USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1015 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 60 MET CE :methyl -171:sc= -0.729 (180deg=-1.02) USER MOD Set 1.2: A 111 MET CE :methyl 177:sc= -0.0725 (180deg=-0.115) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -178:sc= 1.37 (180deg=0.114) USER MOD Set 2.2: A 110 TYR OH : rot 180:sc= 0.891 USER MOD Set 3.1: A 74 ASN :FLIP amide:sc= -2.35! C(o=-4.2!,f=-1.5!) USER MOD Set 3.2: A 76 ASN : amide:sc= 0.839 K(o=-1.5,f=-9.5!) USER MOD Set 4.1: A 43 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.4!) USER MOD Set 4.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 39 LYS NZ :NH3+ 150:sc= 0.236 (180deg=0.0197) USER MOD Set 6.1: A 26 GLN : amide:sc= -0.0857 K(o=-0.41,f=-2.4) USER MOD Set 6.2: A 27 HIS :FLIP no HD1:sc= -0.322 F(o=-1.2,f=-0.41) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 9 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.62) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 136:sc= 0.508 (180deg=-0.726) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00527 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.12) USER MOD Single : A 57 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.062) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.214 F(o=-4.3!,f=-0.21) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 84 ASN : amide:sc= 0.00863 X(o=0.0086,f=-0.23) USER MOD Single : A 86 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=-0.031) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 88 MET CE :methyl -171:sc= 0 (180deg=-0.0998) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -160:sc= 0.0214 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 31:sc= 1.27 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 147:sc= 0.562 (180deg=-0.472) USER MOD Single : A 113 TYR OH : rot 165:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= 0.647 K(o=0.65,f=-0.04) USER MOD Single : A 118 THR OG1 : rot 38:sc= 0.0391 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -5.111 -12.387 -4.952 1.00 63.25 N ATOM 65 CA THR A 6 -4.881 -11.050 -4.409 1.00 43.25 C ATOM 66 C THR A 6 -6.194 -10.248 -4.363 1.00 72.55 C ATOM 67 O THR A 6 -7.201 -10.647 -4.962 1.00 31.14 O ATOM 68 CB THR A 6 -3.796 -10.366 -5.289 1.00 4.14 C ATOM 69 OG1 THR A 6 -3.599 -9.015 -4.937 1.00 14.00 O ATOM 70 CG2 THR A 6 -4.138 -10.376 -6.786 1.00 50.41 C ATOM 0 HA THR A 6 -4.526 -11.102 -3.380 1.00 43.25 H new ATOM 0 HB THR A 6 -2.898 -10.955 -5.105 1.00 4.14 H new ATOM 0 HG1 THR A 6 -2.909 -8.624 -5.513 1.00 14.00 H new ATOM 0 HG21 THR A 6 -3.342 -9.884 -7.344 1.00 50.41 H new ATOM 0 HG22 THR A 6 -4.239 -11.406 -7.129 1.00 50.41 H new ATOM 0 HG23 THR A 6 -5.076 -9.845 -6.948 1.00 50.41 H new ATOM 78 N PHE A 7 -6.177 -9.079 -3.713 1.00 21.33 N ATOM 79 CA PHE A 7 -7.301 -8.153 -3.593 1.00 1.14 C ATOM 80 C PHE A 7 -7.831 -7.859 -5.006 1.00 1.04 C ATOM 81 O PHE A 7 -9.028 -7.979 -5.256 1.00 12.03 O ATOM 82 CB PHE A 7 -6.871 -6.859 -2.863 1.00 10.31 C ATOM 83 CG PHE A 7 -6.031 -5.913 -3.702 1.00 71.12 C ATOM 84 CD1 PHE A 7 -4.676 -6.203 -3.944 1.00 41.32 C ATOM 85 CD2 PHE A 7 -6.644 -4.830 -4.366 1.00 30.41 C ATOM 86 CE1 PHE A 7 -3.959 -5.469 -4.903 1.00 70.13 C ATOM 87 CE2 PHE A 7 -5.918 -4.080 -5.307 1.00 34.13 C ATOM 88 CZ PHE A 7 -4.583 -4.414 -5.591 1.00 51.04 C ATOM 0 H PHE A 7 -5.341 -8.741 -3.236 1.00 21.33 H new ATOM 0 HA PHE A 7 -8.096 -8.599 -2.995 1.00 1.14 H new ATOM 0 HB2 PHE A 7 -7.764 -6.332 -2.528 1.00 10.31 H new ATOM 0 HB3 PHE A 7 -6.308 -7.130 -1.970 1.00 10.31 H new ATOM 0 HD1 PHE A 7 -4.186 -6.991 -3.392 1.00 41.32 H new ATOM 0 HD2 PHE A 7 -7.672 -4.577 -4.151 1.00 30.41 H new ATOM 0 HE1 PHE A 7 -2.928 -5.715 -5.112 1.00 70.13 H new ATOM 0 HE2 PHE A 7 -6.386 -3.248 -5.811 1.00 34.13 H new ATOM 0 HZ PHE A 7 -4.036 -3.859 -6.339 1.00 51.04 H new ATOM 98 N LYS A 8 -6.925 -7.597 -5.962 1.00 72.12 N ATOM 99 CA LYS A 8 -7.233 -7.304 -7.362 1.00 54.41 C ATOM 100 C LYS A 8 -7.991 -8.455 -8.019 1.00 5.04 C ATOM 101 O LYS A 8 -8.698 -8.251 -8.998 1.00 71.22 O ATOM 102 CB LYS A 8 -5.927 -6.936 -8.088 1.00 32.52 C ATOM 103 CG LYS A 8 -6.121 -6.593 -9.576 1.00 21.22 C ATOM 104 CD LYS A 8 -5.053 -5.625 -10.101 1.00 51.01 C ATOM 105 CE LYS A 8 -3.635 -6.185 -9.934 1.00 41.11 C ATOM 106 NZ LYS A 8 -2.600 -5.211 -10.323 1.00 45.45 N ATOM 0 H LYS A 8 -5.923 -7.584 -5.769 1.00 72.12 H new ATOM 0 HA LYS A 8 -7.906 -6.449 -7.427 1.00 54.41 H new ATOM 0 HB2 LYS A 8 -5.470 -6.084 -7.585 1.00 32.52 H new ATOM 0 HB3 LYS A 8 -5.228 -7.768 -8.004 1.00 32.52 H new ATOM 0 HG2 LYS A 8 -6.095 -7.511 -10.163 1.00 21.22 H new ATOM 0 HG3 LYS A 8 -7.108 -6.152 -9.718 1.00 21.22 H new ATOM 0 HD2 LYS A 8 -5.239 -5.418 -11.155 1.00 51.01 H new ATOM 0 HD3 LYS A 8 -5.132 -4.676 -9.571 1.00 51.01 H new ATOM 0 HE2 LYS A 8 -3.483 -6.479 -8.895 1.00 41.11 H new ATOM 0 HE3 LYS A 8 -3.529 -7.086 -10.539 1.00 41.11 H new ATOM 0 HZ1 LYS A 8 -1.660 -5.646 -10.225 1.00 45.45 H new ATOM 0 HZ2 LYS A 8 -2.748 -4.924 -11.312 1.00 45.45 H new ATOM 0 HZ3 LYS A 8 -2.661 -4.375 -9.707 1.00 45.45 H new ATOM 120 N GLN A 9 -7.803 -9.695 -7.564 1.00 50.33 N ATOM 121 CA GLN A 9 -8.531 -10.826 -8.107 1.00 21.53 C ATOM 122 C GLN A 9 -9.900 -10.889 -7.440 1.00 11.31 C ATOM 123 O GLN A 9 -10.893 -11.067 -8.143 1.00 4.30 O ATOM 124 CB GLN A 9 -7.743 -12.138 -7.979 1.00 32.41 C ATOM 125 CG GLN A 9 -6.616 -12.259 -9.017 1.00 63.14 C ATOM 126 CD GLN A 9 -7.076 -11.960 -10.443 1.00 51.35 C ATOM 127 OE1 GLN A 9 -6.412 -11.252 -11.193 1.00 71.23 O ATOM 128 NE2 GLN A 9 -8.239 -12.446 -10.836 1.00 73.14 N ATOM 0 H GLN A 9 -7.149 -9.934 -6.819 1.00 50.33 H new ATOM 0 HA GLN A 9 -8.671 -10.687 -9.179 1.00 21.53 H new ATOM 0 HB2 GLN A 9 -7.317 -12.205 -6.978 1.00 32.41 H new ATOM 0 HB3 GLN A 9 -8.426 -12.980 -8.092 1.00 32.41 H new ATOM 0 HG2 GLN A 9 -5.811 -11.574 -8.751 1.00 63.14 H new ATOM 0 HG3 GLN A 9 -6.203 -13.267 -8.979 1.00 63.14 H new ATOM 0 HE21 GLN A 9 -8.785 -13.034 -10.206 1.00 73.14 H new ATOM 0 HE22 GLN A 9 -8.591 -12.234 -11.769 1.00 73.14 H new ATOM 137 N ARG A 10 -9.998 -10.652 -6.121 1.00 73.33 N ATOM 138 CA ARG A 10 -11.313 -10.702 -5.462 1.00 1.10 C ATOM 139 C ARG A 10 -12.168 -9.462 -5.773 1.00 54.25 C ATOM 140 O ARG A 10 -13.358 -9.454 -5.465 1.00 32.54 O ATOM 141 CB ARG A 10 -11.209 -11.022 -3.944 1.00 24.32 C ATOM 142 CG ARG A 10 -11.185 -9.840 -2.957 1.00 30.43 C ATOM 143 CD ARG A 10 -11.157 -10.297 -1.484 1.00 44.05 C ATOM 144 NE ARG A 10 -11.465 -9.170 -0.590 1.00 1.42 N ATOM 145 CZ ARG A 10 -11.321 -9.090 0.742 1.00 3.24 C ATOM 146 NH1 ARG A 10 -10.762 -10.065 1.452 1.00 73.21 N ATOM 147 NH2 ARG A 10 -11.724 -7.985 1.359 1.00 22.20 N ATOM 0 H ARG A 10 -9.213 -10.431 -5.509 1.00 73.33 H new ATOM 0 HA ARG A 10 -11.851 -11.545 -5.896 1.00 1.10 H new ATOM 0 HB2 ARG A 10 -12.051 -11.662 -3.679 1.00 24.32 H new ATOM 0 HB3 ARG A 10 -10.303 -11.607 -3.787 1.00 24.32 H new ATOM 0 HG2 ARG A 10 -10.310 -9.221 -3.158 1.00 30.43 H new ATOM 0 HG3 ARG A 10 -12.063 -9.215 -3.123 1.00 30.43 H new ATOM 0 HD2 ARG A 10 -11.880 -11.098 -1.332 1.00 44.05 H new ATOM 0 HD3 ARG A 10 -10.175 -10.704 -1.242 1.00 44.05 H new ATOM 0 HE ARG A 10 -11.839 -8.336 -1.044 1.00 1.42 H new ATOM 0 HH11 ARG A 10 -10.426 -10.908 0.985 1.00 73.21 H new ATOM 0 HH12 ARG A 10 -10.669 -9.970 2.463 1.00 73.21 H new ATOM 0 HH21 ARG A 10 -12.133 -7.221 0.821 1.00 22.20 H new ATOM 0 HH22 ARG A 10 -11.625 -7.901 2.371 1.00 22.20 H new ATOM 161 N ARG A 11 -11.621 -8.436 -6.436 1.00 11.40 N ATOM 162 CA ARG A 11 -12.318 -7.202 -6.789 1.00 2.00 C ATOM 163 C ARG A 11 -12.026 -6.825 -8.240 1.00 42.42 C ATOM 164 O ARG A 11 -10.877 -6.512 -8.579 1.00 3.00 O ATOM 165 CB ARG A 11 -11.869 -6.062 -5.858 1.00 1.43 C ATOM 166 CG ARG A 11 -12.086 -6.289 -4.353 1.00 13.42 C ATOM 167 CD ARG A 11 -13.561 -6.332 -3.927 1.00 11.31 C ATOM 168 NE ARG A 11 -13.693 -5.919 -2.523 1.00 54.21 N ATOM 169 CZ ARG A 11 -14.302 -6.554 -1.518 1.00 54.21 C ATOM 170 NH1 ARG A 11 -14.976 -7.679 -1.714 1.00 44.12 N ATOM 171 NH2 ARG A 11 -14.197 -6.069 -0.289 1.00 31.30 N ATOM 0 H ARG A 11 -10.650 -8.446 -6.750 1.00 11.40 H new ATOM 0 HA ARG A 11 -13.390 -7.361 -6.674 1.00 2.00 H new ATOM 0 HB2 ARG A 11 -10.808 -5.879 -6.027 1.00 1.43 H new ATOM 0 HB3 ARG A 11 -12.399 -5.155 -6.147 1.00 1.43 H new ATOM 0 HG2 ARG A 11 -11.610 -7.227 -4.066 1.00 13.42 H new ATOM 0 HG3 ARG A 11 -11.584 -5.494 -3.801 1.00 13.42 H new ATOM 0 HD2 ARG A 11 -14.151 -5.674 -4.565 1.00 11.31 H new ATOM 0 HD3 ARG A 11 -13.956 -7.340 -4.056 1.00 11.31 H new ATOM 0 HE ARG A 11 -13.261 -5.027 -2.283 1.00 54.21 H new ATOM 0 HH11 ARG A 11 -15.039 -8.080 -2.650 1.00 44.12 H new ATOM 0 HH12 ARG A 11 -15.432 -8.144 -0.929 1.00 44.12 H new ATOM 0 HH21 ARG A 11 -13.656 -5.221 -0.120 1.00 31.30 H new ATOM 0 HH22 ARG A 11 -14.657 -6.544 0.488 1.00 31.30 H new ATOM 185 N THR A 12 -13.024 -6.901 -9.118 1.00 52.33 N ATOM 186 CA THR A 12 -12.874 -6.530 -10.524 1.00 24.33 C ATOM 187 C THR A 12 -12.610 -5.018 -10.621 1.00 11.13 C ATOM 188 O THR A 12 -12.663 -4.326 -9.603 1.00 25.10 O ATOM 189 CB THR A 12 -14.072 -7.001 -11.360 1.00 34.54 C ATOM 190 OG1 THR A 12 -13.643 -7.011 -12.702 1.00 73.53 O ATOM 191 CG2 THR A 12 -15.323 -6.124 -11.244 1.00 51.43 C ATOM 0 H THR A 12 -13.961 -7.222 -8.874 1.00 52.33 H new ATOM 0 HA THR A 12 -12.012 -7.042 -10.953 1.00 24.33 H new ATOM 0 HB THR A 12 -14.373 -7.980 -10.987 1.00 34.54 H new ATOM 0 HG1 THR A 12 -14.378 -7.309 -13.278 1.00 73.53 H new ATOM 0 HG21 THR A 12 -16.115 -6.536 -11.869 1.00 51.43 H new ATOM 0 HG22 THR A 12 -15.655 -6.100 -10.206 1.00 51.43 H new ATOM 0 HG23 THR A 12 -15.090 -5.112 -11.574 1.00 51.43 H new ATOM 199 N PHE A 13 -12.262 -4.505 -11.810 1.00 10.14 N ATOM 200 CA PHE A 13 -11.979 -3.080 -12.013 1.00 71.42 C ATOM 201 C PHE A 13 -13.078 -2.222 -11.407 1.00 21.34 C ATOM 202 O PHE A 13 -12.753 -1.343 -10.624 1.00 71.12 O ATOM 203 CB PHE A 13 -11.757 -2.720 -13.486 1.00 33.21 C ATOM 204 CG PHE A 13 -11.600 -1.218 -13.688 1.00 64.41 C ATOM 205 CD1 PHE A 13 -10.360 -0.592 -13.459 1.00 65.13 C ATOM 206 CD2 PHE A 13 -12.717 -0.424 -14.012 1.00 41.14 C ATOM 207 CE1 PHE A 13 -10.227 0.801 -13.599 1.00 12.44 C ATOM 208 CE2 PHE A 13 -12.589 0.972 -14.129 1.00 65.15 C ATOM 209 CZ PHE A 13 -11.341 1.587 -13.935 1.00 11.14 C ATOM 0 H PHE A 13 -12.169 -5.067 -12.656 1.00 10.14 H new ATOM 0 HA PHE A 13 -11.042 -2.871 -11.497 1.00 71.42 H new ATOM 0 HB2 PHE A 13 -10.867 -3.230 -13.854 1.00 33.21 H new ATOM 0 HB3 PHE A 13 -12.599 -3.080 -14.078 1.00 33.21 H new ATOM 0 HD1 PHE A 13 -9.504 -1.186 -13.174 1.00 65.13 H new ATOM 0 HD2 PHE A 13 -13.678 -0.890 -14.172 1.00 41.14 H new ATOM 0 HE1 PHE A 13 -9.265 1.268 -13.448 1.00 12.44 H new ATOM 0 HE2 PHE A 13 -13.454 1.573 -14.369 1.00 65.15 H new ATOM 0 HZ PHE A 13 -11.239 2.657 -14.044 1.00 11.14 H new ATOM 219 N GLU A 14 -14.353 -2.531 -11.668 1.00 73.23 N ATOM 220 CA GLU A 14 -15.472 -1.767 -11.127 1.00 43.11 C ATOM 221 C GLU A 14 -15.329 -1.616 -9.615 1.00 24.12 C ATOM 222 O GLU A 14 -15.328 -0.500 -9.109 1.00 23.24 O ATOM 223 CB GLU A 14 -16.815 -2.420 -11.450 1.00 21.10 C ATOM 224 CG GLU A 14 -17.068 -2.608 -12.946 1.00 41.12 C ATOM 225 CD GLU A 14 -18.545 -2.891 -13.202 1.00 51.04 C ATOM 226 OE1 GLU A 14 -19.144 -3.744 -12.496 1.00 65.42 O ATOM 227 OE2 GLU A 14 -19.134 -2.226 -14.084 1.00 12.43 O ATOM 0 H GLU A 14 -14.633 -3.315 -12.258 1.00 73.23 H new ATOM 0 HA GLU A 14 -15.451 -0.784 -11.598 1.00 43.11 H new ATOM 0 HB2 GLU A 14 -16.863 -3.392 -10.958 1.00 21.10 H new ATOM 0 HB3 GLU A 14 -17.615 -1.810 -11.030 1.00 21.10 H new ATOM 0 HG2 GLU A 14 -16.763 -1.713 -13.489 1.00 41.12 H new ATOM 0 HG3 GLU A 14 -16.462 -3.432 -13.323 1.00 41.12 H new ATOM 234 N GLN A 15 -15.193 -2.727 -8.882 1.00 22.50 N ATOM 235 CA GLN A 15 -15.034 -2.658 -7.436 1.00 70.51 C ATOM 236 C GLN A 15 -13.720 -1.979 -7.054 1.00 12.40 C ATOM 237 O GLN A 15 -13.647 -1.450 -5.954 1.00 12.00 O ATOM 238 CB GLN A 15 -15.162 -4.020 -6.733 1.00 73.41 C ATOM 239 CG GLN A 15 -16.585 -4.307 -6.212 1.00 52.21 C ATOM 240 CD GLN A 15 -17.379 -5.199 -7.150 1.00 65.14 C ATOM 241 OE1 GLN A 15 -17.579 -6.378 -6.868 1.00 13.44 O ATOM 242 NE2 GLN A 15 -17.800 -4.699 -8.290 1.00 14.31 N ATOM 0 H GLN A 15 -15.190 -3.672 -9.266 1.00 22.50 H new ATOM 0 HA GLN A 15 -15.866 -2.050 -7.080 1.00 70.51 H new ATOM 0 HB2 GLN A 15 -14.871 -4.808 -7.428 1.00 73.41 H new ATOM 0 HB3 GLN A 15 -14.463 -4.057 -5.898 1.00 73.41 H new ATOM 0 HG2 GLN A 15 -16.521 -4.781 -5.233 1.00 52.21 H new ATOM 0 HG3 GLN A 15 -17.116 -3.365 -6.076 1.00 52.21 H new ATOM 0 HE21 GLN A 15 -17.627 -3.718 -8.512 1.00 14.31 H new ATOM 0 HE22 GLN A 15 -18.300 -5.291 -8.953 1.00 14.31 H new ATOM 251 N ARG A 16 -12.641 -2.055 -7.842 1.00 73.31 N ATOM 252 CA ARG A 16 -11.377 -1.401 -7.492 1.00 73.34 C ATOM 253 C ARG A 16 -11.549 0.114 -7.586 1.00 50.05 C ATOM 254 O ARG A 16 -11.365 0.783 -6.575 1.00 23.23 O ATOM 255 CB ARG A 16 -10.233 -1.867 -8.405 1.00 23.54 C ATOM 256 CG ARG A 16 -9.712 -3.268 -8.071 1.00 10.22 C ATOM 257 CD ARG A 16 -8.641 -3.709 -9.083 1.00 13.00 C ATOM 258 NE ARG A 16 -9.176 -4.591 -10.145 1.00 21.14 N ATOM 259 CZ ARG A 16 -8.938 -4.506 -11.467 1.00 2.02 C ATOM 260 NH1 ARG A 16 -8.280 -3.484 -11.992 1.00 23.53 N ATOM 261 NH2 ARG A 16 -9.348 -5.463 -12.290 1.00 43.24 N ATOM 0 H ARG A 16 -12.619 -2.563 -8.726 1.00 73.31 H new ATOM 0 HA ARG A 16 -11.114 -1.677 -6.471 1.00 73.34 H new ATOM 0 HB2 ARG A 16 -10.577 -1.854 -9.439 1.00 23.54 H new ATOM 0 HB3 ARG A 16 -9.410 -1.156 -8.333 1.00 23.54 H new ATOM 0 HG2 ARG A 16 -9.293 -3.274 -7.065 1.00 10.22 H new ATOM 0 HG3 ARG A 16 -10.538 -3.979 -8.076 1.00 10.22 H new ATOM 0 HD2 ARG A 16 -8.197 -2.826 -9.542 1.00 13.00 H new ATOM 0 HD3 ARG A 16 -7.842 -4.229 -8.555 1.00 13.00 H new ATOM 0 HE ARG A 16 -9.792 -5.345 -9.842 1.00 21.14 H new ATOM 0 HH11 ARG A 16 -7.939 -2.734 -11.391 1.00 23.53 H new ATOM 0 HH12 ARG A 16 -8.114 -3.447 -12.998 1.00 23.53 H new ATOM 0 HH21 ARG A 16 -9.848 -6.272 -11.922 1.00 43.24 H new ATOM 0 HH22 ARG A 16 -9.163 -5.389 -13.290 1.00 43.24 H new ATOM 275 N VAL A 17 -12.028 0.636 -8.714 1.00 24.11 N ATOM 276 CA VAL A 17 -12.220 2.067 -8.892 1.00 50.12 C ATOM 277 C VAL A 17 -13.276 2.578 -7.897 1.00 61.54 C ATOM 278 O VAL A 17 -13.123 3.675 -7.352 1.00 1.13 O ATOM 279 CB VAL A 17 -12.476 2.360 -10.388 1.00 14.34 C ATOM 280 CG1 VAL A 17 -13.836 1.886 -10.914 1.00 25.51 C ATOM 281 CG2 VAL A 17 -12.346 3.845 -10.716 1.00 14.23 C ATOM 0 H VAL A 17 -12.292 0.077 -9.526 1.00 24.11 H new ATOM 0 HA VAL A 17 -11.326 2.640 -8.646 1.00 50.12 H new ATOM 0 HB VAL A 17 -11.700 1.781 -10.888 1.00 14.34 H new ATOM 0 HG11 VAL A 17 -13.924 2.135 -11.971 1.00 25.51 H new ATOM 0 HG12 VAL A 17 -13.919 0.807 -10.788 1.00 25.51 H new ATOM 0 HG13 VAL A 17 -14.633 2.379 -10.357 1.00 25.51 H new ATOM 0 HG21 VAL A 17 -12.535 4.001 -11.778 1.00 14.23 H new ATOM 0 HG22 VAL A 17 -13.071 4.411 -10.132 1.00 14.23 H new ATOM 0 HG23 VAL A 17 -11.339 4.185 -10.473 1.00 14.23 H new ATOM 291 N GLU A 18 -14.314 1.774 -7.615 1.00 2.03 N ATOM 292 CA GLU A 18 -15.386 2.094 -6.672 1.00 5.04 C ATOM 293 C GLU A 18 -14.814 2.107 -5.248 1.00 45.22 C ATOM 294 O GLU A 18 -15.162 2.977 -4.457 1.00 50.35 O ATOM 295 CB GLU A 18 -16.546 1.098 -6.839 1.00 33.34 C ATOM 296 CG GLU A 18 -17.688 1.243 -5.819 1.00 70.13 C ATOM 297 CD GLU A 18 -19.038 0.825 -6.422 1.00 10.43 C ATOM 298 OE1 GLU A 18 -19.338 -0.387 -6.483 1.00 71.34 O ATOM 299 OE2 GLU A 18 -19.816 1.709 -6.851 1.00 44.14 O ATOM 0 H GLU A 18 -14.429 0.859 -8.051 1.00 2.03 H new ATOM 0 HA GLU A 18 -15.792 3.085 -6.874 1.00 5.04 H new ATOM 0 HB2 GLU A 18 -16.959 1.212 -7.841 1.00 33.34 H new ATOM 0 HB3 GLU A 18 -16.147 0.086 -6.772 1.00 33.34 H new ATOM 0 HG2 GLU A 18 -17.475 0.631 -4.943 1.00 70.13 H new ATOM 0 HG3 GLU A 18 -17.745 2.277 -5.479 1.00 70.13 H new ATOM 306 N ASP A 19 -13.915 1.181 -4.921 1.00 30.54 N ATOM 307 CA ASP A 19 -13.265 1.083 -3.617 1.00 4.12 C ATOM 308 C ASP A 19 -12.392 2.304 -3.409 1.00 3.22 C ATOM 309 O ASP A 19 -12.434 2.882 -2.329 1.00 41.12 O ATOM 310 CB ASP A 19 -12.450 -0.205 -3.544 1.00 32.43 C ATOM 311 CG ASP A 19 -11.425 -0.319 -2.422 1.00 34.23 C ATOM 312 OD1 ASP A 19 -11.804 -0.827 -1.343 1.00 21.12 O ATOM 313 OD2 ASP A 19 -10.206 -0.237 -2.699 1.00 62.35 O ATOM 0 H ASP A 19 -13.611 0.459 -5.574 1.00 30.54 H new ATOM 0 HA ASP A 19 -14.011 1.051 -2.823 1.00 4.12 H new ATOM 0 HB2 ASP A 19 -13.145 -1.040 -3.452 1.00 32.43 H new ATOM 0 HB3 ASP A 19 -11.927 -0.328 -4.493 1.00 32.43 H new ATOM 318 N VAL A 20 -11.657 2.742 -4.437 1.00 62.34 N ATOM 319 CA VAL A 20 -10.814 3.920 -4.326 1.00 45.14 C ATOM 320 C VAL A 20 -11.707 5.100 -3.965 1.00 43.35 C ATOM 321 O VAL A 20 -11.490 5.713 -2.922 1.00 43.32 O ATOM 322 CB VAL A 20 -9.987 4.175 -5.606 1.00 74.51 C ATOM 323 CG1 VAL A 20 -9.164 5.457 -5.442 1.00 23.31 C ATOM 324 CG2 VAL A 20 -8.962 3.077 -5.903 1.00 52.31 C ATOM 0 H VAL A 20 -11.634 2.293 -5.352 1.00 62.34 H new ATOM 0 HA VAL A 20 -10.072 3.769 -3.542 1.00 45.14 H new ATOM 0 HB VAL A 20 -10.718 4.224 -6.413 1.00 74.51 H new ATOM 0 HG11 VAL A 20 -8.582 5.634 -6.346 1.00 23.31 H new ATOM 0 HG12 VAL A 20 -9.834 6.300 -5.271 1.00 23.31 H new ATOM 0 HG13 VAL A 20 -8.490 5.351 -4.592 1.00 23.31 H new ATOM 0 HG21 VAL A 20 -8.419 3.323 -6.815 1.00 52.31 H new ATOM 0 HG22 VAL A 20 -8.260 3.000 -5.073 1.00 52.31 H new ATOM 0 HG23 VAL A 20 -9.476 2.125 -6.033 1.00 52.31 H new ATOM 334 N ARG A 21 -12.711 5.433 -4.783 1.00 70.54 N ATOM 335 CA ARG A 21 -13.595 6.566 -4.501 1.00 53.34 C ATOM 336 C ARG A 21 -14.302 6.437 -3.149 1.00 74.32 C ATOM 337 O ARG A 21 -14.428 7.447 -2.446 1.00 32.33 O ATOM 338 CB ARG A 21 -14.516 6.857 -5.702 1.00 53.13 C ATOM 339 CG ARG A 21 -15.445 5.720 -6.126 1.00 13.32 C ATOM 340 CD ARG A 21 -16.778 5.686 -5.370 1.00 72.33 C ATOM 341 NE ARG A 21 -17.864 6.246 -6.191 1.00 4.11 N ATOM 342 CZ ARG A 21 -18.794 5.540 -6.843 1.00 25.40 C ATOM 343 NH1 ARG A 21 -18.762 4.217 -6.807 1.00 3.44 N ATOM 344 NH2 ARG A 21 -19.742 6.145 -7.537 1.00 43.11 N ATOM 0 H ARG A 21 -12.931 4.934 -5.645 1.00 70.54 H new ATOM 0 HA ARG A 21 -12.985 7.462 -4.382 1.00 53.34 H new ATOM 0 HB2 ARG A 21 -15.126 7.728 -5.464 1.00 53.13 H new ATOM 0 HB3 ARG A 21 -13.893 7.128 -6.555 1.00 53.13 H new ATOM 0 HG2 ARG A 21 -15.647 5.809 -7.193 1.00 13.32 H new ATOM 0 HG3 ARG A 21 -14.931 4.770 -5.977 1.00 13.32 H new ATOM 0 HD2 ARG A 21 -17.018 4.659 -5.095 1.00 72.33 H new ATOM 0 HD3 ARG A 21 -16.689 6.252 -4.443 1.00 72.33 H new ATOM 0 HE ARG A 21 -17.911 7.262 -6.269 1.00 4.11 H new ATOM 0 HH11 ARG A 21 -18.029 3.739 -6.283 1.00 3.44 H new ATOM 0 HH12 ARG A 21 -19.470 3.676 -7.303 1.00 3.44 H new ATOM 0 HH21 ARG A 21 -19.771 7.164 -7.580 1.00 43.11 H new ATOM 0 HH22 ARG A 21 -20.445 5.593 -8.029 1.00 43.11 H new ATOM 358 N LEU A 22 -14.760 5.243 -2.756 1.00 43.02 N ATOM 359 CA LEU A 22 -15.430 5.025 -1.478 1.00 53.05 C ATOM 360 C LEU A 22 -14.473 5.440 -0.363 1.00 64.45 C ATOM 361 O LEU A 22 -14.833 6.216 0.527 1.00 21.30 O ATOM 362 CB LEU A 22 -15.814 3.541 -1.330 1.00 24.23 C ATOM 363 CG LEU A 22 -17.157 3.147 -1.976 1.00 24.53 C ATOM 364 CD1 LEU A 22 -17.225 1.624 -2.140 1.00 24.24 C ATOM 365 CD2 LEU A 22 -18.348 3.606 -1.124 1.00 75.44 C ATOM 0 H LEU A 22 -14.674 4.399 -3.322 1.00 43.02 H new ATOM 0 HA LEU A 22 -16.343 5.617 -1.424 1.00 53.05 H new ATOM 0 HB2 LEU A 22 -15.024 2.932 -1.769 1.00 24.23 H new ATOM 0 HB3 LEU A 22 -15.853 3.296 -0.269 1.00 24.23 H new ATOM 0 HG LEU A 22 -17.214 3.638 -2.947 1.00 24.53 H new ATOM 0 HD11 LEU A 22 -18.176 1.349 -2.597 1.00 24.24 H new ATOM 0 HD12 LEU A 22 -16.406 1.290 -2.777 1.00 24.24 H new ATOM 0 HD13 LEU A 22 -17.141 1.149 -1.163 1.00 24.24 H new ATOM 0 HD21 LEU A 22 -19.278 3.311 -1.610 1.00 75.44 H new ATOM 0 HD22 LEU A 22 -18.291 3.143 -0.139 1.00 75.44 H new ATOM 0 HD23 LEU A 22 -18.322 4.690 -1.017 1.00 75.44 H new ATOM 377 N ILE A 23 -13.239 4.943 -0.443 1.00 60.11 N ATOM 378 CA ILE A 23 -12.153 5.194 0.487 1.00 64.44 C ATOM 379 C ILE A 23 -11.774 6.664 0.488 1.00 11.21 C ATOM 380 O ILE A 23 -11.618 7.229 1.567 1.00 62.51 O ATOM 381 CB ILE A 23 -10.994 4.240 0.168 1.00 53.25 C ATOM 382 CG1 ILE A 23 -11.415 2.816 0.585 1.00 55.33 C ATOM 383 CG2 ILE A 23 -9.659 4.641 0.805 1.00 33.31 C ATOM 384 CD1 ILE A 23 -11.408 2.533 2.096 1.00 20.40 C ATOM 0 H ILE A 23 -12.961 4.321 -1.202 1.00 60.11 H new ATOM 0 HA ILE A 23 -12.463 4.984 1.511 1.00 64.44 H new ATOM 0 HB ILE A 23 -10.806 4.288 -0.905 1.00 53.25 H new ATOM 0 HG12 ILE A 23 -12.419 2.628 0.204 1.00 55.33 H new ATOM 0 HG13 ILE A 23 -10.750 2.103 0.098 1.00 55.33 H new ATOM 0 HG21 ILE A 23 -8.893 3.916 0.531 1.00 33.31 H new ATOM 0 HG22 ILE A 23 -9.368 5.629 0.448 1.00 33.31 H new ATOM 0 HG23 ILE A 23 -9.766 4.664 1.890 1.00 33.31 H new ATOM 0 HD11 ILE A 23 -11.720 1.504 2.275 1.00 20.40 H new ATOM 0 HD12 ILE A 23 -10.402 2.681 2.489 1.00 20.40 H new ATOM 0 HD13 ILE A 23 -12.097 3.213 2.597 1.00 20.40 H new ATOM 396 N ARG A 24 -11.687 7.316 -0.673 1.00 35.22 N ATOM 397 CA ARG A 24 -11.339 8.728 -0.744 1.00 64.11 C ATOM 398 C ARG A 24 -12.388 9.535 0.001 1.00 20.21 C ATOM 399 O ARG A 24 -12.048 10.553 0.589 1.00 40.15 O ATOM 400 CB ARG A 24 -11.250 9.216 -2.195 1.00 13.44 C ATOM 401 CG ARG A 24 -10.205 8.458 -3.028 1.00 74.24 C ATOM 402 CD ARG A 24 -9.370 9.383 -3.896 1.00 53.23 C ATOM 403 NE ARG A 24 -8.392 10.159 -3.118 1.00 73.42 N ATOM 404 CZ ARG A 24 -7.902 11.341 -3.531 1.00 53.42 C ATOM 405 NH1 ARG A 24 -8.312 11.874 -4.676 1.00 14.30 N ATOM 406 NH2 ARG A 24 -6.996 12.014 -2.835 1.00 40.22 N ATOM 0 H ARG A 24 -11.855 6.881 -1.580 1.00 35.22 H new ATOM 0 HA ARG A 24 -10.359 8.863 -0.286 1.00 64.11 H new ATOM 0 HB2 ARG A 24 -12.227 9.111 -2.667 1.00 13.44 H new ATOM 0 HB3 ARG A 24 -11.007 10.279 -2.199 1.00 13.44 H new ATOM 0 HG2 ARG A 24 -9.548 7.900 -2.360 1.00 74.24 H new ATOM 0 HG3 ARG A 24 -10.710 7.728 -3.661 1.00 74.24 H new ATOM 0 HD2 ARG A 24 -8.845 8.794 -4.648 1.00 53.23 H new ATOM 0 HD3 ARG A 24 -10.029 10.067 -4.430 1.00 53.23 H new ATOM 0 HE ARG A 24 -8.071 9.784 -2.225 1.00 73.42 H new ATOM 0 HH11 ARG A 24 -9.002 11.386 -5.247 1.00 14.30 H new ATOM 0 HH12 ARG A 24 -7.937 12.771 -4.984 1.00 14.30 H new ATOM 0 HH21 ARG A 24 -6.647 11.638 -1.954 1.00 40.22 H new ATOM 0 HH22 ARG A 24 -6.648 12.908 -3.181 1.00 40.22 H new ATOM 420 N GLU A 25 -13.662 9.147 -0.031 1.00 42.15 N ATOM 421 CA GLU A 25 -14.688 9.895 0.675 1.00 20.22 C ATOM 422 C GLU A 25 -14.747 9.579 2.166 1.00 73.54 C ATOM 423 O GLU A 25 -14.924 10.512 2.948 1.00 4.11 O ATOM 424 CB GLU A 25 -16.017 9.842 -0.070 1.00 23.13 C ATOM 425 CG GLU A 25 -15.894 10.553 -1.421 1.00 24.41 C ATOM 426 CD GLU A 25 -15.344 11.975 -1.347 1.00 22.34 C ATOM 427 OE1 GLU A 25 -15.791 12.768 -0.491 1.00 4.22 O ATOM 428 OE2 GLU A 25 -14.453 12.307 -2.163 1.00 63.55 O ATOM 0 H GLU A 25 -14.001 8.327 -0.534 1.00 42.15 H new ATOM 0 HA GLU A 25 -14.404 10.947 0.671 1.00 20.22 H new ATOM 0 HB2 GLU A 25 -16.316 8.805 -0.222 1.00 23.13 H new ATOM 0 HB3 GLU A 25 -16.797 10.314 0.528 1.00 23.13 H new ATOM 0 HG2 GLU A 25 -15.248 9.962 -2.070 1.00 24.41 H new ATOM 0 HG3 GLU A 25 -16.877 10.582 -1.891 1.00 24.41 H new ATOM 435 N GLN A 26 -14.597 8.321 2.600 1.00 74.22 N ATOM 436 CA GLN A 26 -14.618 8.032 4.040 1.00 31.53 C ATOM 437 C GLN A 26 -13.310 8.526 4.680 1.00 4.03 C ATOM 438 O GLN A 26 -13.293 8.867 5.861 1.00 3.44 O ATOM 439 CB GLN A 26 -14.908 6.554 4.369 1.00 64.13 C ATOM 440 CG GLN A 26 -13.834 5.583 3.893 1.00 61.45 C ATOM 441 CD GLN A 26 -14.092 4.128 4.299 1.00 72.44 C ATOM 442 OE1 GLN A 26 -13.294 3.515 5.003 1.00 0.01 O ATOM 443 NE2 GLN A 26 -15.173 3.512 3.857 1.00 35.14 N ATOM 0 H GLN A 26 -14.464 7.509 1.997 1.00 74.22 H new ATOM 0 HA GLN A 26 -15.456 8.578 4.474 1.00 31.53 H new ATOM 0 HB2 GLN A 26 -15.023 6.450 5.448 1.00 64.13 H new ATOM 0 HB3 GLN A 26 -15.860 6.274 3.918 1.00 64.13 H new ATOM 0 HG2 GLN A 26 -13.761 5.640 2.807 1.00 61.45 H new ATOM 0 HG3 GLN A 26 -12.870 5.897 4.294 1.00 61.45 H new ATOM 0 HE21 GLN A 26 -15.842 4.013 3.272 1.00 35.14 H new ATOM 0 HE22 GLN A 26 -15.339 2.536 4.101 1.00 35.14 H new ATOM 452 N HIS A 27 -12.213 8.574 3.916 1.00 1.34 N ATOM 453 CA HIS A 27 -10.901 9.013 4.367 1.00 4.12 C ATOM 454 C HIS A 27 -10.309 10.024 3.367 1.00 13.23 C ATOM 455 O HIS A 27 -9.343 9.701 2.673 1.00 4.44 O ATOM 456 CB HIS A 27 -9.969 7.805 4.569 1.00 12.42 C ATOM 457 CG HIS A 27 -10.396 6.839 5.641 1.00 55.03 C ATOM 458 ND1 HIS A 27 -10.657 5.508 5.465 1.00 61.21 N flip ATOM 459 CD2 HIS A 27 -10.559 7.128 6.976 1.00 52.32 C flip ATOM 460 CE1 HIS A 27 -10.991 4.973 6.711 1.00 32.51 C flip ATOM 461 NE2 HIS A 27 -10.929 5.991 7.587 1.00 74.22 N flip ATOM 0 H HIS A 27 -12.222 8.297 2.934 1.00 1.34 H new ATOM 0 HA HIS A 27 -11.004 9.513 5.330 1.00 4.12 H new ATOM 0 HB2 HIS A 27 -9.891 7.265 3.626 1.00 12.42 H new ATOM 0 HB3 HIS A 27 -8.971 8.172 4.810 1.00 12.42 H new ATOM 0 HD2 HIS A 27 -10.416 8.090 7.445 1.00 52.32 H new ATOM 0 HE1 HIS A 27 -11.248 3.947 6.928 1.00 32.51 H new ATOM 0 HE2 HIS A 27 -11.135 5.910 8.583 1.00 74.22 H new ATOM 469 N PRO A 28 -10.803 11.276 3.307 1.00 20.42 N ATOM 470 CA PRO A 28 -10.293 12.273 2.368 1.00 40.02 C ATOM 471 C PRO A 28 -8.862 12.695 2.659 1.00 52.14 C ATOM 472 O PRO A 28 -8.176 13.190 1.778 1.00 55.02 O ATOM 473 CB PRO A 28 -11.256 13.455 2.436 1.00 22.53 C ATOM 474 CG PRO A 28 -11.863 13.335 3.832 1.00 44.45 C ATOM 475 CD PRO A 28 -11.915 11.825 4.063 1.00 20.11 C ATOM 0 HA PRO A 28 -10.249 11.850 1.364 1.00 40.02 H new ATOM 0 HB2 PRO A 28 -10.737 14.404 2.303 1.00 22.53 H new ATOM 0 HB3 PRO A 28 -12.019 13.397 1.660 1.00 22.53 H new ATOM 0 HG2 PRO A 28 -11.250 13.836 4.582 1.00 44.45 H new ATOM 0 HG3 PRO A 28 -12.855 13.784 3.879 1.00 44.45 H new ATOM 0 HD2 PRO A 28 -11.824 11.587 5.123 1.00 20.11 H new ATOM 0 HD3 PRO A 28 -12.863 11.409 3.723 1.00 20.11 H new ATOM 483 N THR A 29 -8.386 12.476 3.883 1.00 51.42 N ATOM 484 CA THR A 29 -7.040 12.824 4.273 1.00 55.43 C ATOM 485 C THR A 29 -6.060 11.674 4.008 1.00 0.32 C ATOM 486 O THR A 29 -4.884 11.817 4.344 1.00 40.15 O ATOM 487 CB THR A 29 -7.071 13.220 5.757 1.00 60.44 C ATOM 488 OG1 THR A 29 -7.919 12.379 6.529 1.00 32.50 O ATOM 489 CG2 THR A 29 -7.580 14.651 5.913 1.00 62.34 C ATOM 0 H THR A 29 -8.934 12.049 4.630 1.00 51.42 H new ATOM 0 HA THR A 29 -6.682 13.662 3.675 1.00 55.43 H new ATOM 0 HB THR A 29 -6.047 13.121 6.118 1.00 60.44 H new ATOM 0 HG1 THR A 29 -7.904 12.670 7.465 1.00 32.50 H new ATOM 0 HG21 THR A 29 -7.597 14.918 6.970 1.00 62.34 H new ATOM 0 HG22 THR A 29 -6.920 15.333 5.377 1.00 62.34 H new ATOM 0 HG23 THR A 29 -8.588 14.725 5.504 1.00 62.34 H new ATOM 497 N LYS A 30 -6.483 10.547 3.427 1.00 15.10 N ATOM 498 CA LYS A 30 -5.575 9.435 3.177 1.00 31.42 C ATOM 499 C LYS A 30 -5.525 9.080 1.704 1.00 64.31 C ATOM 500 O LYS A 30 -6.521 9.108 0.982 1.00 32.24 O ATOM 501 CB LYS A 30 -5.964 8.223 4.032 1.00 14.32 C ATOM 502 CG LYS A 30 -5.710 8.354 5.550 1.00 1.00 C ATOM 503 CD LYS A 30 -4.229 8.642 5.840 1.00 14.02 C ATOM 504 CE LYS A 30 -3.679 8.372 7.243 1.00 61.22 C ATOM 505 NZ LYS A 30 -4.531 8.962 8.297 1.00 3.04 N ATOM 0 H LYS A 30 -7.444 10.386 3.124 1.00 15.10 H new ATOM 0 HA LYS A 30 -4.571 9.746 3.466 1.00 31.42 H new ATOM 0 HB2 LYS A 30 -7.024 8.020 3.878 1.00 14.32 H new ATOM 0 HB3 LYS A 30 -5.416 7.355 3.666 1.00 14.32 H new ATOM 0 HG2 LYS A 30 -6.326 9.156 5.957 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.010 7.435 6.053 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -3.637 8.057 5.137 1.00 14.02 H new ATOM 0 HD3 LYS A 30 -4.048 9.693 5.613 1.00 14.02 H new ATOM 0 HE2 LYS A 30 -3.601 7.296 7.400 1.00 61.22 H new ATOM 0 HE3 LYS A 30 -2.671 8.780 7.322 1.00 61.22 H new ATOM 0 HZ1 LYS A 30 -4.122 8.755 9.230 1.00 3.04 H new ATOM 0 HZ2 LYS A 30 -4.585 9.992 8.163 1.00 3.04 H new ATOM 0 HZ3 LYS A 30 -5.486 8.555 8.240 1.00 3.04 H new ATOM 519 N ILE A 31 -4.346 8.633 1.289 1.00 0.44 N ATOM 520 CA ILE A 31 -4.032 8.226 -0.057 1.00 60.44 C ATOM 521 C ILE A 31 -4.132 6.693 -0.067 1.00 74.24 C ATOM 522 O ILE A 31 -3.400 6.055 0.700 1.00 73.33 O ATOM 523 CB ILE A 31 -2.618 8.727 -0.427 1.00 32.13 C ATOM 524 CG1 ILE A 31 -2.456 10.263 -0.337 1.00 14.01 C ATOM 525 CG2 ILE A 31 -2.214 8.228 -1.822 1.00 24.20 C ATOM 526 CD1 ILE A 31 -3.568 11.080 -1.003 1.00 72.31 C ATOM 0 H ILE A 31 -3.550 8.544 1.921 1.00 0.44 H new ATOM 0 HA ILE A 31 -4.712 8.647 -0.798 1.00 60.44 H new ATOM 0 HB ILE A 31 -1.947 8.306 0.322 1.00 32.13 H new ATOM 0 HG12 ILE A 31 -2.401 10.545 0.715 1.00 14.01 H new ATOM 0 HG13 ILE A 31 -1.504 10.538 -0.791 1.00 14.01 H new ATOM 0 HG21 ILE A 31 -1.215 8.592 -2.063 1.00 24.20 H new ATOM 0 HG22 ILE A 31 -2.216 7.138 -1.833 1.00 24.20 H new ATOM 0 HG23 ILE A 31 -2.924 8.599 -2.561 1.00 24.20 H new ATOM 0 HD11 ILE A 31 -3.360 12.143 -0.883 1.00 72.31 H new ATOM 0 HD12 ILE A 31 -3.613 10.836 -2.064 1.00 72.31 H new ATOM 0 HD13 ILE A 31 -4.524 10.843 -0.536 1.00 72.31 H new ATOM 538 N PRO A 32 -5.055 6.108 -0.856 1.00 44.03 N ATOM 539 CA PRO A 32 -5.248 4.666 -0.976 1.00 62.44 C ATOM 540 C PRO A 32 -4.046 4.059 -1.710 1.00 60.12 C ATOM 541 O PRO A 32 -3.803 4.384 -2.873 1.00 12.20 O ATOM 542 CB PRO A 32 -6.562 4.489 -1.749 1.00 64.31 C ATOM 543 CG PRO A 32 -6.782 5.807 -2.497 1.00 41.04 C ATOM 544 CD PRO A 32 -5.943 6.832 -1.755 1.00 12.03 C ATOM 0 HA PRO A 32 -5.312 4.157 -0.014 1.00 62.44 H new ATOM 0 HB2 PRO A 32 -6.498 3.651 -2.443 1.00 64.31 H new ATOM 0 HB3 PRO A 32 -7.390 4.280 -1.072 1.00 64.31 H new ATOM 0 HG2 PRO A 32 -6.472 5.725 -3.539 1.00 41.04 H new ATOM 0 HG3 PRO A 32 -7.835 6.087 -2.499 1.00 41.04 H new ATOM 0 HD2 PRO A 32 -5.368 7.436 -2.457 1.00 12.03 H new ATOM 0 HD3 PRO A 32 -6.581 7.515 -1.195 1.00 12.03 H new ATOM 552 N VAL A 33 -3.306 3.159 -1.058 1.00 44.12 N ATOM 553 CA VAL A 33 -2.115 2.517 -1.610 1.00 3.12 C ATOM 554 C VAL A 33 -2.120 1.001 -1.389 1.00 32.33 C ATOM 555 O VAL A 33 -2.695 0.493 -0.423 1.00 21.21 O ATOM 556 CB VAL A 33 -0.856 3.211 -1.015 1.00 75.14 C ATOM 557 CG1 VAL A 33 -0.876 3.342 0.514 1.00 3.03 C ATOM 558 CG2 VAL A 33 0.465 2.519 -1.388 1.00 4.05 C ATOM 0 H VAL A 33 -3.525 2.851 -0.111 1.00 44.12 H new ATOM 0 HA VAL A 33 -2.104 2.642 -2.693 1.00 3.12 H new ATOM 0 HB VAL A 33 -0.901 4.201 -1.468 1.00 75.14 H new ATOM 0 HG11 VAL A 33 0.036 3.836 0.849 1.00 3.03 H new ATOM 0 HG12 VAL A 33 -1.741 3.932 0.817 1.00 3.03 H new ATOM 0 HG13 VAL A 33 -0.938 2.351 0.963 1.00 3.03 H new ATOM 0 HG21 VAL A 33 1.298 3.059 -0.938 1.00 4.05 H new ATOM 0 HG22 VAL A 33 0.455 1.493 -1.019 1.00 4.05 H new ATOM 0 HG23 VAL A 33 0.580 2.514 -2.472 1.00 4.05 H new ATOM 568 N ILE A 34 -1.486 0.274 -2.308 1.00 61.31 N ATOM 569 CA ILE A 34 -1.318 -1.169 -2.292 1.00 10.43 C ATOM 570 C ILE A 34 0.164 -1.381 -2.023 1.00 51.02 C ATOM 571 O ILE A 34 1.002 -0.838 -2.744 1.00 70.14 O ATOM 572 CB ILE A 34 -1.755 -1.821 -3.619 1.00 63.54 C ATOM 573 CG1 ILE A 34 -3.274 -1.704 -3.833 1.00 1.41 C ATOM 574 CG2 ILE A 34 -1.315 -3.297 -3.705 1.00 70.22 C ATOM 575 CD1 ILE A 34 -4.134 -2.437 -2.793 1.00 51.43 C ATOM 0 H ILE A 34 -1.054 0.704 -3.126 1.00 61.31 H new ATOM 0 HA ILE A 34 -1.945 -1.639 -1.534 1.00 10.43 H new ATOM 0 HB ILE A 34 -1.254 -1.273 -4.416 1.00 63.54 H new ATOM 0 HG12 ILE A 34 -3.546 -0.649 -3.829 1.00 1.41 H new ATOM 0 HG13 ILE A 34 -3.517 -2.092 -4.822 1.00 1.41 H new ATOM 0 HG21 ILE A 34 -1.642 -3.719 -4.655 1.00 70.22 H new ATOM 0 HG22 ILE A 34 -0.229 -3.358 -3.636 1.00 70.22 H new ATOM 0 HG23 ILE A 34 -1.762 -3.858 -2.885 1.00 70.22 H new ATOM 0 HD11 ILE A 34 -5.189 -2.296 -3.029 1.00 51.43 H new ATOM 0 HD12 ILE A 34 -3.898 -3.501 -2.810 1.00 51.43 H new ATOM 0 HD13 ILE A 34 -3.927 -2.035 -1.801 1.00 51.43 H new ATOM 587 N ILE A 35 0.484 -2.141 -0.980 1.00 1.24 N ATOM 588 CA ILE A 35 1.845 -2.462 -0.580 1.00 74.12 C ATOM 589 C ILE A 35 1.914 -3.978 -0.687 1.00 73.23 C ATOM 590 O ILE A 35 1.269 -4.678 0.097 1.00 3.10 O ATOM 591 CB ILE A 35 2.165 -1.909 0.828 1.00 15.01 C ATOM 592 CG1 ILE A 35 1.907 -0.384 0.879 1.00 4.31 C ATOM 593 CG2 ILE A 35 3.622 -2.245 1.195 1.00 3.31 C ATOM 594 CD1 ILE A 35 2.219 0.269 2.228 1.00 64.52 C ATOM 0 H ILE A 35 -0.220 -2.562 -0.373 1.00 1.24 H new ATOM 0 HA ILE A 35 2.605 -1.997 -1.208 1.00 74.12 H new ATOM 0 HB ILE A 35 1.509 -2.378 1.561 1.00 15.01 H new ATOM 0 HG12 ILE A 35 2.508 0.099 0.108 1.00 4.31 H new ATOM 0 HG13 ILE A 35 0.862 -0.197 0.632 1.00 4.31 H new ATOM 0 HG21 ILE A 35 3.846 -1.855 2.188 1.00 3.31 H new ATOM 0 HG22 ILE A 35 3.758 -3.326 1.191 1.00 3.31 H new ATOM 0 HG23 ILE A 35 4.294 -1.792 0.466 1.00 3.31 H new ATOM 0 HD11 ILE A 35 2.009 1.337 2.172 1.00 64.52 H new ATOM 0 HD12 ILE A 35 1.599 -0.183 3.003 1.00 64.52 H new ATOM 0 HD13 ILE A 35 3.271 0.118 2.471 1.00 64.52 H new ATOM 606 N GLU A 36 2.677 -4.474 -1.656 1.00 24.54 N ATOM 607 CA GLU A 36 2.848 -5.894 -1.927 1.00 70.21 C ATOM 608 C GLU A 36 4.322 -6.295 -1.774 1.00 73.54 C ATOM 609 O GLU A 36 5.237 -5.494 -1.988 1.00 21.55 O ATOM 610 CB GLU A 36 2.355 -6.097 -3.366 1.00 71.54 C ATOM 611 CG GLU A 36 2.284 -7.526 -3.899 1.00 22.20 C ATOM 612 CD GLU A 36 1.084 -8.313 -3.384 1.00 44.35 C ATOM 613 OE1 GLU A 36 1.140 -8.793 -2.233 1.00 24.21 O ATOM 614 OE2 GLU A 36 0.167 -8.596 -4.190 1.00 74.25 O ATOM 0 H GLU A 36 3.208 -3.880 -2.292 1.00 24.54 H new ATOM 0 HA GLU A 36 2.290 -6.517 -1.229 1.00 70.21 H new ATOM 0 HB2 GLU A 36 1.359 -5.661 -3.444 1.00 71.54 H new ATOM 0 HB3 GLU A 36 3.006 -5.525 -4.027 1.00 71.54 H new ATOM 0 HG2 GLU A 36 2.248 -7.497 -4.988 1.00 22.20 H new ATOM 0 HG3 GLU A 36 3.198 -8.053 -3.624 1.00 22.20 H new ATOM 621 N ARG A 37 4.563 -7.540 -1.379 1.00 72.53 N ATOM 622 CA ARG A 37 5.897 -8.086 -1.213 1.00 23.24 C ATOM 623 C ARG A 37 6.347 -8.547 -2.593 1.00 25.44 C ATOM 624 O ARG A 37 5.548 -9.163 -3.309 1.00 43.20 O ATOM 625 CB ARG A 37 5.819 -9.259 -0.227 1.00 24.34 C ATOM 626 CG ARG A 37 7.209 -9.853 0.060 1.00 33.25 C ATOM 627 CD ARG A 37 7.152 -11.347 0.375 1.00 1.22 C ATOM 628 NE ARG A 37 6.629 -12.099 -0.776 1.00 2.03 N ATOM 629 CZ ARG A 37 6.585 -13.434 -0.872 1.00 5.34 C ATOM 630 NH1 ARG A 37 7.074 -14.192 0.105 1.00 75.42 N ATOM 631 NH2 ARG A 37 6.017 -14.008 -1.924 1.00 1.42 N ATOM 0 H ARG A 37 3.822 -8.206 -1.162 1.00 72.53 H new ATOM 0 HA ARG A 37 6.606 -7.360 -0.816 1.00 23.24 H new ATOM 0 HB2 ARG A 37 5.368 -8.921 0.706 1.00 24.34 H new ATOM 0 HB3 ARG A 37 5.169 -10.034 -0.633 1.00 24.34 H new ATOM 0 HG2 ARG A 37 7.855 -9.691 -0.803 1.00 33.25 H new ATOM 0 HG3 ARG A 37 7.660 -9.325 0.900 1.00 33.25 H new ATOM 0 HD2 ARG A 37 8.148 -11.709 0.630 1.00 1.22 H new ATOM 0 HD3 ARG A 37 6.518 -11.517 1.246 1.00 1.22 H new ATOM 0 HE ARG A 37 6.271 -11.560 -1.565 1.00 2.03 H new ATOM 0 HH11 ARG A 37 7.484 -13.757 0.931 1.00 75.42 H new ATOM 0 HH12 ARG A 37 7.039 -15.208 0.028 1.00 75.42 H new ATOM 0 HH21 ARG A 37 5.612 -13.432 -2.662 1.00 1.42 H new ATOM 0 HH22 ARG A 37 5.985 -15.025 -1.995 1.00 1.42 H new ATOM 645 N TYR A 38 7.593 -8.266 -2.974 1.00 22.14 N ATOM 646 CA TYR A 38 8.117 -8.688 -4.264 1.00 13.32 C ATOM 647 C TYR A 38 7.997 -10.204 -4.376 1.00 21.52 C ATOM 648 O TYR A 38 8.214 -10.923 -3.398 1.00 22.33 O ATOM 649 CB TYR A 38 9.568 -8.233 -4.410 1.00 45.10 C ATOM 650 CG TYR A 38 10.238 -8.633 -5.708 1.00 32.51 C ATOM 651 CD1 TYR A 38 9.726 -8.152 -6.924 1.00 71.20 C ATOM 652 CD2 TYR A 38 11.389 -9.446 -5.705 1.00 73.23 C ATOM 653 CE1 TYR A 38 10.348 -8.481 -8.138 1.00 61.31 C ATOM 654 CE2 TYR A 38 12.021 -9.777 -6.918 1.00 32.32 C ATOM 655 CZ TYR A 38 11.504 -9.287 -8.139 1.00 24.32 C ATOM 656 OH TYR A 38 12.085 -9.610 -9.325 1.00 50.11 O ATOM 0 H TYR A 38 8.258 -7.745 -2.402 1.00 22.14 H new ATOM 0 HA TYR A 38 7.543 -8.232 -5.070 1.00 13.32 H new ATOM 0 HB2 TYR A 38 9.603 -7.147 -4.320 1.00 45.10 H new ATOM 0 HB3 TYR A 38 10.146 -8.640 -3.580 1.00 45.10 H new ATOM 0 HD1 TYR A 38 8.847 -7.524 -6.925 1.00 71.20 H new ATOM 0 HD2 TYR A 38 11.786 -9.815 -4.771 1.00 73.23 H new ATOM 0 HE1 TYR A 38 9.941 -8.117 -9.070 1.00 61.31 H new ATOM 0 HE2 TYR A 38 12.900 -10.405 -6.916 1.00 32.32 H new ATOM 0 HH TYR A 38 12.873 -10.169 -9.162 1.00 50.11 H new ATOM 666 N LYS A 39 7.688 -10.703 -5.572 1.00 10.05 N ATOM 667 CA LYS A 39 7.535 -12.132 -5.812 1.00 3.02 C ATOM 668 C LYS A 39 8.800 -12.915 -5.469 1.00 44.32 C ATOM 669 O LYS A 39 8.705 -14.039 -4.980 1.00 52.14 O ATOM 670 CB LYS A 39 7.071 -12.365 -7.263 1.00 14.41 C ATOM 671 CG LYS A 39 8.165 -12.062 -8.306 1.00 43.00 C ATOM 672 CD LYS A 39 7.672 -12.106 -9.760 1.00 74.20 C ATOM 673 CE LYS A 39 7.725 -10.744 -10.475 1.00 62.42 C ATOM 674 NZ LYS A 39 9.095 -10.335 -10.868 1.00 65.21 N ATOM 0 H LYS A 39 7.537 -10.126 -6.400 1.00 10.05 H new ATOM 0 HA LYS A 39 6.767 -12.517 -5.141 1.00 3.02 H new ATOM 0 HB2 LYS A 39 6.750 -13.401 -7.373 1.00 14.41 H new ATOM 0 HB3 LYS A 39 6.202 -11.739 -7.465 1.00 14.41 H new ATOM 0 HG2 LYS A 39 8.581 -11.075 -8.104 1.00 43.00 H new ATOM 0 HG3 LYS A 39 8.976 -12.781 -8.186 1.00 43.00 H new ATOM 0 HD2 LYS A 39 8.276 -12.822 -10.317 1.00 74.20 H new ATOM 0 HD3 LYS A 39 6.646 -12.474 -9.775 1.00 74.20 H new ATOM 0 HE2 LYS A 39 7.097 -10.785 -11.365 1.00 62.42 H new ATOM 0 HE3 LYS A 39 7.301 -9.982 -9.821 1.00 62.42 H new ATOM 0 HZ1 LYS A 39 9.049 -9.746 -11.724 1.00 65.21 H new ATOM 0 HZ2 LYS A 39 9.530 -9.790 -10.096 1.00 65.21 H new ATOM 0 HZ3 LYS A 39 9.668 -11.181 -11.060 1.00 65.21 H new ATOM 688 N GLY A 40 9.978 -12.330 -5.700 1.00 72.42 N ATOM 689 CA GLY A 40 11.260 -12.956 -5.430 1.00 54.00 C ATOM 690 C GLY A 40 11.731 -12.767 -3.990 1.00 13.12 C ATOM 691 O GLY A 40 12.823 -13.233 -3.658 1.00 41.22 O ATOM 0 H GLY A 40 10.061 -11.390 -6.087 1.00 72.42 H new ATOM 0 HA2 GLY A 40 11.189 -14.022 -5.645 1.00 54.00 H new ATOM 0 HA3 GLY A 40 12.008 -12.544 -6.107 1.00 54.00 H new ATOM 695 N GLU A 41 10.980 -12.060 -3.146 1.00 4.35 N ATOM 696 CA GLU A 41 11.368 -11.845 -1.762 1.00 4.11 C ATOM 697 C GLU A 41 11.236 -13.160 -0.988 1.00 11.21 C ATOM 698 O GLU A 41 10.336 -13.965 -1.248 1.00 21.52 O ATOM 699 CB GLU A 41 10.514 -10.719 -1.183 1.00 2.42 C ATOM 700 CG GLU A 41 11.036 -10.184 0.153 1.00 42.20 C ATOM 701 CD GLU A 41 12.566 -10.076 0.187 1.00 75.24 C ATOM 702 OE1 GLU A 41 13.121 -9.181 -0.482 1.00 11.05 O ATOM 703 OE2 GLU A 41 13.183 -10.974 0.800 1.00 64.41 O ATOM 0 H GLU A 41 10.094 -11.626 -3.404 1.00 4.35 H new ATOM 0 HA GLU A 41 12.411 -11.537 -1.685 1.00 4.11 H new ATOM 0 HB2 GLU A 41 10.470 -9.900 -1.901 1.00 2.42 H new ATOM 0 HB3 GLU A 41 9.494 -11.079 -1.048 1.00 2.42 H new ATOM 0 HG2 GLU A 41 10.602 -9.202 0.342 1.00 42.20 H new ATOM 0 HG3 GLU A 41 10.704 -10.840 0.958 1.00 42.20 H new ATOM 710 N LYS A 42 12.166 -13.390 -0.061 1.00 13.01 N ATOM 711 CA LYS A 42 12.241 -14.579 0.779 1.00 74.31 C ATOM 712 C LYS A 42 12.790 -14.282 2.168 1.00 31.54 C ATOM 713 O LYS A 42 12.440 -15.011 3.098 1.00 14.24 O ATOM 714 CB LYS A 42 13.179 -15.607 0.120 1.00 31.55 C ATOM 715 CG LYS A 42 12.616 -16.338 -1.104 1.00 72.33 C ATOM 716 CD LYS A 42 11.567 -17.369 -0.688 1.00 45.02 C ATOM 717 CE LYS A 42 10.791 -17.918 -1.880 1.00 53.21 C ATOM 718 NZ LYS A 42 9.891 -19.023 -1.487 1.00 1.22 N ATOM 0 H LYS A 42 12.916 -12.725 0.131 1.00 13.01 H new ATOM 0 HA LYS A 42 11.224 -14.959 0.881 1.00 74.31 H new ATOM 0 HB2 LYS A 42 14.096 -15.097 -0.175 1.00 31.55 H new ATOM 0 HB3 LYS A 42 13.455 -16.350 0.868 1.00 31.55 H new ATOM 0 HG2 LYS A 42 12.171 -15.617 -1.790 1.00 72.33 H new ATOM 0 HG3 LYS A 42 13.425 -16.833 -1.641 1.00 72.33 H new ATOM 0 HD2 LYS A 42 12.056 -18.191 -0.166 1.00 45.02 H new ATOM 0 HD3 LYS A 42 10.872 -16.913 0.016 1.00 45.02 H new ATOM 0 HE2 LYS A 42 10.207 -17.117 -2.334 1.00 53.21 H new ATOM 0 HE3 LYS A 42 11.490 -18.271 -2.638 1.00 53.21 H new ATOM 0 HZ1 LYS A 42 9.381 -19.370 -2.324 1.00 1.22 H new ATOM 0 HZ2 LYS A 42 10.451 -19.798 -1.077 1.00 1.22 H new ATOM 0 HZ3 LYS A 42 9.207 -18.680 -0.783 1.00 1.22 H new ATOM 732 N GLN A 43 13.694 -13.310 2.308 1.00 64.40 N ATOM 733 CA GLN A 43 14.270 -12.966 3.599 1.00 73.42 C ATOM 734 C GLN A 43 13.372 -11.971 4.321 1.00 43.31 C ATOM 735 O GLN A 43 13.330 -11.995 5.549 1.00 61.53 O ATOM 736 CB GLN A 43 15.708 -12.435 3.473 1.00 23.41 C ATOM 737 CG GLN A 43 15.923 -11.253 2.508 1.00 15.42 C ATOM 738 CD GLN A 43 16.385 -11.619 1.091 1.00 63.33 C ATOM 739 OE1 GLN A 43 16.975 -10.795 0.405 1.00 11.14 O ATOM 740 NE2 GLN A 43 16.196 -12.839 0.609 1.00 23.52 N ATOM 0 H GLN A 43 14.042 -12.746 1.533 1.00 64.40 H new ATOM 0 HA GLN A 43 14.331 -13.879 4.192 1.00 73.42 H new ATOM 0 HB2 GLN A 43 16.048 -12.133 4.464 1.00 23.41 H new ATOM 0 HB3 GLN A 43 16.348 -13.257 3.153 1.00 23.41 H new ATOM 0 HG2 GLN A 43 14.989 -10.697 2.432 1.00 15.42 H new ATOM 0 HG3 GLN A 43 16.660 -10.580 2.947 1.00 15.42 H new ATOM 0 HE21 GLN A 43 15.706 -13.538 1.168 1.00 23.52 H new ATOM 0 HE22 GLN A 43 16.540 -13.079 -0.321 1.00 23.52 H new ATOM 749 N LEU A 44 12.692 -11.071 3.598 1.00 11.35 N ATOM 750 CA LEU A 44 11.816 -10.123 4.280 1.00 1.05 C ATOM 751 C LEU A 44 10.479 -10.824 4.526 1.00 51.22 C ATOM 752 O LEU A 44 10.079 -11.676 3.721 1.00 1.34 O ATOM 753 CB LEU A 44 11.596 -8.833 3.482 1.00 34.33 C ATOM 754 CG LEU A 44 12.870 -8.005 3.272 1.00 52.32 C ATOM 755 CD1 LEU A 44 12.582 -6.931 2.229 1.00 42.30 C ATOM 756 CD2 LEU A 44 13.342 -7.320 4.561 1.00 75.31 C ATOM 0 H LEU A 44 12.730 -10.983 2.583 1.00 11.35 H new ATOM 0 HA LEU A 44 12.288 -9.822 5.215 1.00 1.05 H new ATOM 0 HB2 LEU A 44 11.175 -9.087 2.509 1.00 34.33 H new ATOM 0 HB3 LEU A 44 10.857 -8.220 3.998 1.00 34.33 H new ATOM 0 HG LEU A 44 13.659 -8.683 2.947 1.00 52.32 H new ATOM 0 HD11 LEU A 44 13.478 -6.332 2.067 1.00 42.30 H new ATOM 0 HD12 LEU A 44 12.287 -7.403 1.292 1.00 42.30 H new ATOM 0 HD13 LEU A 44 11.775 -6.289 2.581 1.00 42.30 H new ATOM 0 HD21 LEU A 44 14.247 -6.747 4.358 1.00 75.31 H new ATOM 0 HD22 LEU A 44 12.562 -6.651 4.924 1.00 75.31 H new ATOM 0 HD23 LEU A 44 13.553 -8.075 5.318 1.00 75.31 H new ATOM 768 N PRO A 45 9.762 -10.475 5.602 1.00 32.14 N ATOM 769 CA PRO A 45 8.483 -11.092 5.895 1.00 51.42 C ATOM 770 C PRO A 45 7.405 -10.523 4.971 1.00 24.23 C ATOM 771 O PRO A 45 7.515 -9.383 4.500 1.00 35.52 O ATOM 772 CB PRO A 45 8.210 -10.747 7.360 1.00 61.10 C ATOM 773 CG PRO A 45 8.924 -9.408 7.563 1.00 53.31 C ATOM 774 CD PRO A 45 10.121 -9.494 6.615 1.00 15.14 C ATOM 0 HA PRO A 45 8.484 -12.170 5.735 1.00 51.42 H new ATOM 0 HB2 PRO A 45 7.141 -10.664 7.558 1.00 61.10 H new ATOM 0 HB3 PRO A 45 8.600 -11.513 8.030 1.00 61.10 H new ATOM 0 HG2 PRO A 45 8.277 -8.567 7.317 1.00 53.31 H new ATOM 0 HG3 PRO A 45 9.240 -9.275 8.598 1.00 53.31 H new ATOM 0 HD2 PRO A 45 10.330 -8.525 6.162 1.00 15.14 H new ATOM 0 HD3 PRO A 45 11.021 -9.797 7.150 1.00 15.14 H new ATOM 782 N VAL A 46 6.377 -11.322 4.684 1.00 24.12 N ATOM 783 CA VAL A 46 5.266 -10.883 3.849 1.00 41.44 C ATOM 784 C VAL A 46 4.432 -9.915 4.700 1.00 24.12 C ATOM 785 O VAL A 46 4.523 -9.927 5.935 1.00 72.44 O ATOM 786 CB VAL A 46 4.467 -12.104 3.342 1.00 11.45 C ATOM 787 CG1 VAL A 46 3.658 -12.803 4.443 1.00 34.54 C ATOM 788 CG2 VAL A 46 3.525 -11.745 2.183 1.00 43.13 C ATOM 0 H VAL A 46 6.294 -12.281 5.021 1.00 24.12 H new ATOM 0 HA VAL A 46 5.601 -10.365 2.951 1.00 41.44 H new ATOM 0 HB VAL A 46 5.228 -12.799 2.986 1.00 11.45 H new ATOM 0 HG11 VAL A 46 3.122 -13.651 4.018 1.00 34.54 H new ATOM 0 HG12 VAL A 46 4.333 -13.155 5.223 1.00 34.54 H new ATOM 0 HG13 VAL A 46 2.944 -12.100 4.872 1.00 34.54 H new ATOM 0 HG21 VAL A 46 2.986 -12.637 1.862 1.00 43.13 H new ATOM 0 HG22 VAL A 46 2.812 -10.990 2.514 1.00 43.13 H new ATOM 0 HG23 VAL A 46 4.107 -11.353 1.349 1.00 43.13 H new ATOM 798 N LEU A 47 3.632 -9.054 4.072 1.00 34.23 N ATOM 799 CA LEU A 47 2.812 -8.129 4.835 1.00 75.44 C ATOM 800 C LEU A 47 1.570 -8.866 5.355 1.00 63.32 C ATOM 801 O LEU A 47 1.185 -9.928 4.863 1.00 41.11 O ATOM 802 CB LEU A 47 2.433 -6.887 4.006 1.00 3.01 C ATOM 803 CG LEU A 47 2.758 -5.516 4.637 1.00 31.24 C ATOM 804 CD1 LEU A 47 2.366 -5.378 6.118 1.00 74.40 C ATOM 805 CD2 LEU A 47 4.237 -5.170 4.463 1.00 41.11 C ATOM 0 H LEU A 47 3.538 -8.981 3.059 1.00 34.23 H new ATOM 0 HA LEU A 47 3.388 -7.764 5.686 1.00 75.44 H new ATOM 0 HB2 LEU A 47 2.942 -6.950 3.044 1.00 3.01 H new ATOM 0 HB3 LEU A 47 1.363 -6.925 3.803 1.00 3.01 H new ATOM 0 HG LEU A 47 2.136 -4.807 4.091 1.00 31.24 H new ATOM 0 HD11 LEU A 47 2.633 -4.383 6.474 1.00 74.40 H new ATOM 0 HD12 LEU A 47 1.291 -5.526 6.225 1.00 74.40 H new ATOM 0 HD13 LEU A 47 2.896 -6.127 6.706 1.00 74.40 H new ATOM 0 HD21 LEU A 47 4.439 -4.200 4.916 1.00 41.11 H new ATOM 0 HD22 LEU A 47 4.848 -5.931 4.948 1.00 41.11 H new ATOM 0 HD23 LEU A 47 4.479 -5.132 3.401 1.00 41.11 H new ATOM 817 N ASP A 48 0.911 -8.262 6.338 1.00 4.00 N ATOM 818 CA ASP A 48 -0.301 -8.779 6.969 1.00 53.45 C ATOM 819 C ASP A 48 -1.532 -8.603 6.064 1.00 4.24 C ATOM 820 O ASP A 48 -2.481 -9.380 6.164 1.00 63.53 O ATOM 821 CB ASP A 48 -0.462 -8.044 8.302 1.00 1.01 C ATOM 822 CG ASP A 48 -1.871 -8.066 8.881 1.00 44.04 C ATOM 823 OD1 ASP A 48 -2.678 -7.218 8.450 1.00 44.11 O ATOM 824 OD2 ASP A 48 -2.122 -8.801 9.862 1.00 63.14 O ATOM 0 H ASP A 48 1.214 -7.371 6.731 1.00 4.00 H new ATOM 0 HA ASP A 48 -0.215 -9.852 7.138 1.00 53.45 H new ATOM 0 HB2 ASP A 48 0.220 -8.485 9.028 1.00 1.01 H new ATOM 0 HB3 ASP A 48 -0.156 -7.006 8.167 1.00 1.01 H new ATOM 829 N LYS A 49 -1.533 -7.588 5.196 1.00 3.02 N ATOM 830 CA LYS A 49 -2.596 -7.253 4.245 1.00 20.20 C ATOM 831 C LYS A 49 -1.976 -6.446 3.106 1.00 24.52 C ATOM 832 O LYS A 49 -0.804 -6.072 3.191 1.00 14.24 O ATOM 833 CB LYS A 49 -3.755 -6.516 4.951 1.00 3.11 C ATOM 834 CG LYS A 49 -3.382 -5.142 5.530 1.00 55.22 C ATOM 835 CD LYS A 49 -4.216 -4.783 6.768 1.00 41.01 C ATOM 836 CE LYS A 49 -5.560 -4.101 6.507 1.00 31.13 C ATOM 837 NZ LYS A 49 -6.236 -3.764 7.784 1.00 44.05 N ATOM 0 H LYS A 49 -0.747 -6.941 5.135 1.00 3.02 H new ATOM 0 HA LYS A 49 -3.039 -8.156 3.826 1.00 20.20 H new ATOM 0 HB2 LYS A 49 -4.572 -6.387 4.241 1.00 3.11 H new ATOM 0 HB3 LYS A 49 -4.131 -7.146 5.758 1.00 3.11 H new ATOM 0 HG2 LYS A 49 -2.324 -5.137 5.794 1.00 55.22 H new ATOM 0 HG3 LYS A 49 -3.524 -4.378 4.766 1.00 55.22 H new ATOM 0 HD2 LYS A 49 -4.400 -5.697 7.333 1.00 41.01 H new ATOM 0 HD3 LYS A 49 -3.619 -4.130 7.405 1.00 41.01 H new ATOM 0 HE2 LYS A 49 -5.405 -3.195 5.922 1.00 31.13 H new ATOM 0 HE3 LYS A 49 -6.197 -4.758 5.915 1.00 31.13 H new ATOM 0 HZ1 LYS A 49 -6.627 -2.802 7.726 1.00 44.05 H new ATOM 0 HZ2 LYS A 49 -7.006 -4.441 7.958 1.00 44.05 H new ATOM 0 HZ3 LYS A 49 -5.549 -3.812 8.564 1.00 44.05 H new ATOM 851 N THR A 50 -2.736 -6.122 2.065 1.00 12.44 N ATOM 852 CA THR A 50 -2.230 -5.369 0.916 1.00 35.54 C ATOM 853 C THR A 50 -2.696 -3.916 0.873 1.00 43.11 C ATOM 854 O THR A 50 -1.964 -3.070 0.362 1.00 53.03 O ATOM 855 CB THR A 50 -2.663 -6.073 -0.391 1.00 15.13 C ATOM 856 OG1 THR A 50 -3.931 -6.714 -0.292 1.00 71.35 O ATOM 857 CG2 THR A 50 -1.658 -7.144 -0.819 1.00 55.13 C ATOM 0 H THR A 50 -3.722 -6.373 1.991 1.00 12.44 H new ATOM 0 HA THR A 50 -1.145 -5.348 1.019 1.00 35.54 H new ATOM 0 HB THR A 50 -2.717 -5.269 -1.125 1.00 15.13 H new ATOM 0 HG1 THR A 50 -4.151 -7.139 -1.147 1.00 71.35 H new ATOM 0 HG21 THR A 50 -1.999 -7.615 -1.741 1.00 55.13 H new ATOM 0 HG22 THR A 50 -0.684 -6.683 -0.985 1.00 55.13 H new ATOM 0 HG23 THR A 50 -1.574 -7.898 -0.036 1.00 55.13 H new ATOM 865 N LYS A 51 -3.874 -3.606 1.410 1.00 60.45 N ATOM 866 CA LYS A 51 -4.458 -2.269 1.384 1.00 74.43 C ATOM 867 C LYS A 51 -3.992 -1.392 2.551 1.00 11.10 C ATOM 868 O LYS A 51 -4.190 -1.702 3.727 1.00 52.22 O ATOM 869 CB LYS A 51 -5.979 -2.463 1.264 1.00 13.13 C ATOM 870 CG LYS A 51 -6.347 -3.053 -0.115 1.00 23.30 C ATOM 871 CD LYS A 51 -7.774 -3.595 -0.225 1.00 14.23 C ATOM 872 CE LYS A 51 -8.785 -2.458 -0.124 1.00 72.43 C ATOM 873 NZ LYS A 51 -10.128 -2.853 -0.571 1.00 44.41 N ATOM 0 H LYS A 51 -4.460 -4.292 1.885 1.00 60.45 H new ATOM 0 HA LYS A 51 -4.110 -1.694 0.526 1.00 74.43 H new ATOM 0 HB2 LYS A 51 -6.329 -3.127 2.054 1.00 13.13 H new ATOM 0 HB3 LYS A 51 -6.485 -1.507 1.403 1.00 13.13 H new ATOM 0 HG2 LYS A 51 -6.208 -2.282 -0.873 1.00 23.30 H new ATOM 0 HG3 LYS A 51 -5.650 -3.858 -0.347 1.00 23.30 H new ATOM 0 HD2 LYS A 51 -7.899 -4.118 -1.173 1.00 14.23 H new ATOM 0 HD3 LYS A 51 -7.955 -4.322 0.566 1.00 14.23 H new ATOM 0 HE2 LYS A 51 -8.837 -2.114 0.909 1.00 72.43 H new ATOM 0 HE3 LYS A 51 -8.440 -1.616 -0.724 1.00 72.43 H new ATOM 0 HZ1 LYS A 51 -10.750 -2.020 -0.578 1.00 44.41 H new ATOM 0 HZ2 LYS A 51 -10.071 -3.251 -1.530 1.00 44.41 H new ATOM 0 HZ3 LYS A 51 -10.514 -3.568 0.079 1.00 44.41 H new ATOM 887 N PHE A 52 -3.352 -0.272 2.232 1.00 71.14 N ATOM 888 CA PHE A 52 -2.815 0.699 3.176 1.00 75.45 C ATOM 889 C PHE A 52 -3.349 2.090 2.830 1.00 42.01 C ATOM 890 O PHE A 52 -3.773 2.355 1.705 1.00 11.31 O ATOM 891 CB PHE A 52 -1.280 0.679 3.092 1.00 20.14 C ATOM 892 CG PHE A 52 -0.601 -0.346 3.972 1.00 43.45 C ATOM 893 CD1 PHE A 52 -0.661 -1.715 3.649 1.00 1.04 C ATOM 894 CD2 PHE A 52 0.132 0.079 5.097 1.00 63.54 C ATOM 895 CE1 PHE A 52 -0.033 -2.660 4.477 1.00 72.24 C ATOM 896 CE2 PHE A 52 0.762 -0.866 5.923 1.00 4.05 C ATOM 897 CZ PHE A 52 0.664 -2.233 5.620 1.00 63.53 C ATOM 0 H PHE A 52 -3.186 -0.005 1.262 1.00 71.14 H new ATOM 0 HA PHE A 52 -3.122 0.448 4.191 1.00 75.45 H new ATOM 0 HB2 PHE A 52 -0.991 0.495 2.057 1.00 20.14 H new ATOM 0 HB3 PHE A 52 -0.905 1.668 3.357 1.00 20.14 H new ATOM 0 HD1 PHE A 52 -1.190 -2.039 2.765 1.00 1.04 H new ATOM 0 HD2 PHE A 52 0.210 1.132 5.325 1.00 63.54 H new ATOM 0 HE1 PHE A 52 -0.086 -3.711 4.236 1.00 72.24 H new ATOM 0 HE2 PHE A 52 1.320 -0.542 6.789 1.00 4.05 H new ATOM 0 HZ PHE A 52 1.127 -2.961 6.269 1.00 63.53 H new ATOM 907 N LEU A 53 -3.316 3.003 3.798 1.00 34.50 N ATOM 908 CA LEU A 53 -3.773 4.385 3.654 1.00 64.21 C ATOM 909 C LEU A 53 -2.661 5.261 4.215 1.00 75.52 C ATOM 910 O LEU A 53 -2.184 4.967 5.301 1.00 31.13 O ATOM 911 CB LEU A 53 -5.103 4.575 4.415 1.00 33.50 C ATOM 912 CG LEU A 53 -6.345 4.209 3.593 1.00 12.34 C ATOM 913 CD1 LEU A 53 -7.580 4.152 4.496 1.00 32.21 C ATOM 914 CD2 LEU A 53 -6.624 5.147 2.416 1.00 15.21 C ATOM 0 H LEU A 53 -2.960 2.797 4.732 1.00 34.50 H new ATOM 0 HA LEU A 53 -3.969 4.652 2.616 1.00 64.21 H new ATOM 0 HB2 LEU A 53 -5.084 3.965 5.318 1.00 33.50 H new ATOM 0 HB3 LEU A 53 -5.183 5.614 4.734 1.00 33.50 H new ATOM 0 HG LEU A 53 -6.130 3.230 3.164 1.00 12.34 H new ATOM 0 HD11 LEU A 53 -8.455 3.891 3.900 1.00 32.21 H new ATOM 0 HD12 LEU A 53 -7.430 3.399 5.270 1.00 32.21 H new ATOM 0 HD13 LEU A 53 -7.735 5.125 4.962 1.00 32.21 H new ATOM 0 HD21 LEU A 53 -7.519 4.815 1.890 1.00 15.21 H new ATOM 0 HD22 LEU A 53 -6.776 6.161 2.787 1.00 15.21 H new ATOM 0 HD23 LEU A 53 -5.776 5.134 1.732 1.00 15.21 H new ATOM 926 N VAL A 54 -2.265 6.352 3.566 1.00 55.02 N ATOM 927 CA VAL A 54 -1.168 7.199 4.074 1.00 51.02 C ATOM 928 C VAL A 54 -1.512 8.689 3.975 1.00 35.54 C ATOM 929 O VAL A 54 -2.209 9.046 3.030 1.00 71.15 O ATOM 930 CB VAL A 54 0.141 6.752 3.392 1.00 74.24 C ATOM 931 CG1 VAL A 54 0.029 6.626 1.881 1.00 1.41 C ATOM 932 CG2 VAL A 54 1.373 7.579 3.768 1.00 15.04 C ATOM 0 H VAL A 54 -2.678 6.677 2.692 1.00 55.02 H new ATOM 0 HA VAL A 54 -1.018 7.062 5.145 1.00 51.02 H new ATOM 0 HB VAL A 54 0.298 5.754 3.801 1.00 74.24 H new ATOM 0 HG11 VAL A 54 0.987 6.308 1.470 1.00 1.41 H new ATOM 0 HG12 VAL A 54 -0.735 5.889 1.633 1.00 1.41 H new ATOM 0 HG13 VAL A 54 -0.246 7.591 1.455 1.00 1.41 H new ATOM 0 HG21 VAL A 54 2.245 7.192 3.241 1.00 15.04 H new ATOM 0 HG22 VAL A 54 1.212 8.620 3.488 1.00 15.04 H new ATOM 0 HG23 VAL A 54 1.540 7.514 4.843 1.00 15.04 H new ATOM 942 N PRO A 55 -1.181 9.535 4.979 1.00 13.22 N ATOM 943 CA PRO A 55 -1.504 10.955 4.917 1.00 32.45 C ATOM 944 C PRO A 55 -0.853 11.580 3.707 1.00 13.33 C ATOM 945 O PRO A 55 0.324 11.343 3.465 1.00 1.32 O ATOM 946 CB PRO A 55 -0.958 11.625 6.180 1.00 64.10 C ATOM 947 CG PRO A 55 -0.486 10.489 7.068 1.00 60.30 C ATOM 948 CD PRO A 55 -0.373 9.264 6.160 1.00 15.13 C ATOM 0 HA PRO A 55 -2.584 11.086 4.846 1.00 32.45 H new ATOM 0 HB2 PRO A 55 -0.139 12.304 5.942 1.00 64.10 H new ATOM 0 HB3 PRO A 55 -1.728 12.216 6.675 1.00 64.10 H new ATOM 0 HG2 PRO A 55 0.474 10.725 7.526 1.00 60.30 H new ATOM 0 HG3 PRO A 55 -1.191 10.309 7.880 1.00 60.30 H new ATOM 0 HD2 PRO A 55 0.666 9.083 5.884 1.00 15.13 H new ATOM 0 HD3 PRO A 55 -0.727 8.370 6.673 1.00 15.13 H new ATOM 956 N ASP A 56 -1.591 12.432 3.008 1.00 53.20 N ATOM 957 CA ASP A 56 -1.120 13.120 1.814 1.00 43.10 C ATOM 958 C ASP A 56 0.076 14.026 2.104 1.00 11.25 C ATOM 959 O ASP A 56 0.886 14.268 1.212 1.00 41.24 O ATOM 960 CB ASP A 56 -2.284 13.948 1.247 1.00 23.44 C ATOM 961 CG ASP A 56 -2.652 15.140 2.136 1.00 73.42 C ATOM 962 OD1 ASP A 56 -3.164 14.931 3.266 1.00 54.10 O ATOM 963 OD2 ASP A 56 -2.491 16.294 1.685 1.00 55.33 O ATOM 0 H ASP A 56 -2.551 12.668 3.260 1.00 53.20 H new ATOM 0 HA ASP A 56 -0.784 12.377 1.091 1.00 43.10 H new ATOM 0 HB2 ASP A 56 -2.017 14.310 0.254 1.00 23.44 H new ATOM 0 HB3 ASP A 56 -3.157 13.306 1.128 1.00 23.44 H new ATOM 968 N HIS A 57 0.241 14.463 3.356 1.00 63.13 N ATOM 969 CA HIS A 57 1.341 15.322 3.768 1.00 3.23 C ATOM 970 C HIS A 57 2.549 14.522 4.270 1.00 73.11 C ATOM 971 O HIS A 57 3.618 15.108 4.437 1.00 73.33 O ATOM 972 CB HIS A 57 0.840 16.313 4.830 1.00 51.34 C ATOM 973 CG HIS A 57 0.377 15.675 6.118 1.00 41.23 C ATOM 974 ND1 HIS A 57 1.156 15.428 7.223 1.00 34.54 N ATOM 975 CD2 HIS A 57 -0.894 15.261 6.410 1.00 35.13 C ATOM 976 CE1 HIS A 57 0.372 14.854 8.150 1.00 40.33 C ATOM 977 NE2 HIS A 57 -0.886 14.711 7.697 1.00 71.51 N ATOM 0 H HIS A 57 -0.396 14.224 4.116 1.00 63.13 H new ATOM 0 HA HIS A 57 1.690 15.876 2.896 1.00 3.23 H new ATOM 0 HB2 HIS A 57 1.640 17.018 5.056 1.00 51.34 H new ATOM 0 HB3 HIS A 57 0.016 16.890 4.409 1.00 51.34 H new ATOM 0 HD2 HIS A 57 -1.753 15.344 5.761 1.00 35.13 H new ATOM 0 HE1 HIS A 57 0.708 14.548 9.130 1.00 40.33 H new ATOM 0 HE2 HIS A 57 -1.673 14.289 8.190 1.00 71.51 H new ATOM 985 N VAL A 58 2.423 13.217 4.547 1.00 35.35 N ATOM 986 CA VAL A 58 3.543 12.420 5.032 1.00 54.32 C ATOM 987 C VAL A 58 4.551 12.149 3.904 1.00 1.23 C ATOM 988 O VAL A 58 4.188 11.977 2.735 1.00 1.05 O ATOM 989 CB VAL A 58 3.002 11.146 5.733 1.00 35.45 C ATOM 990 CG1 VAL A 58 3.581 9.805 5.262 1.00 64.50 C ATOM 991 CG2 VAL A 58 3.198 11.263 7.253 1.00 20.22 C ATOM 0 H VAL A 58 1.552 12.696 4.441 1.00 35.35 H new ATOM 0 HA VAL A 58 4.107 12.971 5.784 1.00 54.32 H new ATOM 0 HB VAL A 58 1.950 11.117 5.449 1.00 35.45 H new ATOM 0 HG11 VAL A 58 3.124 8.993 5.827 1.00 64.50 H new ATOM 0 HG12 VAL A 58 3.372 9.671 4.201 1.00 64.50 H new ATOM 0 HG13 VAL A 58 4.659 9.797 5.423 1.00 64.50 H new ATOM 0 HG21 VAL A 58 2.816 10.365 7.739 1.00 20.22 H new ATOM 0 HG22 VAL A 58 4.259 11.373 7.476 1.00 20.22 H new ATOM 0 HG23 VAL A 58 2.658 12.134 7.624 1.00 20.22 H new ATOM 1001 N ASN A 59 5.834 12.100 4.274 1.00 3.33 N ATOM 1002 CA ASN A 59 6.947 11.825 3.369 1.00 40.30 C ATOM 1003 C ASN A 59 7.277 10.334 3.405 1.00 53.30 C ATOM 1004 O ASN A 59 6.966 9.622 4.376 1.00 44.44 O ATOM 1005 CB ASN A 59 8.199 12.661 3.708 1.00 71.54 C ATOM 1006 CG ASN A 59 8.665 12.601 5.159 1.00 31.22 C ATOM 1007 OD1 ASN A 59 8.656 11.438 5.778 1.00 34.24 O flip ATOM 1008 ND2 ASN A 59 9.046 13.592 5.765 1.00 13.21 N flip ATOM 0 H ASN A 59 6.132 12.255 5.237 1.00 3.33 H new ATOM 0 HA ASN A 59 6.638 12.112 2.364 1.00 40.30 H new ATOM 0 HB2 ASN A 59 9.018 12.330 3.069 1.00 71.54 H new ATOM 0 HB3 ASN A 59 7.998 13.702 3.454 1.00 71.54 H new ATOM 0 HD21 ASN A 59 9.059 14.500 5.301 1.00 13.21 H new ATOM 0 HD22 ASN A 59 9.351 13.511 6.735 1.00 13.21 H new ATOM 1015 N MET A 60 8.089 9.899 2.445 1.00 73.34 N ATOM 1016 CA MET A 60 8.465 8.503 2.337 1.00 24.53 C ATOM 1017 C MET A 60 9.196 7.965 3.553 1.00 15.01 C ATOM 1018 O MET A 60 9.032 6.783 3.850 1.00 55.11 O ATOM 1019 CB MET A 60 9.355 8.265 1.107 1.00 32.32 C ATOM 1020 CG MET A 60 8.694 8.388 -0.264 1.00 62.23 C ATOM 1021 SD MET A 60 7.390 7.190 -0.651 1.00 42.00 S ATOM 1022 CE MET A 60 8.406 5.702 -0.809 1.00 21.43 C ATOM 0 H MET A 60 8.498 10.501 1.730 1.00 73.34 H new ATOM 0 HA MET A 60 7.519 7.968 2.248 1.00 24.53 H new ATOM 0 HB2 MET A 60 10.184 8.972 1.147 1.00 32.32 H new ATOM 0 HB3 MET A 60 9.783 7.266 1.188 1.00 32.32 H new ATOM 0 HG2 MET A 60 8.272 9.389 -0.349 1.00 62.23 H new ATOM 0 HG3 MET A 60 9.470 8.303 -1.025 1.00 62.23 H new ATOM 0 HE1 MET A 60 7.799 4.887 -1.203 1.00 21.43 H new ATOM 0 HE2 MET A 60 9.235 5.898 -1.489 1.00 21.43 H new ATOM 0 HE3 MET A 60 8.797 5.423 0.169 1.00 21.43 H new ATOM 1032 N SER A 61 9.966 8.786 4.274 1.00 20.15 N ATOM 1033 CA SER A 61 10.678 8.281 5.442 1.00 1.25 C ATOM 1034 C SER A 61 9.681 7.695 6.454 1.00 71.14 C ATOM 1035 O SER A 61 9.899 6.605 6.982 1.00 31.12 O ATOM 1036 CB SER A 61 11.552 9.385 6.047 1.00 61.53 C ATOM 1037 OG SER A 61 12.603 8.812 6.803 1.00 1.11 O ATOM 0 H SER A 61 10.108 9.776 4.074 1.00 20.15 H new ATOM 0 HA SER A 61 11.346 7.473 5.145 1.00 1.25 H new ATOM 0 HB2 SER A 61 11.963 10.010 5.254 1.00 61.53 H new ATOM 0 HB3 SER A 61 10.947 10.032 6.682 1.00 61.53 H new ATOM 0 HG SER A 61 13.158 9.524 7.185 1.00 1.11 H new ATOM 1043 N GLU A 62 8.581 8.400 6.718 1.00 64.44 N ATOM 1044 CA GLU A 62 7.540 7.976 7.642 1.00 41.11 C ATOM 1045 C GLU A 62 6.777 6.802 7.060 1.00 32.55 C ATOM 1046 O GLU A 62 6.490 5.859 7.787 1.00 72.54 O ATOM 1047 CB GLU A 62 6.576 9.115 7.959 1.00 32.32 C ATOM 1048 CG GLU A 62 7.292 10.316 8.568 1.00 60.54 C ATOM 1049 CD GLU A 62 7.588 10.148 10.059 1.00 61.14 C ATOM 1050 OE1 GLU A 62 7.988 9.049 10.503 1.00 24.35 O ATOM 1051 OE2 GLU A 62 7.404 11.092 10.848 1.00 22.33 O ATOM 0 H GLU A 62 8.389 9.302 6.283 1.00 64.44 H new ATOM 0 HA GLU A 62 8.021 7.674 8.572 1.00 41.11 H new ATOM 0 HB2 GLU A 62 6.065 9.422 7.047 1.00 32.32 H new ATOM 0 HB3 GLU A 62 5.811 8.761 8.649 1.00 32.32 H new ATOM 0 HG2 GLU A 62 8.228 10.482 8.035 1.00 60.54 H new ATOM 0 HG3 GLU A 62 6.681 11.207 8.424 1.00 60.54 H new ATOM 1058 N LEU A 63 6.481 6.825 5.755 1.00 15.23 N ATOM 1059 CA LEU A 63 5.765 5.723 5.107 1.00 33.22 C ATOM 1060 C LEU A 63 6.532 4.426 5.404 1.00 42.42 C ATOM 1061 O LEU A 63 6.006 3.476 6.008 1.00 51.04 O ATOM 1062 CB LEU A 63 5.637 6.042 3.605 1.00 33.33 C ATOM 1063 CG LEU A 63 4.623 5.164 2.852 1.00 43.21 C ATOM 1064 CD1 LEU A 63 4.371 5.770 1.470 1.00 61.10 C ATOM 1065 CD2 LEU A 63 5.063 3.707 2.679 1.00 32.54 C ATOM 0 H LEU A 63 6.726 7.593 5.130 1.00 15.23 H new ATOM 0 HA LEU A 63 4.751 5.595 5.487 1.00 33.22 H new ATOM 0 HB2 LEU A 63 5.349 7.087 3.491 1.00 33.33 H new ATOM 0 HB3 LEU A 63 6.615 5.928 3.137 1.00 33.33 H new ATOM 0 HG LEU A 63 3.719 5.146 3.461 1.00 43.21 H new ATOM 0 HD11 LEU A 63 3.653 5.154 0.928 1.00 61.10 H new ATOM 0 HD12 LEU A 63 3.973 6.778 1.582 1.00 61.10 H new ATOM 0 HD13 LEU A 63 5.308 5.810 0.914 1.00 61.10 H new ATOM 0 HD21 LEU A 63 4.293 3.156 2.139 1.00 32.54 H new ATOM 0 HD22 LEU A 63 5.996 3.673 2.116 1.00 32.54 H new ATOM 0 HD23 LEU A 63 5.214 3.254 3.659 1.00 32.54 H new ATOM 1077 N ILE A 64 7.812 4.436 5.038 1.00 74.21 N ATOM 1078 CA ILE A 64 8.764 3.347 5.223 1.00 15.23 C ATOM 1079 C ILE A 64 8.776 2.968 6.708 1.00 62.24 C ATOM 1080 O ILE A 64 8.639 1.796 7.062 1.00 60.30 O ATOM 1081 CB ILE A 64 10.153 3.796 4.694 1.00 43.23 C ATOM 1082 CG1 ILE A 64 10.162 3.749 3.148 1.00 44.43 C ATOM 1083 CG2 ILE A 64 11.301 2.952 5.272 1.00 43.02 C ATOM 1084 CD1 ILE A 64 11.316 4.527 2.501 1.00 41.22 C ATOM 0 H ILE A 64 8.233 5.245 4.582 1.00 74.21 H new ATOM 0 HA ILE A 64 8.483 2.458 4.658 1.00 15.23 H new ATOM 0 HB ILE A 64 10.321 4.820 5.028 1.00 43.23 H new ATOM 0 HG12 ILE A 64 10.216 2.708 2.828 1.00 44.43 H new ATOM 0 HG13 ILE A 64 9.217 4.148 2.778 1.00 44.43 H new ATOM 0 HG21 ILE A 64 12.251 3.306 4.871 1.00 43.02 H new ATOM 0 HG22 ILE A 64 11.309 3.044 6.358 1.00 43.02 H new ATOM 0 HG23 ILE A 64 11.158 1.907 4.997 1.00 43.02 H new ATOM 0 HD11 ILE A 64 11.249 4.443 1.416 1.00 41.22 H new ATOM 0 HD12 ILE A 64 11.253 5.577 2.788 1.00 41.22 H new ATOM 0 HD13 ILE A 64 12.267 4.115 2.838 1.00 41.22 H new ATOM 1096 N LYS A 65 8.928 3.953 7.593 1.00 0.12 N ATOM 1097 CA LYS A 65 8.973 3.747 9.030 1.00 21.14 C ATOM 1098 C LYS A 65 7.733 3.027 9.554 1.00 73.13 C ATOM 1099 O LYS A 65 7.931 2.050 10.268 1.00 52.00 O ATOM 1100 CB LYS A 65 9.179 5.102 9.719 1.00 1.43 C ATOM 1101 CG LYS A 65 9.043 5.065 11.250 1.00 34.13 C ATOM 1102 CD LYS A 65 8.127 6.177 11.803 1.00 71.54 C ATOM 1103 CE LYS A 65 7.088 5.644 12.798 1.00 72.50 C ATOM 1104 NZ LYS A 65 6.678 6.688 13.758 1.00 33.45 N ATOM 0 H LYS A 65 9.024 4.931 7.321 1.00 0.12 H new ATOM 0 HA LYS A 65 9.812 3.092 9.263 1.00 21.14 H new ATOM 0 HB2 LYS A 65 10.170 5.478 9.464 1.00 1.43 H new ATOM 0 HB3 LYS A 65 8.455 5.812 9.319 1.00 1.43 H new ATOM 0 HG2 LYS A 65 8.648 4.094 11.550 1.00 34.13 H new ATOM 0 HG3 LYS A 65 10.032 5.160 11.699 1.00 34.13 H new ATOM 0 HD2 LYS A 65 8.738 6.936 12.292 1.00 71.54 H new ATOM 0 HD3 LYS A 65 7.614 6.666 10.975 1.00 71.54 H new ATOM 0 HE2 LYS A 65 6.214 5.283 12.256 1.00 72.50 H new ATOM 0 HE3 LYS A 65 7.502 4.793 13.338 1.00 72.50 H new ATOM 0 HZ1 LYS A 65 5.975 6.297 14.417 1.00 33.45 H new ATOM 0 HZ2 LYS A 65 7.509 7.015 14.291 1.00 33.45 H new ATOM 0 HZ3 LYS A 65 6.261 7.489 13.242 1.00 33.45 H new ATOM 1118 N ILE A 66 6.498 3.453 9.262 1.00 24.43 N ATOM 1119 CA ILE A 66 5.312 2.764 9.784 1.00 43.32 C ATOM 1120 C ILE A 66 5.294 1.323 9.271 1.00 51.34 C ATOM 1121 O ILE A 66 4.951 0.416 10.034 1.00 34.45 O ATOM 1122 CB ILE A 66 3.999 3.557 9.548 1.00 22.35 C ATOM 1123 CG1 ILE A 66 3.866 4.731 10.552 1.00 11.24 C ATOM 1124 CG2 ILE A 66 2.755 2.663 9.725 1.00 43.14 C ATOM 1125 CD1 ILE A 66 4.619 5.992 10.139 1.00 63.13 C ATOM 0 H ILE A 66 6.295 4.262 8.674 1.00 24.43 H new ATOM 0 HA ILE A 66 5.376 2.714 10.871 1.00 43.32 H new ATOM 0 HB ILE A 66 4.051 3.930 8.525 1.00 22.35 H new ATOM 0 HG12 ILE A 66 2.810 4.974 10.672 1.00 11.24 H new ATOM 0 HG13 ILE A 66 4.231 4.405 11.526 1.00 11.24 H new ATOM 0 HG21 ILE A 66 1.855 3.253 9.552 1.00 43.14 H new ATOM 0 HG22 ILE A 66 2.793 1.841 9.010 1.00 43.14 H new ATOM 0 HG23 ILE A 66 2.736 2.262 10.738 1.00 43.14 H new ATOM 0 HD11 ILE A 66 4.475 6.765 10.894 1.00 63.13 H new ATOM 0 HD12 ILE A 66 5.682 5.768 10.047 1.00 63.13 H new ATOM 0 HD13 ILE A 66 4.239 6.345 9.181 1.00 63.13 H new ATOM 1137 N ILE A 67 5.678 1.068 8.015 1.00 61.40 N ATOM 1138 CA ILE A 67 5.682 -0.320 7.561 1.00 61.43 C ATOM 1139 C ILE A 67 6.730 -1.085 8.390 1.00 34.35 C ATOM 1140 O ILE A 67 6.397 -2.134 8.945 1.00 62.33 O ATOM 1141 CB ILE A 67 5.835 -0.420 6.031 1.00 23.24 C ATOM 1142 CG1 ILE A 67 4.474 -0.306 5.303 1.00 33.45 C ATOM 1143 CG2 ILE A 67 6.427 -1.778 5.631 1.00 23.34 C ATOM 1144 CD1 ILE A 67 3.675 0.970 5.581 1.00 32.13 C ATOM 0 H ILE A 67 5.974 1.764 7.330 1.00 61.40 H new ATOM 0 HA ILE A 67 4.720 -0.801 7.739 1.00 61.43 H new ATOM 0 HB ILE A 67 6.489 0.403 5.742 1.00 23.24 H new ATOM 0 HG12 ILE A 67 4.651 -0.375 4.230 1.00 33.45 H new ATOM 0 HG13 ILE A 67 3.861 -1.164 5.581 1.00 33.45 H new ATOM 0 HG21 ILE A 67 6.526 -1.826 4.547 1.00 23.34 H new ATOM 0 HG22 ILE A 67 7.408 -1.897 6.091 1.00 23.34 H new ATOM 0 HG23 ILE A 67 5.768 -2.577 5.971 1.00 23.34 H new ATOM 0 HD11 ILE A 67 2.741 0.944 5.020 1.00 32.13 H new ATOM 0 HD12 ILE A 67 3.457 1.038 6.647 1.00 32.13 H new ATOM 0 HD13 ILE A 67 4.258 1.838 5.274 1.00 32.13 H new ATOM 1156 N ARG A 68 7.959 -0.575 8.565 1.00 71.21 N ATOM 1157 CA ARG A 68 8.963 -1.278 9.361 1.00 13.31 C ATOM 1158 C ARG A 68 8.516 -1.422 10.815 1.00 41.43 C ATOM 1159 O ARG A 68 8.867 -2.409 11.454 1.00 54.01 O ATOM 1160 CB ARG A 68 10.288 -0.521 9.306 1.00 41.22 C ATOM 1161 CG ARG A 68 10.929 -0.554 7.917 1.00 42.30 C ATOM 1162 CD ARG A 68 12.271 0.180 7.962 1.00 23.51 C ATOM 1163 NE ARG A 68 13.379 -0.754 7.744 1.00 75.21 N ATOM 1164 CZ ARG A 68 14.659 -0.546 8.084 1.00 71.32 C ATOM 1165 NH1 ARG A 68 15.052 0.627 8.569 1.00 3.43 N ATOM 1166 NH2 ARG A 68 15.551 -1.519 7.947 1.00 15.32 N ATOM 0 H ARG A 68 8.274 0.311 8.169 1.00 71.21 H new ATOM 0 HA ARG A 68 9.089 -2.276 8.942 1.00 13.31 H new ATOM 0 HB2 ARG A 68 10.122 0.515 9.601 1.00 41.22 H new ATOM 0 HB3 ARG A 68 10.979 -0.952 10.031 1.00 41.22 H new ATOM 0 HG2 ARG A 68 11.076 -1.585 7.596 1.00 42.30 H new ATOM 0 HG3 ARG A 68 10.269 -0.084 7.188 1.00 42.30 H new ATOM 0 HD2 ARG A 68 12.291 0.960 7.200 1.00 23.51 H new ATOM 0 HD3 ARG A 68 12.389 0.674 8.927 1.00 23.51 H new ATOM 0 HE ARG A 68 13.156 -1.642 7.293 1.00 75.21 H new ATOM 0 HH11 ARG A 68 14.377 1.382 8.687 1.00 3.43 H new ATOM 0 HH12 ARG A 68 16.029 0.772 8.824 1.00 3.43 H new ATOM 0 HH21 ARG A 68 15.263 -2.427 7.582 1.00 15.32 H new ATOM 0 HH22 ARG A 68 16.524 -1.359 8.206 1.00 15.32 H new ATOM 1180 N ARG A 69 7.726 -0.473 11.329 1.00 20.45 N ATOM 1181 CA ARG A 69 7.212 -0.451 12.691 1.00 31.12 C ATOM 1182 C ARG A 69 6.373 -1.687 12.927 1.00 32.12 C ATOM 1183 O ARG A 69 6.745 -2.493 13.776 1.00 32.23 O ATOM 1184 CB ARG A 69 6.360 0.812 12.908 1.00 2.44 C ATOM 1185 CG ARG A 69 5.966 1.045 14.376 1.00 73.22 C ATOM 1186 CD ARG A 69 6.285 2.477 14.834 1.00 64.23 C ATOM 1187 NE ARG A 69 7.736 2.678 15.012 1.00 63.11 N ATOM 1188 CZ ARG A 69 8.452 2.161 16.015 1.00 63.42 C ATOM 1189 NH1 ARG A 69 7.865 1.517 17.010 1.00 20.31 N ATOM 1190 NH2 ARG A 69 9.767 2.287 15.992 1.00 22.55 N ATOM 0 H ARG A 69 7.418 0.330 10.781 1.00 20.45 H new ATOM 0 HA ARG A 69 8.044 -0.438 13.395 1.00 31.12 H new ATOM 0 HB2 ARG A 69 6.913 1.679 12.547 1.00 2.44 H new ATOM 0 HB3 ARG A 69 5.455 0.737 12.305 1.00 2.44 H new ATOM 0 HG2 ARG A 69 4.900 0.853 14.501 1.00 73.22 H new ATOM 0 HG3 ARG A 69 6.495 0.334 15.011 1.00 73.22 H new ATOM 0 HD2 ARG A 69 5.906 3.188 14.100 1.00 64.23 H new ATOM 0 HD3 ARG A 69 5.770 2.683 15.773 1.00 64.23 H new ATOM 0 HE ARG A 69 8.225 3.250 14.323 1.00 63.11 H new ATOM 0 HH11 ARG A 69 6.851 1.409 17.020 1.00 20.31 H new ATOM 0 HH12 ARG A 69 8.427 1.128 17.768 1.00 20.31 H new ATOM 0 HH21 ARG A 69 10.219 2.773 15.217 1.00 22.55 H new ATOM 0 HH22 ARG A 69 10.330 1.899 16.749 1.00 22.55 H new ATOM 1204 N ARG A 70 5.300 -1.882 12.153 1.00 54.02 N ATOM 1205 CA ARG A 70 4.452 -3.052 12.339 1.00 0.45 C ATOM 1206 C ARG A 70 5.168 -4.336 11.940 1.00 13.43 C ATOM 1207 O ARG A 70 4.883 -5.374 12.523 1.00 32.21 O ATOM 1208 CB ARG A 70 3.089 -2.877 11.670 1.00 33.35 C ATOM 1209 CG ARG A 70 3.150 -2.526 10.182 1.00 32.25 C ATOM 1210 CD ARG A 70 2.098 -3.328 9.408 1.00 72.42 C ATOM 1211 NE ARG A 70 2.415 -4.776 9.375 1.00 34.44 N ATOM 1212 CZ ARG A 70 1.797 -5.773 10.034 1.00 22.40 C ATOM 1213 NH1 ARG A 70 0.758 -5.553 10.830 1.00 72.31 N ATOM 1214 NH2 ARG A 70 2.205 -7.022 9.867 1.00 20.13 N ATOM 0 H ARG A 70 5.006 -1.253 11.405 1.00 54.02 H new ATOM 0 HA ARG A 70 4.245 -3.148 13.405 1.00 0.45 H new ATOM 0 HB2 ARG A 70 2.519 -3.799 11.789 1.00 33.35 H new ATOM 0 HB3 ARG A 70 2.540 -2.093 12.193 1.00 33.35 H new ATOM 0 HG2 ARG A 70 2.978 -1.458 10.045 1.00 32.25 H new ATOM 0 HG3 ARG A 70 4.144 -2.742 9.790 1.00 32.25 H new ATOM 0 HD2 ARG A 70 1.121 -3.182 9.868 1.00 72.42 H new ATOM 0 HD3 ARG A 70 2.031 -2.948 8.388 1.00 72.42 H new ATOM 0 HE ARG A 70 3.197 -5.050 8.780 1.00 34.44 H new ATOM 0 HH11 ARG A 70 0.405 -4.605 10.957 1.00 72.31 H new ATOM 0 HH12 ARG A 70 0.313 -6.332 11.315 1.00 72.31 H new ATOM 0 HH21 ARG A 70 2.984 -7.225 9.241 1.00 20.13 H new ATOM 0 HH22 ARG A 70 1.740 -7.781 10.364 1.00 20.13 H new ATOM 1228 N LEU A 71 6.068 -4.292 10.949 1.00 64.42 N ATOM 1229 CA LEU A 71 6.825 -5.473 10.527 1.00 2.32 C ATOM 1230 C LEU A 71 7.894 -5.841 11.561 1.00 0.14 C ATOM 1231 O LEU A 71 8.418 -6.955 11.505 1.00 2.01 O ATOM 1232 CB LEU A 71 7.519 -5.254 9.171 1.00 41.34 C ATOM 1233 CG LEU A 71 6.597 -5.271 7.938 1.00 15.11 C ATOM 1234 CD1 LEU A 71 7.455 -5.121 6.679 1.00 20.52 C ATOM 1235 CD2 LEU A 71 5.779 -6.560 7.846 1.00 15.03 C ATOM 0 H LEU A 71 6.289 -3.446 10.424 1.00 64.42 H new ATOM 0 HA LEU A 71 6.102 -6.283 10.433 1.00 2.32 H new ATOM 0 HB2 LEU A 71 8.038 -4.296 9.200 1.00 41.34 H new ATOM 0 HB3 LEU A 71 8.279 -6.025 9.044 1.00 41.34 H new ATOM 0 HG LEU A 71 5.893 -4.444 8.030 1.00 15.11 H new ATOM 0 HD11 LEU A 71 6.813 -5.132 5.798 1.00 20.52 H new ATOM 0 HD12 LEU A 71 7.999 -4.178 6.720 1.00 20.52 H new ATOM 0 HD13 LEU A 71 8.164 -5.947 6.621 1.00 20.52 H new ATOM 0 HD21 LEU A 71 5.144 -6.526 6.961 1.00 15.03 H new ATOM 0 HD22 LEU A 71 6.453 -7.414 7.777 1.00 15.03 H new ATOM 0 HD23 LEU A 71 5.157 -6.660 8.735 1.00 15.03 H new ATOM 1247 N GLN A 72 8.219 -4.945 12.502 1.00 43.01 N ATOM 1248 CA GLN A 72 9.232 -5.124 13.543 1.00 54.11 C ATOM 1249 C GLN A 72 10.511 -5.641 12.858 1.00 23.42 C ATOM 1250 O GLN A 72 11.076 -6.679 13.217 1.00 34.22 O ATOM 1251 CB GLN A 72 8.664 -5.970 14.705 1.00 12.03 C ATOM 1252 CG GLN A 72 7.280 -5.449 15.136 1.00 22.14 C ATOM 1253 CD GLN A 72 6.753 -6.001 16.452 1.00 41.01 C ATOM 1254 OE1 GLN A 72 6.762 -7.197 16.719 1.00 32.35 O ATOM 1255 NE2 GLN A 72 6.249 -5.128 17.308 1.00 4.35 N ATOM 0 H GLN A 72 7.761 -4.036 12.558 1.00 43.01 H new ATOM 0 HA GLN A 72 9.512 -4.194 14.037 1.00 54.11 H new ATOM 0 HB2 GLN A 72 8.585 -7.013 14.397 1.00 12.03 H new ATOM 0 HB3 GLN A 72 9.349 -5.939 15.552 1.00 12.03 H new ATOM 0 HG2 GLN A 72 7.327 -4.363 15.211 1.00 22.14 H new ATOM 0 HG3 GLN A 72 6.562 -5.684 14.350 1.00 22.14 H new ATOM 0 HE21 GLN A 72 6.245 -4.134 17.080 1.00 4.35 H new ATOM 0 HE22 GLN A 72 5.865 -5.449 18.197 1.00 4.35 H new ATOM 1264 N LEU A 73 10.891 -4.939 11.780 1.00 75.32 N ATOM 1265 CA LEU A 73 12.031 -5.207 10.902 1.00 24.15 C ATOM 1266 C LEU A 73 13.351 -5.272 11.674 1.00 51.14 C ATOM 1267 O LEU A 73 13.522 -4.580 12.681 1.00 74.41 O ATOM 1268 CB LEU A 73 12.077 -4.129 9.790 1.00 73.24 C ATOM 1269 CG LEU A 73 12.313 -4.621 8.345 1.00 62.14 C ATOM 1270 CD1 LEU A 73 13.629 -5.377 8.148 1.00 33.23 C ATOM 1271 CD2 LEU A 73 11.142 -5.466 7.834 1.00 61.33 C ATOM 0 H LEU A 73 10.372 -4.113 11.482 1.00 75.32 H new ATOM 0 HA LEU A 73 11.898 -6.189 10.448 1.00 24.15 H new ATOM 0 HB2 LEU A 73 11.136 -3.580 9.811 1.00 73.24 H new ATOM 0 HB3 LEU A 73 12.866 -3.419 10.039 1.00 73.24 H new ATOM 0 HG LEU A 73 12.385 -3.709 7.752 1.00 62.14 H new ATOM 0 HD11 LEU A 73 13.718 -5.688 7.107 1.00 33.23 H new ATOM 0 HD12 LEU A 73 14.465 -4.726 8.405 1.00 33.23 H new ATOM 0 HD13 LEU A 73 13.643 -6.256 8.792 1.00 33.23 H new ATOM 0 HD21 LEU A 73 11.347 -5.793 6.814 1.00 61.33 H new ATOM 0 HD22 LEU A 73 11.015 -6.338 8.476 1.00 61.33 H new ATOM 0 HD23 LEU A 73 10.230 -4.870 7.848 1.00 61.33 H new ATOM 1283 N ASN A 74 14.295 -6.074 11.174 1.00 35.21 N ATOM 1284 CA ASN A 74 15.618 -6.259 11.747 1.00 43.40 C ATOM 1285 C ASN A 74 16.382 -4.939 11.739 1.00 63.21 C ATOM 1286 O ASN A 74 16.060 -3.998 11.002 1.00 43.43 O ATOM 1287 CB ASN A 74 16.404 -7.324 10.947 1.00 44.10 C ATOM 1288 CG ASN A 74 16.639 -8.617 11.713 1.00 73.53 C ATOM 1289 OD1 ASN A 74 17.147 -9.637 11.057 1.00 60.13 O flip ATOM 1290 ND2 ASN A 74 16.328 -8.733 12.893 1.00 1.15 N flip ATOM 0 H ASN A 74 14.148 -6.628 10.330 1.00 35.21 H new ATOM 0 HA ASN A 74 15.507 -6.600 12.776 1.00 43.40 H new ATOM 0 HB2 ASN A 74 15.861 -7.550 10.029 1.00 44.10 H new ATOM 0 HB3 ASN A 74 17.367 -6.907 10.653 1.00 44.10 H new ATOM 0 HD21 ASN A 74 15.934 -7.938 13.397 1.00 1.15 H new ATOM 0 HD22 ASN A 74 16.463 -9.624 13.371 1.00 1.15 H new ATOM 1297 N ALA A 75 17.427 -4.883 12.556 1.00 22.45 N ATOM 1298 CA ALA A 75 18.296 -3.722 12.675 1.00 33.34 C ATOM 1299 C ALA A 75 19.537 -3.915 11.808 1.00 71.40 C ATOM 1300 O ALA A 75 20.138 -2.939 11.368 1.00 75.53 O ATOM 1301 CB ALA A 75 18.708 -3.544 14.136 1.00 62.21 C ATOM 0 H ALA A 75 17.697 -5.656 13.164 1.00 22.45 H new ATOM 0 HA ALA A 75 17.762 -2.833 12.338 1.00 33.34 H new ATOM 0 HB1 ALA A 75 19.359 -2.675 14.227 1.00 62.21 H new ATOM 0 HB2 ALA A 75 17.819 -3.397 14.749 1.00 62.21 H new ATOM 0 HB3 ALA A 75 19.240 -4.433 14.475 1.00 62.21 H new ATOM 1307 N ASN A 76 19.890 -5.178 11.574 1.00 61.33 N ATOM 1308 CA ASN A 76 21.022 -5.688 10.806 1.00 72.30 C ATOM 1309 C ASN A 76 20.709 -5.791 9.314 1.00 72.21 C ATOM 1310 O ASN A 76 21.639 -5.953 8.519 1.00 60.41 O ATOM 1311 CB ASN A 76 21.439 -7.041 11.402 1.00 44.23 C ATOM 1312 CG ASN A 76 20.229 -7.940 11.543 1.00 13.23 C ATOM 1313 OD1 ASN A 76 19.418 -7.759 12.447 1.00 60.12 O ATOM 1314 ND2 ASN A 76 19.980 -8.773 10.567 1.00 32.24 N ATOM 0 H ASN A 76 19.335 -5.944 11.956 1.00 61.33 H new ATOM 0 HA ASN A 76 21.853 -4.986 10.879 1.00 72.30 H new ATOM 0 HB2 ASN A 76 22.182 -7.516 10.762 1.00 44.23 H new ATOM 0 HB3 ASN A 76 21.906 -6.890 12.375 1.00 44.23 H new ATOM 0 HD21 ASN A 76 19.099 -9.287 10.547 1.00 32.24 H new ATOM 0 HD22 ASN A 76 20.667 -8.909 9.825 1.00 32.24 H new ATOM 1321 N GLN A 77 19.437 -5.666 8.914 1.00 4.34 N ATOM 1322 CA GLN A 77 19.030 -5.736 7.513 1.00 75.23 C ATOM 1323 C GLN A 77 18.284 -4.469 7.105 1.00 54.01 C ATOM 1324 O GLN A 77 17.698 -3.780 7.947 1.00 1.32 O ATOM 1325 CB GLN A 77 18.215 -7.013 7.219 1.00 54.12 C ATOM 1326 CG GLN A 77 16.686 -6.832 7.234 1.00 31.42 C ATOM 1327 CD GLN A 77 15.928 -8.126 6.954 1.00 53.11 C ATOM 1328 OE1 GLN A 77 15.100 -8.557 7.752 1.00 20.55 O ATOM 1329 NE2 GLN A 77 16.156 -8.735 5.802 1.00 74.13 N ATOM 0 H GLN A 77 18.662 -5.513 9.559 1.00 4.34 H new ATOM 0 HA GLN A 77 19.930 -5.798 6.902 1.00 75.23 H new ATOM 0 HB2 GLN A 77 18.510 -7.396 6.242 1.00 54.12 H new ATOM 0 HB3 GLN A 77 18.482 -7.773 7.954 1.00 54.12 H new ATOM 0 HG2 GLN A 77 16.382 -6.442 8.205 1.00 31.42 H new ATOM 0 HG3 GLN A 77 16.407 -6.086 6.490 1.00 31.42 H new ATOM 0 HE21 GLN A 77 16.849 -8.359 5.155 1.00 74.13 H new ATOM 0 HE22 GLN A 77 15.639 -9.581 5.561 1.00 74.13 H new ATOM 1338 N ALA A 78 18.374 -4.139 5.821 1.00 63.41 N ATOM 1339 CA ALA A 78 17.727 -3.013 5.165 1.00 4.05 C ATOM 1340 C ALA A 78 16.822 -3.575 4.066 1.00 32.45 C ATOM 1341 O ALA A 78 16.889 -4.767 3.762 1.00 75.24 O ATOM 1342 CB ALA A 78 18.780 -2.055 4.603 1.00 61.53 C ATOM 0 H ALA A 78 18.937 -4.687 5.171 1.00 63.41 H new ATOM 0 HA ALA A 78 17.125 -2.440 5.870 1.00 4.05 H new ATOM 0 HB1 ALA A 78 18.285 -1.216 4.114 1.00 61.53 H new ATOM 0 HB2 ALA A 78 19.405 -1.684 5.415 1.00 61.53 H new ATOM 0 HB3 ALA A 78 19.401 -2.582 3.879 1.00 61.53 H new ATOM 1348 N PHE A 79 15.985 -2.733 3.467 1.00 64.50 N ATOM 1349 CA PHE A 79 15.088 -3.116 2.384 1.00 43.42 C ATOM 1350 C PHE A 79 14.856 -1.907 1.466 1.00 61.52 C ATOM 1351 O PHE A 79 15.313 -0.799 1.766 1.00 33.15 O ATOM 1352 CB PHE A 79 13.776 -3.685 2.946 1.00 53.22 C ATOM 1353 CG PHE A 79 12.728 -2.648 3.272 1.00 12.32 C ATOM 1354 CD1 PHE A 79 12.951 -1.711 4.290 1.00 15.31 C ATOM 1355 CD2 PHE A 79 11.587 -2.541 2.461 1.00 32.15 C ATOM 1356 CE1 PHE A 79 12.072 -0.631 4.447 1.00 33.14 C ATOM 1357 CE2 PHE A 79 10.687 -1.480 2.639 1.00 44.40 C ATOM 1358 CZ PHE A 79 10.940 -0.513 3.623 1.00 11.04 C ATOM 0 H PHE A 79 15.911 -1.749 3.726 1.00 64.50 H new ATOM 0 HA PHE A 79 15.542 -3.908 1.788 1.00 43.42 H new ATOM 0 HB2 PHE A 79 13.361 -4.387 2.223 1.00 53.22 H new ATOM 0 HB3 PHE A 79 13.999 -4.253 3.849 1.00 53.22 H new ATOM 0 HD1 PHE A 79 13.798 -1.821 4.951 1.00 15.31 H new ATOM 0 HD2 PHE A 79 11.401 -3.280 1.696 1.00 32.15 H new ATOM 0 HE1 PHE A 79 12.265 0.114 5.205 1.00 33.14 H new ATOM 0 HE2 PHE A 79 9.804 -1.408 2.022 1.00 44.40 H new ATOM 0 HZ PHE A 79 10.266 0.321 3.747 1.00 11.04 H new ATOM 1368 N PHE A 80 14.129 -2.108 0.370 1.00 75.33 N ATOM 1369 CA PHE A 80 13.793 -1.096 -0.617 1.00 31.41 C ATOM 1370 C PHE A 80 12.294 -1.114 -0.843 1.00 52.32 C ATOM 1371 O PHE A 80 11.643 -2.158 -0.731 1.00 23.22 O ATOM 1372 CB PHE A 80 14.549 -1.338 -1.934 1.00 75.52 C ATOM 1373 CG PHE A 80 16.055 -1.343 -1.738 1.00 55.33 C ATOM 1374 CD1 PHE A 80 16.708 -2.495 -1.265 1.00 23.12 C ATOM 1375 CD2 PHE A 80 16.797 -0.171 -1.962 1.00 60.34 C ATOM 1376 CE1 PHE A 80 18.100 -2.498 -1.075 1.00 22.45 C ATOM 1377 CE2 PHE A 80 18.186 -0.161 -1.754 1.00 24.44 C ATOM 1378 CZ PHE A 80 18.839 -1.333 -1.337 1.00 20.31 C ATOM 0 H PHE A 80 13.743 -3.023 0.139 1.00 75.33 H new ATOM 0 HA PHE A 80 14.094 -0.116 -0.248 1.00 31.41 H new ATOM 0 HB2 PHE A 80 14.237 -2.291 -2.360 1.00 75.52 H new ATOM 0 HB3 PHE A 80 14.280 -0.564 -2.653 1.00 75.52 H new ATOM 0 HD1 PHE A 80 16.135 -3.384 -1.046 1.00 23.12 H new ATOM 0 HD2 PHE A 80 16.297 0.726 -2.296 1.00 60.34 H new ATOM 0 HE1 PHE A 80 18.599 -3.391 -0.729 1.00 22.45 H new ATOM 0 HE2 PHE A 80 18.751 0.746 -1.914 1.00 24.44 H new ATOM 0 HZ PHE A 80 19.912 -1.338 -1.218 1.00 20.31 H new ATOM 1388 N LEU A 81 11.771 0.060 -1.179 1.00 15.44 N ATOM 1389 CA LEU A 81 10.377 0.350 -1.453 1.00 11.24 C ATOM 1390 C LEU A 81 10.369 1.020 -2.823 1.00 74.50 C ATOM 1391 O LEU A 81 10.764 2.178 -2.972 1.00 45.00 O ATOM 1392 CB LEU A 81 9.835 1.237 -0.326 1.00 43.34 C ATOM 1393 CG LEU A 81 8.424 1.749 -0.624 1.00 4.41 C ATOM 1394 CD1 LEU A 81 7.446 0.604 -0.902 1.00 32.23 C ATOM 1395 CD2 LEU A 81 7.923 2.576 0.557 1.00 73.50 C ATOM 0 H LEU A 81 12.356 0.890 -1.272 1.00 15.44 H new ATOM 0 HA LEU A 81 9.731 -0.527 -1.481 1.00 11.24 H new ATOM 0 HB2 LEU A 81 9.826 0.672 0.606 1.00 43.34 H new ATOM 0 HB3 LEU A 81 10.504 2.085 -0.179 1.00 43.34 H new ATOM 0 HG LEU A 81 8.475 2.365 -1.521 1.00 4.41 H new ATOM 0 HD11 LEU A 81 6.457 1.013 -1.109 1.00 32.23 H new ATOM 0 HD12 LEU A 81 7.790 0.033 -1.764 1.00 32.23 H new ATOM 0 HD13 LEU A 81 7.394 -0.050 -0.031 1.00 32.23 H new ATOM 0 HD21 LEU A 81 6.918 2.941 0.345 1.00 73.50 H new ATOM 0 HD22 LEU A 81 7.903 1.956 1.453 1.00 73.50 H new ATOM 0 HD23 LEU A 81 8.590 3.423 0.717 1.00 73.50 H new ATOM 1407 N LEU A 82 9.965 0.248 -3.822 1.00 62.44 N ATOM 1408 CA LEU A 82 9.897 0.579 -5.227 1.00 4.34 C ATOM 1409 C LEU A 82 8.448 0.944 -5.598 1.00 70.41 C ATOM 1410 O LEU A 82 7.498 0.416 -5.007 1.00 4.24 O ATOM 1411 CB LEU A 82 10.424 -0.671 -5.957 1.00 22.12 C ATOM 1412 CG LEU A 82 11.686 -1.357 -5.355 1.00 34.42 C ATOM 1413 CD1 LEU A 82 12.829 -0.434 -4.989 1.00 51.04 C ATOM 1414 CD2 LEU A 82 11.415 -2.404 -4.264 1.00 12.03 C ATOM 0 H LEU A 82 9.651 -0.707 -3.648 1.00 62.44 H new ATOM 0 HA LEU A 82 10.494 1.448 -5.505 1.00 4.34 H new ATOM 0 HB2 LEU A 82 9.621 -1.408 -5.992 1.00 22.12 H new ATOM 0 HB3 LEU A 82 10.647 -0.394 -6.987 1.00 22.12 H new ATOM 0 HG LEU A 82 12.040 -1.920 -6.219 1.00 34.42 H new ATOM 0 HD11 LEU A 82 13.653 -1.019 -4.580 1.00 51.04 H new ATOM 0 HD12 LEU A 82 13.168 0.096 -5.879 1.00 51.04 H new ATOM 0 HD13 LEU A 82 12.491 0.286 -4.244 1.00 51.04 H new ATOM 0 HD21 LEU A 82 12.361 -2.819 -3.915 1.00 12.03 H new ATOM 0 HD22 LEU A 82 10.895 -1.934 -3.430 1.00 12.03 H new ATOM 0 HD23 LEU A 82 10.797 -3.204 -4.673 1.00 12.03 H new ATOM 1426 N VAL A 83 8.245 1.871 -6.535 1.00 13.32 N ATOM 1427 CA VAL A 83 6.926 2.322 -7.005 1.00 61.23 C ATOM 1428 C VAL A 83 6.662 1.530 -8.275 1.00 24.14 C ATOM 1429 O VAL A 83 7.525 1.510 -9.150 1.00 13.34 O ATOM 1430 CB VAL A 83 6.926 3.844 -7.257 1.00 33.55 C ATOM 1431 CG1 VAL A 83 5.639 4.333 -7.930 1.00 72.52 C ATOM 1432 CG2 VAL A 83 7.119 4.642 -5.960 1.00 23.41 C ATOM 0 H VAL A 83 9.015 2.346 -7.005 1.00 13.32 H new ATOM 0 HA VAL A 83 6.142 2.150 -6.268 1.00 61.23 H new ATOM 0 HB VAL A 83 7.767 4.018 -7.928 1.00 33.55 H new ATOM 0 HG11 VAL A 83 5.695 5.411 -8.083 1.00 72.52 H new ATOM 0 HG12 VAL A 83 5.520 3.836 -8.893 1.00 72.52 H new ATOM 0 HG13 VAL A 83 4.785 4.101 -7.294 1.00 72.52 H new ATOM 0 HG21 VAL A 83 7.113 5.709 -6.185 1.00 23.41 H new ATOM 0 HG22 VAL A 83 6.309 4.412 -5.267 1.00 23.41 H new ATOM 0 HG23 VAL A 83 8.072 4.373 -5.506 1.00 23.41 H new ATOM 1442 N ASN A 84 5.532 0.821 -8.366 1.00 25.53 N ATOM 1443 CA ASN A 84 5.177 -0.020 -9.523 1.00 32.43 C ATOM 1444 C ASN A 84 6.211 -1.136 -9.779 1.00 53.22 C ATOM 1445 O ASN A 84 6.059 -1.925 -10.707 1.00 32.14 O ATOM 1446 CB ASN A 84 4.905 0.820 -10.791 1.00 5.25 C ATOM 1447 CG ASN A 84 3.539 1.479 -10.729 1.00 64.30 C ATOM 1448 OD1 ASN A 84 2.541 0.767 -10.686 1.00 71.14 O ATOM 1449 ND2 ASN A 84 3.458 2.797 -10.733 1.00 41.40 N ATOM 0 H ASN A 84 4.826 0.812 -7.630 1.00 25.53 H new ATOM 0 HA ASN A 84 4.242 -0.517 -9.267 1.00 32.43 H new ATOM 0 HB2 ASN A 84 5.676 1.583 -10.897 1.00 5.25 H new ATOM 0 HB3 ASN A 84 4.965 0.182 -11.673 1.00 5.25 H new ATOM 0 HD21 ASN A 84 2.546 3.252 -10.700 1.00 41.40 H new ATOM 0 HD22 ASN A 84 4.308 3.360 -10.769 1.00 41.40 H new ATOM 1456 N GLY A 85 7.230 -1.266 -8.926 1.00 23.14 N ATOM 1457 CA GLY A 85 8.312 -2.236 -9.004 1.00 72.50 C ATOM 1458 C GLY A 85 9.629 -1.570 -9.383 1.00 24.51 C ATOM 1459 O GLY A 85 10.607 -2.276 -9.618 1.00 64.21 O ATOM 0 H GLY A 85 7.322 -0.656 -8.114 1.00 23.14 H new ATOM 0 HA2 GLY A 85 8.421 -2.740 -8.044 1.00 72.50 H new ATOM 0 HA3 GLY A 85 8.064 -3.001 -9.740 1.00 72.50 H new ATOM 1463 N HIS A 86 9.696 -0.236 -9.392 1.00 50.04 N ATOM 1464 CA HIS A 86 10.871 0.528 -9.768 1.00 4.11 C ATOM 1465 C HIS A 86 11.151 1.647 -8.764 1.00 71.54 C ATOM 1466 O HIS A 86 10.262 2.433 -8.446 1.00 41.41 O ATOM 1467 CB HIS A 86 10.600 1.133 -11.159 1.00 23.11 C ATOM 1468 CG HIS A 86 10.047 0.146 -12.163 1.00 63.52 C ATOM 1469 ND1 HIS A 86 10.776 -0.798 -12.851 1.00 33.45 N ATOM 1470 CD2 HIS A 86 8.729 -0.020 -12.501 1.00 1.14 C ATOM 1471 CE1 HIS A 86 9.922 -1.534 -13.583 1.00 11.31 C ATOM 1472 NE2 HIS A 86 8.673 -1.055 -13.441 1.00 30.52 N ATOM 0 H HIS A 86 8.906 0.353 -9.129 1.00 50.04 H new ATOM 0 HA HIS A 86 11.745 -0.123 -9.782 1.00 4.11 H new ATOM 0 HB2 HIS A 86 9.898 1.960 -11.053 1.00 23.11 H new ATOM 0 HB3 HIS A 86 11.528 1.551 -11.549 1.00 23.11 H new ATOM 0 HD2 HIS A 86 7.892 0.542 -12.115 1.00 1.14 H new ATOM 0 HE1 HIS A 86 10.197 -2.382 -14.193 1.00 11.31 H new ATOM 0 HE2 HIS A 86 7.840 -1.385 -13.928 1.00 30.52 H new ATOM 1480 N SER A 87 12.357 1.707 -8.199 1.00 61.31 N ATOM 1481 CA SER A 87 12.734 2.770 -7.280 1.00 34.34 C ATOM 1482 C SER A 87 12.797 4.038 -8.146 1.00 42.01 C ATOM 1483 O SER A 87 13.735 4.192 -8.930 1.00 72.53 O ATOM 1484 CB SER A 87 14.091 2.513 -6.616 1.00 12.31 C ATOM 1485 OG SER A 87 13.931 2.411 -5.216 1.00 10.01 O ATOM 0 H SER A 87 13.094 1.022 -8.367 1.00 61.31 H new ATOM 0 HA SER A 87 12.018 2.849 -6.462 1.00 34.34 H new ATOM 0 HB2 SER A 87 14.529 1.595 -7.008 1.00 12.31 H new ATOM 0 HB3 SER A 87 14.781 3.323 -6.854 1.00 12.31 H new ATOM 0 HG SER A 87 14.802 2.245 -4.798 1.00 10.01 H new ATOM 1491 N MET A 88 11.783 4.896 -8.043 1.00 10.23 N ATOM 1492 CA MET A 88 11.605 6.160 -8.767 1.00 63.53 C ATOM 1493 C MET A 88 11.185 7.298 -7.821 1.00 1.02 C ATOM 1494 O MET A 88 10.492 8.232 -8.230 1.00 23.44 O ATOM 1495 CB MET A 88 10.680 5.987 -9.988 1.00 51.12 C ATOM 1496 CG MET A 88 9.259 5.558 -9.615 1.00 25.25 C ATOM 1497 SD MET A 88 8.048 5.521 -10.962 1.00 24.54 S ATOM 1498 CE MET A 88 7.883 7.289 -11.334 1.00 44.32 C ATOM 0 H MET A 88 11.007 4.716 -7.406 1.00 10.23 H new ATOM 0 HA MET A 88 12.571 6.460 -9.173 1.00 63.53 H new ATOM 0 HB2 MET A 88 10.636 6.927 -10.538 1.00 51.12 H new ATOM 0 HB3 MET A 88 11.112 5.245 -10.660 1.00 51.12 H new ATOM 0 HG2 MET A 88 9.308 4.563 -9.172 1.00 25.25 H new ATOM 0 HG3 MET A 88 8.890 6.233 -8.843 1.00 25.25 H new ATOM 0 HE1 MET A 88 7.057 7.439 -12.030 1.00 44.32 H new ATOM 0 HE2 MET A 88 7.686 7.838 -10.413 1.00 44.32 H new ATOM 0 HE3 MET A 88 8.807 7.654 -11.783 1.00 44.32 H new ATOM 1508 N VAL A 89 11.370 7.126 -6.510 1.00 45.11 N ATOM 1509 CA VAL A 89 11.000 8.112 -5.500 1.00 14.41 C ATOM 1510 C VAL A 89 12.154 8.318 -4.509 1.00 51.33 C ATOM 1511 O VAL A 89 13.034 7.458 -4.408 1.00 30.41 O ATOM 1512 CB VAL A 89 9.687 7.614 -4.858 1.00 45.23 C ATOM 1513 CG1 VAL A 89 9.829 6.248 -4.164 1.00 51.30 C ATOM 1514 CG2 VAL A 89 9.103 8.634 -3.885 1.00 44.03 C ATOM 0 H VAL A 89 11.788 6.283 -6.117 1.00 45.11 H new ATOM 0 HA VAL A 89 10.823 9.101 -5.923 1.00 14.41 H new ATOM 0 HB VAL A 89 8.995 7.486 -5.690 1.00 45.23 H new ATOM 0 HG11 VAL A 89 8.871 5.957 -3.734 1.00 51.30 H new ATOM 0 HG12 VAL A 89 10.142 5.500 -4.893 1.00 51.30 H new ATOM 0 HG13 VAL A 89 10.575 6.318 -3.373 1.00 51.30 H new ATOM 0 HG21 VAL A 89 8.180 8.242 -3.457 1.00 44.03 H new ATOM 0 HG22 VAL A 89 9.820 8.827 -3.087 1.00 44.03 H new ATOM 0 HG23 VAL A 89 8.891 9.563 -4.415 1.00 44.03 H new ATOM 1524 N SER A 90 12.177 9.441 -3.784 1.00 4.35 N ATOM 1525 CA SER A 90 13.193 9.763 -2.788 1.00 54.32 C ATOM 1526 C SER A 90 12.561 9.757 -1.395 1.00 52.02 C ATOM 1527 O SER A 90 11.362 9.986 -1.227 1.00 31.54 O ATOM 1528 CB SER A 90 13.862 11.107 -3.115 1.00 64.31 C ATOM 1529 OG SER A 90 15.048 10.885 -3.852 1.00 54.00 O ATOM 0 H SER A 90 11.468 10.168 -3.880 1.00 4.35 H new ATOM 0 HA SER A 90 13.978 9.007 -2.806 1.00 54.32 H new ATOM 0 HB2 SER A 90 13.179 11.734 -3.688 1.00 64.31 H new ATOM 0 HB3 SER A 90 14.090 11.644 -2.194 1.00 64.31 H new ATOM 0 HG SER A 90 15.470 11.745 -4.060 1.00 54.00 H new ATOM 1535 N VAL A 91 13.394 9.551 -0.374 1.00 54.12 N ATOM 1536 CA VAL A 91 12.999 9.487 1.032 1.00 1.43 C ATOM 1537 C VAL A 91 12.349 10.788 1.559 1.00 51.42 C ATOM 1538 O VAL A 91 11.710 10.776 2.617 1.00 35.11 O ATOM 1539 CB VAL A 91 14.227 9.001 1.836 1.00 55.20 C ATOM 1540 CG1 VAL A 91 15.302 10.081 2.002 1.00 53.33 C ATOM 1541 CG2 VAL A 91 13.842 8.408 3.194 1.00 51.20 C ATOM 0 H VAL A 91 14.396 9.420 -0.509 1.00 54.12 H new ATOM 0 HA VAL A 91 12.189 8.769 1.159 1.00 1.43 H new ATOM 0 HB VAL A 91 14.662 8.203 1.235 1.00 55.20 H new ATOM 0 HG11 VAL A 91 16.137 9.678 2.575 1.00 53.33 H new ATOM 0 HG12 VAL A 91 15.654 10.398 1.020 1.00 53.33 H new ATOM 0 HG13 VAL A 91 14.880 10.937 2.529 1.00 53.33 H new ATOM 0 HG21 VAL A 91 14.741 8.083 3.717 1.00 51.20 H new ATOM 0 HG22 VAL A 91 13.330 9.164 3.789 1.00 51.20 H new ATOM 0 HG23 VAL A 91 13.181 7.555 3.044 1.00 51.20 H new ATOM 1551 N SER A 92 12.453 11.896 0.815 1.00 3.05 N ATOM 1552 CA SER A 92 11.907 13.199 1.174 1.00 0.45 C ATOM 1553 C SER A 92 10.744 13.645 0.264 1.00 12.13 C ATOM 1554 O SER A 92 10.250 14.758 0.426 1.00 42.24 O ATOM 1555 CB SER A 92 13.069 14.212 1.205 1.00 20.54 C ATOM 1556 OG SER A 92 12.943 15.169 2.247 1.00 41.44 O ATOM 0 H SER A 92 12.937 11.904 -0.083 1.00 3.05 H new ATOM 0 HA SER A 92 11.453 13.136 2.163 1.00 0.45 H new ATOM 0 HB2 SER A 92 14.009 13.674 1.325 1.00 20.54 H new ATOM 0 HB3 SER A 92 13.118 14.730 0.247 1.00 20.54 H new ATOM 0 HG SER A 92 13.706 15.784 2.221 1.00 41.44 H new ATOM 1562 N THR A 93 10.282 12.822 -0.681 1.00 74.14 N ATOM 1563 CA THR A 93 9.185 13.204 -1.572 1.00 71.34 C ATOM 1564 C THR A 93 7.829 12.951 -0.872 1.00 2.25 C ATOM 1565 O THR A 93 7.621 11.834 -0.382 1.00 71.52 O ATOM 1566 CB THR A 93 9.287 12.403 -2.888 1.00 41.00 C ATOM 1567 OG1 THR A 93 10.629 12.272 -3.347 1.00 14.23 O ATOM 1568 CG2 THR A 93 8.475 13.067 -4.003 1.00 32.23 C ATOM 0 H THR A 93 10.651 11.886 -0.848 1.00 74.14 H new ATOM 0 HA THR A 93 9.254 14.266 -1.807 1.00 71.34 H new ATOM 0 HB THR A 93 8.890 11.414 -2.660 1.00 41.00 H new ATOM 0 HG1 THR A 93 10.628 12.053 -4.302 1.00 14.23 H new ATOM 0 HG21 THR A 93 8.566 12.481 -4.918 1.00 32.23 H new ATOM 0 HG22 THR A 93 7.427 13.120 -3.708 1.00 32.23 H new ATOM 0 HG23 THR A 93 8.853 14.074 -4.178 1.00 32.23 H new ATOM 1576 N PRO A 94 6.898 13.925 -0.793 1.00 22.44 N ATOM 1577 CA PRO A 94 5.597 13.720 -0.159 1.00 63.12 C ATOM 1578 C PRO A 94 4.759 12.742 -0.986 1.00 41.20 C ATOM 1579 O PRO A 94 4.755 12.771 -2.227 1.00 72.52 O ATOM 1580 CB PRO A 94 4.932 15.090 -0.049 1.00 54.32 C ATOM 1581 CG PRO A 94 5.637 15.930 -1.110 1.00 44.01 C ATOM 1582 CD PRO A 94 7.008 15.280 -1.303 1.00 15.22 C ATOM 0 HA PRO A 94 5.699 13.281 0.834 1.00 63.12 H new ATOM 0 HB2 PRO A 94 3.860 15.029 -0.236 1.00 54.32 H new ATOM 0 HB3 PRO A 94 5.059 15.516 0.946 1.00 54.32 H new ATOM 0 HG2 PRO A 94 5.072 15.939 -2.042 1.00 44.01 H new ATOM 0 HG3 PRO A 94 5.736 16.966 -0.788 1.00 44.01 H new ATOM 0 HD2 PRO A 94 7.291 15.276 -2.356 1.00 15.22 H new ATOM 0 HD3 PRO A 94 7.779 15.834 -0.768 1.00 15.22 H new ATOM 1590 N ILE A 95 3.988 11.905 -0.293 1.00 74.20 N ATOM 1591 CA ILE A 95 3.167 10.902 -0.952 1.00 2.35 C ATOM 1592 C ILE A 95 2.112 11.522 -1.870 1.00 12.43 C ATOM 1593 O ILE A 95 1.661 10.838 -2.781 1.00 21.44 O ATOM 1594 CB ILE A 95 2.619 9.909 0.095 1.00 21.23 C ATOM 1595 CG1 ILE A 95 2.187 8.535 -0.454 1.00 44.03 C ATOM 1596 CG2 ILE A 95 1.459 10.519 0.879 1.00 40.02 C ATOM 1597 CD1 ILE A 95 3.292 7.824 -1.237 1.00 53.21 C ATOM 0 H ILE A 95 3.918 11.905 0.725 1.00 74.20 H new ATOM 0 HA ILE A 95 3.785 10.320 -1.636 1.00 2.35 H new ATOM 0 HB ILE A 95 3.473 9.720 0.745 1.00 21.23 H new ATOM 0 HG12 ILE A 95 1.874 7.902 0.376 1.00 44.03 H new ATOM 0 HG13 ILE A 95 1.319 8.666 -1.100 1.00 44.03 H new ATOM 0 HG21 ILE A 95 1.094 9.797 1.609 1.00 40.02 H new ATOM 0 HG22 ILE A 95 1.801 11.416 1.396 1.00 40.02 H new ATOM 0 HG23 ILE A 95 0.654 10.780 0.193 1.00 40.02 H new ATOM 0 HD11 ILE A 95 2.923 6.863 -1.596 1.00 53.21 H new ATOM 0 HD12 ILE A 95 3.589 8.439 -2.087 1.00 53.21 H new ATOM 0 HD13 ILE A 95 4.152 7.663 -0.587 1.00 53.21 H new ATOM 1609 N SER A 96 1.732 12.791 -1.670 1.00 52.03 N ATOM 1610 CA SER A 96 0.742 13.442 -2.517 1.00 1.44 C ATOM 1611 C SER A 96 1.268 13.564 -3.952 1.00 64.30 C ATOM 1612 O SER A 96 0.555 13.191 -4.887 1.00 71.22 O ATOM 1613 CB SER A 96 0.367 14.802 -1.917 1.00 41.12 C ATOM 1614 OG SER A 96 -0.639 15.453 -2.668 1.00 72.21 O ATOM 0 H SER A 96 2.100 13.383 -0.925 1.00 52.03 H new ATOM 0 HA SER A 96 -0.164 12.837 -2.560 1.00 1.44 H new ATOM 0 HB2 SER A 96 0.022 14.664 -0.892 1.00 41.12 H new ATOM 0 HB3 SER A 96 1.253 15.435 -1.872 1.00 41.12 H new ATOM 0 HG SER A 96 -0.851 16.315 -2.253 1.00 72.21 H new ATOM 1620 N GLU A 97 2.482 14.098 -4.148 1.00 75.50 N ATOM 1621 CA GLU A 97 3.020 14.228 -5.498 1.00 14.25 C ATOM 1622 C GLU A 97 3.424 12.850 -6.022 1.00 21.24 C ATOM 1623 O GLU A 97 3.232 12.593 -7.209 1.00 32.44 O ATOM 1624 CB GLU A 97 4.085 15.330 -5.606 1.00 72.14 C ATOM 1625 CG GLU A 97 5.409 15.056 -4.889 1.00 24.55 C ATOM 1626 CD GLU A 97 6.243 16.338 -4.785 1.00 12.04 C ATOM 1627 OE1 GLU A 97 5.815 17.292 -4.092 1.00 3.14 O ATOM 1628 OE2 GLU A 97 7.326 16.409 -5.401 1.00 54.40 O ATOM 0 H GLU A 97 3.093 14.438 -3.405 1.00 75.50 H new ATOM 0 HA GLU A 97 2.244 14.588 -6.173 1.00 14.25 H new ATOM 0 HB2 GLU A 97 4.295 15.502 -6.662 1.00 72.14 H new ATOM 0 HB3 GLU A 97 3.664 16.254 -5.210 1.00 72.14 H new ATOM 0 HG2 GLU A 97 5.214 14.661 -3.892 1.00 24.55 H new ATOM 0 HG3 GLU A 97 5.970 14.294 -5.429 1.00 24.55 H new ATOM 1635 N VAL A 98 3.928 11.940 -5.168 1.00 1.12 N ATOM 1636 CA VAL A 98 4.284 10.585 -5.626 1.00 32.44 C ATOM 1637 C VAL A 98 3.027 9.951 -6.236 1.00 4.23 C ATOM 1638 O VAL A 98 3.067 9.448 -7.362 1.00 3.22 O ATOM 1639 CB VAL A 98 4.854 9.757 -4.454 1.00 51.12 C ATOM 1640 CG1 VAL A 98 5.110 8.284 -4.813 1.00 33.53 C ATOM 1641 CG2 VAL A 98 6.182 10.362 -3.990 1.00 64.14 C ATOM 0 H VAL A 98 4.095 12.113 -4.177 1.00 1.12 H new ATOM 0 HA VAL A 98 5.065 10.619 -6.385 1.00 32.44 H new ATOM 0 HB VAL A 98 4.098 9.787 -3.669 1.00 51.12 H new ATOM 0 HG11 VAL A 98 5.510 7.762 -3.944 1.00 33.53 H new ATOM 0 HG12 VAL A 98 4.174 7.816 -5.119 1.00 33.53 H new ATOM 0 HG13 VAL A 98 5.828 8.228 -5.631 1.00 33.53 H new ATOM 0 HG21 VAL A 98 6.580 9.774 -3.163 1.00 64.14 H new ATOM 0 HG22 VAL A 98 6.893 10.355 -4.816 1.00 64.14 H new ATOM 0 HG23 VAL A 98 6.019 11.388 -3.661 1.00 64.14 H new ATOM 1651 N TYR A 99 1.916 10.029 -5.505 1.00 51.11 N ATOM 1652 CA TYR A 99 0.628 9.507 -5.898 1.00 23.24 C ATOM 1653 C TYR A 99 0.231 10.058 -7.251 1.00 42.22 C ATOM 1654 O TYR A 99 0.091 9.284 -8.187 1.00 4.35 O ATOM 1655 CB TYR A 99 -0.405 9.893 -4.839 1.00 4.02 C ATOM 1656 CG TYR A 99 -1.854 9.573 -5.136 1.00 4.04 C ATOM 1657 CD1 TYR A 99 -2.208 8.429 -5.872 1.00 54.45 C ATOM 1658 CD2 TYR A 99 -2.858 10.410 -4.615 1.00 32.42 C ATOM 1659 CE1 TYR A 99 -3.558 8.094 -6.039 1.00 10.21 C ATOM 1660 CE2 TYR A 99 -4.213 10.071 -4.766 1.00 31.21 C ATOM 1661 CZ TYR A 99 -4.570 8.897 -5.462 1.00 64.45 C ATOM 1662 OH TYR A 99 -5.881 8.567 -5.594 1.00 10.22 O ATOM 0 H TYR A 99 1.898 10.477 -4.589 1.00 51.11 H new ATOM 0 HA TYR A 99 0.679 8.421 -5.977 1.00 23.24 H new ATOM 0 HB2 TYR A 99 -0.134 9.398 -3.907 1.00 4.02 H new ATOM 0 HB3 TYR A 99 -0.325 10.966 -4.665 1.00 4.02 H new ATOM 0 HD1 TYR A 99 -1.439 7.808 -6.309 1.00 54.45 H new ATOM 0 HD2 TYR A 99 -2.586 11.317 -4.097 1.00 32.42 H new ATOM 0 HE1 TYR A 99 -3.828 7.218 -6.611 1.00 10.21 H new ATOM 0 HE2 TYR A 99 -4.980 10.708 -4.350 1.00 31.21 H new ATOM 0 HH TYR A 99 -5.969 7.593 -5.649 1.00 10.22 H new ATOM 1672 N GLU A 100 0.060 11.373 -7.409 1.00 71.51 N ATOM 1673 CA GLU A 100 -0.346 11.876 -8.716 1.00 74.54 C ATOM 1674 C GLU A 100 0.695 11.675 -9.827 1.00 70.13 C ATOM 1675 O GLU A 100 0.328 11.807 -11.003 1.00 74.30 O ATOM 1676 CB GLU A 100 -0.961 13.269 -8.663 1.00 42.42 C ATOM 1677 CG GLU A 100 -0.096 14.372 -8.062 1.00 41.10 C ATOM 1678 CD GLU A 100 -0.560 15.733 -8.592 1.00 13.25 C ATOM 1679 OE1 GLU A 100 -1.784 16.003 -8.598 1.00 42.21 O ATOM 1680 OE2 GLU A 100 0.288 16.496 -9.112 1.00 52.43 O ATOM 0 H GLU A 100 0.190 12.078 -6.683 1.00 71.51 H new ATOM 0 HA GLU A 100 -1.165 11.226 -9.024 1.00 74.54 H new ATOM 0 HB2 GLU A 100 -1.231 13.562 -9.678 1.00 42.42 H new ATOM 0 HB3 GLU A 100 -1.887 13.212 -8.091 1.00 42.42 H new ATOM 0 HG2 GLU A 100 -0.165 14.351 -6.974 1.00 41.10 H new ATOM 0 HG3 GLU A 100 0.951 14.208 -8.318 1.00 41.10 H new ATOM 1687 N SER A 101 1.938 11.318 -9.491 1.00 61.20 N ATOM 1688 CA SER A 101 2.997 11.093 -10.460 1.00 74.53 C ATOM 1689 C SER A 101 2.950 9.663 -11.011 1.00 22.34 C ATOM 1690 O SER A 101 3.275 9.477 -12.186 1.00 30.25 O ATOM 1691 CB SER A 101 4.356 11.425 -9.811 1.00 73.44 C ATOM 1692 OG SER A 101 5.457 11.315 -10.694 1.00 71.14 O ATOM 0 H SER A 101 2.233 11.177 -8.525 1.00 61.20 H new ATOM 0 HA SER A 101 2.854 11.754 -11.315 1.00 74.53 H new ATOM 0 HB2 SER A 101 4.320 12.440 -9.416 1.00 73.44 H new ATOM 0 HB3 SER A 101 4.515 10.758 -8.963 1.00 73.44 H new ATOM 0 HG SER A 101 6.283 11.541 -10.217 1.00 71.14 H new ATOM 1698 N GLU A 102 2.462 8.687 -10.247 1.00 22.42 N ATOM 1699 CA GLU A 102 2.375 7.285 -10.679 1.00 52.32 C ATOM 1700 C GLU A 102 0.938 6.758 -10.734 1.00 30.41 C ATOM 1701 O GLU A 102 0.725 5.656 -11.239 1.00 74.30 O ATOM 1702 CB GLU A 102 3.229 6.437 -9.720 1.00 65.34 C ATOM 1703 CG GLU A 102 2.598 6.226 -8.333 1.00 62.24 C ATOM 1704 CD GLU A 102 1.526 5.122 -8.320 1.00 52.34 C ATOM 1705 OE1 GLU A 102 1.811 3.937 -8.613 1.00 61.53 O ATOM 1706 OE2 GLU A 102 0.372 5.464 -8.000 1.00 24.31 O ATOM 0 H GLU A 102 2.112 8.844 -9.302 1.00 22.42 H new ATOM 0 HA GLU A 102 2.751 7.217 -11.700 1.00 52.32 H new ATOM 0 HB2 GLU A 102 3.410 5.464 -10.176 1.00 65.34 H new ATOM 0 HB3 GLU A 102 4.200 6.916 -9.596 1.00 65.34 H new ATOM 0 HG2 GLU A 102 3.381 5.972 -7.619 1.00 62.24 H new ATOM 0 HG3 GLU A 102 2.151 7.162 -7.997 1.00 62.24 H new ATOM 1713 N LYS A 103 -0.039 7.561 -10.303 1.00 54.02 N ATOM 1714 CA LYS A 103 -1.450 7.162 -10.219 1.00 25.31 C ATOM 1715 C LYS A 103 -2.001 6.390 -11.405 1.00 10.12 C ATOM 1716 O LYS A 103 -1.816 6.795 -12.557 1.00 3.13 O ATOM 1717 CB LYS A 103 -2.400 8.321 -9.857 1.00 1.10 C ATOM 1718 CG LYS A 103 -2.388 9.469 -10.877 1.00 62.53 C ATOM 1719 CD LYS A 103 -3.441 10.542 -10.569 1.00 44.03 C ATOM 1720 CE LYS A 103 -3.574 11.493 -11.760 1.00 54.45 C ATOM 1721 NZ LYS A 103 -2.443 12.432 -11.935 1.00 10.33 N ATOM 0 H LYS A 103 0.128 8.520 -9.998 1.00 54.02 H new ATOM 0 HA LYS A 103 -1.425 6.454 -9.390 1.00 25.31 H new ATOM 0 HB2 LYS A 103 -3.415 7.934 -9.771 1.00 1.10 H new ATOM 0 HB3 LYS A 103 -2.124 8.713 -8.878 1.00 1.10 H new ATOM 0 HG2 LYS A 103 -1.400 9.928 -10.890 1.00 62.53 H new ATOM 0 HG3 LYS A 103 -2.566 9.066 -11.874 1.00 62.53 H new ATOM 0 HD2 LYS A 103 -4.402 10.072 -10.358 1.00 44.03 H new ATOM 0 HD3 LYS A 103 -3.156 11.099 -9.677 1.00 44.03 H new ATOM 0 HE2 LYS A 103 -3.680 10.901 -12.669 1.00 54.45 H new ATOM 0 HE3 LYS A 103 -4.492 12.069 -11.646 1.00 54.45 H new ATOM 0 HZ1 LYS A 103 -2.300 12.618 -12.948 1.00 10.33 H new ATOM 0 HZ2 LYS A 103 -2.654 13.325 -11.445 1.00 10.33 H new ATOM 0 HZ3 LYS A 103 -1.579 12.014 -11.535 1.00 10.33 H new ATOM 1735 N ASP A 104 -2.691 5.295 -11.105 1.00 10.43 N ATOM 1736 CA ASP A 104 -3.344 4.458 -12.099 1.00 1.11 C ATOM 1737 C ASP A 104 -4.628 5.159 -12.511 1.00 33.52 C ATOM 1738 O ASP A 104 -5.099 6.048 -11.794 1.00 21.42 O ATOM 1739 CB ASP A 104 -3.802 3.151 -11.445 1.00 51.24 C ATOM 1740 CG ASP A 104 -4.168 2.098 -12.480 1.00 1.22 C ATOM 1741 OD1 ASP A 104 -3.233 1.506 -13.067 1.00 13.04 O ATOM 1742 OD2 ASP A 104 -5.364 1.899 -12.770 1.00 64.23 O ATOM 0 H ASP A 104 -2.813 4.961 -10.149 1.00 10.43 H new ATOM 0 HA ASP A 104 -2.659 4.277 -12.927 1.00 1.11 H new ATOM 0 HB2 ASP A 104 -3.009 2.769 -10.803 1.00 51.24 H new ATOM 0 HB3 ASP A 104 -4.663 3.347 -10.806 1.00 51.24 H new ATOM 1747 N GLU A 105 -5.246 4.736 -13.606 1.00 73.35 N ATOM 1748 CA GLU A 105 -6.513 5.287 -14.066 1.00 51.35 C ATOM 1749 C GLU A 105 -7.576 4.992 -12.988 1.00 51.42 C ATOM 1750 O GLU A 105 -8.520 5.762 -12.801 1.00 72.42 O ATOM 1751 CB GLU A 105 -6.836 4.619 -15.407 1.00 3.24 C ATOM 1752 CG GLU A 105 -8.211 4.994 -15.958 1.00 5.03 C ATOM 1753 CD GLU A 105 -8.419 4.368 -17.334 1.00 70.55 C ATOM 1754 OE1 GLU A 105 -8.075 5.004 -18.358 1.00 45.32 O ATOM 1755 OE2 GLU A 105 -8.945 3.226 -17.401 1.00 23.13 O ATOM 0 H GLU A 105 -4.879 3.996 -14.204 1.00 73.35 H new ATOM 0 HA GLU A 105 -6.481 6.366 -14.216 1.00 51.35 H new ATOM 0 HB2 GLU A 105 -6.074 4.896 -16.135 1.00 3.24 H new ATOM 0 HB3 GLU A 105 -6.784 3.537 -15.287 1.00 3.24 H new ATOM 0 HG2 GLU A 105 -8.989 4.654 -15.275 1.00 5.03 H new ATOM 0 HG3 GLU A 105 -8.299 6.078 -16.027 1.00 5.03 H new ATOM 1762 N ASP A 106 -7.390 3.902 -12.234 1.00 12.42 N ATOM 1763 CA ASP A 106 -8.274 3.458 -11.153 1.00 44.33 C ATOM 1764 C ASP A 106 -8.172 4.420 -9.962 1.00 4.11 C ATOM 1765 O ASP A 106 -9.102 4.589 -9.178 1.00 50.41 O ATOM 1766 CB ASP A 106 -7.784 2.064 -10.779 1.00 32.13 C ATOM 1767 CG ASP A 106 -8.687 1.246 -9.867 1.00 61.45 C ATOM 1768 OD1 ASP A 106 -8.645 1.431 -8.639 1.00 12.34 O ATOM 1769 OD2 ASP A 106 -9.240 0.258 -10.404 1.00 23.12 O ATOM 0 H ASP A 106 -6.590 3.283 -12.366 1.00 12.42 H new ATOM 0 HA ASP A 106 -9.322 3.442 -11.453 1.00 44.33 H new ATOM 0 HB2 ASP A 106 -7.627 1.500 -11.698 1.00 32.13 H new ATOM 0 HB3 ASP A 106 -6.812 2.163 -10.296 1.00 32.13 H new ATOM 1774 N GLY A 107 -7.029 5.107 -9.855 1.00 13.14 N ATOM 1775 CA GLY A 107 -6.729 6.076 -8.818 1.00 5.03 C ATOM 1776 C GLY A 107 -6.078 5.450 -7.592 1.00 13.04 C ATOM 1777 O GLY A 107 -5.920 6.142 -6.587 1.00 63.24 O ATOM 0 H GLY A 107 -6.264 4.992 -10.519 1.00 13.14 H new ATOM 0 HA2 GLY A 107 -6.067 6.841 -9.224 1.00 5.03 H new ATOM 0 HA3 GLY A 107 -7.650 6.577 -8.518 1.00 5.03 H new ATOM 1781 N PHE A 108 -5.734 4.168 -7.642 1.00 1.42 N ATOM 1782 CA PHE A 108 -5.088 3.421 -6.575 1.00 65.43 C ATOM 1783 C PHE A 108 -3.565 3.545 -6.791 1.00 11.12 C ATOM 1784 O PHE A 108 -3.115 3.447 -7.935 1.00 64.51 O ATOM 1785 CB PHE A 108 -5.585 1.969 -6.689 1.00 4.14 C ATOM 1786 CG PHE A 108 -5.997 1.233 -5.437 1.00 13.23 C ATOM 1787 CD1 PHE A 108 -5.345 1.416 -4.201 1.00 63.23 C ATOM 1788 CD2 PHE A 108 -7.029 0.286 -5.553 1.00 64.43 C ATOM 1789 CE1 PHE A 108 -5.745 0.662 -3.083 1.00 3.01 C ATOM 1790 CE2 PHE A 108 -7.414 -0.474 -4.444 1.00 72.53 C ATOM 1791 CZ PHE A 108 -6.779 -0.284 -3.207 1.00 41.11 C ATOM 0 H PHE A 108 -5.907 3.596 -8.469 1.00 1.42 H new ATOM 0 HA PHE A 108 -5.320 3.789 -5.576 1.00 65.43 H new ATOM 0 HB2 PHE A 108 -6.438 1.966 -7.367 1.00 4.14 H new ATOM 0 HB3 PHE A 108 -4.796 1.388 -7.167 1.00 4.14 H new ATOM 0 HD1 PHE A 108 -4.542 2.132 -4.113 1.00 63.23 H new ATOM 0 HD2 PHE A 108 -7.526 0.145 -6.501 1.00 64.43 H new ATOM 0 HE1 PHE A 108 -5.259 0.809 -2.130 1.00 3.01 H new ATOM 0 HE2 PHE A 108 -8.201 -1.208 -4.540 1.00 72.53 H new ATOM 0 HZ PHE A 108 -7.084 -0.865 -2.349 1.00 41.11 H new ATOM 1801 N LEU A 109 -2.782 3.757 -5.725 1.00 1.40 N ATOM 1802 CA LEU A 109 -1.314 3.905 -5.741 1.00 44.44 C ATOM 1803 C LEU A 109 -0.628 2.543 -5.577 1.00 73.15 C ATOM 1804 O LEU A 109 -1.048 1.776 -4.703 1.00 2.01 O ATOM 1805 CB LEU A 109 -0.907 4.951 -4.680 1.00 45.14 C ATOM 1806 CG LEU A 109 0.537 4.965 -4.135 1.00 74.14 C ATOM 1807 CD1 LEU A 109 1.662 5.189 -5.138 1.00 61.21 C ATOM 1808 CD2 LEU A 109 0.651 6.087 -3.096 1.00 64.11 C ATOM 0 H LEU A 109 -3.168 3.834 -4.784 1.00 1.40 H new ATOM 0 HA LEU A 109 -0.973 4.278 -6.707 1.00 44.44 H new ATOM 0 HB2 LEU A 109 -1.106 5.936 -5.101 1.00 45.14 H new ATOM 0 HB3 LEU A 109 -1.576 4.828 -3.828 1.00 45.14 H new ATOM 0 HG LEU A 109 0.680 3.956 -3.748 1.00 74.14 H new ATOM 0 HD11 LEU A 109 2.620 5.175 -4.619 1.00 61.21 H new ATOM 0 HD12 LEU A 109 1.644 4.398 -5.888 1.00 61.21 H new ATOM 0 HD13 LEU A 109 1.528 6.155 -5.626 1.00 61.21 H new ATOM 0 HD21 LEU A 109 1.666 6.113 -2.699 1.00 64.11 H new ATOM 0 HD22 LEU A 109 0.421 7.043 -3.566 1.00 64.11 H new ATOM 0 HD23 LEU A 109 -0.052 5.903 -2.284 1.00 64.11 H new ATOM 1820 N TYR A 110 0.353 2.187 -6.419 1.00 2.15 N ATOM 1821 CA TYR A 110 1.057 0.899 -6.354 1.00 10.32 C ATOM 1822 C TYR A 110 2.471 0.960 -5.780 1.00 1.32 C ATOM 1823 O TYR A 110 3.326 1.732 -6.216 1.00 50.02 O ATOM 1824 CB TYR A 110 1.149 0.272 -7.752 1.00 52.11 C ATOM 1825 CG TYR A 110 0.014 -0.666 -8.084 1.00 70.33 C ATOM 1826 CD1 TYR A 110 -0.243 -1.778 -7.258 1.00 2.22 C ATOM 1827 CD2 TYR A 110 -0.766 -0.446 -9.232 1.00 72.12 C ATOM 1828 CE1 TYR A 110 -1.347 -2.605 -7.510 1.00 3.33 C ATOM 1829 CE2 TYR A 110 -1.855 -1.288 -9.505 1.00 21.44 C ATOM 1830 CZ TYR A 110 -2.191 -2.316 -8.599 1.00 63.41 C ATOM 1831 OH TYR A 110 -3.344 -3.014 -8.754 1.00 71.41 O ATOM 0 H TYR A 110 0.683 2.791 -7.171 1.00 2.15 H new ATOM 0 HA TYR A 110 0.458 0.298 -5.669 1.00 10.32 H new ATOM 0 HB2 TYR A 110 1.176 1.069 -8.495 1.00 52.11 H new ATOM 0 HB3 TYR A 110 2.090 -0.271 -7.833 1.00 52.11 H new ATOM 0 HD1 TYR A 110 0.413 -1.994 -6.428 1.00 2.22 H new ATOM 0 HD2 TYR A 110 -0.528 0.368 -9.901 1.00 72.12 H new ATOM 0 HE1 TYR A 110 -1.548 -3.455 -6.875 1.00 3.33 H new ATOM 0 HE2 TYR A 110 -2.434 -1.149 -10.406 1.00 21.44 H new ATOM 0 HH TYR A 110 -3.815 -2.695 -9.552 1.00 71.41 H new ATOM 1841 N MET A 111 2.769 0.044 -4.854 1.00 54.23 N ATOM 1842 CA MET A 111 4.065 -0.073 -4.210 1.00 64.53 C ATOM 1843 C MET A 111 4.431 -1.545 -4.021 1.00 2.03 C ATOM 1844 O MET A 111 3.563 -2.404 -3.818 1.00 44.21 O ATOM 1845 CB MET A 111 4.050 0.632 -2.853 1.00 3.05 C ATOM 1846 CG MET A 111 3.861 2.146 -2.962 1.00 51.10 C ATOM 1847 SD MET A 111 4.388 3.020 -1.465 1.00 12.42 S ATOM 1848 CE MET A 111 4.652 4.669 -2.173 1.00 24.34 C ATOM 0 H MET A 111 2.095 -0.649 -4.529 1.00 54.23 H new ATOM 0 HA MET A 111 4.811 0.401 -4.848 1.00 64.53 H new ATOM 0 HB2 MET A 111 3.248 0.215 -2.243 1.00 3.05 H new ATOM 0 HB3 MET A 111 4.986 0.426 -2.333 1.00 3.05 H new ATOM 0 HG2 MET A 111 4.427 2.519 -3.815 1.00 51.10 H new ATOM 0 HG3 MET A 111 2.811 2.365 -3.156 1.00 51.10 H new ATOM 0 HE1 MET A 111 4.932 5.364 -1.382 1.00 24.34 H new ATOM 0 HE2 MET A 111 5.449 4.623 -2.915 1.00 24.34 H new ATOM 0 HE3 MET A 111 3.733 5.012 -2.649 1.00 24.34 H new ATOM 1858 N VAL A 112 5.725 -1.846 -4.117 1.00 10.21 N ATOM 1859 CA VAL A 112 6.284 -3.183 -3.947 1.00 12.12 C ATOM 1860 C VAL A 112 7.563 -3.045 -3.118 1.00 63.44 C ATOM 1861 O VAL A 112 8.258 -2.037 -3.263 1.00 4.01 O ATOM 1862 CB VAL A 112 6.527 -3.915 -5.293 1.00 64.20 C ATOM 1863 CG1 VAL A 112 5.733 -5.224 -5.370 1.00 11.23 C ATOM 1864 CG2 VAL A 112 6.164 -3.094 -6.537 1.00 43.42 C ATOM 0 H VAL A 112 6.435 -1.142 -4.322 1.00 10.21 H new ATOM 0 HA VAL A 112 5.565 -3.814 -3.425 1.00 12.12 H new ATOM 0 HB VAL A 112 7.602 -4.096 -5.301 1.00 64.20 H new ATOM 0 HG11 VAL A 112 5.926 -5.711 -6.326 1.00 11.23 H new ATOM 0 HG12 VAL A 112 6.039 -5.884 -4.558 1.00 11.23 H new ATOM 0 HG13 VAL A 112 4.668 -5.009 -5.281 1.00 11.23 H new ATOM 0 HG21 VAL A 112 6.365 -3.682 -7.432 1.00 43.42 H new ATOM 0 HG22 VAL A 112 5.106 -2.833 -6.505 1.00 43.42 H new ATOM 0 HG23 VAL A 112 6.762 -2.183 -6.559 1.00 43.42 H new ATOM 1874 N TYR A 113 7.903 -4.033 -2.286 1.00 72.53 N ATOM 1875 CA TYR A 113 9.116 -3.981 -1.464 1.00 21.54 C ATOM 1876 C TYR A 113 9.925 -5.280 -1.513 1.00 71.43 C ATOM 1877 O TYR A 113 9.339 -6.354 -1.685 1.00 2.41 O ATOM 1878 CB TYR A 113 8.734 -3.609 -0.030 1.00 64.40 C ATOM 1879 CG TYR A 113 8.053 -4.708 0.766 1.00 62.13 C ATOM 1880 CD1 TYR A 113 6.659 -4.873 0.691 1.00 12.41 C ATOM 1881 CD2 TYR A 113 8.816 -5.567 1.582 1.00 20.33 C ATOM 1882 CE1 TYR A 113 6.028 -5.884 1.433 1.00 52.44 C ATOM 1883 CE2 TYR A 113 8.188 -6.569 2.343 1.00 33.24 C ATOM 1884 CZ TYR A 113 6.787 -6.729 2.269 1.00 32.14 C ATOM 1885 OH TYR A 113 6.154 -7.690 2.989 1.00 40.31 O ATOM 0 H TYR A 113 7.352 -4.883 -2.163 1.00 72.53 H new ATOM 0 HA TYR A 113 9.772 -3.215 -1.876 1.00 21.54 H new ATOM 0 HB2 TYR A 113 9.636 -3.304 0.501 1.00 64.40 H new ATOM 0 HB3 TYR A 113 8.073 -2.743 -0.061 1.00 64.40 H new ATOM 0 HD1 TYR A 113 6.072 -4.221 0.061 1.00 12.41 H new ATOM 0 HD2 TYR A 113 9.889 -5.455 1.623 1.00 20.33 H new ATOM 0 HE1 TYR A 113 4.958 -6.015 1.363 1.00 52.44 H new ATOM 0 HE2 TYR A 113 8.775 -7.213 2.981 1.00 33.24 H new ATOM 0 HH TYR A 113 6.812 -8.336 3.322 1.00 40.31 H new ATOM 1895 N ALA A 114 11.256 -5.174 -1.384 1.00 71.30 N ATOM 1896 CA ALA A 114 12.202 -6.296 -1.398 1.00 21.34 C ATOM 1897 C ALA A 114 13.571 -5.884 -0.843 1.00 14.31 C ATOM 1898 O ALA A 114 13.801 -4.700 -0.601 1.00 75.40 O ATOM 1899 CB ALA A 114 12.449 -6.726 -2.843 1.00 65.54 C ATOM 0 H ALA A 114 11.718 -4.273 -1.263 1.00 71.30 H new ATOM 0 HA ALA A 114 11.769 -7.091 -0.791 1.00 21.34 H new ATOM 0 HB1 ALA A 114 13.151 -7.559 -2.860 1.00 65.54 H new ATOM 0 HB2 ALA A 114 11.507 -7.036 -3.296 1.00 65.54 H new ATOM 0 HB3 ALA A 114 12.865 -5.890 -3.405 1.00 65.54 H new ATOM 1905 N SER A 115 14.514 -6.822 -0.729 1.00 44.31 N ATOM 1906 CA SER A 115 15.866 -6.563 -0.257 1.00 71.52 C ATOM 1907 C SER A 115 16.785 -6.641 -1.493 1.00 51.31 C ATOM 1908 O SER A 115 17.573 -7.579 -1.643 1.00 2.42 O ATOM 1909 CB SER A 115 16.183 -7.612 0.835 1.00 1.03 C ATOM 1910 OG SER A 115 17.475 -7.468 1.407 1.00 40.23 O ATOM 0 H SER A 115 14.351 -7.800 -0.968 1.00 44.31 H new ATOM 0 HA SER A 115 16.005 -5.582 0.197 1.00 71.52 H new ATOM 0 HB2 SER A 115 15.435 -7.539 1.625 1.00 1.03 H new ATOM 0 HB3 SER A 115 16.095 -8.610 0.405 1.00 1.03 H new ATOM 0 HG SER A 115 17.610 -8.159 2.089 1.00 40.23 H new ATOM 1916 N GLN A 116 16.781 -5.604 -2.338 1.00 11.34 N ATOM 1917 CA GLN A 116 17.586 -5.459 -3.553 1.00 70.11 C ATOM 1918 C GLN A 116 17.342 -4.049 -4.082 1.00 44.23 C ATOM 1919 O GLN A 116 16.183 -3.641 -4.185 1.00 50.30 O ATOM 1920 CB GLN A 116 17.174 -6.490 -4.623 1.00 73.14 C ATOM 1921 CG GLN A 116 18.376 -7.031 -5.396 1.00 62.52 C ATOM 1922 CD GLN A 116 17.950 -8.229 -6.237 1.00 2.01 C ATOM 1923 OE1 GLN A 116 17.483 -9.240 -5.712 1.00 31.15 O ATOM 1924 NE2 GLN A 116 18.046 -8.122 -7.542 1.00 23.35 N ATOM 0 H GLN A 116 16.179 -4.796 -2.181 1.00 11.34 H new ATOM 0 HA GLN A 116 18.639 -5.628 -3.325 1.00 70.11 H new ATOM 0 HB2 GLN A 116 16.649 -7.317 -4.145 1.00 73.14 H new ATOM 0 HB3 GLN A 116 16.474 -6.028 -5.319 1.00 73.14 H new ATOM 0 HG2 GLN A 116 18.788 -6.252 -6.038 1.00 62.52 H new ATOM 0 HG3 GLN A 116 19.165 -7.323 -4.703 1.00 62.52 H new ATOM 0 HE21 GLN A 116 18.436 -7.276 -7.957 1.00 23.35 H new ATOM 0 HE22 GLN A 116 17.731 -8.885 -8.141 1.00 23.35 H new ATOM 1933 N GLU A 117 18.402 -3.318 -4.422 1.00 65.52 N ATOM 1934 CA GLU A 117 18.268 -1.964 -4.933 1.00 10.15 C ATOM 1935 C GLU A 117 17.813 -1.991 -6.396 1.00 42.44 C ATOM 1936 O GLU A 117 17.044 -1.116 -6.808 1.00 45.14 O ATOM 1937 CB GLU A 117 19.583 -1.179 -4.762 1.00 5.31 C ATOM 1938 CG GLU A 117 19.326 0.309 -5.026 1.00 42.43 C ATOM 1939 CD GLU A 117 20.509 1.245 -4.775 1.00 53.10 C ATOM 1940 OE1 GLU A 117 21.083 1.248 -3.664 1.00 22.55 O ATOM 1941 OE2 GLU A 117 20.781 2.074 -5.682 1.00 64.13 O ATOM 0 H GLU A 117 19.365 -3.647 -4.351 1.00 65.52 H new ATOM 0 HA GLU A 117 17.504 -1.446 -4.353 1.00 10.15 H new ATOM 0 HB2 GLU A 117 19.974 -1.319 -3.754 1.00 5.31 H new ATOM 0 HB3 GLU A 117 20.337 -1.557 -5.452 1.00 5.31 H new ATOM 0 HG2 GLU A 117 19.009 0.425 -6.062 1.00 42.43 H new ATOM 0 HG3 GLU A 117 18.494 0.631 -4.400 1.00 42.43 H new ATOM 1948 N THR A 118 18.228 -3.002 -7.166 1.00 14.22 N ATOM 1949 CA THR A 118 17.902 -3.178 -8.575 1.00 30.25 C ATOM 1950 C THR A 118 17.572 -4.655 -8.822 1.00 21.24 C ATOM 1951 O THR A 118 18.427 -5.512 -8.597 1.00 63.12 O ATOM 1952 CB THR A 118 19.070 -2.657 -9.437 1.00 10.34 C ATOM 1953 OG1 THR A 118 20.317 -3.149 -8.990 1.00 74.41 O ATOM 1954 CG2 THR A 118 19.179 -1.129 -9.413 1.00 54.40 C ATOM 0 H THR A 118 18.824 -3.747 -6.805 1.00 14.22 H new ATOM 0 HA THR A 118 17.023 -2.599 -8.859 1.00 30.25 H new ATOM 0 HB THR A 118 18.848 -3.009 -10.444 1.00 10.34 H new ATOM 0 HG1 THR A 118 20.215 -4.077 -8.691 1.00 74.41 H new ATOM 0 HG21 THR A 118 20.017 -0.814 -10.035 1.00 54.40 H new ATOM 0 HG22 THR A 118 18.257 -0.692 -9.797 1.00 54.40 H new ATOM 0 HG23 THR A 118 19.341 -0.792 -8.389 1.00 54.40 H new ATOM 1962 N PHE A 119 16.330 -4.956 -9.222 1.00 42.23 N ATOM 1963 CA PHE A 119 15.839 -6.308 -9.489 1.00 45.22 C ATOM 1964 C PHE A 119 16.539 -6.959 -10.669 1.00 23.32 C ATOM 1965 O PHE A 119 16.276 -6.545 -11.818 1.00 44.24 O ATOM 1966 CB PHE A 119 14.323 -6.282 -9.722 1.00 13.35 C ATOM 1967 CG PHE A 119 13.529 -5.954 -8.479 1.00 71.54 C ATOM 1968 CD1 PHE A 119 13.613 -6.805 -7.365 1.00 41.44 C ATOM 1969 CD2 PHE A 119 12.716 -4.809 -8.423 1.00 14.04 C ATOM 1970 CE1 PHE A 119 12.881 -6.518 -6.207 1.00 12.03 C ATOM 1971 CE2 PHE A 119 11.975 -4.527 -7.263 1.00 4.25 C ATOM 1972 CZ PHE A 119 12.051 -5.385 -6.153 1.00 23.42 C ATOM 0 H PHE A 119 15.619 -4.240 -9.373 1.00 42.23 H new ATOM 0 HA PHE A 119 16.065 -6.912 -8.610 1.00 45.22 H new ATOM 0 HB2 PHE A 119 14.094 -5.547 -10.494 1.00 13.35 H new ATOM 0 HB3 PHE A 119 14.005 -7.253 -10.101 1.00 13.35 H new ATOM 0 HD1 PHE A 119 14.243 -7.682 -7.402 1.00 41.44 H new ATOM 0 HD2 PHE A 119 12.661 -4.145 -9.273 1.00 14.04 H new ATOM 0 HE1 PHE A 119 12.954 -7.171 -5.350 1.00 12.03 H new ATOM 0 HE2 PHE A 119 11.346 -3.650 -7.225 1.00 4.25 H new ATOM 0 HZ PHE A 119 11.475 -5.175 -5.264 1.00 23.42 H new ATOM 2101 N PHE B 178 -8.294 -1.665 4.827 1.00 71.45 N ATOM 2102 CA PHE B 178 -7.065 -0.895 4.816 1.00 61.53 C ATOM 2103 C PHE B 178 -6.423 -0.748 6.186 1.00 15.22 C ATOM 2104 O PHE B 178 -7.080 -0.926 7.212 1.00 23.33 O ATOM 2105 CB PHE B 178 -7.367 0.510 4.275 1.00 44.22 C ATOM 2106 CG PHE B 178 -7.781 0.556 2.821 1.00 60.43 C ATOM 2107 CD1 PHE B 178 -9.078 0.170 2.444 1.00 71.55 C ATOM 2108 CD2 PHE B 178 -6.878 1.012 1.842 1.00 54.11 C ATOM 2109 CE1 PHE B 178 -9.458 0.227 1.098 1.00 51.02 C ATOM 2110 CE2 PHE B 178 -7.273 1.122 0.500 1.00 33.52 C ATOM 2111 CZ PHE B 178 -8.566 0.726 0.136 1.00 13.40 C ATOM 0 HA PHE B 178 -6.361 -1.439 4.186 1.00 61.53 H new ATOM 0 HB2 PHE B 178 -8.160 0.953 4.878 1.00 44.22 H new ATOM 0 HB3 PHE B 178 -6.482 1.132 4.406 1.00 44.22 H new ATOM 0 HD1 PHE B 178 -9.780 -0.170 3.191 1.00 71.55 H new ATOM 0 HD2 PHE B 178 -5.871 1.280 2.127 1.00 54.11 H new ATOM 0 HE1 PHE B 178 -10.439 -0.113 0.799 1.00 51.02 H new ATOM 0 HE2 PHE B 178 -6.589 1.507 -0.242 1.00 33.52 H new ATOM 0 HZ PHE B 178 -8.880 0.805 -0.894 1.00 13.40 H new ATOM 2121 N VAL B 179 -5.149 -0.354 6.188 1.00 34.30 N ATOM 2122 CA VAL B 179 -4.378 -0.084 7.397 1.00 15.01 C ATOM 2123 C VAL B 179 -3.738 1.290 7.207 1.00 63.12 C ATOM 2124 O VAL B 179 -2.798 1.475 6.427 1.00 3.23 O ATOM 2125 CB VAL B 179 -3.462 -1.246 7.797 1.00 60.14 C ATOM 2126 CG1 VAL B 179 -2.454 -1.686 6.745 1.00 33.21 C ATOM 2127 CG2 VAL B 179 -2.738 -0.953 9.115 1.00 54.31 C ATOM 0 H VAL B 179 -4.615 -0.211 5.330 1.00 34.30 H new ATOM 0 HA VAL B 179 -5.006 -0.028 8.286 1.00 15.01 H new ATOM 0 HB VAL B 179 -4.146 -2.087 7.914 1.00 60.14 H new ATOM 0 HG11 VAL B 179 -1.860 -2.513 7.134 1.00 33.21 H new ATOM 0 HG12 VAL B 179 -2.982 -2.009 5.848 1.00 33.21 H new ATOM 0 HG13 VAL B 179 -1.797 -0.852 6.499 1.00 33.21 H new ATOM 0 HG21 VAL B 179 -2.096 -1.795 9.372 1.00 54.31 H new ATOM 0 HG22 VAL B 179 -2.131 -0.054 9.005 1.00 54.31 H new ATOM 0 HG23 VAL B 179 -3.471 -0.801 9.907 1.00 54.31 H new ATOM 2137 N GLU B 180 -4.288 2.299 7.878 1.00 73.23 N ATOM 2138 CA GLU B 180 -3.797 3.668 7.783 1.00 75.43 C ATOM 2139 C GLU B 180 -2.445 3.880 8.476 1.00 44.34 C ATOM 2140 O GLU B 180 -2.117 3.202 9.459 1.00 71.52 O ATOM 2141 CB GLU B 180 -4.901 4.630 8.238 1.00 0.20 C ATOM 2142 CG GLU B 180 -5.199 4.557 9.741 1.00 52.03 C ATOM 2143 CD GLU B 180 -4.675 5.770 10.495 1.00 73.22 C ATOM 2144 OE1 GLU B 180 -3.519 6.186 10.274 1.00 1.00 O ATOM 2145 OE2 GLU B 180 -5.442 6.317 11.320 1.00 24.20 O ATOM 0 H GLU B 180 -5.087 2.189 8.503 1.00 73.23 H new ATOM 0 HA GLU B 180 -3.572 3.891 6.740 1.00 75.43 H new ATOM 0 HB2 GLU B 180 -4.611 5.649 7.983 1.00 0.20 H new ATOM 0 HB3 GLU B 180 -5.814 4.410 7.684 1.00 0.20 H new ATOM 0 HG2 GLU B 180 -6.275 4.476 9.892 1.00 52.03 H new ATOM 0 HG3 GLU B 180 -4.750 3.654 10.154 1.00 52.03 H new ATOM 2152 N ILE B 181 -1.648 4.814 7.948 1.00 20.41 N ATOM 2153 CA ILE B 181 -0.336 5.175 8.447 1.00 3.35 C ATOM 2154 C ILE B 181 -0.445 6.320 9.448 1.00 55.40 C ATOM 2155 O ILE B 181 -0.919 7.415 9.127 1.00 24.15 O ATOM 2156 CB ILE B 181 0.617 5.519 7.278 1.00 53.32 C ATOM 2157 CG1 ILE B 181 0.992 4.203 6.570 1.00 41.11 C ATOM 2158 CG2 ILE B 181 1.857 6.309 7.722 1.00 52.20 C ATOM 2159 CD1 ILE B 181 2.131 4.316 5.575 1.00 15.42 C ATOM 0 H ILE B 181 -1.919 5.356 7.128 1.00 20.41 H new ATOM 0 HA ILE B 181 0.090 4.319 8.971 1.00 3.35 H new ATOM 0 HB ILE B 181 0.102 6.185 6.585 1.00 53.32 H new ATOM 0 HG12 ILE B 181 1.261 3.465 7.325 1.00 41.11 H new ATOM 0 HG13 ILE B 181 0.112 3.823 6.051 1.00 41.11 H new ATOM 0 HG21 ILE B 181 2.484 6.519 6.856 1.00 52.20 H new ATOM 0 HG22 ILE B 181 1.546 7.248 8.180 1.00 52.20 H new ATOM 0 HG23 ILE B 181 2.422 5.722 8.446 1.00 52.20 H new ATOM 0 HD11 ILE B 181 2.322 3.340 5.128 1.00 15.42 H new ATOM 0 HD12 ILE B 181 1.862 5.026 4.793 1.00 15.42 H new ATOM 0 HD13 ILE B 181 3.029 4.663 6.087 1.00 15.42 H new ATOM 2171 N ARG B 182 0.005 6.013 10.662 1.00 53.40 N ATOM 2172 CA ARG B 182 0.073 6.906 11.807 1.00 24.23 C ATOM 2173 C ARG B 182 1.323 7.783 11.623 1.00 43.12 C ATOM 2174 O ARG B 182 1.975 7.710 10.581 1.00 55.02 O ATOM 2175 CB ARG B 182 0.151 6.052 13.080 1.00 71.44 C ATOM 2176 CG ARG B 182 -1.174 5.369 13.459 1.00 53.15 C ATOM 2177 CD ARG B 182 -1.635 4.196 12.581 1.00 20.10 C ATOM 2178 NE ARG B 182 -2.521 3.313 13.357 1.00 42.45 N ATOM 2179 CZ ARG B 182 -3.041 2.142 12.973 1.00 62.45 C ATOM 2180 NH1 ARG B 182 -2.952 1.717 11.715 1.00 35.50 N ATOM 2181 NH2 ARG B 182 -3.653 1.376 13.866 1.00 23.11 N ATOM 0 H ARG B 182 0.351 5.079 10.882 1.00 53.40 H new ATOM 0 HA ARG B 182 -0.803 7.550 11.891 1.00 24.23 H new ATOM 0 HB2 ARG B 182 0.916 5.287 12.946 1.00 71.44 H new ATOM 0 HB3 ARG B 182 0.473 6.683 13.909 1.00 71.44 H new ATOM 0 HG2 ARG B 182 -1.088 5.010 14.485 1.00 53.15 H new ATOM 0 HG3 ARG B 182 -1.959 6.126 13.451 1.00 53.15 H new ATOM 0 HD2 ARG B 182 -2.159 4.571 11.702 1.00 20.10 H new ATOM 0 HD3 ARG B 182 -0.771 3.636 12.222 1.00 20.10 H new ATOM 0 HE ARG B 182 -2.766 3.630 14.295 1.00 42.45 H new ATOM 0 HH11 ARG B 182 -2.478 2.289 11.016 1.00 35.50 H new ATOM 0 HH12 ARG B 182 -3.358 0.820 11.450 1.00 35.50 H new ATOM 0 HH21 ARG B 182 -3.724 1.681 14.837 1.00 23.11 H new ATOM 0 HH22 ARG B 182 -4.053 0.481 13.582 1.00 23.11 H new