USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 641 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 Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 8 TYR OH : rot 48:sc= 1.21 USER MOD Single : A 12 THR OG1 : rot 70:sc= 0.0708 USER MOD Single : A 13 ASN : amide:sc= 0.478 K(o=0.48,f=-5.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0389 (180deg=-0.302) USER MOD Single : A 30 SER OG : rot 65:sc= 1.2 USER MOD Single : A 37 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.67) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.201 F(o=-1.7!,f=-0.2) USER MOD Single : A 44 HIS :FLIP no HD1:sc= 0.0243 F(o=-1.5,f=0.024) USER MOD Single : A 45 SER OG : rot 22:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.46 (180deg=-1.26) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.26) USER MOD Single : A 56 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 59 TYR OH : rot 152:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.406 K(o=0.41,f=-2.4) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -5.26! C(o=-5.3!,f=-10!) USER MOD Single : A 73 THR OG1 : rot 38:sc= 0.669 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -7:sc= -0.719 USER MOD Single : A 85 SER OG : rot 3:sc= 0.744 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.502 12.811 8.874 1.00 0.00 N ATOM 58 CA GLU A 5 -21.744 11.359 8.831 1.00 0.00 C ATOM 59 C GLU A 5 -22.367 10.951 7.482 1.00 0.00 C ATOM 60 O GLU A 5 -22.207 11.661 6.491 1.00 0.00 O ATOM 61 CB GLU A 5 -22.588 11.019 10.069 1.00 0.00 C ATOM 62 CG GLU A 5 -23.979 11.663 10.109 1.00 0.00 C ATOM 63 CD GLU A 5 -24.357 12.038 11.543 1.00 0.00 C ATOM 64 OE1 GLU A 5 -24.733 11.114 12.296 1.00 0.00 O ATOM 65 OE2 GLU A 5 -24.278 13.252 11.835 1.00 0.00 O ATOM 0 HA GLU A 5 -20.824 10.776 8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.705 9.937 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -22.038 11.325 10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.992 12.552 9.479 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -24.717 10.973 9.701 1.00 0.00 H new ATOM 72 N ALA A 6 -23.006 9.786 7.448 1.00 0.00 N ATOM 73 CA ALA A 6 -23.763 9.321 6.272 1.00 0.00 C ATOM 74 C ALA A 6 -25.226 9.023 6.670 1.00 0.00 C ATOM 75 O ALA A 6 -25.730 9.600 7.632 1.00 0.00 O ATOM 76 CB ALA A 6 -23.011 8.133 5.659 1.00 0.00 C ATOM 0 H ALA A 6 -23.019 9.132 8.230 1.00 0.00 H new ATOM 0 HA ALA A 6 -23.830 10.088 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -23.553 7.771 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -22.012 8.450 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -22.933 7.333 6.395 1.00 0.00 H new ATOM 82 N GLN A 7 -25.882 8.120 5.938 1.00 0.00 N ATOM 83 CA GLN A 7 -27.307 7.766 6.134 1.00 0.00 C ATOM 84 C GLN A 7 -27.630 6.399 5.500 1.00 0.00 C ATOM 85 O GLN A 7 -28.228 5.536 6.136 1.00 0.00 O ATOM 86 CB GLN A 7 -28.172 8.871 5.511 1.00 0.00 C ATOM 87 CG GLN A 7 -29.631 8.834 5.975 1.00 0.00 C ATOM 88 CD GLN A 7 -30.447 9.974 5.357 1.00 0.00 C ATOM 89 OE1 GLN A 7 -30.361 10.301 4.182 1.00 0.00 O ATOM 90 NE2 GLN A 7 -31.312 10.573 6.146 1.00 0.00 N ATOM 0 H GLN A 7 -25.440 7.601 5.179 1.00 0.00 H new ATOM 0 HA GLN A 7 -27.519 7.686 7.200 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -27.744 9.842 5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -28.141 8.778 4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -30.076 7.877 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -29.670 8.905 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -31.383 10.299 7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -31.912 11.311 5.778 1.00 0.00 H new ATOM 99 N TYR A 8 -27.140 6.213 4.274 1.00 0.00 N ATOM 100 CA TYR A 8 -27.193 4.971 3.468 1.00 0.00 C ATOM 101 C TYR A 8 -26.436 3.731 4.010 1.00 0.00 C ATOM 102 O TYR A 8 -25.817 2.961 3.269 1.00 0.00 O ATOM 103 CB TYR A 8 -26.755 5.320 2.033 1.00 0.00 C ATOM 104 CG TYR A 8 -25.421 6.081 1.963 1.00 0.00 C ATOM 105 CD1 TYR A 8 -24.213 5.416 2.144 1.00 0.00 C ATOM 106 CD2 TYR A 8 -25.432 7.466 1.859 1.00 0.00 C ATOM 107 CE1 TYR A 8 -23.027 6.132 2.251 1.00 0.00 C ATOM 108 CE2 TYR A 8 -24.246 8.183 1.957 1.00 0.00 C ATOM 109 CZ TYR A 8 -23.043 7.517 2.151 1.00 0.00 C ATOM 110 OH TYR A 8 -21.922 8.230 2.429 1.00 0.00 O ATOM 0 H TYR A 8 -26.664 6.966 3.777 1.00 0.00 H new ATOM 0 HA TYR A 8 -28.228 4.632 3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.669 4.400 1.455 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -27.532 5.922 1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.197 4.338 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -26.365 7.987 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -22.094 5.612 2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -24.260 9.260 1.882 1.00 0.00 H new ATOM 0 HH TYR A 8 -21.157 7.831 1.965 1.00 0.00 H new ATOM 120 N VAL A 9 -26.520 3.511 5.319 1.00 0.00 N ATOM 121 CA VAL A 9 -25.865 2.368 5.984 1.00 0.00 C ATOM 122 C VAL A 9 -26.677 1.064 5.842 1.00 0.00 C ATOM 123 O VAL A 9 -27.616 0.794 6.588 1.00 0.00 O ATOM 124 CB VAL A 9 -25.440 2.733 7.425 1.00 0.00 C ATOM 125 CG1 VAL A 9 -26.595 3.113 8.362 1.00 0.00 C ATOM 126 CG2 VAL A 9 -24.534 1.659 8.036 1.00 0.00 C ATOM 0 H VAL A 9 -27.041 4.114 5.956 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.934 2.147 5.463 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.860 3.650 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.199 3.353 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.119 3.981 7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -27.289 2.276 8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.256 1.951 9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -25.066 0.708 8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.635 1.553 7.429 1.00 0.00 H new ATOM 136 N ALA A 10 -26.380 0.358 4.755 1.00 0.00 N ATOM 137 CA ALA A 10 -26.936 -0.989 4.509 1.00 0.00 C ATOM 138 C ALA A 10 -25.854 -2.085 4.656 1.00 0.00 C ATOM 139 O ALA A 10 -25.131 -2.374 3.698 1.00 0.00 O ATOM 140 CB ALA A 10 -27.606 -1.012 3.129 1.00 0.00 C ATOM 0 H ALA A 10 -25.755 0.690 4.021 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.691 -1.211 5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.018 -2.003 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.408 -0.274 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.868 -0.775 2.362 1.00 0.00 H new ATOM 146 N PRO A 11 -25.645 -2.587 5.885 1.00 0.00 N ATOM 147 CA PRO A 11 -24.629 -3.619 6.180 1.00 0.00 C ATOM 148 C PRO A 11 -24.990 -4.997 5.606 1.00 0.00 C ATOM 149 O PRO A 11 -26.095 -5.212 5.114 1.00 0.00 O ATOM 150 CB PRO A 11 -24.522 -3.636 7.706 1.00 0.00 C ATOM 151 CG PRO A 11 -25.931 -3.257 8.160 1.00 0.00 C ATOM 152 CD PRO A 11 -26.373 -2.225 7.120 1.00 0.00 C ATOM 0 HA PRO A 11 -23.676 -3.384 5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.230 -4.618 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.778 -2.925 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.594 -4.122 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.930 -2.838 9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.452 -2.258 6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.127 -1.212 7.440 1.00 0.00 H new ATOM 160 N THR A 12 -23.962 -5.830 5.498 1.00 0.00 N ATOM 161 CA THR A 12 -24.120 -7.225 5.025 1.00 0.00 C ATOM 162 C THR A 12 -23.768 -8.225 6.142 1.00 0.00 C ATOM 163 O THR A 12 -24.643 -8.744 6.827 1.00 0.00 O ATOM 164 CB THR A 12 -23.262 -7.517 3.779 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.064 -6.337 2.997 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.906 -8.610 2.922 1.00 0.00 C ATOM 0 H THR A 12 -23.002 -5.575 5.729 1.00 0.00 H new ATOM 0 HA THR A 12 -25.167 -7.346 4.748 1.00 0.00 H new ATOM 0 HB THR A 12 -22.289 -7.866 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.469 -5.723 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.284 -8.800 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.998 -9.525 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.895 -8.284 2.600 1.00 0.00 H new ATOM 174 N ASN A 13 -22.467 -8.420 6.346 1.00 0.00 N ATOM 175 CA ASN A 13 -21.900 -9.419 7.276 1.00 0.00 C ATOM 176 C ASN A 13 -21.144 -8.769 8.453 1.00 0.00 C ATOM 177 O ASN A 13 -21.042 -7.543 8.531 1.00 0.00 O ATOM 178 CB ASN A 13 -20.979 -10.343 6.457 1.00 0.00 C ATOM 179 CG ASN A 13 -19.874 -9.585 5.708 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.135 -8.777 6.257 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.854 -9.738 4.404 1.00 0.00 N ATOM 0 H ASN A 13 -21.752 -7.878 5.861 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.708 -9.990 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.522 -11.074 7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.580 -10.900 5.738 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.217 -9.180 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.475 -10.415 3.960 1.00 0.00 H new ATOM 188 N ALA A 14 -20.500 -9.623 9.252 1.00 0.00 N ATOM 189 CA ALA A 14 -19.640 -9.225 10.388 1.00 0.00 C ATOM 190 C ALA A 14 -18.624 -8.129 10.023 1.00 0.00 C ATOM 191 O ALA A 14 -18.856 -6.987 10.405 1.00 0.00 O ATOM 192 CB ALA A 14 -18.938 -10.460 10.964 1.00 0.00 C ATOM 0 H ALA A 14 -20.558 -10.634 9.131 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.288 -8.788 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.306 -10.162 11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.685 -11.175 11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.324 -10.923 10.192 1.00 0.00 H new ATOM 198 N VAL A 15 -17.754 -8.404 9.047 1.00 0.00 N ATOM 199 CA VAL A 15 -16.703 -7.470 8.565 1.00 0.00 C ATOM 200 C VAL A 15 -17.312 -6.106 8.181 1.00 0.00 C ATOM 201 O VAL A 15 -16.995 -5.092 8.802 1.00 0.00 O ATOM 202 CB VAL A 15 -15.926 -8.099 7.383 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.828 -7.176 6.835 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.273 -9.427 7.781 1.00 0.00 C ATOM 0 H VAL A 15 -17.751 -9.296 8.553 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.996 -7.293 9.376 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.672 -8.263 6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.317 -7.669 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.276 -6.247 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.110 -6.955 7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.737 -9.839 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.575 -9.258 8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.043 -10.130 8.100 1.00 0.00 H new ATOM 214 N GLU A 16 -18.356 -6.167 7.355 1.00 0.00 N ATOM 215 CA GLU A 16 -19.146 -5.001 6.910 1.00 0.00 C ATOM 216 C GLU A 16 -19.637 -4.116 8.074 1.00 0.00 C ATOM 217 O GLU A 16 -19.172 -2.985 8.218 1.00 0.00 O ATOM 218 CB GLU A 16 -20.326 -5.504 6.069 1.00 0.00 C ATOM 219 CG GLU A 16 -19.919 -5.857 4.632 1.00 0.00 C ATOM 220 CD GLU A 16 -20.026 -4.648 3.696 1.00 0.00 C ATOM 221 OE1 GLU A 16 -21.081 -3.981 3.763 1.00 0.00 O ATOM 222 OE2 GLU A 16 -19.064 -4.430 2.928 1.00 0.00 O ATOM 0 H GLU A 16 -18.691 -7.047 6.962 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.496 -4.362 6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.759 -6.383 6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.102 -4.739 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.895 -6.232 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.555 -6.661 4.261 1.00 0.00 H new ATOM 229 N SER A 17 -20.421 -4.711 8.974 1.00 0.00 N ATOM 230 CA SER A 17 -21.021 -4.008 10.131 1.00 0.00 C ATOM 231 C SER A 17 -19.994 -3.578 11.196 1.00 0.00 C ATOM 232 O SER A 17 -19.903 -2.396 11.528 1.00 0.00 O ATOM 233 CB SER A 17 -22.109 -4.882 10.767 1.00 0.00 C ATOM 234 OG SER A 17 -22.807 -4.136 11.766 1.00 0.00 O ATOM 0 H SER A 17 -20.665 -5.700 8.929 1.00 0.00 H new ATOM 0 HA SER A 17 -21.456 -3.088 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.806 -5.224 10.002 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.661 -5.771 11.211 1.00 0.00 H new ATOM 0 HG SER A 17 -23.502 -4.698 12.168 1.00 0.00 H new ATOM 240 N LYS A 18 -19.089 -4.498 11.536 1.00 0.00 N ATOM 241 CA LYS A 18 -18.008 -4.310 12.526 1.00 0.00 C ATOM 242 C LYS A 18 -17.115 -3.118 12.146 1.00 0.00 C ATOM 243 O LYS A 18 -17.044 -2.132 12.880 1.00 0.00 O ATOM 244 CB LYS A 18 -17.186 -5.608 12.574 1.00 0.00 C ATOM 245 CG LYS A 18 -16.128 -5.692 13.678 1.00 0.00 C ATOM 246 CD LYS A 18 -16.756 -5.820 15.068 1.00 0.00 C ATOM 247 CE LYS A 18 -15.714 -6.201 16.125 1.00 0.00 C ATOM 248 NZ LYS A 18 -15.199 -7.564 15.914 1.00 0.00 N ATOM 0 H LYS A 18 -19.082 -5.429 11.120 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.433 -4.093 13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.873 -6.446 12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.690 -5.736 11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.479 -6.548 13.493 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.499 -4.802 13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.226 -4.876 15.344 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.543 -6.573 15.044 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.888 -5.491 16.094 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.159 -6.129 17.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.730 -7.896 16.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.988 -8.201 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.515 -7.559 15.130 1.00 0.00 H new ATOM 262 N LEU A 19 -16.609 -3.149 10.913 1.00 0.00 N ATOM 263 CA LEU A 19 -15.798 -2.051 10.362 1.00 0.00 C ATOM 264 C LEU A 19 -16.576 -0.738 10.213 1.00 0.00 C ATOM 265 O LEU A 19 -16.064 0.294 10.632 1.00 0.00 O ATOM 266 CB LEU A 19 -15.137 -2.455 9.038 1.00 0.00 C ATOM 267 CG LEU A 19 -13.798 -3.211 9.119 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.723 -2.358 9.793 1.00 0.00 C ATOM 269 CD2 LEU A 19 -13.910 -4.585 9.787 1.00 0.00 C ATOM 0 H LEU A 19 -16.745 -3.928 10.268 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.014 -1.860 11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.842 -3.076 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.979 -1.551 8.450 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.498 -3.401 8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.789 -2.918 9.836 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.572 -1.443 9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.041 -2.104 10.804 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.929 -5.060 9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.278 -4.465 10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.602 -5.209 9.222 1.00 0.00 H new ATOM 281 N ALA A 20 -17.845 -0.802 9.802 1.00 0.00 N ATOM 282 CA ALA A 20 -18.735 0.381 9.766 1.00 0.00 C ATOM 283 C ALA A 20 -18.889 1.055 11.145 1.00 0.00 C ATOM 284 O ALA A 20 -18.748 2.273 11.257 1.00 0.00 O ATOM 285 CB ALA A 20 -20.110 -0.001 9.207 1.00 0.00 C ATOM 0 H ALA A 20 -18.290 -1.664 9.486 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.263 1.109 9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.752 0.880 9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.996 -0.390 8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.561 -0.765 9.841 1.00 0.00 H new ATOM 291 N GLU A 21 -19.041 0.234 12.188 1.00 0.00 N ATOM 292 CA GLU A 21 -19.031 0.665 13.604 1.00 0.00 C ATOM 293 C GLU A 21 -17.695 1.341 13.979 1.00 0.00 C ATOM 294 O GLU A 21 -17.691 2.492 14.419 1.00 0.00 O ATOM 295 CB GLU A 21 -19.310 -0.559 14.486 1.00 0.00 C ATOM 296 CG GLU A 21 -19.428 -0.230 15.978 1.00 0.00 C ATOM 297 CD GLU A 21 -19.541 -1.509 16.808 1.00 0.00 C ATOM 298 OE1 GLU A 21 -18.470 -2.038 17.177 1.00 0.00 O ATOM 299 OE2 GLU A 21 -20.690 -1.931 17.055 1.00 0.00 O ATOM 0 H GLU A 21 -19.178 -0.771 12.078 1.00 0.00 H new ATOM 0 HA GLU A 21 -19.808 1.412 13.763 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.234 -1.032 14.153 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.511 -1.287 14.346 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.557 0.342 16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.302 0.398 16.149 1.00 0.00 H new ATOM 306 N ILE A 22 -16.588 0.674 13.648 1.00 0.00 N ATOM 307 CA ILE A 22 -15.214 1.198 13.833 1.00 0.00 C ATOM 308 C ILE A 22 -15.057 2.571 13.141 1.00 0.00 C ATOM 309 O ILE A 22 -14.835 3.570 13.821 1.00 0.00 O ATOM 310 CB ILE A 22 -14.188 0.143 13.357 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.290 -1.110 14.246 1.00 0.00 C ATOM 312 CG2 ILE A 22 -12.746 0.683 13.360 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.664 -2.374 13.642 1.00 0.00 C ATOM 0 H ILE A 22 -16.610 -0.259 13.237 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.019 1.375 14.891 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.429 -0.112 12.325 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.807 -0.902 15.201 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.341 -1.306 14.456 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.065 -0.096 13.018 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.678 1.543 12.693 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.473 0.985 14.371 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.782 -3.206 14.336 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.161 -2.613 12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.603 -2.203 13.458 1.00 0.00 H new ATOM 325 N TRP A 23 -15.390 2.624 11.852 1.00 0.00 N ATOM 326 CA TRP A 23 -15.339 3.851 11.032 1.00 0.00 C ATOM 327 C TRP A 23 -16.157 5.010 11.625 1.00 0.00 C ATOM 328 O TRP A 23 -15.568 6.025 11.982 1.00 0.00 O ATOM 329 CB TRP A 23 -15.786 3.577 9.590 1.00 0.00 C ATOM 330 CG TRP A 23 -14.871 2.625 8.809 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.287 1.561 8.124 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.484 2.592 8.812 1.00 0.00 C ATOM 333 NE1 TRP A 23 -14.238 0.840 7.732 1.00 0.00 N ATOM 334 CE2 TRP A 23 -13.119 1.437 8.136 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.509 3.481 9.250 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.778 1.149 7.923 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.168 3.205 9.018 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.803 2.035 8.364 1.00 0.00 C ATOM 0 H TRP A 23 -15.709 1.806 11.332 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.294 4.162 11.031 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.793 3.159 9.608 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.844 4.525 9.055 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.319 1.319 7.918 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -14.285 -0.032 7.205 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.794 4.384 9.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.493 0.239 7.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.409 3.900 9.346 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.759 1.814 8.198 1.00 0.00 H new ATOM 349 N GLU A 24 -17.435 4.771 11.927 1.00 0.00 N ATOM 350 CA GLU A 24 -18.320 5.810 12.503 1.00 0.00 C ATOM 351 C GLU A 24 -17.868 6.374 13.861 1.00 0.00 C ATOM 352 O GLU A 24 -18.147 7.533 14.155 1.00 0.00 O ATOM 353 CB GLU A 24 -19.795 5.387 12.532 1.00 0.00 C ATOM 354 CG GLU A 24 -20.120 4.139 13.361 1.00 0.00 C ATOM 355 CD GLU A 24 -21.423 3.454 12.932 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.797 3.594 11.741 1.00 0.00 O ATOM 357 OE2 GLU A 24 -21.999 2.761 13.797 1.00 0.00 O ATOM 0 H GLU A 24 -17.889 3.869 11.785 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.225 6.641 11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.383 6.219 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.123 5.214 11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.298 3.429 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.192 4.417 14.412 1.00 0.00 H new ATOM 364 N ARG A 25 -17.240 5.521 14.671 1.00 0.00 N ATOM 365 CA ARG A 25 -16.545 5.936 15.906 1.00 0.00 C ATOM 366 C ARG A 25 -15.256 6.732 15.635 1.00 0.00 C ATOM 367 O ARG A 25 -15.209 7.931 15.909 1.00 0.00 O ATOM 368 CB ARG A 25 -16.260 4.714 16.785 1.00 0.00 C ATOM 369 CG ARG A 25 -17.513 4.240 17.523 1.00 0.00 C ATOM 370 CD ARG A 25 -17.187 3.017 18.381 1.00 0.00 C ATOM 371 NE ARG A 25 -18.238 2.828 19.397 1.00 0.00 N ATOM 372 CZ ARG A 25 -18.070 2.889 20.722 1.00 0.00 C ATOM 373 NH1 ARG A 25 -16.907 3.198 21.278 1.00 0.00 N ATOM 374 NH2 ARG A 25 -19.102 2.694 21.529 1.00 0.00 N ATOM 0 H ARG A 25 -17.195 4.517 14.495 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.213 6.615 16.436 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.874 3.904 16.167 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.483 4.960 17.509 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.899 5.042 18.152 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -18.295 3.992 16.805 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.112 2.130 17.753 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.219 3.148 18.865 1.00 0.00 H new ATOM 0 HE ARG A 25 -19.180 2.633 19.058 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.098 3.400 20.690 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -16.821 3.234 22.294 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.024 2.497 21.139 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -18.975 2.740 22.540 1.00 0.00 H new ATOM 388 N VAL A 26 -14.320 6.111 14.914 1.00 0.00 N ATOM 389 CA VAL A 26 -12.972 6.656 14.618 1.00 0.00 C ATOM 390 C VAL A 26 -13.009 7.994 13.843 1.00 0.00 C ATOM 391 O VAL A 26 -12.265 8.914 14.173 1.00 0.00 O ATOM 392 CB VAL A 26 -12.114 5.572 13.922 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.729 6.066 13.482 1.00 0.00 C ATOM 394 CG2 VAL A 26 -11.889 4.378 14.858 1.00 0.00 C ATOM 0 H VAL A 26 -14.472 5.190 14.504 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.496 6.911 15.565 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.682 5.292 13.035 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.187 5.251 13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.843 6.889 12.777 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.171 6.409 14.353 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.284 3.627 14.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.372 4.713 15.757 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.851 3.944 15.132 1.00 0.00 H new ATOM 404 N LEU A 27 -13.925 8.098 12.880 1.00 0.00 N ATOM 405 CA LEU A 27 -14.177 9.318 12.079 1.00 0.00 C ATOM 406 C LEU A 27 -14.623 10.538 12.916 1.00 0.00 C ATOM 407 O LEU A 27 -14.354 11.677 12.540 1.00 0.00 O ATOM 408 CB LEU A 27 -15.217 8.945 11.010 1.00 0.00 C ATOM 409 CG LEU A 27 -15.563 10.026 9.978 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.888 9.346 8.650 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.794 10.826 10.413 1.00 0.00 C ATOM 0 H LEU A 27 -14.533 7.321 12.621 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.242 9.644 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.855 8.067 10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.136 8.652 11.517 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.712 10.701 9.884 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.136 10.102 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.023 8.775 8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.737 8.675 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.018 11.586 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.647 10.155 10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.595 11.308 11.370 1.00 0.00 H new ATOM 423 N GLY A 28 -15.243 10.254 14.070 1.00 0.00 N ATOM 424 CA GLY A 28 -15.852 11.269 14.954 1.00 0.00 C ATOM 425 C GLY A 28 -17.281 10.862 15.334 1.00 0.00 C ATOM 426 O GLY A 28 -18.253 11.403 14.807 1.00 0.00 O ATOM 0 H GLY A 28 -15.339 9.302 14.424 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.249 11.385 15.855 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.864 12.237 14.452 1.00 0.00 H new ATOM 430 N VAL A 29 -17.328 9.861 16.214 1.00 0.00 N ATOM 431 CA VAL A 29 -18.520 9.182 16.776 1.00 0.00 C ATOM 432 C VAL A 29 -19.902 9.714 16.334 1.00 0.00 C ATOM 433 O VAL A 29 -20.527 10.556 16.975 1.00 0.00 O ATOM 434 CB VAL A 29 -18.329 8.995 18.298 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.280 10.304 19.096 1.00 0.00 C ATOM 436 CG2 VAL A 29 -19.336 7.998 18.884 1.00 0.00 C ATOM 0 H VAL A 29 -16.467 9.464 16.590 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.568 8.196 16.313 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.334 8.564 18.408 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.144 10.080 20.154 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.448 10.914 18.744 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.213 10.850 18.958 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.166 7.897 19.956 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.349 8.360 18.710 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.209 7.028 18.403 1.00 0.00 H new ATOM 446 N SER A 30 -20.276 9.254 15.144 1.00 0.00 N ATOM 447 CA SER A 30 -21.548 9.621 14.489 1.00 0.00 C ATOM 448 C SER A 30 -22.277 8.388 13.908 1.00 0.00 C ATOM 449 O SER A 30 -22.640 7.493 14.668 1.00 0.00 O ATOM 450 CB SER A 30 -21.300 10.731 13.451 1.00 0.00 C ATOM 451 OG SER A 30 -20.847 11.945 14.050 1.00 0.00 O ATOM 0 H SER A 30 -19.707 8.610 14.594 1.00 0.00 H new ATOM 0 HA SER A 30 -22.229 10.023 15.239 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.561 10.389 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.221 10.922 12.901 1.00 0.00 H new ATOM 0 HG SER A 30 -19.971 11.798 14.465 1.00 0.00 H new ATOM 457 N GLY A 31 -22.297 8.248 12.572 1.00 0.00 N ATOM 458 CA GLY A 31 -23.004 7.147 11.880 1.00 0.00 C ATOM 459 C GLY A 31 -22.782 7.210 10.366 1.00 0.00 C ATOM 460 O GLY A 31 -23.333 8.072 9.683 1.00 0.00 O ATOM 0 H GLY A 31 -21.825 8.892 11.938 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.652 6.189 12.262 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.071 7.204 12.096 1.00 0.00 H new ATOM 464 N ILE A 32 -21.883 6.360 9.878 1.00 0.00 N ATOM 465 CA ILE A 32 -21.522 6.373 8.444 1.00 0.00 C ATOM 466 C ILE A 32 -22.290 5.323 7.617 1.00 0.00 C ATOM 467 O ILE A 32 -23.374 4.899 8.007 1.00 0.00 O ATOM 468 CB ILE A 32 -19.994 6.379 8.204 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.199 5.281 8.925 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.427 7.766 8.516 1.00 0.00 C ATOM 471 CD1 ILE A 32 -19.336 3.885 8.313 1.00 0.00 C ATOM 0 H ILE A 32 -21.392 5.660 10.435 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.865 7.332 8.055 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.867 6.140 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.145 5.559 8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.523 5.240 9.965 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.350 7.766 8.346 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.897 8.505 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.629 8.016 9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -18.741 3.176 8.888 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.382 3.580 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -18.983 3.903 7.282 1.00 0.00 H new ATOM 483 N GLY A 33 -21.778 5.050 6.411 1.00 0.00 N ATOM 484 CA GLY A 33 -22.367 4.077 5.475 1.00 0.00 C ATOM 485 C GLY A 33 -21.293 3.122 4.946 1.00 0.00 C ATOM 486 O GLY A 33 -20.113 3.465 4.910 1.00 0.00 O ATOM 0 H GLY A 33 -20.936 5.500 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.151 3.510 5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.836 4.602 4.643 1.00 0.00 H new ATOM 490 N ILE A 34 -21.754 1.995 4.418 1.00 0.00 N ATOM 491 CA ILE A 34 -20.908 0.984 3.740 1.00 0.00 C ATOM 492 C ILE A 34 -20.091 1.603 2.582 1.00 0.00 C ATOM 493 O ILE A 34 -18.891 1.368 2.451 1.00 0.00 O ATOM 494 CB ILE A 34 -21.826 -0.174 3.289 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.546 -0.839 4.479 1.00 0.00 C ATOM 496 CG2 ILE A 34 -21.154 -1.198 2.362 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.683 -1.350 5.644 1.00 0.00 C ATOM 0 H ILE A 34 -22.741 1.741 4.442 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.158 0.592 4.427 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.588 0.296 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.261 -0.121 4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.122 -1.681 4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.872 -1.974 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.809 -0.698 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.304 -1.650 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.325 -1.792 6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.985 -2.102 5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.126 -0.519 6.076 1.00 0.00 H new ATOM 509 N LEU A 35 -20.771 2.431 1.791 1.00 0.00 N ATOM 510 CA LEU A 35 -20.161 3.297 0.759 1.00 0.00 C ATOM 511 C LEU A 35 -19.110 4.281 1.314 1.00 0.00 C ATOM 512 O LEU A 35 -18.069 4.467 0.690 1.00 0.00 O ATOM 513 CB LEU A 35 -21.297 4.055 0.059 1.00 0.00 C ATOM 514 CG LEU A 35 -20.861 5.064 -1.013 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.327 4.366 -2.267 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.023 5.999 -1.349 1.00 0.00 C ATOM 0 H LEU A 35 -21.785 2.528 1.844 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.614 2.663 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.964 3.327 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -21.877 4.584 0.816 1.00 0.00 H new ATOM 0 HG LEU A 35 -20.039 5.657 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -20.029 5.115 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.465 3.753 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -21.106 3.732 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -21.707 6.713 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.863 5.415 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -22.328 6.537 -0.452 1.00 0.00 H new ATOM 528 N ASP A 36 -19.292 4.685 2.574 1.00 0.00 N ATOM 529 CA ASP A 36 -18.534 5.758 3.258 1.00 0.00 C ATOM 530 C ASP A 36 -18.652 7.113 2.534 1.00 0.00 C ATOM 531 O ASP A 36 -19.490 7.264 1.645 1.00 0.00 O ATOM 532 CB ASP A 36 -17.073 5.328 3.482 1.00 0.00 C ATOM 533 CG ASP A 36 -16.968 4.109 4.406 1.00 0.00 C ATOM 534 OD1 ASP A 36 -17.069 4.338 5.630 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.884 2.979 3.873 1.00 0.00 O ATOM 0 H ASP A 36 -19.998 4.262 3.177 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.984 5.913 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.612 5.096 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.513 6.158 3.912 1.00 0.00 H new ATOM 540 N ASN A 37 -18.062 8.141 3.144 1.00 0.00 N ATOM 541 CA ASN A 37 -17.903 9.461 2.493 1.00 0.00 C ATOM 542 C ASN A 37 -16.649 9.551 1.594 1.00 0.00 C ATOM 543 O ASN A 37 -16.329 10.623 1.092 1.00 0.00 O ATOM 544 CB ASN A 37 -17.904 10.552 3.579 1.00 0.00 C ATOM 545 CG ASN A 37 -18.043 11.969 3.002 1.00 0.00 C ATOM 546 OD1 ASN A 37 -18.759 12.223 2.045 1.00 0.00 O ATOM 547 ND2 ASN A 37 -17.439 12.950 3.638 1.00 0.00 N ATOM 0 H ASN A 37 -17.683 8.094 4.090 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.746 9.610 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.723 10.366 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.979 10.488 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.570 13.914 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.840 12.747 4.438 1.00 0.00 H new ATOM 554 N PHE A 38 -15.901 8.444 1.491 1.00 0.00 N ATOM 555 CA PHE A 38 -14.648 8.262 0.713 1.00 0.00 C ATOM 556 C PHE A 38 -13.493 9.282 0.853 1.00 0.00 C ATOM 557 O PHE A 38 -12.438 9.140 0.241 1.00 0.00 O ATOM 558 CB PHE A 38 -14.965 7.952 -0.760 1.00 0.00 C ATOM 559 CG PHE A 38 -15.741 9.042 -1.502 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.058 10.086 -2.114 1.00 0.00 C ATOM 561 CD2 PHE A 38 -17.125 8.964 -1.592 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.762 11.056 -2.814 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.830 9.938 -2.290 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.148 10.983 -2.900 1.00 0.00 C ATOM 0 H PHE A 38 -16.165 7.588 1.979 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.202 7.406 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.028 7.773 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.538 7.026 -0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.982 10.143 -2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.653 8.148 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.233 11.867 -3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.906 9.882 -2.358 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.695 11.740 -3.442 1.00 0.00 H new ATOM 574 N PHE A 39 -13.709 10.276 1.707 1.00 0.00 N ATOM 575 CA PHE A 39 -12.759 11.366 1.990 1.00 0.00 C ATOM 576 C PHE A 39 -12.150 11.197 3.399 1.00 0.00 C ATOM 577 O PHE A 39 -11.185 10.455 3.585 1.00 0.00 O ATOM 578 CB PHE A 39 -13.587 12.651 1.815 1.00 0.00 C ATOM 579 CG PHE A 39 -12.779 13.946 1.747 1.00 0.00 C ATOM 580 CD1 PHE A 39 -12.396 14.420 0.498 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.667 14.770 2.863 1.00 0.00 C ATOM 582 CE1 PHE A 39 -11.928 15.719 0.357 1.00 0.00 C ATOM 583 CE2 PHE A 39 -12.194 16.068 2.722 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.828 16.546 1.470 1.00 0.00 C ATOM 0 H PHE A 39 -14.574 10.356 2.242 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.895 11.381 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -14.176 12.562 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -14.291 12.725 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.463 13.775 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.948 14.400 3.838 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.642 16.087 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.110 16.708 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.467 17.558 1.362 1.00 0.00 H new ATOM 594 N GLN A 40 -12.874 11.697 4.402 1.00 0.00 N ATOM 595 CA GLN A 40 -12.520 11.699 5.840 1.00 0.00 C ATOM 596 C GLN A 40 -12.502 10.338 6.575 1.00 0.00 C ATOM 597 O GLN A 40 -12.514 10.282 7.802 1.00 0.00 O ATOM 598 CB GLN A 40 -13.473 12.686 6.529 1.00 0.00 C ATOM 599 CG GLN A 40 -14.937 12.239 6.429 1.00 0.00 C ATOM 600 CD GLN A 40 -15.902 13.372 6.752 1.00 0.00 C ATOM 601 OE1 GLN A 40 -16.889 13.072 7.557 1.00 0.00 O flip ATOM 602 NE2 GLN A 40 -15.906 14.417 6.122 1.00 0.00 N flip ATOM 0 H GLN A 40 -13.777 12.139 4.232 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.472 11.993 5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.195 12.785 7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.363 13.671 6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.135 11.869 5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.110 11.409 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.131 14.639 5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.685 15.068 6.220 1.00 0.00 H new ATOM 611 N ILE A 41 -12.355 9.260 5.812 1.00 0.00 N ATOM 612 CA ILE A 41 -12.236 7.892 6.365 1.00 0.00 C ATOM 613 C ILE A 41 -10.763 7.441 6.440 1.00 0.00 C ATOM 614 O ILE A 41 -10.393 6.679 7.330 1.00 0.00 O ATOM 615 CB ILE A 41 -13.151 6.870 5.653 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.825 6.632 4.176 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.631 7.228 5.824 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.983 5.363 4.023 1.00 0.00 C ATOM 0 H ILE A 41 -12.314 9.297 4.794 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.605 7.931 7.390 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.945 5.924 6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.747 6.538 3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.284 7.488 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -15.246 6.489 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.883 7.237 6.884 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.818 8.214 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.756 5.202 2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.054 5.473 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.539 4.509 4.409 1.00 0.00 H new ATOM 630 N GLY A 42 -9.952 7.945 5.491 1.00 0.00 N ATOM 631 CA GLY A 42 -8.480 7.803 5.509 1.00 0.00 C ATOM 632 C GLY A 42 -7.813 8.436 6.741 1.00 0.00 C ATOM 633 O GLY A 42 -6.896 7.861 7.324 1.00 0.00 O ATOM 0 H GLY A 42 -10.299 8.465 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.226 6.744 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.069 8.260 4.609 1.00 0.00 H new ATOM 637 N GLY A 43 -8.239 9.677 7.025 1.00 0.00 N ATOM 638 CA GLY A 43 -7.826 10.439 8.223 1.00 0.00 C ATOM 639 C GLY A 43 -6.325 10.754 8.315 1.00 0.00 C ATOM 640 O GLY A 43 -5.528 9.944 8.792 1.00 0.00 O ATOM 0 H GLY A 43 -8.887 10.188 6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.380 11.378 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.117 9.876 9.110 1.00 0.00 H new ATOM 644 N HIS A 44 -6.024 12.018 8.028 1.00 0.00 N ATOM 645 CA HIS A 44 -4.662 12.604 8.022 1.00 0.00 C ATOM 646 C HIS A 44 -4.063 12.838 9.431 1.00 0.00 C ATOM 647 O HIS A 44 -3.711 13.952 9.824 1.00 0.00 O ATOM 648 CB HIS A 44 -4.664 13.883 7.161 1.00 0.00 C ATOM 649 CG HIS A 44 -5.497 15.057 7.709 1.00 0.00 C ATOM 650 ND1 HIS A 44 -6.783 15.043 8.051 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -5.047 16.296 7.895 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -7.126 16.260 8.453 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -6.051 17.038 8.356 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.742 12.699 7.782 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.992 11.869 7.576 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.634 14.218 7.039 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.036 13.630 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.041 16.640 7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.103 16.565 8.797 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.005 18.029 8.593 1.00 0.00 H new ATOM 662 N SER A 45 -3.977 11.741 10.181 1.00 0.00 N ATOM 663 CA SER A 45 -3.509 11.648 11.586 1.00 0.00 C ATOM 664 C SER A 45 -3.393 10.170 12.020 1.00 0.00 C ATOM 665 O SER A 45 -3.306 9.285 11.168 1.00 0.00 O ATOM 666 CB SER A 45 -4.458 12.422 12.519 1.00 0.00 C ATOM 667 OG SER A 45 -4.213 13.824 12.437 1.00 0.00 O ATOM 0 H SER A 45 -4.246 10.829 9.812 1.00 0.00 H new ATOM 0 HA SER A 45 -2.520 12.100 11.655 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.493 12.212 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.322 12.084 13.546 1.00 0.00 H new ATOM 0 HG SER A 45 -3.760 14.028 11.592 1.00 0.00 H new ATOM 673 N LEU A 46 -3.494 9.903 13.326 1.00 0.00 N ATOM 674 CA LEU A 46 -3.420 8.553 13.936 1.00 0.00 C ATOM 675 C LEU A 46 -4.363 7.476 13.358 1.00 0.00 C ATOM 676 O LEU A 46 -4.124 6.285 13.555 1.00 0.00 O ATOM 677 CB LEU A 46 -3.589 8.620 15.464 1.00 0.00 C ATOM 678 CG LEU A 46 -4.995 8.974 15.971 1.00 0.00 C ATOM 679 CD1 LEU A 46 -5.159 8.445 17.396 1.00 0.00 C ATOM 680 CD2 LEU A 46 -5.243 10.486 15.975 1.00 0.00 C ATOM 0 H LEU A 46 -3.634 10.639 14.018 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.418 8.220 13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.305 7.655 15.884 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.887 9.356 15.855 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.717 8.516 15.295 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.155 8.692 17.764 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.029 7.363 17.400 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.410 8.902 18.042 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.250 10.689 16.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.516 10.972 16.625 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.140 10.874 14.962 1.00 0.00 H new ATOM 692 N LYS A 47 -5.407 7.901 12.644 1.00 0.00 N ATOM 693 CA LYS A 47 -6.349 7.010 11.931 1.00 0.00 C ATOM 694 C LYS A 47 -5.616 5.956 11.083 1.00 0.00 C ATOM 695 O LYS A 47 -5.763 4.769 11.358 1.00 0.00 O ATOM 696 CB LYS A 47 -7.307 7.787 11.016 1.00 0.00 C ATOM 697 CG LYS A 47 -8.212 8.797 11.735 1.00 0.00 C ATOM 698 CD LYS A 47 -7.540 10.165 11.891 1.00 0.00 C ATOM 699 CE LYS A 47 -8.504 11.175 12.510 1.00 0.00 C ATOM 700 NZ LYS A 47 -7.957 12.539 12.476 1.00 0.00 N ATOM 0 H LYS A 47 -5.633 8.890 12.538 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.924 6.513 12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.720 8.317 10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.935 7.074 10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.141 8.912 11.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.477 8.410 12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.653 10.070 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.205 10.524 10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.452 11.150 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.714 10.893 13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.731 13.226 12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.280 12.661 13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.472 12.696 11.569 1.00 0.00 H new ATOM 714 N ALA A 48 -4.624 6.404 10.308 1.00 0.00 N ATOM 715 CA ALA A 48 -3.740 5.521 9.515 1.00 0.00 C ATOM 716 C ALA A 48 -3.026 4.431 10.342 1.00 0.00 C ATOM 717 O ALA A 48 -2.971 3.280 9.916 1.00 0.00 O ATOM 718 CB ALA A 48 -2.711 6.374 8.769 1.00 0.00 C ATOM 0 H ALA A 48 -4.404 7.395 10.207 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.383 4.986 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.058 5.727 8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.226 7.067 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.115 6.937 9.488 1.00 0.00 H new ATOM 724 N MET A 49 -2.628 4.772 11.570 1.00 0.00 N ATOM 725 CA MET A 49 -2.005 3.844 12.542 1.00 0.00 C ATOM 726 C MET A 49 -3.006 2.825 13.118 1.00 0.00 C ATOM 727 O MET A 49 -2.737 1.625 13.128 1.00 0.00 O ATOM 728 CB MET A 49 -1.356 4.624 13.693 1.00 0.00 C ATOM 729 CG MET A 49 -0.193 5.503 13.227 1.00 0.00 C ATOM 730 SD MET A 49 0.516 6.500 14.587 1.00 0.00 S ATOM 731 CE MET A 49 1.824 7.325 13.706 1.00 0.00 C ATOM 0 H MET A 49 -2.728 5.720 11.933 1.00 0.00 H new ATOM 0 HA MET A 49 -1.245 3.288 11.993 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.109 5.249 14.173 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.997 3.922 14.446 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.586 4.873 12.798 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.538 6.167 12.435 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.366 7.980 14.388 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.509 6.584 13.294 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.400 7.917 12.895 1.00 0.00 H new ATOM 741 N ALA A 50 -4.183 3.308 13.517 1.00 0.00 N ATOM 742 CA ALA A 50 -5.318 2.459 13.945 1.00 0.00 C ATOM 743 C ALA A 50 -5.786 1.503 12.827 1.00 0.00 C ATOM 744 O ALA A 50 -6.173 0.359 13.072 1.00 0.00 O ATOM 745 CB ALA A 50 -6.475 3.353 14.399 1.00 0.00 C ATOM 0 H ALA A 50 -4.387 4.307 13.556 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.980 1.837 14.774 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.313 2.731 14.715 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.149 3.974 15.233 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.788 3.991 13.572 1.00 0.00 H new ATOM 751 N VAL A 51 -5.740 2.010 11.596 1.00 0.00 N ATOM 752 CA VAL A 51 -5.951 1.223 10.364 1.00 0.00 C ATOM 753 C VAL A 51 -4.819 0.195 10.178 1.00 0.00 C ATOM 754 O VAL A 51 -5.104 -0.994 10.109 1.00 0.00 O ATOM 755 CB VAL A 51 -6.153 2.150 9.150 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.353 1.374 7.843 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.388 3.033 9.359 1.00 0.00 C ATOM 0 H VAL A 51 -5.552 2.996 11.415 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.872 0.647 10.456 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.246 2.749 9.069 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.491 2.076 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.477 0.755 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.234 0.738 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.520 3.684 8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.270 2.403 9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.253 3.641 10.254 1.00 0.00 H new ATOM 767 N ALA A 52 -3.559 0.615 10.298 1.00 0.00 N ATOM 768 CA ALA A 52 -2.398 -0.302 10.275 1.00 0.00 C ATOM 769 C ALA A 52 -2.540 -1.466 11.275 1.00 0.00 C ATOM 770 O ALA A 52 -2.400 -2.622 10.882 1.00 0.00 O ATOM 771 CB ALA A 52 -1.105 0.470 10.555 1.00 0.00 C ATOM 0 H ALA A 52 -3.305 1.596 10.414 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.359 -0.736 9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.259 -0.217 10.535 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.967 1.237 9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.167 0.940 11.536 1.00 0.00 H new ATOM 777 N ALA A 53 -3.040 -1.153 12.473 1.00 0.00 N ATOM 778 CA ALA A 53 -3.397 -2.148 13.507 1.00 0.00 C ATOM 779 C ALA A 53 -4.410 -3.197 13.007 1.00 0.00 C ATOM 780 O ALA A 53 -4.036 -4.358 12.846 1.00 0.00 O ATOM 781 CB ALA A 53 -3.903 -1.432 14.764 1.00 0.00 C ATOM 0 H ALA A 53 -3.213 -0.191 12.763 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.493 -2.705 13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.165 -2.170 15.523 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.121 -0.777 15.149 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.783 -0.839 14.516 1.00 0.00 H new ATOM 787 N GLN A 54 -5.606 -2.761 12.602 1.00 0.00 N ATOM 788 CA GLN A 54 -6.650 -3.655 12.042 1.00 0.00 C ATOM 789 C GLN A 54 -6.221 -4.391 10.755 1.00 0.00 C ATOM 790 O GLN A 54 -6.456 -5.588 10.605 1.00 0.00 O ATOM 791 CB GLN A 54 -7.987 -2.912 11.859 1.00 0.00 C ATOM 792 CG GLN A 54 -7.913 -1.743 10.871 1.00 0.00 C ATOM 793 CD GLN A 54 -9.152 -0.851 10.836 1.00 0.00 C ATOM 794 OE1 GLN A 54 -9.974 -0.914 9.935 1.00 0.00 O ATOM 795 NE2 GLN A 54 -9.209 0.110 11.733 1.00 0.00 N ATOM 0 H GLN A 54 -5.888 -1.782 12.649 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.796 -4.439 12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.741 -3.620 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.320 -2.537 12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.048 -1.129 11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.742 -2.142 9.871 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.516 0.151 12.481 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.946 0.813 11.681 1.00 0.00 H new ATOM 804 N VAL A 55 -5.456 -3.704 9.911 1.00 0.00 N ATOM 805 CA VAL A 55 -4.885 -4.249 8.660 1.00 0.00 C ATOM 806 C VAL A 55 -3.805 -5.327 8.903 1.00 0.00 C ATOM 807 O VAL A 55 -3.565 -6.186 8.055 1.00 0.00 O ATOM 808 CB VAL A 55 -4.446 -3.085 7.746 1.00 0.00 C ATOM 809 CG1 VAL A 55 -3.779 -3.549 6.452 1.00 0.00 C ATOM 810 CG2 VAL A 55 -5.667 -2.258 7.333 1.00 0.00 C ATOM 0 H VAL A 55 -5.204 -2.729 10.072 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.660 -4.800 8.127 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.728 -2.509 8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.496 -2.681 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.889 -4.132 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.476 -4.166 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.350 -1.438 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.371 -2.892 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.150 -1.854 8.222 1.00 0.00 H new ATOM 820 N HIS A 56 -3.094 -5.204 10.019 1.00 0.00 N ATOM 821 CA HIS A 56 -2.161 -6.239 10.497 1.00 0.00 C ATOM 822 C HIS A 56 -2.897 -7.404 11.192 1.00 0.00 C ATOM 823 O HIS A 56 -2.882 -8.518 10.680 1.00 0.00 O ATOM 824 CB HIS A 56 -1.131 -5.558 11.408 1.00 0.00 C ATOM 825 CG HIS A 56 0.139 -6.366 11.708 1.00 0.00 C ATOM 826 ND1 HIS A 56 0.964 -6.118 12.723 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.723 -7.277 10.930 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.059 -6.854 12.562 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.909 -7.567 11.453 1.00 0.00 N ATOM 0 H HIS A 56 -3.143 -4.385 10.625 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.646 -6.698 9.653 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.837 -4.614 10.949 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.616 -5.316 12.354 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.305 -7.705 10.031 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.918 -6.869 13.217 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.587 -8.224 11.068 1.00 0.00 H new ATOM 838 N ARG A 57 -3.702 -7.085 12.208 1.00 0.00 N ATOM 839 CA ARG A 57 -4.369 -8.093 13.064 1.00 0.00 C ATOM 840 C ARG A 57 -5.598 -8.830 12.489 1.00 0.00 C ATOM 841 O ARG A 57 -5.899 -9.938 12.930 1.00 0.00 O ATOM 842 CB ARG A 57 -4.674 -7.503 14.452 1.00 0.00 C ATOM 843 CG ARG A 57 -5.798 -6.454 14.497 1.00 0.00 C ATOM 844 CD ARG A 57 -7.014 -6.927 15.306 1.00 0.00 C ATOM 845 NE ARG A 57 -7.629 -8.118 14.691 1.00 0.00 N ATOM 846 CZ ARG A 57 -8.606 -8.877 15.186 1.00 0.00 C ATOM 847 NH1 ARG A 57 -8.963 -8.826 16.462 1.00 0.00 N ATOM 848 NH2 ARG A 57 -9.045 -9.896 14.466 1.00 0.00 N ATOM 0 H ARG A 57 -3.916 -6.122 12.468 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.629 -8.891 13.130 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.937 -8.320 15.124 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.763 -7.050 14.842 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.413 -5.532 14.933 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.112 -6.219 13.480 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.709 -7.157 16.327 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.749 -6.124 15.367 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.263 -8.393 13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.485 -8.190 17.100 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.716 -9.422 16.805 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.636 -10.088 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.792 -10.490 14.826 1.00 0.00 H new ATOM 862 N GLU A 58 -6.399 -8.127 11.690 1.00 0.00 N ATOM 863 CA GLU A 58 -7.665 -8.642 11.121 1.00 0.00 C ATOM 864 C GLU A 58 -7.594 -8.851 9.594 1.00 0.00 C ATOM 865 O GLU A 58 -8.351 -9.651 9.049 1.00 0.00 O ATOM 866 CB GLU A 58 -8.787 -7.646 11.453 1.00 0.00 C ATOM 867 CG GLU A 58 -10.193 -8.229 11.254 1.00 0.00 C ATOM 868 CD GLU A 58 -11.319 -7.185 11.292 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.160 -6.148 11.976 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.336 -7.444 10.612 1.00 0.00 O ATOM 0 H GLU A 58 -6.193 -7.168 11.409 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.859 -9.619 11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.679 -7.319 12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.676 -6.761 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.227 -8.748 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.378 -8.974 12.027 1.00 0.00 H new ATOM 877 N TYR A 59 -6.888 -7.947 8.916 1.00 0.00 N ATOM 878 CA TYR A 59 -6.666 -8.029 7.457 1.00 0.00 C ATOM 879 C TYR A 59 -5.507 -8.957 7.043 1.00 0.00 C ATOM 880 O TYR A 59 -5.485 -9.425 5.909 1.00 0.00 O ATOM 881 CB TYR A 59 -6.436 -6.641 6.849 1.00 0.00 C ATOM 882 CG TYR A 59 -7.623 -5.665 6.770 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.572 -5.523 7.781 1.00 0.00 C ATOM 884 CD2 TYR A 59 -7.694 -4.831 5.660 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.568 -4.559 7.683 1.00 0.00 C ATOM 886 CE2 TYR A 59 -8.689 -3.869 5.553 1.00 0.00 C ATOM 887 CZ TYR A 59 -9.626 -3.729 6.569 1.00 0.00 C ATOM 888 OH TYR A 59 -10.624 -2.816 6.457 1.00 0.00 O ATOM 0 H TYR A 59 -6.451 -7.136 9.353 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.584 -8.467 7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.646 -6.156 7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.055 -6.782 5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.533 -6.167 8.647 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.965 -4.933 4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.297 -4.454 8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.735 -3.231 4.683 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.315 -2.058 5.918 1.00 0.00 H new ATOM 898 N GLN A 60 -4.508 -9.097 7.920 1.00 0.00 N ATOM 899 CA GLN A 60 -3.264 -9.877 7.713 1.00 0.00 C ATOM 900 C GLN A 60 -2.352 -9.530 6.517 1.00 0.00 C ATOM 901 O GLN A 60 -1.305 -10.150 6.336 1.00 0.00 O ATOM 902 CB GLN A 60 -3.573 -11.383 7.749 1.00 0.00 C ATOM 903 CG GLN A 60 -3.462 -11.995 9.153 1.00 0.00 C ATOM 904 CD GLN A 60 -4.398 -11.420 10.225 1.00 0.00 C ATOM 905 OE1 GLN A 60 -5.477 -10.890 9.991 1.00 0.00 O ATOM 906 NE2 GLN A 60 -3.963 -11.488 11.460 1.00 0.00 N ATOM 0 H GLN A 60 -4.537 -8.653 8.838 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.646 -9.563 8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.580 -11.549 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.888 -11.903 7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.650 -13.066 9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.435 -11.876 9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.065 -11.928 11.661 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.522 -11.101 12.220 1.00 0.00 H new ATOM 915 N VAL A 61 -2.668 -8.438 5.823 1.00 0.00 N ATOM 916 CA VAL A 61 -1.876 -7.980 4.654 1.00 0.00 C ATOM 917 C VAL A 61 -0.925 -6.806 4.997 1.00 0.00 C ATOM 918 O VAL A 61 -0.030 -6.474 4.222 1.00 0.00 O ATOM 919 CB VAL A 61 -2.772 -7.663 3.428 1.00 0.00 C ATOM 920 CG1 VAL A 61 -1.954 -7.689 2.132 1.00 0.00 C ATOM 921 CG2 VAL A 61 -3.962 -8.612 3.238 1.00 0.00 C ATOM 0 H VAL A 61 -3.468 -7.844 6.041 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.238 -8.818 4.374 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.169 -6.670 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.604 -7.464 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.160 -6.944 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.515 -8.678 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.530 -8.312 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.597 -9.631 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.606 -8.569 4.117 1.00 0.00 H new ATOM 931 N GLU A 62 -1.188 -6.110 6.110 1.00 0.00 N ATOM 932 CA GLU A 62 -0.335 -5.036 6.685 1.00 0.00 C ATOM 933 C GLU A 62 0.109 -3.921 5.703 1.00 0.00 C ATOM 934 O GLU A 62 1.291 -3.611 5.542 1.00 0.00 O ATOM 935 CB GLU A 62 0.868 -5.686 7.393 1.00 0.00 C ATOM 936 CG GLU A 62 1.552 -4.730 8.381 1.00 0.00 C ATOM 937 CD GLU A 62 3.033 -5.043 8.641 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.436 -6.221 8.535 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.740 -4.065 8.970 1.00 0.00 O ATOM 0 H GLU A 62 -2.029 -6.277 6.663 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.962 -4.497 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.535 -6.577 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.592 -6.012 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.469 -3.712 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.015 -4.760 9.329 1.00 0.00 H new ATOM 946 N LEU A 63 -0.877 -3.250 5.110 1.00 0.00 N ATOM 947 CA LEU A 63 -0.633 -2.097 4.219 1.00 0.00 C ATOM 948 C LEU A 63 -1.494 -0.855 4.547 1.00 0.00 C ATOM 949 O LEU A 63 -2.594 -0.687 4.009 1.00 0.00 O ATOM 950 CB LEU A 63 -0.660 -2.519 2.734 1.00 0.00 C ATOM 951 CG LEU A 63 -1.994 -2.921 2.079 1.00 0.00 C ATOM 952 CD1 LEU A 63 -1.743 -3.243 0.606 1.00 0.00 C ATOM 953 CD2 LEU A 63 -2.672 -4.123 2.734 1.00 0.00 C ATOM 0 H LEU A 63 -1.864 -3.481 5.227 1.00 0.00 H new ATOM 0 HA LEU A 63 0.382 -1.753 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.248 -1.694 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.024 -3.360 2.622 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.669 -2.074 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.681 -3.529 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.336 -2.364 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.032 -4.066 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.605 -4.342 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.012 -4.989 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.883 -3.897 3.779 1.00 0.00 H new ATOM 965 N PRO A 64 -1.020 0.002 5.472 1.00 0.00 N ATOM 966 CA PRO A 64 -1.730 1.235 5.868 1.00 0.00 C ATOM 967 C PRO A 64 -1.840 2.224 4.702 1.00 0.00 C ATOM 968 O PRO A 64 -1.028 2.205 3.779 1.00 0.00 O ATOM 969 CB PRO A 64 -0.910 1.815 7.024 1.00 0.00 C ATOM 970 CG PRO A 64 0.504 1.307 6.749 1.00 0.00 C ATOM 971 CD PRO A 64 0.276 -0.093 6.175 1.00 0.00 C ATOM 0 HA PRO A 64 -2.758 1.029 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.950 2.904 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.279 1.471 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.031 1.949 6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.103 1.275 7.659 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.077 -0.378 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.246 -0.845 6.963 1.00 0.00 H new ATOM 979 N LEU A 65 -2.905 3.023 4.743 1.00 0.00 N ATOM 980 CA LEU A 65 -3.296 4.026 3.724 1.00 0.00 C ATOM 981 C LEU A 65 -3.743 3.446 2.368 1.00 0.00 C ATOM 982 O LEU A 65 -4.720 3.936 1.806 1.00 0.00 O ATOM 983 CB LEU A 65 -2.211 5.096 3.517 1.00 0.00 C ATOM 984 CG LEU A 65 -2.806 6.460 3.144 1.00 0.00 C ATOM 985 CD1 LEU A 65 -3.350 7.172 4.387 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.766 7.321 2.429 1.00 0.00 C ATOM 0 H LEU A 65 -3.560 2.996 5.524 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.183 4.493 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.622 5.195 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.529 4.772 2.731 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.639 6.298 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.767 8.137 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.129 6.562 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.542 7.324 5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.206 8.285 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.909 7.476 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.440 6.817 1.519 1.00 0.00 H new ATOM 998 N LYS A 66 -3.103 2.370 1.900 1.00 0.00 N ATOM 999 CA LYS A 66 -3.508 1.628 0.683 1.00 0.00 C ATOM 1000 C LYS A 66 -4.977 1.168 0.773 1.00 0.00 C ATOM 1001 O LYS A 66 -5.854 1.827 0.212 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.606 0.415 0.405 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.197 0.678 -0.135 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.222 1.212 0.920 1.00 0.00 C ATOM 1005 CE LYS A 66 1.208 0.699 0.716 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.788 1.076 -0.583 1.00 0.00 N ATOM 0 H LYS A 66 -2.278 1.978 2.355 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.398 2.325 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.509 -0.149 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.122 -0.229 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.798 -0.248 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.259 1.394 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.221 2.302 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.570 0.921 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.842 1.086 1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.212 -0.387 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.754 0.698 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.205 0.685 -1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.815 2.113 -0.663 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.227 0.171 1.628 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.579 -0.354 1.943 1.00 0.00 C ATOM 1022 C VAL A 67 -7.355 0.584 2.893 1.00 0.00 C ATOM 1023 O VAL A 67 -7.723 0.248 4.019 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.533 -1.813 2.455 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.079 -2.779 1.360 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -5.633 -1.995 3.678 1.00 0.00 C ATOM 0 H VAL A 67 -4.485 -0.311 2.137 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.138 -0.377 1.007 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.557 -2.043 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.059 -3.794 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.773 -2.730 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.081 -2.502 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.645 -3.040 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.614 -1.703 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.998 -1.372 4.494 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.514 1.809 2.405 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.061 2.965 3.142 1.00 0.00 C ATOM 1038 C LEU A 68 -8.368 4.138 2.192 1.00 0.00 C ATOM 1039 O LEU A 68 -9.493 4.627 2.157 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.032 3.365 4.213 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.472 4.465 5.180 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.681 4.037 6.019 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.288 4.840 6.074 1.00 0.00 C ATOM 0 H LEU A 68 -7.258 2.044 1.446 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.006 2.697 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.776 2.478 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.121 3.691 3.711 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.787 5.335 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.961 4.847 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.518 3.807 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.424 3.152 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.590 5.624 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.964 3.964 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.465 5.200 5.456 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.363 4.560 1.428 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.499 5.592 0.382 1.00 0.00 C ATOM 1057 C PHE A 69 -7.815 5.024 -1.011 1.00 0.00 C ATOM 1058 O PHE A 69 -8.722 5.516 -1.677 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.230 6.444 0.325 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.411 7.781 1.046 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.227 7.880 2.420 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.686 8.919 0.299 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -6.288 9.122 3.040 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.754 10.161 0.920 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.551 10.264 2.290 1.00 0.00 C ATOM 0 H PHE A 69 -6.415 4.195 1.513 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.356 6.204 0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.404 5.896 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.960 6.626 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.037 6.992 3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.847 8.839 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.131 9.201 4.106 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.965 11.045 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.597 11.229 2.773 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.096 3.974 -1.411 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.352 3.259 -2.682 1.00 0.00 C ATOM 1077 C ALA A 70 -8.711 2.534 -2.672 1.00 0.00 C ATOM 1078 O ALA A 70 -9.367 2.413 -3.705 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.213 2.277 -2.973 1.00 0.00 C ATOM 0 H ALA A 70 -6.320 3.589 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.392 4.002 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.412 1.757 -3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.273 2.823 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.142 1.551 -2.163 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.049 1.957 -1.518 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.411 1.446 -1.256 1.00 0.00 C ATOM 1087 C GLN A 71 -11.070 2.253 -0.113 1.00 0.00 C ATOM 1088 O GLN A 71 -11.172 1.764 1.016 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.393 -0.056 -0.921 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.616 -0.936 -1.905 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.185 -1.173 -1.417 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.407 -0.280 -1.105 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.827 -2.423 -1.290 1.00 0.00 N ATOM 0 H GLN A 71 -8.400 1.828 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.001 1.572 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.964 -0.185 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.422 -0.413 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.126 -1.892 -2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.596 -0.461 -2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.474 -3.168 -1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.901 -2.654 -0.931 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.620 3.440 -0.421 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.226 4.336 0.588 1.00 0.00 C ATOM 1104 C PRO A 72 -13.675 3.966 0.965 1.00 0.00 C ATOM 1105 O PRO A 72 -14.467 4.800 1.407 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.093 5.714 -0.061 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.333 5.424 -1.542 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.654 4.072 -1.757 1.00 0.00 C ATOM 0 HA PRO A 72 -11.729 4.274 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.824 6.419 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.107 6.147 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.397 5.380 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.899 6.196 -2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.210 3.461 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.649 4.196 -2.160 1.00 0.00 H new ATOM 1116 N THR A 73 -13.909 2.656 1.012 1.00 0.00 N ATOM 1117 CA THR A 73 -15.242 2.033 1.164 1.00 0.00 C ATOM 1118 C THR A 73 -15.112 0.586 1.650 1.00 0.00 C ATOM 1119 O THR A 73 -14.384 -0.227 1.073 1.00 0.00 O ATOM 1120 CB THR A 73 -16.080 2.090 -0.135 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.306 1.372 0.057 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.359 1.601 -1.399 1.00 0.00 C ATOM 0 H THR A 73 -13.159 1.969 0.944 1.00 0.00 H new ATOM 0 HA THR A 73 -15.775 2.617 1.914 1.00 0.00 H new ATOM 0 HB THR A 73 -16.273 3.147 -0.320 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.636 1.526 0.967 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.030 1.681 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.474 2.214 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.060 0.561 -1.268 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.945 0.263 2.636 1.00 0.00 N ATOM 1131 CA ILE A 74 -15.970 -1.085 3.231 1.00 0.00 C ATOM 1132 C ILE A 74 -16.439 -2.188 2.258 1.00 0.00 C ATOM 1133 O ILE A 74 -15.974 -3.318 2.368 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.654 -1.049 4.615 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -15.882 -1.881 5.655 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.155 -1.353 4.611 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.781 -3.400 5.453 1.00 0.00 C ATOM 0 H ILE A 74 -16.616 0.913 3.046 1.00 0.00 H new ATOM 0 HA ILE A 74 -14.944 -1.399 3.425 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.605 -0.004 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -14.867 -1.486 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.343 -1.706 6.627 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.539 -1.302 5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.673 -0.621 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.323 -2.352 4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.207 -3.838 6.269 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.781 -3.833 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.283 -3.609 4.506 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.189 -1.825 1.215 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.571 -2.775 0.148 1.00 0.00 C ATOM 1151 C LYS A 75 -16.321 -3.363 -0.542 1.00 0.00 C ATOM 1152 O LYS A 75 -16.108 -4.576 -0.530 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.500 -2.070 -0.853 1.00 0.00 C ATOM 1154 CG LYS A 75 -19.087 -2.988 -1.934 1.00 0.00 C ATOM 1155 CD LYS A 75 -19.976 -4.098 -1.358 1.00 0.00 C ATOM 1156 CE LYS A 75 -20.663 -4.927 -2.449 1.00 0.00 C ATOM 1157 NZ LYS A 75 -19.724 -5.694 -3.284 1.00 0.00 N ATOM 0 H LYS A 75 -17.548 -0.880 1.079 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.111 -3.614 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.320 -1.606 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.947 -1.266 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.670 -2.390 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.273 -3.439 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.371 -4.756 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.734 -3.654 -0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -21.367 -5.616 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.244 -4.262 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.254 -6.231 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.067 -5.041 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.186 -6.353 -2.686 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.425 -2.476 -0.976 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.120 -2.871 -1.543 1.00 0.00 C ATOM 1173 C ALA A 76 -13.176 -3.502 -0.502 1.00 0.00 C ATOM 1174 O ALA A 76 -12.601 -4.559 -0.762 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.467 -1.664 -2.219 1.00 0.00 C ATOM 0 H ALA A 76 -15.575 -1.467 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.307 -3.648 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.504 -1.958 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.113 -1.301 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.318 -0.872 -1.485 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.163 -2.949 0.715 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.388 -3.501 1.848 1.00 0.00 C ATOM 1183 C LEU A 77 -12.761 -4.952 2.204 1.00 0.00 C ATOM 1184 O LEU A 77 -11.890 -5.817 2.252 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.524 -2.605 3.088 1.00 0.00 C ATOM 1186 CG LEU A 77 -11.902 -1.212 2.912 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.266 -0.324 4.104 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.381 -1.296 2.787 1.00 0.00 C ATOM 0 H LEU A 77 -13.687 -2.106 0.950 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.350 -3.518 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.581 -2.494 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.052 -3.100 3.937 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.300 -0.780 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.821 0.662 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.350 -0.228 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.886 -0.773 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.970 -0.294 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.966 -1.750 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.120 -1.904 1.921 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.065 -5.237 2.245 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.611 -6.594 2.452 1.00 0.00 C ATOM 1202 C ALA A 78 -14.130 -7.583 1.377 1.00 0.00 C ATOM 1203 O ALA A 78 -13.549 -8.605 1.729 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.142 -6.552 2.487 1.00 0.00 C ATOM 0 H ALA A 78 -14.787 -4.526 2.134 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.238 -6.950 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.530 -7.559 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.470 -5.909 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.517 -6.158 1.542 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.161 -7.147 0.119 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.636 -7.908 -1.034 1.00 0.00 C ATOM 1212 C GLN A 79 -12.109 -8.134 -1.021 1.00 0.00 C ATOM 1213 O GLN A 79 -11.606 -9.104 -1.585 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.104 -7.232 -2.326 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.309 -7.946 -2.961 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.563 -8.127 -2.090 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.196 -9.171 -2.078 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.017 -7.114 -1.382 1.00 0.00 N ATOM 0 H GLN A 79 -14.555 -6.243 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.045 -8.916 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.370 -6.196 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.281 -7.211 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.596 -7.392 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.982 -8.932 -3.289 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.509 -6.230 -1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.877 -7.214 -0.842 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.385 -7.176 -0.447 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.941 -7.293 -0.152 1.00 0.00 C ATOM 1229 C TYR A 80 -9.547 -8.213 1.021 1.00 0.00 C ATOM 1230 O TYR A 80 -8.381 -8.575 1.152 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.335 -5.901 0.023 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.739 -5.417 -1.300 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.545 -4.855 -2.284 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.372 -5.540 -1.512 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -8.981 -4.390 -3.465 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.804 -5.072 -2.688 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.607 -4.486 -3.660 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.022 -3.868 -4.716 1.00 0.00 O ATOM 0 H TYR A 80 -11.782 -6.279 -0.166 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.523 -7.799 -1.022 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.100 -5.203 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.562 -5.926 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.611 -4.780 -2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.750 -6.001 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.607 -3.955 -4.230 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.740 -5.163 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.057 -4.037 -4.700 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.496 -8.494 1.911 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.270 -9.422 3.044 1.00 0.00 C ATOM 1250 C VAL A 81 -11.102 -10.716 3.016 1.00 0.00 C ATOM 1251 O VAL A 81 -10.583 -11.757 2.620 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.276 -8.741 4.426 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.009 -7.900 4.559 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.507 -7.871 4.714 1.00 0.00 C ATOM 0 H VAL A 81 -11.435 -8.097 1.879 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.246 -9.756 2.876 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.314 -9.542 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.998 -7.411 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.134 -8.543 4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.989 -7.145 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.420 -7.435 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.571 -7.074 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.406 -8.485 4.665 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.409 -10.584 3.227 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.376 -11.703 3.269 1.00 0.00 C ATOM 1266 C ALA A 82 -13.781 -12.143 1.845 1.00 0.00 C ATOM 1267 O ALA A 82 -14.922 -12.030 1.394 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.574 -11.262 4.120 1.00 0.00 C ATOM 0 H ALA A 82 -12.847 -9.676 3.379 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.925 -12.583 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.304 -12.070 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.235 -11.019 5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.035 -10.383 3.671 1.00 0.00 H new ATOM 1274 N THR A 83 -12.748 -12.579 1.130 1.00 0.00 N ATOM 1275 CA THR A 83 -12.762 -13.020 -0.285 1.00 0.00 C ATOM 1276 C THR A 83 -11.457 -13.792 -0.564 1.00 0.00 C ATOM 1277 O THR A 83 -11.516 -14.976 -0.880 1.00 0.00 O ATOM 1278 CB THR A 83 -12.919 -11.838 -1.266 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.091 -11.082 -0.953 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.010 -12.286 -2.731 1.00 0.00 C ATOM 0 H THR A 83 -11.815 -12.643 1.537 1.00 0.00 H new ATOM 0 HA THR A 83 -13.627 -13.665 -0.444 1.00 0.00 H new ATOM 0 HB THR A 83 -12.023 -11.229 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.602 -11.544 -0.256 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.119 -11.412 -3.373 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.103 -12.825 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.873 -12.940 -2.859 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.308 -13.122 -0.426 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.993 -13.786 -0.591 1.00 0.00 C ATOM 1290 C ARG A 84 -8.169 -14.000 0.697 1.00 0.00 C ATOM 1291 O ARG A 84 -7.499 -15.020 0.837 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.143 -13.108 -1.683 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.518 -11.749 -1.335 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.508 -10.579 -1.283 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.961 -10.144 -2.618 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.220 -9.567 -3.571 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.026 -9.043 -3.322 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.759 -9.316 -4.754 1.00 0.00 N ATOM 0 H ARG A 84 -10.252 -12.128 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.260 -14.794 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.339 -13.790 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.768 -12.978 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.022 -11.830 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.746 -11.521 -2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.374 -10.870 -0.689 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.040 -9.737 -0.773 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.945 -10.300 -2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.643 -9.072 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.491 -8.612 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.732 -9.562 -4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.201 -8.876 -5.486 1.00 0.00 H new ATOM 1312 N SER A 85 -8.279 -13.080 1.657 1.00 0.00 N ATOM 1313 CA SER A 85 -7.527 -13.077 2.941 1.00 0.00 C ATOM 1314 C SER A 85 -5.994 -13.212 2.853 1.00 0.00 C ATOM 1315 O SER A 85 -5.352 -12.140 2.812 1.00 0.00 O ATOM 1316 CB SER A 85 -8.111 -14.054 3.973 1.00 0.00 C ATOM 1317 OG SER A 85 -8.200 -15.390 3.465 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.493 -14.356 2.786 1.00 99.99 O ATOM 0 H SER A 85 -8.912 -12.284 1.572 1.00 0.00 H new ATOM 0 HA SER A 85 -7.680 -12.056 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.489 -14.048 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.103 -13.714 4.272 1.00 0.00 H new ATOM 0 HG SER A 85 -7.819 -15.423 2.563 1.00 0.00 H new