USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 953 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 76 THR OG1 : rot 104:sc= 1.12 USER MOD Set 1.2: A 92 TYR OH : rot 10:sc= 0.798 USER MOD Set 2.1: A 45 GLN : amide:sc= 0.041 K(o=0.19,f=-1.4) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.148 K(o=0.19,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0574) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.011 (180deg=-0.272) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=-0.015) USER MOD Single : A 7 HIS : no HD1:sc=-0.00701 X(o=-0.007,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.0091) USER MOD Single : A 9 HIS : no HD1:sc=-0.00791 X(o=-0.0079,f=-0.3) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 160:sc= 0 USER MOD Single : A 20 MET CE :methyl 166:sc= -0.184 (180deg=-0.429) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.17 (180deg=-0.483) USER MOD Single : A 24 GLN : amide:sc= -0.833 K(o=-0.83,f=-6.4!) USER MOD Single : A 29 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.8) USER MOD Single : A 33 SER OG : rot 87:sc= 1 USER MOD Single : A 34 MET CE :methyl 134:sc= -0.371 (180deg=-1.18) USER MOD Single : A 37 THR OG1 : rot 71:sc= 0.945 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.123 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.157 K(o=0.16,f=-0.57) USER MOD Single : A 61 SER OG : rot -140:sc= 0.13 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc=-0.00879 K(o=-0.0088,f=-1.2) USER MOD Single : A 83 THR OG1 : rot -38:sc= 0.247 USER MOD Single : A 85 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.75) USER MOD Single : A 86 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.32) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0534) USER MOD Single : A 96 THR OG1 : rot -87:sc= 0.48 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 167:sc= 0.916 USER MOD Single : A 99 LYS NZ :NH3+ 168:sc= -0.0413 (180deg=-0.255) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.606 K(o=0.61,f=-4.8!) USER MOD Single : A 103 LYS NZ :NH3+ -141:sc= -1.54 (180deg=-4.5!) USER MOD Single : A 104 ASN : amide:sc= -3.18! C(o=-3.2!,f=-9.8!) USER MOD Single : A 111 MET CE :methyl -163:sc= -0.0932 (180deg=-0.507) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.055 33.202 -1.077 1.00 52.54 N ATOM 2 CA MET A 1 13.376 32.536 0.209 1.00 71.14 C ATOM 3 C MET A 1 13.441 31.019 -0.007 1.00 34.23 C ATOM 4 O MET A 1 12.543 30.450 -0.634 1.00 65.40 O ATOM 5 CB MET A 1 12.317 32.903 1.284 1.00 10.33 C ATOM 6 CG MET A 1 12.273 34.392 1.642 1.00 20.31 C ATOM 7 SD MET A 1 10.857 34.832 2.678 1.00 3.12 S ATOM 8 CE MET A 1 11.140 33.883 4.170 1.00 0.31 C ATOM 0 H1 MET A 1 13.273 34.216 -1.006 1.00 52.54 H new ATOM 0 H2 MET A 1 13.622 32.778 -1.839 1.00 52.54 H new ATOM 0 H3 MET A 1 12.044 33.079 -1.289 1.00 52.54 H new ATOM 0 HA MET A 1 14.346 32.880 0.567 1.00 71.14 H new ATOM 0 HB2 MET A 1 11.333 32.598 0.927 1.00 10.33 H new ATOM 0 HB3 MET A 1 12.520 32.330 2.188 1.00 10.33 H new ATOM 0 HG2 MET A 1 13.193 34.662 2.161 1.00 20.31 H new ATOM 0 HG3 MET A 1 12.240 34.979 0.724 1.00 20.31 H new ATOM 0 HE1 MET A 1 10.395 34.152 4.919 1.00 0.31 H new ATOM 0 HE2 MET A 1 11.061 32.819 3.945 1.00 0.31 H new ATOM 0 HE3 MET A 1 12.136 34.099 4.555 1.00 0.31 H new ATOM 20 N SER A 2 14.509 30.373 0.501 1.00 42.22 N ATOM 21 CA SER A 2 14.743 28.923 0.343 1.00 52.24 C ATOM 22 C SER A 2 14.538 28.210 1.688 1.00 32.12 C ATOM 23 O SER A 2 15.500 27.920 2.406 1.00 23.45 O ATOM 24 CB SER A 2 16.168 28.678 -0.229 1.00 35.22 C ATOM 25 OG SER A 2 16.349 29.354 -1.462 1.00 5.55 O ATOM 0 H SER A 2 15.238 30.845 1.036 1.00 42.22 H new ATOM 0 HA SER A 2 14.024 28.509 -0.364 1.00 52.24 H new ATOM 0 HB2 SER A 2 16.914 29.019 0.489 1.00 35.22 H new ATOM 0 HB3 SER A 2 16.327 27.609 -0.371 1.00 35.22 H new ATOM 0 HG SER A 2 17.254 29.184 -1.798 1.00 5.55 H new ATOM 31 N GLY A 3 13.263 28.000 2.051 1.00 24.24 N ATOM 32 CA GLY A 3 12.892 27.315 3.290 1.00 4.20 C ATOM 33 C GLY A 3 11.729 26.368 3.082 1.00 72.11 C ATOM 34 O GLY A 3 11.940 25.194 2.792 1.00 41.51 O ATOM 0 H GLY A 3 12.465 28.301 1.492 1.00 24.24 H new ATOM 0 HA2 GLY A 3 13.750 26.760 3.669 1.00 4.20 H new ATOM 0 HA3 GLY A 3 12.629 28.052 4.048 1.00 4.20 H new ATOM 38 N SER A 4 10.489 26.881 3.204 1.00 21.03 N ATOM 39 CA SER A 4 9.260 26.061 3.101 1.00 51.23 C ATOM 40 C SER A 4 8.238 26.683 2.126 1.00 62.34 C ATOM 41 O SER A 4 7.069 26.303 2.143 1.00 20.50 O ATOM 42 CB SER A 4 8.636 25.891 4.510 1.00 32.53 C ATOM 43 OG SER A 4 9.546 25.288 5.420 1.00 0.21 O ATOM 0 H SER A 4 10.309 27.870 3.376 1.00 21.03 H new ATOM 0 HA SER A 4 9.531 25.084 2.701 1.00 51.23 H new ATOM 0 HB2 SER A 4 8.331 26.865 4.893 1.00 32.53 H new ATOM 0 HB3 SER A 4 7.736 25.281 4.438 1.00 32.53 H new ATOM 0 HG SER A 4 9.120 25.198 6.298 1.00 0.21 H new ATOM 49 N HIS A 5 8.687 27.603 1.244 1.00 33.43 N ATOM 50 CA HIS A 5 7.785 28.298 0.285 1.00 31.04 C ATOM 51 C HIS A 5 7.235 27.323 -0.773 1.00 74.42 C ATOM 52 O HIS A 5 6.117 27.503 -1.270 1.00 65.10 O ATOM 53 CB HIS A 5 8.509 29.481 -0.404 1.00 25.34 C ATOM 54 CG HIS A 5 7.622 30.339 -1.282 1.00 21.44 C ATOM 55 ND1 HIS A 5 6.868 31.381 -0.791 1.00 22.55 N ATOM 56 CD2 HIS A 5 7.375 30.310 -2.618 1.00 0.45 C ATOM 57 CE1 HIS A 5 6.204 31.947 -1.772 1.00 73.33 C ATOM 58 NE2 HIS A 5 6.492 31.320 -2.892 1.00 74.22 N ATOM 0 H HIS A 5 9.665 27.884 1.172 1.00 33.43 H new ATOM 0 HA HIS A 5 6.945 28.692 0.857 1.00 31.04 H new ATOM 0 HB2 HIS A 5 8.957 30.112 0.364 1.00 25.34 H new ATOM 0 HB3 HIS A 5 9.325 29.087 -1.010 1.00 25.34 H new ATOM 0 HD2 HIS A 5 7.797 29.618 -3.332 1.00 0.45 H new ATOM 0 HE1 HIS A 5 5.533 32.788 -1.676 1.00 73.33 H new ATOM 0 HE2 HIS A 5 6.119 31.549 -3.813 1.00 74.22 H new ATOM 67 N HIS A 6 8.039 26.293 -1.101 1.00 75.21 N ATOM 68 CA HIS A 6 7.635 25.236 -2.051 1.00 5.42 C ATOM 69 C HIS A 6 6.549 24.338 -1.430 1.00 34.14 C ATOM 70 O HIS A 6 5.786 23.690 -2.158 1.00 74.33 O ATOM 71 CB HIS A 6 8.846 24.384 -2.516 1.00 34.32 C ATOM 72 CG HIS A 6 9.858 25.132 -3.355 1.00 12.01 C ATOM 73 ND1 HIS A 6 10.273 24.705 -4.596 1.00 3.32 N ATOM 74 CD2 HIS A 6 10.544 26.275 -3.120 1.00 35.54 C ATOM 75 CE1 HIS A 6 11.164 25.541 -5.079 1.00 52.41 C ATOM 76 NE2 HIS A 6 11.345 26.502 -4.206 1.00 62.30 N ATOM 0 H HIS A 6 8.977 26.170 -0.720 1.00 75.21 H new ATOM 0 HA HIS A 6 7.224 25.728 -2.932 1.00 5.42 H new ATOM 0 HB2 HIS A 6 9.349 23.982 -1.637 1.00 34.32 H new ATOM 0 HB3 HIS A 6 8.476 23.534 -3.089 1.00 34.32 H new ATOM 0 HD2 HIS A 6 10.472 26.894 -2.238 1.00 35.54 H new ATOM 0 HE1 HIS A 6 11.662 25.452 -6.033 1.00 52.41 H new ATOM 0 HE2 HIS A 6 11.981 27.292 -4.318 1.00 62.30 H new ATOM 85 N HIS A 7 6.485 24.317 -0.083 1.00 22.30 N ATOM 86 CA HIS A 7 5.422 23.614 0.656 1.00 51.55 C ATOM 87 C HIS A 7 4.141 24.470 0.645 1.00 23.51 C ATOM 88 O HIS A 7 3.932 25.311 1.520 1.00 5.21 O ATOM 89 CB HIS A 7 5.856 23.281 2.111 1.00 23.41 C ATOM 90 CG HIS A 7 6.989 22.305 2.218 1.00 42.43 C ATOM 91 ND1 HIS A 7 6.880 21.080 2.839 1.00 4.14 N ATOM 92 CD2 HIS A 7 8.263 22.386 1.793 1.00 54.42 C ATOM 93 CE1 HIS A 7 8.038 20.461 2.794 1.00 74.14 C ATOM 94 NE2 HIS A 7 8.892 21.230 2.162 1.00 30.12 N ATOM 0 H HIS A 7 7.165 24.784 0.517 1.00 22.30 H new ATOM 0 HA HIS A 7 5.225 22.664 0.160 1.00 51.55 H new ATOM 0 HB2 HIS A 7 6.143 24.206 2.611 1.00 23.41 H new ATOM 0 HB3 HIS A 7 4.997 22.881 2.649 1.00 23.41 H new ATOM 0 HD2 HIS A 7 8.707 23.213 1.258 1.00 54.42 H new ATOM 0 HE1 HIS A 7 8.250 19.486 3.207 1.00 74.14 H new ATOM 0 HE2 HIS A 7 9.869 21.002 1.976 1.00 30.12 H new ATOM 103 N HIS A 8 3.343 24.295 -0.410 1.00 13.13 N ATOM 104 CA HIS A 8 2.017 24.910 -0.557 1.00 33.11 C ATOM 105 C HIS A 8 1.248 24.086 -1.599 1.00 21.23 C ATOM 106 O HIS A 8 1.818 23.757 -2.655 1.00 23.34 O ATOM 107 CB HIS A 8 2.114 26.415 -0.977 1.00 32.24 C ATOM 108 CG HIS A 8 2.620 26.668 -2.382 1.00 10.22 C ATOM 109 ND1 HIS A 8 1.866 27.297 -3.348 1.00 42.21 N ATOM 110 CD2 HIS A 8 3.789 26.347 -2.986 1.00 55.52 C ATOM 111 CE1 HIS A 8 2.544 27.348 -4.474 1.00 64.43 C ATOM 112 NE2 HIS A 8 3.712 26.780 -4.281 1.00 72.41 N ATOM 0 H HIS A 8 3.603 23.710 -1.204 1.00 13.13 H new ATOM 0 HA HIS A 8 1.494 24.903 0.399 1.00 33.11 H new ATOM 0 HB2 HIS A 8 1.127 26.866 -0.878 1.00 32.24 H new ATOM 0 HB3 HIS A 8 2.771 26.929 -0.275 1.00 32.24 H new ATOM 0 HD2 HIS A 8 4.627 25.842 -2.529 1.00 55.52 H new ATOM 0 HE1 HIS A 8 2.199 27.783 -5.400 1.00 64.43 H new ATOM 0 HE2 HIS A 8 4.444 26.678 -4.984 1.00 72.41 H new ATOM 121 N HIS A 9 -0.015 23.727 -1.286 1.00 0.44 N ATOM 122 CA HIS A 9 -0.868 22.895 -2.159 1.00 10.42 C ATOM 123 C HIS A 9 -0.205 21.516 -2.378 1.00 54.23 C ATOM 124 O HIS A 9 0.468 21.283 -3.397 1.00 62.45 O ATOM 125 CB HIS A 9 -1.170 23.642 -3.499 1.00 74.13 C ATOM 126 CG HIS A 9 -1.900 22.850 -4.554 1.00 62.12 C ATOM 127 ND1 HIS A 9 -1.249 22.208 -5.589 1.00 75.04 N ATOM 128 CD2 HIS A 9 -3.214 22.628 -4.754 1.00 22.35 C ATOM 129 CE1 HIS A 9 -2.133 21.637 -6.373 1.00 40.41 C ATOM 130 NE2 HIS A 9 -3.327 21.876 -5.889 1.00 14.25 N ATOM 0 H HIS A 9 -0.472 24.007 -0.418 1.00 0.44 H new ATOM 0 HA HIS A 9 -1.830 22.719 -1.677 1.00 10.42 H new ATOM 0 HB2 HIS A 9 -1.758 24.531 -3.270 1.00 74.13 H new ATOM 0 HB3 HIS A 9 -0.225 23.984 -3.921 1.00 74.13 H new ATOM 0 HD2 HIS A 9 -4.025 22.979 -4.134 1.00 22.35 H new ATOM 0 HE1 HIS A 9 -1.914 21.068 -7.264 1.00 40.41 H new ATOM 0 HE2 HIS A 9 -4.204 21.551 -6.296 1.00 14.25 H new ATOM 139 N HIS A 10 -0.334 20.637 -1.372 1.00 31.21 N ATOM 140 CA HIS A 10 0.240 19.280 -1.412 1.00 0.00 C ATOM 141 C HIS A 10 -0.496 18.440 -2.463 1.00 63.13 C ATOM 142 O HIS A 10 -1.719 18.559 -2.609 1.00 74.44 O ATOM 143 CB HIS A 10 0.138 18.582 -0.031 1.00 55.21 C ATOM 144 CG HIS A 10 0.786 19.322 1.112 1.00 73.21 C ATOM 145 ND1 HIS A 10 0.224 19.410 2.370 1.00 2.45 N ATOM 146 CD2 HIS A 10 1.952 20.005 1.185 1.00 42.31 C ATOM 147 CE1 HIS A 10 1.016 20.106 3.160 1.00 50.14 C ATOM 148 NE2 HIS A 10 2.068 20.475 2.464 1.00 62.12 N ATOM 0 H HIS A 10 -0.837 20.845 -0.510 1.00 31.21 H new ATOM 0 HA HIS A 10 1.294 19.367 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.915 18.432 0.205 1.00 55.21 H new ATOM 0 HB3 HIS A 10 0.592 17.594 -0.107 1.00 55.21 H new ATOM 0 HD2 HIS A 10 2.660 20.152 0.382 1.00 42.31 H new ATOM 0 HE1 HIS A 10 0.833 20.334 4.200 1.00 50.14 H new ATOM 0 HE2 HIS A 10 2.849 21.026 2.822 1.00 62.12 H new ATOM 157 N SER A 11 0.257 17.596 -3.180 1.00 42.21 N ATOM 158 CA SER A 11 -0.292 16.676 -4.188 1.00 73.05 C ATOM 159 C SER A 11 -1.218 15.646 -3.527 1.00 13.03 C ATOM 160 O SER A 11 -2.254 15.273 -4.081 1.00 55.41 O ATOM 161 CB SER A 11 0.863 15.982 -4.931 1.00 54.10 C ATOM 162 OG SER A 11 1.762 16.933 -5.475 1.00 41.00 O ATOM 0 H SER A 11 1.270 17.531 -3.078 1.00 42.21 H new ATOM 0 HA SER A 11 -0.884 17.241 -4.908 1.00 73.05 H new ATOM 0 HB2 SER A 11 1.396 15.323 -4.246 1.00 54.10 H new ATOM 0 HB3 SER A 11 0.463 15.357 -5.729 1.00 54.10 H new ATOM 0 HG SER A 11 2.488 16.468 -5.941 1.00 41.00 H new ATOM 168 N SER A 12 -0.814 15.196 -2.332 1.00 34.42 N ATOM 169 CA SER A 12 -1.645 14.367 -1.466 1.00 73.25 C ATOM 170 C SER A 12 -2.717 15.266 -0.813 1.00 44.32 C ATOM 171 O SER A 12 -2.458 15.923 0.198 1.00 40.20 O ATOM 172 CB SER A 12 -0.762 13.653 -0.417 1.00 35.23 C ATOM 173 OG SER A 12 0.271 12.897 -1.034 1.00 20.12 O ATOM 0 H SER A 12 0.106 15.401 -1.941 1.00 34.42 H new ATOM 0 HA SER A 12 -2.149 13.589 -2.039 1.00 73.25 H new ATOM 0 HB2 SER A 12 -0.323 14.391 0.254 1.00 35.23 H new ATOM 0 HB3 SER A 12 -1.380 12.995 0.194 1.00 35.23 H new ATOM 0 HG SER A 12 0.985 12.727 -0.384 1.00 20.12 H new ATOM 179 N GLY A 13 -3.891 15.346 -1.465 1.00 44.21 N ATOM 180 CA GLY A 13 -4.982 16.225 -1.030 1.00 44.32 C ATOM 181 C GLY A 13 -5.669 15.741 0.237 1.00 23.15 C ATOM 182 O GLY A 13 -5.789 14.533 0.458 1.00 23.23 O ATOM 0 H GLY A 13 -4.106 14.805 -2.303 1.00 44.21 H new ATOM 0 HA2 GLY A 13 -4.588 17.227 -0.862 1.00 44.32 H new ATOM 0 HA3 GLY A 13 -5.719 16.302 -1.829 1.00 44.32 H new ATOM 186 N ILE A 14 -6.143 16.692 1.066 1.00 5.33 N ATOM 187 CA ILE A 14 -6.764 16.388 2.400 1.00 51.42 C ATOM 188 C ILE A 14 -7.962 17.338 2.635 1.00 4.15 C ATOM 189 O ILE A 14 -7.800 18.561 2.662 1.00 73.23 O ATOM 190 CB ILE A 14 -5.745 16.377 3.670 1.00 50.43 C ATOM 191 CG1 ILE A 14 -5.563 17.761 4.441 1.00 70.44 C ATOM 192 CG2 ILE A 14 -4.370 15.788 3.274 1.00 21.31 C ATOM 193 CD1 ILE A 14 -4.696 17.677 5.687 1.00 30.32 C ATOM 0 H ILE A 14 -6.114 17.688 0.846 1.00 5.33 H new ATOM 0 HA ILE A 14 -7.102 15.353 2.344 1.00 51.42 H new ATOM 0 HB ILE A 14 -6.239 15.729 4.394 1.00 50.43 H new ATOM 0 HG12 ILE A 14 -5.126 18.489 3.757 1.00 70.44 H new ATOM 0 HG13 ILE A 14 -6.546 18.138 4.722 1.00 70.44 H new ATOM 0 HG21 ILE A 14 -3.709 15.793 4.141 1.00 21.31 H new ATOM 0 HG22 ILE A 14 -4.500 14.765 2.922 1.00 21.31 H new ATOM 0 HG23 ILE A 14 -3.931 16.391 2.480 1.00 21.31 H new ATOM 0 HD11 ILE A 14 -4.626 18.662 6.148 1.00 30.32 H new ATOM 0 HD12 ILE A 14 -5.141 16.976 6.393 1.00 30.32 H new ATOM 0 HD13 ILE A 14 -3.699 17.332 5.414 1.00 30.32 H new ATOM 205 N GLU A 15 -9.175 16.753 2.713 1.00 21.23 N ATOM 206 CA GLU A 15 -10.459 17.468 2.908 1.00 73.32 C ATOM 207 C GLU A 15 -11.483 16.504 3.546 1.00 2.04 C ATOM 208 O GLU A 15 -11.209 15.309 3.705 1.00 1.33 O ATOM 209 CB GLU A 15 -11.029 18.019 1.555 1.00 31.42 C ATOM 210 CG GLU A 15 -10.278 19.230 0.958 1.00 54.54 C ATOM 211 CD GLU A 15 -10.772 19.623 -0.435 1.00 44.44 C ATOM 212 OE1 GLU A 15 -11.368 20.698 -0.607 1.00 5.55 O ATOM 213 OE2 GLU A 15 -10.580 18.832 -1.365 1.00 34.20 O ATOM 0 H GLU A 15 -9.295 15.743 2.640 1.00 21.23 H new ATOM 0 HA GLU A 15 -10.278 18.320 3.564 1.00 73.32 H new ATOM 0 HB2 GLU A 15 -11.021 17.212 0.822 1.00 31.42 H new ATOM 0 HB3 GLU A 15 -12.071 18.300 1.708 1.00 31.42 H new ATOM 0 HG2 GLU A 15 -10.387 20.083 1.628 1.00 54.54 H new ATOM 0 HG3 GLU A 15 -9.214 18.999 0.907 1.00 54.54 H new ATOM 220 N GLY A 16 -12.667 17.035 3.887 1.00 51.22 N ATOM 221 CA GLY A 16 -13.757 16.246 4.475 1.00 31.13 C ATOM 222 C GLY A 16 -15.090 16.506 3.797 1.00 30.41 C ATOM 223 O GLY A 16 -16.136 16.540 4.458 1.00 42.41 O ATOM 0 H GLY A 16 -12.894 18.022 3.763 1.00 51.22 H new ATOM 0 HA2 GLY A 16 -13.515 15.186 4.401 1.00 31.13 H new ATOM 0 HA3 GLY A 16 -13.840 16.481 5.536 1.00 31.13 H new ATOM 227 N ARG A 17 -15.047 16.680 2.462 1.00 72.42 N ATOM 228 CA ARG A 17 -16.248 16.884 1.623 1.00 22.24 C ATOM 229 C ARG A 17 -16.824 15.515 1.153 1.00 74.33 C ATOM 230 O ARG A 17 -16.617 14.491 1.824 1.00 60.13 O ATOM 231 CB ARG A 17 -15.901 17.817 0.424 1.00 3.20 C ATOM 232 CG ARG A 17 -15.598 19.287 0.807 1.00 4.23 C ATOM 233 CD ARG A 17 -15.388 20.186 -0.429 1.00 52.31 C ATOM 234 NE ARG A 17 -14.182 19.830 -1.201 1.00 23.40 N ATOM 235 CZ ARG A 17 -14.160 19.319 -2.450 1.00 61.33 C ATOM 236 NH1 ARG A 17 -15.289 19.088 -3.127 1.00 23.12 N ATOM 237 NH2 ARG A 17 -12.994 19.073 -3.027 1.00 32.55 N ATOM 0 H ARG A 17 -14.176 16.683 1.931 1.00 72.42 H new ATOM 0 HA ARG A 17 -17.025 17.372 2.212 1.00 22.24 H new ATOM 0 HB2 ARG A 17 -15.036 17.407 -0.098 1.00 3.20 H new ATOM 0 HB3 ARG A 17 -16.733 17.804 -0.280 1.00 3.20 H new ATOM 0 HG2 ARG A 17 -16.421 19.681 1.404 1.00 4.23 H new ATOM 0 HG3 ARG A 17 -14.706 19.320 1.433 1.00 4.23 H new ATOM 0 HD2 ARG A 17 -16.262 20.114 -1.077 1.00 52.31 H new ATOM 0 HD3 ARG A 17 -15.314 21.225 -0.108 1.00 52.31 H new ATOM 0 HE ARG A 17 -13.281 19.984 -0.749 1.00 23.40 H new ATOM 0 HH11 ARG A 17 -16.191 19.298 -2.701 1.00 23.12 H new ATOM 0 HH12 ARG A 17 -15.248 18.701 -4.070 1.00 23.12 H new ATOM 0 HH21 ARG A 17 -12.126 19.270 -2.528 1.00 32.55 H new ATOM 0 HH22 ARG A 17 -12.963 18.687 -3.971 1.00 32.55 H new ATOM 251 N GLY A 18 -17.549 15.504 0.003 1.00 64.25 N ATOM 252 CA GLY A 18 -18.319 14.334 -0.446 1.00 63.33 C ATOM 253 C GLY A 18 -17.506 13.271 -1.188 1.00 51.43 C ATOM 254 O GLY A 18 -17.844 12.904 -2.322 1.00 64.32 O ATOM 0 H GLY A 18 -17.610 16.303 -0.628 1.00 64.25 H new ATOM 0 HA2 GLY A 18 -18.787 13.871 0.423 1.00 63.33 H new ATOM 0 HA3 GLY A 18 -19.123 14.675 -1.098 1.00 63.33 H new ATOM 258 N ARG A 19 -16.432 12.783 -0.553 1.00 2.21 N ATOM 259 CA ARG A 19 -15.727 11.559 -0.992 1.00 51.12 C ATOM 260 C ARG A 19 -16.577 10.343 -0.603 1.00 0.32 C ATOM 261 O ARG A 19 -16.825 9.450 -1.408 1.00 0.52 O ATOM 262 CB ARG A 19 -14.339 11.471 -0.317 1.00 51.31 C ATOM 263 CG ARG A 19 -13.312 12.505 -0.817 1.00 10.43 C ATOM 264 CD ARG A 19 -12.859 12.243 -2.259 1.00 21.51 C ATOM 265 NE ARG A 19 -11.766 13.133 -2.658 1.00 22.23 N ATOM 266 CZ ARG A 19 -10.596 12.748 -3.193 1.00 14.13 C ATOM 267 NH1 ARG A 19 -10.314 11.462 -3.425 1.00 3.33 N ATOM 268 NH2 ARG A 19 -9.713 13.660 -3.511 1.00 12.21 N ATOM 0 H ARG A 19 -16.025 13.218 0.275 1.00 2.21 H new ATOM 0 HA ARG A 19 -15.582 11.583 -2.072 1.00 51.12 H new ATOM 0 HB2 ARG A 19 -14.465 11.595 0.759 1.00 51.31 H new ATOM 0 HB3 ARG A 19 -13.935 10.471 -0.477 1.00 51.31 H new ATOM 0 HG2 ARG A 19 -13.747 13.502 -0.753 1.00 10.43 H new ATOM 0 HG3 ARG A 19 -12.442 12.494 -0.160 1.00 10.43 H new ATOM 0 HD2 ARG A 19 -12.537 11.206 -2.356 1.00 21.51 H new ATOM 0 HD3 ARG A 19 -13.703 12.379 -2.935 1.00 21.51 H new ATOM 0 HE ARG A 19 -11.906 14.133 -2.517 1.00 22.23 H new ATOM 0 HH11 ARG A 19 -10.997 10.740 -3.194 1.00 3.33 H new ATOM 0 HH12 ARG A 19 -9.416 11.202 -3.833 1.00 3.33 H new ATOM 0 HH21 ARG A 19 -9.918 14.646 -3.352 1.00 12.21 H new ATOM 0 HH22 ARG A 19 -8.819 13.385 -3.918 1.00 12.21 H new ATOM 282 N MET A 20 -16.967 10.325 0.682 1.00 32.34 N ATOM 283 CA MET A 20 -18.007 9.439 1.222 1.00 60.02 C ATOM 284 C MET A 20 -19.169 10.353 1.639 1.00 31.12 C ATOM 285 O MET A 20 -20.238 10.358 1.024 1.00 14.34 O ATOM 286 CB MET A 20 -17.474 8.625 2.451 1.00 24.21 C ATOM 287 CG MET A 20 -16.234 7.761 2.170 1.00 41.51 C ATOM 288 SD MET A 20 -16.524 6.494 0.919 1.00 24.01 S ATOM 289 CE MET A 20 -14.933 5.666 0.892 1.00 23.33 C ATOM 0 H MET A 20 -16.559 10.939 1.387 1.00 32.34 H new ATOM 0 HA MET A 20 -18.322 8.706 0.479 1.00 60.02 H new ATOM 0 HB2 MET A 20 -17.238 9.322 3.255 1.00 24.21 H new ATOM 0 HB3 MET A 20 -18.273 7.979 2.814 1.00 24.21 H new ATOM 0 HG2 MET A 20 -15.416 8.404 1.845 1.00 41.51 H new ATOM 0 HG3 MET A 20 -15.914 7.283 3.096 1.00 41.51 H new ATOM 0 HE1 MET A 20 -15.025 4.718 0.362 1.00 23.33 H new ATOM 0 HE2 MET A 20 -14.203 6.297 0.384 1.00 23.33 H new ATOM 0 HE3 MET A 20 -14.603 5.479 1.914 1.00 23.33 H new ATOM 299 N LYS A 21 -18.872 11.177 2.662 1.00 34.51 N ATOM 300 CA LYS A 21 -19.767 12.206 3.233 1.00 44.31 C ATOM 301 C LYS A 21 -19.023 12.876 4.405 1.00 34.33 C ATOM 302 O LYS A 21 -19.146 14.076 4.649 1.00 12.13 O ATOM 303 CB LYS A 21 -21.135 11.602 3.683 1.00 22.32 C ATOM 304 CG LYS A 21 -21.066 10.515 4.789 1.00 14.24 C ATOM 305 CD LYS A 21 -22.391 9.737 4.955 1.00 13.22 C ATOM 306 CE LYS A 21 -23.613 10.648 5.176 1.00 15.32 C ATOM 307 NZ LYS A 21 -23.477 11.502 6.385 1.00 71.31 N ATOM 0 H LYS A 21 -17.968 11.144 3.133 1.00 34.51 H new ATOM 0 HA LYS A 21 -20.010 12.949 2.474 1.00 44.31 H new ATOM 0 HB2 LYS A 21 -21.769 12.414 4.038 1.00 22.32 H new ATOM 0 HB3 LYS A 21 -21.626 11.173 2.809 1.00 22.32 H new ATOM 0 HG2 LYS A 21 -20.266 9.813 4.552 1.00 14.24 H new ATOM 0 HG3 LYS A 21 -20.806 10.985 5.737 1.00 14.24 H new ATOM 0 HD2 LYS A 21 -22.558 9.126 4.068 1.00 13.22 H new ATOM 0 HD3 LYS A 21 -22.299 9.054 5.799 1.00 13.22 H new ATOM 0 HE2 LYS A 21 -23.752 11.283 4.301 1.00 15.32 H new ATOM 0 HE3 LYS A 21 -24.508 10.033 5.269 1.00 15.32 H new ATOM 0 HZ1 LYS A 21 -24.325 12.095 6.488 1.00 71.31 H new ATOM 0 HZ2 LYS A 21 -23.372 10.899 7.226 1.00 71.31 H new ATOM 0 HZ3 LYS A 21 -22.639 12.110 6.288 1.00 71.31 H new ATOM 321 N LYS A 22 -18.260 12.042 5.129 1.00 51.33 N ATOM 322 CA LYS A 22 -17.240 12.446 6.112 1.00 44.03 C ATOM 323 C LYS A 22 -16.057 11.473 5.982 1.00 11.40 C ATOM 324 O LYS A 22 -16.045 10.659 5.038 1.00 55.43 O ATOM 325 CB LYS A 22 -17.812 12.405 7.551 1.00 42.23 C ATOM 326 CG LYS A 22 -18.400 11.031 7.975 1.00 43.34 C ATOM 327 CD LYS A 22 -18.526 10.876 9.507 1.00 53.40 C ATOM 328 CE LYS A 22 -19.324 12.005 10.168 1.00 2.32 C ATOM 329 NZ LYS A 22 -20.733 12.047 9.708 1.00 61.10 N ATOM 0 H LYS A 22 -18.339 11.029 5.043 1.00 51.33 H new ATOM 0 HA LYS A 22 -16.920 13.470 5.918 1.00 44.03 H new ATOM 0 HB2 LYS A 22 -17.021 12.678 8.250 1.00 42.23 H new ATOM 0 HB3 LYS A 22 -18.591 13.162 7.640 1.00 42.23 H new ATOM 0 HG2 LYS A 22 -19.383 10.907 7.521 1.00 43.34 H new ATOM 0 HG3 LYS A 22 -17.766 10.235 7.586 1.00 43.34 H new ATOM 0 HD2 LYS A 22 -19.005 9.923 9.730 1.00 53.40 H new ATOM 0 HD3 LYS A 22 -17.528 10.841 9.945 1.00 53.40 H new ATOM 0 HE2 LYS A 22 -19.302 11.876 11.250 1.00 2.32 H new ATOM 0 HE3 LYS A 22 -18.845 12.960 9.951 1.00 2.32 H new ATOM 0 HZ1 LYS A 22 -21.230 12.827 10.184 1.00 61.10 H new ATOM 0 HZ2 LYS A 22 -20.758 12.197 8.679 1.00 61.10 H new ATOM 0 HZ3 LYS A 22 -21.200 11.147 9.938 1.00 61.10 H new ATOM 343 N LYS A 23 -15.076 11.564 6.917 1.00 33.22 N ATOM 344 CA LYS A 23 -13.916 10.634 7.005 1.00 63.02 C ATOM 345 C LYS A 23 -12.951 11.040 8.139 1.00 0.13 C ATOM 346 O LYS A 23 -13.220 11.964 8.918 1.00 51.34 O ATOM 347 CB LYS A 23 -13.113 10.592 5.671 1.00 42.14 C ATOM 348 CG LYS A 23 -12.560 11.964 5.223 1.00 14.43 C ATOM 349 CD LYS A 23 -11.696 11.851 3.962 1.00 24.31 C ATOM 350 CE LYS A 23 -12.442 11.199 2.790 1.00 64.43 C ATOM 351 NZ LYS A 23 -11.547 10.982 1.621 1.00 70.01 N ATOM 0 H LYS A 23 -15.066 12.288 7.635 1.00 33.22 H new ATOM 0 HA LYS A 23 -14.331 9.648 7.212 1.00 63.02 H new ATOM 0 HB2 LYS A 23 -12.282 9.896 5.782 1.00 42.14 H new ATOM 0 HB3 LYS A 23 -13.756 10.197 4.885 1.00 42.14 H new ATOM 0 HG2 LYS A 23 -13.390 12.645 5.034 1.00 14.43 H new ATOM 0 HG3 LYS A 23 -11.969 12.398 6.030 1.00 14.43 H new ATOM 0 HD2 LYS A 23 -11.361 12.845 3.666 1.00 24.31 H new ATOM 0 HD3 LYS A 23 -10.804 11.268 4.189 1.00 24.31 H new ATOM 0 HE2 LYS A 23 -12.860 10.245 3.110 1.00 64.43 H new ATOM 0 HE3 LYS A 23 -13.280 11.831 2.495 1.00 64.43 H new ATOM 0 HZ1 LYS A 23 -12.118 10.733 0.788 1.00 70.01 H new ATOM 0 HZ2 LYS A 23 -11.012 11.853 1.427 1.00 70.01 H new ATOM 0 HZ3 LYS A 23 -10.884 10.208 1.830 1.00 70.01 H new ATOM 365 N GLN A 24 -11.827 10.302 8.205 1.00 61.24 N ATOM 366 CA GLN A 24 -10.643 10.646 8.995 1.00 72.42 C ATOM 367 C GLN A 24 -9.681 11.433 8.076 1.00 54.12 C ATOM 368 O GLN A 24 -9.281 10.937 7.022 1.00 73.34 O ATOM 369 CB GLN A 24 -9.967 9.354 9.588 1.00 11.43 C ATOM 370 CG GLN A 24 -9.414 8.300 8.577 1.00 35.15 C ATOM 371 CD GLN A 24 -10.435 7.262 8.060 1.00 23.30 C ATOM 372 OE1 GLN A 24 -11.636 7.517 7.955 1.00 12.13 O ATOM 373 NE2 GLN A 24 -9.948 6.077 7.718 1.00 35.13 N ATOM 0 H GLN A 24 -11.721 9.426 7.693 1.00 61.24 H new ATOM 0 HA GLN A 24 -10.918 11.263 9.850 1.00 72.42 H new ATOM 0 HB2 GLN A 24 -9.144 9.669 10.229 1.00 11.43 H new ATOM 0 HB3 GLN A 24 -10.696 8.856 10.227 1.00 11.43 H new ATOM 0 HG2 GLN A 24 -8.998 8.830 7.720 1.00 35.15 H new ATOM 0 HG3 GLN A 24 -8.591 7.766 9.052 1.00 35.15 H new ATOM 0 HE21 GLN A 24 -8.950 5.889 7.814 1.00 35.13 H new ATOM 0 HE22 GLN A 24 -10.571 5.354 7.359 1.00 35.13 H new ATOM 382 N ILE A 25 -9.375 12.692 8.437 1.00 1.12 N ATOM 383 CA ILE A 25 -8.531 13.579 7.598 1.00 14.20 C ATOM 384 C ILE A 25 -7.046 13.317 7.909 1.00 32.52 C ATOM 385 O ILE A 25 -6.250 13.106 6.990 1.00 74.35 O ATOM 386 CB ILE A 25 -8.887 15.139 7.758 1.00 3.12 C ATOM 387 CG1 ILE A 25 -10.223 15.584 7.017 1.00 23.32 C ATOM 388 CG2 ILE A 25 -7.708 16.045 7.279 1.00 4.33 C ATOM 389 CD1 ILE A 25 -11.490 14.805 7.333 1.00 25.13 C ATOM 0 H ILE A 25 -9.697 13.123 9.303 1.00 1.12 H new ATOM 0 HA ILE A 25 -8.741 13.336 6.556 1.00 14.20 H new ATOM 0 HB ILE A 25 -9.054 15.274 8.827 1.00 3.12 H new ATOM 0 HG12 ILE A 25 -10.405 16.633 7.251 1.00 23.32 H new ATOM 0 HG13 ILE A 25 -10.049 15.523 5.943 1.00 23.32 H new ATOM 0 HG21 ILE A 25 -7.982 17.093 7.401 1.00 4.33 H new ATOM 0 HG22 ILE A 25 -6.820 15.831 7.873 1.00 4.33 H new ATOM 0 HG23 ILE A 25 -7.499 15.844 6.228 1.00 4.33 H new ATOM 0 HD11 ILE A 25 -12.321 15.215 6.759 1.00 25.13 H new ATOM 0 HD12 ILE A 25 -11.348 13.757 7.069 1.00 25.13 H new ATOM 0 HD13 ILE A 25 -11.710 14.884 8.398 1.00 25.13 H new ATOM 401 N GLU A 26 -6.696 13.319 9.217 1.00 62.22 N ATOM 402 CA GLU A 26 -5.292 13.214 9.677 1.00 5.13 C ATOM 403 C GLU A 26 -4.680 11.844 9.346 1.00 53.52 C ATOM 404 O GLU A 26 -3.526 11.768 8.928 1.00 71.11 O ATOM 405 CB GLU A 26 -5.179 13.500 11.201 1.00 20.52 C ATOM 406 CG GLU A 26 -5.642 14.908 11.617 1.00 54.22 C ATOM 407 CD GLU A 26 -5.438 15.174 13.119 1.00 22.21 C ATOM 408 OE1 GLU A 26 -6.241 14.696 13.927 1.00 43.44 O ATOM 409 OE2 GLU A 26 -4.463 15.840 13.503 1.00 63.11 O ATOM 0 H GLU A 26 -7.373 13.393 9.977 1.00 62.22 H new ATOM 0 HA GLU A 26 -4.725 13.972 9.137 1.00 5.13 H new ATOM 0 HB2 GLU A 26 -5.770 12.761 11.742 1.00 20.52 H new ATOM 0 HB3 GLU A 26 -4.142 13.366 11.508 1.00 20.52 H new ATOM 0 HG2 GLU A 26 -5.093 15.653 11.041 1.00 54.22 H new ATOM 0 HG3 GLU A 26 -6.697 15.028 11.370 1.00 54.22 H new ATOM 416 N PHE A 27 -5.469 10.768 9.514 1.00 24.24 N ATOM 417 CA PHE A 27 -4.978 9.393 9.312 1.00 4.15 C ATOM 418 C PHE A 27 -4.904 9.064 7.821 1.00 64.14 C ATOM 419 O PHE A 27 -3.995 8.347 7.389 1.00 32.21 O ATOM 420 CB PHE A 27 -5.855 8.352 10.058 1.00 74.42 C ATOM 421 CG PHE A 27 -5.288 6.929 10.023 1.00 65.24 C ATOM 422 CD1 PHE A 27 -4.238 6.560 10.868 1.00 64.02 C ATOM 423 CD2 PHE A 27 -5.784 5.964 9.140 1.00 33.44 C ATOM 424 CE1 PHE A 27 -3.708 5.287 10.834 1.00 41.23 C ATOM 425 CE2 PHE A 27 -5.249 4.689 9.114 1.00 10.12 C ATOM 426 CZ PHE A 27 -4.215 4.354 9.961 1.00 41.43 C ATOM 0 H PHE A 27 -6.450 10.824 9.789 1.00 24.24 H new ATOM 0 HA PHE A 27 -3.975 9.338 9.734 1.00 4.15 H new ATOM 0 HB2 PHE A 27 -5.968 8.663 11.097 1.00 74.42 H new ATOM 0 HB3 PHE A 27 -6.852 8.347 9.617 1.00 74.42 H new ATOM 0 HD1 PHE A 27 -3.834 7.284 11.560 1.00 64.02 H new ATOM 0 HD2 PHE A 27 -6.593 6.217 8.471 1.00 33.44 H new ATOM 0 HE1 PHE A 27 -2.894 5.023 11.493 1.00 41.23 H new ATOM 0 HE2 PHE A 27 -5.643 3.954 8.428 1.00 10.12 H new ATOM 0 HZ PHE A 27 -3.802 3.356 9.939 1.00 41.43 H new ATOM 436 N GLU A 28 -5.877 9.584 7.043 1.00 41.22 N ATOM 437 CA GLU A 28 -5.858 9.450 5.589 1.00 52.23 C ATOM 438 C GLU A 28 -4.659 10.223 5.010 1.00 24.04 C ATOM 439 O GLU A 28 -3.972 9.722 4.130 1.00 32.15 O ATOM 440 CB GLU A 28 -7.187 9.917 4.960 1.00 72.52 C ATOM 441 CG GLU A 28 -7.232 9.751 3.436 1.00 13.10 C ATOM 442 CD GLU A 28 -8.589 10.100 2.838 1.00 2.13 C ATOM 443 OE1 GLU A 28 -8.792 11.276 2.462 1.00 45.40 O ATOM 444 OE2 GLU A 28 -9.461 9.203 2.733 1.00 5.21 O ATOM 0 H GLU A 28 -6.680 10.098 7.406 1.00 41.22 H new ATOM 0 HA GLU A 28 -5.745 8.395 5.340 1.00 52.23 H new ATOM 0 HB2 GLU A 28 -8.008 9.354 5.404 1.00 72.52 H new ATOM 0 HB3 GLU A 28 -7.349 10.966 5.209 1.00 72.52 H new ATOM 0 HG2 GLU A 28 -6.469 10.385 2.985 1.00 13.10 H new ATOM 0 HG3 GLU A 28 -6.983 8.721 3.181 1.00 13.10 H new ATOM 451 N ASN A 29 -4.377 11.417 5.579 1.00 45.53 N ATOM 452 CA ASN A 29 -3.205 12.234 5.188 1.00 24.40 C ATOM 453 C ASN A 29 -1.917 11.470 5.498 1.00 52.11 C ATOM 454 O ASN A 29 -1.027 11.378 4.652 1.00 51.31 O ATOM 455 CB ASN A 29 -3.183 13.624 5.898 1.00 42.25 C ATOM 456 CG ASN A 29 -1.937 14.465 5.556 1.00 5.14 C ATOM 457 OD1 ASN A 29 -1.400 14.399 4.446 1.00 22.15 O ATOM 458 ND2 ASN A 29 -1.477 15.261 6.501 1.00 71.12 N ATOM 0 H ASN A 29 -4.947 11.837 6.313 1.00 45.53 H new ATOM 0 HA ASN A 29 -3.281 12.421 4.117 1.00 24.40 H new ATOM 0 HB2 ASN A 29 -4.077 14.181 5.618 1.00 42.25 H new ATOM 0 HB3 ASN A 29 -3.226 13.474 6.977 1.00 42.25 H new ATOM 0 HD21 ASN A 29 -0.658 15.842 6.324 1.00 71.12 H new ATOM 0 HD22 ASN A 29 -1.940 15.296 7.409 1.00 71.12 H new ATOM 465 N GLU A 30 -1.882 10.862 6.691 1.00 54.40 N ATOM 466 CA GLU A 30 -0.702 10.157 7.203 1.00 32.32 C ATOM 467 C GLU A 30 -0.375 8.966 6.285 1.00 31.23 C ATOM 468 O GLU A 30 0.747 8.830 5.817 1.00 52.54 O ATOM 469 CB GLU A 30 -0.945 9.707 8.676 1.00 33.23 C ATOM 470 CG GLU A 30 0.274 9.087 9.385 1.00 53.31 C ATOM 471 CD GLU A 30 1.458 10.056 9.529 1.00 73.14 C ATOM 472 OE1 GLU A 30 1.453 10.889 10.457 1.00 24.10 O ATOM 473 OE2 GLU A 30 2.395 9.990 8.716 1.00 33.01 O ATOM 0 H GLU A 30 -2.676 10.846 7.331 1.00 54.40 H new ATOM 0 HA GLU A 30 0.158 10.826 7.204 1.00 32.32 H new ATOM 0 HB2 GLU A 30 -1.279 10.570 9.252 1.00 33.23 H new ATOM 0 HB3 GLU A 30 -1.759 8.982 8.687 1.00 33.23 H new ATOM 0 HG2 GLU A 30 -0.027 8.744 10.375 1.00 53.31 H new ATOM 0 HG3 GLU A 30 0.600 8.208 8.829 1.00 53.31 H new ATOM 480 N LEU A 31 -1.416 8.197 5.943 1.00 11.14 N ATOM 481 CA LEU A 31 -1.277 6.951 5.124 1.00 74.10 C ATOM 482 C LEU A 31 -0.980 7.285 3.648 1.00 11.51 C ATOM 483 O LEU A 31 -0.133 6.632 3.021 1.00 71.24 O ATOM 484 CB LEU A 31 -2.539 6.008 5.261 1.00 11.35 C ATOM 485 CG LEU A 31 -2.516 4.627 4.454 1.00 60.14 C ATOM 486 CD1 LEU A 31 -3.315 3.497 5.165 1.00 20.14 C ATOM 487 CD2 LEU A 31 -3.046 4.768 2.991 1.00 74.14 C ATOM 0 H LEU A 31 -2.377 8.404 6.215 1.00 11.14 H new ATOM 0 HA LEU A 31 -0.424 6.399 5.519 1.00 74.10 H new ATOM 0 HB2 LEU A 31 -2.675 5.778 6.318 1.00 11.35 H new ATOM 0 HB3 LEU A 31 -3.416 6.570 4.941 1.00 11.35 H new ATOM 0 HG LEU A 31 -1.462 4.351 4.424 1.00 60.14 H new ATOM 0 HD11 LEU A 31 -3.263 2.585 4.570 1.00 20.14 H new ATOM 0 HD12 LEU A 31 -2.886 3.313 6.150 1.00 20.14 H new ATOM 0 HD13 LEU A 31 -4.356 3.801 5.273 1.00 20.14 H new ATOM 0 HD21 LEU A 31 -3.006 3.798 2.494 1.00 74.14 H new ATOM 0 HD22 LEU A 31 -4.076 5.124 3.010 1.00 74.14 H new ATOM 0 HD23 LEU A 31 -2.426 5.480 2.447 1.00 74.14 H new ATOM 499 N ARG A 32 -1.645 8.326 3.104 1.00 73.54 N ATOM 500 CA ARG A 32 -1.608 8.597 1.645 1.00 5.42 C ATOM 501 C ARG A 32 -0.306 9.311 1.259 1.00 40.33 C ATOM 502 O ARG A 32 0.194 9.140 0.137 1.00 32.41 O ATOM 503 CB ARG A 32 -2.854 9.387 1.131 1.00 64.14 C ATOM 504 CG ARG A 32 -4.217 8.617 1.213 1.00 24.53 C ATOM 505 CD ARG A 32 -5.215 9.055 0.126 1.00 74.22 C ATOM 506 NE ARG A 32 -4.748 8.666 -1.211 1.00 60.14 N ATOM 507 CZ ARG A 32 -5.261 9.072 -2.382 1.00 31.05 C ATOM 508 NH1 ARG A 32 -6.287 9.928 -2.447 1.00 60.31 N ATOM 509 NH2 ARG A 32 -4.753 8.592 -3.504 1.00 75.32 N ATOM 0 H ARG A 32 -2.207 8.986 3.641 1.00 73.54 H new ATOM 0 HA ARG A 32 -1.640 7.627 1.150 1.00 5.42 H new ATOM 0 HB2 ARG A 32 -2.941 10.309 1.706 1.00 64.14 H new ATOM 0 HB3 ARG A 32 -2.679 9.673 0.094 1.00 64.14 H new ATOM 0 HG2 ARG A 32 -4.031 7.547 1.119 1.00 24.53 H new ATOM 0 HG3 ARG A 32 -4.662 8.778 2.195 1.00 24.53 H new ATOM 0 HD2 ARG A 32 -6.189 8.604 0.319 1.00 74.22 H new ATOM 0 HD3 ARG A 32 -5.350 10.136 0.167 1.00 74.22 H new ATOM 0 HE ARG A 32 -3.956 8.024 -1.253 1.00 60.14 H new ATOM 0 HH11 ARG A 32 -6.703 10.292 -1.590 1.00 60.31 H new ATOM 0 HH12 ARG A 32 -6.654 10.217 -3.354 1.00 60.31 H new ATOM 0 HH21 ARG A 32 -3.983 7.924 -3.470 1.00 75.32 H new ATOM 0 HH22 ARG A 32 -5.131 8.890 -4.403 1.00 75.32 H new ATOM 523 N SER A 33 0.249 10.087 2.210 1.00 71.13 N ATOM 524 CA SER A 33 1.579 10.692 2.075 1.00 1.34 C ATOM 525 C SER A 33 2.671 9.612 2.107 1.00 4.41 C ATOM 526 O SER A 33 3.635 9.671 1.342 1.00 75.41 O ATOM 527 CB SER A 33 1.808 11.696 3.214 1.00 53.14 C ATOM 528 OG SER A 33 0.861 12.758 3.169 1.00 32.22 O ATOM 0 H SER A 33 -0.215 10.309 3.091 1.00 71.13 H new ATOM 0 HA SER A 33 1.631 11.209 1.117 1.00 1.34 H new ATOM 0 HB2 SER A 33 1.736 11.183 4.173 1.00 53.14 H new ATOM 0 HB3 SER A 33 2.817 12.103 3.145 1.00 53.14 H new ATOM 0 HG SER A 33 0.051 12.495 3.655 1.00 32.22 H new ATOM 534 N MET A 34 2.490 8.617 3.001 1.00 4.11 N ATOM 535 CA MET A 34 3.443 7.494 3.151 1.00 25.31 C ATOM 536 C MET A 34 3.435 6.627 1.888 1.00 42.52 C ATOM 537 O MET A 34 4.479 6.133 1.462 1.00 1.45 O ATOM 538 CB MET A 34 3.122 6.591 4.381 1.00 34.15 C ATOM 539 CG MET A 34 3.319 7.209 5.774 1.00 4.03 C ATOM 540 SD MET A 34 2.851 6.060 7.081 1.00 14.20 S ATOM 541 CE MET A 34 4.048 4.753 6.826 1.00 12.25 C ATOM 0 H MET A 34 1.690 8.568 3.632 1.00 4.11 H new ATOM 0 HA MET A 34 4.426 7.938 3.308 1.00 25.31 H new ATOM 0 HB2 MET A 34 2.085 6.264 4.299 1.00 34.15 H new ATOM 0 HB3 MET A 34 3.744 5.698 4.316 1.00 34.15 H new ATOM 0 HG2 MET A 34 4.362 7.499 5.900 1.00 4.03 H new ATOM 0 HG3 MET A 34 2.723 8.118 5.857 1.00 4.03 H new ATOM 0 HE1 MET A 34 4.478 4.461 7.784 1.00 12.25 H new ATOM 0 HE2 MET A 34 3.556 3.893 6.372 1.00 12.25 H new ATOM 0 HE3 MET A 34 4.840 5.108 6.167 1.00 12.25 H new ATOM 551 N LEU A 35 2.240 6.465 1.282 1.00 74.12 N ATOM 552 CA LEU A 35 2.079 5.608 0.086 1.00 62.21 C ATOM 553 C LEU A 35 2.601 6.376 -1.159 1.00 13.34 C ATOM 554 O LEU A 35 3.134 5.766 -2.091 1.00 63.20 O ATOM 555 CB LEU A 35 0.586 5.106 -0.079 1.00 13.24 C ATOM 556 CG LEU A 35 0.329 3.734 -0.834 1.00 50.44 C ATOM 557 CD1 LEU A 35 -1.129 3.252 -0.651 1.00 54.34 C ATOM 558 CD2 LEU A 35 0.663 3.811 -2.332 1.00 24.14 C ATOM 0 H LEU A 35 1.379 6.912 1.597 1.00 74.12 H new ATOM 0 HA LEU A 35 2.675 4.703 0.203 1.00 62.21 H new ATOM 0 HB2 LEU A 35 0.152 5.023 0.917 1.00 13.24 H new ATOM 0 HB3 LEU A 35 0.031 5.883 -0.605 1.00 13.24 H new ATOM 0 HG LEU A 35 1.005 3.011 -0.377 1.00 50.44 H new ATOM 0 HD11 LEU A 35 -1.270 2.310 -1.181 1.00 54.34 H new ATOM 0 HD12 LEU A 35 -1.333 3.106 0.410 1.00 54.34 H new ATOM 0 HD13 LEU A 35 -1.813 4.000 -1.052 1.00 54.34 H new ATOM 0 HD21 LEU A 35 0.469 2.845 -2.798 1.00 24.14 H new ATOM 0 HD22 LEU A 35 0.043 4.573 -2.804 1.00 24.14 H new ATOM 0 HD23 LEU A 35 1.714 4.069 -2.458 1.00 24.14 H new ATOM 570 N ALA A 36 2.481 7.723 -1.143 1.00 75.30 N ATOM 571 CA ALA A 36 3.054 8.589 -2.195 1.00 3.42 C ATOM 572 C ALA A 36 4.594 8.542 -2.163 1.00 23.42 C ATOM 573 O ALA A 36 5.242 8.501 -3.216 1.00 12.34 O ATOM 574 CB ALA A 36 2.541 10.030 -2.046 1.00 1.21 C ATOM 0 H ALA A 36 1.990 8.234 -0.409 1.00 75.30 H new ATOM 0 HA ALA A 36 2.729 8.213 -3.165 1.00 3.42 H new ATOM 0 HB1 ALA A 36 2.973 10.653 -2.829 1.00 1.21 H new ATOM 0 HB2 ALA A 36 1.455 10.040 -2.133 1.00 1.21 H new ATOM 0 HB3 ALA A 36 2.831 10.420 -1.070 1.00 1.21 H new ATOM 580 N THR A 37 5.155 8.524 -0.931 1.00 2.22 N ATOM 581 CA THR A 37 6.600 8.333 -0.698 1.00 52.54 C ATOM 582 C THR A 37 7.028 6.933 -1.176 1.00 61.15 C ATOM 583 O THR A 37 8.089 6.768 -1.777 1.00 53.33 O ATOM 584 CB THR A 37 6.953 8.508 0.824 1.00 25.55 C ATOM 585 OG1 THR A 37 6.475 9.779 1.282 1.00 42.33 O ATOM 586 CG2 THR A 37 8.466 8.416 1.106 1.00 74.43 C ATOM 0 H THR A 37 4.616 8.642 -0.073 1.00 2.22 H new ATOM 0 HA THR A 37 7.140 9.091 -1.265 1.00 52.54 H new ATOM 0 HB THR A 37 6.469 7.689 1.356 1.00 25.55 H new ATOM 0 HG1 THR A 37 5.496 9.764 1.326 1.00 42.33 H new ATOM 0 HG21 THR A 37 8.646 8.545 2.173 1.00 74.43 H new ATOM 0 HG22 THR A 37 8.836 7.441 0.791 1.00 74.43 H new ATOM 0 HG23 THR A 37 8.987 9.198 0.554 1.00 74.43 H new ATOM 594 N ALA A 38 6.143 5.946 -0.930 1.00 44.32 N ATOM 595 CA ALA A 38 6.365 4.534 -1.288 1.00 15.24 C ATOM 596 C ALA A 38 6.382 4.314 -2.813 1.00 5.41 C ATOM 597 O ALA A 38 7.031 3.380 -3.292 1.00 3.05 O ATOM 598 CB ALA A 38 5.310 3.649 -0.617 1.00 43.42 C ATOM 0 H ALA A 38 5.246 6.110 -0.473 1.00 44.32 H new ATOM 0 HA ALA A 38 7.351 4.251 -0.920 1.00 15.24 H new ATOM 0 HB1 ALA A 38 5.483 2.608 -0.888 1.00 43.42 H new ATOM 0 HB2 ALA A 38 5.378 3.758 0.465 1.00 43.42 H new ATOM 0 HB3 ALA A 38 4.317 3.950 -0.950 1.00 43.42 H new ATOM 604 N LEU A 39 5.667 5.182 -3.576 1.00 41.35 N ATOM 605 CA LEU A 39 5.761 5.183 -5.054 1.00 52.42 C ATOM 606 C LEU A 39 7.112 5.776 -5.483 1.00 72.25 C ATOM 607 O LEU A 39 7.747 5.275 -6.405 1.00 43.20 O ATOM 608 CB LEU A 39 4.597 5.979 -5.739 1.00 32.51 C ATOM 609 CG LEU A 39 3.113 5.523 -5.489 1.00 43.22 C ATOM 610 CD1 LEU A 39 2.133 6.446 -6.244 1.00 51.15 C ATOM 611 CD2 LEU A 39 2.853 4.042 -5.861 1.00 4.23 C ATOM 0 H LEU A 39 5.028 5.880 -3.195 1.00 41.35 H new ATOM 0 HA LEU A 39 5.676 4.147 -5.381 1.00 52.42 H new ATOM 0 HB2 LEU A 39 4.679 7.019 -5.424 1.00 32.51 H new ATOM 0 HB3 LEU A 39 4.771 5.957 -6.815 1.00 32.51 H new ATOM 0 HG LEU A 39 2.943 5.605 -4.416 1.00 43.22 H new ATOM 0 HD11 LEU A 39 1.110 6.118 -6.061 1.00 51.15 H new ATOM 0 HD12 LEU A 39 2.254 7.471 -5.892 1.00 51.15 H new ATOM 0 HD13 LEU A 39 2.342 6.403 -7.313 1.00 51.15 H new ATOM 0 HD21 LEU A 39 1.810 3.795 -5.663 1.00 4.23 H new ATOM 0 HD22 LEU A 39 3.068 3.889 -6.919 1.00 4.23 H new ATOM 0 HD23 LEU A 39 3.498 3.398 -5.263 1.00 4.23 H new ATOM 623 N GLU A 40 7.554 6.833 -4.786 1.00 34.11 N ATOM 624 CA GLU A 40 8.844 7.495 -5.072 1.00 4.10 C ATOM 625 C GLU A 40 10.033 6.623 -4.626 1.00 13.01 C ATOM 626 O GLU A 40 11.166 6.862 -5.040 1.00 21.54 O ATOM 627 CB GLU A 40 8.884 8.890 -4.409 1.00 54.13 C ATOM 628 CG GLU A 40 7.823 9.873 -4.945 1.00 32.45 C ATOM 629 CD GLU A 40 7.980 10.176 -6.444 1.00 70.44 C ATOM 630 OE1 GLU A 40 7.287 9.542 -7.274 1.00 44.33 O ATOM 631 OE2 GLU A 40 8.803 11.046 -6.801 1.00 75.52 O ATOM 0 H GLU A 40 7.036 7.253 -4.014 1.00 34.11 H new ATOM 0 HA GLU A 40 8.933 7.626 -6.150 1.00 4.10 H new ATOM 0 HB2 GLU A 40 8.746 8.774 -3.334 1.00 54.13 H new ATOM 0 HB3 GLU A 40 9.873 9.323 -4.558 1.00 54.13 H new ATOM 0 HG2 GLU A 40 6.831 9.459 -4.767 1.00 32.45 H new ATOM 0 HG3 GLU A 40 7.885 10.806 -4.384 1.00 32.45 H new ATOM 638 N LYS A 41 9.754 5.614 -3.786 1.00 54.21 N ATOM 639 CA LYS A 41 10.710 4.537 -3.461 1.00 63.42 C ATOM 640 C LYS A 41 10.779 3.515 -4.622 1.00 32.42 C ATOM 641 O LYS A 41 9.802 3.349 -5.371 1.00 62.11 O ATOM 642 CB LYS A 41 10.288 3.831 -2.143 1.00 73.12 C ATOM 643 CG LYS A 41 10.433 4.691 -0.867 1.00 45.50 C ATOM 644 CD LYS A 41 11.920 5.154 -0.622 1.00 22.43 C ATOM 645 CE LYS A 41 12.258 5.828 0.753 1.00 51.10 C ATOM 646 NZ LYS A 41 13.694 6.211 0.788 1.00 71.25 N ATOM 0 H LYS A 41 8.857 5.519 -3.310 1.00 54.21 H new ATOM 0 HA LYS A 41 11.700 4.973 -3.323 1.00 63.42 H new ATOM 0 HB2 LYS A 41 9.249 3.515 -2.234 1.00 73.12 H new ATOM 0 HB3 LYS A 41 10.886 2.928 -2.024 1.00 73.12 H new ATOM 0 HG2 LYS A 41 9.791 5.568 -0.948 1.00 45.50 H new ATOM 0 HG3 LYS A 41 10.086 4.120 -0.006 1.00 45.50 H new ATOM 0 HD2 LYS A 41 12.565 4.283 -0.736 1.00 22.43 H new ATOM 0 HD3 LYS A 41 12.188 5.854 -1.413 1.00 22.43 H new ATOM 0 HE2 LYS A 41 11.634 6.709 0.899 1.00 51.10 H new ATOM 0 HE3 LYS A 41 12.036 5.141 1.569 1.00 51.10 H new ATOM 0 HZ1 LYS A 41 13.912 6.657 1.702 1.00 71.25 H new ATOM 0 HZ2 LYS A 41 14.283 5.362 0.668 1.00 71.25 H new ATOM 0 HZ3 LYS A 41 13.893 6.882 0.019 1.00 71.25 H new ATOM 660 N ASP A 42 11.936 2.833 -4.758 1.00 44.22 N ATOM 661 CA ASP A 42 12.165 1.832 -5.821 1.00 31.45 C ATOM 662 C ASP A 42 11.325 0.577 -5.537 1.00 3.42 C ATOM 663 O ASP A 42 11.612 -0.171 -4.603 1.00 10.12 O ATOM 664 CB ASP A 42 13.669 1.450 -5.941 1.00 45.32 C ATOM 665 CG ASP A 42 14.549 2.597 -6.464 1.00 55.41 C ATOM 666 OD1 ASP A 42 15.243 3.249 -5.658 1.00 31.14 O ATOM 667 OD2 ASP A 42 14.552 2.850 -7.687 1.00 71.24 O ATOM 0 H ASP A 42 12.735 2.960 -4.136 1.00 44.22 H new ATOM 0 HA ASP A 42 11.861 2.274 -6.770 1.00 31.45 H new ATOM 0 HB2 ASP A 42 14.036 1.137 -4.964 1.00 45.32 H new ATOM 0 HB3 ASP A 42 13.767 0.593 -6.608 1.00 45.32 H new ATOM 672 N ILE A 43 10.266 0.378 -6.327 1.00 14.54 N ATOM 673 CA ILE A 43 9.351 -0.773 -6.193 1.00 31.13 C ATOM 674 C ILE A 43 9.285 -1.534 -7.536 1.00 51.34 C ATOM 675 O ILE A 43 9.322 -0.919 -8.605 1.00 63.54 O ATOM 676 CB ILE A 43 7.921 -0.288 -5.714 1.00 45.55 C ATOM 677 CG1 ILE A 43 7.258 0.697 -6.733 1.00 3.24 C ATOM 678 CG2 ILE A 43 8.019 0.377 -4.314 1.00 53.41 C ATOM 679 CD1 ILE A 43 5.944 1.313 -6.260 1.00 0.35 C ATOM 0 H ILE A 43 10.013 1.012 -7.085 1.00 14.54 H new ATOM 0 HA ILE A 43 9.727 -1.458 -5.433 1.00 31.13 H new ATOM 0 HB ILE A 43 7.284 -1.171 -5.653 1.00 45.55 H new ATOM 0 HG12 ILE A 43 7.962 1.500 -6.952 1.00 3.24 H new ATOM 0 HG13 ILE A 43 7.079 0.166 -7.668 1.00 3.24 H new ATOM 0 HG21 ILE A 43 7.029 0.706 -3.997 1.00 53.41 H new ATOM 0 HG22 ILE A 43 8.409 -0.344 -3.595 1.00 53.41 H new ATOM 0 HG23 ILE A 43 8.687 1.237 -4.365 1.00 53.41 H new ATOM 0 HD11 ILE A 43 5.558 1.981 -7.030 1.00 0.35 H new ATOM 0 HD12 ILE A 43 5.219 0.522 -6.069 1.00 0.35 H new ATOM 0 HD13 ILE A 43 6.116 1.877 -5.343 1.00 0.35 H new ATOM 691 N SER A 44 9.219 -2.875 -7.471 1.00 62.20 N ATOM 692 CA SER A 44 9.201 -3.751 -8.690 1.00 11.23 C ATOM 693 C SER A 44 7.768 -3.820 -9.262 1.00 72.30 C ATOM 694 O SER A 44 6.845 -3.284 -8.648 1.00 3.51 O ATOM 695 CB SER A 44 9.763 -5.179 -8.374 1.00 53.11 C ATOM 696 OG SER A 44 9.773 -6.017 -9.524 1.00 64.23 O ATOM 0 H SER A 44 9.177 -3.391 -6.592 1.00 62.20 H new ATOM 0 HA SER A 44 9.855 -3.314 -9.445 1.00 11.23 H new ATOM 0 HB2 SER A 44 10.776 -5.091 -7.982 1.00 53.11 H new ATOM 0 HB3 SER A 44 9.158 -5.642 -7.594 1.00 53.11 H new ATOM 0 HG SER A 44 10.132 -6.897 -9.284 1.00 64.23 H new ATOM 702 N GLN A 45 7.610 -4.500 -10.428 1.00 25.44 N ATOM 703 CA GLN A 45 6.344 -4.576 -11.203 1.00 45.15 C ATOM 704 C GLN A 45 5.123 -4.907 -10.318 1.00 2.44 C ATOM 705 O GLN A 45 4.093 -4.244 -10.421 1.00 53.44 O ATOM 706 CB GLN A 45 6.499 -5.590 -12.401 1.00 22.22 C ATOM 707 CG GLN A 45 5.302 -5.687 -13.405 1.00 52.53 C ATOM 708 CD GLN A 45 4.152 -6.615 -12.978 1.00 54.10 C ATOM 709 OE1 GLN A 45 3.163 -6.187 -12.371 1.00 71.13 O ATOM 710 NE2 GLN A 45 4.289 -7.899 -13.270 1.00 24.02 N ATOM 0 H GLN A 45 8.372 -5.020 -10.863 1.00 25.44 H new ATOM 0 HA GLN A 45 6.148 -3.586 -11.615 1.00 45.15 H new ATOM 0 HB2 GLN A 45 7.392 -5.317 -12.963 1.00 22.22 H new ATOM 0 HB3 GLN A 45 6.675 -6.582 -11.985 1.00 22.22 H new ATOM 0 HG2 GLN A 45 4.899 -4.686 -13.560 1.00 52.53 H new ATOM 0 HG3 GLN A 45 5.684 -6.030 -14.367 1.00 52.53 H new ATOM 0 HE21 GLN A 45 5.116 -8.222 -13.772 1.00 24.02 H new ATOM 0 HE22 GLN A 45 3.567 -8.565 -12.993 1.00 24.02 H new ATOM 719 N GLU A 46 5.282 -5.876 -9.400 1.00 73.23 N ATOM 720 CA GLU A 46 4.159 -6.442 -8.624 1.00 14.00 C ATOM 721 C GLU A 46 3.751 -5.486 -7.490 1.00 42.54 C ATOM 722 O GLU A 46 2.564 -5.295 -7.222 1.00 44.44 O ATOM 723 CB GLU A 46 4.522 -7.834 -8.031 1.00 14.02 C ATOM 724 CG GLU A 46 4.919 -8.930 -9.058 1.00 72.54 C ATOM 725 CD GLU A 46 6.256 -8.687 -9.797 1.00 14.15 C ATOM 726 OE1 GLU A 46 6.315 -8.889 -11.027 1.00 1.13 O ATOM 727 OE2 GLU A 46 7.251 -8.274 -9.146 1.00 12.12 O ATOM 0 H GLU A 46 6.187 -6.289 -9.174 1.00 73.23 H new ATOM 0 HA GLU A 46 3.320 -6.569 -9.308 1.00 14.00 H new ATOM 0 HB2 GLU A 46 5.347 -7.704 -7.331 1.00 14.02 H new ATOM 0 HB3 GLU A 46 3.670 -8.195 -7.456 1.00 14.02 H new ATOM 0 HG2 GLU A 46 4.978 -9.887 -8.539 1.00 72.54 H new ATOM 0 HG3 GLU A 46 4.124 -9.017 -9.798 1.00 72.54 H new ATOM 734 N GLU A 47 4.751 -4.865 -6.849 1.00 3.10 N ATOM 735 CA GLU A 47 4.532 -3.974 -5.689 1.00 33.11 C ATOM 736 C GLU A 47 3.940 -2.644 -6.193 1.00 14.32 C ATOM 737 O GLU A 47 2.997 -2.089 -5.603 1.00 75.42 O ATOM 738 CB GLU A 47 5.887 -3.778 -4.924 1.00 72.50 C ATOM 739 CG GLU A 47 5.817 -3.142 -3.510 1.00 1.25 C ATOM 740 CD GLU A 47 7.159 -3.238 -2.757 1.00 11.43 C ATOM 741 OE1 GLU A 47 7.659 -4.368 -2.582 1.00 64.12 O ATOM 742 OE2 GLU A 47 7.708 -2.209 -2.326 1.00 51.03 O ATOM 0 H GLU A 47 5.731 -4.962 -7.114 1.00 3.10 H new ATOM 0 HA GLU A 47 3.823 -4.410 -4.985 1.00 33.11 H new ATOM 0 HB2 GLU A 47 6.368 -4.752 -4.833 1.00 72.50 H new ATOM 0 HB3 GLU A 47 6.537 -3.158 -5.542 1.00 72.50 H new ATOM 0 HG2 GLU A 47 5.527 -2.095 -3.599 1.00 1.25 H new ATOM 0 HG3 GLU A 47 5.041 -3.639 -2.929 1.00 1.25 H new ATOM 749 N ARG A 48 4.470 -2.205 -7.355 1.00 14.23 N ATOM 750 CA ARG A 48 3.962 -1.060 -8.116 1.00 41.40 C ATOM 751 C ARG A 48 2.504 -1.288 -8.524 1.00 32.41 C ATOM 752 O ARG A 48 1.678 -0.392 -8.405 1.00 21.41 O ATOM 753 CB ARG A 48 4.827 -0.827 -9.377 1.00 4.32 C ATOM 754 CG ARG A 48 4.435 0.422 -10.190 1.00 63.22 C ATOM 755 CD ARG A 48 5.240 0.562 -11.486 1.00 34.42 C ATOM 756 NE ARG A 48 5.032 -0.573 -12.401 1.00 22.33 N ATOM 757 CZ ARG A 48 6.001 -1.235 -13.054 1.00 10.53 C ATOM 758 NH1 ARG A 48 7.285 -0.895 -12.904 1.00 71.52 N ATOM 759 NH2 ARG A 48 5.683 -2.243 -13.848 1.00 22.20 N ATOM 0 H ARG A 48 5.277 -2.650 -7.792 1.00 14.23 H new ATOM 0 HA ARG A 48 4.015 -0.177 -7.479 1.00 41.40 H new ATOM 0 HB2 ARG A 48 5.871 -0.738 -9.076 1.00 4.32 H new ATOM 0 HB3 ARG A 48 4.754 -1.703 -10.021 1.00 4.32 H new ATOM 0 HG2 ARG A 48 3.373 0.375 -10.430 1.00 63.22 H new ATOM 0 HG3 ARG A 48 4.584 1.311 -9.577 1.00 63.22 H new ATOM 0 HD2 ARG A 48 4.957 1.487 -11.988 1.00 34.42 H new ATOM 0 HD3 ARG A 48 6.300 0.642 -11.245 1.00 34.42 H new ATOM 0 HE ARG A 48 4.072 -0.882 -12.551 1.00 22.33 H new ATOM 0 HH11 ARG A 48 7.540 -0.124 -12.287 1.00 71.52 H new ATOM 0 HH12 ARG A 48 8.010 -1.407 -13.406 1.00 71.52 H new ATOM 0 HH21 ARG A 48 4.706 -2.514 -13.962 1.00 22.20 H new ATOM 0 HH22 ARG A 48 6.414 -2.750 -14.347 1.00 22.20 H new ATOM 773 N ASN A 49 2.216 -2.527 -8.973 1.00 42.34 N ATOM 774 CA ASN A 49 0.890 -2.935 -9.466 1.00 54.04 C ATOM 775 C ASN A 49 -0.168 -2.794 -8.352 1.00 24.11 C ATOM 776 O ASN A 49 -1.235 -2.225 -8.586 1.00 54.21 O ATOM 777 CB ASN A 49 0.970 -4.391 -10.015 1.00 42.34 C ATOM 778 CG ASN A 49 -0.218 -4.822 -10.883 1.00 60.31 C ATOM 779 OD1 ASN A 49 -1.362 -4.445 -10.645 1.00 30.43 O ATOM 780 ND2 ASN A 49 0.053 -5.606 -11.919 1.00 11.33 N ATOM 0 H ASN A 49 2.906 -3.278 -9.003 1.00 42.34 H new ATOM 0 HA ASN A 49 0.582 -2.280 -10.281 1.00 54.04 H new ATOM 0 HB2 ASN A 49 1.884 -4.493 -10.600 1.00 42.34 H new ATOM 0 HB3 ASN A 49 1.053 -5.077 -9.172 1.00 42.34 H new ATOM 0 HD21 ASN A 49 -0.698 -5.909 -12.539 1.00 11.33 H new ATOM 0 HD22 ASN A 49 1.012 -5.905 -12.095 1.00 11.33 H new ATOM 787 N ALA A 50 0.179 -3.263 -7.134 1.00 51.11 N ATOM 788 CA ALA A 50 -0.691 -3.176 -5.945 1.00 71.23 C ATOM 789 C ALA A 50 -0.973 -1.715 -5.552 1.00 60.41 C ATOM 790 O ALA A 50 -2.124 -1.345 -5.271 1.00 41.21 O ATOM 791 CB ALA A 50 -0.045 -3.929 -4.768 1.00 15.12 C ATOM 0 H ALA A 50 1.075 -3.714 -6.949 1.00 51.11 H new ATOM 0 HA ALA A 50 -1.646 -3.640 -6.193 1.00 71.23 H new ATOM 0 HB1 ALA A 50 -0.692 -3.861 -3.893 1.00 15.12 H new ATOM 0 HB2 ALA A 50 0.092 -4.976 -5.037 1.00 15.12 H new ATOM 0 HB3 ALA A 50 0.923 -3.484 -4.539 1.00 15.12 H new ATOM 797 N LEU A 51 0.087 -0.876 -5.546 1.00 73.25 N ATOM 798 CA LEU A 51 -0.032 0.531 -5.100 1.00 21.11 C ATOM 799 C LEU A 51 -0.616 1.464 -6.208 1.00 24.55 C ATOM 800 O LEU A 51 -1.131 2.558 -5.901 1.00 44.24 O ATOM 801 CB LEU A 51 1.328 1.062 -4.555 1.00 65.41 C ATOM 802 CG LEU A 51 2.076 0.232 -3.433 1.00 1.34 C ATOM 803 CD1 LEU A 51 3.359 0.966 -2.952 1.00 52.11 C ATOM 804 CD2 LEU A 51 1.182 -0.120 -2.213 1.00 55.51 C ATOM 0 H LEU A 51 1.026 -1.145 -5.842 1.00 73.25 H new ATOM 0 HA LEU A 51 -0.750 0.546 -4.280 1.00 21.11 H new ATOM 0 HB2 LEU A 51 2.007 1.160 -5.402 1.00 65.41 H new ATOM 0 HB3 LEU A 51 1.158 2.066 -4.165 1.00 65.41 H new ATOM 0 HG LEU A 51 2.349 -0.711 -3.907 1.00 1.34 H new ATOM 0 HD11 LEU A 51 3.851 0.372 -2.182 1.00 52.11 H new ATOM 0 HD12 LEU A 51 4.038 1.102 -3.794 1.00 52.11 H new ATOM 0 HD13 LEU A 51 3.089 1.939 -2.542 1.00 52.11 H new ATOM 0 HD21 LEU A 51 1.764 -0.688 -1.487 1.00 55.51 H new ATOM 0 HD22 LEU A 51 0.821 0.798 -1.749 1.00 55.51 H new ATOM 0 HD23 LEU A 51 0.333 -0.717 -2.545 1.00 55.51 H new ATOM 816 N ASN A 52 -0.578 1.023 -7.485 1.00 62.41 N ATOM 817 CA ASN A 52 -1.260 1.741 -8.600 1.00 0.03 C ATOM 818 C ASN A 52 -2.777 1.470 -8.550 1.00 51.33 C ATOM 819 O ASN A 52 -3.612 2.397 -8.697 1.00 14.14 O ATOM 820 CB ASN A 52 -0.683 1.358 -9.996 1.00 55.13 C ATOM 821 CG ASN A 52 0.611 2.105 -10.337 1.00 73.13 C ATOM 822 OD1 ASN A 52 1.455 2.345 -9.472 1.00 34.51 O ATOM 823 ND2 ASN A 52 0.751 2.530 -11.587 1.00 21.11 N ATOM 0 H ASN A 52 -0.086 0.178 -7.775 1.00 62.41 H new ATOM 0 HA ASN A 52 -1.076 2.807 -8.463 1.00 0.03 H new ATOM 0 HB2 ASN A 52 -0.494 0.285 -10.022 1.00 55.13 H new ATOM 0 HB3 ASN A 52 -1.430 1.569 -10.761 1.00 55.13 H new ATOM 0 HD21 ASN A 52 1.574 3.071 -11.853 1.00 21.11 H new ATOM 0 HD22 ASN A 52 0.035 2.316 -12.282 1.00 21.11 H new ATOM 830 N ILE A 53 -3.107 0.180 -8.295 1.00 13.13 N ATOM 831 CA ILE A 53 -4.480 -0.281 -8.010 1.00 11.45 C ATOM 832 C ILE A 53 -5.035 0.494 -6.799 1.00 24.43 C ATOM 833 O ILE A 53 -6.217 0.870 -6.771 1.00 33.21 O ATOM 834 CB ILE A 53 -4.509 -1.843 -7.736 1.00 14.32 C ATOM 835 CG1 ILE A 53 -4.311 -2.642 -9.068 1.00 53.44 C ATOM 836 CG2 ILE A 53 -5.786 -2.295 -6.990 1.00 54.42 C ATOM 837 CD1 ILE A 53 -4.340 -4.154 -8.913 1.00 33.13 C ATOM 0 H ILE A 53 -2.419 -0.573 -8.282 1.00 13.13 H new ATOM 0 HA ILE A 53 -5.107 -0.088 -8.880 1.00 11.45 H new ATOM 0 HB ILE A 53 -3.674 -2.067 -7.072 1.00 14.32 H new ATOM 0 HG12 ILE A 53 -5.090 -2.348 -9.771 1.00 53.44 H new ATOM 0 HG13 ILE A 53 -3.357 -2.354 -9.510 1.00 53.44 H new ATOM 0 HG21 ILE A 53 -5.752 -3.373 -6.830 1.00 54.42 H new ATOM 0 HG22 ILE A 53 -5.844 -1.787 -6.028 1.00 54.42 H new ATOM 0 HG23 ILE A 53 -6.663 -2.045 -7.586 1.00 54.42 H new ATOM 0 HD11 ILE A 53 -4.195 -4.622 -9.886 1.00 33.13 H new ATOM 0 HD12 ILE A 53 -3.543 -4.466 -8.238 1.00 33.13 H new ATOM 0 HD13 ILE A 53 -5.303 -4.459 -8.503 1.00 33.13 H new ATOM 849 N ALA A 54 -4.129 0.756 -5.822 1.00 20.45 N ATOM 850 CA ALA A 54 -4.450 1.531 -4.623 1.00 21.21 C ATOM 851 C ALA A 54 -4.881 2.949 -5.007 1.00 13.32 C ATOM 852 O ALA A 54 -5.967 3.334 -4.630 1.00 44.20 O ATOM 853 CB ALA A 54 -3.279 1.553 -3.630 1.00 22.35 C ATOM 0 H ALA A 54 -3.162 0.432 -5.855 1.00 20.45 H new ATOM 0 HA ALA A 54 -5.284 1.042 -4.119 1.00 21.21 H new ATOM 0 HB1 ALA A 54 -3.556 2.138 -2.753 1.00 22.35 H new ATOM 0 HB2 ALA A 54 -3.041 0.534 -3.326 1.00 22.35 H new ATOM 0 HB3 ALA A 54 -2.407 2.003 -4.105 1.00 22.35 H new ATOM 859 N GLU A 55 -4.064 3.679 -5.832 1.00 64.52 N ATOM 860 CA GLU A 55 -4.407 5.091 -6.249 1.00 12.34 C ATOM 861 C GLU A 55 -5.805 5.161 -6.869 1.00 0.22 C ATOM 862 O GLU A 55 -6.643 5.980 -6.455 1.00 33.44 O ATOM 863 CB GLU A 55 -3.408 5.752 -7.278 1.00 31.14 C ATOM 864 CG GLU A 55 -2.160 6.463 -6.701 1.00 10.13 C ATOM 865 CD GLU A 55 -2.491 7.421 -5.543 1.00 53.33 C ATOM 866 OE1 GLU A 55 -2.408 7.005 -4.367 1.00 63.24 O ATOM 867 OE2 GLU A 55 -2.848 8.592 -5.806 1.00 32.24 O ATOM 0 H GLU A 55 -3.186 3.330 -6.215 1.00 64.52 H new ATOM 0 HA GLU A 55 -4.343 5.652 -5.317 1.00 12.34 H new ATOM 0 HB2 GLU A 55 -3.067 4.976 -7.963 1.00 31.14 H new ATOM 0 HB3 GLU A 55 -3.965 6.477 -7.870 1.00 31.14 H new ATOM 0 HG2 GLU A 55 -1.451 5.712 -6.352 1.00 10.13 H new ATOM 0 HG3 GLU A 55 -1.667 7.021 -7.497 1.00 10.13 H new ATOM 874 N LYS A 56 -6.046 4.272 -7.854 1.00 44.13 N ATOM 875 CA LYS A 56 -7.269 4.335 -8.663 1.00 52.15 C ATOM 876 C LYS A 56 -8.513 4.041 -7.812 1.00 21.15 C ATOM 877 O LYS A 56 -9.533 4.693 -7.988 1.00 71.04 O ATOM 878 CB LYS A 56 -7.186 3.401 -9.901 1.00 42.33 C ATOM 879 CG LYS A 56 -6.134 3.789 -10.984 1.00 35.13 C ATOM 880 CD LYS A 56 -6.462 5.113 -11.749 1.00 14.22 C ATOM 881 CE LYS A 56 -5.967 6.389 -11.045 1.00 15.20 C ATOM 882 NZ LYS A 56 -6.385 7.627 -11.763 1.00 54.25 N ATOM 0 H LYS A 56 -5.414 3.511 -8.103 1.00 44.13 H new ATOM 0 HA LYS A 56 -7.362 5.354 -9.039 1.00 52.15 H new ATOM 0 HB2 LYS A 56 -6.965 2.391 -9.555 1.00 42.33 H new ATOM 0 HB3 LYS A 56 -8.168 3.369 -10.373 1.00 42.33 H new ATOM 0 HG2 LYS A 56 -5.159 3.889 -10.508 1.00 35.13 H new ATOM 0 HG3 LYS A 56 -6.054 2.976 -11.705 1.00 35.13 H new ATOM 0 HD2 LYS A 56 -6.017 5.064 -12.743 1.00 14.22 H new ATOM 0 HD3 LYS A 56 -7.541 5.182 -11.886 1.00 14.22 H new ATOM 0 HE2 LYS A 56 -6.354 6.413 -10.026 1.00 15.20 H new ATOM 0 HE3 LYS A 56 -4.880 6.363 -10.972 1.00 15.20 H new ATOM 0 HZ1 LYS A 56 -6.030 8.461 -11.253 1.00 54.25 H new ATOM 0 HZ2 LYS A 56 -5.994 7.618 -12.727 1.00 54.25 H new ATOM 0 HZ3 LYS A 56 -7.423 7.667 -11.811 1.00 54.25 H new ATOM 896 N ALA A 57 -8.394 3.109 -6.843 1.00 2.51 N ATOM 897 CA ALA A 57 -9.515 2.736 -5.950 1.00 64.13 C ATOM 898 C ALA A 57 -9.738 3.800 -4.845 1.00 4.44 C ATOM 899 O ALA A 57 -10.895 4.124 -4.524 1.00 73.24 O ATOM 900 CB ALA A 57 -9.297 1.333 -5.350 1.00 40.54 C ATOM 0 H ALA A 57 -7.530 2.599 -6.658 1.00 2.51 H new ATOM 0 HA ALA A 57 -10.424 2.702 -6.551 1.00 64.13 H new ATOM 0 HB1 ALA A 57 -10.134 1.082 -4.698 1.00 40.54 H new ATOM 0 HB2 ALA A 57 -9.231 0.600 -6.154 1.00 40.54 H new ATOM 0 HB3 ALA A 57 -8.372 1.324 -4.773 1.00 40.54 H new ATOM 906 N LEU A 58 -8.629 4.365 -4.293 1.00 43.42 N ATOM 907 CA LEU A 58 -8.676 5.447 -3.266 1.00 22.34 C ATOM 908 C LEU A 58 -9.532 6.609 -3.792 1.00 43.34 C ATOM 909 O LEU A 58 -10.515 7.013 -3.161 1.00 72.30 O ATOM 910 CB LEU A 58 -7.227 5.976 -2.888 1.00 21.33 C ATOM 911 CG LEU A 58 -6.209 4.993 -2.089 1.00 15.14 C ATOM 912 CD1 LEU A 58 -4.705 5.401 -2.207 1.00 33.34 C ATOM 913 CD2 LEU A 58 -6.546 4.764 -0.570 1.00 53.15 C ATOM 0 H LEU A 58 -7.681 4.086 -4.545 1.00 43.42 H new ATOM 0 HA LEU A 58 -9.118 5.031 -2.361 1.00 22.34 H new ATOM 0 HB2 LEU A 58 -6.735 6.276 -3.813 1.00 21.33 H new ATOM 0 HB3 LEU A 58 -7.353 6.877 -2.287 1.00 21.33 H new ATOM 0 HG LEU A 58 -6.368 4.050 -2.611 1.00 15.14 H new ATOM 0 HD11 LEU A 58 -4.092 4.696 -1.647 1.00 33.34 H new ATOM 0 HD12 LEU A 58 -4.406 5.389 -3.255 1.00 33.34 H new ATOM 0 HD13 LEU A 58 -4.567 6.403 -1.802 1.00 33.34 H new ATOM 0 HD21 LEU A 58 -5.807 4.094 -0.130 1.00 53.15 H new ATOM 0 HD22 LEU A 58 -6.528 5.719 -0.045 1.00 53.15 H new ATOM 0 HD23 LEU A 58 -7.537 4.320 -0.480 1.00 53.15 H new ATOM 925 N ASP A 59 -9.178 7.076 -4.994 1.00 72.14 N ATOM 926 CA ASP A 59 -9.834 8.225 -5.637 1.00 13.21 C ATOM 927 C ASP A 59 -11.100 7.824 -6.420 1.00 34.11 C ATOM 928 O ASP A 59 -11.763 8.683 -6.997 1.00 63.33 O ATOM 929 CB ASP A 59 -8.818 8.974 -6.520 1.00 21.43 C ATOM 930 CG ASP A 59 -7.637 9.491 -5.689 1.00 0.20 C ATOM 931 OD1 ASP A 59 -7.763 10.556 -5.032 1.00 21.33 O ATOM 932 OD2 ASP A 59 -6.592 8.820 -5.658 1.00 0.13 O ATOM 0 H ASP A 59 -8.427 6.669 -5.551 1.00 72.14 H new ATOM 0 HA ASP A 59 -10.180 8.900 -4.854 1.00 13.21 H new ATOM 0 HB2 ASP A 59 -8.452 8.309 -7.302 1.00 21.43 H new ATOM 0 HB3 ASP A 59 -9.310 9.810 -7.017 1.00 21.43 H new ATOM 937 N ASN A 60 -11.430 6.519 -6.446 1.00 43.45 N ATOM 938 CA ASN A 60 -12.750 6.029 -6.930 1.00 35.00 C ATOM 939 C ASN A 60 -13.692 5.764 -5.724 1.00 53.44 C ATOM 940 O ASN A 60 -14.860 5.406 -5.908 1.00 24.42 O ATOM 941 CB ASN A 60 -12.574 4.748 -7.806 1.00 5.34 C ATOM 942 CG ASN A 60 -13.830 4.325 -8.585 1.00 2.50 C ATOM 943 OD1 ASN A 60 -14.654 5.149 -8.974 1.00 11.21 O ATOM 944 ND2 ASN A 60 -13.978 3.032 -8.831 1.00 22.44 N ATOM 0 H ASN A 60 -10.803 5.776 -6.138 1.00 43.45 H new ATOM 0 HA ASN A 60 -13.205 6.796 -7.557 1.00 35.00 H new ATOM 0 HB2 ASN A 60 -11.763 4.918 -8.515 1.00 5.34 H new ATOM 0 HB3 ASN A 60 -12.267 3.923 -7.162 1.00 5.34 H new ATOM 0 HD21 ASN A 60 -14.789 2.702 -9.354 1.00 22.44 H new ATOM 0 HD22 ASN A 60 -13.281 2.366 -8.498 1.00 22.44 H new ATOM 951 N SER A 61 -13.140 5.915 -4.488 1.00 34.43 N ATOM 952 CA SER A 61 -13.904 5.876 -3.210 1.00 62.15 C ATOM 953 C SER A 61 -14.306 4.438 -2.843 1.00 14.04 C ATOM 954 O SER A 61 -15.262 4.217 -2.095 1.00 13.11 O ATOM 955 CB SER A 61 -15.148 6.818 -3.230 1.00 34.43 C ATOM 956 OG SER A 61 -14.790 8.173 -3.441 1.00 13.42 O ATOM 0 H SER A 61 -12.141 6.069 -4.350 1.00 34.43 H new ATOM 0 HA SER A 61 -13.235 6.250 -2.435 1.00 62.15 H new ATOM 0 HB2 SER A 61 -15.831 6.498 -4.016 1.00 34.43 H new ATOM 0 HB3 SER A 61 -15.685 6.729 -2.285 1.00 34.43 H new ATOM 0 HG SER A 61 -15.341 8.749 -2.871 1.00 13.42 H new ATOM 962 N GLU A 62 -13.509 3.464 -3.311 1.00 20.30 N ATOM 963 CA GLU A 62 -13.741 2.023 -3.061 1.00 0.54 C ATOM 964 C GLU A 62 -13.237 1.583 -1.659 1.00 33.32 C ATOM 965 O GLU A 62 -12.798 0.452 -1.492 1.00 20.22 O ATOM 966 CB GLU A 62 -13.090 1.192 -4.198 1.00 11.41 C ATOM 967 CG GLU A 62 -13.727 1.428 -5.582 1.00 70.45 C ATOM 968 CD GLU A 62 -13.124 0.545 -6.685 1.00 34.24 C ATOM 969 OE1 GLU A 62 -12.167 0.977 -7.353 1.00 72.15 O ATOM 970 OE2 GLU A 62 -13.607 -0.589 -6.890 1.00 23.44 O ATOM 0 H GLU A 62 -12.681 3.650 -3.876 1.00 20.30 H new ATOM 0 HA GLU A 62 -14.815 1.839 -3.062 1.00 0.54 H new ATOM 0 HB2 GLU A 62 -12.028 1.434 -4.251 1.00 11.41 H new ATOM 0 HB3 GLU A 62 -13.164 0.133 -3.950 1.00 11.41 H new ATOM 0 HG2 GLU A 62 -14.798 1.238 -5.519 1.00 70.45 H new ATOM 0 HG3 GLU A 62 -13.605 2.476 -5.857 1.00 70.45 H new ATOM 977 N TYR A 63 -13.295 2.520 -0.685 1.00 63.03 N ATOM 978 CA TYR A 63 -13.320 2.251 0.775 1.00 74.13 C ATOM 979 C TYR A 63 -11.942 1.989 1.412 1.00 75.15 C ATOM 980 O TYR A 63 -11.075 1.324 0.846 1.00 12.34 O ATOM 981 CB TYR A 63 -14.331 1.118 1.148 1.00 33.10 C ATOM 982 CG TYR A 63 -15.805 1.534 1.032 1.00 23.12 C ATOM 983 CD1 TYR A 63 -16.522 1.379 -0.158 1.00 20.33 C ATOM 984 CD2 TYR A 63 -16.475 2.086 2.121 1.00 61.32 C ATOM 985 CE1 TYR A 63 -17.841 1.756 -0.252 1.00 53.43 C ATOM 986 CE2 TYR A 63 -17.793 2.463 2.030 1.00 23.34 C ATOM 987 CZ TYR A 63 -18.475 2.300 0.845 1.00 4.22 C ATOM 988 OH TYR A 63 -19.798 2.683 0.762 1.00 63.33 O ATOM 0 H TYR A 63 -13.327 3.517 -0.898 1.00 63.03 H new ATOM 0 HA TYR A 63 -13.668 3.188 1.210 1.00 74.13 H new ATOM 0 HB2 TYR A 63 -14.154 0.259 0.500 1.00 33.10 H new ATOM 0 HB3 TYR A 63 -14.135 0.792 2.170 1.00 33.10 H new ATOM 0 HD1 TYR A 63 -16.030 0.955 -1.021 1.00 20.33 H new ATOM 0 HD2 TYR A 63 -15.949 2.220 3.054 1.00 61.32 H new ATOM 0 HE1 TYR A 63 -18.378 1.627 -1.180 1.00 53.43 H new ATOM 0 HE2 TYR A 63 -18.294 2.887 2.888 1.00 23.34 H new ATOM 0 HH TYR A 63 -20.088 3.045 1.625 1.00 63.33 H new ATOM 998 N LEU A 64 -11.847 2.401 2.684 1.00 33.15 N ATOM 999 CA LEU A 64 -10.592 2.348 3.471 1.00 60.12 C ATOM 1000 C LEU A 64 -10.398 0.901 3.968 1.00 73.01 C ATOM 1001 O LEU A 64 -9.302 0.372 3.807 1.00 33.24 O ATOM 1002 CB LEU A 64 -10.496 3.382 4.698 1.00 15.42 C ATOM 1003 CG LEU A 64 -9.765 4.788 4.555 1.00 51.11 C ATOM 1004 CD1 LEU A 64 -8.253 4.659 4.218 1.00 22.33 C ATOM 1005 CD2 LEU A 64 -10.466 5.824 3.627 1.00 44.21 C ATOM 0 H LEU A 64 -12.637 2.783 3.204 1.00 33.15 H new ATOM 0 HA LEU A 64 -9.792 2.662 2.800 1.00 60.12 H new ATOM 0 HB2 LEU A 64 -11.518 3.589 5.017 1.00 15.42 H new ATOM 0 HB3 LEU A 64 -10.007 2.855 5.517 1.00 15.42 H new ATOM 0 HG LEU A 64 -9.853 5.206 5.558 1.00 51.11 H new ATOM 0 HD11 LEU A 64 -7.813 5.653 4.134 1.00 22.33 H new ATOM 0 HD12 LEU A 64 -7.750 4.105 5.010 1.00 22.33 H new ATOM 0 HD13 LEU A 64 -8.135 4.129 3.273 1.00 22.33 H new ATOM 0 HD21 LEU A 64 -9.883 6.744 3.603 1.00 44.21 H new ATOM 0 HD22 LEU A 64 -10.542 5.416 2.619 1.00 44.21 H new ATOM 0 HD23 LEU A 64 -11.464 6.037 4.009 1.00 44.21 H new ATOM 1017 N PRO A 65 -11.453 0.224 4.582 1.00 43.43 N ATOM 1018 CA PRO A 65 -11.379 -1.221 4.895 1.00 73.14 C ATOM 1019 C PRO A 65 -11.017 -2.071 3.667 1.00 21.12 C ATOM 1020 O PRO A 65 -10.171 -2.946 3.760 1.00 23.42 O ATOM 1021 CB PRO A 65 -12.797 -1.567 5.402 1.00 5.34 C ATOM 1022 CG PRO A 65 -13.319 -0.287 5.958 1.00 55.52 C ATOM 1023 CD PRO A 65 -12.754 0.795 5.066 1.00 24.35 C ATOM 0 HA PRO A 65 -10.597 -1.434 5.624 1.00 73.14 H new ATOM 0 HB2 PRO A 65 -13.429 -1.935 4.593 1.00 5.34 H new ATOM 0 HB3 PRO A 65 -12.767 -2.347 6.163 1.00 5.34 H new ATOM 0 HG2 PRO A 65 -14.409 -0.271 5.953 1.00 55.52 H new ATOM 0 HG3 PRO A 65 -13.003 -0.149 6.992 1.00 55.52 H new ATOM 0 HD2 PRO A 65 -13.425 1.019 4.237 1.00 24.35 H new ATOM 0 HD3 PRO A 65 -12.603 1.725 5.614 1.00 24.35 H new ATOM 1031 N LYS A 66 -11.623 -1.750 2.503 1.00 50.20 N ATOM 1032 CA LYS A 66 -11.458 -2.550 1.277 1.00 72.40 C ATOM 1033 C LYS A 66 -9.999 -2.479 0.772 1.00 4.55 C ATOM 1034 O LYS A 66 -9.438 -3.485 0.342 1.00 42.42 O ATOM 1035 CB LYS A 66 -12.449 -2.090 0.180 1.00 63.02 C ATOM 1036 CG LYS A 66 -12.370 -2.877 -1.154 1.00 64.32 C ATOM 1037 CD LYS A 66 -12.797 -4.362 -1.022 1.00 31.54 C ATOM 1038 CE LYS A 66 -12.766 -5.103 -2.374 1.00 61.23 C ATOM 1039 NZ LYS A 66 -13.260 -6.504 -2.266 1.00 44.43 N ATOM 0 H LYS A 66 -12.232 -0.939 2.390 1.00 50.20 H new ATOM 0 HA LYS A 66 -11.683 -3.590 1.515 1.00 72.40 H new ATOM 0 HB2 LYS A 66 -13.463 -2.171 0.572 1.00 63.02 H new ATOM 0 HB3 LYS A 66 -12.271 -1.035 -0.028 1.00 63.02 H new ATOM 0 HG2 LYS A 66 -13.005 -2.389 -1.893 1.00 64.32 H new ATOM 0 HG3 LYS A 66 -11.349 -2.833 -1.533 1.00 64.32 H new ATOM 0 HD2 LYS A 66 -12.135 -4.867 -0.318 1.00 31.54 H new ATOM 0 HD3 LYS A 66 -13.803 -4.413 -0.606 1.00 31.54 H new ATOM 0 HE2 LYS A 66 -13.376 -4.560 -3.096 1.00 61.23 H new ATOM 0 HE3 LYS A 66 -11.746 -5.109 -2.758 1.00 61.23 H new ATOM 0 HZ1 LYS A 66 -13.220 -6.959 -3.200 1.00 44.43 H new ATOM 0 HZ2 LYS A 66 -12.663 -7.032 -1.597 1.00 44.43 H new ATOM 0 HZ3 LYS A 66 -14.242 -6.500 -1.925 1.00 44.43 H new ATOM 1053 N ILE A 67 -9.386 -1.284 0.856 1.00 53.54 N ATOM 1054 CA ILE A 67 -8.004 -1.059 0.381 1.00 0.13 C ATOM 1055 C ILE A 67 -6.942 -1.501 1.415 1.00 25.23 C ATOM 1056 O ILE A 67 -5.835 -1.900 1.035 1.00 72.20 O ATOM 1057 CB ILE A 67 -7.834 0.440 -0.053 1.00 55.43 C ATOM 1058 CG1 ILE A 67 -8.842 0.724 -1.211 1.00 60.04 C ATOM 1059 CG2 ILE A 67 -6.378 0.769 -0.476 1.00 23.13 C ATOM 1060 CD1 ILE A 67 -8.970 2.172 -1.613 1.00 44.42 C ATOM 0 H ILE A 67 -9.827 -0.453 1.251 1.00 53.54 H new ATOM 0 HA ILE A 67 -7.833 -1.691 -0.491 1.00 0.13 H new ATOM 0 HB ILE A 67 -8.047 1.087 0.798 1.00 55.43 H new ATOM 0 HG12 ILE A 67 -8.539 0.147 -2.084 1.00 60.04 H new ATOM 0 HG13 ILE A 67 -9.825 0.358 -0.913 1.00 60.04 H new ATOM 0 HG21 ILE A 67 -6.312 1.817 -0.767 1.00 23.13 H new ATOM 0 HG22 ILE A 67 -5.705 0.582 0.361 1.00 23.13 H new ATOM 0 HG23 ILE A 67 -6.093 0.139 -1.319 1.00 23.13 H new ATOM 0 HD11 ILE A 67 -9.693 2.262 -2.423 1.00 44.42 H new ATOM 0 HD12 ILE A 67 -9.308 2.758 -0.758 1.00 44.42 H new ATOM 0 HD13 ILE A 67 -8.002 2.544 -1.948 1.00 44.42 H new ATOM 1072 N ILE A 68 -7.296 -1.487 2.712 1.00 34.24 N ATOM 1073 CA ILE A 68 -6.423 -2.024 3.783 1.00 15.51 C ATOM 1074 C ILE A 68 -6.385 -3.558 3.687 1.00 44.21 C ATOM 1075 O ILE A 68 -5.319 -4.178 3.814 1.00 73.44 O ATOM 1076 CB ILE A 68 -6.876 -1.532 5.211 1.00 24.23 C ATOM 1077 CG1 ILE A 68 -6.545 -0.010 5.383 1.00 5.44 C ATOM 1078 CG2 ILE A 68 -6.242 -2.378 6.347 1.00 62.14 C ATOM 1079 CD1 ILE A 68 -7.184 0.637 6.591 1.00 43.11 C ATOM 0 H ILE A 68 -8.182 -1.110 3.049 1.00 34.24 H new ATOM 0 HA ILE A 68 -5.413 -1.640 3.640 1.00 15.51 H new ATOM 0 HB ILE A 68 -7.955 -1.668 5.287 1.00 24.23 H new ATOM 0 HG12 ILE A 68 -5.464 0.108 5.452 1.00 5.44 H new ATOM 0 HG13 ILE A 68 -6.867 0.523 4.488 1.00 5.44 H new ATOM 0 HG21 ILE A 68 -6.582 -2.004 7.313 1.00 62.14 H new ATOM 0 HG22 ILE A 68 -6.542 -3.420 6.236 1.00 62.14 H new ATOM 0 HG23 ILE A 68 -5.156 -2.306 6.292 1.00 62.14 H new ATOM 0 HD11 ILE A 68 -6.902 1.689 6.632 1.00 43.11 H new ATOM 0 HD12 ILE A 68 -8.268 0.555 6.517 1.00 43.11 H new ATOM 0 HD13 ILE A 68 -6.843 0.134 7.496 1.00 43.11 H new ATOM 1091 N LEU A 69 -7.562 -4.150 3.403 1.00 61.33 N ATOM 1092 CA LEU A 69 -7.674 -5.562 3.021 1.00 35.32 C ATOM 1093 C LEU A 69 -6.858 -5.813 1.739 1.00 71.03 C ATOM 1094 O LEU A 69 -6.104 -6.751 1.695 1.00 62.21 O ATOM 1095 CB LEU A 69 -9.169 -5.993 2.827 1.00 3.52 C ATOM 1096 CG LEU A 69 -9.949 -6.570 4.098 1.00 53.12 C ATOM 1097 CD1 LEU A 69 -9.393 -7.929 4.592 1.00 54.14 C ATOM 1098 CD2 LEU A 69 -10.005 -5.583 5.299 1.00 72.11 C ATOM 0 H LEU A 69 -8.456 -3.660 3.433 1.00 61.33 H new ATOM 0 HA LEU A 69 -7.270 -6.172 3.829 1.00 35.32 H new ATOM 0 HB2 LEU A 69 -9.722 -5.129 2.459 1.00 3.52 H new ATOM 0 HB3 LEU A 69 -9.201 -6.749 2.043 1.00 3.52 H new ATOM 0 HG LEU A 69 -10.963 -6.718 3.728 1.00 53.12 H new ATOM 0 HD11 LEU A 69 -9.966 -8.264 5.456 1.00 54.14 H new ATOM 0 HD12 LEU A 69 -9.474 -8.667 3.794 1.00 54.14 H new ATOM 0 HD13 LEU A 69 -8.346 -7.813 4.874 1.00 54.14 H new ATOM 0 HD21 LEU A 69 -10.549 -6.044 6.123 1.00 72.11 H new ATOM 0 HD22 LEU A 69 -8.991 -5.345 5.622 1.00 72.11 H new ATOM 0 HD23 LEU A 69 -10.513 -4.668 4.995 1.00 72.11 H new ATOM 1110 N ASN A 70 -6.978 -4.910 0.739 1.00 62.33 N ATOM 1111 CA ASN A 70 -6.314 -5.064 -0.582 1.00 53.33 C ATOM 1112 C ASN A 70 -4.781 -5.140 -0.444 1.00 63.21 C ATOM 1113 O ASN A 70 -4.156 -5.991 -1.074 1.00 1.33 O ATOM 1114 CB ASN A 70 -6.743 -3.913 -1.552 1.00 73.42 C ATOM 1115 CG ASN A 70 -5.956 -3.857 -2.876 1.00 54.03 C ATOM 1116 OD1 ASN A 70 -6.308 -4.516 -3.852 1.00 71.41 O ATOM 1117 ND2 ASN A 70 -4.900 -3.047 -2.921 1.00 64.35 N ATOM 0 H ASN A 70 -7.533 -4.058 0.821 1.00 62.33 H new ATOM 0 HA ASN A 70 -6.642 -6.010 -1.012 1.00 53.33 H new ATOM 0 HB2 ASN A 70 -7.803 -4.025 -1.780 1.00 73.42 H new ATOM 0 HB3 ASN A 70 -6.627 -2.960 -1.036 1.00 73.42 H new ATOM 0 HD21 ASN A 70 -4.359 -2.961 -3.782 1.00 64.35 H new ATOM 0 HD22 ASN A 70 -4.632 -2.512 -2.095 1.00 64.35 H new ATOM 1124 N LEU A 71 -4.178 -4.279 0.415 1.00 21.54 N ATOM 1125 CA LEU A 71 -2.715 -4.273 0.610 1.00 43.31 C ATOM 1126 C LEU A 71 -2.302 -5.452 1.500 1.00 44.21 C ATOM 1127 O LEU A 71 -1.260 -6.041 1.290 1.00 55.23 O ATOM 1128 CB LEU A 71 -2.205 -2.930 1.224 1.00 72.41 C ATOM 1129 CG LEU A 71 -2.583 -1.584 0.500 1.00 72.43 C ATOM 1130 CD1 LEU A 71 -1.926 -0.382 1.218 1.00 15.42 C ATOM 1131 CD2 LEU A 71 -2.228 -1.577 -1.013 1.00 62.55 C ATOM 0 H LEU A 71 -4.680 -3.590 0.975 1.00 21.54 H new ATOM 0 HA LEU A 71 -2.253 -4.374 -0.372 1.00 43.31 H new ATOM 0 HB2 LEU A 71 -2.575 -2.871 2.248 1.00 72.41 H new ATOM 0 HB3 LEU A 71 -1.118 -2.983 1.280 1.00 72.41 H new ATOM 0 HG LEU A 71 -3.668 -1.495 0.560 1.00 72.43 H new ATOM 0 HD11 LEU A 71 -2.197 0.541 0.705 1.00 15.42 H new ATOM 0 HD12 LEU A 71 -2.275 -0.340 2.250 1.00 15.42 H new ATOM 0 HD13 LEU A 71 -0.842 -0.499 1.206 1.00 15.42 H new ATOM 0 HD21 LEU A 71 -2.515 -0.620 -1.450 1.00 62.55 H new ATOM 0 HD22 LEU A 71 -1.155 -1.724 -1.136 1.00 62.55 H new ATOM 0 HD23 LEU A 71 -2.765 -2.381 -1.516 1.00 62.55 H new ATOM 1143 N ARG A 72 -3.149 -5.822 2.475 1.00 3.14 N ATOM 1144 CA ARG A 72 -2.864 -6.992 3.346 1.00 25.34 C ATOM 1145 C ARG A 72 -3.117 -8.323 2.574 1.00 25.25 C ATOM 1146 O ARG A 72 -2.568 -9.355 2.924 1.00 75.20 O ATOM 1147 CB ARG A 72 -3.648 -6.898 4.700 1.00 53.24 C ATOM 1148 CG ARG A 72 -3.373 -8.054 5.697 1.00 11.33 C ATOM 1149 CD ARG A 72 -4.032 -7.841 7.071 1.00 52.15 C ATOM 1150 NE ARG A 72 -5.500 -7.766 7.018 1.00 2.33 N ATOM 1151 CZ ARG A 72 -6.342 -8.803 7.168 1.00 31.23 C ATOM 1152 NH1 ARG A 72 -5.888 -10.033 7.386 1.00 73.42 N ATOM 1153 NH2 ARG A 72 -7.636 -8.596 7.111 1.00 55.32 N ATOM 0 H ARG A 72 -4.024 -5.342 2.684 1.00 3.14 H new ATOM 0 HA ARG A 72 -1.808 -6.984 3.615 1.00 25.34 H new ATOM 0 HB2 ARG A 72 -3.397 -5.954 5.183 1.00 53.24 H new ATOM 0 HB3 ARG A 72 -4.716 -6.871 4.483 1.00 53.24 H new ATOM 0 HG2 ARG A 72 -3.736 -8.988 5.269 1.00 11.33 H new ATOM 0 HG3 ARG A 72 -2.297 -8.161 5.831 1.00 11.33 H new ATOM 0 HD2 ARG A 72 -3.743 -8.657 7.733 1.00 52.15 H new ATOM 0 HD3 ARG A 72 -3.646 -6.921 7.511 1.00 52.15 H new ATOM 0 HE ARG A 72 -5.915 -6.849 6.853 1.00 2.33 H new ATOM 0 HH11 ARG A 72 -4.884 -10.204 7.442 1.00 73.42 H new ATOM 0 HH12 ARG A 72 -6.544 -10.806 7.497 1.00 73.42 H new ATOM 0 HH21 ARG A 72 -7.995 -7.654 6.954 1.00 55.32 H new ATOM 0 HH22 ARG A 72 -8.283 -9.377 7.224 1.00 55.32 H new ATOM 1167 N LYS A 73 -3.924 -8.284 1.488 1.00 12.20 N ATOM 1168 CA LYS A 73 -4.164 -9.463 0.615 1.00 75.12 C ATOM 1169 C LYS A 73 -3.107 -9.546 -0.488 1.00 2.43 C ATOM 1170 O LYS A 73 -2.800 -10.633 -0.963 1.00 72.34 O ATOM 1171 CB LYS A 73 -5.603 -9.449 0.004 1.00 63.43 C ATOM 1172 CG LYS A 73 -6.711 -9.670 1.062 1.00 51.51 C ATOM 1173 CD LYS A 73 -8.150 -9.536 0.518 1.00 14.41 C ATOM 1174 CE LYS A 73 -8.533 -10.671 -0.433 1.00 1.52 C ATOM 1175 NZ LYS A 73 -9.919 -10.523 -0.952 1.00 50.14 N ATOM 0 H LYS A 73 -4.423 -7.445 1.192 1.00 12.20 H new ATOM 0 HA LYS A 73 -4.083 -10.353 1.239 1.00 75.12 H new ATOM 0 HB2 LYS A 73 -5.770 -8.495 -0.496 1.00 63.43 H new ATOM 0 HB3 LYS A 73 -5.676 -10.225 -0.758 1.00 63.43 H new ATOM 0 HG2 LYS A 73 -6.590 -10.663 1.494 1.00 51.51 H new ATOM 0 HG3 LYS A 73 -6.573 -8.952 1.870 1.00 51.51 H new ATOM 0 HD2 LYS A 73 -8.849 -9.517 1.354 1.00 14.41 H new ATOM 0 HD3 LYS A 73 -8.250 -8.583 -0.002 1.00 14.41 H new ATOM 0 HE2 LYS A 73 -7.834 -10.694 -1.269 1.00 1.52 H new ATOM 0 HE3 LYS A 73 -8.441 -11.625 0.086 1.00 1.52 H new ATOM 0 HZ1 LYS A 73 -10.136 -11.313 -1.592 1.00 50.14 H new ATOM 0 HZ2 LYS A 73 -10.590 -10.527 -0.157 1.00 50.14 H new ATOM 0 HZ3 LYS A 73 -10.002 -9.625 -1.470 1.00 50.14 H new ATOM 1189 N ALA A 74 -2.558 -8.394 -0.898 1.00 13.52 N ATOM 1190 CA ALA A 74 -1.563 -8.336 -1.991 1.00 41.31 C ATOM 1191 C ALA A 74 -0.120 -8.458 -1.463 1.00 32.53 C ATOM 1192 O ALA A 74 0.727 -9.030 -2.141 1.00 22.13 O ATOM 1193 CB ALA A 74 -1.747 -7.051 -2.827 1.00 1.42 C ATOM 0 H ALA A 74 -2.783 -7.486 -0.492 1.00 13.52 H new ATOM 0 HA ALA A 74 -1.737 -9.194 -2.640 1.00 41.31 H new ATOM 0 HB1 ALA A 74 -1.006 -7.027 -3.626 1.00 1.42 H new ATOM 0 HB2 ALA A 74 -2.747 -7.039 -3.260 1.00 1.42 H new ATOM 0 HB3 ALA A 74 -1.618 -6.179 -2.186 1.00 1.42 H new ATOM 1199 N LEU A 75 0.167 -7.945 -0.246 1.00 3.12 N ATOM 1200 CA LEU A 75 1.566 -7.887 0.267 1.00 64.05 C ATOM 1201 C LEU A 75 1.890 -9.059 1.213 1.00 54.31 C ATOM 1202 O LEU A 75 3.052 -9.472 1.276 1.00 24.35 O ATOM 1203 CB LEU A 75 1.906 -6.517 0.963 1.00 25.31 C ATOM 1204 CG LEU A 75 1.550 -5.166 0.216 1.00 12.25 C ATOM 1205 CD1 LEU A 75 2.117 -3.942 0.973 1.00 11.12 C ATOM 1206 CD2 LEU A 75 1.975 -5.141 -1.275 1.00 54.21 C ATOM 0 H LEU A 75 -0.533 -7.570 0.394 1.00 3.12 H new ATOM 0 HA LEU A 75 2.200 -7.975 -0.615 1.00 64.05 H new ATOM 0 HB2 LEU A 75 1.398 -6.503 1.927 1.00 25.31 H new ATOM 0 HB3 LEU A 75 2.977 -6.508 1.166 1.00 25.31 H new ATOM 0 HG LEU A 75 0.461 -5.109 0.217 1.00 12.25 H new ATOM 0 HD11 LEU A 75 1.857 -3.030 0.436 1.00 11.12 H new ATOM 0 HD12 LEU A 75 1.693 -3.906 1.976 1.00 11.12 H new ATOM 0 HD13 LEU A 75 3.202 -4.026 1.040 1.00 11.12 H new ATOM 0 HD21 LEU A 75 1.697 -4.184 -1.717 1.00 54.21 H new ATOM 0 HD22 LEU A 75 3.054 -5.275 -1.348 1.00 54.21 H new ATOM 0 HD23 LEU A 75 1.473 -5.947 -1.810 1.00 54.21 H new ATOM 1218 N THR A 76 0.880 -9.601 1.940 1.00 13.33 N ATOM 1219 CA THR A 76 1.110 -10.739 2.869 1.00 65.21 C ATOM 1220 C THR A 76 1.596 -12.032 2.142 1.00 45.12 C ATOM 1221 O THR A 76 2.589 -12.609 2.596 1.00 42.20 O ATOM 1222 CB THR A 76 -0.126 -11.027 3.801 1.00 0.34 C ATOM 1223 OG1 THR A 76 -0.322 -9.901 4.651 1.00 24.01 O ATOM 1224 CG2 THR A 76 0.018 -12.308 4.659 1.00 32.01 C ATOM 0 H THR A 76 -0.086 -9.276 1.903 1.00 13.33 H new ATOM 0 HA THR A 76 1.926 -10.419 3.517 1.00 65.21 H new ATOM 0 HB THR A 76 -0.985 -11.197 3.152 1.00 0.34 H new ATOM 0 HG1 THR A 76 -1.082 -9.375 4.327 1.00 24.01 H new ATOM 0 HG21 THR A 76 -0.873 -12.437 5.273 1.00 32.01 H new ATOM 0 HG22 THR A 76 0.136 -13.172 4.005 1.00 32.01 H new ATOM 0 HG23 THR A 76 0.893 -12.218 5.303 1.00 32.01 H new ATOM 1232 N PRO A 77 0.963 -12.528 1.001 1.00 20.01 N ATOM 1233 CA PRO A 77 1.475 -13.737 0.295 1.00 13.22 C ATOM 1234 C PRO A 77 2.883 -13.524 -0.307 1.00 61.13 C ATOM 1235 O PRO A 77 3.687 -14.465 -0.359 1.00 12.24 O ATOM 1236 CB PRO A 77 0.417 -14.020 -0.807 1.00 42.20 C ATOM 1237 CG PRO A 77 -0.795 -13.257 -0.371 1.00 62.35 C ATOM 1238 CD PRO A 77 -0.265 -12.022 0.321 1.00 15.25 C ATOM 0 HA PRO A 77 1.599 -14.576 0.979 1.00 13.22 H new ATOM 0 HB2 PRO A 77 0.764 -13.687 -1.785 1.00 42.20 H new ATOM 0 HB3 PRO A 77 0.206 -15.086 -0.890 1.00 42.20 H new ATOM 0 HG2 PRO A 77 -1.420 -12.992 -1.224 1.00 62.35 H new ATOM 0 HG3 PRO A 77 -1.412 -13.851 0.303 1.00 62.35 H new ATOM 0 HD2 PRO A 77 -0.036 -11.227 -0.389 1.00 15.25 H new ATOM 0 HD3 PRO A 77 -0.984 -11.617 1.033 1.00 15.25 H new ATOM 1246 N LEU A 78 3.182 -12.273 -0.739 1.00 51.24 N ATOM 1247 CA LEU A 78 4.523 -11.920 -1.278 1.00 51.23 C ATOM 1248 C LEU A 78 5.574 -11.878 -0.149 1.00 13.55 C ATOM 1249 O LEU A 78 6.757 -12.147 -0.393 1.00 2.25 O ATOM 1250 CB LEU A 78 4.549 -10.555 -2.058 1.00 50.23 C ATOM 1251 CG LEU A 78 3.496 -10.349 -3.221 1.00 64.40 C ATOM 1252 CD1 LEU A 78 3.635 -8.964 -3.913 1.00 42.30 C ATOM 1253 CD2 LEU A 78 3.533 -11.474 -4.288 1.00 41.51 C ATOM 0 H LEU A 78 2.520 -11.497 -0.726 1.00 51.24 H new ATOM 0 HA LEU A 78 4.766 -12.706 -1.992 1.00 51.23 H new ATOM 0 HB2 LEU A 78 4.409 -9.753 -1.334 1.00 50.23 H new ATOM 0 HB3 LEU A 78 5.545 -10.431 -2.482 1.00 50.23 H new ATOM 0 HG LEU A 78 2.526 -10.393 -2.725 1.00 64.40 H new ATOM 0 HD11 LEU A 78 2.889 -8.875 -4.703 1.00 42.30 H new ATOM 0 HD12 LEU A 78 3.482 -8.173 -3.179 1.00 42.30 H new ATOM 0 HD13 LEU A 78 4.632 -8.871 -4.344 1.00 42.30 H new ATOM 0 HD21 LEU A 78 2.787 -11.272 -5.056 1.00 41.51 H new ATOM 0 HD22 LEU A 78 4.522 -11.511 -4.744 1.00 41.51 H new ATOM 0 HD23 LEU A 78 3.316 -12.432 -3.815 1.00 41.51 H new ATOM 1265 N ALA A 79 5.131 -11.522 1.075 1.00 43.13 N ATOM 1266 CA ALA A 79 5.982 -11.551 2.280 1.00 74.03 C ATOM 1267 C ALA A 79 6.345 -13.002 2.628 1.00 35.21 C ATOM 1268 O ALA A 79 7.515 -13.327 2.830 1.00 11.25 O ATOM 1269 CB ALA A 79 5.277 -10.860 3.462 1.00 14.04 C ATOM 0 H ALA A 79 4.177 -11.208 1.254 1.00 43.13 H new ATOM 0 HA ALA A 79 6.901 -11.002 2.076 1.00 74.03 H new ATOM 0 HB1 ALA A 79 5.922 -10.893 4.340 1.00 14.04 H new ATOM 0 HB2 ALA A 79 5.068 -9.822 3.204 1.00 14.04 H new ATOM 0 HB3 ALA A 79 4.342 -11.376 3.680 1.00 14.04 H new ATOM 1275 N ILE A 80 5.323 -13.879 2.598 1.00 24.42 N ATOM 1276 CA ILE A 80 5.473 -15.318 2.910 1.00 13.43 C ATOM 1277 C ILE A 80 6.371 -16.005 1.849 1.00 15.13 C ATOM 1278 O ILE A 80 7.154 -16.904 2.166 1.00 32.33 O ATOM 1279 CB ILE A 80 4.063 -16.039 2.994 1.00 4.32 C ATOM 1280 CG1 ILE A 80 3.150 -15.361 4.078 1.00 22.21 C ATOM 1281 CG2 ILE A 80 4.212 -17.566 3.262 1.00 54.14 C ATOM 1282 CD1 ILE A 80 1.712 -15.857 4.085 1.00 63.33 C ATOM 0 H ILE A 80 4.369 -13.612 2.357 1.00 24.42 H new ATOM 0 HA ILE A 80 5.950 -15.404 3.886 1.00 13.43 H new ATOM 0 HB ILE A 80 3.579 -15.926 2.024 1.00 4.32 H new ATOM 0 HG12 ILE A 80 3.586 -15.533 5.062 1.00 22.21 H new ATOM 0 HG13 ILE A 80 3.149 -14.284 3.913 1.00 22.21 H new ATOM 0 HG21 ILE A 80 3.224 -18.025 3.313 1.00 54.14 H new ATOM 0 HG22 ILE A 80 4.783 -18.023 2.454 1.00 54.14 H new ATOM 0 HG23 ILE A 80 4.733 -17.720 4.207 1.00 54.14 H new ATOM 0 HD11 ILE A 80 1.152 -15.338 4.863 1.00 63.33 H new ATOM 0 HD12 ILE A 80 1.255 -15.660 3.115 1.00 63.33 H new ATOM 0 HD13 ILE A 80 1.698 -16.929 4.282 1.00 63.33 H new ATOM 1294 N ASN A 81 6.270 -15.535 0.592 1.00 21.11 N ATOM 1295 CA ASN A 81 7.100 -16.039 -0.520 1.00 21.12 C ATOM 1296 C ASN A 81 8.474 -15.324 -0.545 1.00 54.31 C ATOM 1297 O ASN A 81 9.362 -15.723 -1.303 1.00 50.54 O ATOM 1298 CB ASN A 81 6.343 -15.890 -1.874 1.00 15.24 C ATOM 1299 CG ASN A 81 6.936 -16.754 -3.002 1.00 3.31 C ATOM 1300 OD1 ASN A 81 7.573 -17.779 -2.756 1.00 32.12 O ATOM 1301 ND2 ASN A 81 6.675 -16.400 -4.238 1.00 52.22 N ATOM 0 H ASN A 81 5.616 -14.801 0.319 1.00 21.11 H new ATOM 0 HA ASN A 81 7.290 -17.101 -0.364 1.00 21.12 H new ATOM 0 HB2 ASN A 81 5.297 -16.162 -1.729 1.00 15.24 H new ATOM 0 HB3 ASN A 81 6.361 -14.844 -2.179 1.00 15.24 H new ATOM 0 HD21 ASN A 81 7.001 -16.977 -5.013 1.00 52.22 H new ATOM 0 HD22 ASN A 81 6.146 -15.548 -4.424 1.00 52.22 H new ATOM 1308 N ARG A 82 8.616 -14.263 0.289 1.00 2.33 N ATOM 1309 CA ARG A 82 9.907 -13.590 0.568 1.00 52.40 C ATOM 1310 C ARG A 82 10.466 -12.890 -0.698 1.00 14.53 C ATOM 1311 O ARG A 82 11.577 -13.187 -1.144 1.00 73.24 O ATOM 1312 CB ARG A 82 10.963 -14.590 1.185 1.00 31.24 C ATOM 1313 CG ARG A 82 10.535 -15.305 2.500 1.00 51.31 C ATOM 1314 CD ARG A 82 11.579 -16.329 3.006 1.00 43.12 C ATOM 1315 NE ARG A 82 11.115 -17.032 4.220 1.00 71.41 N ATOM 1316 CZ ARG A 82 11.632 -18.178 4.705 1.00 31.14 C ATOM 1317 NH1 ARG A 82 12.667 -18.776 4.105 1.00 23.10 N ATOM 1318 NH2 ARG A 82 11.133 -18.707 5.814 1.00 42.53 N ATOM 0 H ARG A 82 7.830 -13.848 0.790 1.00 2.33 H new ATOM 0 HA ARG A 82 9.715 -12.818 1.313 1.00 52.40 H new ATOM 0 HB2 ARG A 82 11.193 -15.351 0.439 1.00 31.24 H new ATOM 0 HB3 ARG A 82 11.885 -14.042 1.376 1.00 31.24 H new ATOM 0 HG2 ARG A 82 10.365 -14.557 3.274 1.00 51.31 H new ATOM 0 HG3 ARG A 82 9.586 -15.815 2.336 1.00 51.31 H new ATOM 0 HD2 ARG A 82 11.784 -17.057 2.221 1.00 43.12 H new ATOM 0 HD3 ARG A 82 12.517 -15.816 3.219 1.00 43.12 H new ATOM 0 HE ARG A 82 10.339 -16.615 4.734 1.00 71.41 H new ATOM 0 HH11 ARG A 82 13.078 -18.365 3.267 1.00 23.10 H new ATOM 0 HH12 ARG A 82 13.046 -19.643 4.486 1.00 23.10 H new ATOM 0 HH21 ARG A 82 10.361 -18.247 6.296 1.00 42.53 H new ATOM 0 HH22 ARG A 82 11.521 -19.574 6.185 1.00 42.53 H new ATOM 1332 N THR A 83 9.669 -11.976 -1.286 1.00 64.15 N ATOM 1333 CA THR A 83 10.100 -11.190 -2.468 1.00 35.44 C ATOM 1334 C THR A 83 9.625 -9.720 -2.392 1.00 34.30 C ATOM 1335 O THR A 83 9.854 -8.950 -3.333 1.00 72.22 O ATOM 1336 CB THR A 83 9.610 -11.866 -3.800 1.00 25.33 C ATOM 1337 OG1 THR A 83 10.283 -11.309 -4.953 1.00 50.10 O ATOM 1338 CG2 THR A 83 8.092 -11.740 -3.980 1.00 61.42 C ATOM 0 H THR A 83 8.725 -11.761 -0.965 1.00 64.15 H new ATOM 0 HA THR A 83 11.190 -11.179 -2.466 1.00 35.44 H new ATOM 0 HB THR A 83 9.861 -12.924 -3.721 1.00 25.33 H new ATOM 0 HG1 THR A 83 10.397 -10.343 -4.831 1.00 50.10 H new ATOM 0 HG21 THR A 83 7.795 -12.220 -4.912 1.00 61.42 H new ATOM 0 HG22 THR A 83 7.585 -12.224 -3.145 1.00 61.42 H new ATOM 0 HG23 THR A 83 7.815 -10.686 -4.010 1.00 61.42 H new ATOM 1346 N LEU A 84 8.963 -9.331 -1.281 1.00 51.01 N ATOM 1347 CA LEU A 84 8.582 -7.925 -1.053 1.00 44.31 C ATOM 1348 C LEU A 84 9.859 -7.102 -0.813 1.00 52.43 C ATOM 1349 O LEU A 84 10.743 -7.548 -0.070 1.00 35.21 O ATOM 1350 CB LEU A 84 7.605 -7.804 0.159 1.00 13.52 C ATOM 1351 CG LEU A 84 7.008 -6.374 0.467 1.00 73.21 C ATOM 1352 CD1 LEU A 84 5.778 -6.049 -0.407 1.00 72.14 C ATOM 1353 CD2 LEU A 84 6.679 -6.213 1.966 1.00 71.53 C ATOM 0 H LEU A 84 8.684 -9.968 -0.534 1.00 51.01 H new ATOM 0 HA LEU A 84 8.060 -7.541 -1.929 1.00 44.31 H new ATOM 0 HB2 LEU A 84 6.773 -8.488 -0.008 1.00 13.52 H new ATOM 0 HB3 LEU A 84 8.128 -8.150 1.050 1.00 13.52 H new ATOM 0 HG LEU A 84 7.782 -5.651 0.210 1.00 73.21 H new ATOM 0 HD11 LEU A 84 5.406 -5.056 -0.156 1.00 72.14 H new ATOM 0 HD12 LEU A 84 6.062 -6.075 -1.459 1.00 72.14 H new ATOM 0 HD13 LEU A 84 4.996 -6.786 -0.224 1.00 72.14 H new ATOM 0 HD21 LEU A 84 6.270 -5.218 2.144 1.00 71.53 H new ATOM 0 HD22 LEU A 84 5.946 -6.964 2.260 1.00 71.53 H new ATOM 0 HD23 LEU A 84 7.588 -6.342 2.554 1.00 71.53 H new ATOM 1365 N ASN A 85 9.953 -5.916 -1.443 1.00 4.03 N ATOM 1366 CA ASN A 85 11.190 -5.068 -1.378 1.00 12.45 C ATOM 1367 C ASN A 85 11.451 -4.604 0.067 1.00 64.33 C ATOM 1368 O ASN A 85 12.588 -4.269 0.421 1.00 34.35 O ATOM 1369 CB ASN A 85 11.159 -3.827 -2.334 1.00 64.20 C ATOM 1370 CG ASN A 85 12.528 -3.121 -2.432 1.00 74.11 C ATOM 1371 OD1 ASN A 85 13.585 -3.742 -2.300 1.00 2.02 O ATOM 1372 ND2 ASN A 85 12.523 -1.838 -2.688 1.00 52.12 N ATOM 0 H ASN A 85 9.201 -5.513 -2.002 1.00 4.03 H new ATOM 0 HA ASN A 85 12.004 -5.706 -1.722 1.00 12.45 H new ATOM 0 HB2 ASN A 85 10.847 -4.146 -3.328 1.00 64.20 H new ATOM 0 HB3 ASN A 85 10.412 -3.117 -1.978 1.00 64.20 H new ATOM 0 HD21 ASN A 85 13.404 -1.333 -2.782 1.00 52.12 H new ATOM 0 HD22 ASN A 85 11.638 -1.342 -2.794 1.00 52.12 H new ATOM 1379 N HIS A 86 10.366 -4.545 0.874 1.00 21.15 N ATOM 1380 CA HIS A 86 10.430 -4.412 2.347 1.00 14.14 C ATOM 1381 C HIS A 86 10.856 -2.985 2.785 1.00 52.24 C ATOM 1382 O HIS A 86 10.949 -2.697 3.980 1.00 74.35 O ATOM 1383 CB HIS A 86 11.368 -5.525 2.919 1.00 35.52 C ATOM 1384 CG HIS A 86 11.511 -5.571 4.408 1.00 72.45 C ATOM 1385 ND1 HIS A 86 12.534 -4.934 5.083 1.00 54.12 N ATOM 1386 CD2 HIS A 86 10.769 -6.184 5.351 1.00 73.12 C ATOM 1387 CE1 HIS A 86 12.416 -5.165 6.371 1.00 31.55 C ATOM 1388 NE2 HIS A 86 11.355 -5.916 6.557 1.00 54.13 N ATOM 0 H HIS A 86 9.412 -4.589 0.516 1.00 21.15 H new ATOM 0 HA HIS A 86 9.433 -4.553 2.764 1.00 14.14 H new ATOM 0 HB2 HIS A 86 10.997 -6.492 2.581 1.00 35.52 H new ATOM 0 HB3 HIS A 86 12.359 -5.394 2.484 1.00 35.52 H new ATOM 0 HD2 HIS A 86 9.880 -6.775 5.186 1.00 73.12 H new ATOM 0 HE1 HIS A 86 13.077 -4.800 7.143 1.00 31.55 H new ATOM 0 HE2 HIS A 86 11.020 -6.248 7.461 1.00 54.13 H new ATOM 1397 N ASP A 87 11.072 -2.070 1.816 1.00 4.24 N ATOM 1398 CA ASP A 87 11.561 -0.703 2.116 1.00 12.52 C ATOM 1399 C ASP A 87 10.398 0.217 2.590 1.00 35.21 C ATOM 1400 O ASP A 87 10.628 1.339 3.040 1.00 41.15 O ATOM 1401 CB ASP A 87 12.365 -0.119 0.907 1.00 2.12 C ATOM 1402 CG ASP A 87 13.011 1.250 1.210 1.00 44.12 C ATOM 1403 OD1 ASP A 87 14.063 1.289 1.884 1.00 22.40 O ATOM 1404 OD2 ASP A 87 12.482 2.283 0.763 1.00 71.03 O ATOM 0 H ASP A 87 10.917 -2.250 0.824 1.00 4.24 H new ATOM 0 HA ASP A 87 12.261 -0.755 2.950 1.00 12.52 H new ATOM 0 HB2 ASP A 87 13.144 -0.826 0.622 1.00 2.12 H new ATOM 0 HB3 ASP A 87 11.698 -0.017 0.051 1.00 2.12 H new ATOM 1409 N LEU A 88 9.147 -0.300 2.553 1.00 10.01 N ATOM 1410 CA LEU A 88 7.980 0.329 3.225 1.00 52.20 C ATOM 1411 C LEU A 88 7.364 -0.689 4.194 1.00 12.24 C ATOM 1412 O LEU A 88 6.137 -0.780 4.336 1.00 14.11 O ATOM 1413 CB LEU A 88 6.901 0.912 2.244 1.00 42.22 C ATOM 1414 CG LEU A 88 6.511 0.061 0.975 1.00 32.40 C ATOM 1415 CD1 LEU A 88 5.018 0.241 0.612 1.00 53.30 C ATOM 1416 CD2 LEU A 88 7.404 0.445 -0.228 1.00 0.04 C ATOM 0 H LEU A 88 8.917 -1.162 2.059 1.00 10.01 H new ATOM 0 HA LEU A 88 8.349 1.200 3.767 1.00 52.20 H new ATOM 0 HB2 LEU A 88 5.991 1.091 2.817 1.00 42.22 H new ATOM 0 HB3 LEU A 88 7.256 1.883 1.898 1.00 42.22 H new ATOM 0 HG LEU A 88 6.674 -0.989 1.216 1.00 32.40 H new ATOM 0 HD11 LEU A 88 4.782 -0.359 -0.267 1.00 53.30 H new ATOM 0 HD12 LEU A 88 4.399 -0.082 1.449 1.00 53.30 H new ATOM 0 HD13 LEU A 88 4.820 1.291 0.398 1.00 53.30 H new ATOM 0 HD21 LEU A 88 7.122 -0.151 -1.096 1.00 0.04 H new ATOM 0 HD22 LEU A 88 7.272 1.503 -0.456 1.00 0.04 H new ATOM 0 HD23 LEU A 88 8.449 0.255 0.019 1.00 0.04 H new ATOM 1428 N SER A 89 8.245 -1.435 4.889 1.00 42.15 N ATOM 1429 CA SER A 89 7.841 -2.389 5.936 1.00 64.53 C ATOM 1430 C SER A 89 7.018 -1.691 7.044 1.00 74.24 C ATOM 1431 O SER A 89 6.114 -2.297 7.628 1.00 52.23 O ATOM 1432 CB SER A 89 9.079 -3.068 6.547 1.00 50.02 C ATOM 1433 OG SER A 89 10.011 -2.120 7.038 1.00 72.25 O ATOM 0 H SER A 89 9.253 -1.392 4.740 1.00 42.15 H new ATOM 0 HA SER A 89 7.210 -3.147 5.472 1.00 64.53 H new ATOM 0 HB2 SER A 89 8.769 -3.727 7.358 1.00 50.02 H new ATOM 0 HB3 SER A 89 9.559 -3.693 5.794 1.00 50.02 H new ATOM 0 HG SER A 89 10.783 -2.588 7.420 1.00 72.25 H new ATOM 1439 N GLU A 90 7.323 -0.396 7.291 1.00 71.24 N ATOM 1440 CA GLU A 90 6.606 0.420 8.283 1.00 44.41 C ATOM 1441 C GLU A 90 5.135 0.659 7.860 1.00 3.24 C ATOM 1442 O GLU A 90 4.282 0.790 8.717 1.00 42.21 O ATOM 1443 CB GLU A 90 7.343 1.772 8.531 1.00 4.40 C ATOM 1444 CG GLU A 90 6.706 2.655 9.634 1.00 33.22 C ATOM 1445 CD GLU A 90 7.395 4.013 9.803 1.00 65.21 C ATOM 1446 OE1 GLU A 90 8.335 4.128 10.614 1.00 35.24 O ATOM 1447 OE2 GLU A 90 6.993 4.978 9.122 1.00 11.52 O ATOM 0 H GLU A 90 8.069 0.105 6.809 1.00 71.24 H new ATOM 0 HA GLU A 90 6.594 -0.135 9.221 1.00 44.41 H new ATOM 0 HB2 GLU A 90 8.378 1.563 8.802 1.00 4.40 H new ATOM 0 HB3 GLU A 90 7.365 2.336 7.599 1.00 4.40 H new ATOM 0 HG2 GLU A 90 5.655 2.817 9.397 1.00 33.22 H new ATOM 0 HG3 GLU A 90 6.740 2.119 10.582 1.00 33.22 H new ATOM 1454 N LEU A 91 4.855 0.675 6.534 1.00 35.23 N ATOM 1455 CA LEU A 91 3.476 0.830 5.985 1.00 20.30 C ATOM 1456 C LEU A 91 2.665 -0.454 6.289 1.00 63.55 C ATOM 1457 O LEU A 91 1.476 -0.398 6.658 1.00 30.14 O ATOM 1458 CB LEU A 91 3.557 1.136 4.440 1.00 71.30 C ATOM 1459 CG LEU A 91 2.274 1.702 3.699 1.00 45.23 C ATOM 1460 CD1 LEU A 91 1.177 0.636 3.444 1.00 33.42 C ATOM 1461 CD2 LEU A 91 1.691 2.934 4.436 1.00 11.10 C ATOM 0 H LEU A 91 5.572 0.582 5.814 1.00 35.23 H new ATOM 0 HA LEU A 91 2.963 1.668 6.456 1.00 20.30 H new ATOM 0 HB2 LEU A 91 4.366 1.850 4.288 1.00 71.30 H new ATOM 0 HB3 LEU A 91 3.847 0.214 3.937 1.00 71.30 H new ATOM 0 HG LEU A 91 2.621 2.017 2.715 1.00 45.23 H new ATOM 0 HD11 LEU A 91 0.332 1.098 2.934 1.00 33.42 H new ATOM 0 HD12 LEU A 91 1.583 -0.162 2.823 1.00 33.42 H new ATOM 0 HD13 LEU A 91 0.844 0.222 4.396 1.00 33.42 H new ATOM 0 HD21 LEU A 91 0.813 3.296 3.901 1.00 11.10 H new ATOM 0 HD22 LEU A 91 1.407 2.651 5.450 1.00 11.10 H new ATOM 0 HD23 LEU A 91 2.442 3.723 4.476 1.00 11.10 H new ATOM 1473 N TYR A 92 3.355 -1.606 6.177 1.00 62.23 N ATOM 1474 CA TYR A 92 2.781 -2.926 6.471 1.00 5.32 C ATOM 1475 C TYR A 92 2.493 -3.057 7.986 1.00 54.04 C ATOM 1476 O TYR A 92 1.499 -3.667 8.389 1.00 11.43 O ATOM 1477 CB TYR A 92 3.753 -4.032 5.994 1.00 54.24 C ATOM 1478 CG TYR A 92 3.239 -5.469 6.137 1.00 50.12 C ATOM 1479 CD1 TYR A 92 2.044 -5.871 5.536 1.00 42.24 C ATOM 1480 CD2 TYR A 92 3.965 -6.434 6.845 1.00 11.22 C ATOM 1481 CE1 TYR A 92 1.594 -7.170 5.635 1.00 74.04 C ATOM 1482 CE2 TYR A 92 3.515 -7.733 6.952 1.00 53.03 C ATOM 1483 CZ TYR A 92 2.330 -8.098 6.343 1.00 53.21 C ATOM 1484 OH TYR A 92 1.891 -9.403 6.435 1.00 33.23 O ATOM 0 H TYR A 92 4.330 -1.643 5.879 1.00 62.23 H new ATOM 0 HA TYR A 92 1.837 -3.039 5.938 1.00 5.32 H new ATOM 0 HB2 TYR A 92 3.993 -3.853 4.946 1.00 54.24 H new ATOM 0 HB3 TYR A 92 4.683 -3.940 6.554 1.00 54.24 H new ATOM 0 HD1 TYR A 92 1.461 -5.150 4.983 1.00 42.24 H new ATOM 0 HD2 TYR A 92 4.896 -6.156 7.317 1.00 11.22 H new ATOM 0 HE1 TYR A 92 0.669 -7.461 5.160 1.00 74.04 H new ATOM 0 HE2 TYR A 92 4.086 -8.461 7.509 1.00 53.03 H new ATOM 0 HH TYR A 92 1.140 -9.540 5.820 1.00 33.23 H new ATOM 1494 N LYS A 93 3.379 -2.443 8.806 1.00 61.15 N ATOM 1495 CA LYS A 93 3.235 -2.380 10.275 1.00 35.42 C ATOM 1496 C LYS A 93 2.154 -1.356 10.663 1.00 23.45 C ATOM 1497 O LYS A 93 1.465 -1.518 11.664 1.00 61.02 O ATOM 1498 CB LYS A 93 4.601 -1.999 10.926 1.00 72.45 C ATOM 1499 CG LYS A 93 4.611 -2.009 12.475 1.00 13.24 C ATOM 1500 CD LYS A 93 5.998 -1.678 13.071 1.00 35.33 C ATOM 1501 CE LYS A 93 6.462 -0.240 12.775 1.00 50.23 C ATOM 1502 NZ LYS A 93 5.553 0.783 13.354 1.00 51.15 N ATOM 0 H LYS A 93 4.218 -1.976 8.462 1.00 61.15 H new ATOM 0 HA LYS A 93 2.930 -3.360 10.642 1.00 35.42 H new ATOM 0 HB2 LYS A 93 5.363 -2.691 10.568 1.00 72.45 H new ATOM 0 HB3 LYS A 93 4.886 -1.005 10.582 1.00 72.45 H new ATOM 0 HG2 LYS A 93 3.882 -1.287 12.842 1.00 13.24 H new ATOM 0 HG3 LYS A 93 4.294 -2.990 12.829 1.00 13.24 H new ATOM 0 HD2 LYS A 93 5.967 -1.827 14.150 1.00 35.33 H new ATOM 0 HD3 LYS A 93 6.733 -2.378 12.674 1.00 35.33 H new ATOM 0 HE2 LYS A 93 7.466 -0.096 13.174 1.00 50.23 H new ATOM 0 HE3 LYS A 93 6.524 -0.097 11.696 1.00 50.23 H new ATOM 0 HZ1 LYS A 93 5.970 1.728 13.230 1.00 51.15 H new ATOM 0 HZ2 LYS A 93 4.633 0.744 12.870 1.00 51.15 H new ATOM 0 HZ3 LYS A 93 5.419 0.594 14.368 1.00 51.15 H new ATOM 1516 N PHE A 94 2.013 -0.324 9.822 1.00 44.44 N ATOM 1517 CA PHE A 94 1.098 0.812 10.028 1.00 53.34 C ATOM 1518 C PHE A 94 -0.367 0.345 9.992 1.00 63.12 C ATOM 1519 O PHE A 94 -1.119 0.573 10.951 1.00 1.44 O ATOM 1520 CB PHE A 94 1.407 1.884 8.940 1.00 54.42 C ATOM 1521 CG PHE A 94 0.673 3.210 9.032 1.00 33.34 C ATOM 1522 CD1 PHE A 94 -0.509 3.432 8.323 1.00 41.12 C ATOM 1523 CD2 PHE A 94 1.185 4.254 9.801 1.00 51.14 C ATOM 1524 CE1 PHE A 94 -1.142 4.653 8.378 1.00 44.22 C ATOM 1525 CE2 PHE A 94 0.546 5.470 9.856 1.00 2.54 C ATOM 1526 CZ PHE A 94 -0.620 5.668 9.148 1.00 61.42 C ATOM 0 H PHE A 94 2.545 -0.252 8.955 1.00 44.44 H new ATOM 0 HA PHE A 94 1.250 1.254 11.013 1.00 53.34 H new ATOM 0 HB2 PHE A 94 2.477 2.090 8.965 1.00 54.42 H new ATOM 0 HB3 PHE A 94 1.190 1.446 7.966 1.00 54.42 H new ATOM 0 HD1 PHE A 94 -0.931 2.638 7.725 1.00 41.12 H new ATOM 0 HD2 PHE A 94 2.096 4.105 10.361 1.00 51.14 H new ATOM 0 HE1 PHE A 94 -2.050 4.815 7.816 1.00 44.22 H new ATOM 0 HE2 PHE A 94 0.957 6.270 10.454 1.00 2.54 H new ATOM 0 HZ PHE A 94 -1.125 6.621 9.197 1.00 61.42 H new ATOM 1536 N ILE A 95 -0.747 -0.389 8.917 1.00 75.31 N ATOM 1537 CA ILE A 95 -2.154 -0.848 8.735 1.00 24.25 C ATOM 1538 C ILE A 95 -2.544 -1.985 9.726 1.00 63.53 C ATOM 1539 O ILE A 95 -3.711 -2.397 9.776 1.00 41.33 O ATOM 1540 CB ILE A 95 -2.482 -1.242 7.233 1.00 51.55 C ATOM 1541 CG1 ILE A 95 -1.922 -2.655 6.823 1.00 34.44 C ATOM 1542 CG2 ILE A 95 -2.023 -0.119 6.265 1.00 13.44 C ATOM 1543 CD1 ILE A 95 -1.982 -2.965 5.330 1.00 4.42 C ATOM 0 H ILE A 95 -0.112 -0.674 8.171 1.00 75.31 H new ATOM 0 HA ILE A 95 -2.778 0.012 8.977 1.00 24.25 H new ATOM 0 HB ILE A 95 -3.565 -1.336 7.154 1.00 51.55 H new ATOM 0 HG12 ILE A 95 -0.885 -2.728 7.152 1.00 34.44 H new ATOM 0 HG13 ILE A 95 -2.482 -3.421 7.360 1.00 34.44 H new ATOM 0 HG21 ILE A 95 -2.255 -0.405 5.239 1.00 13.44 H new ATOM 0 HG22 ILE A 95 -2.543 0.807 6.510 1.00 13.44 H new ATOM 0 HG23 ILE A 95 -0.948 0.031 6.365 1.00 13.44 H new ATOM 0 HD11 ILE A 95 -1.574 -3.959 5.148 1.00 4.42 H new ATOM 0 HD12 ILE A 95 -3.018 -2.931 4.993 1.00 4.42 H new ATOM 0 HD13 ILE A 95 -1.397 -2.227 4.781 1.00 4.42 H new ATOM 1555 N THR A 96 -1.561 -2.463 10.526 1.00 2.33 N ATOM 1556 CA THR A 96 -1.780 -3.478 11.580 1.00 2.41 C ATOM 1557 C THR A 96 -1.570 -2.880 12.983 1.00 15.11 C ATOM 1558 O THR A 96 -2.000 -3.480 13.977 1.00 53.40 O ATOM 1559 CB THR A 96 -0.826 -4.714 11.405 1.00 45.02 C ATOM 1560 OG1 THR A 96 0.500 -4.271 11.092 1.00 71.05 O ATOM 1561 CG2 THR A 96 -1.298 -5.689 10.320 1.00 51.35 C ATOM 0 H THR A 96 -0.592 -2.153 10.457 1.00 2.33 H new ATOM 0 HA THR A 96 -2.813 -3.811 11.479 1.00 2.41 H new ATOM 0 HB THR A 96 -0.838 -5.250 12.354 1.00 45.02 H new ATOM 0 HG1 THR A 96 0.586 -4.157 10.123 1.00 71.05 H new ATOM 0 HG21 THR A 96 -0.597 -6.521 10.248 1.00 51.35 H new ATOM 0 HG22 THR A 96 -2.287 -6.069 10.577 1.00 51.35 H new ATOM 0 HG23 THR A 96 -1.347 -5.171 9.362 1.00 51.35 H new ATOM 1569 N SER A 97 -0.931 -1.697 13.060 1.00 61.24 N ATOM 1570 CA SER A 97 -0.494 -1.115 14.333 1.00 61.25 C ATOM 1571 C SER A 97 -0.101 0.357 14.119 1.00 2.51 C ATOM 1572 O SER A 97 1.005 0.658 13.654 1.00 53.04 O ATOM 1573 CB SER A 97 0.687 -1.934 14.924 1.00 12.13 C ATOM 1574 OG SER A 97 1.073 -1.440 16.200 1.00 34.54 O ATOM 0 H SER A 97 -0.707 -1.126 12.245 1.00 61.24 H new ATOM 0 HA SER A 97 -1.314 -1.153 15.050 1.00 61.25 H new ATOM 0 HB2 SER A 97 0.398 -2.982 15.010 1.00 12.13 H new ATOM 0 HB3 SER A 97 1.537 -1.892 14.243 1.00 12.13 H new ATOM 0 HG SER A 97 1.817 -1.976 16.547 1.00 34.54 H new ATOM 1580 N SER A 98 -1.051 1.249 14.422 1.00 71.53 N ATOM 1581 CA SER A 98 -0.895 2.714 14.344 1.00 2.52 C ATOM 1582 C SER A 98 -2.183 3.333 14.893 1.00 2.34 C ATOM 1583 O SER A 98 -2.180 4.111 15.854 1.00 71.44 O ATOM 1584 CB SER A 98 -0.655 3.183 12.880 1.00 23.32 C ATOM 1585 OG SER A 98 -0.554 4.594 12.771 1.00 55.15 O ATOM 0 H SER A 98 -1.979 0.967 14.738 1.00 71.53 H new ATOM 0 HA SER A 98 -0.027 3.028 14.924 1.00 2.52 H new ATOM 0 HB2 SER A 98 0.259 2.726 12.501 1.00 23.32 H new ATOM 0 HB3 SER A 98 -1.472 2.831 12.250 1.00 23.32 H new ATOM 0 HG SER A 98 -0.203 4.829 11.887 1.00 55.15 H new ATOM 1591 N LYS A 99 -3.279 2.933 14.249 1.00 73.41 N ATOM 1592 CA LYS A 99 -4.651 3.289 14.602 1.00 15.30 C ATOM 1593 C LYS A 99 -5.540 2.218 13.965 1.00 13.44 C ATOM 1594 O LYS A 99 -6.388 1.612 14.621 1.00 24.13 O ATOM 1595 CB LYS A 99 -5.016 4.704 14.085 1.00 23.12 C ATOM 1596 CG LYS A 99 -6.481 5.100 14.332 1.00 22.01 C ATOM 1597 CD LYS A 99 -6.858 6.483 13.758 1.00 70.05 C ATOM 1598 CE LYS A 99 -8.332 6.821 14.033 1.00 21.04 C ATOM 1599 NZ LYS A 99 -8.639 6.832 15.493 1.00 75.22 N ATOM 0 H LYS A 99 -3.232 2.325 13.431 1.00 73.41 H new ATOM 0 HA LYS A 99 -4.785 3.322 15.683 1.00 15.30 H new ATOM 0 HB2 LYS A 99 -4.366 5.435 14.567 1.00 23.12 H new ATOM 0 HB3 LYS A 99 -4.812 4.753 13.015 1.00 23.12 H new ATOM 0 HG2 LYS A 99 -7.131 4.344 13.891 1.00 22.01 H new ATOM 0 HG3 LYS A 99 -6.672 5.098 15.405 1.00 22.01 H new ATOM 0 HD2 LYS A 99 -6.219 7.248 14.199 1.00 70.05 H new ATOM 0 HD3 LYS A 99 -6.675 6.495 12.684 1.00 70.05 H new ATOM 0 HE2 LYS A 99 -8.566 7.796 13.606 1.00 21.04 H new ATOM 0 HE3 LYS A 99 -8.971 6.092 13.534 1.00 21.04 H new ATOM 0 HZ1 LYS A 99 -9.575 7.257 15.648 1.00 75.22 H new ATOM 0 HZ2 LYS A 99 -8.637 5.857 15.855 1.00 75.22 H new ATOM 0 HZ3 LYS A 99 -7.919 7.389 15.995 1.00 75.22 H new ATOM 1613 N ALA A 100 -5.305 1.999 12.658 1.00 23.43 N ATOM 1614 CA ALA A 100 -5.792 0.818 11.941 1.00 51.54 C ATOM 1615 C ALA A 100 -5.051 -0.421 12.483 1.00 4.45 C ATOM 1616 O ALA A 100 -3.822 -0.377 12.649 1.00 73.55 O ATOM 1617 CB ALA A 100 -5.565 0.976 10.430 1.00 72.04 C ATOM 0 H ALA A 100 -4.770 2.641 12.073 1.00 23.43 H new ATOM 0 HA ALA A 100 -6.864 0.700 12.100 1.00 51.54 H new ATOM 0 HB1 ALA A 100 -5.932 0.090 9.912 1.00 72.04 H new ATOM 0 HB2 ALA A 100 -6.102 1.854 10.071 1.00 72.04 H new ATOM 0 HB3 ALA A 100 -4.500 1.096 10.233 1.00 72.04 H new ATOM 1623 N SER A 101 -5.795 -1.501 12.772 1.00 43.41 N ATOM 1624 CA SER A 101 -5.278 -2.648 13.548 1.00 65.42 C ATOM 1625 C SER A 101 -5.692 -3.992 12.924 1.00 44.54 C ATOM 1626 O SER A 101 -6.794 -4.104 12.385 1.00 44.13 O ATOM 1627 CB SER A 101 -5.816 -2.568 15.003 1.00 61.25 C ATOM 1628 OG SER A 101 -5.548 -1.302 15.585 1.00 4.43 O ATOM 0 H SER A 101 -6.766 -1.607 12.478 1.00 43.41 H new ATOM 0 HA SER A 101 -4.189 -2.596 13.541 1.00 65.42 H new ATOM 0 HB2 SER A 101 -6.890 -2.751 15.006 1.00 61.25 H new ATOM 0 HB3 SER A 101 -5.357 -3.352 15.606 1.00 61.25 H new ATOM 0 HG SER A 101 -5.900 -1.281 16.499 1.00 4.43 H new ATOM 1634 N ASN A 102 -4.782 -4.987 13.055 1.00 34.20 N ATOM 1635 CA ASN A 102 -4.976 -6.433 12.749 1.00 10.31 C ATOM 1636 C ASN A 102 -5.833 -6.736 11.492 1.00 15.24 C ATOM 1637 O ASN A 102 -5.290 -6.878 10.391 1.00 31.02 O ATOM 1638 CB ASN A 102 -5.419 -7.248 14.020 1.00 1.23 C ATOM 1639 CG ASN A 102 -6.557 -6.662 14.877 1.00 65.23 C ATOM 1640 OD1 ASN A 102 -7.484 -6.023 14.385 1.00 1.14 O ATOM 1641 ND2 ASN A 102 -6.490 -6.882 16.184 1.00 24.12 N ATOM 0 H ASN A 102 -3.840 -4.796 13.395 1.00 34.20 H new ATOM 0 HA ASN A 102 -3.988 -6.794 12.464 1.00 10.31 H new ATOM 0 HB2 ASN A 102 -5.721 -8.243 13.693 1.00 1.23 H new ATOM 0 HB3 ASN A 102 -4.546 -7.374 14.660 1.00 1.23 H new ATOM 0 HD21 ASN A 102 -7.217 -6.518 16.800 1.00 24.12 H new ATOM 0 HD22 ASN A 102 -5.712 -7.415 16.572 1.00 24.12 H new ATOM 1648 N LYS A 103 -7.164 -6.800 11.657 1.00 30.22 N ATOM 1649 CA LYS A 103 -8.110 -7.084 10.564 1.00 22.11 C ATOM 1650 C LYS A 103 -8.085 -5.951 9.523 1.00 75.53 C ATOM 1651 O LYS A 103 -7.883 -6.186 8.325 1.00 21.51 O ATOM 1652 CB LYS A 103 -9.544 -7.247 11.144 1.00 33.32 C ATOM 1653 CG LYS A 103 -9.735 -8.319 12.256 1.00 62.04 C ATOM 1654 CD LYS A 103 -9.935 -9.785 11.751 1.00 54.14 C ATOM 1655 CE LYS A 103 -8.638 -10.619 11.605 1.00 22.13 C ATOM 1656 NZ LYS A 103 -7.859 -10.314 10.375 1.00 22.31 N ATOM 0 H LYS A 103 -7.618 -6.655 12.559 1.00 30.22 H new ATOM 0 HA LYS A 103 -7.814 -8.010 10.071 1.00 22.11 H new ATOM 0 HB2 LYS A 103 -9.860 -6.283 11.544 1.00 33.32 H new ATOM 0 HB3 LYS A 103 -10.218 -7.487 10.321 1.00 33.32 H new ATOM 0 HG2 LYS A 103 -8.865 -8.295 12.913 1.00 62.04 H new ATOM 0 HG3 LYS A 103 -10.598 -8.041 12.860 1.00 62.04 H new ATOM 0 HD2 LYS A 103 -10.603 -10.301 12.440 1.00 54.14 H new ATOM 0 HD3 LYS A 103 -10.437 -9.753 10.784 1.00 54.14 H new ATOM 0 HE2 LYS A 103 -8.006 -10.445 12.476 1.00 22.13 H new ATOM 0 HE3 LYS A 103 -8.897 -11.678 11.606 1.00 22.13 H new ATOM 0 HZ1 LYS A 103 -7.470 -11.195 9.983 1.00 22.31 H new ATOM 0 HZ2 LYS A 103 -8.481 -9.867 9.672 1.00 22.31 H new ATOM 0 HZ3 LYS A 103 -7.080 -9.666 10.609 1.00 22.31 H new ATOM 1670 N ASN A 104 -8.289 -4.725 10.022 1.00 51.03 N ATOM 1671 CA ASN A 104 -8.315 -3.505 9.221 1.00 34.13 C ATOM 1672 C ASN A 104 -8.354 -2.293 10.156 1.00 62.33 C ATOM 1673 O ASN A 104 -7.422 -1.501 10.175 1.00 15.02 O ATOM 1674 CB ASN A 104 -9.502 -3.493 8.205 1.00 31.20 C ATOM 1675 CG ASN A 104 -10.898 -3.736 8.806 1.00 40.22 C ATOM 1676 OD1 ASN A 104 -11.066 -4.380 9.844 1.00 54.14 O ATOM 1677 ND2 ASN A 104 -11.916 -3.215 8.161 1.00 63.41 N ATOM 0 H ASN A 104 -8.443 -4.555 11.016 1.00 51.03 H new ATOM 0 HA ASN A 104 -7.407 -3.462 8.619 1.00 34.13 H new ATOM 0 HB2 ASN A 104 -9.509 -2.530 7.694 1.00 31.20 H new ATOM 0 HB3 ASN A 104 -9.315 -4.254 7.447 1.00 31.20 H new ATOM 0 HD21 ASN A 104 -12.864 -3.340 8.517 1.00 63.41 H new ATOM 0 HD22 ASN A 104 -11.759 -2.685 7.304 1.00 63.41 H new ATOM 1684 N LEU A 105 -9.432 -2.212 10.965 1.00 32.14 N ATOM 1685 CA LEU A 105 -9.704 -1.117 11.925 1.00 13.44 C ATOM 1686 C LEU A 105 -11.086 -1.323 12.586 1.00 10.42 C ATOM 1687 O LEU A 105 -11.355 -0.779 13.661 1.00 11.35 O ATOM 1688 CB LEU A 105 -9.609 0.318 11.276 1.00 12.41 C ATOM 1689 CG LEU A 105 -10.820 0.826 10.417 1.00 10.31 C ATOM 1690 CD1 LEU A 105 -10.653 2.313 10.013 1.00 13.02 C ATOM 1691 CD2 LEU A 105 -11.089 -0.058 9.174 1.00 15.10 C ATOM 0 H LEU A 105 -10.159 -2.927 10.969 1.00 32.14 H new ATOM 0 HA LEU A 105 -8.923 -1.162 12.684 1.00 13.44 H new ATOM 0 HB2 LEU A 105 -9.446 1.036 12.079 1.00 12.41 H new ATOM 0 HB3 LEU A 105 -8.721 0.339 10.644 1.00 12.41 H new ATOM 0 HG LEU A 105 -11.698 0.745 11.058 1.00 10.31 H new ATOM 0 HD11 LEU A 105 -11.511 2.627 9.419 1.00 13.02 H new ATOM 0 HD12 LEU A 105 -10.587 2.929 10.910 1.00 13.02 H new ATOM 0 HD13 LEU A 105 -9.743 2.430 9.425 1.00 13.02 H new ATOM 0 HD21 LEU A 105 -11.938 0.343 8.619 1.00 15.10 H new ATOM 0 HD22 LEU A 105 -10.207 -0.064 8.534 1.00 15.10 H new ATOM 0 HD23 LEU A 105 -11.312 -1.076 9.493 1.00 15.10 H new ATOM 1703 N GLY A 106 -11.954 -2.122 11.935 1.00 43.50 N ATOM 1704 CA GLY A 106 -13.320 -2.371 12.421 1.00 43.32 C ATOM 1705 C GLY A 106 -13.583 -3.826 12.793 1.00 42.23 C ATOM 1706 O GLY A 106 -14.473 -4.107 13.607 1.00 14.22 O ATOM 0 H GLY A 106 -11.729 -2.607 11.067 1.00 43.50 H new ATOM 0 HA2 GLY A 106 -13.506 -1.743 13.292 1.00 43.32 H new ATOM 0 HA3 GLY A 106 -14.031 -2.068 11.652 1.00 43.32 H new ATOM 1710 N GLY A 107 -12.806 -4.754 12.202 1.00 22.54 N ATOM 1711 CA GLY A 107 -13.008 -6.193 12.397 1.00 14.24 C ATOM 1712 C GLY A 107 -13.959 -6.783 11.363 1.00 51.45 C ATOM 1713 O GLY A 107 -13.956 -6.354 10.203 1.00 10.13 O ATOM 0 H GLY A 107 -12.029 -4.525 11.582 1.00 22.54 H new ATOM 0 HA2 GLY A 107 -12.047 -6.705 12.339 1.00 14.24 H new ATOM 0 HA3 GLY A 107 -13.404 -6.371 13.397 1.00 14.24 H new ATOM 1717 N GLY A 108 -14.760 -7.778 11.780 1.00 64.52 N ATOM 1718 CA GLY A 108 -15.761 -8.408 10.917 1.00 21.44 C ATOM 1719 C GLY A 108 -15.210 -9.577 10.123 1.00 71.02 C ATOM 1720 O GLY A 108 -14.004 -9.645 9.866 1.00 70.44 O ATOM 0 H GLY A 108 -14.728 -8.164 12.724 1.00 64.52 H new ATOM 0 HA2 GLY A 108 -16.595 -8.753 11.529 1.00 21.44 H new ATOM 0 HA3 GLY A 108 -16.158 -7.663 10.228 1.00 21.44 H new ATOM 1724 N LEU A 109 -16.095 -10.506 9.742 1.00 43.42 N ATOM 1725 CA LEU A 109 -15.736 -11.692 8.951 1.00 5.31 C ATOM 1726 C LEU A 109 -15.767 -11.347 7.454 1.00 51.11 C ATOM 1727 O LEU A 109 -16.831 -11.036 6.905 1.00 2.14 O ATOM 1728 CB LEU A 109 -16.693 -12.889 9.264 1.00 22.04 C ATOM 1729 CG LEU A 109 -16.593 -13.529 10.702 1.00 5.15 C ATOM 1730 CD1 LEU A 109 -15.142 -13.931 11.039 1.00 32.23 C ATOM 1731 CD2 LEU A 109 -17.207 -12.619 11.797 1.00 61.04 C ATOM 0 H LEU A 109 -17.087 -10.457 9.975 1.00 43.42 H new ATOM 0 HA LEU A 109 -14.726 -11.999 9.223 1.00 5.31 H new ATOM 0 HB2 LEU A 109 -17.718 -12.551 9.114 1.00 22.04 H new ATOM 0 HB3 LEU A 109 -16.506 -13.673 8.530 1.00 22.04 H new ATOM 0 HG LEU A 109 -17.191 -14.440 10.686 1.00 5.15 H new ATOM 0 HD11 LEU A 109 -15.108 -14.369 12.037 1.00 32.23 H new ATOM 0 HD12 LEU A 109 -14.788 -14.660 10.310 1.00 32.23 H new ATOM 0 HD13 LEU A 109 -14.503 -13.048 11.008 1.00 32.23 H new ATOM 0 HD21 LEU A 109 -17.113 -13.105 12.768 1.00 61.04 H new ATOM 0 HD22 LEU A 109 -16.679 -11.665 11.816 1.00 61.04 H new ATOM 0 HD23 LEU A 109 -18.261 -12.446 11.578 1.00 61.04 H new ATOM 1743 N ILE A 110 -14.590 -11.403 6.811 1.00 74.54 N ATOM 1744 CA ILE A 110 -14.433 -11.081 5.379 1.00 15.05 C ATOM 1745 C ILE A 110 -14.804 -12.281 4.487 1.00 4.10 C ATOM 1746 O ILE A 110 -15.136 -12.084 3.311 1.00 53.23 O ATOM 1747 CB ILE A 110 -12.954 -10.614 5.038 1.00 41.34 C ATOM 1748 CG1 ILE A 110 -11.927 -11.799 5.149 1.00 50.21 C ATOM 1749 CG2 ILE A 110 -12.512 -9.431 5.941 1.00 43.24 C ATOM 1750 CD1 ILE A 110 -10.475 -11.462 4.802 1.00 25.34 C ATOM 0 H ILE A 110 -13.718 -11.673 7.267 1.00 74.54 H new ATOM 0 HA ILE A 110 -15.117 -10.258 5.172 1.00 15.05 H new ATOM 0 HB ILE A 110 -12.962 -10.273 4.003 1.00 41.34 H new ATOM 0 HG12 ILE A 110 -11.956 -12.185 6.168 1.00 50.21 H new ATOM 0 HG13 ILE A 110 -12.259 -12.604 4.494 1.00 50.21 H new ATOM 0 HG21 ILE A 110 -11.495 -9.136 5.682 1.00 43.24 H new ATOM 0 HG22 ILE A 110 -13.185 -8.587 5.790 1.00 43.24 H new ATOM 0 HG23 ILE A 110 -12.545 -9.739 6.986 1.00 43.24 H new ATOM 0 HD11 ILE A 110 -9.858 -12.354 4.914 1.00 25.34 H new ATOM 0 HD12 ILE A 110 -10.420 -11.109 3.772 1.00 25.34 H new ATOM 0 HD13 ILE A 110 -10.112 -10.683 5.473 1.00 25.34 H new ATOM 1762 N MET A 111 -14.696 -13.509 5.056 1.00 44.51 N ATOM 1763 CA MET A 111 -14.965 -14.791 4.362 1.00 43.24 C ATOM 1764 C MET A 111 -13.881 -15.090 3.286 1.00 4.21 C ATOM 1765 O MET A 111 -13.194 -14.175 2.818 1.00 42.35 O ATOM 1766 CB MET A 111 -16.416 -14.819 3.765 1.00 22.52 C ATOM 1767 CG MET A 111 -16.877 -16.183 3.216 1.00 43.21 C ATOM 1768 SD MET A 111 -18.584 -16.172 2.613 1.00 22.45 S ATOM 1769 CE MET A 111 -19.507 -15.784 4.106 1.00 33.13 C ATOM 0 H MET A 111 -14.414 -13.636 6.028 1.00 44.51 H new ATOM 0 HA MET A 111 -14.908 -15.591 5.100 1.00 43.24 H new ATOM 0 HB2 MET A 111 -17.115 -14.502 4.539 1.00 22.52 H new ATOM 0 HB3 MET A 111 -16.475 -14.084 2.962 1.00 22.52 H new ATOM 0 HG2 MET A 111 -16.214 -16.483 2.404 1.00 43.21 H new ATOM 0 HG3 MET A 111 -16.781 -16.934 4.000 1.00 43.21 H new ATOM 0 HE1 MET A 111 -20.557 -16.038 3.961 1.00 33.13 H new ATOM 0 HE2 MET A 111 -19.107 -16.359 4.941 1.00 33.13 H new ATOM 0 HE3 MET A 111 -19.418 -14.719 4.323 1.00 33.13 H new ATOM 1779 N SER A 112 -13.712 -16.391 2.954 1.00 41.35 N ATOM 1780 CA SER A 112 -12.804 -16.883 1.890 1.00 15.24 C ATOM 1781 C SER A 112 -11.313 -16.766 2.304 1.00 62.32 C ATOM 1782 O SER A 112 -10.682 -17.774 2.632 1.00 44.40 O ATOM 1783 CB SER A 112 -13.081 -16.182 0.524 1.00 0.32 C ATOM 1784 OG SER A 112 -14.441 -16.332 0.144 1.00 44.42 O ATOM 0 H SER A 112 -14.213 -17.143 3.427 1.00 41.35 H new ATOM 0 HA SER A 112 -13.016 -17.944 1.755 1.00 15.24 H new ATOM 0 HB2 SER A 112 -12.835 -15.123 0.598 1.00 0.32 H new ATOM 0 HB3 SER A 112 -12.435 -16.607 -0.245 1.00 0.32 H new ATOM 0 HG SER A 112 -14.592 -15.883 -0.714 1.00 44.42 H new ATOM 1790 N TRP A 113 -10.767 -15.534 2.313 1.00 34.25 N ATOM 1791 CA TRP A 113 -9.337 -15.290 2.577 1.00 54.01 C ATOM 1792 C TRP A 113 -9.045 -15.409 4.092 1.00 54.23 C ATOM 1793 O TRP A 113 -9.121 -14.429 4.837 1.00 34.34 O ATOM 1794 CB TRP A 113 -8.922 -13.896 2.010 1.00 62.22 C ATOM 1795 CG TRP A 113 -7.423 -13.672 1.929 1.00 33.22 C ATOM 1796 CD1 TRP A 113 -6.580 -14.150 0.969 1.00 62.00 C ATOM 1797 CD2 TRP A 113 -6.599 -12.919 2.829 1.00 72.34 C ATOM 1798 NE1 TRP A 113 -5.298 -13.743 1.220 1.00 11.31 N ATOM 1799 CE2 TRP A 113 -5.282 -12.992 2.353 1.00 63.31 C ATOM 1800 CE3 TRP A 113 -6.852 -12.195 3.987 1.00 22.04 C ATOM 1801 CZ2 TRP A 113 -4.215 -12.364 2.992 1.00 23.35 C ATOM 1802 CZ3 TRP A 113 -5.798 -11.577 4.624 1.00 53.44 C ATOM 1803 CH2 TRP A 113 -4.494 -11.664 4.129 1.00 23.11 C ATOM 0 H TRP A 113 -11.303 -14.684 2.138 1.00 34.25 H new ATOM 0 HA TRP A 113 -8.738 -16.046 2.069 1.00 54.01 H new ATOM 0 HB2 TRP A 113 -9.348 -13.781 1.013 1.00 62.22 H new ATOM 0 HB3 TRP A 113 -9.360 -13.118 2.636 1.00 62.22 H new ATOM 0 HD1 TRP A 113 -6.881 -14.762 0.131 1.00 62.00 H new ATOM 0 HE1 TRP A 113 -4.484 -13.967 0.648 1.00 11.31 H new ATOM 0 HE3 TRP A 113 -7.855 -12.118 4.380 1.00 22.04 H new ATOM 0 HZ2 TRP A 113 -3.209 -12.429 2.603 1.00 23.35 H new ATOM 0 HZ3 TRP A 113 -5.984 -11.013 5.526 1.00 53.44 H new ATOM 0 HH2 TRP A 113 -3.693 -11.168 4.656 1.00 23.11 H new ATOM 1814 N GLY A 114 -8.756 -16.642 4.536 1.00 15.24 N ATOM 1815 CA GLY A 114 -8.431 -16.934 5.934 1.00 64.52 C ATOM 1816 C GLY A 114 -7.158 -17.740 6.058 1.00 12.15 C ATOM 1817 O GLY A 114 -7.085 -18.665 6.871 1.00 55.24 O ATOM 0 H GLY A 114 -8.742 -17.464 3.932 1.00 15.24 H new ATOM 0 HA2 GLY A 114 -8.325 -16.000 6.485 1.00 64.52 H new ATOM 0 HA3 GLY A 114 -9.254 -17.482 6.392 1.00 64.52 H new ATOM 1821 N ARG A 115 -6.145 -17.379 5.235 1.00 73.44 N ATOM 1822 CA ARG A 115 -4.825 -18.047 5.242 1.00 3.51 C ATOM 1823 C ARG A 115 -4.027 -17.696 6.518 1.00 13.21 C ATOM 1824 O ARG A 115 -3.186 -18.471 6.973 1.00 2.12 O ATOM 1825 CB ARG A 115 -4.009 -17.682 3.965 1.00 13.23 C ATOM 1826 CG ARG A 115 -3.651 -16.184 3.812 1.00 2.22 C ATOM 1827 CD ARG A 115 -2.803 -15.894 2.554 1.00 3.44 C ATOM 1828 NE ARG A 115 -1.516 -16.624 2.556 1.00 3.41 N ATOM 1829 CZ ARG A 115 -0.861 -17.061 1.459 1.00 4.52 C ATOM 1830 NH1 ARG A 115 -1.358 -16.867 0.236 1.00 74.42 N ATOM 1831 NH2 ARG A 115 0.288 -17.713 1.587 1.00 52.25 N ATOM 0 H ARG A 115 -6.220 -16.623 4.554 1.00 73.44 H new ATOM 0 HA ARG A 115 -4.999 -19.123 5.240 1.00 3.51 H new ATOM 0 HB2 ARG A 115 -3.085 -18.261 3.967 1.00 13.23 H new ATOM 0 HB3 ARG A 115 -4.578 -17.993 3.089 1.00 13.23 H new ATOM 0 HG2 ARG A 115 -4.570 -15.599 3.768 1.00 2.22 H new ATOM 0 HG3 ARG A 115 -3.105 -15.854 4.696 1.00 2.22 H new ATOM 0 HD2 ARG A 115 -3.371 -16.169 1.666 1.00 3.44 H new ATOM 0 HD3 ARG A 115 -2.609 -14.823 2.490 1.00 3.44 H new ATOM 0 HE ARG A 115 -1.088 -16.813 3.462 1.00 3.41 H new ATOM 0 HH11 ARG A 115 -2.247 -16.381 0.118 1.00 74.42 H new ATOM 0 HH12 ARG A 115 -0.849 -17.204 -0.581 1.00 74.42 H new ATOM 0 HH21 ARG A 115 0.677 -17.884 2.514 1.00 52.25 H new ATOM 0 HH22 ARG A 115 0.782 -18.043 0.758 1.00 52.25 H new ATOM 1845 N LEU A 116 -4.307 -16.514 7.064 1.00 33.53 N ATOM 1846 CA LEU A 116 -3.716 -16.001 8.310 1.00 2.41 C ATOM 1847 C LEU A 116 -4.881 -15.419 9.123 1.00 35.11 C ATOM 1848 O LEU A 116 -5.282 -14.277 8.903 1.00 5.31 O ATOM 1849 CB LEU A 116 -2.617 -14.936 7.957 1.00 23.35 C ATOM 1850 CG LEU A 116 -1.627 -14.455 9.094 1.00 3.22 C ATOM 1851 CD1 LEU A 116 -0.441 -13.664 8.482 1.00 20.04 C ATOM 1852 CD2 LEU A 116 -2.328 -13.602 10.180 1.00 52.01 C ATOM 0 H LEU A 116 -4.970 -15.863 6.643 1.00 33.53 H new ATOM 0 HA LEU A 116 -3.216 -16.770 8.898 1.00 2.41 H new ATOM 0 HB2 LEU A 116 -2.014 -15.341 7.144 1.00 23.35 H new ATOM 0 HB3 LEU A 116 -3.125 -14.054 7.568 1.00 23.35 H new ATOM 0 HG LEU A 116 -1.254 -15.355 9.584 1.00 3.22 H new ATOM 0 HD11 LEU A 116 0.230 -13.341 9.278 1.00 20.04 H new ATOM 0 HD12 LEU A 116 0.103 -14.303 7.786 1.00 20.04 H new ATOM 0 HD13 LEU A 116 -0.821 -12.791 7.951 1.00 20.04 H new ATOM 0 HD21 LEU A 116 -1.599 -13.301 10.933 1.00 52.01 H new ATOM 0 HD22 LEU A 116 -2.763 -12.714 9.721 1.00 52.01 H new ATOM 0 HD23 LEU A 116 -3.116 -14.189 10.652 1.00 52.01 H new ATOM 1864 N PHE A 117 -5.441 -16.229 10.032 1.00 51.23 N ATOM 1865 CA PHE A 117 -6.649 -15.875 10.800 1.00 65.44 C ATOM 1866 C PHE A 117 -6.417 -16.177 12.300 1.00 30.00 C ATOM 1867 O PHE A 117 -6.390 -15.240 13.120 1.00 13.50 O ATOM 1868 CB PHE A 117 -7.870 -16.656 10.233 1.00 31.35 C ATOM 1869 CG PHE A 117 -9.215 -16.242 10.829 1.00 14.05 C ATOM 1870 CD1 PHE A 117 -9.818 -16.976 11.857 1.00 42.41 C ATOM 1871 CD2 PHE A 117 -9.879 -15.110 10.356 1.00 25.21 C ATOM 1872 CE1 PHE A 117 -11.033 -16.588 12.389 1.00 24.14 C ATOM 1873 CE2 PHE A 117 -11.093 -14.726 10.886 1.00 63.04 C ATOM 1874 CZ PHE A 117 -11.669 -15.460 11.903 1.00 15.32 C ATOM 1875 OXT PHE A 117 -6.223 -17.357 12.646 1.00 37.30 O ATOM 0 H PHE A 117 -5.070 -17.152 10.258 1.00 51.23 H new ATOM 0 HA PHE A 117 -6.859 -14.810 10.704 1.00 65.44 H new ATOM 0 HB2 PHE A 117 -7.906 -16.515 9.153 1.00 31.35 H new ATOM 0 HB3 PHE A 117 -7.720 -17.721 10.411 1.00 31.35 H new ATOM 0 HD1 PHE A 117 -9.327 -17.858 12.240 1.00 42.41 H new ATOM 0 HD2 PHE A 117 -9.436 -14.526 9.563 1.00 25.21 H new ATOM 0 HE1 PHE A 117 -11.485 -17.164 13.183 1.00 24.14 H new ATOM 0 HE2 PHE A 117 -11.594 -13.849 10.504 1.00 63.04 H new ATOM 0 HZ PHE A 117 -12.617 -15.153 12.320 1.00 15.32 H new TER 1885 PHE A 117