9.873 5.608 0.747 1.00 0.74 O ATOM 102 CB LYS A 7 12.888 5.395 1.374 1.00 0.99 C ATOM 103 CG LYS A 7 14.040 4.803 2.169 1.00 1.10 C ATOM 104 CD LYS A 7 14.936 3.931 1.304 1.00 1.61 C ATOM 105 CE LYS A 7 15.703 4.748 0.278 1.00 1.77 C ATOM 106 NZ LYS A 7 16.912 4.034 -0.207 1.00 2.23 N ATOM 0 H LYS A 7 11.375 3.851 2.677 1.00 0.86 H new ATOM 0 HA LYS A 7 12.077 6.674 2.890 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.523 4.649 0.668 1.00 0.99 H new ATOM 0 HB3 LYS A 7 13.257 6.236 0.786 1.00 0.99 H new ATOM 0 HG2 LYS A 7 14.630 5.608 2.607 1.00 1.10 H new ATOM 0 HG3 LYS A 7 13.645 4.211 2.995 1.00 1.10 H new ATOM 0 HD2 LYS A 7 15.640 3.392 1.938 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.330 3.183 0.793 1.00 1.61 H new ATOM 0 HE2 LYS A 7 15.052 4.974 -0.566 1.00 1.77 H new ATOM 0 HE3 LYS A 7 15.996 5.701 0.718 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.379 4.602 -0.942 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 17.569 3.885 0.586 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.636 3.114 -0.605 1.00 2.23 H new ATOM 120 N GLN A 8 10.430 7.700 1.334 1.00 0.81 N ATOM 121 CA GLN A 8 9.377 8.301 0.536 1.00 0.78 C ATOM 122 C GLN A 8 9.853 8.545 -0.889 1.00 0.90 C ATOM 123 O GLN A 8 10.978 8.988 -1.116 1.00 1.15 O ATOM 124 CB GLN A 8 8.898 9.609 1.172 1.00 0.93 C ATOM 125 CG GLN A 8 10.006 10.619 1.415 1.00 1.29 C ATOM 126 CD GLN A 8 9.511 11.886 2.083 1.00 1.76 C ATOM 127 OE1 GLN A 8 8.494 11.767 2.917 1.00 2.52 O flip ATOM 128 NE2 GLN A 8 10.047 12.970 1.851 1.00 1.94 N flip ATOM 0 H GLN A 8 11.010 8.365 1.845 1.00 0.81 H new ATOM 0 HA GLN A 8 8.538 7.606 0.503 1.00 0.78 H new ATOM 0 HB2 GLN A 8 8.144 10.060 0.527 1.00 0.93 H new ATOM 0 HB3 GLN A 8 8.412 9.383 2.121 1.00 0.93 H new ATOM 0 HG2 GLN A 8 10.777 10.163 2.037 1.00 1.29 H new ATOM 0 HG3 GLN A 8 10.474 10.874 0.464 1.00 1.29 H new ATOM 0 HE21 GLN A 8 10.831 13.023 1.200 1.00 1.94 H new ATOM 0 HE22 GLN A 8 9.707 13.815 2.310 1.00 1.94 H new ATOM 137 N GLY A 9 8.994 8.231 -1.839 1.00 0.87 N ATOM 138 CA GLY A 9 9.313 8.424 -3.233 1.00 1.04 C ATOM 139 C GLY A 9 8.228 9.201 -3.939 1.00 0.71 C ATOM 140 O GLY A 9 7.347 9.764 -3.285 1.00 0.83 O ATOM 0 H GLY A 9 8.068 7.840 -1.666 1.00 0.87 H new ATOM 0 HA2 GLY A 9 10.261 8.955 -3.322 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.444 7.456 -3.716 1.00 1.04 H new ATOM 144 N GLU A 10 8.271 9.220 -5.263 1.00 1.04 N ATOM 145 CA GLU A 10 7.279 9.945 -6.047 1.00 0.82 C ATOM 146 C GLU A 10 5.887 9.343 -5.867 1.00 0.70 C ATOM 147 O GLU A 10 5.542 8.347 -6.510 1.00 0.72 O ATOM 148 CB GLU A 10 7.655 9.958 -7.531 1.00 0.79 C ATOM 149 CG GLU A 10 8.204 8.637 -8.047 1.00 1.82 C ATOM 150 CD GLU A 10 8.013 8.474 -9.539 1.00 2.48 C ATOM 151 OE1 GLU A 10 8.586 9.275 -10.307 1.00 3.19 O ATOM 152 OE2 GLU A 10 7.278 7.555 -9.953 1.00 2.65 O ATOM 0 H GLU A 10 8.981 8.742 -5.818 1.00 1.04 H new ATOM 0 HA GLU A 10 7.262 10.972 -5.682 1.00 0.82 H new ATOM 0 HB2 GLU A 10 6.774 10.225 -8.115 1.00 0.79 H new ATOM 0 HB3 GLU A 10 8.398 10.738 -7.699 1.00 0.79 H new ATOM 0 HG2 GLU A 10 9.266 8.571 -7.811 1.00 1.82 H new ATOM 0 HG3 GLU A 10 7.711 7.815 -7.529 1.00 1.82 H new ATOM 159 N ASN A 11 5.106 9.950 -4.970 1.00 0.63 N ATOM 160 CA ASN A 11 3.743 9.504 -4.680 1.00 0.59 C ATOM 161 C ASN A 11 3.729 8.041 -4.251 1.00 0.47 C ATOM 162 O ASN A 11 2.793 7.300 -4.561 1.00 0.44 O ATOM 163 CB ASN A 11 2.846 9.698 -5.905 1.00 0.71 C ATOM 164 CG ASN A 11 1.721 10.685 -5.658 1.00 0.73 C ATOM 165 OD1 ASN A 11 1.912 11.898 -5.758 1.00 1.10 O ATOM 166 ND2 ASN A 11 0.539 10.174 -5.346 1.00 1.38 N ATOM 0 H ASN A 11 5.400 10.762 -4.427 1.00 0.63 H new ATOM 0 HA ASN A 11 3.358 10.109 -3.859 1.00 0.59 H new ATOM 0 HB2 ASN A 11 3.452 10.046 -6.742 1.00 0.71 H new ATOM 0 HB3 ASN A 11 2.423 8.737 -6.196 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -0.255 10.791 -5.178 1.00 1.38 H new ATOM 0 HD22 ASN A 11 0.423 9.163 -5.273 1.00 1.38 H new ATOM 173 N LYS A 12 4.758 7.631 -3.516 1.00 0.45 N ATOM 174 CA LYS A 12 4.862 6.248 -3.080 1.00 0.43 C ATOM 175 C LYS A 12 5.860 6.089 -1.937 1.00 0.46 C ATOM 176 O LYS A 12 6.570 7.027 -1.578 1.00 0.55 O ATOM 177 CB LYS A 12 5.300 5.369 -4.255 1.00 0.50 C ATOM 178 CG LYS A 12 6.747 5.578 -4.668 1.00 0.65 C ATOM 179 CD LYS A 12 7.215 4.486 -5.612 1.00 0.59 C ATOM 180 CE LYS A 12 8.660 4.687 -6.033 1.00 0.73 C ATOM 181 NZ LYS A 12 9.034 3.789 -7.155 1.00 0.94 N ATOM 0 H LYS A 12 5.524 8.233 -3.213 1.00 0.45 H new ATOM 0 HA LYS A 12 3.880 5.939 -2.721 1.00 0.43 H new ATOM 0 HB2 LYS A 12 5.155 4.322 -3.988 1.00 0.50 H new ATOM 0 HB3 LYS A 12 4.655 5.572 -5.110 1.00 0.50 H new ATOM 0 HG2 LYS A 12 6.853 6.549 -5.151 1.00 0.65 H new ATOM 0 HG3 LYS A 12 7.382 5.592 -3.782 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.109 3.516 -5.127 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.577 4.471 -6.496 1.00 0.59 H new ATOM 0 HE2 LYS A 12 8.811 5.724 -6.331 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.316 4.500 -5.183 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 10.070 3.751 -7.239 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.666 2.834 -6.973 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 8.628 4.153 -8.041 1.00 0.94 H new ATOM 195 N PHE A 13 5.905 4.884 -1.387 1.00 0.46 N ATOM 196 CA PHE A 13 6.826 4.544 -0.309 1.00 0.50 C ATOM 197 C PHE A 13 7.566 3.272 -0.693 1.00 0.50 C ATOM 198 O PHE A 13 6.958 2.352 -1.243 1.00 0.46 O ATOM 199 CB PHE A 13 6.078 4.324 1.013 1.00 0.51 C ATOM 200 CG PHE A 13 5.409 5.554 1.557 1.00 0.53 C ATOM 201 CD1 PHE A 13 6.155 6.666 1.920 1.00 0.63 C ATOM 202 CD2 PHE A 13 4.033 5.595 1.712 1.00 0.54 C ATOM 203 CE1 PHE A 13 5.540 7.794 2.427 1.00 0.69 C ATOM 204 CE2 PHE A 13 3.412 6.719 2.219 1.00 0.59 C ATOM 205 CZ PHE A 13 4.166 7.822 2.576 1.00 0.65 C ATOM 0 H PHE A 13 5.303 4.112 -1.675 1.00 0.46 H new ATOM 0 HA PHE A 13 7.524 5.368 -0.165 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.325 3.550 0.866 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.781 3.948 1.756 1.00 0.51 H new ATOM 0 HD1 PHE A 13 7.229 6.649 1.805 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.439 4.737 1.433 1.00 0.54 H new ATOM 0 HE1 PHE A 13 6.132 8.653 2.707 1.00 0.69 H new ATOM 0 HE2 PHE A 13 2.339 6.737 2.337 1.00 0.59 H new ATOM 0 HZ PHE A 13 3.682 8.703 2.970 1.00 0.65 H new ATOM 215 N TYR A 14 8.861 3.214 -0.431 1.00 0.60 N ATOM 216 CA TYR A 14 9.636 2.031 -0.776 1.00 0.64 C ATOM 217 C TYR A 14 10.831 1.860 0.149 1.00 0.69 C ATOM 218 O TYR A 14 11.319 2.824 0.737 1.00 0.75 O ATOM 219 CB TYR A 14 10.103 2.093 -2.240 1.00 0.67 C ATOM 220 CG TYR A 14 11.143 3.157 -2.528 1.00 0.78 C ATOM 221 CD1 TYR A 14 10.772 4.466 -2.808 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.499 2.845 -2.528 1.00 0.93 C ATOM 223 CE1 TYR A 14 11.721 5.435 -3.076 1.00 0.92 C ATOM 224 CE2 TYR A 14 13.452 3.808 -2.796 1.00 1.04 C ATOM 225 CZ TYR A 14 13.059 5.099 -3.069 1.00 1.03 C ATOM 226 OH TYR A 14 14.010 6.057 -3.340 1.00 1.16 O ATOM 0 H TYR A 14 9.394 3.961 0.014 1.00 0.60 H new ATOM 0 HA TYR A 14 8.985 1.166 -0.651 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.510 1.121 -2.519 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.236 2.270 -2.877 1.00 0.67 H new ATOM 0 HD1 TYR A 14 9.725 4.731 -2.816 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.811 1.833 -2.315 1.00 0.93 H new ATOM 0 HE1 TYR A 14 11.417 6.449 -3.290 1.00 0.92 H new ATOM 0 HE2 TYR A 14 14.501 3.550 -2.791 1.00 1.04 H new ATOM 0 HH TYR A 14 14.902 5.655 -3.293 1.00 1.16 H new ATOM 236 N ILE A 15 11.286 0.624 0.280 1.00 0.71 N ATOM 237 CA ILE A 15 12.435 0.305 1.115 1.00 0.78 C ATOM 238 C ILE A 15 13.453 -0.484 0.296 1.00 0.92 C ATOM 239 O ILE A 15 13.079 -1.382 -0.466 1.00 0.92 O ATOM 240 CB ILE A 15 12.025 -0.503 2.371 1.00 0.73 C ATOM 241 CG1 ILE A 15 11.097 0.335 3.260 1.00 0.67 C ATOM 242 CG2 ILE A 15 13.253 -0.948 3.157 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.509 -0.435 4.425 1.00 0.71 C ATOM 0 H ILE A 15 10.872 -0.183 -0.187 1.00 0.71 H new ATOM 0 HA ILE A 15 12.877 1.241 1.457 1.00 0.78 H new ATOM 0 HB ILE A 15 11.490 -1.395 2.045 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.652 1.190 3.645 1.00 0.67 H new ATOM 0 HG13 ILE A 15 10.284 0.731 2.650 1.00 0.67 H new ATOM 0 HG21 ILE A 15 12.938 -1.513 4.034 1.00 0.80 H new ATOM 0 HG22 ILE A 15 13.881 -1.577 2.526 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.819 -0.072 3.474 1.00 0.80 H new ATOM 0 HD11 ILE A 15 9.864 0.223 5.008 1.00 0.71 H new ATOM 0 HD12 ILE A 15 9.925 -1.275 4.048 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.314 -0.808 5.058 1.00 0.71 H new ATOM 255 N GLY A 16 14.724 -0.137 0.440 1.00 1.09 N ATOM 256 CA GLY A 16 15.770 -0.810 -0.301 1.00 1.26 C ATOM 257 C GLY A 16 16.866 0.148 -0.713 1.00 1.42 C ATOM 258 O GLY A 16 16.704 1.366 -0.597 1.00 1.52 O ATOM 0 H GLY A 16 15.050 0.603 1.061 1.00 1.09 H new ATOM 0 HA2 GLY A 16 16.194 -1.607 0.309 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.344 -1.279 -1.188 1.00 1.26 H new ATOM 262 N ASP A 17 17.973 -0.396 -1.200 1.00 1.55 N ATOM 263 CA ASP A 17 19.115 0.413 -1.629 1.00 1.74 C ATOM 264 C ASP A 17 18.717 1.369 -2.753 1.00 1.66 C ATOM 265 O ASP A 17 18.813 2.587 -2.607 1.00 1.78 O ATOM 266 CB ASP A 17 20.264 -0.492 -2.088 1.00 1.95 C ATOM 267 CG ASP A 17 21.439 0.283 -2.656 1.00 2.20 C ATOM 268 OD1 ASP A 17 22.250 0.809 -1.863 1.00 2.62 O ATOM 269 OD2 ASP A 17 21.549 0.393 -3.896 1.00 2.14 O ATOM 0 H ASP A 17 18.108 -1.401 -1.310 1.00 1.55 H new ATOM 0 HA ASP A 17 19.449 1.007 -0.778 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.605 -1.092 -1.245 1.00 1.95 H new ATOM 0 HB3 ASP A 17 19.894 -1.185 -2.843 1.00 1.95 H new ATOM 274 N ASP A 18 18.251 0.810 -3.860 1.00 1.53 N ATOM 275 CA ASP A 18 17.832 1.603 -5.011 1.00 1.48 C ATOM 276 C ASP A 18 16.427 1.194 -5.420 1.00 1.37 C ATOM 277 O ASP A 18 15.962 0.133 -5.020 1.00 1.29 O ATOM 278 CB ASP A 18 18.802 1.412 -6.180 1.00 1.53 C ATOM 279 CG ASP A 18 18.435 2.255 -7.387 1.00 1.47 C ATOM 280 OD1 ASP A 18 18.629 3.488 -7.336 1.00 1.60 O ATOM 281 OD2 ASP A 18 17.967 1.685 -8.392 1.00 1.41 O ATOM 0 H ASP A 18 18.152 -0.197 -3.988 1.00 1.53 H new ATOM 0 HA ASP A 18 17.836 2.658 -4.736 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.811 1.668 -5.856 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.817 0.361 -6.467 1.00 1.53 H new ATOM 286 N GLU A 19 15.754 2.027 -6.205 1.00 1.41 N ATOM 287 CA GLU A 19 14.397 1.729 -6.651 1.00 1.38 C ATOM 288 C GLU A 19 14.349 0.441 -7.472 1.00 1.34 C ATOM 289 O GLU A 19 13.426 -0.360 -7.326 1.00 1.34 O ATOM 290 CB GLU A 19 13.839 2.886 -7.476 1.00 1.49 C ATOM 291 CG GLU A 19 13.546 4.130 -6.655 1.00 1.76 C ATOM 292 CD GLU A 19 12.505 5.020 -7.301 1.00 2.08 C ATOM 293 OE1 GLU A 19 11.447 4.506 -7.706 1.00 2.72 O ATOM 294 OE2 GLU A 19 12.734 6.244 -7.393 1.00 2.43 O ATOM 0 H GLU A 19 16.125 2.914 -6.546 1.00 1.41 H new ATOM 0 HA GLU A 19 13.783 1.592 -5.761 1.00 1.38 H new ATOM 0 HB2 GLU A 19 14.551 3.138 -8.262 1.00 1.49 H new ATOM 0 HB3 GLU A 19 12.923 2.561 -7.969 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.202 3.834 -5.664 1.00 1.76 H new ATOM 0 HG3 GLU A 19 14.468 4.696 -6.517 1.00 1.76 H new ATOM 301 N ASN A 20 15.351 0.239 -8.320 1.00 1.37 N ATOM 302 CA ASN A 20 15.412 -0.953 -9.165 1.00 1.39 C ATOM 303 C ASN A 20 15.573 -2.216 -8.325 1.00 1.40 C ATOM 304 O ASN A 20 15.070 -3.282 -8.677 1.00 1.52 O ATOM 305 CB ASN A 20 16.567 -0.835 -10.166 1.00 1.48 C ATOM 306 CG ASN A 20 16.767 -2.093 -10.989 1.00 2.08 C ATOM 307 OD1 ASN A 20 17.594 -2.945 -10.657 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.013 -2.219 -12.069 1.00 2.15 N ATOM 0 H ASN A 20 16.132 0.883 -8.442 1.00 1.37 H new ATOM 0 HA ASN A 20 14.472 -1.027 -9.712 1.00 1.39 H new ATOM 0 HB2 ASN A 20 16.377 0.004 -10.835 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.487 -0.610 -9.626 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.105 -3.044 -12.661 1.00 2.15 H new ATOM 0 HD22 ASN A 20 15.340 -1.491 -12.309 1.00 2.15 H new ATOM 315 N ASN A 21 16.258 -2.081 -7.200 1.00 1.36 N ATOM 316 CA ASN A 21 16.493 -3.210 -6.310 1.00 1.38 C ATOM 317 C ASN A 21 15.720 -3.038 -5.009 1.00 1.25 C ATOM 318 O ASN A 21 16.120 -3.549 -3.961 1.00 1.23 O ATOM 319 CB ASN A 21 17.988 -3.344 -6.016 1.00 1.54 C ATOM 320 CG ASN A 21 18.424 -4.791 -5.892 1.00 1.92 C ATOM 321 OD1 ASN A 21 17.595 -5.697 -5.780 1.00 2.21 O ATOM 322 ND2 ASN A 21 19.728 -5.018 -5.904 1.00 2.45 N ATOM 0 H ASN A 21 16.662 -1.200 -6.880 1.00 1.36 H new ATOM 0 HA ASN A 21 16.143 -4.117 -6.803 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.557 -2.863 -6.812 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.223 -2.816 -5.092 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.081 -5.971 -5.819 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.380 -4.240 -5.999 1.00 2.45 H new ATOM 329 N ALA A 22 14.612 -2.310 -5.083 1.00 1.19 N ATOM 330 CA ALA A 22 13.781 -2.064 -3.915 1.00 1.09 C ATOM 331 C ALA A 22 13.189 -3.359 -3.391 1.00 1.06 C ATOM 332 O ALA A 22 12.612 -4.141 -4.153 1.00 1.14 O ATOM 333 CB ALA A 22 12.672 -1.075 -4.247 1.00 1.04 C ATOM 0 H ALA A 22 14.269 -1.880 -5.942 1.00 1.19 H new ATOM 0 HA ALA A 22 14.411 -1.634 -3.137 1.00 1.09 H new ATOM 0 HB1 ALA A 22 12.060 -0.903 -3.361 1.00 1.04 H new ATOM 0 HB2 ALA A 22 13.111 -0.132 -4.573 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.049 -1.481 -5.045 1.00 1.04 H new ATOM 339 N LEU A 23 13.336 -3.583 -2.095 1.00 0.99 N ATOM 340 CA LEU A 23 12.809 -4.780 -1.466 1.00 0.99 C ATOM 341 C LEU A 23 11.301 -4.812 -1.626 1.00 0.87 C ATOM 342 O LEU A 23 10.719 -5.849 -1.938 1.00 0.95 O ATOM 343 CB LEU A 23 13.179 -4.819 0.018 1.00 1.05 C ATOM 344 CG LEU A 23 14.675 -4.729 0.318 1.00 1.25 C ATOM 345 CD1 LEU A 23 14.911 -4.611 1.814 1.00 1.39 C ATOM 346 CD2 LEU A 23 15.407 -5.940 -0.245 1.00 1.37 C ATOM 0 H LEU A 23 13.818 -2.949 -1.458 1.00 0.99 H new ATOM 0 HA LEU A 23 13.246 -5.654 -1.950 1.00 0.99 H new ATOM 0 HB2 LEU A 23 12.673 -3.997 0.524 1.00 1.05 H new ATOM 0 HB3 LEU A 23 12.793 -5.743 0.448 1.00 1.05 H new ATOM 0 HG LEU A 23 15.070 -3.835 -0.164 1.00 1.25 H new ATOM 0 HD11 LEU A 23 15.981 -4.548 2.010 1.00 1.39 H new ATOM 0 HD12 LEU A 23 14.420 -3.714 2.190 1.00 1.39 H new ATOM 0 HD13 LEU A 23 14.501 -5.487 2.317 1.00 1.39 H new ATOM 0 HD21 LEU A 23 16.471 -5.858 -0.022 1.00 1.37 H new ATOM 0 HD22 LEU A 23 15.010 -6.848 0.208 1.00 1.37 H new ATOM 0 HD23 LEU A 23 15.265 -5.981 -1.325 1.00 1.37 H new ATOM 358 N ALA A 24 10.682 -3.655 -1.437 1.00 0.77 N ATOM 359 CA ALA A 24 9.241 -3.531 -1.567 1.00 0.66 C ATOM 360 C ALA A 24 8.847 -2.083 -1.814 1.00 0.60 C ATOM 361 O ALA A 24 9.495 -1.167 -1.303 1.00 0.67 O ATOM 362 CB ALA A 24 8.547 -4.051 -0.316 1.00 0.71 C ATOM 0 H ALA A 24 11.159 -2.787 -1.192 1.00 0.77 H new ATOM 0 HA ALA A 24 8.925 -4.130 -2.421 1.00 0.66 H new ATOM 0 HB1 ALA A 24 7.468 -3.951 -0.430 1.00 0.71 H new ATOM 0 HB2 ALA A 24 8.800 -5.101 -0.169 1.00 0.71 H new ATOM 0 HB3 ALA A 24 8.875 -3.474 0.549 1.00 0.71 H new ATOM 368 N GLU A 25 7.801 -1.882 -2.603 1.00 0.54 N ATOM 369 CA GLU A 25 7.312 -0.543 -2.898 1.00 0.52 C ATOM 370 C GLU A 25 5.794 -0.552 -3.057 1.00 0.43 C ATOM 371 O GLU A 25 5.208 -1.537 -3.519 1.00 0.45 O ATOM 372 CB GLU A 25 7.987 0.036 -4.153 1.00 0.65 C ATOM 373 CG GLU A 25 7.426 -0.476 -5.471 1.00 0.84 C ATOM 374 CD GLU A 25 7.425 0.593 -6.546 1.00 0.87 C ATOM 375 OE1 GLU A 25 8.491 1.190 -6.803 1.00 1.33 O ATOM 376 OE2 GLU A 25 6.358 0.840 -7.149 1.00 1.02 O ATOM 0 H GLU A 25 7.274 -2.631 -3.051 1.00 0.54 H new ATOM 0 HA GLU A 25 7.570 0.101 -2.057 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.893 1.122 -4.131 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.052 -0.192 -4.114 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.016 -1.328 -5.809 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.408 -0.834 -5.316 1.00 0.84 H new ATOM 383 N ILE A 26 5.166 0.535 -2.645 1.00 0.40 N ATOM 384 CA ILE A 26 3.724 0.675 -2.739 1.00 0.33 C ATOM 385 C ILE A 26 3.385 2.046 -3.314 1.00 0.33 C ATOM 386 O ILE A 26 3.956 3.056 -2.895 1.00 0.38 O ATOM 387 CB ILE A 26 3.052 0.484 -1.356 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.531 0.595 -1.471 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.588 1.493 -0.350 1.00 0.41 C ATOM 390 CD1 ILE A 26 0.798 0.236 -0.197 1.00 0.34 C ATOM 0 H ILE A 26 5.639 1.342 -2.238 1.00 0.40 H new ATOM 0 HA ILE A 26 3.339 -0.100 -3.401 1.00 0.33 H new ATOM 0 HB ILE A 26 3.295 -0.517 -0.998 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.270 1.615 -1.755 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.187 -0.057 -2.274 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.102 1.340 0.613 1.00 0.41 H new ATOM 0 HG22 ILE A 26 4.664 1.359 -0.239 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.383 2.503 -0.703 1.00 0.41 H new ATOM 0 HD11 ILE A 26 -0.276 0.338 -0.354 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.029 -0.793 0.078 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.113 0.904 0.604 1.00 0.34 H new ATOM 402 N THR A 27 2.484 2.083 -4.284 1.00 0.33 N ATOM 403 CA THR A 27 2.102 3.338 -4.915 1.00 0.35 C ATOM 404 C THR A 27 0.669 3.721 -4.561 1.00 0.37 C ATOM 405 O THR A 27 -0.211 2.862 -4.489 1.00 0.41 O ATOM 406 CB THR A 27 2.245 3.256 -6.449 1.00 0.40 C ATOM 407 OG1 THR A 27 1.675 2.033 -6.942 1.00 0.60 O ATOM 408 CG2 THR A 27 3.708 3.338 -6.863 1.00 0.51 C ATOM 0 H THR A 27 2.005 1.261 -4.651 1.00 0.33 H new ATOM 0 HA THR A 27 2.777 4.105 -4.535 1.00 0.35 H new ATOM 0 HB THR A 27 1.709 4.102 -6.880 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.829 1.966 -7.908 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.783 3.278 -7.949 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.130 4.283 -6.522 1.00 0.51 H new ATOM 0 HG23 THR A 27 4.260 2.512 -6.415 1.00 0.51 H new ATOM 416 N TYR A 28 0.439 5.009 -4.337 1.00 0.39 N ATOM 417 CA TYR A 28 -0.887 5.499 -3.994 1.00 0.45 C ATOM 418 C TYR A 28 -1.200 6.771 -4.768 1.00 0.48 C ATOM 419 O TYR A 28 -0.298 7.529 -5.123 1.00 0.68 O ATOM 420 CB TYR A 28 -1.009 5.744 -2.482 1.00 0.48 C ATOM 421 CG TYR A 28 -0.006 6.734 -1.919 1.00 0.49 C ATOM 422 CD1 TYR A 28 1.247 6.315 -1.482 1.00 0.51 C ATOM 423 CD2 TYR A 28 -0.316 8.085 -1.818 1.00 0.59 C ATOM 424 CE1 TYR A 28 2.157 7.214 -0.963 1.00 0.60 C ATOM 425 CE2 TYR A 28 0.590 8.990 -1.298 1.00 0.66 C ATOM 426 CZ TYR A 28 1.823 8.549 -0.872 1.00 0.65 C ATOM 427 OH TYR A 28 2.727 9.447 -0.351 1.00 0.76 O ATOM 0 H TYR A 28 1.156 5.733 -4.387 1.00 0.39 H new ATOM 0 HA TYR A 28 -1.613 4.735 -4.272 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.015 6.103 -2.266 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -0.892 4.793 -1.963 1.00 0.48 H new ATOM 0 HD1 TYR A 28 1.512 5.270 -1.550 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -1.282 8.434 -2.152 1.00 0.59 H new ATOM 0 HE1 TYR A 28 3.126 6.873 -0.630 1.00 0.60 H new ATOM 0 HE2 TYR A 28 0.333 10.036 -1.226 1.00 0.66 H new ATOM 0 HH TYR A 28 3.137 9.068 0.455 1.00 0.76 H new ATOM 437 N ARG A 29 -2.475 6.991 -5.041 1.00 0.42 N ATOM 438 CA ARG A 29 -2.906 8.173 -5.774 1.00 0.48 C ATOM 439 C ARG A 29 -4.219 8.699 -5.212 1.00 0.48 C ATOM 440 O ARG A 29 -4.942 7.976 -4.527 1.00 0.49 O ATOM 441 CB ARG A 29 -3.084 7.850 -7.259 1.00 0.56 C ATOM 442 CG ARG A 29 -2.495 8.901 -8.186 1.00 0.93 C ATOM 443 CD ARG A 29 -0.995 8.722 -8.339 1.00 1.22 C ATOM 444 NE ARG A 29 -0.654 7.377 -8.797 1.00 1.83 N ATOM 445 CZ ARG A 29 0.562 7.010 -9.191 1.00 2.81 C ATOM 446 NH1 ARG A 29 1.561 7.887 -9.218 1.00 3.23 N ATOM 447 NH2 ARG A 29 0.774 5.760 -9.573 1.00 3.63 N ATOM 0 H ARG A 29 -3.233 6.366 -4.766 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.136 8.937 -5.664 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -2.617 6.888 -7.471 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -4.147 7.743 -7.474 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -2.973 8.836 -9.163 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -2.707 9.895 -7.793 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -0.612 9.456 -9.048 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -0.506 8.916 -7.384 1.00 1.22 H new ATOM 0 HE ARG A 29 -1.395 6.676 -8.816 1.00 1.83 H new ATOM 0 HH11 ARG A 29 1.399 8.853 -8.935 1.00 3.23 H new ATOM 0 HH12 ARG A 29 2.489 7.593 -9.522 1.00 3.23 H new ATOM 0 HH21 ARG A 29 0.008 5.087 -9.564 1.00 3.63 H new ATOM 0 HH22 ARG A 29 1.704 5.470 -9.877 1.00 3.63 H new ATOM 461 N PHE A 30 -4.521 9.953 -5.506 1.00 0.56 N ATOM 462 CA PHE A 30 -5.755 10.568 -5.040 1.00 0.60 C ATOM 463 C PHE A 30 -6.855 10.374 -6.078 1.00 0.68 C ATOM 464 O PHE A 30 -6.813 10.966 -7.157 1.00 0.83 O ATOM 465 CB PHE A 30 -5.552 12.063 -4.770 1.00 0.66 C ATOM 466 CG PHE A 30 -4.730 12.357 -3.545 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.347 12.407 -3.613 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.344 12.589 -2.324 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.594 12.681 -2.489 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.594 12.865 -1.197 1.00 0.80 C ATOM 471 CZ PHE A 30 -3.218 12.910 -1.280 1.00 0.82 C ATOM 0 H PHE A 30 -3.929 10.566 -6.066 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.048 10.087 -4.107 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.070 12.516 -5.636 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.527 12.538 -4.663 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.852 12.230 -4.557 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.421 12.554 -2.253 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.517 12.716 -2.556 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -5.085 13.045 -0.252 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.630 13.124 -0.400 1.00 0.82 H new ATOM 481 N VAL A 31 -7.829 9.530 -5.757 1.00 0.62 N ATOM 482 CA VAL A 31 -8.932 9.267 -6.673 1.00 0.70 C ATOM 483 C VAL A 31 -9.923 10.425 -6.660 1.00 0.73 C ATOM 484 O VAL A 31 -10.661 10.641 -7.624 1.00 0.83 O ATOM 485 CB VAL A 31 -9.668 7.950 -6.347 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.828 6.751 -6.758 1.00 0.84 C ATOM 487 CG2 VAL A 31 -10.025 7.875 -4.869 1.00 0.67 C ATOM 0 H VAL A 31 -7.878 9.019 -4.875 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.498 9.165 -7.668 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.596 7.932 -6.918 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.364 5.832 -6.520 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.636 6.792 -7.830 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.881 6.768 -6.219 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.543 6.937 -4.667 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.114 7.923 -4.272 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.674 8.711 -4.609 1.00 0.67 H new ATOM 497 N ASP A 32 -9.946 11.156 -5.554 1.00 0.72 N ATOM 498 CA ASP A 32 -10.825 12.311 -5.423 1.00 0.84 C ATOM 499 C ASP A 32 -10.110 13.430 -4.680 1.00 0.97 C ATOM 500 O ASP A 32 -9.603 14.367 -5.294 1.00 1.74 O ATOM 501 CB ASP A 32 -12.128 11.935 -4.713 1.00 0.84 C ATOM 502 CG ASP A 32 -13.179 13.021 -4.831 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.499 13.421 -5.972 1.00 1.16 O ATOM 504 OD2 ASP A 32 -13.696 13.477 -3.792 1.00 1.16 O ATOM 0 H ASP A 32 -9.367 10.970 -4.735 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.082 12.662 -6.422 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.516 11.009 -5.137 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -11.923 11.743 -3.660 1.00 0.84 H new ATOM 509 N ASN A 33 -10.054 13.320 -3.361 1.00 0.89 N ATOM 510 CA ASN A 33 -9.375 14.316 -2.539 1.00 0.95 C ATOM 511 C ASN A 33 -9.005 13.727 -1.186 1.00 0.84 C ATOM 512 O ASN A 33 -7.842 13.727 -0.796 1.00 1.07 O ATOM 513 CB ASN A 33 -10.243 15.562 -2.342 1.00 1.09 C ATOM 514 CG ASN A 33 -9.572 16.593 -1.447 1.00 1.82 C ATOM 515 OD1 ASN A 33 -9.783 16.614 -0.235 1.00 2.09 O ATOM 516 ND2 ASN A 33 -8.748 17.447 -2.036 1.00 2.72 N ATOM 0 H ASN A 33 -10.470 12.552 -2.835 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.466 14.611 -3.063 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -10.458 16.010 -3.312 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -11.199 15.272 -1.906 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -8.263 18.153 -1.482 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -8.598 17.399 -3.044 1.00 2.72 H new ATOM 523 N ASN A 34 -10.002 13.221 -0.480 1.00 0.73 N ATOM 524 CA ASN A 34 -9.786 12.624 0.832 1.00 0.86 C ATOM 525 C ASN A 34 -9.737 11.106 0.710 1.00 0.88 C ATOM 526 O ASN A 34 -9.910 10.382 1.687 1.00 1.22 O ATOM 527 CB ASN A 34 -10.902 13.041 1.795 1.00 1.01 C ATOM 528 CG ASN A 34 -10.492 12.902 3.249 1.00 1.35 C ATOM 529 OD1 ASN A 34 -9.338 13.137 3.602 1.00 1.84 O ATOM 530 ND2 ASN A 34 -11.430 12.520 4.102 1.00 1.83 N ATOM 0 H ASN A 34 -10.973 13.211 -0.793 1.00 0.73 H new ATOM 0 HA ASN A 34 -8.834 12.978 1.228 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -11.182 14.076 1.596 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -11.786 12.430 1.609 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -11.206 12.411 5.091 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -12.376 12.334 3.770 1.00 1.83 H new ATOM 537 N GLU A 35 -9.498 10.630 -0.505 1.00 0.64 N ATOM 538 CA GLU A 35 -9.442 9.199 -0.769 1.00 0.62 C ATOM 539 C GLU A 35 -8.200 8.857 -1.583 1.00 0.57 C ATOM 540 O GLU A 35 -7.964 9.449 -2.642 1.00 0.59 O ATOM 541 CB GLU A 35 -10.699 8.745 -1.526 1.00 0.68 C ATOM 542 CG GLU A 35 -11.890 9.676 -1.356 1.00 1.01 C ATOM 543 CD GLU A 35 -13.159 9.141 -1.988 1.00 1.41 C ATOM 544 OE1 GLU A 35 -13.158 8.871 -3.206 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.171 9.002 -1.267 1.00 2.25 O ATOM 0 H GLU A 35 -9.340 11.216 -1.325 1.00 0.64 H new ATOM 0 HA GLU A 35 -9.395 8.676 0.186 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -10.463 8.663 -2.587 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -10.977 7.748 -1.184 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.064 9.843 -0.293 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -11.652 10.644 -1.797 1.00 1.01 H new ATOM 552 N ILE A 36 -7.407 7.914 -1.089 1.00 0.52 N ATOM 553 CA ILE A 36 -6.202 7.492 -1.789 1.00 0.48 C ATOM 554 C ILE A 36 -6.271 6.008 -2.120 1.00 0.46 C ATOM 555 O ILE A 36 -6.637 5.187 -1.277 1.00 0.53 O ATOM 556 CB ILE A 36 -4.913 7.779 -0.983 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.079 7.362 0.480 1.00 0.48 C ATOM 558 CG2 ILE A 36 -4.546 9.253 -1.077 1.00 0.51 C ATOM 559 CD1 ILE A 36 -3.804 7.463 1.295 1.00 0.51 C ATOM 0 H ILE A 36 -7.577 7.428 -0.208 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.155 8.077 -2.707 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.104 7.189 -1.414 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -5.844 7.986 0.941 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -5.442 6.335 0.516 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -3.637 9.439 -0.505 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.379 9.521 -2.120 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -5.359 9.857 -0.673 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -4.002 7.151 2.320 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.042 6.817 0.860 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.451 8.494 1.291 1.00 0.51 H new ATOM 571 N ASN A 37 -5.934 5.674 -3.352 1.00 0.44 N ATOM 572 CA ASN A 37 -5.970 4.293 -3.801 1.00 0.46 C ATOM 573 C ASN A 37 -4.565 3.741 -3.974 1.00 0.42 C ATOM 574 O ASN A 37 -3.646 4.458 -4.368 1.00 0.50 O ATOM 575 CB ASN A 37 -6.741 4.176 -5.123 1.00 0.54 C ATOM 576 CG ASN A 37 -5.883 4.494 -6.339 1.00 0.86 C ATOM 577 OD1 ASN A 37 -5.681 5.659 -6.684 1.00 1.82 O ATOM 578 ND2 ASN A 37 -5.390 3.460 -7.006 1.00 0.98 N ATOM 0 H ASN A 37 -5.631 6.341 -4.062 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.482 3.707 -3.038 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -7.137 3.165 -5.218 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -7.595 4.852 -5.101 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -4.820 3.614 -7.838 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.580 2.510 -6.687 1.00 0.98 H new ATOM 585 N ILE A 38 -4.407 2.470 -3.653 1.00 0.36 N ATOM 586 CA ILE A 38 -3.133 1.795 -3.804 1.00 0.33 C ATOM 587 C ILE A 38 -3.076 1.152 -5.181 1.00 0.41 C ATOM 588 O ILE A 38 -3.675 0.097 -5.407 1.00 0.53 O ATOM 589 CB ILE A 38 -2.921 0.724 -2.712 1.00 0.36 C ATOM 590 CG1 ILE A 38 -2.857 1.390 -1.337 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.647 -0.064 -2.979 1.00 0.37 C ATOM 592 CD1 ILE A 38 -3.082 0.434 -0.186 1.00 0.69 C ATOM 0 H ILE A 38 -5.153 1.881 -3.283 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.336 2.531 -3.698 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.762 0.031 -2.731 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -1.883 1.865 -1.218 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.605 2.182 -1.292 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.513 -0.814 -2.200 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.720 -0.557 -3.948 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.793 0.614 -2.980 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -3.022 0.979 0.756 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -4.068 -0.022 -0.279 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -2.319 -0.344 -0.205 1.00 0.69 H new ATOM 604 N ASP A 39 -2.373 1.811 -6.093 1.00 0.52 N ATOM 605 CA ASP A 39 -2.241 1.344 -7.471 1.00 0.73 C ATOM 606 C ASP A 39 -1.696 -0.077 -7.528 1.00 0.50 C ATOM 607 O ASP A 39 -2.376 -0.994 -7.992 1.00 0.64 O ATOM 608 CB ASP A 39 -1.327 2.279 -8.267 1.00 1.08 C ATOM 609 CG ASP A 39 -2.077 3.419 -8.930 1.00 1.73 C ATOM 610 OD1 ASP A 39 -3.316 3.478 -8.812 1.00 2.16 O ATOM 611 OD2 ASP A 39 -1.420 4.258 -9.588 1.00 2.47 O ATOM 0 H ASP A 39 -1.879 2.682 -5.901 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.236 1.347 -7.915 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -0.568 2.690 -7.601 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.804 1.703 -9.030 1.00 1.08 H new ATOM 616 N HIS A 40 -0.473 -0.263 -7.052 1.00 0.37 N ATOM 617 CA HIS A 40 0.145 -1.582 -7.059 1.00 0.44 C ATOM 618 C HIS A 40 1.025 -1.783 -5.833 1.00 0.39 C ATOM 619 O HIS A 40 1.381 -0.827 -5.142 1.00 0.42 O ATOM 620 CB HIS A 40 0.956 -1.807 -8.351 1.00 0.72 C ATOM 621 CG HIS A 40 2.234 -1.014 -8.456 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.419 -0.011 -9.382 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.400 -1.100 -7.768 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.636 0.484 -9.254 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.251 -0.157 -8.283 1.00 1.64 N ATOM 0 H HIS A 40 0.108 0.477 -6.658 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.655 -2.321 -7.026 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.198 -2.867 -8.428 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.324 -1.561 -9.204 1.00 0.72 H new ATOM 0 HD2 HIS A 40 3.618 -1.786 -6.962 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.057 1.282 -9.847 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.204 0.019 -7.966 1.00 1.64 H new ATOM 634 N THR A 41 1.365 -3.033 -5.575 1.00 0.41 N ATOM 635 CA THR A 41 2.212 -3.391 -4.452 1.00 0.45 C ATOM 636 C THR A 41 3.143 -4.523 -4.865 1.00 0.54 C ATOM 637 O THR A 41 2.683 -5.609 -5.229 1.00 0.73 O ATOM 638 CB THR A 41 1.381 -3.835 -3.235 1.00 0.48 C ATOM 639 OG1 THR A 41 0.136 -3.126 -3.219 1.00 0.48 O ATOM 640 CG2 THR A 41 2.135 -3.570 -1.939 1.00 0.55 C ATOM 0 H THR A 41 1.062 -3.828 -6.138 1.00 0.41 H new ATOM 0 HA THR A 41 2.787 -2.510 -4.167 1.00 0.45 H new ATOM 0 HB THR A 41 1.195 -4.906 -3.315 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.220 -2.330 -2.654 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.528 -3.892 -1.093 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.073 -4.124 -1.944 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.344 -2.504 -1.851 1.00 0.55 H new ATOM 648 N GLY A 42 4.443 -4.262 -4.830 1.00 0.55 N ATOM 649 CA GLY A 42 5.406 -5.271 -5.216 1.00 0.66 C ATOM 650 C GLY A 42 6.468 -5.490 -4.163 1.00 0.64 C ATOM 651 O GLY A 42 7.002 -4.532 -3.600 1.00 0.70 O ATOM 0 H GLY A 42 4.846 -3.371 -4.541 1.00 0.55 H new ATOM 0 HA2 GLY A 42 4.887 -6.211 -5.405 1.00 0.66 H new ATOM 0 HA3 GLY A 42 5.882 -4.976 -6.151 1.00 0.66 H new ATOM 655 N VAL A 43 6.762 -6.753 -3.893 1.00 0.67 N ATOM 656 CA VAL A 43 7.764 -7.128 -2.901 1.00 0.71 C ATOM 657 C VAL A 43 8.690 -8.186 -3.490 1.00 0.74 C ATOM 658 O VAL A 43 8.248 -9.043 -4.257 1.00 0.82 O ATOM 659 CB VAL A 43 7.112 -7.683 -1.610 1.00 0.79 C ATOM 660 CG1 VAL A 43 8.154 -7.946 -0.535 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.042 -6.733 -1.087 1.00 0.80 C ATOM 0 H VAL A 43 6.315 -7.546 -4.353 1.00 0.67 H new ATOM 0 HA VAL A 43 8.327 -6.232 -2.639 1.00 0.71 H new ATOM 0 HB VAL A 43 6.638 -8.631 -1.865 1.00 0.79 H new ATOM 0 HG11 VAL A 43 7.665 -8.335 0.358 1.00 0.93 H new ATOM 0 HG12 VAL A 43 8.877 -8.676 -0.900 1.00 0.93 H new ATOM 0 HG13 VAL A 43 8.668 -7.016 -0.292 1.00 0.93 H new ATOM 0 HG21 VAL A 43 5.600 -7.146 -0.180 1.00 0.80 H new ATOM 0 HG22 VAL A 43 6.492 -5.766 -0.863 1.00 0.80 H new ATOM 0 HG23 VAL A 43 5.267 -6.606 -1.843 1.00 0.80 H new ATOM 671 N SER A 44 9.967 -8.110 -3.154 1.00 0.82 N ATOM 672 CA SER A 44 10.944 -9.069 -3.650 1.00 0.90 C ATOM 673 C SER A 44 10.931 -10.325 -2.784 1.00 1.01 C ATOM 674 O SER A 44 10.980 -10.244 -1.556 1.00 1.32 O ATOM 675 CB SER A 44 12.340 -8.448 -3.651 1.00 1.27 C ATOM 676 OG SER A 44 12.324 -7.145 -4.214 1.00 1.83 O ATOM 0 H SER A 44 10.353 -7.394 -2.539 1.00 0.82 H new ATOM 0 HA SER A 44 10.680 -9.341 -4.672 1.00 0.90 H new ATOM 0 HB2 SER A 44 12.720 -8.401 -2.631 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.022 -9.083 -4.217 1.00 1.27 H new ATOM 0 HG SER A 44 11.891 -6.525 -3.591 1.00 1.83 H new ATOM 759 N GLY A 51 8.581 -8.284 6.678 1.00 1.01 N ATOM 760 CA GLY A 51 8.051 -7.115 7.358 1.00 1.11 C ATOM 761 C GLY A 51 8.235 -5.827 6.580 1.00 0.88 C ATOM 762 O GLY A 51 7.702 -4.789 6.964 1.00 0.86 O ATOM 0 HA2 GLY A 51 6.989 -7.266 7.549 1.00 1.11 H new ATOM 0 HA3 GLY A 51 8.538 -7.017 8.328 1.00 1.11 H new ATOM 766 N VAL A 52 8.976 -5.898 5.481 1.00 0.80 N ATOM 767 CA VAL A 52 9.235 -4.730 4.648 1.00 0.68 C ATOM 768 C VAL A 52 7.934 -4.156 4.088 1.00 0.58 C ATOM 769 O VAL A 52 7.650 -2.968 4.239 1.00 0.56 O ATOM 770 CB VAL A 52 10.183 -5.075 3.480 1.00 0.70 C ATOM 771 CG1 VAL A 52 10.567 -3.822 2.712 1.00 0.91 C ATOM 772 CG2 VAL A 52 11.424 -5.787 3.993 1.00 1.14 C ATOM 0 H VAL A 52 9.410 -6.757 5.144 1.00 0.80 H new ATOM 0 HA VAL A 52 9.712 -3.983 5.283 1.00 0.68 H new ATOM 0 HB VAL A 52 9.657 -5.745 2.800 1.00 0.70 H new ATOM 0 HG11 VAL A 52 11.236 -4.088 1.893 1.00 0.91 H new ATOM 0 HG12 VAL A 52 9.669 -3.352 2.310 1.00 0.91 H new ATOM 0 HG13 VAL A 52 11.072 -3.126 3.381 1.00 0.91 H new ATOM 0 HG21 VAL A 52 12.081 -6.022 3.156 1.00 1.14 H new ATOM 0 HG22 VAL A 52 11.950 -5.141 4.696 1.00 1.14 H new ATOM 0 HG23 VAL A 52 11.133 -6.709 4.496 1.00 1.14 H new ATOM 782 N GLY A 53 7.138 -5.017 3.461 1.00 0.59 N ATOM 783 CA GLY A 53 5.874 -4.584 2.890 1.00 0.58 C ATOM 784 C GLY A 53 4.907 -4.075 3.942 1.00 0.51 C ATOM 785 O GLY A 53 4.083 -3.201 3.676 1.00 0.50 O ATOM 0 H GLY A 53 7.346 -6.008 3.338 1.00 0.59 H new ATOM 0 HA2 GLY A 53 6.059 -3.796 2.160 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.417 -5.415 2.353 1.00 0.58 H new ATOM 789 N LYS A 54 5.021 -4.613 5.149 1.00 0.52 N ATOM 790 CA LYS A 54 4.155 -4.218 6.250 1.00 0.50 C ATOM 791 C LYS A 54 4.539 -2.835 6.762 1.00 0.48 C ATOM 792 O LYS A 54 3.692 -2.091 7.261 1.00 0.48 O ATOM 793 CB LYS A 54 4.226 -5.247 7.377 1.00 0.59 C ATOM 794 CG LYS A 54 3.746 -6.623 6.958 1.00 0.75 C ATOM 795 CD LYS A 54 3.553 -7.538 8.154 1.00 1.08 C ATOM 796 CE LYS A 54 4.516 -8.711 8.120 1.00 1.49 C ATOM 797 NZ LYS A 54 4.290 -9.650 9.248 1.00 2.02 N ATOM 0 H LYS A 54 5.708 -5.327 5.390 1.00 0.52 H new ATOM 0 HA LYS A 54 3.129 -4.175 5.886 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.255 -5.320 7.730 1.00 0.59 H new ATOM 0 HB3 LYS A 54 3.624 -4.899 8.217 1.00 0.59 H new ATOM 0 HG2 LYS A 54 2.806 -6.531 6.415 1.00 0.75 H new ATOM 0 HG3 LYS A 54 4.468 -7.067 6.273 1.00 0.75 H new ATOM 0 HD2 LYS A 54 3.700 -6.972 9.074 1.00 1.08 H new ATOM 0 HD3 LYS A 54 2.528 -7.908 8.168 1.00 1.08 H new ATOM 0 HE2 LYS A 54 4.404 -9.245 7.176 1.00 1.49 H new ATOM 0 HE3 LYS A 54 5.540 -8.340 8.157 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 4.968 -10.436 9.187 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 4.422 -9.148 10.149 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 3.321 -10.025 9.199 1.00 2.02 H new ATOM 811 N LYS A 55 5.820 -2.500 6.637 1.00 0.51 N ATOM 812 CA LYS A 55 6.310 -1.197 7.064 1.00 0.54 C ATOM 813 C LYS A 55 5.737 -0.111 6.166 1.00 0.47 C ATOM 814 O LYS A 55 5.408 0.983 6.625 1.00 0.48 O ATOM 815 CB LYS A 55 7.840 -1.150 7.023 1.00 0.65 C ATOM 816 CG LYS A 55 8.517 -1.811 8.212 1.00 1.28 C ATOM 817 CD LYS A 55 10.027 -1.618 8.170 1.00 1.72 C ATOM 818 CE LYS A 55 10.676 -1.969 9.500 1.00 2.30 C ATOM 819 NZ LYS A 55 10.624 -3.429 9.782 1.00 2.57 N ATOM 0 H LYS A 55 6.535 -3.113 6.244 1.00 0.51 H new ATOM 0 HA LYS A 55 5.987 -1.027 8.091 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.183 -1.635 6.109 1.00 0.65 H new ATOM 0 HB3 LYS A 55 8.159 -0.109 6.971 1.00 0.65 H new ATOM 0 HG2 LYS A 55 8.121 -1.392 9.137 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.285 -2.876 8.219 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.452 -2.240 7.382 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.255 -0.583 7.916 1.00 1.72 H new ATOM 0 HE2 LYS A 55 11.715 -1.638 9.494 1.00 2.30 H new ATOM 0 HE3 LYS A 55 10.174 -1.428 10.302 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 11.078 -3.622 10.698 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 9.633 -3.741 9.814 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 11.126 -3.946 9.032 1.00 2.57 H new ATOM 833 N LEU A 56 5.616 -0.432 4.883 1.00 0.46 N ATOM 834 CA LEU A 56 5.074 0.500 3.904 1.00 0.45 C ATOM 835 C LEU A 56 3.622 0.816 4.224 1.00 0.38 C ATOM 836 O LEU A 56 3.219 1.980 4.260 1.00 0.37 O ATOM 837 CB LEU A 56 5.165 -0.090 2.500 1.00 0.54 C ATOM 838 CG LEU A 56 6.560 -0.521 2.053 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.483 -1.202 0.700 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.502 0.671 1.992 1.00 0.85 C ATOM 0 H LEU A 56 5.888 -1.336 4.496 1.00 0.46 H new ATOM 0 HA LEU A 56 5.661 1.418 3.946 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.503 -0.954 2.445 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.788 0.647 1.791 1.00 0.54 H new ATOM 0 HG LEU A 56 6.954 -1.227 2.784 1.00 0.65 H new ATOM 0 HD11 LEU A 56 7.482 -1.506 0.388 1.00 0.86 H new ATOM 0 HD12 LEU A 56 5.842 -2.081 0.771 1.00 0.86 H new ATOM 0 HD13 LEU A 56 6.070 -0.509 -0.033 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.489 0.339 1.671 1.00 0.85 H new ATOM 0 HD22 LEU A 56 7.117 1.403 1.282 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.576 1.127 2.979 1.00 0.85 H new ATOM 852 N LEU A 57 2.844 -0.235 4.466 1.00 0.37 N ATOM 853 CA LEU A 57 1.429 -0.087 4.786 1.00 0.36 C ATOM 854 C LEU A 57 1.244 0.744 6.048 1.00 0.34 C ATOM 855 O LEU A 57 0.297 1.524 6.153 1.00 0.37 O ATOM 856 CB LEU A 57 0.769 -1.455 4.966 1.00 0.43 C ATOM 857 CG LEU A 57 0.010 -1.980 3.743 1.00 0.72 C ATOM 858 CD1 LEU A 57 0.974 -2.329 2.620 1.00 1.29 C ATOM 859 CD2 LEU A 57 -0.836 -3.187 4.119 1.00 0.71 C ATOM 0 H LEU A 57 3.171 -1.201 4.446 1.00 0.37 H new ATOM 0 HA LEU A 57 0.951 0.428 3.953 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.538 -2.179 5.234 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.077 -1.399 5.806 1.00 0.43 H new ATOM 0 HG LEU A 57 -0.654 -1.192 3.388 1.00 0.72 H new ATOM 0 HD11 LEU A 57 0.414 -2.700 1.762 1.00 1.29 H new ATOM 0 HD12 LEU A 57 1.534 -1.439 2.331 1.00 1.29 H new ATOM 0 HD13 LEU A 57 1.667 -3.099 2.961 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -1.368 -3.547 3.238 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.191 -3.978 4.502 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.556 -2.902 4.887 1.00 0.71 H new ATOM 871 N LYS A 58 2.161 0.574 6.995 1.00 0.36 N ATOM 872 CA LYS A 58 2.115 1.306 8.255 1.00 0.42 C ATOM 873 C LYS A 58 2.165 2.809 8.001 1.00 0.41 C ATOM 874 O LYS A 58 1.363 3.566 8.545 1.00 0.44 O ATOM 875 CB LYS A 58 3.275 0.884 9.163 1.00 0.50 C ATOM 876 CG LYS A 58 3.258 1.553 10.525 1.00 0.74 C ATOM 877 CD LYS A 58 4.351 1.008 11.426 1.00 1.10 C ATOM 878 CE LYS A 58 4.248 1.569 12.835 1.00 1.13 C ATOM 879 NZ LYS A 58 4.734 2.971 12.919 1.00 1.39 N ATOM 0 H LYS A 58 2.949 -0.068 6.912 1.00 0.36 H new ATOM 0 HA LYS A 58 1.176 1.068 8.756 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.244 -0.197 9.299 1.00 0.50 H new ATOM 0 HB3 LYS A 58 4.217 1.116 8.666 1.00 0.50 H new ATOM 0 HG2 LYS A 58 3.387 2.629 10.405 1.00 0.74 H new ATOM 0 HG3 LYS A 58 2.287 1.399 10.995 1.00 0.74 H new ATOM 0 HD2 LYS A 58 4.285 -0.079 11.461 1.00 1.10 H new ATOM 0 HD3 LYS A 58 5.326 1.255 11.006 1.00 1.10 H new ATOM 0 HE2 LYS A 58 3.210 1.526 13.166 1.00 1.13 H new ATOM 0 HE3 LYS A 58 4.826 0.945 13.516 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 4.934 3.210 13.911 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 5.603 3.071 12.357 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 4.005 3.614 12.548 1.00 1.39 H new ATOM 893 N ALA A 59 3.099 3.225 7.150 1.00 0.43 N ATOM 894 CA ALA A 59 3.264 4.635 6.814 1.00 0.48 C ATOM 895 C ALA A 59 2.039 5.177 6.084 1.00 0.44 C ATOM 896 O ALA A 59 1.609 6.308 6.329 1.00 0.47 O ATOM 897 CB ALA A 59 4.511 4.833 5.969 1.00 0.56 C ATOM 0 H ALA A 59 3.755 2.602 6.679 1.00 0.43 H new ATOM 0 HA ALA A 59 3.374 5.191 7.745 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.622 5.890 5.726 1.00 0.56 H new ATOM 0 HB2 ALA A 59 5.385 4.495 6.526 1.00 0.56 H new ATOM 0 HB3 ALA A 59 4.422 4.256 5.048 1.00 0.56 H new ATOM 903 N VAL A 60 1.485 4.361 5.193 1.00 0.39 N ATOM 904 CA VAL A 60 0.306 4.742 4.424 1.00 0.38 C ATOM 905 C VAL A 60 -0.886 4.972 5.349 1.00 0.37 C ATOM 906 O VAL A 60 -1.524 6.026 5.306 1.00 0.40 O ATOM 907 CB VAL A 60 -0.055 3.662 3.377 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.331 4.027 2.634 1.00 0.44 C ATOM 909 CG2 VAL A 60 1.089 3.472 2.395 1.00 0.41 C ATOM 0 H VAL A 60 1.836 3.426 4.985 1.00 0.39 H new ATOM 0 HA VAL A 60 0.542 5.669 3.901 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.225 2.724 3.905 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -1.562 3.251 1.904 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.153 4.113 3.344 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.194 4.979 2.121 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.819 2.709 1.665 1.00 0.41 H new ATOM 0 HG22 VAL A 60 1.287 4.412 1.881 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.983 3.158 2.934 1.00 0.41 H new ATOM 919 N VAL A 61 -1.162 3.990 6.199 1.00 0.36 N ATOM 920 CA VAL A 61 -2.272 4.077 7.141 1.00 0.40 C ATOM 921 C VAL A 61 -2.059 5.228 8.122 1.00 0.44 C ATOM 922 O VAL A 61 -3.003 5.932 8.478 1.00 0.49 O ATOM 923 CB VAL A 61 -2.458 2.752 7.907 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.503 2.887 9.005 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.845 1.640 6.943 1.00 0.43 C ATOM 0 H VAL A 61 -0.630 3.121 6.255 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.179 4.269 6.568 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.509 2.500 8.380 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.609 1.935 9.525 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.190 3.654 9.713 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.459 3.168 8.564 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.974 0.709 7.495 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.779 1.899 6.445 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -2.059 1.515 6.198 1.00 0.43 H new ATOM 935 N GLU A 62 -0.812 5.427 8.540 1.00 0.47 N ATOM 936 CA GLU A 62 -0.478 6.505 9.463 1.00 0.54 C ATOM 937 C GLU A 62 -0.861 7.851 8.866 1.00 0.55 C ATOM 938 O GLU A 62 -1.520 8.659 9.516 1.00 0.61 O ATOM 939 CB GLU A 62 1.011 6.498 9.803 1.00 0.61 C ATOM 940 CG GLU A 62 1.357 5.627 10.997 1.00 1.05 C ATOM 941 CD GLU A 62 2.748 5.897 11.523 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.064 7.073 11.802 1.00 1.53 O ATOM 943 OE2 GLU A 62 3.534 4.941 11.660 1.00 1.76 O ATOM 0 H GLU A 62 -0.017 4.856 8.254 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.043 6.344 10.381 1.00 0.54 H new ATOM 0 HB2 GLU A 62 1.572 6.150 8.935 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.334 7.520 10.003 1.00 0.61 H new ATOM 0 HG2 GLU A 62 0.631 5.799 11.792 1.00 1.05 H new ATOM 0 HG3 GLU A 62 1.276 4.578 10.714 1.00 1.05 H new ATOM 950 N HIS A 63 -0.467 8.076 7.618 1.00 0.54 N ATOM 951 CA HIS A 63 -0.781 9.328 6.940 1.00 0.61 C ATOM 952 C HIS A 63 -2.289 9.477 6.779 1.00 0.61 C ATOM 953 O HIS A 63 -2.827 10.584 6.829 1.00 0.69 O ATOM 954 CB HIS A 63 -0.090 9.395 5.578 1.00 0.67 C ATOM 955 CG HIS A 63 0.155 10.797 5.108 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.499 11.826 5.958 1.00 0.85 N ATOM 957 CD2 HIS A 63 0.102 11.335 3.870 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.648 12.935 5.263 1.00 0.97 C ATOM 959 NE2 HIS A 63 0.413 12.664 3.993 1.00 1.04 N ATOM 0 H HIS A 63 0.067 7.412 7.058 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.411 10.152 7.551 1.00 0.61 H new ATOM 0 HB2 HIS A 63 0.861 8.866 5.634 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.701 8.874 4.842 1.00 0.67 H new ATOM 0 HD1 HIS A 63 0.619 11.742 6.967 1.00 0.85 H new ATOM 0 HD2 HIS A 63 -0.140 10.815 2.955 1.00 0.97 H new ATOM 0 HE1 HIS A 63 0.917 13.901 5.664 1.00 0.97 H new ATOM 968 N ALA A 64 -2.965 8.349 6.605 1.00 0.56 N ATOM 969 CA ALA A 64 -4.413 8.338 6.463 1.00 0.62 C ATOM 970 C ALA A 64 -5.071 8.726 7.779 1.00 0.70 C ATOM 971 O ALA A 64 -6.157 9.288 7.798 1.00 0.85 O ATOM 972 CB ALA A 64 -4.899 6.973 6.005 1.00 0.61 C ATOM 0 H ALA A 64 -2.531 7.427 6.559 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.692 9.068 5.704 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -5.984 6.988 5.906 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.450 6.731 5.042 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.612 6.220 6.739 1.00 0.61 H new ATOM 978 N ARG A 65 -4.399 8.420 8.880 1.00 0.69 N ATOM 979 CA ARG A 65 -4.907 8.762 10.201 1.00 0.82 C ATOM 980 C ARG A 65 -4.720 10.250 10.459 1.00 0.85 C ATOM 981 O ARG A 65 -5.551 10.894 11.099 1.00 0.96 O ATOM 982 CB ARG A 65 -4.171 7.970 11.280 1.00 0.89 C ATOM 983 CG ARG A 65 -4.484 6.486 11.284 1.00 1.36 C ATOM 984 CD ARG A 65 -5.864 6.206 11.850 1.00 1.44 C ATOM 985 NE ARG A 65 -6.019 4.806 12.233 1.00 2.20 N ATOM 986 CZ ARG A 65 -7.152 4.276 12.684 1.00 2.25 C ATOM 987 NH1 ARG A 65 -8.236 5.033 12.807 1.00 1.87 N ATOM 988 NH2 ARG A 65 -7.201 2.991 13.009 1.00 3.12 N ATOM 0 H ARG A 65 -3.501 7.936 8.885 1.00 0.69 H new ATOM 0 HA ARG A 65 -5.967 8.512 10.236 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -3.098 8.103 11.144 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.423 8.386 12.256 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -4.422 6.098 10.267 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -3.735 5.957 11.873 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -6.036 6.842 12.719 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.620 6.466 11.109 1.00 1.44 H new ATOM 0 HE ARG A 65 -5.206 4.195 12.149 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -8.199 6.021 12.556 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -9.105 4.627 13.153 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -6.369 2.409 12.913 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -8.071 2.585 13.355 1.00 3.12 H new ATOM 1002 N GLU A 66 -3.620 10.781 9.945 1.00 0.79 N ATOM 1003 CA GLU A 66 -3.283 12.187 10.111 1.00 0.88 C ATOM 1004 C GLU A 66 -4.185 13.085 9.267 1.00 0.89 C ATOM 1005 O GLU A 66 -4.741 14.064 9.763 1.00 1.00 O ATOM 1006 CB GLU A 66 -1.824 12.426 9.721 1.00 0.90 C ATOM 1007 CG GLU A 66 -0.836 11.532 10.453 1.00 1.05 C ATOM 1008 CD GLU A 66 0.538 11.536 9.811 1.00 1.33 C ATOM 1009 OE1 GLU A 66 0.620 11.538 8.566 1.00 1.82 O ATOM 1010 OE2 GLU A 66 1.545 11.531 10.550 1.00 1.38 O ATOM 0 H GLU A 66 -2.938 10.251 9.403 1.00 0.79 H new ATOM 0 HA GLU A 66 -3.433 12.440 11.161 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -1.715 12.269 8.648 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -1.571 13.468 9.918 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -0.751 11.862 11.488 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -1.220 10.512 10.474 1.00 1.05 H new ATOM 1017 N ASN A 67 -4.337 12.742 7.992 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.150 13.542 7.074 1.00 0.87 C ATOM 1019 C ASN A 67 -6.596 13.055 7.012 1.00 0.89 C ATOM 1020 O ASN A 67 -7.413 13.638 6.304 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.547 13.521 5.664 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.129 14.062 5.594 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -2.362 13.692 4.706 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.766 14.939 6.516 1.00 1.09 N ATOM 0 H ASN A 67 -3.910 11.918 7.569 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.152 14.561 7.460 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.554 12.497 5.292 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.182 14.106 4.999 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.824 15.331 6.505 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -3.428 15.224 7.238 1.00 1.09 H new ATOM 1031 N ASN A 68 -6.901 11.989 7.753 1.00 0.88 N ATOM 1032 CA ASN A 68 -8.252 11.409 7.781 1.00 0.94 C ATOM 1033 C ASN A 68 -8.672 10.926 6.392 1.00 0.87 C ATOM 1034 O ASN A 68 -9.839 11.030 6.011 1.00 0.94 O ATOM 1035 CB ASN A 68 -9.275 12.419 8.317 1.00 1.10 C ATOM 1036 CG ASN A 68 -9.506 12.282 9.809 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -9.311 11.212 10.388 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -9.941 13.360 10.445 1.00 2.18 N ATOM 0 H ASN A 68 -6.228 11.504 8.347 1.00 0.88 H new ATOM 0 HA ASN A 68 -8.226 10.552 8.453 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -8.931 13.430 8.098 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.221 12.284 7.793 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -10.126 13.321 11.447 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -10.091 14.229 9.932 1.00 2.18 H new ATOM 1045 N LEU A 69 -7.718 10.365 5.661 1.00 0.78 N ATOM 1046 CA LEU A 69 -7.963 9.875 4.307 1.00 0.73 C ATOM 1047 C LEU A 69 -8.576 8.478 4.310 1.00 0.70 C ATOM 1048 O LEU A 69 -8.513 7.751 5.307 1.00 0.70 O ATOM 1049 CB LEU A 69 -6.652 9.836 3.514 1.00 0.66 C ATOM 1050 CG LEU A 69 -5.922 11.172 3.368 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -4.454 10.946 3.044 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -6.573 12.022 2.292 1.00 0.77 C ATOM 0 H LEU A 69 -6.759 10.236 5.985 1.00 0.78 H new ATOM 0 HA LEU A 69 -8.668 10.562 3.840 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -5.979 9.127 3.996 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -6.864 9.448 2.517 1.00 0.66 H new ATOM 0 HG LEU A 69 -5.990 11.703 4.317 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -3.951 11.908 2.944 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -3.988 10.375 3.847 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -4.369 10.393 2.109 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.039 12.968 2.203 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -6.536 11.494 1.339 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -7.612 12.215 2.560 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.179 8.118 3.185 1.00 0.72 N ATOM 1065 CA LYS A 70 -9.779 6.805 3.011 1.00 0.70 C ATOM 1066 C LYS A 70 -8.789 5.904 2.286 1.00 0.62 C ATOM 1067 O LYS A 70 -8.120 6.347 1.348 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.073 6.895 2.200 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.065 7.923 2.719 1.00 0.80 C ATOM 1070 CD LYS A 70 -13.271 8.028 1.803 1.00 1.70 C ATOM 1071 CE LYS A 70 -14.147 9.218 2.157 1.00 1.93 C ATOM 1072 NZ LYS A 70 -15.229 9.417 1.157 1.00 3.05 N ATOM 0 H LYS A 70 -9.265 8.726 2.371 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.019 6.396 3.992 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -10.824 7.136 1.167 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -11.552 5.916 2.192 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -12.389 7.646 3.722 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -11.578 8.895 2.798 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -12.936 8.118 0.770 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -13.858 7.112 1.869 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -14.586 9.067 3.143 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -13.534 10.117 2.215 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -15.341 10.433 0.965 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -14.982 8.923 0.276 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -16.121 9.034 1.530 1.00 3.05 H new ATOM 1086 N ILE A 71 -8.697 4.654 2.709 1.00 0.62 N ATOM 1087 CA ILE A 71 -7.768 3.719 2.094 1.00 0.57 C ATOM 1088 C ILE A 71 -8.493 2.702 1.217 1.00 0.56 C ATOM 1089 O ILE A 71 -9.390 1.993 1.674 1.00 0.62 O ATOM 1090 CB ILE A 71 -6.935 2.970 3.162 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.074 3.954 3.960 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.062 1.899 2.519 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -4.989 4.618 3.140 1.00 0.86 C ATOM 0 H ILE A 71 -9.251 4.264 3.472 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.099 4.309 1.468 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.626 2.479 3.847 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -6.718 4.724 4.386 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -5.614 3.426 4.795 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.487 1.387 3.290 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.694 1.179 1.999 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.381 2.364 1.807 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -4.421 5.300 3.772 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -4.321 3.857 2.736 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -5.442 5.175 2.320 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.115 2.663 -0.051 1.00 0.53 N ATOM 1106 CA ILE A 72 -8.678 1.719 -1.006 1.00 0.54 C ATOM 1107 C ILE A 72 -7.537 1.079 -1.784 1.00 0.50 C ATOM 1108 O ILE A 72 -6.589 1.758 -2.173 1.00 0.75 O ATOM 1109 CB ILE A 72 -9.682 2.382 -1.979 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.396 3.881 -2.124 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.108 2.150 -1.493 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.332 4.588 -3.080 1.00 0.99 C ATOM 0 H ILE A 72 -7.410 3.284 -0.448 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.237 0.966 -0.451 1.00 0.54 H new ATOM 0 HB ILE A 72 -9.567 1.924 -2.962 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.468 4.352 -1.144 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.370 4.015 -2.468 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -11.809 2.620 -2.183 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.307 1.079 -1.447 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.230 2.585 -0.501 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.069 5.645 -3.132 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.244 4.143 -4.071 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.358 4.486 -2.727 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.606 -0.225 -1.994 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.538 -0.924 -2.694 1.00 0.43 C ATOM 1126 C ALA A 73 -6.976 -1.444 -4.052 1.00 0.43 C ATOM 1127 O ALA A 73 -8.028 -2.070 -4.186 1.00 0.47 O ATOM 1128 CB ALA A 73 -6.010 -2.071 -1.844 1.00 0.50 C ATOM 0 H ALA A 73 -8.381 -0.817 -1.694 1.00 0.44 H new ATOM 0 HA ALA A 73 -5.743 -0.199 -2.865 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -5.212 -2.584 -2.381 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.621 -1.679 -0.904 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.818 -2.773 -1.638 1.00 0.50 H new ATOM 1134 N SER A 74 -6.157 -1.180 -5.056 1.00 0.48 N ATOM 1135 CA SER A 74 -6.422 -1.638 -6.404 1.00 0.53 C ATOM 1136 C SER A 74 -5.550 -2.859 -6.705 1.00 0.46 C ATOM 1137 O SER A 74 -5.611 -3.442 -7.790 1.00 0.55 O ATOM 1138 CB SER A 74 -6.137 -0.510 -7.398 1.00 0.69 C ATOM 1139 OG SER A 74 -6.460 0.752 -6.830 1.00 0.94 O ATOM 0 H SER A 74 -5.294 -0.645 -4.958 1.00 0.48 H new ATOM 0 HA SER A 74 -7.470 -1.923 -6.498 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.085 -0.527 -7.684 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.717 -0.665 -8.308 1.00 0.69 H new ATOM 0 HG SER A 74 -6.884 1.317 -7.509 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.750 -3.245 -5.713 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.850 -4.383 -5.834 1.00 0.48 C ATOM 1147 C CYS A 75 -4.318 -5.525 -4.939 1.00 0.45 C ATOM 1148 O CYS A 75 -4.710 -5.300 -3.791 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.428 -3.963 -5.456 1.00 0.59 C ATOM 1150 SG CYS A 75 -1.139 -5.078 -6.053 1.00 1.31 S ATOM 0 H CYS A 75 -4.710 -2.778 -4.807 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.855 -4.729 -6.868 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -2.240 -2.965 -5.851 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -2.359 -3.895 -4.370 1.00 0.59 H new ATOM 0 HG CYS A 75 -0.227 -5.217 -5.137 1.00 1.31 H new ATOM 1156 N SER A 76 -4.272 -6.740 -5.469 1.00 0.57 N ATOM 1157 CA SER A 76 -4.701 -7.926 -4.738 1.00 0.64 C ATOM 1158 C SER A 76 -3.903 -8.131 -3.447 1.00 0.61 C ATOM 1159 O SER A 76 -4.479 -8.424 -2.397 1.00 0.61 O ATOM 1160 CB SER A 76 -4.575 -9.156 -5.642 1.00 0.82 C ATOM 1161 OG SER A 76 -5.158 -8.908 -6.913 1.00 1.12 O ATOM 0 H SER A 76 -3.938 -6.931 -6.414 1.00 0.57 H new ATOM 0 HA SER A 76 -5.742 -7.783 -4.449 1.00 0.64 H new ATOM 0 HB2 SER A 76 -3.524 -9.418 -5.764 1.00 0.82 H new ATOM 0 HB3 SER A 76 -5.064 -10.010 -5.173 1.00 0.82 H new ATOM 0 HG SER A 76 -5.066 -9.705 -7.476 1.00 1.12 H new ATOM 1167 N PHE A 77 -2.584 -7.976 -3.523 1.00 0.63 N ATOM 1168 CA PHE A 77 -1.730 -8.160 -2.354 1.00 0.62 C ATOM 1169 C PHE A 77 -2.090 -7.179 -1.243 1.00 0.55 C ATOM 1170 O PHE A 77 -2.352 -7.581 -0.107 1.00 0.58 O ATOM 1171 CB PHE A 77 -0.252 -8.002 -2.725 1.00 0.68 C ATOM 1172 CG PHE A 77 0.666 -8.174 -1.550 1.00 0.74 C ATOM 1173 CD1 PHE A 77 0.905 -9.428 -1.012 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.307 -7.080 -0.998 1.00 0.77 C ATOM 1175 CE1 PHE A 77 1.767 -9.586 0.057 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.165 -7.228 0.071 1.00 0.87 C ATOM 1177 CZ PHE A 77 2.333 -8.502 0.649 1.00 0.95 C ATOM 0 H PHE A 77 -2.086 -7.725 -4.377 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.897 -9.173 -1.988 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.005 -8.733 -3.491 1.00 0.68 H new ATOM 0 HB3 PHE A 77 -0.095 -7.015 -3.161 1.00 0.68 H new ATOM 0 HD1 PHE A 77 0.412 -10.292 -1.433 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.133 -6.097 -1.410 1.00 0.77 H new ATOM 0 HE1 PHE A 77 1.992 -10.577 0.424 1.00 0.93 H new ATOM 0 HE2 PHE A 77 2.703 -6.376 0.461 1.00 0.87 H new ATOM 0 HZ PHE A 77 2.908 -8.616 1.556 1.00 0.95 H new ATOM 1187 N ALA A 78 -2.106 -5.897 -1.583 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.427 -4.856 -0.618 1.00 0.46 C ATOM 1189 C ALA A 78 -3.809 -5.071 -0.022 1.00 0.44 C ATOM 1190 O ALA A 78 -4.002 -4.909 1.180 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.336 -3.486 -1.268 1.00 0.47 C ATOM 0 H ALA A 78 -1.900 -5.554 -2.521 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.699 -4.908 0.192 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.579 -2.718 -0.534 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.324 -3.326 -1.639 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -3.040 -3.430 -2.098 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.765 -5.459 -0.864 1.00 0.44 N ATOM 1198 CA LYS A 79 -6.126 -5.694 -0.408 1.00 0.47 C ATOM 1199 C LYS A 79 -6.143 -6.798 0.642 1.00 0.52 C ATOM 1200 O LYS A 79 -6.760 -6.648 1.692 1.00 0.55 O ATOM 1201 CB LYS A 79 -7.035 -6.064 -1.579 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.485 -5.661 -1.360 1.00 0.63 C ATOM 1203 CD LYS A 79 -9.394 -6.197 -2.455 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.792 -5.593 -2.374 1.00 1.11 C ATOM 1205 NZ LYS A 79 -11.399 -5.763 -1.027 1.00 1.27 N ATOM 0 H LYS A 79 -4.619 -5.616 -1.861 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.503 -4.774 0.039 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.664 -5.584 -2.485 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.984 -7.140 -1.744 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.823 -6.033 -0.393 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.559 -4.574 -1.327 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.958 -5.977 -3.430 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -9.461 -7.282 -2.374 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.742 -4.532 -2.617 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -11.432 -6.062 -3.121 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -12.428 -5.625 -1.090 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -11.199 -6.721 -0.674 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.995 -5.062 -0.373 1.00 1.27 H new ATOM 1219 N HIS A 80 -5.441 -7.892 0.359 1.00 0.56 N ATOM 1220 CA HIS A 80 -5.367 -9.018 1.289 1.00 0.64 C ATOM 1221 C HIS A 80 -4.771 -8.573 2.618 1.00 0.60 C ATOM 1222 O HIS A 80 -5.236 -8.969 3.684 1.00 0.60 O ATOM 1223 CB HIS A 80 -4.524 -10.160 0.700 1.00 0.77 C ATOM 1224 CG HIS A 80 -4.233 -11.265 1.679 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -5.171 -12.200 2.054 1.00 1.09 N ATOM 1226 CD2 HIS A 80 -3.106 -11.569 2.374 1.00 0.99 C ATOM 1227 CE1 HIS A 80 -4.641 -13.029 2.935 1.00 1.21 C ATOM 1228 NE2 HIS A 80 -3.388 -12.669 3.145 1.00 1.13 N ATOM 0 H HIS A 80 -4.916 -8.024 -0.505 1.00 0.56 H new ATOM 0 HA HIS A 80 -6.381 -9.382 1.456 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -5.046 -10.578 -0.161 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -3.581 -9.753 0.335 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -2.164 -11.043 2.328 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -5.147 -13.860 3.404 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -2.736 -13.133 3.777 1.00 1.13 H new ATOM 1237 N MET A 81 -3.739 -7.750 2.543 1.00 0.58 N ATOM 1238 CA MET A 81 -3.062 -7.253 3.735 1.00 0.59 C ATOM 1239 C MET A 81 -3.985 -6.360 4.555 1.00 0.54 C ATOM 1240 O MET A 81 -4.052 -6.476 5.780 1.00 0.58 O ATOM 1241 CB MET A 81 -1.806 -6.479 3.338 1.00 0.64 C ATOM 1242 CG MET A 81 -0.718 -7.352 2.743 1.00 1.25 C ATOM 1243 SD MET A 81 -0.074 -8.557 3.919 1.00 1.51 S ATOM 1244 CE MET A 81 0.474 -7.469 5.232 1.00 1.09 C ATOM 0 H MET A 81 -3.348 -7.409 1.665 1.00 0.58 H new ATOM 0 HA MET A 81 -2.780 -8.109 4.349 1.00 0.59 H new ATOM 0 HB2 MET A 81 -2.077 -5.708 2.616 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.411 -5.969 4.216 1.00 0.64 H new ATOM 0 HG2 MET A 81 -1.113 -7.875 1.872 1.00 1.25 H new ATOM 0 HG3 MET A 81 0.098 -6.720 2.392 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.185 -7.996 5.868 1.00 1.09 H new ATOM 0 HE2 MET A 81 0.955 -6.591 4.800 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.384 -7.157 5.828 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.703 -5.483 3.870 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.629 -4.567 4.522 1.00 0.51 C ATOM 1256 C LEU A 82 -6.822 -5.321 5.106 1.00 0.56 C ATOM 1257 O LEU A 82 -7.391 -4.916 6.122 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.107 -3.510 3.529 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.022 -2.566 3.007 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.502 -1.843 1.763 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.616 -1.567 4.080 1.00 0.49 C ATOM 0 H LEU A 82 -4.662 -5.386 2.855 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.104 -4.075 5.341 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.566 -4.015 2.679 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.886 -2.914 4.005 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.147 -3.161 2.746 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.718 -1.176 1.405 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.741 -2.571 0.988 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.393 -1.262 2.001 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -3.844 -0.906 3.688 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.484 -0.977 4.375 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.229 -2.102 4.947 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.206 -6.412 4.453 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.316 -7.230 4.924 1.00 0.70 C ATOM 1275 C GLU A 83 -7.860 -8.097 6.090 1.00 0.68 C ATOM 1276 O GLU A 83 -8.661 -8.500 6.933 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.863 -8.107 3.794 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.624 -7.332 2.731 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.106 -8.218 1.597 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -9.946 -9.455 1.692 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -10.654 -7.680 0.612 1.00 1.45 O ATOM 0 H GLU A 83 -6.765 -6.750 3.597 1.00 0.62 H new ATOM 0 HA GLU A 83 -9.116 -6.570 5.260 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -8.034 -8.635 3.322 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.522 -8.864 4.220 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -10.480 -6.837 3.190 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.982 -6.549 2.328 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.564 -8.375 6.127 1.00 0.67 N ATOM 1289 CA LYS A 84 -5.979 -9.183 7.183 1.00 0.69 C ATOM 1290 C LYS A 84 -5.859 -8.379 8.473 1.00 0.68 C ATOM 1291 O LYS A 84 -6.320 -8.812 9.531 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.601 -9.693 6.758 1.00 0.76 C ATOM 1293 CG LYS A 84 -3.845 -10.405 7.868 1.00 0.99 C ATOM 1294 CD LYS A 84 -2.343 -10.254 7.706 1.00 1.43 C ATOM 1295 CE LYS A 84 -1.592 -10.886 8.866 1.00 1.94 C ATOM 1296 NZ LYS A 84 -1.981 -10.297 10.175 1.00 2.33 N ATOM 0 H LYS A 84 -5.894 -8.049 5.430 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.634 -10.035 7.363 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.719 -10.375 5.916 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -4.004 -8.851 6.406 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -4.150 -10.002 8.834 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -4.107 -11.463 7.867 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -2.028 -10.718 6.771 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -2.088 -9.196 7.639 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -1.785 -11.959 8.880 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -0.520 -10.757 8.716 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -1.456 -10.770 10.938 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -1.757 -9.281 10.179 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -3.002 -10.427 10.325 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.238 -7.212 8.380 1.00 0.84 N ATOM 1311 CA GLU A 85 -5.053 -6.357 9.541 1.00 0.96 C ATOM 1312 C GLU A 85 -6.256 -5.443 9.732 1.00 0.93 C ATOM 1313 O GLU A 85 -6.459 -4.495 8.973 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.776 -5.532 9.401 1.00 1.07 C ATOM 1315 CG GLU A 85 -2.826 -5.701 10.573 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.495 -7.154 10.843 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.541 -7.679 10.229 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -3.191 -7.781 11.665 1.00 1.60 O ATOM 0 H GLU A 85 -4.854 -6.837 7.513 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.960 -6.993 10.421 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.264 -5.819 8.482 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.040 -4.479 9.304 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -1.905 -5.153 10.373 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.272 -5.261 11.465 1.00 1.07 H new ATOM 1325 N ASP A 86 -7.042 -5.726 10.761 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.235 -4.940 11.061 1.00 1.10 C ATOM 1327 C ASP A 86 -7.870 -3.498 11.400 1.00 1.02 C ATOM 1328 O ASP A 86 -8.664 -2.584 11.194 1.00 0.99 O ATOM 1329 CB ASP A 86 -9.018 -5.568 12.213 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.302 -4.820 12.514 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -11.275 -4.965 11.746 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -10.343 -4.079 13.520 1.00 2.27 O ATOM 0 H ASP A 86 -6.875 -6.498 11.407 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.864 -4.935 10.171 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -9.253 -6.604 11.967 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -8.393 -5.586 13.106 1.00 1.36 H new ATOM 1337 N SER A 87 -6.657 -3.299 11.907 1.00 1.05 N ATOM 1338 CA SER A 87 -6.178 -1.967 12.257 1.00 1.08 C ATOM 1339 C SER A 87 -6.143 -1.071 11.020 1.00 0.93 C ATOM 1340 O SER A 87 -6.470 0.115 11.085 1.00 0.97 O ATOM 1341 CB SER A 87 -4.786 -2.067 12.875 1.00 1.27 C ATOM 1342 OG SER A 87 -4.479 -3.414 13.209 1.00 1.46 O ATOM 0 H SER A 87 -5.986 -4.047 12.085 1.00 1.05 H new ATOM 0 HA SER A 87 -6.861 -1.525 12.983 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.044 -1.683 12.175 1.00 1.27 H new ATOM 0 HB3 SER A 87 -4.734 -1.445 13.769 1.00 1.27 H new ATOM 0 HG SER A 87 -3.582 -3.457 13.602 1.00 1.46 H new ATOM 1348 N TYR A 88 -5.752 -1.656 9.891 1.00 0.91 N ATOM 1349 CA TYR A 88 -5.687 -0.926 8.632 1.00 0.88 C ATOM 1350 C TYR A 88 -7.081 -0.837 8.025 1.00 0.89 C ATOM 1351 O TYR A 88 -7.415 0.122 7.329 1.00 0.80 O ATOM 1352 CB TYR A 88 -4.737 -1.620 7.646 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.326 -1.848 8.165 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -2.816 -1.058 9.186 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.512 -2.849 7.644 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -1.537 -1.257 9.675 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.232 -3.053 8.129 1.00 0.97 C ATOM 1358 CZ TYR A 88 -0.734 -2.276 9.088 1.00 0.93 C ATOM 1359 OH TYR A 88 0.525 -2.453 9.622 1.00 1.00 O ATOM 0 H TYR A 88 -5.475 -2.635 9.824 1.00 0.91 H new ATOM 0 HA TYR A 88 -5.305 0.076 8.830 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.166 -2.583 7.368 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -4.681 -1.022 6.737 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -3.428 -0.274 9.606 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -2.885 -3.477 6.848 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.156 -0.652 10.485 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.630 -3.853 7.724 1.00 0.97 H new ATOM 0 HH TYR A 88 0.984 -3.176 9.145 1.00 1.00 H new ATOM 1369 N GLN A 89 -7.899 -1.842 8.326 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.268 -1.917 7.823 1.00 1.18 C ATOM 1371 C GLN A 89 -10.148 -0.829 8.437 1.00 1.16 C ATOM 1372 O GLN A 89 -11.285 -0.620 8.011 1.00 1.26 O ATOM 1373 CB GLN A 89 -9.849 -3.302 8.113 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.942 -3.729 7.142 1.00 1.61 C ATOM 1375 CD GLN A 89 -11.141 -5.233 7.108 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -10.063 -5.979 7.282 1.00 2.42 O flip ATOM 1377 NE2 GLN A 89 -12.253 -5.721 6.905 1.00 2.33 N flip ATOM 0 H GLN A 89 -7.633 -2.625 8.923 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.247 -1.753 6.746 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -9.044 -4.036 8.084 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -10.252 -3.311 9.126 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -11.879 -3.249 7.423 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -10.691 -3.377 6.141 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -13.061 -5.112 6.776 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -12.366 -6.734 6.866 1.00 2.33 H new ATOM 1386 N ASP A 90 -9.619 -0.140 9.439 1.00 1.11 N ATOM 1387 CA ASP A 90 -10.346 0.940 10.088 1.00 1.17 C ATOM 1388 C ASP A 90 -10.537 2.092 9.108 1.00 1.09 C ATOM 1389 O ASP A 90 -11.595 2.713 9.052 1.00 1.33 O ATOM 1390 CB ASP A 90 -9.592 1.435 11.324 1.00 1.18 C ATOM 1391 CG ASP A 90 -9.864 0.608 12.569 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -10.964 0.030 12.686 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -8.977 0.546 13.451 1.00 2.03 O ATOM 0 H ASP A 90 -8.688 -0.311 9.820 1.00 1.11 H new ATOM 0 HA ASP A 90 -11.319 0.562 10.403 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -8.522 1.424 11.116 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.868 2.471 11.518 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.498 2.364 8.326 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.545 3.435 7.340 1.00 0.79 C ATOM 1400 C VAL A 91 -9.720 2.872 5.932 1.00 0.73 C ATOM 1401 O VAL A 91 -10.108 3.585 5.006 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.277 4.314 7.393 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -8.311 5.224 8.612 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.020 3.454 7.405 1.00 0.78 C ATOM 0 H VAL A 91 -8.613 1.857 8.357 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.405 4.058 7.586 1.00 0.79 H new ATOM 0 HB VAL A 91 -8.256 4.934 6.497 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -7.410 5.837 8.634 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -9.188 5.870 8.560 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.360 4.618 9.517 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.140 4.096 7.443 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.032 2.804 8.280 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -6.987 2.846 6.501 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.427 1.590 5.776 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.563 0.925 4.490 1.00 0.71 C ATOM 1416 C TYR A 92 -10.988 0.423 4.312 1.00 0.80 C ATOM 1417 O TYR A 92 -11.558 -0.188 5.216 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.554 -0.228 4.375 1.00 0.76 C ATOM 1419 CG TYR A 92 -8.999 -1.373 3.486 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -9.119 -1.199 2.113 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.301 -2.621 4.016 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.527 -2.233 1.295 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.710 -3.661 3.201 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.810 -3.485 1.870 1.00 1.02 C ATOM 1425 OH TYR A 92 -10.222 -4.491 1.028 1.00 1.14 O ATOM 0 H TYR A 92 -9.092 0.988 6.528 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.349 1.640 3.695 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.613 0.167 3.992 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.353 -0.618 5.373 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.889 -0.238 1.678 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.215 -2.782 5.081 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -9.627 -2.083 0.230 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -9.951 -4.620 3.635 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.838 -5.085 1.505 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.559 0.690 3.147 1.00 0.74 N ATOM 1436 CA LEU A 93 -12.920 0.273 2.842 1.00 0.84 C ATOM 1437 C LEU A 93 -12.980 -1.230 2.585 1.00 1.05 C ATOM 1438 O LEU A 93 -13.036 -1.674 1.436 1.00 1.14 O ATOM 1439 CB LEU A 93 -13.453 1.043 1.631 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.536 2.565 1.805 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -14.080 3.221 0.545 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -14.402 2.920 3.007 1.00 1.42 C ATOM 0 H LEU A 93 -11.097 1.197 2.392 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.549 0.498 3.704 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -12.815 0.826 0.774 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.447 0.667 1.391 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.529 2.943 1.981 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -14.131 4.300 0.690 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -13.422 2.998 -0.295 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.078 2.836 0.336 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -14.449 4.004 3.114 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -15.408 2.526 2.860 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -13.970 2.485 3.908 1.00 1.42 H new