USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 77 ASN :FLIP amide:sc= -0.449 F(o=-1.8,f=0.15) USER MOD Set 1.2: A 80 SER OG : rot 161:sc= 0.597 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.379 USER MOD Single : A 11 HIS : no HD1:sc= -0.395 X(o=-0.4,f=-0.13) USER MOD Single : A 13 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= -0.141 (180deg=-1.53) USER MOD Single : A 18 SER OG : rot 5:sc= 0.869! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -63:sc= 1.13 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 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 43 SER OG : rot 58:sc= 0.111 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 67 SER OG : rot 58:sc= 0.843 USER MOD Single : A 68 SER OG : rot 80:sc= 1.33 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.731 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -6.58! C(o=-6.6!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 -6.569 1.195 -8.455 1.00 3.22 N ATOM 53 CA GLU A 5 -8.004 1.150 -8.202 1.00 51.41 C ATOM 54 C GLU A 5 -8.791 1.400 -9.486 1.00 4.33 C ATOM 55 O GLU A 5 -8.958 2.543 -9.912 1.00 44.02 O ATOM 56 CB GLU A 5 -8.391 2.186 -7.144 1.00 43.02 C ATOM 57 CG GLU A 5 -7.474 2.190 -5.933 1.00 4.32 C ATOM 58 CD GLU A 5 -7.880 3.220 -4.897 1.00 11.31 C ATOM 59 OE1 GLU A 5 -9.023 3.144 -4.400 1.00 71.11 O ATOM 60 OE2 GLU A 5 -7.054 4.103 -4.583 1.00 12.00 O ATOM 0 HA GLU A 5 -8.251 0.155 -7.833 1.00 51.41 H new ATOM 0 HB2 GLU A 5 -8.384 3.177 -7.598 1.00 43.02 H new ATOM 0 HB3 GLU A 5 -9.412 1.993 -6.815 1.00 43.02 H new ATOM 0 HG2 GLU A 5 -7.477 1.200 -5.476 1.00 4.32 H new ATOM 0 HG3 GLU A 5 -6.452 2.389 -6.256 1.00 4.32 H new ATOM 67 N VAL A 6 -9.271 0.323 -10.098 1.00 33.44 N ATOM 68 CA VAL A 6 -10.041 0.424 -11.332 1.00 24.40 C ATOM 69 C VAL A 6 -11.491 0.009 -11.111 1.00 50.31 C ATOM 70 O VAL A 6 -11.810 -1.180 -11.081 1.00 43.22 O ATOM 71 CB VAL A 6 -9.433 -0.450 -12.445 1.00 45.14 C ATOM 72 CG1 VAL A 6 -10.400 -0.579 -13.612 1.00 14.23 C ATOM 73 CG2 VAL A 6 -8.102 0.126 -12.907 1.00 32.21 C ATOM 0 H VAL A 6 -9.140 -0.630 -9.759 1.00 33.44 H new ATOM 0 HA VAL A 6 -10.008 1.469 -11.641 1.00 24.40 H new ATOM 0 HB VAL A 6 -9.252 -1.447 -12.042 1.00 45.14 H new ATOM 0 HG11 VAL A 6 -9.953 -1.200 -14.388 1.00 14.23 H new ATOM 0 HG12 VAL A 6 -11.326 -1.039 -13.268 1.00 14.23 H new ATOM 0 HG13 VAL A 6 -10.615 0.410 -14.017 1.00 14.23 H new ATOM 0 HG21 VAL A 6 -7.686 -0.504 -13.694 1.00 32.21 H new ATOM 0 HG22 VAL A 6 -8.256 1.134 -13.293 1.00 32.21 H new ATOM 0 HG23 VAL A 6 -7.409 0.161 -12.066 1.00 32.21 H new ATOM 83 N ILE A 7 -12.366 0.997 -10.957 1.00 41.43 N ATOM 84 CA ILE A 7 -13.783 0.735 -10.741 1.00 13.22 C ATOM 85 C ILE A 7 -14.609 1.135 -11.959 1.00 43.01 C ATOM 86 O ILE A 7 -14.846 2.319 -12.201 1.00 21.34 O ATOM 87 CB ILE A 7 -14.313 1.488 -9.506 1.00 40.43 C ATOM 88 CG1 ILE A 7 -15.835 1.357 -9.415 1.00 63.25 C ATOM 89 CG2 ILE A 7 -13.905 2.953 -9.564 1.00 71.01 C ATOM 90 CD1 ILE A 7 -16.375 1.549 -8.016 1.00 14.40 C ATOM 0 H ILE A 7 -12.118 1.986 -10.978 1.00 41.43 H new ATOM 0 HA ILE A 7 -13.883 -0.337 -10.574 1.00 13.22 H new ATOM 0 HB ILE A 7 -13.875 1.043 -8.612 1.00 40.43 H new ATOM 0 HG12 ILE A 7 -16.295 2.091 -10.077 1.00 63.25 H new ATOM 0 HG13 ILE A 7 -16.129 0.372 -9.777 1.00 63.25 H new ATOM 0 HG21 ILE A 7 -14.287 3.472 -8.685 1.00 71.01 H new ATOM 0 HG22 ILE A 7 -12.818 3.027 -9.586 1.00 71.01 H new ATOM 0 HG23 ILE A 7 -14.318 3.410 -10.463 1.00 71.01 H new ATOM 0 HD11 ILE A 7 -17.460 1.442 -8.027 1.00 14.40 H new ATOM 0 HD12 ILE A 7 -15.943 0.799 -7.353 1.00 14.40 H new ATOM 0 HD13 ILE A 7 -16.112 2.544 -7.658 1.00 14.40 H new ATOM 102 N VAL A 8 -15.046 0.139 -12.724 1.00 3.33 N ATOM 103 CA VAL A 8 -15.848 0.386 -13.916 1.00 42.30 C ATOM 104 C VAL A 8 -17.138 -0.425 -13.888 1.00 61.43 C ATOM 105 O VAL A 8 -17.244 -1.417 -13.167 1.00 32.42 O ATOM 106 CB VAL A 8 -15.067 0.044 -15.199 1.00 5.53 C ATOM 107 CG1 VAL A 8 -13.725 0.761 -15.214 1.00 22.22 C ATOM 108 CG2 VAL A 8 -14.878 -1.460 -15.322 1.00 54.04 C ATOM 0 H VAL A 8 -14.858 -0.846 -12.539 1.00 3.33 H new ATOM 0 HA VAL A 8 -16.090 1.449 -13.920 1.00 42.30 H new ATOM 0 HB VAL A 8 -15.645 0.386 -16.058 1.00 5.53 H new ATOM 0 HG11 VAL A 8 -13.187 0.508 -16.128 1.00 22.22 H new ATOM 0 HG12 VAL A 8 -13.888 1.838 -15.176 1.00 22.22 H new ATOM 0 HG13 VAL A 8 -13.138 0.452 -14.350 1.00 22.22 H new ATOM 0 HG21 VAL A 8 -14.324 -1.684 -16.234 1.00 54.04 H new ATOM 0 HG22 VAL A 8 -14.322 -1.828 -14.460 1.00 54.04 H new ATOM 0 HG23 VAL A 8 -15.852 -1.947 -15.360 1.00 54.04 H new ATOM 118 N TYR A 9 -18.116 0.002 -14.679 1.00 12.03 N ATOM 119 CA TYR A 9 -19.401 -0.684 -14.744 1.00 11.02 C ATOM 120 C TYR A 9 -19.658 -1.228 -16.146 1.00 10.31 C ATOM 121 O TYR A 9 -19.332 -0.583 -17.142 1.00 63.51 O ATOM 122 CB TYR A 9 -20.530 0.264 -14.338 1.00 14.43 C ATOM 123 CG TYR A 9 -20.628 0.486 -12.845 1.00 70.31 C ATOM 124 CD1 TYR A 9 -19.561 1.016 -12.131 1.00 24.45 C ATOM 125 CD2 TYR A 9 -21.787 0.164 -12.149 1.00 43.13 C ATOM 126 CE1 TYR A 9 -19.645 1.219 -10.767 1.00 23.04 C ATOM 127 CE2 TYR A 9 -21.880 0.365 -10.786 1.00 14.41 C ATOM 128 CZ TYR A 9 -20.807 0.893 -10.099 1.00 62.20 C ATOM 129 OH TYR A 9 -20.896 1.094 -8.741 1.00 24.54 O ATOM 0 H TYR A 9 -18.043 0.820 -15.284 1.00 12.03 H new ATOM 0 HA TYR A 9 -19.372 -1.523 -14.048 1.00 11.02 H new ATOM 0 HB2 TYR A 9 -20.381 1.225 -14.831 1.00 14.43 H new ATOM 0 HB3 TYR A 9 -21.477 -0.136 -14.700 1.00 14.43 H new ATOM 0 HD1 TYR A 9 -18.650 1.274 -12.651 1.00 24.45 H new ATOM 0 HD2 TYR A 9 -22.629 -0.250 -12.683 1.00 43.13 H new ATOM 0 HE1 TYR A 9 -18.805 1.631 -10.227 1.00 23.04 H new ATOM 0 HE2 TYR A 9 -22.788 0.110 -10.261 1.00 14.41 H new ATOM 0 HH TYR A 9 -21.781 0.813 -8.426 1.00 24.54 H new ATOM 139 N GLU A 10 -20.246 -2.418 -16.213 1.00 60.24 N ATOM 140 CA GLU A 10 -20.547 -3.049 -17.493 1.00 21.30 C ATOM 141 C GLU A 10 -21.984 -2.759 -17.918 1.00 65.41 C ATOM 142 O GLU A 10 -22.607 -3.555 -18.621 1.00 52.15 O ATOM 143 CB GLU A 10 -20.324 -4.561 -17.406 1.00 52.43 C ATOM 144 CG GLU A 10 -18.871 -4.972 -17.573 1.00 30.32 C ATOM 145 CD GLU A 10 -17.979 -4.420 -16.478 1.00 32.44 C ATOM 146 OE1 GLU A 10 -17.997 -4.977 -15.360 1.00 61.43 O ATOM 147 OE2 GLU A 10 -17.263 -3.431 -16.739 1.00 12.02 O ATOM 0 H GLU A 10 -20.523 -2.964 -15.397 1.00 60.24 H new ATOM 0 HA GLU A 10 -19.874 -2.632 -18.242 1.00 21.30 H new ATOM 0 HB2 GLU A 10 -20.685 -4.918 -16.442 1.00 52.43 H new ATOM 0 HB3 GLU A 10 -20.922 -5.053 -18.173 1.00 52.43 H new ATOM 0 HG2 GLU A 10 -18.803 -6.060 -17.578 1.00 30.32 H new ATOM 0 HG3 GLU A 10 -18.508 -4.626 -18.541 1.00 30.32 H new ATOM 154 N HIS A 11 -22.503 -1.615 -17.485 1.00 40.14 N ATOM 155 CA HIS A 11 -23.866 -1.219 -17.821 1.00 12.13 C ATOM 156 C HIS A 11 -24.139 0.217 -17.381 1.00 64.45 C ATOM 157 O HIS A 11 -23.222 0.944 -16.999 1.00 51.21 O ATOM 158 CB HIS A 11 -24.871 -2.165 -17.163 1.00 20.31 C ATOM 159 CG HIS A 11 -26.007 -2.550 -18.060 1.00 20.32 C ATOM 160 ND1 HIS A 11 -25.838 -3.283 -19.216 1.00 33.14 N ATOM 161 CD2 HIS A 11 -27.334 -2.301 -17.964 1.00 70.33 C ATOM 162 CE1 HIS A 11 -27.012 -3.467 -19.793 1.00 52.21 C ATOM 163 NE2 HIS A 11 -27.937 -2.881 -19.053 1.00 64.34 N ATOM 0 H HIS A 11 -22.001 -0.946 -16.901 1.00 40.14 H new ATOM 0 HA HIS A 11 -23.978 -1.277 -18.904 1.00 12.13 H new ATOM 0 HB2 HIS A 11 -24.351 -3.067 -16.841 1.00 20.31 H new ATOM 0 HB3 HIS A 11 -25.271 -1.691 -16.267 1.00 20.31 H new ATOM 0 HD2 HIS A 11 -27.827 -1.749 -17.177 1.00 70.33 H new ATOM 0 HE1 HIS A 11 -27.186 -4.005 -20.713 1.00 52.21 H new ATOM 0 HE2 HIS A 11 -28.936 -2.863 -19.257 1.00 64.34 H new ATOM 171 N VAL A 12 -25.404 0.618 -17.440 1.00 15.14 N ATOM 172 CA VAL A 12 -25.798 1.966 -17.048 1.00 3.24 C ATOM 173 C VAL A 12 -25.499 2.219 -15.574 1.00 43.43 C ATOM 174 O VAL A 12 -25.579 1.311 -14.749 1.00 72.52 O ATOM 175 CB VAL A 12 -27.296 2.211 -17.305 1.00 53.15 C ATOM 176 CG1 VAL A 12 -28.143 1.229 -16.510 1.00 64.11 C ATOM 177 CG2 VAL A 12 -27.668 3.646 -16.964 1.00 3.22 C ATOM 0 H VAL A 12 -26.174 0.029 -17.756 1.00 15.14 H new ATOM 0 HA VAL A 12 -25.215 2.656 -17.658 1.00 3.24 H new ATOM 0 HB VAL A 12 -27.495 2.050 -18.365 1.00 53.15 H new ATOM 0 HG11 VAL A 12 -29.199 1.418 -16.705 1.00 64.11 H new ATOM 0 HG12 VAL A 12 -27.896 0.210 -16.809 1.00 64.11 H new ATOM 0 HG13 VAL A 12 -27.942 1.354 -15.446 1.00 64.11 H new ATOM 0 HG21 VAL A 12 -28.730 3.801 -17.152 1.00 3.22 H new ATOM 0 HG22 VAL A 12 -27.454 3.837 -15.913 1.00 3.22 H new ATOM 0 HG23 VAL A 12 -27.087 4.329 -17.583 1.00 3.22 H new ATOM 187 N ASN A 13 -25.154 3.462 -15.251 1.00 64.41 N ATOM 188 CA ASN A 13 -24.842 3.835 -13.876 1.00 53.12 C ATOM 189 C ASN A 13 -25.955 3.398 -12.928 1.00 52.24 C ATOM 190 O ASN A 13 -25.704 2.736 -11.922 1.00 25.43 O ATOM 191 CB ASN A 13 -24.632 5.347 -13.772 1.00 13.14 C ATOM 192 CG ASN A 13 -23.815 5.734 -12.554 1.00 42.44 C ATOM 193 OD1 ASN A 13 -23.254 4.877 -11.871 1.00 51.51 O ATOM 194 ND2 ASN A 13 -23.744 7.031 -12.278 1.00 10.33 N ATOM 0 H ASN A 13 -25.084 4.227 -15.922 1.00 64.41 H new ATOM 0 HA ASN A 13 -23.922 3.326 -13.587 1.00 53.12 H new ATOM 0 HB2 ASN A 13 -24.130 5.704 -14.671 1.00 13.14 H new ATOM 0 HB3 ASN A 13 -25.601 5.844 -13.729 1.00 13.14 H new ATOM 0 HD21 ASN A 13 -23.208 7.352 -11.472 1.00 10.33 H new ATOM 0 HD22 ASN A 13 -24.225 7.706 -12.872 1.00 10.33 H new ATOM 201 N PHE A 14 -27.187 3.774 -13.258 1.00 23.51 N ATOM 202 CA PHE A 14 -28.339 3.421 -12.436 1.00 42.14 C ATOM 203 C PHE A 14 -28.758 1.974 -12.680 1.00 54.41 C ATOM 204 O PHE A 14 -29.583 1.694 -13.549 1.00 64.42 O ATOM 205 CB PHE A 14 -29.510 4.360 -12.733 1.00 3.43 C ATOM 206 CG PHE A 14 -29.090 5.669 -13.339 1.00 21.02 C ATOM 207 CD1 PHE A 14 -28.668 6.716 -12.535 1.00 55.23 C ATOM 208 CD2 PHE A 14 -29.116 5.852 -14.712 1.00 30.30 C ATOM 209 CE1 PHE A 14 -28.282 7.922 -13.090 1.00 74.55 C ATOM 210 CE2 PHE A 14 -28.731 7.055 -15.273 1.00 23.20 C ATOM 211 CZ PHE A 14 -28.312 8.091 -14.461 1.00 73.40 C ATOM 0 H PHE A 14 -27.413 4.322 -14.088 1.00 23.51 H new ATOM 0 HA PHE A 14 -28.054 3.526 -11.389 1.00 42.14 H new ATOM 0 HB2 PHE A 14 -30.203 3.861 -13.410 1.00 3.43 H new ATOM 0 HB3 PHE A 14 -30.053 4.555 -11.808 1.00 3.43 H new ATOM 0 HD1 PHE A 14 -28.640 6.588 -11.463 1.00 55.23 H new ATOM 0 HD2 PHE A 14 -29.441 5.045 -15.352 1.00 30.30 H new ATOM 0 HE1 PHE A 14 -27.957 8.731 -12.453 1.00 74.55 H new ATOM 0 HE2 PHE A 14 -28.758 7.185 -16.345 1.00 23.20 H new ATOM 0 HZ PHE A 14 -28.008 9.031 -14.897 1.00 73.40 H new ATOM 221 N GLY A 15 -28.184 1.059 -11.906 1.00 3.15 N ATOM 222 CA GLY A 15 -28.509 -0.347 -12.053 1.00 33.54 C ATOM 223 C GLY A 15 -27.441 -1.114 -12.807 1.00 54.04 C ATOM 224 O GLY A 15 -27.638 -1.493 -13.961 1.00 70.31 O ATOM 0 H GLY A 15 -27.499 1.267 -11.179 1.00 3.15 H new ATOM 0 HA2 GLY A 15 -28.642 -0.791 -11.066 1.00 33.54 H new ATOM 0 HA3 GLY A 15 -29.460 -0.444 -12.577 1.00 33.54 H new ATOM 228 N GLY A 16 -26.305 -1.341 -12.155 1.00 33.30 N ATOM 229 CA GLY A 16 -25.218 -2.065 -12.788 1.00 52.22 C ATOM 230 C GLY A 16 -24.239 -2.637 -11.782 1.00 73.14 C ATOM 231 O GLY A 16 -24.257 -2.269 -10.608 1.00 12.43 O ATOM 0 H GLY A 16 -26.118 -1.036 -11.200 1.00 33.30 H new ATOM 0 HA2 GLY A 16 -25.628 -2.874 -13.392 1.00 52.22 H new ATOM 0 HA3 GLY A 16 -24.688 -1.397 -13.467 1.00 52.22 H new ATOM 235 N LYS A 17 -23.382 -3.543 -12.242 1.00 55.53 N ATOM 236 CA LYS A 17 -22.391 -4.168 -11.375 1.00 72.43 C ATOM 237 C LYS A 17 -21.095 -3.364 -11.361 1.00 53.11 C ATOM 238 O LYS A 17 -20.621 -2.915 -12.405 1.00 22.15 O ATOM 239 CB LYS A 17 -22.110 -5.600 -11.838 1.00 11.11 C ATOM 240 CG LYS A 17 -21.374 -5.677 -13.164 1.00 24.00 C ATOM 241 CD LYS A 17 -19.938 -6.138 -12.978 1.00 63.12 C ATOM 242 CE LYS A 17 -19.873 -7.575 -12.484 1.00 72.34 C ATOM 243 NZ LYS A 17 -19.509 -7.650 -11.042 1.00 73.54 N ATOM 0 H LYS A 17 -23.354 -3.860 -13.211 1.00 55.53 H new ATOM 0 HA LYS A 17 -22.794 -4.192 -10.362 1.00 72.43 H new ATOM 0 HB2 LYS A 17 -21.522 -6.111 -11.075 1.00 11.11 H new ATOM 0 HB3 LYS A 17 -23.055 -6.137 -11.925 1.00 11.11 H new ATOM 0 HG2 LYS A 17 -21.894 -6.364 -13.831 1.00 24.00 H new ATOM 0 HG3 LYS A 17 -21.384 -4.698 -13.644 1.00 24.00 H new ATOM 0 HD2 LYS A 17 -19.402 -6.053 -13.923 1.00 63.12 H new ATOM 0 HD3 LYS A 17 -19.434 -5.484 -12.266 1.00 63.12 H new ATOM 0 HE2 LYS A 17 -20.838 -8.057 -12.640 1.00 72.34 H new ATOM 0 HE3 LYS A 17 -19.141 -8.129 -13.072 1.00 72.34 H new ATOM 0 HZ1 LYS A 17 -20.073 -8.391 -10.580 1.00 73.54 H new ATOM 0 HZ2 LYS A 17 -18.498 -7.877 -10.950 1.00 73.54 H new ATOM 0 HZ3 LYS A 17 -19.701 -6.734 -10.587 1.00 73.54 H new ATOM 257 N SER A 18 -20.527 -3.187 -10.173 1.00 11.43 N ATOM 258 CA SER A 18 -19.287 -2.434 -10.023 1.00 30.21 C ATOM 259 C SER A 18 -18.081 -3.369 -10.023 1.00 51.34 C ATOM 260 O SER A 18 -17.936 -4.215 -9.140 1.00 52.55 O ATOM 261 CB SER A 18 -19.314 -1.618 -8.729 1.00 22.41 C ATOM 262 OG SER A 18 -19.045 -2.437 -7.604 1.00 62.31 O ATOM 0 H SER A 18 -20.905 -3.555 -9.300 1.00 11.43 H new ATOM 0 HA SER A 18 -19.199 -1.754 -10.871 1.00 30.21 H new ATOM 0 HB2 SER A 18 -18.576 -0.817 -8.785 1.00 22.41 H new ATOM 0 HB3 SER A 18 -20.289 -1.145 -8.614 1.00 22.41 H new ATOM 0 HG SER A 18 -18.816 -3.341 -7.905 1.00 62.31 H new ATOM 268 N PHE A 19 -17.218 -3.210 -11.021 1.00 4.41 N ATOM 269 CA PHE A 19 -16.024 -4.039 -11.138 1.00 60.05 C ATOM 270 C PHE A 19 -14.800 -3.312 -10.589 1.00 52.21 C ATOM 271 O PHE A 19 -14.204 -2.476 -11.269 1.00 72.20 O ATOM 272 CB PHE A 19 -15.788 -4.426 -12.600 1.00 21.01 C ATOM 273 CG PHE A 19 -15.695 -5.909 -12.820 1.00 1.13 C ATOM 274 CD1 PHE A 19 -16.674 -6.758 -12.330 1.00 53.02 C ATOM 275 CD2 PHE A 19 -14.628 -6.454 -13.516 1.00 54.24 C ATOM 276 CE1 PHE A 19 -16.591 -8.123 -12.531 1.00 4.15 C ATOM 277 CE2 PHE A 19 -14.539 -7.818 -13.720 1.00 54.02 C ATOM 278 CZ PHE A 19 -15.523 -8.653 -13.227 1.00 64.44 C ATOM 0 H PHE A 19 -17.323 -2.515 -11.760 1.00 4.41 H new ATOM 0 HA PHE A 19 -16.181 -4.943 -10.550 1.00 60.05 H new ATOM 0 HB2 PHE A 19 -16.599 -4.027 -13.209 1.00 21.01 H new ATOM 0 HB3 PHE A 19 -14.868 -3.957 -12.948 1.00 21.01 H new ATOM 0 HD1 PHE A 19 -17.512 -6.349 -11.785 1.00 53.02 H new ATOM 0 HD2 PHE A 19 -13.857 -5.805 -13.904 1.00 54.24 H new ATOM 0 HE1 PHE A 19 -17.361 -8.774 -12.144 1.00 4.15 H new ATOM 0 HE2 PHE A 19 -13.702 -8.230 -14.264 1.00 54.02 H new ATOM 0 HZ PHE A 19 -15.457 -9.719 -13.386 1.00 64.44 H new ATOM 461 N ASP A 34 -24.210 -3.589 -25.928 1.00 64.42 N ATOM 462 CA ASP A 34 -23.353 -2.430 -25.709 1.00 13.51 C ATOM 463 C ASP A 34 -24.181 -1.209 -25.317 1.00 22.40 C ATOM 464 O ASP A 34 -24.335 -0.272 -26.101 1.00 21.25 O ATOM 465 CB ASP A 34 -22.538 -2.126 -26.967 1.00 11.41 C ATOM 466 CG ASP A 34 -21.172 -2.783 -26.945 1.00 34.53 C ATOM 467 OD1 ASP A 34 -20.603 -2.931 -25.843 1.00 52.12 O ATOM 468 OD2 ASP A 34 -20.672 -3.150 -28.029 1.00 34.20 O ATOM 0 HA ASP A 34 -22.671 -2.663 -24.891 1.00 13.51 H new ATOM 0 HB2 ASP A 34 -23.088 -2.467 -27.844 1.00 11.41 H new ATOM 0 HB3 ASP A 34 -22.417 -1.047 -27.066 1.00 11.41 H new ATOM 473 N LYS A 35 -24.713 -1.228 -24.100 1.00 2.15 N ATOM 474 CA LYS A 35 -25.525 -0.124 -23.602 1.00 41.10 C ATOM 475 C LYS A 35 -24.662 0.899 -22.870 1.00 15.04 C ATOM 476 O LYS A 35 -23.457 0.707 -22.709 1.00 62.22 O ATOM 477 CB LYS A 35 -26.617 -0.648 -22.667 1.00 75.24 C ATOM 478 CG LYS A 35 -27.969 -0.809 -23.342 1.00 10.24 C ATOM 479 CD LYS A 35 -27.880 -1.711 -24.561 1.00 32.20 C ATOM 480 CE LYS A 35 -28.056 -0.924 -25.851 1.00 22.23 C ATOM 481 NZ LYS A 35 -29.484 -0.586 -26.104 1.00 3.31 N ATOM 0 H LYS A 35 -24.596 -1.997 -23.440 1.00 2.15 H new ATOM 0 HA LYS A 35 -25.992 0.365 -24.457 1.00 41.10 H new ATOM 0 HB2 LYS A 35 -26.306 -1.611 -22.262 1.00 75.24 H new ATOM 0 HB3 LYS A 35 -26.720 0.035 -21.824 1.00 75.24 H new ATOM 0 HG2 LYS A 35 -28.684 -1.225 -22.632 1.00 10.24 H new ATOM 0 HG3 LYS A 35 -28.347 0.169 -23.639 1.00 10.24 H new ATOM 0 HD2 LYS A 35 -26.914 -2.217 -24.571 1.00 32.20 H new ATOM 0 HD3 LYS A 35 -28.645 -2.485 -24.499 1.00 32.20 H new ATOM 0 HE2 LYS A 35 -27.469 -0.007 -25.800 1.00 22.23 H new ATOM 0 HE3 LYS A 35 -27.667 -1.505 -26.687 1.00 22.23 H new ATOM 0 HZ1 LYS A 35 -29.562 -0.050 -26.992 1.00 3.31 H new ATOM 0 HZ2 LYS A 35 -30.040 -1.462 -26.178 1.00 3.31 H new ATOM 0 HZ3 LYS A 35 -29.849 -0.010 -25.319 1.00 3.31 H new ATOM 495 N ILE A 36 -25.288 1.984 -22.426 1.00 41.44 N ATOM 496 CA ILE A 36 -24.577 3.035 -21.709 1.00 12.42 C ATOM 497 C ILE A 36 -23.756 2.458 -20.561 1.00 4.51 C ATOM 498 O ILE A 36 -24.304 1.908 -19.607 1.00 33.15 O ATOM 499 CB ILE A 36 -25.549 4.091 -21.150 1.00 1.34 C ATOM 500 CG1 ILE A 36 -24.803 5.075 -20.246 1.00 23.01 C ATOM 501 CG2 ILE A 36 -26.681 3.419 -20.388 1.00 73.43 C ATOM 502 CD1 ILE A 36 -25.302 6.498 -20.360 1.00 44.41 C ATOM 0 H ILE A 36 -26.285 2.158 -22.550 1.00 41.44 H new ATOM 0 HA ILE A 36 -23.909 3.511 -22.427 1.00 12.42 H new ATOM 0 HB ILE A 36 -25.978 4.646 -21.985 1.00 1.34 H new ATOM 0 HG12 ILE A 36 -24.897 4.748 -19.211 1.00 23.01 H new ATOM 0 HG13 ILE A 36 -23.742 5.050 -20.493 1.00 23.01 H new ATOM 0 HG21 ILE A 36 -27.359 4.179 -19.999 1.00 73.43 H new ATOM 0 HG22 ILE A 36 -27.226 2.754 -21.058 1.00 73.43 H new ATOM 0 HG23 ILE A 36 -26.270 2.842 -19.560 1.00 73.43 H new ATOM 0 HD11 ILE A 36 -24.728 7.140 -19.692 1.00 44.41 H new ATOM 0 HD12 ILE A 36 -25.183 6.844 -21.387 1.00 44.41 H new ATOM 0 HD13 ILE A 36 -26.356 6.537 -20.084 1.00 44.41 H new ATOM 514 N SER A 37 -22.437 2.590 -20.660 1.00 4.31 N ATOM 515 CA SER A 37 -21.538 2.080 -19.631 1.00 11.42 C ATOM 516 C SER A 37 -20.935 3.224 -18.821 1.00 11.11 C ATOM 517 O SER A 37 -20.917 4.372 -19.265 1.00 74.00 O ATOM 518 CB SER A 37 -20.423 1.246 -20.265 1.00 13.21 C ATOM 519 OG SER A 37 -20.165 0.078 -19.505 1.00 54.12 O ATOM 0 H SER A 37 -21.967 3.046 -21.442 1.00 4.31 H new ATOM 0 HA SER A 37 -22.117 1.447 -18.959 1.00 11.42 H new ATOM 0 HB2 SER A 37 -20.705 0.968 -21.281 1.00 13.21 H new ATOM 0 HB3 SER A 37 -19.515 1.844 -20.339 1.00 13.21 H new ATOM 0 HG SER A 37 -19.844 0.331 -18.614 1.00 54.12 H new ATOM 525 N SER A 38 -20.442 2.901 -17.630 1.00 3.34 N ATOM 526 CA SER A 38 -19.841 3.901 -16.755 1.00 1.34 C ATOM 527 C SER A 38 -18.409 3.517 -16.394 1.00 11.42 C ATOM 528 O SER A 38 -18.180 2.581 -15.628 1.00 74.40 O ATOM 529 CB SER A 38 -20.674 4.062 -15.482 1.00 10.34 C ATOM 530 OG SER A 38 -19.872 4.505 -14.400 1.00 73.50 O ATOM 0 H SER A 38 -20.447 1.955 -17.249 1.00 3.34 H new ATOM 0 HA SER A 38 -19.820 4.851 -17.290 1.00 1.34 H new ATOM 0 HB2 SER A 38 -21.479 4.776 -15.658 1.00 10.34 H new ATOM 0 HB3 SER A 38 -21.141 3.111 -15.227 1.00 10.34 H new ATOM 0 HG SER A 38 -20.428 4.602 -13.599 1.00 73.50 H new ATOM 536 N ILE A 39 -17.449 4.248 -16.951 1.00 32.10 N ATOM 537 CA ILE A 39 -16.040 3.985 -16.688 1.00 2.43 C ATOM 538 C ILE A 39 -15.393 5.150 -15.945 1.00 33.54 C ATOM 539 O ILE A 39 -15.100 6.190 -16.533 1.00 51.51 O ATOM 540 CB ILE A 39 -15.262 3.728 -17.992 1.00 21.03 C ATOM 541 CG1 ILE A 39 -15.489 2.293 -18.472 1.00 54.22 C ATOM 542 CG2 ILE A 39 -13.778 3.994 -17.785 1.00 14.12 C ATOM 543 CD1 ILE A 39 -16.927 2.000 -18.839 1.00 72.33 C ATOM 0 H ILE A 39 -17.622 5.027 -17.587 1.00 32.10 H new ATOM 0 HA ILE A 39 -15.997 3.091 -16.066 1.00 2.43 H new ATOM 0 HB ILE A 39 -15.630 4.411 -18.758 1.00 21.03 H new ATOM 0 HG12 ILE A 39 -14.855 2.104 -19.338 1.00 54.22 H new ATOM 0 HG13 ILE A 39 -15.174 1.602 -17.690 1.00 54.22 H new ATOM 0 HG21 ILE A 39 -13.242 3.808 -18.716 1.00 14.12 H new ATOM 0 HG22 ILE A 39 -13.633 5.031 -17.484 1.00 14.12 H new ATOM 0 HG23 ILE A 39 -13.395 3.333 -17.007 1.00 14.12 H new ATOM 0 HD11 ILE A 39 -17.014 0.965 -19.170 1.00 72.33 H new ATOM 0 HD12 ILE A 39 -17.564 2.157 -17.969 1.00 72.33 H new ATOM 0 HD13 ILE A 39 -17.240 2.666 -19.643 1.00 72.33 H new ATOM 555 N LYS A 40 -15.172 4.966 -14.647 1.00 45.15 N ATOM 556 CA LYS A 40 -14.556 5.999 -13.822 1.00 74.04 C ATOM 557 C LYS A 40 -13.250 5.502 -13.212 1.00 62.44 C ATOM 558 O LYS A 40 -13.254 4.782 -12.213 1.00 44.42 O ATOM 559 CB LYS A 40 -15.517 6.433 -12.713 1.00 3.52 C ATOM 560 CG LYS A 40 -15.166 7.777 -12.096 1.00 61.43 C ATOM 561 CD LYS A 40 -15.170 7.712 -10.578 1.00 75.52 C ATOM 562 CE LYS A 40 -14.771 9.044 -9.962 1.00 71.41 C ATOM 563 NZ LYS A 40 -15.959 9.864 -9.596 1.00 60.13 N ATOM 0 H LYS A 40 -15.410 4.111 -14.144 1.00 45.15 H new ATOM 0 HA LYS A 40 -14.335 6.855 -14.460 1.00 74.04 H new ATOM 0 HB2 LYS A 40 -16.528 6.481 -13.118 1.00 3.52 H new ATOM 0 HB3 LYS A 40 -15.523 5.674 -11.931 1.00 3.52 H new ATOM 0 HG2 LYS A 40 -14.183 8.093 -12.445 1.00 61.43 H new ATOM 0 HG3 LYS A 40 -15.880 8.530 -12.431 1.00 61.43 H new ATOM 0 HD2 LYS A 40 -16.163 7.431 -10.227 1.00 75.52 H new ATOM 0 HD3 LYS A 40 -14.482 6.935 -10.244 1.00 75.52 H new ATOM 0 HE2 LYS A 40 -14.165 8.866 -9.074 1.00 71.41 H new ATOM 0 HE3 LYS A 40 -14.150 9.598 -10.666 1.00 71.41 H new ATOM 0 HZ1 LYS A 40 -15.645 10.764 -9.180 1.00 60.13 H new ATOM 0 HZ2 LYS A 40 -16.524 10.055 -10.448 1.00 60.13 H new ATOM 0 HZ3 LYS A 40 -16.539 9.346 -8.905 1.00 60.13 H new ATOM 577 N VAL A 41 -12.133 5.890 -13.819 1.00 42.52 N ATOM 578 CA VAL A 41 -10.819 5.486 -13.334 1.00 43.11 C ATOM 579 C VAL A 41 -9.765 6.539 -13.659 1.00 61.35 C ATOM 580 O VAL A 41 -9.831 7.200 -14.696 1.00 12.33 O ATOM 581 CB VAL A 41 -10.387 4.138 -13.941 1.00 45.22 C ATOM 582 CG1 VAL A 41 -8.999 3.752 -13.452 1.00 42.42 C ATOM 583 CG2 VAL A 41 -11.400 3.054 -13.606 1.00 5.04 C ATOM 0 H VAL A 41 -12.112 6.484 -14.648 1.00 42.52 H new ATOM 0 HA VAL A 41 -10.900 5.380 -12.252 1.00 43.11 H new ATOM 0 HB VAL A 41 -10.347 4.244 -15.025 1.00 45.22 H new ATOM 0 HG11 VAL A 41 -8.711 2.797 -13.891 1.00 42.42 H new ATOM 0 HG12 VAL A 41 -8.283 4.518 -13.748 1.00 42.42 H new ATOM 0 HG13 VAL A 41 -9.008 3.664 -12.366 1.00 42.42 H new ATOM 0 HG21 VAL A 41 -11.079 2.108 -14.043 1.00 5.04 H new ATOM 0 HG22 VAL A 41 -11.474 2.947 -12.524 1.00 5.04 H new ATOM 0 HG23 VAL A 41 -12.374 3.329 -14.011 1.00 5.04 H new ATOM 593 N LYS A 42 -8.792 6.689 -12.768 1.00 4.05 N ATOM 594 CA LYS A 42 -7.721 7.660 -12.959 1.00 41.01 C ATOM 595 C LYS A 42 -6.356 7.015 -12.742 1.00 20.25 C ATOM 596 O LYS A 42 -5.826 7.020 -11.630 1.00 75.13 O ATOM 597 CB LYS A 42 -7.897 8.840 -12.001 1.00 54.30 C ATOM 598 CG LYS A 42 -9.309 9.400 -11.980 1.00 11.45 C ATOM 599 CD LYS A 42 -9.950 9.244 -10.611 1.00 34.21 C ATOM 600 CE LYS A 42 -10.147 7.779 -10.252 1.00 20.12 C ATOM 601 NZ LYS A 42 -10.568 7.607 -8.834 1.00 1.12 N ATOM 0 H LYS A 42 -8.723 6.150 -11.905 1.00 4.05 H new ATOM 0 HA LYS A 42 -7.773 8.023 -13.986 1.00 41.01 H new ATOM 0 HB2 LYS A 42 -7.626 8.523 -10.994 1.00 54.30 H new ATOM 0 HB3 LYS A 42 -7.205 9.633 -12.283 1.00 54.30 H new ATOM 0 HG2 LYS A 42 -9.287 10.455 -12.255 1.00 11.45 H new ATOM 0 HG3 LYS A 42 -9.916 8.888 -12.727 1.00 11.45 H new ATOM 0 HD2 LYS A 42 -9.324 9.723 -9.858 1.00 34.21 H new ATOM 0 HD3 LYS A 42 -10.912 9.756 -10.598 1.00 34.21 H new ATOM 0 HE2 LYS A 42 -10.899 7.342 -10.909 1.00 20.12 H new ATOM 0 HE3 LYS A 42 -9.218 7.235 -10.424 1.00 20.12 H new ATOM 0 HZ1 LYS A 42 -10.692 6.595 -8.629 1.00 1.12 H new ATOM 0 HZ2 LYS A 42 -9.839 8.001 -8.205 1.00 1.12 H new ATOM 0 HZ3 LYS A 42 -11.467 8.105 -8.676 1.00 1.12 H new ATOM 615 N SER A 43 -5.791 6.461 -13.810 1.00 11.22 N ATOM 616 CA SER A 43 -4.489 5.810 -13.735 1.00 5.03 C ATOM 617 C SER A 43 -3.921 5.568 -15.130 1.00 71.40 C ATOM 618 O SER A 43 -4.297 4.612 -15.808 1.00 23.03 O ATOM 619 CB SER A 43 -4.600 4.484 -12.980 1.00 14.12 C ATOM 620 OG SER A 43 -5.709 3.729 -13.437 1.00 11.02 O ATOM 0 H SER A 43 -6.215 6.450 -14.738 1.00 11.22 H new ATOM 0 HA SER A 43 -3.811 6.471 -13.195 1.00 5.03 H new ATOM 0 HB2 SER A 43 -3.684 3.908 -13.113 1.00 14.12 H new ATOM 0 HB3 SER A 43 -4.703 4.677 -11.912 1.00 14.12 H new ATOM 0 HG SER A 43 -5.622 3.570 -14.400 1.00 11.02 H new ATOM 626 N GLY A 44 -3.013 6.442 -15.553 1.00 22.30 N ATOM 627 CA GLY A 44 -2.408 6.306 -16.865 1.00 45.40 C ATOM 628 C GLY A 44 -3.438 6.245 -17.975 1.00 62.12 C ATOM 629 O GLY A 44 -4.456 6.936 -17.927 1.00 72.33 O ATOM 0 H GLY A 44 -2.686 7.242 -15.011 1.00 22.30 H new ATOM 0 HA2 GLY A 44 -1.738 7.147 -17.041 1.00 45.40 H new ATOM 0 HA3 GLY A 44 -1.799 5.402 -16.889 1.00 45.40 H new ATOM 633 N THR A 45 -3.173 5.416 -18.981 1.00 15.23 N ATOM 634 CA THR A 45 -4.084 5.269 -20.109 1.00 43.13 C ATOM 635 C THR A 45 -4.497 3.814 -20.296 1.00 71.22 C ATOM 636 O THR A 45 -3.756 2.898 -19.939 1.00 73.24 O ATOM 637 CB THR A 45 -3.447 5.782 -21.415 1.00 31.21 C ATOM 638 OG1 THR A 45 -2.289 5.002 -21.735 1.00 13.35 O ATOM 639 CG2 THR A 45 -3.059 7.247 -21.289 1.00 11.34 C ATOM 0 H THR A 45 -2.335 4.837 -19.037 1.00 15.23 H new ATOM 0 HA THR A 45 -4.966 5.868 -19.883 1.00 43.13 H new ATOM 0 HB THR A 45 -4.182 5.685 -22.214 1.00 31.21 H new ATOM 0 HG1 THR A 45 -1.891 5.333 -22.567 1.00 13.35 H new ATOM 0 HG21 THR A 45 -2.611 7.587 -22.223 1.00 11.34 H new ATOM 0 HG22 THR A 45 -3.947 7.842 -21.075 1.00 11.34 H new ATOM 0 HG23 THR A 45 -2.340 7.364 -20.478 1.00 11.34 H new ATOM 647 N TRP A 46 -5.683 3.608 -20.858 1.00 2.32 N ATOM 648 CA TRP A 46 -6.194 2.263 -21.093 1.00 31.43 C ATOM 649 C TRP A 46 -6.735 2.126 -22.511 1.00 73.25 C ATOM 650 O TRP A 46 -7.045 3.121 -23.166 1.00 13.41 O ATOM 651 CB TRP A 46 -7.291 1.928 -20.081 1.00 30.23 C ATOM 652 CG TRP A 46 -7.287 2.827 -18.881 1.00 74.25 C ATOM 653 CD1 TRP A 46 -6.293 2.951 -17.954 1.00 12.35 C ATOM 654 CD2 TRP A 46 -8.328 3.725 -18.481 1.00 21.14 C ATOM 655 NE1 TRP A 46 -6.653 3.873 -17.000 1.00 20.32 N ATOM 656 CE2 TRP A 46 -7.896 4.362 -17.301 1.00 13.41 C ATOM 657 CE3 TRP A 46 -9.581 4.054 -19.004 1.00 41.12 C ATOM 658 CZ2 TRP A 46 -8.675 5.307 -16.638 1.00 40.53 C ATOM 659 CZ3 TRP A 46 -10.353 4.992 -18.345 1.00 43.12 C ATOM 660 CH2 TRP A 46 -9.898 5.611 -17.173 1.00 65.51 C ATOM 0 H TRP A 46 -6.308 4.355 -21.159 1.00 2.32 H new ATOM 0 HA TRP A 46 -5.369 1.561 -20.970 1.00 31.43 H new ATOM 0 HB2 TRP A 46 -8.262 1.995 -20.573 1.00 30.23 H new ATOM 0 HB3 TRP A 46 -7.170 0.896 -19.753 1.00 30.23 H new ATOM 0 HD1 TRP A 46 -5.361 2.405 -17.968 1.00 12.35 H new ATOM 0 HE1 TRP A 46 -6.086 4.148 -16.198 1.00 20.32 H new ATOM 0 HE3 TRP A 46 -9.940 3.584 -19.907 1.00 41.12 H new ATOM 0 HZ2 TRP A 46 -8.327 5.783 -15.734 1.00 40.53 H new ATOM 0 HZ3 TRP A 46 -11.324 5.252 -18.740 1.00 43.12 H new ATOM 0 HH2 TRP A 46 -10.524 6.342 -16.682 1.00 65.51 H new ATOM 671 N ARG A 47 -6.847 0.888 -22.981 1.00 64.50 N ATOM 672 CA ARG A 47 -7.350 0.622 -24.323 1.00 62.33 C ATOM 673 C ARG A 47 -8.672 -0.138 -24.268 1.00 10.13 C ATOM 674 O ARG A 47 -8.700 -1.336 -23.987 1.00 72.41 O ATOM 675 CB ARG A 47 -6.323 -0.178 -25.127 1.00 30.53 C ATOM 676 CG ARG A 47 -5.080 0.617 -25.490 1.00 51.34 C ATOM 677 CD ARG A 47 -3.858 0.118 -24.736 1.00 32.43 C ATOM 678 NE ARG A 47 -2.612 0.538 -25.372 1.00 34.14 N ATOM 679 CZ ARG A 47 -1.408 0.240 -24.897 1.00 71.30 C ATOM 680 NH1 ARG A 47 -1.288 -0.477 -23.788 1.00 64.01 N ATOM 681 NH2 ARG A 47 -0.321 0.658 -25.532 1.00 40.44 N ATOM 0 H ARG A 47 -6.596 0.053 -22.452 1.00 64.50 H new ATOM 0 HA ARG A 47 -7.521 1.579 -24.815 1.00 62.33 H new ATOM 0 HB2 ARG A 47 -6.028 -1.055 -24.552 1.00 30.53 H new ATOM 0 HB3 ARG A 47 -6.792 -0.540 -26.042 1.00 30.53 H new ATOM 0 HG2 ARG A 47 -4.901 0.545 -26.563 1.00 51.34 H new ATOM 0 HG3 ARG A 47 -5.242 1.671 -25.264 1.00 51.34 H new ATOM 0 HD2 ARG A 47 -3.886 0.492 -23.712 1.00 32.43 H new ATOM 0 HD3 ARG A 47 -3.887 -0.970 -24.679 1.00 32.43 H new ATOM 0 HE ARG A 47 -2.670 1.090 -26.228 1.00 34.14 H new ATOM 0 HH11 ARG A 47 -2.122 -0.801 -23.298 1.00 64.01 H new ATOM 0 HH12 ARG A 47 -0.362 -0.704 -23.425 1.00 64.01 H new ATOM 0 HH21 ARG A 47 -0.409 1.209 -26.386 1.00 40.44 H new ATOM 0 HH22 ARG A 47 0.603 0.429 -25.166 1.00 40.44 H new ATOM 695 N PHE A 48 -9.766 0.568 -24.536 1.00 64.34 N ATOM 696 CA PHE A 48 -11.091 -0.039 -24.516 1.00 34.35 C ATOM 697 C PHE A 48 -11.495 -0.511 -25.909 1.00 73.52 C ATOM 698 O PHE A 48 -11.337 0.213 -26.892 1.00 64.32 O ATOM 699 CB PHE A 48 -12.123 0.957 -23.983 1.00 54.02 C ATOM 700 CG PHE A 48 -12.358 0.845 -22.504 1.00 23.41 C ATOM 701 CD1 PHE A 48 -13.243 -0.094 -21.999 1.00 14.32 C ATOM 702 CD2 PHE A 48 -11.692 1.677 -21.618 1.00 70.44 C ATOM 703 CE1 PHE A 48 -13.461 -0.199 -20.638 1.00 54.41 C ATOM 704 CE2 PHE A 48 -11.906 1.576 -20.256 1.00 44.04 C ATOM 705 CZ PHE A 48 -12.791 0.636 -19.766 1.00 2.32 C ATOM 0 H PHE A 48 -9.760 1.561 -24.769 1.00 64.34 H new ATOM 0 HA PHE A 48 -11.056 -0.905 -23.855 1.00 34.35 H new ATOM 0 HB2 PHE A 48 -11.792 1.969 -24.214 1.00 54.02 H new ATOM 0 HB3 PHE A 48 -13.067 0.803 -24.505 1.00 54.02 H new ATOM 0 HD1 PHE A 48 -13.768 -0.751 -22.676 1.00 14.32 H new ATOM 0 HD2 PHE A 48 -10.998 2.413 -21.996 1.00 70.44 H new ATOM 0 HE1 PHE A 48 -14.155 -0.934 -20.257 1.00 54.41 H new ATOM 0 HE2 PHE A 48 -11.382 2.231 -19.576 1.00 44.04 H new ATOM 0 HZ PHE A 48 -12.959 0.554 -18.702 1.00 2.32 H new ATOM 715 N TYR A 49 -12.018 -1.730 -25.986 1.00 24.42 N ATOM 716 CA TYR A 49 -12.442 -2.302 -27.259 1.00 3.45 C ATOM 717 C TYR A 49 -13.422 -3.450 -27.041 1.00 14.25 C ATOM 718 O TYR A 49 -13.122 -4.411 -26.333 1.00 43.32 O ATOM 719 CB TYR A 49 -11.229 -2.795 -28.049 1.00 71.14 C ATOM 720 CG TYR A 49 -10.171 -3.450 -27.190 1.00 52.20 C ATOM 721 CD1 TYR A 49 -10.291 -4.778 -26.798 1.00 43.41 C ATOM 722 CD2 TYR A 49 -9.053 -2.741 -26.769 1.00 50.21 C ATOM 723 CE1 TYR A 49 -9.327 -5.380 -26.012 1.00 52.14 C ATOM 724 CE2 TYR A 49 -8.084 -3.335 -25.985 1.00 21.34 C ATOM 725 CZ TYR A 49 -8.225 -4.655 -25.609 1.00 15.23 C ATOM 726 OH TYR A 49 -7.263 -5.250 -24.826 1.00 60.30 O ATOM 0 H TYR A 49 -12.159 -2.341 -25.182 1.00 24.42 H new ATOM 0 HA TYR A 49 -12.946 -1.522 -27.829 1.00 3.45 H new ATOM 0 HB2 TYR A 49 -11.563 -3.506 -28.804 1.00 71.14 H new ATOM 0 HB3 TYR A 49 -10.784 -1.953 -28.579 1.00 71.14 H new ATOM 0 HD1 TYR A 49 -11.152 -5.349 -27.113 1.00 43.41 H new ATOM 0 HD2 TYR A 49 -8.940 -1.707 -27.060 1.00 50.21 H new ATOM 0 HE1 TYR A 49 -9.436 -6.413 -25.715 1.00 52.14 H new ATOM 0 HE2 TYR A 49 -7.220 -2.769 -25.668 1.00 21.34 H new ATOM 0 HH TYR A 49 -6.553 -4.603 -24.631 1.00 60.30 H new ATOM 736 N GLU A 50 -14.596 -3.341 -27.655 1.00 34.43 N ATOM 737 CA GLU A 50 -15.622 -4.370 -27.528 1.00 61.20 C ATOM 738 C GLU A 50 -15.543 -5.362 -28.685 1.00 20.53 C ATOM 739 O GLU A 50 -16.361 -5.327 -29.604 1.00 41.13 O ATOM 740 CB GLU A 50 -17.012 -3.733 -27.482 1.00 53.13 C ATOM 741 CG GLU A 50 -17.571 -3.590 -26.076 1.00 65.24 C ATOM 742 CD GLU A 50 -17.588 -2.151 -25.599 1.00 73.10 C ATOM 743 OE1 GLU A 50 -16.685 -1.384 -25.995 1.00 35.20 O ATOM 744 OE2 GLU A 50 -18.504 -1.792 -24.830 1.00 1.31 O ATOM 0 H GLU A 50 -14.860 -2.552 -28.245 1.00 34.43 H new ATOM 0 HA GLU A 50 -15.447 -4.909 -26.597 1.00 61.20 H new ATOM 0 HB2 GLU A 50 -16.967 -2.748 -27.948 1.00 53.13 H new ATOM 0 HB3 GLU A 50 -17.698 -4.336 -28.077 1.00 53.13 H new ATOM 0 HG2 GLU A 50 -18.585 -3.990 -26.050 1.00 65.24 H new ATOM 0 HG3 GLU A 50 -16.974 -4.190 -25.389 1.00 65.24 H new ATOM 751 N TYR A 51 -14.553 -6.246 -28.631 1.00 62.24 N ATOM 752 CA TYR A 51 -14.364 -7.247 -29.675 1.00 52.43 C ATOM 753 C TYR A 51 -13.130 -8.099 -29.396 1.00 40.04 C ATOM 754 O TYR A 51 -12.478 -7.948 -28.362 1.00 54.25 O ATOM 755 CB TYR A 51 -14.233 -6.570 -31.041 1.00 62.50 C ATOM 756 CG TYR A 51 -15.380 -6.871 -31.978 1.00 75.04 C ATOM 757 CD1 TYR A 51 -15.763 -8.180 -32.243 1.00 31.24 C ATOM 758 CD2 TYR A 51 -16.083 -5.845 -32.599 1.00 61.31 C ATOM 759 CE1 TYR A 51 -16.811 -8.459 -33.099 1.00 25.30 C ATOM 760 CE2 TYR A 51 -17.133 -6.115 -33.456 1.00 4.12 C ATOM 761 CZ TYR A 51 -17.492 -7.423 -33.703 1.00 33.41 C ATOM 762 OH TYR A 51 -18.537 -7.697 -34.555 1.00 71.25 O ATOM 0 H TYR A 51 -13.869 -6.290 -27.876 1.00 62.24 H new ATOM 0 HA TYR A 51 -15.238 -7.898 -29.682 1.00 52.43 H new ATOM 0 HB2 TYR A 51 -14.165 -5.492 -30.898 1.00 62.50 H new ATOM 0 HB3 TYR A 51 -13.301 -6.889 -31.507 1.00 62.50 H new ATOM 0 HD1 TYR A 51 -15.232 -8.994 -31.772 1.00 31.24 H new ATOM 0 HD2 TYR A 51 -15.804 -4.819 -32.408 1.00 61.31 H new ATOM 0 HE1 TYR A 51 -17.095 -9.483 -33.294 1.00 25.30 H new ATOM 0 HE2 TYR A 51 -17.669 -5.306 -33.930 1.00 4.12 H new ATOM 0 HH TYR A 51 -18.910 -6.857 -34.895 1.00 71.25 H new ATOM 772 N ILE A 52 -12.815 -8.994 -30.326 1.00 70.23 N ATOM 773 CA ILE A 52 -11.659 -9.870 -30.183 1.00 5.35 C ATOM 774 C ILE A 52 -10.368 -9.064 -30.079 1.00 13.41 C ATOM 775 O ILE A 52 -10.275 -7.952 -30.598 1.00 75.32 O ATOM 776 CB ILE A 52 -11.544 -10.850 -31.365 1.00 34.34 C ATOM 777 CG1 ILE A 52 -10.574 -11.983 -31.024 1.00 21.10 C ATOM 778 CG2 ILE A 52 -11.092 -10.118 -32.619 1.00 14.51 C ATOM 779 CD1 ILE A 52 -11.001 -12.806 -29.829 1.00 12.02 C ATOM 0 H ILE A 52 -13.344 -9.132 -31.187 1.00 70.23 H new ATOM 0 HA ILE A 52 -11.806 -10.438 -29.264 1.00 5.35 H new ATOM 0 HB ILE A 52 -12.526 -11.283 -31.555 1.00 34.34 H new ATOM 0 HG12 ILE A 52 -10.475 -12.638 -31.889 1.00 21.10 H new ATOM 0 HG13 ILE A 52 -9.588 -11.560 -30.830 1.00 21.10 H new ATOM 0 HG21 ILE A 52 -11.016 -10.825 -33.445 1.00 14.51 H new ATOM 0 HG22 ILE A 52 -11.817 -9.344 -32.870 1.00 14.51 H new ATOM 0 HG23 ILE A 52 -10.119 -9.660 -32.442 1.00 14.51 H new ATOM 0 HD11 ILE A 52 -10.266 -13.590 -29.646 1.00 12.02 H new ATOM 0 HD12 ILE A 52 -11.072 -12.163 -28.951 1.00 12.02 H new ATOM 0 HD13 ILE A 52 -11.973 -13.258 -30.027 1.00 12.02 H new ATOM 791 N ASN A 53 -9.374 -9.633 -29.406 1.00 2.15 N ATOM 792 CA ASN A 53 -8.087 -8.968 -29.235 1.00 12.34 C ATOM 793 C ASN A 53 -7.461 -8.639 -30.586 1.00 51.25 C ATOM 794 O ASN A 53 -6.622 -7.744 -30.692 1.00 62.24 O ATOM 795 CB ASN A 53 -7.138 -9.850 -28.421 1.00 43.42 C ATOM 796 CG ASN A 53 -7.231 -9.579 -26.932 1.00 24.01 C ATOM 797 OD1 ASN A 53 -6.647 -8.620 -26.426 1.00 64.43 O ATOM 798 ND2 ASN A 53 -7.967 -10.426 -26.222 1.00 12.52 N ATOM 0 H ASN A 53 -9.434 -10.553 -28.970 1.00 2.15 H new ATOM 0 HA ASN A 53 -8.257 -8.035 -28.697 1.00 12.34 H new ATOM 0 HB2 ASN A 53 -7.367 -10.898 -28.612 1.00 43.42 H new ATOM 0 HB3 ASN A 53 -6.114 -9.682 -28.755 1.00 43.42 H new ATOM 0 HD21 ASN A 53 -8.066 -10.296 -25.215 1.00 12.52 H new ATOM 0 HD22 ASN A 53 -8.433 -11.207 -26.683 1.00 12.52 H new ATOM 805 N TYR A 54 -7.875 -9.368 -31.617 1.00 13.51 N ATOM 806 CA TYR A 54 -7.354 -9.155 -32.962 1.00 12.10 C ATOM 807 C TYR A 54 -8.485 -8.866 -33.945 1.00 3.12 C ATOM 808 O TYR A 54 -8.911 -9.744 -34.694 1.00 42.42 O ATOM 809 CB TYR A 54 -6.562 -10.379 -33.424 1.00 71.21 C ATOM 810 CG TYR A 54 -7.226 -11.694 -33.082 1.00 64.10 C ATOM 811 CD1 TYR A 54 -7.092 -12.253 -31.817 1.00 34.30 C ATOM 812 CD2 TYR A 54 -7.985 -12.378 -34.024 1.00 4.33 C ATOM 813 CE1 TYR A 54 -7.696 -13.455 -31.500 1.00 12.20 C ATOM 814 CE2 TYR A 54 -8.593 -13.579 -33.715 1.00 51.21 C ATOM 815 CZ TYR A 54 -8.446 -14.113 -32.452 1.00 62.42 C ATOM 816 OH TYR A 54 -9.049 -15.310 -32.141 1.00 72.43 O ATOM 0 H TYR A 54 -8.570 -10.111 -31.547 1.00 13.51 H new ATOM 0 HA TYR A 54 -6.691 -8.290 -32.935 1.00 12.10 H new ATOM 0 HB2 TYR A 54 -6.420 -10.323 -34.503 1.00 71.21 H new ATOM 0 HB3 TYR A 54 -5.571 -10.353 -32.970 1.00 71.21 H new ATOM 0 HD1 TYR A 54 -6.506 -11.740 -31.069 1.00 34.30 H new ATOM 0 HD2 TYR A 54 -8.101 -11.963 -35.014 1.00 4.33 H new ATOM 0 HE1 TYR A 54 -7.581 -13.877 -30.512 1.00 12.20 H new ATOM 0 HE2 TYR A 54 -9.180 -14.097 -34.458 1.00 51.21 H new ATOM 0 HH TYR A 54 -9.540 -15.641 -32.922 1.00 72.43 H new ATOM 826 N GLY A 55 -8.966 -7.626 -33.935 1.00 70.44 N ATOM 827 CA GLY A 55 -10.042 -7.242 -34.830 1.00 12.22 C ATOM 828 C GLY A 55 -11.247 -6.698 -34.087 1.00 43.15 C ATOM 829 O GLY A 55 -12.250 -7.391 -33.926 1.00 72.11 O ATOM 0 H GLY A 55 -8.630 -6.882 -33.324 1.00 70.44 H new ATOM 0 HA2 GLY A 55 -9.678 -6.488 -35.528 1.00 12.22 H new ATOM 0 HA3 GLY A 55 -10.344 -8.106 -35.422 1.00 12.22 H new ATOM 833 N GLY A 56 -11.147 -5.453 -33.632 1.00 41.43 N ATOM 834 CA GLY A 56 -12.243 -4.838 -32.906 1.00 71.05 C ATOM 835 C GLY A 56 -12.150 -3.325 -32.888 1.00 73.21 C ATOM 836 O GLY A 56 -11.224 -2.746 -33.456 1.00 71.53 O ATOM 0 H GLY A 56 -10.327 -4.859 -33.753 1.00 41.43 H new ATOM 0 HA2 GLY A 56 -13.188 -5.135 -33.361 1.00 71.05 H new ATOM 0 HA3 GLY A 56 -12.251 -5.211 -31.882 1.00 71.05 H new ATOM 840 N ARG A 57 -13.113 -2.683 -32.235 1.00 12.20 N ATOM 841 CA ARG A 57 -13.138 -1.228 -32.148 1.00 4.34 C ATOM 842 C ARG A 57 -12.168 -0.731 -31.080 1.00 5.23 C ATOM 843 O ARG A 57 -12.444 -0.824 -29.884 1.00 13.24 O ATOM 844 CB ARG A 57 -14.553 -0.738 -31.834 1.00 64.01 C ATOM 845 CG ARG A 57 -15.163 -1.388 -30.603 1.00 10.40 C ATOM 846 CD ARG A 57 -15.278 -0.401 -29.452 1.00 0.14 C ATOM 847 NE ARG A 57 -16.613 -0.404 -28.860 1.00 11.34 N ATOM 848 CZ ARG A 57 -17.078 0.575 -28.091 1.00 31.43 C ATOM 849 NH1 ARG A 57 -16.320 1.629 -27.823 1.00 30.24 N ATOM 850 NH2 ARG A 57 -18.304 0.500 -27.589 1.00 31.22 N ATOM 0 H ARG A 57 -13.886 -3.147 -31.759 1.00 12.20 H new ATOM 0 HA ARG A 57 -12.828 -0.826 -33.113 1.00 4.34 H new ATOM 0 HB2 ARG A 57 -14.531 0.342 -31.691 1.00 64.01 H new ATOM 0 HB3 ARG A 57 -15.195 -0.933 -32.693 1.00 64.01 H new ATOM 0 HG2 ARG A 57 -16.150 -1.779 -30.848 1.00 10.40 H new ATOM 0 HG3 ARG A 57 -14.551 -2.236 -30.297 1.00 10.40 H new ATOM 0 HD2 ARG A 57 -14.542 -0.649 -28.687 1.00 0.14 H new ATOM 0 HD3 ARG A 57 -15.042 0.601 -29.809 1.00 0.14 H new ATOM 0 HE ARG A 57 -17.222 -1.201 -29.047 1.00 11.34 H new ATOM 0 HH11 ARG A 57 -15.377 1.690 -28.207 1.00 30.24 H new ATOM 0 HH12 ARG A 57 -16.680 2.379 -27.232 1.00 30.24 H new ATOM 0 HH21 ARG A 57 -18.890 -0.309 -27.793 1.00 31.22 H new ATOM 0 HH22 ARG A 57 -18.660 1.252 -26.999 1.00 31.22 H new ATOM 864 N TYR A 58 -11.031 -0.204 -31.520 1.00 45.21 N ATOM 865 CA TYR A 58 -10.018 0.305 -30.602 1.00 71.04 C ATOM 866 C TYR A 58 -10.371 1.711 -30.127 1.00 42.23 C ATOM 867 O TYR A 58 -10.655 2.597 -30.933 1.00 52.31 O ATOM 868 CB TYR A 58 -8.645 0.312 -31.277 1.00 74.13 C ATOM 869 CG TYR A 58 -7.616 1.146 -30.548 1.00 55.22 C ATOM 870 CD1 TYR A 58 -7.450 1.035 -29.173 1.00 71.44 C ATOM 871 CD2 TYR A 58 -6.810 2.046 -31.235 1.00 21.52 C ATOM 872 CE1 TYR A 58 -6.512 1.795 -28.503 1.00 42.44 C ATOM 873 CE2 TYR A 58 -5.868 2.809 -30.573 1.00 41.52 C ATOM 874 CZ TYR A 58 -5.723 2.681 -29.208 1.00 10.25 C ATOM 875 OH TYR A 58 -4.786 3.440 -28.544 1.00 32.11 O ATOM 0 H TYR A 58 -10.787 -0.118 -32.507 1.00 45.21 H new ATOM 0 HA TYR A 58 -9.986 -0.355 -29.735 1.00 71.04 H new ATOM 0 HB2 TYR A 58 -8.282 -0.713 -31.353 1.00 74.13 H new ATOM 0 HB3 TYR A 58 -8.751 0.689 -32.294 1.00 74.13 H new ATOM 0 HD1 TYR A 58 -8.065 0.342 -28.619 1.00 71.44 H new ATOM 0 HD2 TYR A 58 -6.922 2.150 -32.304 1.00 21.52 H new ATOM 0 HE1 TYR A 58 -6.396 1.697 -27.434 1.00 42.44 H new ATOM 0 HE2 TYR A 58 -5.248 3.502 -31.122 1.00 41.52 H new ATOM 0 HH TYR A 58 -4.314 4.012 -29.185 1.00 32.11 H new ATOM 885 N TRP A 59 -10.349 1.907 -28.814 1.00 51.31 N ATOM 886 CA TRP A 59 -10.666 3.206 -28.230 1.00 61.30 C ATOM 887 C TRP A 59 -10.002 3.366 -26.867 1.00 34.34 C ATOM 888 O TRP A 59 -10.474 2.820 -25.869 1.00 22.12 O ATOM 889 CB TRP A 59 -12.180 3.372 -28.097 1.00 15.13 C ATOM 890 CG TRP A 59 -12.580 4.319 -27.006 1.00 52.31 C ATOM 891 CD1 TRP A 59 -12.186 5.619 -26.864 1.00 24.01 C ATOM 892 CD2 TRP A 59 -13.451 4.040 -25.905 1.00 31.53 C ATOM 893 NE1 TRP A 59 -12.759 6.164 -25.740 1.00 43.03 N ATOM 894 CE2 TRP A 59 -13.540 5.216 -25.135 1.00 31.12 C ATOM 895 CE3 TRP A 59 -14.166 2.911 -25.495 1.00 21.11 C ATOM 896 CZ2 TRP A 59 -14.314 5.292 -23.980 1.00 10.41 C ATOM 897 CZ3 TRP A 59 -14.933 2.988 -24.348 1.00 53.43 C ATOM 898 CH2 TRP A 59 -15.003 4.172 -23.602 1.00 12.30 C ATOM 0 H TRP A 59 -10.115 1.184 -28.133 1.00 51.31 H new ATOM 0 HA TRP A 59 -10.280 3.980 -28.894 1.00 61.30 H new ATOM 0 HB2 TRP A 59 -12.584 3.729 -29.044 1.00 15.13 H new ATOM 0 HB3 TRP A 59 -12.630 2.398 -27.906 1.00 15.13 H new ATOM 0 HD1 TRP A 59 -11.522 6.142 -27.536 1.00 24.01 H new ATOM 0 HE1 TRP A 59 -12.624 7.120 -25.410 1.00 43.03 H new ATOM 0 HE3 TRP A 59 -14.120 1.995 -26.065 1.00 21.11 H new ATOM 0 HZ2 TRP A 59 -14.369 6.203 -23.403 1.00 10.41 H new ATOM 0 HZ3 TRP A 59 -15.488 2.121 -24.021 1.00 53.43 H new ATOM 0 HH2 TRP A 59 -15.613 4.201 -22.711 1.00 12.30 H new ATOM 909 N ASP A 60 -8.907 4.117 -26.831 1.00 34.11 N ATOM 910 CA ASP A 60 -8.180 4.350 -25.589 1.00 20.44 C ATOM 911 C ASP A 60 -8.502 5.728 -25.020 1.00 75.01 C ATOM 912 O ASP A 60 -8.958 6.617 -25.740 1.00 42.43 O ATOM 913 CB ASP A 60 -6.674 4.220 -25.823 1.00 10.35 C ATOM 914 CG ASP A 60 -6.163 5.201 -26.859 1.00 42.41 C ATOM 915 OD1 ASP A 60 -6.655 5.162 -28.006 1.00 13.52 O ATOM 916 OD2 ASP A 60 -5.270 6.008 -26.524 1.00 24.50 O ATOM 0 H ASP A 60 -8.503 4.575 -27.648 1.00 34.11 H new ATOM 0 HA ASP A 60 -8.494 3.597 -24.866 1.00 20.44 H new ATOM 0 HB2 ASP A 60 -6.148 4.382 -24.882 1.00 10.35 H new ATOM 0 HB3 ASP A 60 -6.446 3.204 -26.145 1.00 10.35 H new ATOM 921 N LEU A 61 -8.265 5.898 -23.724 1.00 42.12 N ATOM 922 CA LEU A 61 -8.531 7.168 -23.058 1.00 2.22 C ATOM 923 C LEU A 61 -7.751 7.272 -21.751 1.00 64.43 C ATOM 924 O LEU A 61 -7.317 6.264 -21.194 1.00 13.23 O ATOM 925 CB LEU A 61 -10.028 7.319 -22.784 1.00 52.43 C ATOM 926 CG LEU A 61 -10.567 6.567 -21.567 1.00 14.30 C ATOM 927 CD1 LEU A 61 -11.121 7.542 -20.539 1.00 43.12 C ATOM 928 CD2 LEU A 61 -11.636 5.569 -21.987 1.00 72.13 C ATOM 0 H LEU A 61 -7.889 5.172 -23.114 1.00 42.12 H new ATOM 0 HA LEU A 61 -8.206 7.971 -23.719 1.00 2.22 H new ATOM 0 HB2 LEU A 61 -10.249 8.379 -22.658 1.00 52.43 H new ATOM 0 HB3 LEU A 61 -10.574 6.982 -23.665 1.00 52.43 H new ATOM 0 HG LEU A 61 -9.744 6.017 -21.110 1.00 14.30 H new ATOM 0 HD11 LEU A 61 -11.500 6.989 -19.680 1.00 43.12 H new ATOM 0 HD12 LEU A 61 -10.329 8.218 -20.215 1.00 43.12 H new ATOM 0 HD13 LEU A 61 -11.931 8.119 -20.985 1.00 43.12 H new ATOM 0 HD21 LEU A 61 -12.008 5.043 -21.108 1.00 72.13 H new ATOM 0 HD22 LEU A 61 -12.458 6.098 -22.469 1.00 72.13 H new ATOM 0 HD23 LEU A 61 -11.208 4.850 -22.686 1.00 72.13 H new ATOM 940 N GLY A 62 -7.577 8.498 -21.267 1.00 31.43 N ATOM 941 CA GLY A 62 -6.851 8.710 -20.028 1.00 71.12 C ATOM 942 C GLY A 62 -7.765 8.745 -18.819 1.00 41.23 C ATOM 943 O GLY A 62 -8.903 8.278 -18.861 1.00 32.10 O ATOM 0 H GLY A 62 -7.926 9.348 -21.710 1.00 31.43 H new ATOM 0 HA2 GLY A 62 -6.116 7.915 -19.901 1.00 71.12 H new ATOM 0 HA3 GLY A 62 -6.299 9.648 -20.090 1.00 71.12 H new ATOM 947 N PRO A 63 -7.264 9.309 -17.710 1.00 41.33 N ATOM 948 CA PRO A 63 -8.026 9.416 -16.463 1.00 14.02 C ATOM 949 C PRO A 63 -9.265 10.293 -16.613 1.00 63.15 C ATOM 950 O PRO A 63 -9.173 11.520 -16.604 1.00 74.31 O ATOM 951 CB PRO A 63 -7.031 10.058 -15.493 1.00 34.02 C ATOM 952 CG PRO A 63 -6.045 10.753 -16.367 1.00 20.24 C ATOM 953 CD PRO A 63 -5.915 9.887 -17.589 1.00 22.21 C ATOM 0 HA PRO A 63 -8.402 8.448 -16.131 1.00 14.02 H new ATOM 0 HB2 PRO A 63 -7.528 10.759 -14.822 1.00 34.02 H new ATOM 0 HB3 PRO A 63 -6.547 9.307 -14.868 1.00 34.02 H new ATOM 0 HG2 PRO A 63 -6.389 11.753 -16.629 1.00 20.24 H new ATOM 0 HG3 PRO A 63 -5.085 10.868 -15.863 1.00 20.24 H new ATOM 0 HD2 PRO A 63 -5.640 10.466 -18.470 1.00 22.21 H new ATOM 0 HD3 PRO A 63 -5.153 9.118 -17.463 1.00 22.21 H new ATOM 961 N GLY A 64 -10.423 9.655 -16.752 1.00 31.10 N ATOM 962 CA GLY A 64 -11.663 10.393 -16.902 1.00 53.23 C ATOM 963 C GLY A 64 -12.886 9.517 -16.715 1.00 10.11 C ATOM 964 O GLY A 64 -12.800 8.293 -16.806 1.00 44.12 O ATOM 0 H GLY A 64 -10.524 8.640 -16.763 1.00 31.10 H new ATOM 0 HA2 GLY A 64 -11.688 11.206 -16.177 1.00 53.23 H new ATOM 0 HA3 GLY A 64 -11.694 10.848 -17.892 1.00 53.23 H new ATOM 968 N GLU A 65 -14.027 10.145 -16.451 1.00 15.24 N ATOM 969 CA GLU A 65 -15.272 9.413 -16.247 1.00 51.23 C ATOM 970 C GLU A 65 -16.087 9.356 -17.536 1.00 43.44 C ATOM 971 O GLU A 65 -16.604 10.372 -18.002 1.00 11.12 O ATOM 972 CB GLU A 65 -16.098 10.066 -15.137 1.00 53.23 C ATOM 973 CG GLU A 65 -17.370 9.306 -14.798 1.00 4.45 C ATOM 974 CD GLU A 65 -18.606 10.182 -14.857 1.00 72.03 C ATOM 975 OE1 GLU A 65 -18.759 11.055 -13.978 1.00 21.25 O ATOM 976 OE2 GLU A 65 -19.421 9.994 -15.785 1.00 32.12 O ATOM 0 H GLU A 65 -14.115 11.158 -16.373 1.00 15.24 H new ATOM 0 HA GLU A 65 -15.020 8.395 -15.951 1.00 51.23 H new ATOM 0 HB2 GLU A 65 -15.484 10.149 -14.240 1.00 53.23 H new ATOM 0 HB3 GLU A 65 -16.360 11.080 -15.439 1.00 53.23 H new ATOM 0 HG2 GLU A 65 -17.486 8.473 -15.491 1.00 4.45 H new ATOM 0 HG3 GLU A 65 -17.279 8.880 -13.799 1.00 4.45 H new ATOM 983 N TYR A 66 -16.195 8.162 -18.108 1.00 53.53 N ATOM 984 CA TYR A 66 -16.944 7.973 -19.345 1.00 62.31 C ATOM 985 C TYR A 66 -18.369 7.514 -19.054 1.00 74.32 C ATOM 986 O TYR A 66 -18.598 6.676 -18.182 1.00 30.21 O ATOM 987 CB TYR A 66 -16.240 6.951 -20.240 1.00 50.32 C ATOM 988 CG TYR A 66 -17.157 6.296 -21.248 1.00 41.34 C ATOM 989 CD1 TYR A 66 -17.361 6.862 -22.501 1.00 60.11 C ATOM 990 CD2 TYR A 66 -17.820 5.113 -20.948 1.00 63.34 C ATOM 991 CE1 TYR A 66 -18.198 6.268 -23.425 1.00 73.54 C ATOM 992 CE2 TYR A 66 -18.658 4.511 -21.867 1.00 25.41 C ATOM 993 CZ TYR A 66 -18.844 5.092 -23.104 1.00 22.22 C ATOM 994 OH TYR A 66 -19.679 4.496 -24.021 1.00 23.20 O ATOM 0 H TYR A 66 -15.774 7.311 -17.735 1.00 53.53 H new ATOM 0 HA TYR A 66 -16.989 8.931 -19.863 1.00 62.31 H new ATOM 0 HB2 TYR A 66 -15.425 7.445 -20.770 1.00 50.32 H new ATOM 0 HB3 TYR A 66 -15.792 6.180 -19.614 1.00 50.32 H new ATOM 0 HD1 TYR A 66 -16.856 7.782 -22.756 1.00 60.11 H new ATOM 0 HD2 TYR A 66 -17.678 4.656 -19.980 1.00 63.34 H new ATOM 0 HE1 TYR A 66 -18.346 6.722 -24.394 1.00 73.54 H new ATOM 0 HE2 TYR A 66 -19.165 3.590 -21.618 1.00 25.41 H new ATOM 0 HH TYR A 66 -20.053 3.675 -23.638 1.00 23.20 H new ATOM 1004 N SER A 67 -19.325 8.069 -19.792 1.00 51.14 N ATOM 1005 CA SER A 67 -20.730 7.720 -19.613 1.00 4.42 C ATOM 1006 C SER A 67 -21.545 8.099 -20.845 1.00 52.23 C ATOM 1007 O SER A 67 -22.480 8.896 -20.764 1.00 4.40 O ATOM 1008 CB SER A 67 -21.297 8.421 -18.377 1.00 21.03 C ATOM 1009 OG SER A 67 -21.406 9.818 -18.587 1.00 41.14 O ATOM 0 H SER A 67 -19.152 8.762 -20.520 1.00 51.14 H new ATOM 0 HA SER A 67 -20.796 6.641 -19.473 1.00 4.42 H new ATOM 0 HB2 SER A 67 -22.277 8.008 -18.139 1.00 21.03 H new ATOM 0 HB3 SER A 67 -20.653 8.228 -17.519 1.00 21.03 H new ATOM 0 HG SER A 67 -21.971 9.988 -19.369 1.00 41.14 H new ATOM 1015 N SER A 68 -21.184 7.521 -21.987 1.00 13.34 N ATOM 1016 CA SER A 68 -21.879 7.800 -23.238 1.00 11.21 C ATOM 1017 C SER A 68 -23.109 6.910 -23.387 1.00 21.45 C ATOM 1018 O SER A 68 -23.363 6.038 -22.555 1.00 0.22 O ATOM 1019 CB SER A 68 -20.938 7.592 -24.426 1.00 21.22 C ATOM 1020 OG SER A 68 -19.830 8.473 -24.360 1.00 13.33 O ATOM 0 H SER A 68 -20.414 6.857 -22.071 1.00 13.34 H new ATOM 0 HA SER A 68 -22.205 8.840 -23.219 1.00 11.21 H new ATOM 0 HB2 SER A 68 -20.586 6.560 -24.439 1.00 21.22 H new ATOM 0 HB3 SER A 68 -21.481 7.755 -25.357 1.00 21.22 H new ATOM 0 HG SER A 68 -19.170 8.122 -23.727 1.00 13.33 H new ATOM 1026 N VAL A 69 -23.870 7.135 -24.453 1.00 2.31 N ATOM 1027 CA VAL A 69 -25.073 6.354 -24.713 1.00 21.32 C ATOM 1028 C VAL A 69 -25.467 6.424 -26.184 1.00 23.01 C ATOM 1029 O VAL A 69 -26.631 6.233 -26.534 1.00 44.14 O ATOM 1030 CB VAL A 69 -26.255 6.840 -23.853 1.00 24.43 C ATOM 1031 CG1 VAL A 69 -26.782 8.168 -24.372 1.00 14.32 C ATOM 1032 CG2 VAL A 69 -27.358 5.793 -23.824 1.00 70.20 C ATOM 0 H VAL A 69 -23.674 7.852 -25.151 1.00 2.31 H new ATOM 0 HA VAL A 69 -24.842 5.322 -24.450 1.00 21.32 H new ATOM 0 HB VAL A 69 -25.902 6.991 -22.833 1.00 24.43 H new ATOM 0 HG11 VAL A 69 -27.617 8.496 -23.752 1.00 14.32 H new ATOM 0 HG12 VAL A 69 -25.988 8.914 -24.335 1.00 14.32 H new ATOM 0 HG13 VAL A 69 -27.120 8.048 -25.401 1.00 14.32 H new ATOM 0 HG21 VAL A 69 -28.185 6.153 -23.212 1.00 70.20 H new ATOM 0 HG22 VAL A 69 -27.711 5.608 -24.839 1.00 70.20 H new ATOM 0 HG23 VAL A 69 -26.969 4.867 -23.401 1.00 70.20 H new ATOM 1042 N GLU A 70 -24.488 6.699 -27.041 1.00 22.35 N ATOM 1043 CA GLU A 70 -24.733 6.794 -28.475 1.00 12.33 C ATOM 1044 C GLU A 70 -23.467 7.214 -29.216 1.00 72.45 C ATOM 1045 O GLU A 70 -23.286 6.889 -30.390 1.00 30.41 O ATOM 1046 CB GLU A 70 -25.857 7.793 -28.757 1.00 13.32 C ATOM 1047 CG GLU A 70 -25.760 9.067 -27.934 1.00 51.23 C ATOM 1048 CD GLU A 70 -26.195 10.296 -28.709 1.00 3.32 C ATOM 1049 OE1 GLU A 70 -26.909 10.139 -29.721 1.00 21.32 O ATOM 1050 OE2 GLU A 70 -25.820 11.416 -28.302 1.00 14.11 O ATOM 0 H GLU A 70 -23.519 6.860 -26.767 1.00 22.35 H new ATOM 0 HA GLU A 70 -25.033 5.809 -28.833 1.00 12.33 H new ATOM 0 HB2 GLU A 70 -25.844 8.052 -29.816 1.00 13.32 H new ATOM 0 HB3 GLU A 70 -26.816 7.314 -28.558 1.00 13.32 H new ATOM 0 HG2 GLU A 70 -26.378 8.967 -27.042 1.00 51.23 H new ATOM 0 HG3 GLU A 70 -24.732 9.200 -27.596 1.00 51.23 H new ATOM 1057 N SER A 71 -22.595 7.938 -28.523 1.00 64.11 N ATOM 1058 CA SER A 71 -21.347 8.406 -29.116 1.00 74.03 C ATOM 1059 C SER A 71 -20.228 7.393 -28.897 1.00 3.10 C ATOM 1060 O SER A 71 -19.047 7.728 -28.987 1.00 61.44 O ATOM 1061 CB SER A 71 -20.951 9.758 -28.521 1.00 50.41 C ATOM 1062 OG SER A 71 -20.207 10.527 -29.451 1.00 75.32 O ATOM 0 H SER A 71 -22.729 8.214 -27.550 1.00 64.11 H new ATOM 0 HA SER A 71 -21.504 8.521 -30.189 1.00 74.03 H new ATOM 0 HB2 SER A 71 -21.846 10.305 -28.226 1.00 50.41 H new ATOM 0 HB3 SER A 71 -20.360 9.602 -27.618 1.00 50.41 H new ATOM 0 HG SER A 71 -19.967 11.387 -29.047 1.00 75.32 H new ATOM 1068 N ALA A 72 -20.608 6.153 -28.608 1.00 15.11 N ATOM 1069 CA ALA A 72 -19.638 5.090 -28.377 1.00 50.24 C ATOM 1070 C ALA A 72 -20.075 3.793 -29.049 1.00 31.32 C ATOM 1071 O ALA A 72 -19.627 2.709 -28.678 1.00 21.33 O ATOM 1072 CB ALA A 72 -19.438 4.873 -26.885 1.00 22.02 C ATOM 0 H ALA A 72 -21.582 5.860 -28.528 1.00 15.11 H new ATOM 0 HA ALA A 72 -18.689 5.395 -28.818 1.00 50.24 H new ATOM 0 HB1 ALA A 72 -18.711 4.076 -26.727 1.00 22.02 H new ATOM 0 HB2 ALA A 72 -19.072 5.793 -26.429 1.00 22.02 H new ATOM 0 HB3 ALA A 72 -20.387 4.594 -26.427 1.00 22.02 H new ATOM 1078 N GLY A 73 -20.954 3.911 -30.039 1.00 51.04 N ATOM 1079 CA GLY A 73 -21.438 2.739 -30.746 1.00 44.30 C ATOM 1080 C GLY A 73 -22.248 1.819 -29.856 1.00 33.35 C ATOM 1081 O GLY A 73 -21.927 1.639 -28.681 1.00 5.35 O ATOM 0 H GLY A 73 -21.340 4.797 -30.364 1.00 51.04 H new ATOM 0 HA2 GLY A 73 -22.051 3.055 -31.590 1.00 44.30 H new ATOM 0 HA3 GLY A 73 -20.590 2.190 -31.156 1.00 44.30 H new ATOM 1085 N ILE A 74 -23.303 1.235 -30.415 1.00 11.35 N ATOM 1086 CA ILE A 74 -24.162 0.329 -29.662 1.00 51.25 C ATOM 1087 C ILE A 74 -24.472 -0.929 -30.467 1.00 0.23 C ATOM 1088 O ILE A 74 -25.619 -1.201 -30.823 1.00 24.21 O ATOM 1089 CB ILE A 74 -25.485 1.009 -29.264 1.00 34.13 C ATOM 1090 CG1 ILE A 74 -25.218 2.411 -28.713 1.00 50.34 C ATOM 1091 CG2 ILE A 74 -26.227 0.164 -28.238 1.00 42.14 C ATOM 1092 CD1 ILE A 74 -24.417 2.414 -27.430 1.00 53.31 C ATOM 0 H ILE A 74 -23.583 1.373 -31.386 1.00 11.35 H new ATOM 0 HA ILE A 74 -23.618 0.055 -28.758 1.00 51.25 H new ATOM 0 HB ILE A 74 -26.110 1.101 -30.152 1.00 34.13 H new ATOM 0 HG12 ILE A 74 -24.686 2.993 -29.465 1.00 50.34 H new ATOM 0 HG13 ILE A 74 -26.171 2.911 -28.538 1.00 50.34 H new ATOM 0 HG21 ILE A 74 -27.160 0.658 -27.966 1.00 42.14 H new ATOM 0 HG22 ILE A 74 -26.445 -0.816 -28.663 1.00 42.14 H new ATOM 0 HG23 ILE A 74 -25.608 0.044 -27.349 1.00 42.14 H new ATOM 0 HD11 ILE A 74 -24.266 3.441 -27.098 1.00 53.31 H new ATOM 0 HD12 ILE A 74 -24.957 1.860 -26.662 1.00 53.31 H new ATOM 0 HD13 ILE A 74 -23.450 1.943 -27.604 1.00 53.31 H new ATOM 1104 N PRO A 75 -23.427 -1.717 -30.759 1.00 45.41 N ATOM 1105 CA PRO A 75 -23.562 -2.961 -31.522 1.00 41.34 C ATOM 1106 C PRO A 75 -23.843 -4.163 -30.627 1.00 3.40 C ATOM 1107 O PRO A 75 -24.882 -4.810 -30.749 1.00 75.44 O ATOM 1108 CB PRO A 75 -22.199 -3.109 -32.204 1.00 54.42 C ATOM 1109 CG PRO A 75 -21.559 -1.771 -32.066 1.00 13.53 C ATOM 1110 CD PRO A 75 -22.032 -1.454 -30.367 1.00 2.34 C ATOM 0 HA PRO A 75 -24.400 -2.923 -32.218 1.00 41.34 H new ATOM 0 HB2 PRO A 75 -21.600 -3.885 -31.728 1.00 54.42 H new ATOM 0 HB3 PRO A 75 -22.309 -3.389 -33.252 1.00 54.42 H new ATOM 0 HG2 PRO A 75 -20.479 -1.798 -32.210 1.00 13.53 H new ATOM 0 HG3 PRO A 75 -21.956 -1.034 -32.764 1.00 13.53 H new ATOM 0 HD2 PRO A 75 -21.617 -2.143 -29.631 1.00 2.34 H new ATOM 0 HD3 PRO A 75 -21.831 -0.445 -30.008 1.00 2.34 H new ATOM 1118 N ASP A 76 -22.910 -4.455 -29.727 1.00 52.32 N ATOM 1119 CA ASP A 76 -23.058 -5.578 -28.810 1.00 34.45 C ATOM 1120 C ASP A 76 -21.856 -5.680 -27.876 1.00 62.25 C ATOM 1121 O ASP A 76 -20.712 -5.728 -28.326 1.00 4.32 O ATOM 1122 CB ASP A 76 -23.226 -6.883 -29.590 1.00 21.00 C ATOM 1123 CG ASP A 76 -24.512 -7.606 -29.240 1.00 41.33 C ATOM 1124 OD1 ASP A 76 -25.593 -6.999 -29.392 1.00 22.32 O ATOM 1125 OD2 ASP A 76 -24.437 -8.778 -28.814 1.00 55.53 O ATOM 0 H ASP A 76 -22.043 -3.929 -29.613 1.00 52.32 H new ATOM 0 HA ASP A 76 -23.950 -5.407 -28.207 1.00 34.45 H new ATOM 0 HB2 ASP A 76 -23.213 -6.668 -30.659 1.00 21.00 H new ATOM 0 HB3 ASP A 76 -22.378 -7.537 -29.386 1.00 21.00 H new ATOM 1130 N ASN A 77 -22.124 -5.712 -26.575 1.00 70.21 N ATOM 1131 CA ASN A 77 -21.064 -5.807 -25.578 1.00 43.43 C ATOM 1132 C ASN A 77 -20.554 -7.240 -25.460 1.00 41.34 C ATOM 1133 O ASN A 77 -20.595 -7.838 -24.385 1.00 50.42 O ATOM 1134 CB ASN A 77 -21.569 -5.320 -24.219 1.00 4.54 C ATOM 1135 CG ASN A 77 -20.478 -4.653 -23.402 1.00 14.11 C ATOM 1136 OD1 ASN A 77 -19.600 -5.460 -22.818 1.00 23.30 O flip ATOM 1137 ND2 ASN A 77 -20.427 -3.427 -23.298 1.00 0.42 N flip ATOM 0 H ASN A 77 -23.066 -5.674 -26.186 1.00 70.21 H new ATOM 0 HA ASN A 77 -20.239 -5.172 -25.900 1.00 43.43 H new ATOM 0 HB2 ASN A 77 -22.388 -4.617 -24.369 1.00 4.54 H new ATOM 0 HB3 ASN A 77 -21.973 -6.164 -23.660 1.00 4.54 H new ATOM 0 HD21 ASN A 77 -21.124 -2.846 -23.765 1.00 0.42 H new ATOM 0 HD22 ASN A 77 -19.688 -2.992 -22.745 1.00 0.42 H new ATOM 1144 N SER A 78 -20.073 -7.784 -26.573 1.00 60.44 N ATOM 1145 CA SER A 78 -19.558 -9.148 -26.596 1.00 62.42 C ATOM 1146 C SER A 78 -18.043 -9.154 -26.774 1.00 5.14 C ATOM 1147 O SER A 78 -17.484 -8.295 -27.457 1.00 63.51 O ATOM 1148 CB SER A 78 -20.217 -9.946 -27.723 1.00 35.45 C ATOM 1149 OG SER A 78 -19.690 -11.260 -27.793 1.00 52.14 O ATOM 0 H SER A 78 -20.029 -7.301 -27.470 1.00 60.44 H new ATOM 0 HA SER A 78 -19.797 -9.616 -25.641 1.00 62.42 H new ATOM 0 HB2 SER A 78 -21.294 -9.991 -27.560 1.00 35.45 H new ATOM 0 HB3 SER A 78 -20.060 -9.437 -28.674 1.00 35.45 H new ATOM 0 HG SER A 78 -20.128 -11.750 -28.520 1.00 52.14 H new ATOM 1155 N ILE A 79 -17.384 -10.127 -26.153 1.00 72.12 N ATOM 1156 CA ILE A 79 -15.934 -10.246 -26.243 1.00 12.41 C ATOM 1157 C ILE A 79 -15.254 -8.915 -25.938 1.00 21.41 C ATOM 1158 O ILE A 79 -14.292 -8.532 -26.603 1.00 5.24 O ATOM 1159 CB ILE A 79 -15.494 -10.726 -27.638 1.00 61.52 C ATOM 1160 CG1 ILE A 79 -16.425 -11.834 -28.137 1.00 44.32 C ATOM 1161 CG2 ILE A 79 -14.054 -11.215 -27.600 1.00 24.01 C ATOM 1162 CD1 ILE A 79 -16.055 -12.362 -29.505 1.00 73.55 C ATOM 0 H ILE A 79 -17.831 -10.844 -25.582 1.00 72.12 H new ATOM 0 HA ILE A 79 -15.631 -10.985 -25.501 1.00 12.41 H new ATOM 0 HB ILE A 79 -15.554 -9.887 -28.331 1.00 61.52 H new ATOM 0 HG12 ILE A 79 -16.412 -12.657 -27.423 1.00 44.32 H new ATOM 0 HG13 ILE A 79 -17.446 -11.454 -28.167 1.00 44.32 H new ATOM 0 HG21 ILE A 79 -13.758 -11.551 -28.594 1.00 24.01 H new ATOM 0 HG22 ILE A 79 -13.402 -10.401 -27.282 1.00 24.01 H new ATOM 0 HG23 ILE A 79 -13.969 -12.043 -26.897 1.00 24.01 H new ATOM 0 HD11 ILE A 79 -16.757 -13.144 -29.795 1.00 73.55 H new ATOM 0 HD12 ILE A 79 -16.095 -11.550 -30.231 1.00 73.55 H new ATOM 0 HD13 ILE A 79 -15.046 -12.773 -29.476 1.00 73.55 H new ATOM 1174 N SER A 80 -15.760 -8.216 -24.927 1.00 21.31 N ATOM 1175 CA SER A 80 -15.202 -6.927 -24.534 1.00 75.32 C ATOM 1176 C SER A 80 -13.984 -7.114 -23.636 1.00 4.43 C ATOM 1177 O SER A 80 -13.931 -8.040 -22.827 1.00 65.10 O ATOM 1178 CB SER A 80 -16.259 -6.090 -23.812 1.00 14.51 C ATOM 1179 OG SER A 80 -17.518 -6.192 -24.455 1.00 50.41 O ATOM 0 H SER A 80 -16.555 -8.520 -24.365 1.00 21.31 H new ATOM 0 HA SER A 80 -14.888 -6.403 -25.437 1.00 75.32 H new ATOM 0 HB2 SER A 80 -16.347 -6.423 -22.778 1.00 14.51 H new ATOM 0 HB3 SER A 80 -15.945 -5.047 -23.785 1.00 14.51 H new ATOM 0 HG SER A 80 -18.226 -5.923 -23.833 1.00 50.41 H new ATOM 1185 N SER A 81 -13.006 -6.226 -23.784 1.00 43.41 N ATOM 1186 CA SER A 81 -11.785 -6.293 -22.990 1.00 22.14 C ATOM 1187 C SER A 81 -11.068 -4.947 -22.980 1.00 44.42 C ATOM 1188 O SER A 81 -11.039 -4.239 -23.987 1.00 44.41 O ATOM 1189 CB SER A 81 -10.854 -7.376 -23.538 1.00 25.01 C ATOM 1190 OG SER A 81 -10.562 -8.347 -22.548 1.00 4.23 O ATOM 0 H SER A 81 -13.036 -5.451 -24.447 1.00 43.41 H new ATOM 0 HA SER A 81 -12.061 -6.545 -21.966 1.00 22.14 H new ATOM 0 HB2 SER A 81 -11.318 -7.858 -24.398 1.00 25.01 H new ATOM 0 HB3 SER A 81 -9.928 -6.920 -23.889 1.00 25.01 H new ATOM 0 HG SER A 81 -9.967 -9.029 -22.924 1.00 4.23 H new ATOM 1196 N PHE A 82 -10.490 -4.599 -21.835 1.00 64.22 N ATOM 1197 CA PHE A 82 -9.773 -3.337 -21.693 1.00 23.33 C ATOM 1198 C PHE A 82 -8.614 -3.478 -20.710 1.00 63.22 C ATOM 1199 O PHE A 82 -8.793 -3.944 -19.585 1.00 11.12 O ATOM 1200 CB PHE A 82 -10.725 -2.236 -21.221 1.00 44.04 C ATOM 1201 CG PHE A 82 -11.265 -2.462 -19.838 1.00 71.24 C ATOM 1202 CD1 PHE A 82 -12.185 -3.470 -19.596 1.00 44.00 C ATOM 1203 CD2 PHE A 82 -10.853 -1.667 -18.781 1.00 35.42 C ATOM 1204 CE1 PHE A 82 -12.684 -3.680 -18.325 1.00 11.45 C ATOM 1205 CE2 PHE A 82 -11.349 -1.873 -17.507 1.00 12.41 C ATOM 1206 CZ PHE A 82 -12.265 -2.881 -17.278 1.00 50.25 C ATOM 0 H PHE A 82 -10.504 -5.173 -20.992 1.00 64.22 H new ATOM 0 HA PHE A 82 -9.369 -3.065 -22.668 1.00 23.33 H new ATOM 0 HB2 PHE A 82 -10.203 -1.280 -21.247 1.00 44.04 H new ATOM 0 HB3 PHE A 82 -11.558 -2.163 -21.920 1.00 44.04 H new ATOM 0 HD1 PHE A 82 -12.515 -4.098 -20.410 1.00 44.00 H new ATOM 0 HD2 PHE A 82 -10.136 -0.878 -18.954 1.00 35.42 H new ATOM 0 HE1 PHE A 82 -13.401 -4.468 -18.150 1.00 11.45 H new ATOM 0 HE2 PHE A 82 -11.020 -1.246 -16.691 1.00 12.41 H new ATOM 0 HZ PHE A 82 -12.653 -3.044 -16.283 1.00 50.25 H new ATOM 1216 N ARG A 83 -7.425 -3.073 -21.145 1.00 1.02 N ATOM 1217 CA ARG A 83 -6.236 -3.155 -20.305 1.00 62.32 C ATOM 1218 C ARG A 83 -5.866 -1.783 -19.750 1.00 40.14 C ATOM 1219 O ARG A 83 -5.616 -0.845 -20.506 1.00 52.45 O ATOM 1220 CB ARG A 83 -5.062 -3.729 -21.101 1.00 51.44 C ATOM 1221 CG ARG A 83 -5.318 -5.125 -21.643 1.00 70.52 C ATOM 1222 CD ARG A 83 -5.250 -6.171 -20.541 1.00 73.43 C ATOM 1223 NE ARG A 83 -6.485 -6.945 -20.445 1.00 20.34 N ATOM 1224 CZ ARG A 83 -6.822 -7.902 -21.303 1.00 1.24 C ATOM 1225 NH1 ARG A 83 -6.020 -8.201 -22.316 1.00 13.25 N ATOM 1226 NH2 ARG A 83 -7.963 -8.562 -21.148 1.00 5.10 N ATOM 0 H ARG A 83 -7.260 -2.685 -22.074 1.00 1.02 H new ATOM 0 HA ARG A 83 -6.458 -3.818 -19.469 1.00 62.32 H new ATOM 0 HB2 ARG A 83 -4.837 -3.061 -21.933 1.00 51.44 H new ATOM 0 HB3 ARG A 83 -4.179 -3.753 -20.463 1.00 51.44 H new ATOM 0 HG2 ARG A 83 -6.299 -5.158 -22.118 1.00 70.52 H new ATOM 0 HG3 ARG A 83 -4.583 -5.358 -22.413 1.00 70.52 H new ATOM 0 HD2 ARG A 83 -4.414 -6.844 -20.731 1.00 73.43 H new ATOM 0 HD3 ARG A 83 -5.054 -5.681 -19.587 1.00 73.43 H new ATOM 0 HE ARG A 83 -7.124 -6.740 -19.677 1.00 20.34 H new ATOM 0 HH11 ARG A 83 -5.142 -7.696 -22.438 1.00 13.25 H new ATOM 0 HH12 ARG A 83 -6.281 -8.936 -22.973 1.00 13.25 H new ATOM 0 HH21 ARG A 83 -8.582 -8.335 -20.370 1.00 5.10 H new ATOM 0 HH22 ARG A 83 -8.221 -9.296 -21.807 1.00 5.10 H new ATOM 1240 N GLN A 84 -5.834 -1.675 -18.426 1.00 41.31 N ATOM 1241 CA GLN A 84 -5.496 -0.417 -17.771 1.00 1.22 C ATOM 1242 C GLN A 84 -3.993 -0.314 -17.531 1.00 72.34 C ATOM 1243 O GLN A 84 -3.409 -1.140 -16.829 1.00 71.44 O ATOM 1244 CB GLN A 84 -6.246 -0.291 -16.443 1.00 65.24 C ATOM 1245 CG GLN A 84 -7.743 -0.521 -16.566 1.00 72.04 C ATOM 1246 CD GLN A 84 -8.175 -1.864 -16.010 1.00 53.54 C ATOM 1247 OE1 GLN A 84 -8.210 -2.064 -14.796 1.00 4.51 O ATOM 1248 NE2 GLN A 84 -8.508 -2.793 -16.899 1.00 13.15 N ATOM 0 H GLN A 84 -6.038 -2.443 -17.786 1.00 41.31 H new ATOM 0 HA GLN A 84 -5.797 0.398 -18.429 1.00 1.22 H new ATOM 0 HB2 GLN A 84 -5.834 -1.008 -15.733 1.00 65.24 H new ATOM 0 HB3 GLN A 84 -6.072 0.703 -16.030 1.00 65.24 H new ATOM 0 HG2 GLN A 84 -8.273 0.273 -16.040 1.00 72.04 H new ATOM 0 HG3 GLN A 84 -8.032 -0.457 -17.615 1.00 72.04 H new ATOM 0 HE21 GLN A 84 -8.464 -2.584 -17.896 1.00 13.15 H new ATOM 0 HE22 GLN A 84 -8.808 -3.716 -16.584 1.00 13.15 H new ATOM 1257 N ILE A 85 -3.373 0.704 -18.119 1.00 75.51 N ATOM 1258 CA ILE A 85 -1.939 0.914 -17.969 1.00 20.33 C ATOM 1259 C ILE A 85 -1.643 1.902 -16.845 1.00 61.44 C ATOM 1260 O ILE A 85 -1.756 3.108 -17.059 1.00 22.33 O ATOM 1261 CB ILE A 85 -1.306 1.432 -19.273 1.00 51.34 C ATOM 1262 CG1 ILE A 85 -1.858 0.662 -20.475 1.00 0.31 C ATOM 1263 CG2 ILE A 85 0.209 1.312 -19.211 1.00 43.42 C ATOM 1264 CD1 ILE A 85 -1.662 -0.834 -20.375 1.00 62.33 C ATOM 0 H ILE A 85 -3.842 1.396 -18.704 1.00 75.51 H new ATOM 0 HA ILE A 85 -1.502 -0.054 -17.723 1.00 20.33 H new ATOM 0 HB ILE A 85 -1.563 2.485 -19.391 1.00 51.34 H new ATOM 0 HG12 ILE A 85 -2.922 0.875 -20.575 1.00 0.31 H new ATOM 0 HG13 ILE A 85 -1.374 1.024 -21.382 1.00 0.31 H new ATOM 0 HG21 ILE A 85 0.642 1.682 -20.140 1.00 43.42 H new ATOM 0 HG22 ILE A 85 0.587 1.901 -18.375 1.00 43.42 H new ATOM 0 HG23 ILE A 85 0.486 0.267 -19.073 1.00 43.42 H new ATOM 0 HD11 ILE A 85 -2.077 -1.315 -21.261 1.00 62.33 H new ATOM 0 HD12 ILE A 85 -0.597 -1.058 -20.306 1.00 62.33 H new ATOM 0 HD13 ILE A 85 -2.170 -1.209 -19.487 1.00 62.33 H new