USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 800 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 93 ASN : amide:sc= -1.73 K(o=-1.8,f=-5.4!) USER MOD Set 1.2: A 97 SER OG : rot -47:sc= -0.101 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.218 K(o=0.22,f=-8.4!) USER MOD Set 2.2: A 21 ASN : amide:sc= 0 X(o=0.22,f=0.7) USER MOD Set 2.3: A 80 ASN : amide:sc= 0 X(o=0.22,f=0.67) USER MOD Set 3.1: A 17 ASN : amide:sc= -0.383 K(o=-0.57,f=-2) USER MOD Set 3.2: A 79 ASN : amide:sc= -0.188 K(o=-0.57,f=-1.2) USER MOD Set 4.1: A 42 ASN : amide:sc= -3.05! C(o=-2.2!,f=-7.5!) USER MOD Set 4.2: A 62 SER OG : rot -26:sc= 0.839 USER MOD Set 5.1: A 33 ASN : amide:sc= 0.305 X(o=-0.23,f=-0.73) USER MOD Set 5.2: A 35 GLN : amide:sc= -0.539 X(o=-0.23,f=-0.73) USER MOD Set 6.1: A 27 THR OG1 : rot 80:sc= 1.2 USER MOD Set 6.2: A 74 MET CE :methyl 162:sc= -3.93 (180deg=-4.02) USER MOD Set 7.1: A 24 TYR OH : rot 104:sc= 0.256 USER MOD Set 7.2: A 51 ASN :FLIP amide:sc= 1.05 F(o=0.2,f=1.3) USER MOD Set 8.1: A 12 TYR OH : rot 47:sc= 0.265 USER MOD Set 8.2: A 98 SER OG : rot 65:sc= 1.4 USER MOD Set 9.1: A 11 TYR OH : rot 130:sc= 0.58 USER MOD Set 9.2: A 85 SER OG : rot 103:sc= 0.903 USER MOD Single : A 6 GLN : amide:sc= -0.918 K(o=-0.92,f=-5.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 131:sc= -0.438 (180deg=-1.29!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 32 GLN : amide:sc= 0.385 K(o=0.38,f=-0.18) USER MOD Single : A 36 THR OG1 : rot 17:sc= 0.335 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -0.166! (180deg=-1.36!) USER MOD Single : A 41 SER OG : rot -40:sc= 0.701 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 0.0912 (180deg=-2.48!) USER MOD Single : A 52 ASN : amide:sc= 1.1 K(o=1.1,f=-0.61) USER MOD Single : A 54 THR OG1 : rot -34:sc= 0.442 USER MOD Single : A 60 SER OG : rot -156:sc= -0.149 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -34:sc= 0.548 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= 1.17 (180deg=0.696) USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 0.848 (180deg=0.408) USER MOD Single : A 82 THR OG1 : rot 94:sc= 1.14 USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0.812 (180deg=0.708) USER MOD Single : A 88 TYR OH : rot -156:sc= 0.813 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00617 USER MOD Single : A 91 GLN : amide:sc= -0.0144 K(o=-0.014,f=-3.5!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0351 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.393! X(o=-0.39!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -2.577 -11.426 5.301 1.00 43.12 N ATOM 73 CA GLN A 6 -1.658 -12.543 5.294 1.00 14.33 C ATOM 74 C GLN A 6 -0.289 -12.079 4.846 1.00 34.44 C ATOM 75 O GLN A 6 -0.161 -11.219 3.991 1.00 75.21 O ATOM 76 CB GLN A 6 -2.157 -13.674 4.383 1.00 60.53 C ATOM 77 CG GLN A 6 -3.486 -14.310 4.800 1.00 53.00 C ATOM 78 CD GLN A 6 -3.438 -15.077 6.129 1.00 4.01 C ATOM 79 OE1 GLN A 6 -2.666 -14.764 7.055 1.00 44.32 O ATOM 80 NE2 GLN A 6 -4.269 -16.082 6.241 1.00 54.54 N ATOM 0 HA GLN A 6 -1.594 -12.936 6.309 1.00 14.33 H new ATOM 0 HB2 GLN A 6 -2.261 -13.284 3.371 1.00 60.53 H new ATOM 0 HB3 GLN A 6 -1.395 -14.453 4.348 1.00 60.53 H new ATOM 0 HG2 GLN A 6 -4.241 -13.527 4.874 1.00 53.00 H new ATOM 0 HG3 GLN A 6 -3.810 -14.992 4.014 1.00 53.00 H new ATOM 0 HE21 GLN A 6 -4.891 -16.318 5.468 1.00 54.54 H new ATOM 0 HE22 GLN A 6 -4.295 -16.629 7.101 1.00 54.54 H new ATOM 89 N TYR A 7 0.706 -12.615 5.463 1.00 14.24 N ATOM 90 CA TYR A 7 2.085 -12.284 5.203 1.00 23.54 C ATOM 91 C TYR A 7 2.841 -13.529 4.785 1.00 74.43 C ATOM 92 O TYR A 7 3.002 -14.455 5.575 1.00 1.42 O ATOM 93 CB TYR A 7 2.710 -11.611 6.455 1.00 75.43 C ATOM 94 CG TYR A 7 1.968 -11.962 7.737 1.00 73.25 C ATOM 95 CD1 TYR A 7 2.218 -13.143 8.425 1.00 32.40 C ATOM 96 CD2 TYR A 7 0.961 -11.127 8.212 1.00 53.41 C ATOM 97 CE1 TYR A 7 1.481 -13.480 9.541 1.00 4.11 C ATOM 98 CE2 TYR A 7 0.238 -11.449 9.330 1.00 41.22 C ATOM 99 CZ TYR A 7 0.495 -12.625 9.988 1.00 21.43 C ATOM 100 OH TYR A 7 -0.274 -12.971 11.077 1.00 52.34 O ATOM 0 H TYR A 7 0.590 -13.321 6.190 1.00 14.24 H new ATOM 0 HA TYR A 7 2.149 -11.570 4.382 1.00 23.54 H new ATOM 0 HB2 TYR A 7 3.752 -11.918 6.546 1.00 75.43 H new ATOM 0 HB3 TYR A 7 2.707 -10.529 6.322 1.00 75.43 H new ATOM 0 HD1 TYR A 7 2.999 -13.805 8.082 1.00 32.40 H new ATOM 0 HD2 TYR A 7 0.745 -10.207 7.689 1.00 53.41 H new ATOM 0 HE1 TYR A 7 1.674 -14.407 10.061 1.00 4.11 H new ATOM 0 HE2 TYR A 7 -0.530 -10.781 9.691 1.00 41.22 H new ATOM 0 HH TYR A 7 -0.921 -12.258 11.261 1.00 52.34 H new ATOM 110 N LYS A 8 3.262 -13.571 3.552 1.00 34.22 N ATOM 111 CA LYS A 8 3.986 -14.708 3.043 1.00 2.31 C ATOM 112 C LYS A 8 5.146 -14.279 2.163 1.00 44.12 C ATOM 113 O LYS A 8 4.964 -13.549 1.211 1.00 3.24 O ATOM 114 CB LYS A 8 3.059 -15.695 2.294 1.00 55.51 C ATOM 115 CG LYS A 8 3.837 -16.749 1.518 1.00 10.13 C ATOM 116 CD LYS A 8 2.981 -17.847 0.932 1.00 35.12 C ATOM 117 CE LYS A 8 3.786 -18.672 -0.083 1.00 34.24 C ATOM 118 NZ LYS A 8 5.146 -19.047 0.416 1.00 4.13 N ATOM 0 H LYS A 8 3.116 -12.824 2.873 1.00 34.22 H new ATOM 0 HA LYS A 8 4.395 -15.235 3.905 1.00 2.31 H new ATOM 0 HB2 LYS A 8 2.402 -16.187 3.011 1.00 55.51 H new ATOM 0 HB3 LYS A 8 2.421 -15.139 1.607 1.00 55.51 H new ATOM 0 HG2 LYS A 8 4.383 -16.260 0.711 1.00 10.13 H new ATOM 0 HG3 LYS A 8 4.579 -17.196 2.179 1.00 10.13 H new ATOM 0 HD2 LYS A 8 2.615 -18.495 1.728 1.00 35.12 H new ATOM 0 HD3 LYS A 8 2.106 -17.414 0.446 1.00 35.12 H new ATOM 0 HE2 LYS A 8 3.232 -19.578 -0.327 1.00 34.24 H new ATOM 0 HE3 LYS A 8 3.888 -18.102 -1.007 1.00 34.24 H new ATOM 0 HZ1 LYS A 8 5.303 -20.064 0.266 1.00 4.13 H new ATOM 0 HZ2 LYS A 8 5.867 -18.505 -0.102 1.00 4.13 H new ATOM 0 HZ3 LYS A 8 5.215 -18.832 1.431 1.00 4.13 H new ATOM 132 N ASP A 9 6.339 -14.735 2.521 1.00 1.34 N ATOM 133 CA ASP A 9 7.609 -14.502 1.772 1.00 31.44 C ATOM 134 C ASP A 9 7.847 -13.006 1.580 1.00 63.30 C ATOM 135 O ASP A 9 8.348 -12.577 0.536 1.00 14.54 O ATOM 136 CB ASP A 9 7.573 -15.155 0.355 1.00 25.15 C ATOM 137 CG ASP A 9 7.006 -16.561 0.293 1.00 41.32 C ATOM 138 OD1 ASP A 9 7.182 -17.361 1.226 1.00 11.22 O ATOM 139 OD2 ASP A 9 6.326 -16.880 -0.691 1.00 22.45 O ATOM 0 H ASP A 9 6.475 -15.296 3.362 1.00 1.34 H new ATOM 0 HA ASP A 9 8.407 -14.952 2.363 1.00 31.44 H new ATOM 0 HB2 ASP A 9 6.985 -14.516 -0.304 1.00 25.15 H new ATOM 0 HB3 ASP A 9 8.588 -15.174 -0.042 1.00 25.15 H new ATOM 144 N GLY A 10 7.502 -12.218 2.585 1.00 75.45 N ATOM 145 CA GLY A 10 7.687 -10.771 2.512 1.00 74.53 C ATOM 146 C GLY A 10 6.571 -10.067 1.738 1.00 22.04 C ATOM 147 O GLY A 10 6.571 -8.843 1.604 1.00 53.15 O ATOM 0 H GLY A 10 7.094 -12.550 3.459 1.00 75.45 H new ATOM 0 HA2 GLY A 10 7.734 -10.364 3.522 1.00 74.53 H new ATOM 0 HA3 GLY A 10 8.644 -10.556 2.037 1.00 74.53 H new ATOM 151 N TYR A 11 5.651 -10.841 1.227 1.00 61.21 N ATOM 152 CA TYR A 11 4.510 -10.348 0.492 1.00 73.53 C ATOM 153 C TYR A 11 3.380 -10.141 1.473 1.00 21.33 C ATOM 154 O TYR A 11 3.011 -11.057 2.217 1.00 72.22 O ATOM 155 CB TYR A 11 4.145 -11.368 -0.610 1.00 31.21 C ATOM 156 CG TYR A 11 2.946 -11.060 -1.486 1.00 22.33 C ATOM 157 CD1 TYR A 11 2.844 -9.874 -2.197 1.00 71.13 C ATOM 158 CD2 TYR A 11 1.935 -11.995 -1.634 1.00 41.42 C ATOM 159 CE1 TYR A 11 1.763 -9.628 -3.023 1.00 35.20 C ATOM 160 CE2 TYR A 11 0.852 -11.758 -2.452 1.00 74.44 C ATOM 161 CZ TYR A 11 0.766 -10.579 -3.143 1.00 73.02 C ATOM 162 OH TYR A 11 -0.327 -10.347 -3.964 1.00 24.05 O ATOM 0 H TYR A 11 5.672 -11.857 1.311 1.00 61.21 H new ATOM 0 HA TYR A 11 4.723 -9.398 0.003 1.00 73.53 H new ATOM 0 HB2 TYR A 11 5.013 -11.486 -1.259 1.00 31.21 H new ATOM 0 HB3 TYR A 11 3.972 -12.332 -0.131 1.00 31.21 H new ATOM 0 HD1 TYR A 11 3.622 -9.130 -2.104 1.00 71.13 H new ATOM 0 HD2 TYR A 11 1.997 -12.930 -1.097 1.00 41.42 H new ATOM 0 HE1 TYR A 11 1.698 -8.700 -3.571 1.00 35.20 H new ATOM 0 HE2 TYR A 11 0.073 -12.500 -2.548 1.00 74.44 H new ATOM 0 HH TYR A 11 -0.461 -11.117 -4.556 1.00 24.05 H new ATOM 172 N TYR A 12 2.878 -8.951 1.500 1.00 43.42 N ATOM 173 CA TYR A 12 1.861 -8.566 2.429 1.00 71.12 C ATOM 174 C TYR A 12 0.540 -8.473 1.697 1.00 25.22 C ATOM 175 O TYR A 12 0.389 -7.676 0.763 1.00 52.23 O ATOM 176 CB TYR A 12 2.239 -7.215 3.042 1.00 1.14 C ATOM 177 CG TYR A 12 1.418 -6.782 4.238 1.00 10.15 C ATOM 178 CD1 TYR A 12 1.733 -7.238 5.511 1.00 12.51 C ATOM 179 CD2 TYR A 12 0.362 -5.885 4.107 1.00 13.22 C ATOM 180 CE1 TYR A 12 1.029 -6.817 6.619 1.00 70.13 C ATOM 181 CE2 TYR A 12 -0.355 -5.465 5.213 1.00 11.34 C ATOM 182 CZ TYR A 12 -0.013 -5.932 6.467 1.00 14.24 C ATOM 183 OH TYR A 12 -0.706 -5.501 7.573 1.00 74.31 O ATOM 0 H TYR A 12 3.166 -8.204 0.868 1.00 43.42 H new ATOM 0 HA TYR A 12 1.768 -9.302 3.228 1.00 71.12 H new ATOM 0 HB2 TYR A 12 3.287 -7.252 3.339 1.00 1.14 H new ATOM 0 HB3 TYR A 12 2.153 -6.450 2.270 1.00 1.14 H new ATOM 0 HD1 TYR A 12 2.547 -7.937 5.636 1.00 12.51 H new ATOM 0 HD2 TYR A 12 0.099 -5.512 3.128 1.00 13.22 H new ATOM 0 HE1 TYR A 12 1.294 -7.180 7.601 1.00 70.13 H new ATOM 0 HE2 TYR A 12 -1.178 -4.775 5.096 1.00 11.34 H new ATOM 0 HH TYR A 12 -0.073 -5.242 8.275 1.00 74.31 H new ATOM 193 N ILE A 13 -0.371 -9.302 2.087 1.00 25.41 N ATOM 194 CA ILE A 13 -1.687 -9.365 1.519 1.00 11.12 C ATOM 195 C ILE A 13 -2.660 -8.823 2.534 1.00 41.55 C ATOM 196 O ILE A 13 -2.588 -9.191 3.697 1.00 2.44 O ATOM 197 CB ILE A 13 -2.092 -10.843 1.252 1.00 32.12 C ATOM 198 CG1 ILE A 13 -1.057 -11.543 0.374 1.00 64.32 C ATOM 199 CG2 ILE A 13 -3.485 -10.928 0.624 1.00 54.54 C ATOM 200 CD1 ILE A 13 -1.311 -13.026 0.175 1.00 21.14 C ATOM 0 H ILE A 13 -0.220 -9.979 2.835 1.00 25.41 H new ATOM 0 HA ILE A 13 -1.699 -8.798 0.588 1.00 11.12 H new ATOM 0 HB ILE A 13 -2.125 -11.358 2.212 1.00 32.12 H new ATOM 0 HG12 ILE A 13 -1.035 -11.056 -0.601 1.00 64.32 H new ATOM 0 HG13 ILE A 13 -0.071 -11.411 0.819 1.00 64.32 H new ATOM 0 HG21 ILE A 13 -3.742 -11.973 0.448 1.00 54.54 H new ATOM 0 HG22 ILE A 13 -4.216 -10.483 1.299 1.00 54.54 H new ATOM 0 HG23 ILE A 13 -3.491 -10.389 -0.323 1.00 54.54 H new ATOM 0 HD11 ILE A 13 -0.531 -13.447 -0.460 1.00 21.14 H new ATOM 0 HD12 ILE A 13 -1.303 -13.529 1.142 1.00 21.14 H new ATOM 0 HD13 ILE A 13 -2.282 -13.168 -0.300 1.00 21.14 H new ATOM 212 N THR A 14 -3.510 -7.936 2.132 1.00 64.45 N ATOM 213 CA THR A 14 -4.558 -7.501 2.983 1.00 72.00 C ATOM 214 C THR A 14 -5.718 -7.009 2.117 1.00 51.21 C ATOM 215 O THR A 14 -5.509 -6.365 1.090 1.00 1.01 O ATOM 216 CB THR A 14 -4.074 -6.421 4.008 1.00 63.22 C ATOM 217 OG1 THR A 14 -5.084 -6.167 4.995 1.00 11.13 O ATOM 218 CG2 THR A 14 -3.696 -5.118 3.319 1.00 32.04 C ATOM 0 H THR A 14 -3.495 -7.498 1.211 1.00 64.45 H new ATOM 0 HA THR A 14 -4.902 -8.338 3.591 1.00 72.00 H new ATOM 0 HB THR A 14 -3.185 -6.820 4.496 1.00 63.22 H new ATOM 0 HG1 THR A 14 -4.761 -5.491 5.627 1.00 11.13 H new ATOM 0 HG21 THR A 14 -3.366 -4.395 4.065 1.00 32.04 H new ATOM 0 HG22 THR A 14 -2.889 -5.302 2.610 1.00 32.04 H new ATOM 0 HG23 THR A 14 -4.562 -4.722 2.789 1.00 32.04 H new ATOM 226 N THR A 15 -6.903 -7.382 2.474 1.00 53.22 N ATOM 227 CA THR A 15 -8.071 -6.996 1.746 1.00 73.33 C ATOM 228 C THR A 15 -8.952 -6.151 2.655 1.00 71.32 C ATOM 229 O THR A 15 -9.334 -6.587 3.736 1.00 45.32 O ATOM 230 CB THR A 15 -8.824 -8.249 1.248 1.00 73.14 C ATOM 231 OG1 THR A 15 -7.884 -9.101 0.553 1.00 24.13 O ATOM 232 CG2 THR A 15 -9.954 -7.868 0.294 1.00 54.24 C ATOM 0 H THR A 15 -7.091 -7.969 3.287 1.00 53.22 H new ATOM 0 HA THR A 15 -7.793 -6.409 0.871 1.00 73.33 H new ATOM 0 HB THR A 15 -9.259 -8.765 2.104 1.00 73.14 H new ATOM 0 HG1 THR A 15 -8.346 -9.903 0.231 1.00 24.13 H new ATOM 0 HG21 THR A 15 -10.467 -8.770 -0.041 1.00 54.24 H new ATOM 0 HG22 THR A 15 -10.661 -7.218 0.809 1.00 54.24 H new ATOM 0 HG23 THR A 15 -9.541 -7.344 -0.568 1.00 54.24 H new ATOM 240 N LEU A 16 -9.246 -4.953 2.227 1.00 34.34 N ATOM 241 CA LEU A 16 -9.996 -4.032 3.021 1.00 14.12 C ATOM 242 C LEU A 16 -11.268 -3.694 2.277 1.00 52.43 C ATOM 243 O LEU A 16 -11.227 -3.381 1.085 1.00 33.44 O ATOM 244 CB LEU A 16 -9.168 -2.771 3.231 1.00 3.21 C ATOM 245 CG LEU A 16 -9.648 -1.812 4.313 1.00 1.20 C ATOM 246 CD1 LEU A 16 -9.596 -2.483 5.684 1.00 52.32 C ATOM 247 CD2 LEU A 16 -8.811 -0.542 4.301 1.00 23.14 C ATOM 0 H LEU A 16 -8.969 -4.592 1.314 1.00 34.34 H new ATOM 0 HA LEU A 16 -10.238 -4.466 3.991 1.00 14.12 H new ATOM 0 HB2 LEU A 16 -8.147 -3.070 3.469 1.00 3.21 H new ATOM 0 HB3 LEU A 16 -9.129 -2.228 2.287 1.00 3.21 H new ATOM 0 HG LEU A 16 -10.684 -1.543 4.106 1.00 1.20 H new ATOM 0 HD11 LEU A 16 -9.942 -1.783 6.445 1.00 52.32 H new ATOM 0 HD12 LEU A 16 -10.238 -3.364 5.682 1.00 52.32 H new ATOM 0 HD13 LEU A 16 -8.571 -2.781 5.905 1.00 52.32 H new ATOM 0 HD21 LEU A 16 -9.165 0.134 5.079 1.00 23.14 H new ATOM 0 HD22 LEU A 16 -7.766 -0.793 4.486 1.00 23.14 H new ATOM 0 HD23 LEU A 16 -8.901 -0.056 3.329 1.00 23.14 H new ATOM 259 N ASN A 17 -12.389 -3.740 2.941 1.00 41.30 N ATOM 260 CA ASN A 17 -13.638 -3.481 2.252 1.00 13.40 C ATOM 261 C ASN A 17 -13.965 -1.991 2.255 1.00 61.24 C ATOM 262 O ASN A 17 -14.804 -1.523 3.030 1.00 52.54 O ATOM 263 CB ASN A 17 -14.809 -4.305 2.823 1.00 2.21 C ATOM 264 CG ASN A 17 -16.046 -4.298 1.914 1.00 23.31 C ATOM 265 OD1 ASN A 17 -16.205 -5.174 1.066 1.00 12.03 O ATOM 266 ND2 ASN A 17 -16.904 -3.321 2.070 1.00 1.34 N ATOM 0 H ASN A 17 -12.473 -3.949 3.936 1.00 41.30 H new ATOM 0 HA ASN A 17 -13.501 -3.802 1.219 1.00 13.40 H new ATOM 0 HB2 ASN A 17 -14.482 -5.334 2.975 1.00 2.21 H new ATOM 0 HB3 ASN A 17 -15.082 -3.909 3.801 1.00 2.21 H new ATOM 0 HD21 ASN A 17 -17.733 -3.271 1.478 1.00 1.34 H new ATOM 0 HD22 ASN A 17 -16.743 -2.610 2.783 1.00 1.34 H new ATOM 273 N TYR A 18 -13.207 -1.254 1.474 1.00 52.11 N ATOM 274 CA TYR A 18 -13.426 0.159 1.233 1.00 12.33 C ATOM 275 C TYR A 18 -13.116 0.453 -0.212 1.00 52.22 C ATOM 276 O TYR A 18 -12.339 -0.278 -0.836 1.00 1.52 O ATOM 277 CB TYR A 18 -12.599 1.072 2.164 1.00 44.32 C ATOM 278 CG TYR A 18 -13.105 1.143 3.596 1.00 0.52 C ATOM 279 CD1 TYR A 18 -14.342 1.715 3.882 1.00 45.53 C ATOM 280 CD2 TYR A 18 -12.350 0.665 4.655 1.00 71.21 C ATOM 281 CE1 TYR A 18 -14.809 1.801 5.179 1.00 74.24 C ATOM 282 CE2 TYR A 18 -12.810 0.744 5.957 1.00 11.53 C ATOM 283 CZ TYR A 18 -14.042 1.313 6.212 1.00 4.11 C ATOM 284 OH TYR A 18 -14.509 1.392 7.509 1.00 14.43 O ATOM 0 H TYR A 18 -12.400 -1.628 0.975 1.00 52.11 H new ATOM 0 HA TYR A 18 -14.470 0.379 1.455 1.00 12.33 H new ATOM 0 HB2 TYR A 18 -11.568 0.719 2.174 1.00 44.32 H new ATOM 0 HB3 TYR A 18 -12.587 2.079 1.747 1.00 44.32 H new ATOM 0 HD1 TYR A 18 -14.948 2.099 3.074 1.00 45.53 H new ATOM 0 HD2 TYR A 18 -11.384 0.222 4.460 1.00 71.21 H new ATOM 0 HE1 TYR A 18 -15.771 2.249 5.381 1.00 74.24 H new ATOM 0 HE2 TYR A 18 -12.209 0.363 6.769 1.00 11.53 H new ATOM 0 HH TYR A 18 -13.848 1.002 8.119 1.00 14.43 H new ATOM 294 N ASN A 19 -13.708 1.512 -0.735 1.00 13.44 N ATOM 295 CA ASN A 19 -13.605 1.861 -2.155 1.00 32.32 C ATOM 296 C ASN A 19 -12.193 2.288 -2.535 1.00 62.24 C ATOM 297 O ASN A 19 -11.603 3.169 -1.909 1.00 65.12 O ATOM 298 CB ASN A 19 -14.663 2.942 -2.524 1.00 71.42 C ATOM 299 CG ASN A 19 -14.706 3.347 -4.016 1.00 64.53 C ATOM 300 OD1 ASN A 19 -13.700 3.386 -4.713 1.00 43.54 O ATOM 301 ND2 ASN A 19 -15.886 3.623 -4.511 1.00 62.23 N ATOM 0 H ASN A 19 -14.277 2.161 -0.192 1.00 13.44 H new ATOM 0 HA ASN A 19 -13.820 0.967 -2.740 1.00 32.32 H new ATOM 0 HB2 ASN A 19 -15.648 2.575 -2.236 1.00 71.42 H new ATOM 0 HB3 ASN A 19 -14.469 3.834 -1.928 1.00 71.42 H new ATOM 0 HD21 ASN A 19 -15.980 3.876 -5.495 1.00 62.23 H new ATOM 0 HD22 ASN A 19 -16.712 3.585 -3.913 1.00 62.23 H new ATOM 308 N PHE A 20 -11.702 1.669 -3.588 1.00 21.20 N ATOM 309 CA PHE A 20 -10.367 1.862 -4.152 1.00 63.25 C ATOM 310 C PHE A 20 -9.983 3.321 -4.357 1.00 52.22 C ATOM 311 O PHE A 20 -8.842 3.693 -4.102 1.00 61.35 O ATOM 312 CB PHE A 20 -10.275 1.063 -5.466 1.00 33.41 C ATOM 313 CG PHE A 20 -9.149 1.428 -6.401 1.00 13.35 C ATOM 314 CD1 PHE A 20 -7.861 0.980 -6.183 1.00 42.12 C ATOM 315 CD2 PHE A 20 -9.403 2.217 -7.516 1.00 63.44 C ATOM 316 CE1 PHE A 20 -6.847 1.314 -7.059 1.00 74.11 C ATOM 317 CE2 PHE A 20 -8.395 2.553 -8.389 1.00 34.44 C ATOM 318 CZ PHE A 20 -7.118 2.102 -8.160 1.00 73.35 C ATOM 0 H PHE A 20 -12.246 0.980 -4.107 1.00 21.20 H new ATOM 0 HA PHE A 20 -9.643 1.491 -3.427 1.00 63.25 H new ATOM 0 HB2 PHE A 20 -10.181 0.006 -5.216 1.00 33.41 H new ATOM 0 HB3 PHE A 20 -11.216 1.181 -6.003 1.00 33.41 H new ATOM 0 HD1 PHE A 20 -7.645 0.365 -5.322 1.00 42.12 H new ATOM 0 HD2 PHE A 20 -10.406 2.572 -7.700 1.00 63.44 H new ATOM 0 HE1 PHE A 20 -5.842 0.959 -6.883 1.00 74.11 H new ATOM 0 HE2 PHE A 20 -8.606 3.169 -9.251 1.00 34.44 H new ATOM 0 HZ PHE A 20 -6.324 2.364 -8.843 1.00 73.35 H new ATOM 328 N ASN A 21 -10.927 4.141 -4.776 1.00 53.14 N ATOM 329 CA ASN A 21 -10.642 5.547 -5.038 1.00 51.41 C ATOM 330 C ASN A 21 -10.139 6.266 -3.793 1.00 55.53 C ATOM 331 O ASN A 21 -9.128 6.957 -3.841 1.00 1.23 O ATOM 332 CB ASN A 21 -11.847 6.271 -5.658 1.00 71.12 C ATOM 333 CG ASN A 21 -12.130 5.820 -7.087 1.00 55.44 C ATOM 334 OD1 ASN A 21 -12.875 4.874 -7.326 1.00 51.52 O ATOM 335 ND2 ASN A 21 -11.540 6.493 -8.047 1.00 62.21 N ATOM 0 H ASN A 21 -11.894 3.864 -4.943 1.00 53.14 H new ATOM 0 HA ASN A 21 -9.838 5.573 -5.773 1.00 51.41 H new ATOM 0 HB2 ASN A 21 -12.729 6.093 -5.043 1.00 71.12 H new ATOM 0 HB3 ASN A 21 -11.664 7.346 -5.649 1.00 71.12 H new ATOM 0 HD21 ASN A 21 -11.696 6.234 -9.021 1.00 62.21 H new ATOM 0 HD22 ASN A 21 -10.926 7.275 -7.819 1.00 62.21 H new ATOM 342 N THR A 22 -10.819 6.085 -2.674 1.00 14.14 N ATOM 343 CA THR A 22 -10.368 6.692 -1.438 1.00 63.13 C ATOM 344 C THR A 22 -9.088 6.008 -0.926 1.00 4.34 C ATOM 345 O THR A 22 -8.193 6.675 -0.402 1.00 33.41 O ATOM 346 CB THR A 22 -11.484 6.807 -0.335 1.00 20.03 C ATOM 347 OG1 THR A 22 -10.978 7.438 0.848 1.00 2.13 O ATOM 348 CG2 THR A 22 -12.080 5.461 0.038 1.00 71.34 C ATOM 0 H THR A 22 -11.672 5.531 -2.597 1.00 14.14 H new ATOM 0 HA THR A 22 -10.121 7.727 -1.675 1.00 63.13 H new ATOM 0 HB THR A 22 -12.274 7.419 -0.771 1.00 20.03 H new ATOM 0 HG1 THR A 22 -11.691 7.499 1.517 1.00 2.13 H new ATOM 0 HG21 THR A 22 -12.844 5.601 0.803 1.00 71.34 H new ATOM 0 HG22 THR A 22 -12.529 5.005 -0.844 1.00 71.34 H new ATOM 0 HG23 THR A 22 -11.295 4.810 0.424 1.00 71.34 H new ATOM 356 N VAL A 23 -9.003 4.684 -1.111 1.00 4.14 N ATOM 357 CA VAL A 23 -7.846 3.899 -0.666 1.00 3.54 C ATOM 358 C VAL A 23 -6.566 4.366 -1.365 1.00 72.42 C ATOM 359 O VAL A 23 -5.519 4.536 -0.713 1.00 14.54 O ATOM 360 CB VAL A 23 -8.033 2.371 -0.918 1.00 34.04 C ATOM 361 CG1 VAL A 23 -6.834 1.586 -0.417 1.00 34.40 C ATOM 362 CG2 VAL A 23 -9.298 1.848 -0.262 1.00 25.11 C ATOM 0 H VAL A 23 -9.728 4.132 -1.569 1.00 4.14 H new ATOM 0 HA VAL A 23 -7.761 4.062 0.408 1.00 3.54 H new ATOM 0 HB VAL A 23 -8.122 2.233 -1.996 1.00 34.04 H new ATOM 0 HG11 VAL A 23 -6.990 0.524 -0.605 1.00 34.40 H new ATOM 0 HG12 VAL A 23 -5.937 1.919 -0.939 1.00 34.40 H new ATOM 0 HG13 VAL A 23 -6.713 1.751 0.654 1.00 34.40 H new ATOM 0 HG21 VAL A 23 -9.395 0.780 -0.459 1.00 25.11 H new ATOM 0 HG22 VAL A 23 -9.246 2.015 0.814 1.00 25.11 H new ATOM 0 HG23 VAL A 23 -10.163 2.372 -0.669 1.00 25.11 H new ATOM 372 N TYR A 24 -6.653 4.585 -2.676 1.00 0.32 N ATOM 373 CA TYR A 24 -5.508 5.017 -3.462 1.00 11.44 C ATOM 374 C TYR A 24 -4.978 6.336 -2.946 1.00 61.03 C ATOM 375 O TYR A 24 -3.776 6.474 -2.703 1.00 35.55 O ATOM 376 CB TYR A 24 -5.862 5.119 -4.959 1.00 42.33 C ATOM 377 CG TYR A 24 -4.700 5.560 -5.844 1.00 64.01 C ATOM 378 CD1 TYR A 24 -3.613 4.726 -6.048 1.00 41.43 C ATOM 379 CD2 TYR A 24 -4.692 6.807 -6.464 1.00 1.14 C ATOM 380 CE1 TYR A 24 -2.551 5.110 -6.840 1.00 11.03 C ATOM 381 CE2 TYR A 24 -3.630 7.199 -7.264 1.00 41.34 C ATOM 382 CZ TYR A 24 -2.562 6.342 -7.447 1.00 64.51 C ATOM 383 OH TYR A 24 -1.499 6.712 -8.249 1.00 32.41 O ATOM 0 H TYR A 24 -7.511 4.468 -3.215 1.00 0.32 H new ATOM 0 HA TYR A 24 -4.726 4.265 -3.357 1.00 11.44 H new ATOM 0 HB2 TYR A 24 -6.220 4.149 -5.304 1.00 42.33 H new ATOM 0 HB3 TYR A 24 -6.685 5.824 -5.080 1.00 42.33 H new ATOM 0 HD1 TYR A 24 -3.597 3.754 -5.577 1.00 41.43 H new ATOM 0 HD2 TYR A 24 -5.525 7.478 -6.319 1.00 1.14 H new ATOM 0 HE1 TYR A 24 -1.713 4.444 -6.982 1.00 11.03 H new ATOM 0 HE2 TYR A 24 -3.637 8.168 -7.741 1.00 41.34 H new ATOM 0 HH TYR A 24 -1.761 6.644 -9.191 1.00 32.41 H new ATOM 393 N ASN A 25 -5.885 7.268 -2.713 1.00 60.54 N ATOM 394 CA ASN A 25 -5.543 8.578 -2.204 1.00 44.23 C ATOM 395 C ASN A 25 -4.885 8.481 -0.845 1.00 60.15 C ATOM 396 O ASN A 25 -3.814 9.047 -0.633 1.00 73.44 O ATOM 397 CB ASN A 25 -6.781 9.485 -2.116 1.00 4.20 C ATOM 398 CG ASN A 25 -7.305 9.962 -3.464 1.00 54.30 C ATOM 399 OD1 ASN A 25 -7.170 9.299 -4.476 1.00 14.22 O ATOM 400 ND2 ASN A 25 -7.916 11.124 -3.476 1.00 25.40 N ATOM 0 H ASN A 25 -6.883 7.134 -2.873 1.00 60.54 H new ATOM 0 HA ASN A 25 -4.837 9.020 -2.907 1.00 44.23 H new ATOM 0 HB2 ASN A 25 -7.576 8.946 -1.600 1.00 4.20 H new ATOM 0 HB3 ASN A 25 -6.537 10.355 -1.506 1.00 4.20 H new ATOM 0 HD21 ASN A 25 -8.292 11.493 -4.349 1.00 25.40 H new ATOM 0 HD22 ASN A 25 -8.014 11.657 -2.612 1.00 25.40 H new ATOM 407 N ALA A 26 -5.503 7.719 0.046 1.00 20.24 N ATOM 408 CA ALA A 26 -5.027 7.567 1.415 1.00 10.45 C ATOM 409 C ALA A 26 -3.622 6.973 1.464 1.00 74.55 C ATOM 410 O ALA A 26 -2.744 7.489 2.155 1.00 54.30 O ATOM 411 CB ALA A 26 -5.991 6.694 2.198 1.00 2.14 C ATOM 0 H ALA A 26 -6.349 7.188 -0.159 1.00 20.24 H new ATOM 0 HA ALA A 26 -4.980 8.558 1.866 1.00 10.45 H new ATOM 0 HB1 ALA A 26 -5.632 6.582 3.221 1.00 2.14 H new ATOM 0 HB2 ALA A 26 -6.977 7.159 2.208 1.00 2.14 H new ATOM 0 HB3 ALA A 26 -6.057 5.713 1.728 1.00 2.14 H new ATOM 417 N THR A 27 -3.412 5.920 0.698 1.00 23.21 N ATOM 418 CA THR A 27 -2.133 5.237 0.654 1.00 64.32 C ATOM 419 C THR A 27 -1.059 6.150 0.060 1.00 22.52 C ATOM 420 O THR A 27 0.039 6.285 0.615 1.00 51.40 O ATOM 421 CB THR A 27 -2.229 3.971 -0.208 1.00 75.35 C ATOM 422 OG1 THR A 27 -3.356 3.181 0.201 1.00 20.52 O ATOM 423 CG2 THR A 27 -0.953 3.138 -0.099 1.00 34.24 C ATOM 0 H THR A 27 -4.122 5.514 0.089 1.00 23.21 H new ATOM 0 HA THR A 27 -1.864 4.967 1.675 1.00 64.32 H new ATOM 0 HB THR A 27 -2.357 4.277 -1.246 1.00 75.35 H new ATOM 0 HG1 THR A 27 -4.175 3.552 -0.190 1.00 20.52 H new ATOM 0 HG21 THR A 27 -1.046 2.246 -0.719 1.00 34.24 H new ATOM 0 HG22 THR A 27 -0.103 3.729 -0.439 1.00 34.24 H new ATOM 0 HG23 THR A 27 -0.798 2.843 0.939 1.00 34.24 H new ATOM 431 N LEU A 28 -1.403 6.783 -1.056 1.00 1.44 N ATOM 432 CA LEU A 28 -0.510 7.674 -1.755 1.00 33.34 C ATOM 433 C LEU A 28 -0.071 8.820 -0.852 1.00 3.23 C ATOM 434 O LEU A 28 1.114 9.043 -0.691 1.00 22.34 O ATOM 435 CB LEU A 28 -1.180 8.165 -3.056 1.00 40.03 C ATOM 436 CG LEU A 28 -0.565 9.368 -3.788 1.00 13.32 C ATOM 437 CD1 LEU A 28 0.815 9.050 -4.320 1.00 32.24 C ATOM 438 CD2 LEU A 28 -1.480 9.831 -4.910 1.00 62.43 C ATOM 0 H LEU A 28 -2.318 6.686 -1.497 1.00 1.44 H new ATOM 0 HA LEU A 28 0.397 7.138 -2.033 1.00 33.34 H new ATOM 0 HB2 LEU A 28 -1.202 7.328 -3.754 1.00 40.03 H new ATOM 0 HB3 LEU A 28 -2.215 8.413 -2.823 1.00 40.03 H new ATOM 0 HG LEU A 28 -0.459 10.178 -3.066 1.00 13.32 H new ATOM 0 HD11 LEU A 28 1.218 9.924 -4.831 1.00 32.24 H new ATOM 0 HD12 LEU A 28 1.471 8.779 -3.492 1.00 32.24 H new ATOM 0 HD13 LEU A 28 0.752 8.217 -5.020 1.00 32.24 H new ATOM 0 HD21 LEU A 28 -1.030 10.684 -5.418 1.00 62.43 H new ATOM 0 HD22 LEU A 28 -1.623 9.018 -5.622 1.00 62.43 H new ATOM 0 HD23 LEU A 28 -2.445 10.124 -4.495 1.00 62.43 H new ATOM 450 N GLN A 29 -1.022 9.483 -0.211 1.00 5.31 N ATOM 451 CA GLN A 29 -0.707 10.601 0.675 1.00 50.21 C ATOM 452 C GLN A 29 0.143 10.160 1.862 1.00 11.03 C ATOM 453 O GLN A 29 1.094 10.827 2.219 1.00 40.13 O ATOM 454 CB GLN A 29 -1.971 11.313 1.157 1.00 15.41 C ATOM 455 CG GLN A 29 -2.776 11.953 0.037 1.00 22.41 C ATOM 456 CD GLN A 29 -3.989 12.717 0.536 1.00 44.33 C ATOM 457 OE1 GLN A 29 -4.586 12.386 1.550 1.00 35.12 O ATOM 458 NE2 GLN A 29 -4.353 13.759 -0.175 1.00 62.32 N ATOM 0 H GLN A 29 -2.017 9.269 -0.285 1.00 5.31 H new ATOM 0 HA GLN A 29 -0.123 11.310 0.088 1.00 50.21 H new ATOM 0 HB2 GLN A 29 -2.602 10.597 1.683 1.00 15.41 H new ATOM 0 HB3 GLN A 29 -1.692 12.082 1.877 1.00 15.41 H new ATOM 0 HG2 GLN A 29 -2.132 12.631 -0.523 1.00 22.41 H new ATOM 0 HG3 GLN A 29 -3.102 11.178 -0.656 1.00 22.41 H new ATOM 0 HE21 GLN A 29 -3.834 14.009 -1.017 1.00 62.32 H new ATOM 0 HE22 GLN A 29 -5.155 14.319 0.114 1.00 62.32 H new ATOM 467 N ALA A 30 -0.171 9.006 2.417 1.00 72.43 N ATOM 468 CA ALA A 30 0.538 8.474 3.568 1.00 23.34 C ATOM 469 C ALA A 30 2.035 8.315 3.295 1.00 41.34 C ATOM 470 O ALA A 30 2.868 8.724 4.100 1.00 71.23 O ATOM 471 CB ALA A 30 -0.055 7.136 3.983 1.00 15.54 C ATOM 0 H ALA A 30 -0.927 8.408 2.083 1.00 72.43 H new ATOM 0 HA ALA A 30 0.421 9.192 4.380 1.00 23.34 H new ATOM 0 HB1 ALA A 30 0.487 6.750 4.847 1.00 15.54 H new ATOM 0 HB2 ALA A 30 -1.105 7.268 4.243 1.00 15.54 H new ATOM 0 HB3 ALA A 30 0.028 6.429 3.157 1.00 15.54 H new ATOM 477 N ILE A 31 2.370 7.761 2.167 1.00 35.34 N ATOM 478 CA ILE A 31 3.761 7.537 1.853 1.00 73.11 C ATOM 479 C ILE A 31 4.436 8.779 1.201 1.00 61.22 C ATOM 480 O ILE A 31 5.517 9.174 1.606 1.00 71.44 O ATOM 481 CB ILE A 31 3.952 6.240 0.998 1.00 3.31 C ATOM 482 CG1 ILE A 31 5.433 5.970 0.720 1.00 40.41 C ATOM 483 CG2 ILE A 31 3.149 6.290 -0.298 1.00 42.45 C ATOM 484 CD1 ILE A 31 5.688 4.675 -0.022 1.00 73.05 C ATOM 0 H ILE A 31 1.710 7.456 1.451 1.00 35.34 H new ATOM 0 HA ILE A 31 4.278 7.380 2.800 1.00 73.11 H new ATOM 0 HB ILE A 31 3.565 5.408 1.587 1.00 3.31 H new ATOM 0 HG12 ILE A 31 5.841 6.797 0.139 1.00 40.41 H new ATOM 0 HG13 ILE A 31 5.973 5.948 1.667 1.00 40.41 H new ATOM 0 HG21 ILE A 31 3.310 5.371 -0.861 1.00 42.45 H new ATOM 0 HG22 ILE A 31 2.089 6.392 -0.066 1.00 42.45 H new ATOM 0 HG23 ILE A 31 3.474 7.143 -0.894 1.00 42.45 H new ATOM 0 HD11 ILE A 31 6.759 4.553 -0.183 1.00 73.05 H new ATOM 0 HD12 ILE A 31 5.311 3.838 0.566 1.00 73.05 H new ATOM 0 HD13 ILE A 31 5.177 4.701 -0.985 1.00 73.05 H new ATOM 496 N GLN A 32 3.741 9.417 0.263 1.00 53.21 N ATOM 497 CA GLN A 32 4.288 10.537 -0.539 1.00 50.11 C ATOM 498 C GLN A 32 4.486 11.787 0.347 1.00 23.45 C ATOM 499 O GLN A 32 5.520 12.434 0.307 1.00 64.11 O ATOM 500 CB GLN A 32 3.277 10.844 -1.677 1.00 3.22 C ATOM 501 CG GLN A 32 3.795 11.519 -2.959 1.00 11.23 C ATOM 502 CD GLN A 32 4.472 12.855 -2.754 1.00 15.13 C ATOM 503 OE1 GLN A 32 3.817 13.899 -2.741 1.00 24.14 O ATOM 504 NE2 GLN A 32 5.765 12.840 -2.674 1.00 30.12 N ATOM 0 H GLN A 32 2.777 9.180 0.028 1.00 53.21 H new ATOM 0 HA GLN A 32 5.258 10.264 -0.954 1.00 50.11 H new ATOM 0 HB2 GLN A 32 2.807 9.904 -1.965 1.00 3.22 H new ATOM 0 HB3 GLN A 32 2.494 11.478 -1.262 1.00 3.22 H new ATOM 0 HG2 GLN A 32 4.498 10.844 -3.447 1.00 11.23 H new ATOM 0 HG3 GLN A 32 2.957 11.655 -3.643 1.00 11.23 H new ATOM 0 HE21 GLN A 32 6.267 11.952 -2.689 1.00 30.12 H new ATOM 0 HE22 GLN A 32 6.281 13.716 -2.596 1.00 30.12 H new ATOM 513 N ASN A 33 3.505 12.067 1.194 1.00 44.55 N ATOM 514 CA ASN A 33 3.502 13.294 2.018 1.00 1.21 C ATOM 515 C ASN A 33 4.382 13.120 3.278 1.00 4.21 C ATOM 516 O ASN A 33 4.460 14.000 4.129 1.00 73.12 O ATOM 517 CB ASN A 33 2.038 13.641 2.393 1.00 12.04 C ATOM 518 CG ASN A 33 1.826 14.959 3.128 1.00 21.32 C ATOM 519 OD1 ASN A 33 2.532 15.938 2.924 1.00 2.04 O ATOM 520 ND2 ASN A 33 0.823 14.988 3.982 1.00 13.43 N ATOM 0 H ASN A 33 2.693 11.466 1.337 1.00 44.55 H new ATOM 0 HA ASN A 33 3.930 14.118 1.446 1.00 1.21 H new ATOM 0 HB2 ASN A 33 1.445 13.660 1.478 1.00 12.04 H new ATOM 0 HB3 ASN A 33 1.643 12.836 3.013 1.00 12.04 H new ATOM 0 HD21 ASN A 33 0.616 15.844 4.496 1.00 13.43 H new ATOM 0 HD22 ASN A 33 0.254 14.154 4.129 1.00 13.43 H new ATOM 527 N GLY A 34 5.052 11.976 3.384 1.00 1.25 N ATOM 528 CA GLY A 34 5.941 11.748 4.499 1.00 2.41 C ATOM 529 C GLY A 34 5.201 11.502 5.786 1.00 14.01 C ATOM 530 O GLY A 34 5.636 11.912 6.859 1.00 71.32 O ATOM 0 H GLY A 34 4.992 11.207 2.717 1.00 1.25 H new ATOM 0 HA2 GLY A 34 6.579 10.892 4.281 1.00 2.41 H new ATOM 0 HA3 GLY A 34 6.596 12.611 4.620 1.00 2.41 H new ATOM 534 N GLN A 35 4.089 10.795 5.692 1.00 0.25 N ATOM 535 CA GLN A 35 3.288 10.491 6.865 1.00 42.41 C ATOM 536 C GLN A 35 3.743 9.152 7.408 1.00 71.03 C ATOM 537 O GLN A 35 3.210 8.621 8.382 1.00 55.22 O ATOM 538 CB GLN A 35 1.799 10.452 6.510 1.00 31.33 C ATOM 539 CG GLN A 35 1.309 11.714 5.808 1.00 72.04 C ATOM 540 CD GLN A 35 -0.181 11.730 5.522 1.00 23.44 C ATOM 541 OE1 GLN A 35 -0.625 12.354 4.568 1.00 72.21 O ATOM 542 NE2 GLN A 35 -0.959 11.051 6.331 1.00 53.44 N ATOM 0 H GLN A 35 3.720 10.421 4.818 1.00 0.25 H new ATOM 0 HA GLN A 35 3.422 11.266 7.619 1.00 42.41 H new ATOM 0 HB2 GLN A 35 1.609 9.592 5.869 1.00 31.33 H new ATOM 0 HB3 GLN A 35 1.220 10.304 7.421 1.00 31.33 H new ATOM 0 HG2 GLN A 35 1.558 12.578 6.424 1.00 72.04 H new ATOM 0 HG3 GLN A 35 1.849 11.826 4.868 1.00 72.04 H new ATOM 0 HE21 GLN A 35 -0.556 10.541 7.117 1.00 53.44 H new ATOM 0 HE22 GLN A 35 -1.967 11.033 6.174 1.00 53.44 H new ATOM 551 N THR A 36 4.704 8.604 6.730 1.00 42.52 N ATOM 552 CA THR A 36 5.329 7.406 7.072 1.00 73.04 C ATOM 553 C THR A 36 6.774 7.458 6.574 1.00 71.53 C ATOM 554 O THR A 36 7.030 7.769 5.415 1.00 52.31 O ATOM 555 CB THR A 36 4.534 6.245 6.425 1.00 23.35 C ATOM 556 OG1 THR A 36 3.403 5.933 7.220 1.00 2.31 O ATOM 557 CG2 THR A 36 5.374 5.025 6.154 1.00 62.03 C ATOM 0 H THR A 36 5.079 9.021 5.878 1.00 42.52 H new ATOM 0 HA THR A 36 5.347 7.249 8.150 1.00 73.04 H new ATOM 0 HB THR A 36 4.199 6.589 5.446 1.00 23.35 H new ATOM 0 HG1 THR A 36 3.223 6.672 7.837 1.00 2.31 H new ATOM 0 HG21 THR A 36 4.755 4.251 5.701 1.00 62.03 H new ATOM 0 HG22 THR A 36 6.185 5.285 5.474 1.00 62.03 H new ATOM 0 HG23 THR A 36 5.791 4.655 7.091 1.00 62.03 H new ATOM 565 N PHE A 37 7.690 7.207 7.471 1.00 72.31 N ATOM 566 CA PHE A 37 9.096 7.153 7.173 1.00 52.11 C ATOM 567 C PHE A 37 9.657 5.848 7.685 1.00 61.32 C ATOM 568 O PHE A 37 9.051 5.221 8.558 1.00 73.03 O ATOM 569 CB PHE A 37 9.851 8.368 7.776 1.00 32.21 C ATOM 570 CG PHE A 37 9.728 8.524 9.279 1.00 30.20 C ATOM 571 CD1 PHE A 37 8.687 9.257 9.830 1.00 0.42 C ATOM 572 CD2 PHE A 37 10.658 7.944 10.134 1.00 35.22 C ATOM 573 CE1 PHE A 37 8.574 9.407 11.200 1.00 52.25 C ATOM 574 CE2 PHE A 37 10.548 8.092 11.503 1.00 64.42 C ATOM 575 CZ PHE A 37 9.505 8.823 12.036 1.00 40.31 C ATOM 0 H PHE A 37 7.474 7.030 8.452 1.00 72.31 H new ATOM 0 HA PHE A 37 9.234 7.204 6.093 1.00 52.11 H new ATOM 0 HB2 PHE A 37 10.907 8.282 7.521 1.00 32.21 H new ATOM 0 HB3 PHE A 37 9.482 9.277 7.301 1.00 32.21 H new ATOM 0 HD1 PHE A 37 7.956 9.716 9.181 1.00 0.42 H new ATOM 0 HD2 PHE A 37 11.476 7.371 9.723 1.00 35.22 H new ATOM 0 HE1 PHE A 37 7.759 9.980 11.616 1.00 52.25 H new ATOM 0 HE2 PHE A 37 11.277 7.636 12.156 1.00 64.42 H new ATOM 0 HZ PHE A 37 9.417 8.938 13.106 1.00 40.31 H new ATOM 585 N ASP A 38 10.777 5.437 7.164 1.00 1.03 N ATOM 586 CA ASP A 38 11.452 4.257 7.674 1.00 15.32 C ATOM 587 C ASP A 38 12.560 4.728 8.606 1.00 22.33 C ATOM 588 O ASP A 38 12.973 5.892 8.531 1.00 51.33 O ATOM 589 CB ASP A 38 12.024 3.408 6.531 1.00 22.22 C ATOM 590 CG ASP A 38 12.677 2.115 7.009 1.00 55.04 C ATOM 591 OD1 ASP A 38 13.862 2.138 7.373 1.00 34.04 O ATOM 592 OD2 ASP A 38 12.003 1.069 7.022 1.00 11.04 O ATOM 0 H ASP A 38 11.250 5.895 6.385 1.00 1.03 H new ATOM 0 HA ASP A 38 10.746 3.625 8.212 1.00 15.32 H new ATOM 0 HB2 ASP A 38 11.224 3.166 5.832 1.00 22.22 H new ATOM 0 HB3 ASP A 38 12.759 3.997 5.983 1.00 22.22 H new ATOM 597 N TYR A 39 13.055 3.844 9.444 1.00 53.34 N ATOM 598 CA TYR A 39 14.054 4.176 10.445 1.00 0.45 C ATOM 599 C TYR A 39 15.386 4.594 9.827 1.00 14.11 C ATOM 600 O TYR A 39 16.135 5.352 10.429 1.00 53.14 O ATOM 601 CB TYR A 39 14.269 3.001 11.406 1.00 73.41 C ATOM 602 CG TYR A 39 13.041 2.621 12.203 1.00 34.04 C ATOM 603 CD1 TYR A 39 12.724 3.287 13.378 1.00 12.30 C ATOM 604 CD2 TYR A 39 12.198 1.599 11.780 1.00 23.24 C ATOM 605 CE1 TYR A 39 11.606 2.946 14.113 1.00 3.34 C ATOM 606 CE2 TYR A 39 11.078 1.251 12.509 1.00 1.40 C ATOM 607 CZ TYR A 39 10.788 1.929 13.675 1.00 35.30 C ATOM 608 OH TYR A 39 9.675 1.585 14.406 1.00 62.53 O ATOM 0 H TYR A 39 12.775 2.863 9.453 1.00 53.34 H new ATOM 0 HA TYR A 39 13.668 5.032 10.999 1.00 0.45 H new ATOM 0 HB2 TYR A 39 14.600 2.134 10.834 1.00 73.41 H new ATOM 0 HB3 TYR A 39 15.073 3.253 12.097 1.00 73.41 H new ATOM 0 HD1 TYR A 39 13.363 4.086 13.724 1.00 12.30 H new ATOM 0 HD2 TYR A 39 12.423 1.069 10.866 1.00 23.24 H new ATOM 0 HE1 TYR A 39 11.375 3.474 15.026 1.00 3.34 H new ATOM 0 HE2 TYR A 39 10.434 0.454 12.169 1.00 1.40 H new ATOM 0 HH TYR A 39 9.205 0.850 13.960 1.00 62.53 H new ATOM 618 N LYS A 40 15.677 4.115 8.629 1.00 62.52 N ATOM 619 CA LYS A 40 16.942 4.472 7.986 1.00 44.01 C ATOM 620 C LYS A 40 16.790 5.691 7.069 1.00 74.33 C ATOM 621 O LYS A 40 17.735 6.071 6.388 1.00 74.05 O ATOM 622 CB LYS A 40 17.509 3.280 7.205 1.00 1.35 C ATOM 623 CG LYS A 40 16.555 2.747 6.168 1.00 61.04 C ATOM 624 CD LYS A 40 17.106 1.563 5.419 1.00 35.42 C ATOM 625 CE LYS A 40 16.026 0.983 4.537 1.00 31.24 C ATOM 626 NZ LYS A 40 16.517 -0.085 3.669 1.00 14.03 N ATOM 0 H LYS A 40 15.075 3.493 8.089 1.00 62.52 H new ATOM 0 HA LYS A 40 17.644 4.739 8.776 1.00 44.01 H new ATOM 0 HB2 LYS A 40 18.436 3.581 6.717 1.00 1.35 H new ATOM 0 HB3 LYS A 40 17.761 2.482 7.903 1.00 1.35 H new ATOM 0 HG2 LYS A 40 15.622 2.461 6.653 1.00 61.04 H new ATOM 0 HG3 LYS A 40 16.316 3.540 5.459 1.00 61.04 H new ATOM 0 HD2 LYS A 40 17.961 1.866 4.815 1.00 35.42 H new ATOM 0 HD3 LYS A 40 17.463 0.809 6.120 1.00 35.42 H new ATOM 0 HE2 LYS A 40 15.221 0.596 5.162 1.00 31.24 H new ATOM 0 HE3 LYS A 40 15.599 1.776 3.923 1.00 31.24 H new ATOM 0 HZ1 LYS A 40 15.844 -0.237 2.891 1.00 14.03 H new ATOM 0 HZ2 LYS A 40 17.443 0.183 3.279 1.00 14.03 H new ATOM 0 HZ3 LYS A 40 16.614 -0.962 4.219 1.00 14.03 H new ATOM 640 N SER A 41 15.594 6.295 7.081 1.00 51.44 N ATOM 641 CA SER A 41 15.285 7.514 6.314 1.00 11.11 C ATOM 642 C SER A 41 15.558 7.353 4.786 1.00 72.14 C ATOM 643 O SER A 41 15.791 8.342 4.073 1.00 52.51 O ATOM 644 CB SER A 41 16.064 8.715 6.909 1.00 64.32 C ATOM 645 OG SER A 41 15.709 9.937 6.283 1.00 45.53 O ATOM 0 H SER A 41 14.805 5.950 7.628 1.00 51.44 H new ATOM 0 HA SER A 41 14.215 7.702 6.404 1.00 11.11 H new ATOM 0 HB2 SER A 41 15.864 8.783 7.978 1.00 64.32 H new ATOM 0 HB3 SER A 41 17.135 8.546 6.795 1.00 64.32 H new ATOM 0 HG SER A 41 15.605 9.793 5.319 1.00 45.53 H new ATOM 651 N ASN A 42 15.453 6.129 4.295 1.00 74.43 N ATOM 652 CA ASN A 42 15.664 5.824 2.873 1.00 60.50 C ATOM 653 C ASN A 42 14.564 6.448 2.025 1.00 65.41 C ATOM 654 O ASN A 42 13.449 6.632 2.515 1.00 21.52 O ATOM 655 CB ASN A 42 15.707 4.303 2.592 1.00 64.24 C ATOM 656 CG ASN A 42 14.431 3.557 2.985 1.00 73.21 C ATOM 657 OD1 ASN A 42 13.803 3.860 3.986 1.00 43.15 O ATOM 658 ND2 ASN A 42 14.021 2.618 2.178 1.00 34.45 N ATOM 0 H ASN A 42 15.220 5.314 4.863 1.00 74.43 H new ATOM 0 HA ASN A 42 16.633 6.247 2.608 1.00 60.50 H new ATOM 0 HB2 ASN A 42 15.894 4.146 1.530 1.00 64.24 H new ATOM 0 HB3 ASN A 42 16.549 3.869 3.131 1.00 64.24 H new ATOM 0 HD21 ASN A 42 13.155 2.117 2.377 1.00 34.45 H new ATOM 0 HD22 ASN A 42 14.566 2.385 1.348 1.00 34.45 H new ATOM 665 N PRO A 43 14.881 6.880 0.775 1.00 14.04 N ATOM 666 CA PRO A 43 13.880 7.397 -0.153 1.00 55.55 C ATOM 667 C PRO A 43 12.694 6.440 -0.303 1.00 33.41 C ATOM 668 O PRO A 43 12.776 5.398 -0.958 1.00 44.32 O ATOM 669 CB PRO A 43 14.636 7.543 -1.471 1.00 72.52 C ATOM 670 CG PRO A 43 16.048 7.744 -1.064 1.00 33.12 C ATOM 671 CD PRO A 43 16.242 6.932 0.190 1.00 13.33 C ATOM 0 HA PRO A 43 13.448 8.336 0.193 1.00 55.55 H new ATOM 0 HB2 PRO A 43 14.524 6.656 -2.094 1.00 72.52 H new ATOM 0 HB3 PRO A 43 14.265 8.388 -2.051 1.00 72.52 H new ATOM 0 HG2 PRO A 43 16.730 7.417 -1.849 1.00 33.12 H new ATOM 0 HG3 PRO A 43 16.254 8.799 -0.881 1.00 33.12 H new ATOM 0 HD2 PRO A 43 16.623 5.935 -0.031 1.00 13.33 H new ATOM 0 HD3 PRO A 43 16.954 7.403 0.868 1.00 13.33 H new ATOM 679 N TYR A 44 11.641 6.780 0.382 1.00 63.15 N ATOM 680 CA TYR A 44 10.417 6.024 0.408 1.00 44.25 C ATOM 681 C TYR A 44 9.412 6.574 -0.575 1.00 54.01 C ATOM 682 O TYR A 44 8.353 6.008 -0.761 1.00 20.34 O ATOM 683 CB TYR A 44 9.832 5.954 1.840 1.00 41.11 C ATOM 684 CG TYR A 44 9.682 7.300 2.543 1.00 0.15 C ATOM 685 CD1 TYR A 44 8.616 8.148 2.270 1.00 44.30 C ATOM 686 CD2 TYR A 44 10.613 7.712 3.492 1.00 31.22 C ATOM 687 CE1 TYR A 44 8.485 9.362 2.914 1.00 24.44 C ATOM 688 CE2 TYR A 44 10.488 8.922 4.140 1.00 52.31 C ATOM 689 CZ TYR A 44 9.424 9.744 3.848 1.00 62.43 C ATOM 690 OH TYR A 44 9.298 10.950 4.497 1.00 41.24 O ATOM 0 H TYR A 44 11.607 7.620 0.959 1.00 63.15 H new ATOM 0 HA TYR A 44 10.650 5.005 0.100 1.00 44.25 H new ATOM 0 HB2 TYR A 44 8.854 5.475 1.794 1.00 41.11 H new ATOM 0 HB3 TYR A 44 10.472 5.314 2.447 1.00 41.11 H new ATOM 0 HD1 TYR A 44 7.876 7.852 1.541 1.00 44.30 H new ATOM 0 HD2 TYR A 44 11.450 7.071 3.725 1.00 31.22 H new ATOM 0 HE1 TYR A 44 7.651 10.009 2.687 1.00 24.44 H new ATOM 0 HE2 TYR A 44 11.221 9.223 4.873 1.00 52.31 H new ATOM 0 HH TYR A 44 10.043 11.064 5.123 1.00 41.24 H new ATOM 700 N ASP A 45 9.753 7.665 -1.217 1.00 32.43 N ATOM 701 CA ASP A 45 8.799 8.351 -2.064 1.00 23.24 C ATOM 702 C ASP A 45 8.680 7.664 -3.417 1.00 21.12 C ATOM 703 O ASP A 45 9.648 7.065 -3.933 1.00 12.12 O ATOM 704 CB ASP A 45 9.160 9.828 -2.210 1.00 35.31 C ATOM 705 CG ASP A 45 8.146 10.583 -3.041 1.00 64.12 C ATOM 706 OD1 ASP A 45 6.924 10.350 -2.851 1.00 73.44 O ATOM 707 OD2 ASP A 45 8.550 11.377 -3.885 1.00 1.41 O ATOM 0 H ASP A 45 10.676 8.097 -1.172 1.00 32.43 H new ATOM 0 HA ASP A 45 7.821 8.301 -1.585 1.00 23.24 H new ATOM 0 HB2 ASP A 45 9.229 10.283 -1.222 1.00 35.31 H new ATOM 0 HB3 ASP A 45 10.144 9.916 -2.671 1.00 35.31 H new ATOM 712 N ILE A 46 7.490 7.741 -3.954 1.00 24.22 N ATOM 713 CA ILE A 46 7.066 7.004 -5.122 1.00 5.41 C ATOM 714 C ILE A 46 7.779 7.466 -6.373 1.00 5.41 C ATOM 715 O ILE A 46 7.620 8.589 -6.820 1.00 41.31 O ATOM 716 CB ILE A 46 5.537 7.107 -5.277 1.00 61.22 C ATOM 717 CG1 ILE A 46 4.885 6.544 -4.007 1.00 41.43 C ATOM 718 CG2 ILE A 46 5.058 6.352 -6.523 1.00 21.15 C ATOM 719 CD1 ILE A 46 3.397 6.674 -3.961 1.00 44.02 C ATOM 0 H ILE A 46 6.758 8.343 -3.576 1.00 24.22 H new ATOM 0 HA ILE A 46 7.336 5.958 -4.980 1.00 5.41 H new ATOM 0 HB ILE A 46 5.249 8.150 -5.407 1.00 61.22 H new ATOM 0 HG12 ILE A 46 5.147 5.490 -3.917 1.00 41.43 H new ATOM 0 HG13 ILE A 46 5.308 7.053 -3.141 1.00 41.43 H new ATOM 0 HG21 ILE A 46 3.975 6.441 -6.608 1.00 21.15 H new ATOM 0 HG22 ILE A 46 5.528 6.778 -7.410 1.00 21.15 H new ATOM 0 HG23 ILE A 46 5.330 5.300 -6.438 1.00 21.15 H new ATOM 0 HD11 ILE A 46 3.023 6.250 -3.029 1.00 44.02 H new ATOM 0 HD12 ILE A 46 3.122 7.727 -4.017 1.00 44.02 H new ATOM 0 HD13 ILE A 46 2.959 6.140 -4.804 1.00 44.02 H new ATOM 731 N SER A 47 8.523 6.568 -6.956 1.00 31.13 N ATOM 732 CA SER A 47 9.322 6.888 -8.089 1.00 22.41 C ATOM 733 C SER A 47 8.554 6.576 -9.385 1.00 72.22 C ATOM 734 O SER A 47 8.744 7.236 -10.400 1.00 63.14 O ATOM 735 CB SER A 47 10.592 6.055 -7.997 1.00 70.43 C ATOM 736 OG SER A 47 11.115 6.118 -6.667 1.00 11.32 O ATOM 0 H SER A 47 8.588 5.596 -6.654 1.00 31.13 H new ATOM 0 HA SER A 47 9.568 7.950 -8.105 1.00 22.41 H new ATOM 0 HB2 SER A 47 10.380 5.020 -8.266 1.00 70.43 H new ATOM 0 HB3 SER A 47 11.332 6.424 -8.707 1.00 70.43 H new ATOM 0 HG SER A 47 11.932 5.579 -6.611 1.00 11.32 H new ATOM 742 N VAL A 48 7.658 5.581 -9.339 1.00 41.25 N ATOM 743 CA VAL A 48 6.815 5.268 -10.491 1.00 53.21 C ATOM 744 C VAL A 48 5.415 4.926 -9.994 1.00 21.11 C ATOM 745 O VAL A 48 5.263 4.125 -9.075 1.00 21.41 O ATOM 746 CB VAL A 48 7.353 4.023 -11.294 1.00 51.01 C ATOM 747 CG1 VAL A 48 6.489 3.735 -12.519 1.00 14.32 C ATOM 748 CG2 VAL A 48 8.813 4.188 -11.711 1.00 34.23 C ATOM 0 H VAL A 48 7.502 4.987 -8.524 1.00 41.25 H new ATOM 0 HA VAL A 48 6.815 6.137 -11.148 1.00 53.21 H new ATOM 0 HB VAL A 48 7.295 3.172 -10.615 1.00 51.01 H new ATOM 0 HG11 VAL A 48 6.888 2.871 -13.050 1.00 14.32 H new ATOM 0 HG12 VAL A 48 5.467 3.527 -12.203 1.00 14.32 H new ATOM 0 HG13 VAL A 48 6.495 4.602 -13.180 1.00 14.32 H new ATOM 0 HG21 VAL A 48 9.136 3.304 -12.261 1.00 34.23 H new ATOM 0 HG22 VAL A 48 8.913 5.068 -12.347 1.00 34.23 H new ATOM 0 HG23 VAL A 48 9.433 4.310 -10.823 1.00 34.23 H new ATOM 758 N ASN A 49 4.414 5.531 -10.575 1.00 52.03 N ATOM 759 CA ASN A 49 3.030 5.211 -10.267 1.00 3.01 C ATOM 760 C ASN A 49 2.346 4.689 -11.517 1.00 54.33 C ATOM 761 O ASN A 49 2.571 5.234 -12.597 1.00 21.30 O ATOM 762 CB ASN A 49 2.253 6.421 -9.671 1.00 35.01 C ATOM 763 CG ASN A 49 1.931 7.537 -10.666 1.00 71.54 C ATOM 764 OD1 ASN A 49 0.889 7.523 -11.316 1.00 55.02 O ATOM 765 ND2 ASN A 49 2.802 8.517 -10.766 1.00 54.14 N ATOM 0 H ASN A 49 4.526 6.262 -11.277 1.00 52.03 H new ATOM 0 HA ASN A 49 3.027 4.440 -9.497 1.00 3.01 H new ATOM 0 HB2 ASN A 49 1.320 6.058 -9.241 1.00 35.01 H new ATOM 0 HB3 ASN A 49 2.838 6.842 -8.853 1.00 35.01 H new ATOM 0 HD21 ASN A 49 2.622 9.297 -11.398 1.00 54.14 H new ATOM 0 HD22 ASN A 49 3.658 8.497 -10.211 1.00 54.14 H new ATOM 772 N LYS A 50 1.609 3.605 -11.434 1.00 22.42 N ATOM 773 CA LYS A 50 0.800 3.236 -12.571 1.00 22.24 C ATOM 774 C LYS A 50 -0.642 3.219 -12.104 1.00 65.22 C ATOM 775 O LYS A 50 -0.930 2.754 -10.992 1.00 54.15 O ATOM 776 CB LYS A 50 1.112 1.791 -13.076 1.00 1.35 C ATOM 777 CG LYS A 50 2.582 1.390 -13.283 1.00 15.52 C ATOM 778 CD LYS A 50 3.296 1.127 -11.959 1.00 51.13 C ATOM 779 CE LYS A 50 4.578 0.332 -12.127 1.00 50.15 C ATOM 780 NZ LYS A 50 4.322 -1.060 -12.610 1.00 30.23 N ATOM 0 H LYS A 50 1.552 2.985 -10.626 1.00 22.42 H new ATOM 0 HA LYS A 50 0.999 3.944 -13.375 1.00 22.24 H new ATOM 0 HB2 LYS A 50 0.673 1.089 -12.366 1.00 1.35 H new ATOM 0 HB3 LYS A 50 0.593 1.652 -14.024 1.00 1.35 H new ATOM 0 HG2 LYS A 50 2.630 0.496 -13.904 1.00 15.52 H new ATOM 0 HG3 LYS A 50 3.101 2.182 -13.824 1.00 15.52 H new ATOM 0 HD2 LYS A 50 3.525 2.079 -11.480 1.00 51.13 H new ATOM 0 HD3 LYS A 50 2.625 0.587 -11.291 1.00 51.13 H new ATOM 0 HE2 LYS A 50 5.231 0.845 -12.833 1.00 50.15 H new ATOM 0 HE3 LYS A 50 5.106 0.293 -11.174 1.00 50.15 H new ATOM 0 HZ1 LYS A 50 5.032 -1.704 -12.206 1.00 30.23 H new ATOM 0 HZ2 LYS A 50 3.372 -1.362 -12.312 1.00 30.23 H new ATOM 0 HZ3 LYS A 50 4.383 -1.084 -13.648 1.00 30.23 H new ATOM 794 N ASN A 51 -1.530 3.714 -12.918 1.00 11.31 N ATOM 795 CA ASN A 51 -2.952 3.588 -12.681 1.00 72.40 C ATOM 796 C ASN A 51 -3.581 2.719 -13.737 1.00 11.51 C ATOM 797 O ASN A 51 -3.467 3.031 -14.914 1.00 3.54 O ATOM 798 CB ASN A 51 -3.667 4.937 -12.542 1.00 75.13 C ATOM 799 CG ASN A 51 -3.344 5.653 -11.237 1.00 40.45 C ATOM 800 OD1 ASN A 51 -2.332 6.500 -11.233 1.00 52.12 O flip ATOM 801 ND2 ASN A 51 -4.012 5.445 -10.242 1.00 64.30 N flip ATOM 0 H ASN A 51 -1.293 4.220 -13.771 1.00 11.31 H new ATOM 0 HA ASN A 51 -3.075 3.101 -11.713 1.00 72.40 H new ATOM 0 HB2 ASN A 51 -3.388 5.577 -13.379 1.00 75.13 H new ATOM 0 HB3 ASN A 51 -4.744 4.779 -12.606 1.00 75.13 H new ATOM 0 HD21 ASN A 51 -4.788 4.784 -10.278 1.00 64.30 H new ATOM 0 HD22 ASN A 51 -3.796 5.932 -9.372 1.00 64.30 H new ATOM 808 N ASN A 52 -4.250 1.668 -13.351 1.00 53.21 N ATOM 809 CA ASN A 52 -4.897 0.789 -14.330 1.00 24.52 C ATOM 810 C ASN A 52 -6.414 0.926 -14.246 1.00 43.51 C ATOM 811 O ASN A 52 -7.164 0.178 -14.864 1.00 75.30 O ATOM 812 CB ASN A 52 -4.489 -0.682 -14.122 1.00 45.30 C ATOM 813 CG ASN A 52 -2.989 -0.937 -14.268 1.00 75.00 C ATOM 814 OD1 ASN A 52 -2.286 -0.253 -15.012 1.00 53.20 O ATOM 815 ND2 ASN A 52 -2.497 -1.912 -13.558 1.00 12.42 N ATOM 0 H ASN A 52 -4.370 1.387 -12.378 1.00 53.21 H new ATOM 0 HA ASN A 52 -4.564 1.096 -15.321 1.00 24.52 H new ATOM 0 HB2 ASN A 52 -4.806 -0.999 -13.129 1.00 45.30 H new ATOM 0 HB3 ASN A 52 -5.024 -1.302 -14.841 1.00 45.30 H new ATOM 0 HD21 ASN A 52 -1.501 -2.128 -13.609 1.00 12.42 H new ATOM 0 HD22 ASN A 52 -3.107 -2.460 -12.951 1.00 12.42 H new ATOM 822 N GLY A 53 -6.872 1.865 -13.426 1.00 3.32 N ATOM 823 CA GLY A 53 -8.300 2.161 -13.322 1.00 62.43 C ATOM 824 C GLY A 53 -9.053 1.216 -12.391 1.00 54.25 C ATOM 825 O GLY A 53 -9.937 1.639 -11.614 1.00 12.41 O ATOM 0 H GLY A 53 -6.278 2.435 -12.824 1.00 3.32 H new ATOM 0 HA2 GLY A 53 -8.426 3.184 -12.967 1.00 62.43 H new ATOM 0 HA3 GLY A 53 -8.746 2.111 -14.315 1.00 62.43 H new ATOM 829 N THR A 54 -8.765 -0.048 -12.483 1.00 54.41 N ATOM 830 CA THR A 54 -9.382 -1.002 -11.610 1.00 43.11 C ATOM 831 C THR A 54 -8.348 -1.548 -10.629 1.00 20.43 C ATOM 832 O THR A 54 -8.637 -2.423 -9.802 1.00 63.22 O ATOM 833 CB THR A 54 -10.116 -2.132 -12.395 1.00 2.11 C ATOM 834 OG1 THR A 54 -10.850 -2.966 -11.491 1.00 32.14 O ATOM 835 CG2 THR A 54 -9.150 -2.977 -13.220 1.00 2.31 C ATOM 0 H THR A 54 -8.106 -0.443 -13.154 1.00 54.41 H new ATOM 0 HA THR A 54 -10.158 -0.495 -11.038 1.00 43.11 H new ATOM 0 HB THR A 54 -10.806 -1.652 -13.088 1.00 2.11 H new ATOM 0 HG1 THR A 54 -10.362 -3.040 -10.644 1.00 32.14 H new ATOM 0 HG21 THR A 54 -9.705 -3.751 -13.750 1.00 2.31 H new ATOM 0 HG22 THR A 54 -8.635 -2.342 -13.941 1.00 2.31 H new ATOM 0 HG23 THR A 54 -8.418 -3.442 -12.560 1.00 2.31 H new ATOM 843 N ASP A 55 -7.168 -1.004 -10.731 1.00 71.24 N ATOM 844 CA ASP A 55 -6.052 -1.297 -9.878 1.00 61.32 C ATOM 845 C ASP A 55 -5.001 -0.260 -10.091 1.00 31.52 C ATOM 846 O ASP A 55 -5.055 0.470 -11.080 1.00 23.42 O ATOM 847 CB ASP A 55 -5.504 -2.741 -10.030 1.00 42.35 C ATOM 848 CG ASP A 55 -5.312 -3.227 -11.431 1.00 72.33 C ATOM 849 OD1 ASP A 55 -6.278 -3.826 -11.983 1.00 2.33 O ATOM 850 OD2 ASP A 55 -4.227 -3.099 -11.960 1.00 74.24 O ATOM 0 H ASP A 55 -6.948 -0.311 -11.446 1.00 71.24 H new ATOM 0 HA ASP A 55 -6.398 -1.259 -8.845 1.00 61.32 H new ATOM 0 HB2 ASP A 55 -4.547 -2.801 -9.512 1.00 42.35 H new ATOM 0 HB3 ASP A 55 -6.186 -3.422 -9.521 1.00 42.35 H new ATOM 855 N ALA A 56 -4.133 -0.109 -9.140 1.00 53.11 N ATOM 856 CA ALA A 56 -3.063 0.859 -9.213 1.00 71.35 C ATOM 857 C ALA A 56 -1.862 0.324 -8.480 1.00 60.32 C ATOM 858 O ALA A 56 -2.011 -0.384 -7.477 1.00 53.54 O ATOM 859 CB ALA A 56 -3.489 2.208 -8.652 1.00 4.11 C ATOM 0 H ALA A 56 -4.140 -0.656 -8.279 1.00 53.11 H new ATOM 0 HA ALA A 56 -2.806 1.020 -10.260 1.00 71.35 H new ATOM 0 HB1 ALA A 56 -2.659 2.910 -8.724 1.00 4.11 H new ATOM 0 HB2 ALA A 56 -4.336 2.588 -9.223 1.00 4.11 H new ATOM 0 HB3 ALA A 56 -3.778 2.093 -7.607 1.00 4.11 H new ATOM 865 N GLU A 57 -0.701 0.642 -8.969 1.00 14.14 N ATOM 866 CA GLU A 57 0.531 0.145 -8.409 1.00 41.33 C ATOM 867 C GLU A 57 1.500 1.309 -8.254 1.00 63.40 C ATOM 868 O GLU A 57 1.714 2.064 -9.204 1.00 1.32 O ATOM 869 CB GLU A 57 1.132 -0.868 -9.373 1.00 62.53 C ATOM 870 CG GLU A 57 2.372 -1.586 -8.878 1.00 64.54 C ATOM 871 CD GLU A 57 3.193 -2.087 -10.037 1.00 44.22 C ATOM 872 OE1 GLU A 57 2.622 -2.434 -11.092 1.00 24.44 O ATOM 873 OE2 GLU A 57 4.422 -2.025 -9.982 1.00 44.12 O ATOM 0 H GLU A 57 -0.576 1.257 -9.773 1.00 14.14 H new ATOM 0 HA GLU A 57 0.345 -0.322 -7.442 1.00 41.33 H new ATOM 0 HB2 GLU A 57 0.372 -1.613 -9.609 1.00 62.53 H new ATOM 0 HB3 GLU A 57 1.377 -0.356 -10.304 1.00 62.53 H new ATOM 0 HG2 GLU A 57 2.970 -0.910 -8.267 1.00 64.54 H new ATOM 0 HG3 GLU A 57 2.085 -2.422 -8.241 1.00 64.54 H new ATOM 880 N ILE A 58 2.048 1.483 -7.088 1.00 62.01 N ATOM 881 CA ILE A 58 3.032 2.479 -6.871 1.00 50.34 C ATOM 882 C ILE A 58 4.329 1.849 -6.421 1.00 3.03 C ATOM 883 O ILE A 58 4.331 0.956 -5.559 1.00 72.02 O ATOM 884 CB ILE A 58 2.615 3.601 -5.886 1.00 75.30 C ATOM 885 CG1 ILE A 58 2.018 3.093 -4.543 1.00 22.34 C ATOM 886 CG2 ILE A 58 1.712 4.625 -6.558 1.00 12.41 C ATOM 887 CD1 ILE A 58 0.539 2.752 -4.576 1.00 54.02 C ATOM 0 H ILE A 58 1.818 0.931 -6.262 1.00 62.01 H new ATOM 0 HA ILE A 58 3.162 2.969 -7.836 1.00 50.34 H new ATOM 0 HB ILE A 58 3.545 4.096 -5.606 1.00 75.30 H new ATOM 0 HG12 ILE A 58 2.571 2.207 -4.231 1.00 22.34 H new ATOM 0 HG13 ILE A 58 2.181 3.855 -3.781 1.00 22.34 H new ATOM 0 HG21 ILE A 58 1.439 5.397 -5.839 1.00 12.41 H new ATOM 0 HG22 ILE A 58 2.239 5.080 -7.396 1.00 12.41 H new ATOM 0 HG23 ILE A 58 0.810 4.132 -6.921 1.00 12.41 H new ATOM 0 HD11 ILE A 58 0.223 2.408 -3.591 1.00 54.02 H new ATOM 0 HD12 ILE A 58 -0.033 3.638 -4.852 1.00 54.02 H new ATOM 0 HD13 ILE A 58 0.363 1.964 -5.309 1.00 54.02 H new ATOM 899 N VAL A 59 5.416 2.283 -7.028 1.00 61.24 N ATOM 900 CA VAL A 59 6.731 1.770 -6.728 1.00 33.11 C ATOM 901 C VAL A 59 7.652 2.902 -6.292 1.00 72.23 C ATOM 902 O VAL A 59 7.830 3.889 -7.020 1.00 24.12 O ATOM 903 CB VAL A 59 7.367 1.041 -7.953 1.00 64.55 C ATOM 904 CG1 VAL A 59 8.744 0.477 -7.607 1.00 63.53 C ATOM 905 CG2 VAL A 59 6.460 -0.067 -8.458 1.00 2.52 C ATOM 0 H VAL A 59 5.408 3.006 -7.747 1.00 61.24 H new ATOM 0 HA VAL A 59 6.616 1.047 -5.920 1.00 33.11 H new ATOM 0 HB VAL A 59 7.488 1.779 -8.746 1.00 64.55 H new ATOM 0 HG11 VAL A 59 9.161 -0.025 -8.480 1.00 63.53 H new ATOM 0 HG12 VAL A 59 9.405 1.290 -7.305 1.00 63.53 H new ATOM 0 HG13 VAL A 59 8.650 -0.237 -6.789 1.00 63.53 H new ATOM 0 HG21 VAL A 59 6.927 -0.559 -9.312 1.00 2.52 H new ATOM 0 HG22 VAL A 59 6.298 -0.795 -7.663 1.00 2.52 H new ATOM 0 HG23 VAL A 59 5.503 0.357 -8.762 1.00 2.52 H new ATOM 915 N SER A 60 8.201 2.767 -5.128 1.00 34.21 N ATOM 916 CA SER A 60 9.156 3.700 -4.594 1.00 25.34 C ATOM 917 C SER A 60 10.504 2.991 -4.549 1.00 70.32 C ATOM 918 O SER A 60 10.544 1.766 -4.374 1.00 1.12 O ATOM 919 CB SER A 60 8.741 4.094 -3.187 1.00 40.32 C ATOM 920 OG SER A 60 7.364 4.436 -3.132 1.00 52.12 O ATOM 0 H SER A 60 7.997 1.988 -4.502 1.00 34.21 H new ATOM 0 HA SER A 60 9.211 4.599 -5.208 1.00 25.34 H new ATOM 0 HB2 SER A 60 8.941 3.270 -2.502 1.00 40.32 H new ATOM 0 HB3 SER A 60 9.342 4.940 -2.852 1.00 40.32 H new ATOM 0 HG SER A 60 7.204 5.026 -2.366 1.00 52.12 H new ATOM 926 N ALA A 61 11.583 3.708 -4.712 1.00 21.04 N ATOM 927 CA ALA A 61 12.890 3.082 -4.721 1.00 1.04 C ATOM 928 C ALA A 61 13.891 3.895 -3.931 1.00 21.44 C ATOM 929 O ALA A 61 13.830 5.124 -3.917 1.00 24.14 O ATOM 930 CB ALA A 61 13.374 2.886 -6.152 1.00 3.40 C ATOM 0 H ALA A 61 11.590 4.720 -4.840 1.00 21.04 H new ATOM 0 HA ALA A 61 12.800 2.106 -4.244 1.00 1.04 H new ATOM 0 HB1 ALA A 61 14.357 2.415 -6.142 1.00 3.40 H new ATOM 0 HB2 ALA A 61 12.672 2.249 -6.690 1.00 3.40 H new ATOM 0 HB3 ALA A 61 13.440 3.854 -6.649 1.00 3.40 H new ATOM 936 N SER A 62 14.779 3.209 -3.256 1.00 44.23 N ATOM 937 CA SER A 62 15.830 3.837 -2.511 1.00 11.11 C ATOM 938 C SER A 62 17.139 3.756 -3.300 1.00 20.21 C ATOM 939 O SER A 62 17.369 2.792 -4.027 1.00 1.23 O ATOM 940 CB SER A 62 15.960 3.144 -1.173 1.00 62.25 C ATOM 941 OG SER A 62 14.727 3.191 -0.474 1.00 73.15 O ATOM 0 H SER A 62 14.789 2.190 -3.211 1.00 44.23 H new ATOM 0 HA SER A 62 15.600 4.889 -2.344 1.00 11.11 H new ATOM 0 HB2 SER A 62 16.263 2.107 -1.320 1.00 62.25 H new ATOM 0 HB3 SER A 62 16.740 3.623 -0.581 1.00 62.25 H new ATOM 0 HG SER A 62 14.213 3.971 -0.770 1.00 73.15 H new ATOM 947 N ASP A 63 17.972 4.760 -3.160 1.00 2.31 N ATOM 948 CA ASP A 63 19.232 4.859 -3.900 1.00 32.21 C ATOM 949 C ASP A 63 20.349 4.099 -3.191 1.00 2.20 C ATOM 950 O ASP A 63 21.224 3.523 -3.833 1.00 52.15 O ATOM 951 CB ASP A 63 19.625 6.342 -4.013 1.00 72.32 C ATOM 952 CG ASP A 63 19.868 6.974 -2.645 1.00 44.02 C ATOM 953 OD1 ASP A 63 18.988 6.803 -1.744 1.00 53.43 O ATOM 954 OD2 ASP A 63 20.923 7.569 -2.441 1.00 51.21 O ATOM 0 H ASP A 63 17.804 5.543 -2.528 1.00 2.31 H new ATOM 0 HA ASP A 63 19.092 4.420 -4.888 1.00 32.21 H new ATOM 0 HB2 ASP A 63 20.526 6.433 -4.620 1.00 72.32 H new ATOM 0 HB3 ASP A 63 18.836 6.888 -4.530 1.00 72.32 H new ATOM 959 N SER A 64 20.288 4.054 -1.877 1.00 20.23 N ATOM 960 CA SER A 64 21.287 3.351 -1.109 1.00 5.55 C ATOM 961 C SER A 64 20.925 1.876 -1.010 1.00 12.35 C ATOM 962 O SER A 64 21.791 1.011 -0.843 1.00 43.33 O ATOM 963 CB SER A 64 21.442 3.990 0.288 1.00 31.12 C ATOM 964 OG SER A 64 22.488 3.376 1.037 1.00 53.42 O ATOM 0 H SER A 64 19.556 4.497 -1.321 1.00 20.23 H new ATOM 0 HA SER A 64 22.249 3.430 -1.616 1.00 5.55 H new ATOM 0 HB2 SER A 64 21.649 5.055 0.180 1.00 31.12 H new ATOM 0 HB3 SER A 64 20.503 3.902 0.835 1.00 31.12 H new ATOM 0 HG SER A 64 22.558 3.807 1.914 1.00 53.42 H new ATOM 970 N ASP A 65 19.655 1.587 -1.139 1.00 51.14 N ATOM 971 CA ASP A 65 19.187 0.231 -1.055 1.00 32.13 C ATOM 972 C ASP A 65 18.716 -0.236 -2.389 1.00 43.24 C ATOM 973 O ASP A 65 17.571 -0.009 -2.762 1.00 33.24 O ATOM 974 CB ASP A 65 18.029 0.065 -0.092 1.00 13.34 C ATOM 975 CG ASP A 65 18.338 0.231 1.355 1.00 70.31 C ATOM 976 OD1 ASP A 65 18.701 -0.754 2.002 1.00 45.40 O ATOM 977 OD2 ASP A 65 18.078 1.307 1.907 1.00 21.31 O ATOM 0 H ASP A 65 18.924 2.279 -1.304 1.00 51.14 H new ATOM 0 HA ASP A 65 20.035 -0.354 -0.697 1.00 32.13 H new ATOM 0 HB2 ASP A 65 17.256 0.785 -0.360 1.00 13.34 H new ATOM 0 HB3 ASP A 65 17.604 -0.928 -0.238 1.00 13.34 H new ATOM 982 N SER A 66 19.578 -0.896 -3.107 1.00 13.34 N ATOM 983 CA SER A 66 19.230 -1.448 -4.402 1.00 3.11 C ATOM 984 C SER A 66 18.192 -2.582 -4.253 1.00 42.34 C ATOM 985 O SER A 66 17.516 -2.944 -5.207 1.00 11.14 O ATOM 986 CB SER A 66 20.498 -1.948 -5.121 1.00 74.04 C ATOM 987 OG SER A 66 20.207 -2.457 -6.411 1.00 23.12 O ATOM 0 H SER A 66 20.541 -1.071 -2.820 1.00 13.34 H new ATOM 0 HA SER A 66 18.777 -0.663 -5.008 1.00 3.11 H new ATOM 0 HB2 SER A 66 21.214 -1.130 -5.206 1.00 74.04 H new ATOM 0 HB3 SER A 66 20.972 -2.726 -4.522 1.00 74.04 H new ATOM 0 HG SER A 66 21.035 -2.763 -6.836 1.00 23.12 H new ATOM 993 N THR A 67 18.075 -3.117 -3.054 1.00 55.13 N ATOM 994 CA THR A 67 17.185 -4.218 -2.806 1.00 54.10 C ATOM 995 C THR A 67 15.887 -3.756 -2.113 1.00 32.52 C ATOM 996 O THR A 67 14.978 -4.563 -1.897 1.00 44.11 O ATOM 997 CB THR A 67 17.897 -5.324 -1.954 1.00 2.33 C ATOM 998 OG1 THR A 67 17.037 -6.450 -1.757 1.00 45.23 O ATOM 999 CG2 THR A 67 18.342 -4.780 -0.594 1.00 73.24 C ATOM 0 H THR A 67 18.593 -2.799 -2.234 1.00 55.13 H new ATOM 0 HA THR A 67 16.912 -4.642 -3.772 1.00 54.10 H new ATOM 0 HB THR A 67 18.779 -5.640 -2.511 1.00 2.33 H new ATOM 0 HG1 THR A 67 16.109 -6.144 -1.681 1.00 45.23 H new ATOM 0 HG21 THR A 67 18.832 -5.572 -0.028 1.00 73.24 H new ATOM 0 HG22 THR A 67 19.039 -3.955 -0.742 1.00 73.24 H new ATOM 0 HG23 THR A 67 17.472 -4.425 -0.042 1.00 73.24 H new ATOM 1007 N ASP A 68 15.778 -2.481 -1.797 1.00 61.40 N ATOM 1008 CA ASP A 68 14.610 -2.005 -1.067 1.00 31.41 C ATOM 1009 C ASP A 68 13.782 -1.135 -1.978 1.00 72.23 C ATOM 1010 O ASP A 68 14.124 0.023 -2.250 1.00 43.03 O ATOM 1011 CB ASP A 68 15.021 -1.232 0.197 1.00 11.52 C ATOM 1012 CG ASP A 68 13.902 -0.974 1.210 1.00 54.42 C ATOM 1013 OD1 ASP A 68 12.703 -0.985 0.853 1.00 61.41 O ATOM 1014 OD2 ASP A 68 14.230 -0.757 2.415 1.00 23.41 O ATOM 0 H ASP A 68 16.467 -1.765 -2.027 1.00 61.40 H new ATOM 0 HA ASP A 68 14.019 -2.862 -0.745 1.00 31.41 H new ATOM 0 HB2 ASP A 68 15.817 -1.784 0.696 1.00 11.52 H new ATOM 0 HB3 ASP A 68 15.440 -0.273 -0.106 1.00 11.52 H new ATOM 1019 N SER A 69 12.766 -1.721 -2.521 1.00 52.00 N ATOM 1020 CA SER A 69 11.852 -1.034 -3.354 1.00 31.54 C ATOM 1021 C SER A 69 10.457 -1.332 -2.863 1.00 72.04 C ATOM 1022 O SER A 69 10.125 -2.483 -2.558 1.00 41.52 O ATOM 1023 CB SER A 69 12.059 -1.435 -4.821 1.00 44.11 C ATOM 1024 OG SER A 69 12.138 -2.847 -4.966 1.00 64.51 O ATOM 0 H SER A 69 12.549 -2.709 -2.392 1.00 52.00 H new ATOM 0 HA SER A 69 12.016 0.043 -3.307 1.00 31.54 H new ATOM 0 HB2 SER A 69 11.236 -1.051 -5.424 1.00 44.11 H new ATOM 0 HB3 SER A 69 12.973 -0.977 -5.200 1.00 44.11 H new ATOM 0 HG SER A 69 12.268 -3.072 -5.911 1.00 64.51 H new ATOM 1030 N LEU A 70 9.675 -0.318 -2.759 1.00 51.32 N ATOM 1031 CA LEU A 70 8.353 -0.423 -2.229 1.00 65.14 C ATOM 1032 C LEU A 70 7.384 -0.549 -3.379 1.00 60.52 C ATOM 1033 O LEU A 70 7.278 0.349 -4.191 1.00 34.55 O ATOM 1034 CB LEU A 70 8.088 0.819 -1.323 1.00 30.15 C ATOM 1035 CG LEU A 70 6.718 0.994 -0.617 1.00 62.53 C ATOM 1036 CD1 LEU A 70 5.643 1.469 -1.580 1.00 11.32 C ATOM 1037 CD2 LEU A 70 6.291 -0.286 0.088 1.00 32.43 C ATOM 0 H LEU A 70 9.935 0.626 -3.043 1.00 51.32 H new ATOM 0 HA LEU A 70 8.225 -1.309 -1.607 1.00 65.14 H new ATOM 0 HB2 LEU A 70 8.854 0.822 -0.547 1.00 30.15 H new ATOM 0 HB3 LEU A 70 8.251 1.706 -1.935 1.00 30.15 H new ATOM 0 HG LEU A 70 6.845 1.769 0.139 1.00 62.53 H new ATOM 0 HD11 LEU A 70 4.699 1.579 -1.046 1.00 11.32 H new ATOM 0 HD12 LEU A 70 5.934 2.430 -2.005 1.00 11.32 H new ATOM 0 HD13 LEU A 70 5.524 0.739 -2.381 1.00 11.32 H new ATOM 0 HD21 LEU A 70 5.327 -0.130 0.573 1.00 32.43 H new ATOM 0 HD22 LEU A 70 6.204 -1.092 -0.641 1.00 32.43 H new ATOM 0 HD23 LEU A 70 7.035 -0.554 0.838 1.00 32.43 H new ATOM 1049 N GLN A 71 6.734 -1.674 -3.468 1.00 61.20 N ATOM 1050 CA GLN A 71 5.759 -1.917 -4.500 1.00 65.23 C ATOM 1051 C GLN A 71 4.428 -2.234 -3.853 1.00 24.44 C ATOM 1052 O GLN A 71 4.302 -3.244 -3.150 1.00 41.03 O ATOM 1053 CB GLN A 71 6.223 -3.097 -5.365 1.00 72.41 C ATOM 1054 CG GLN A 71 5.216 -3.569 -6.412 1.00 1.22 C ATOM 1055 CD GLN A 71 5.696 -4.793 -7.180 1.00 32.23 C ATOM 1056 OE1 GLN A 71 6.993 -4.913 -7.369 1.00 35.22 O flip ATOM 1057 NE2 GLN A 71 4.905 -5.626 -7.599 1.00 60.22 N flip ATOM 0 H GLN A 71 6.864 -2.455 -2.825 1.00 61.20 H new ATOM 0 HA GLN A 71 5.650 -1.036 -5.132 1.00 65.23 H new ATOM 0 HB2 GLN A 71 7.146 -2.815 -5.872 1.00 72.41 H new ATOM 0 HB3 GLN A 71 6.463 -3.935 -4.710 1.00 72.41 H new ATOM 0 HG2 GLN A 71 4.270 -3.801 -5.922 1.00 1.22 H new ATOM 0 HG3 GLN A 71 5.021 -2.758 -7.114 1.00 1.22 H new ATOM 0 HE21 GLN A 71 3.905 -5.506 -7.437 1.00 60.22 H new ATOM 0 HE22 GLN A 71 5.245 -6.440 -8.110 1.00 60.22 H new ATOM 1066 N VAL A 72 3.451 -1.392 -4.076 1.00 2.43 N ATOM 1067 CA VAL A 72 2.126 -1.611 -3.540 1.00 4.13 C ATOM 1068 C VAL A 72 1.150 -1.683 -4.679 1.00 53.23 C ATOM 1069 O VAL A 72 1.045 -0.744 -5.468 1.00 51.35 O ATOM 1070 CB VAL A 72 1.665 -0.458 -2.585 1.00 65.53 C ATOM 1071 CG1 VAL A 72 0.275 -0.730 -2.015 1.00 63.10 C ATOM 1072 CG2 VAL A 72 2.655 -0.235 -1.464 1.00 64.04 C ATOM 0 H VAL A 72 3.547 -0.541 -4.630 1.00 2.43 H new ATOM 0 HA VAL A 72 2.157 -2.538 -2.967 1.00 4.13 H new ATOM 0 HB VAL A 72 1.619 0.451 -3.184 1.00 65.53 H new ATOM 0 HG11 VAL A 72 -0.015 0.089 -1.357 1.00 63.10 H new ATOM 0 HG12 VAL A 72 -0.443 -0.811 -2.831 1.00 63.10 H new ATOM 0 HG13 VAL A 72 0.289 -1.662 -1.450 1.00 63.10 H new ATOM 0 HG21 VAL A 72 2.302 0.572 -0.822 1.00 64.04 H new ATOM 0 HG22 VAL A 72 2.753 -1.149 -0.878 1.00 64.04 H new ATOM 0 HG23 VAL A 72 3.625 0.033 -1.883 1.00 64.04 H new ATOM 1082 N ALA A 73 0.443 -2.768 -4.753 1.00 14.51 N ATOM 1083 CA ALA A 73 -0.573 -2.949 -5.737 1.00 44.25 C ATOM 1084 C ALA A 73 -1.909 -2.961 -5.040 1.00 72.33 C ATOM 1085 O ALA A 73 -2.077 -3.631 -4.013 1.00 0.42 O ATOM 1086 CB ALA A 73 -0.352 -4.246 -6.504 1.00 51.20 C ATOM 0 H ALA A 73 0.559 -3.562 -4.123 1.00 14.51 H new ATOM 0 HA ALA A 73 -0.541 -2.133 -6.459 1.00 44.25 H new ATOM 0 HB1 ALA A 73 -1.138 -4.366 -7.250 1.00 51.20 H new ATOM 0 HB2 ALA A 73 0.618 -4.214 -7.000 1.00 51.20 H new ATOM 0 HB3 ALA A 73 -0.378 -5.087 -5.811 1.00 51.20 H new ATOM 1092 N MET A 74 -2.829 -2.210 -5.556 1.00 0.34 N ATOM 1093 CA MET A 74 -4.157 -2.117 -4.993 1.00 65.42 C ATOM 1094 C MET A 74 -5.093 -2.658 -6.010 1.00 51.52 C ATOM 1095 O MET A 74 -5.019 -2.260 -7.152 1.00 72.42 O ATOM 1096 CB MET A 74 -4.557 -0.669 -4.778 1.00 2.10 C ATOM 1097 CG MET A 74 -3.559 0.183 -4.062 1.00 42.11 C ATOM 1098 SD MET A 74 -4.143 1.863 -3.902 1.00 61.42 S ATOM 1099 CE MET A 74 -2.677 2.633 -3.293 1.00 44.04 C ATOM 0 H MET A 74 -2.688 -1.635 -6.387 1.00 0.34 H new ATOM 0 HA MET A 74 -4.182 -2.652 -4.043 1.00 65.42 H new ATOM 0 HB2 MET A 74 -4.759 -0.220 -5.750 1.00 2.10 H new ATOM 0 HB3 MET A 74 -5.492 -0.649 -4.217 1.00 2.10 H new ATOM 0 HG2 MET A 74 -3.364 -0.233 -3.074 1.00 42.11 H new ATOM 0 HG3 MET A 74 -2.613 0.174 -4.604 1.00 42.11 H new ATOM 0 HE1 MET A 74 -2.747 3.712 -3.434 1.00 44.04 H new ATOM 0 HE2 MET A 74 -2.564 2.413 -2.231 1.00 44.04 H new ATOM 0 HE3 MET A 74 -1.813 2.251 -3.836 1.00 44.04 H new ATOM 1109 N LYS A 75 -5.956 -3.533 -5.620 1.00 73.13 N ATOM 1110 CA LYS A 75 -6.892 -4.107 -6.541 1.00 4.35 C ATOM 1111 C LYS A 75 -8.292 -3.737 -6.131 1.00 33.30 C ATOM 1112 O LYS A 75 -8.674 -3.952 -4.985 1.00 74.32 O ATOM 1113 CB LYS A 75 -6.753 -5.631 -6.576 1.00 25.31 C ATOM 1114 CG LYS A 75 -7.607 -6.304 -7.645 1.00 11.11 C ATOM 1115 CD LYS A 75 -7.141 -5.878 -9.037 1.00 61.11 C ATOM 1116 CE LYS A 75 -7.965 -6.468 -10.163 1.00 1.11 C ATOM 1117 NZ LYS A 75 -7.415 -6.074 -11.495 1.00 32.24 N ATOM 0 H LYS A 75 -6.037 -3.873 -4.662 1.00 73.13 H new ATOM 0 HA LYS A 75 -6.684 -3.717 -7.537 1.00 4.35 H new ATOM 0 HB2 LYS A 75 -5.707 -5.887 -6.746 1.00 25.31 H new ATOM 0 HB3 LYS A 75 -7.025 -6.034 -5.600 1.00 25.31 H new ATOM 0 HG2 LYS A 75 -7.539 -7.387 -7.546 1.00 11.11 H new ATOM 0 HG3 LYS A 75 -8.654 -6.036 -7.506 1.00 11.11 H new ATOM 0 HD2 LYS A 75 -7.175 -4.791 -9.105 1.00 61.11 H new ATOM 0 HD3 LYS A 75 -6.100 -6.173 -9.168 1.00 61.11 H new ATOM 0 HE2 LYS A 75 -7.977 -7.555 -10.078 1.00 1.11 H new ATOM 0 HE3 LYS A 75 -8.998 -6.130 -10.078 1.00 1.11 H new ATOM 0 HZ1 LYS A 75 -8.197 -5.942 -12.168 1.00 32.24 H new ATOM 0 HZ2 LYS A 75 -6.884 -5.184 -11.402 1.00 32.24 H new ATOM 0 HZ3 LYS A 75 -6.781 -6.821 -11.843 1.00 32.24 H new ATOM 1131 N LYS A 76 -9.040 -3.187 -7.049 1.00 11.35 N ATOM 1132 CA LYS A 76 -10.402 -2.816 -6.793 1.00 24.10 C ATOM 1133 C LYS A 76 -11.299 -4.010 -7.032 1.00 54.55 C ATOM 1134 O LYS A 76 -11.251 -4.639 -8.097 1.00 32.30 O ATOM 1135 CB LYS A 76 -10.811 -1.664 -7.705 1.00 43.21 C ATOM 1136 CG LYS A 76 -12.226 -1.124 -7.485 1.00 64.44 C ATOM 1137 CD LYS A 76 -12.511 0.043 -8.426 1.00 1.31 C ATOM 1138 CE LYS A 76 -12.581 -0.406 -9.876 1.00 35.33 C ATOM 1139 NZ LYS A 76 -12.603 0.745 -10.817 1.00 53.03 N ATOM 0 H LYS A 76 -8.720 -2.984 -7.996 1.00 11.35 H new ATOM 0 HA LYS A 76 -10.500 -2.491 -5.757 1.00 24.10 H new ATOM 0 HB2 LYS A 76 -10.103 -0.846 -7.569 1.00 43.21 H new ATOM 0 HB3 LYS A 76 -10.723 -1.993 -8.740 1.00 43.21 H new ATOM 0 HG2 LYS A 76 -12.954 -1.918 -7.652 1.00 64.44 H new ATOM 0 HG3 LYS A 76 -12.340 -0.800 -6.451 1.00 64.44 H new ATOM 0 HD2 LYS A 76 -13.453 0.514 -8.146 1.00 1.31 H new ATOM 0 HD3 LYS A 76 -11.732 0.797 -8.316 1.00 1.31 H new ATOM 0 HE2 LYS A 76 -11.724 -1.041 -10.100 1.00 35.33 H new ATOM 0 HE3 LYS A 76 -13.474 -1.012 -10.025 1.00 35.33 H new ATOM 0 HZ1 LYS A 76 -13.061 0.458 -11.706 1.00 53.03 H new ATOM 0 HZ2 LYS A 76 -13.135 1.531 -10.392 1.00 53.03 H new ATOM 0 HZ3 LYS A 76 -11.629 1.052 -11.013 1.00 53.03 H new ATOM 1153 N LEU A 77 -12.076 -4.314 -6.053 1.00 23.15 N ATOM 1154 CA LEU A 77 -13.024 -5.388 -6.098 1.00 51.21 C ATOM 1155 C LEU A 77 -14.392 -4.819 -6.446 1.00 50.21 C ATOM 1156 O LEU A 77 -14.720 -3.700 -6.038 1.00 3.54 O ATOM 1157 CB LEU A 77 -13.084 -6.156 -4.751 1.00 31.53 C ATOM 1158 CG LEU A 77 -11.946 -7.156 -4.429 1.00 43.54 C ATOM 1159 CD1 LEU A 77 -10.603 -6.470 -4.252 1.00 25.44 C ATOM 1160 CD2 LEU A 77 -12.289 -7.969 -3.192 1.00 35.40 C ATOM 0 H LEU A 77 -12.075 -3.810 -5.166 1.00 23.15 H new ATOM 0 HA LEU A 77 -12.710 -6.102 -6.860 1.00 51.21 H new ATOM 0 HB2 LEU A 77 -13.117 -5.419 -3.948 1.00 31.53 H new ATOM 0 HB3 LEU A 77 -14.026 -6.703 -4.721 1.00 31.53 H new ATOM 0 HG LEU A 77 -11.856 -7.823 -5.286 1.00 43.54 H new ATOM 0 HD11 LEU A 77 -9.840 -7.216 -4.028 1.00 25.44 H new ATOM 0 HD12 LEU A 77 -10.339 -5.945 -5.170 1.00 25.44 H new ATOM 0 HD13 LEU A 77 -10.665 -5.756 -3.431 1.00 25.44 H new ATOM 0 HD21 LEU A 77 -11.479 -8.667 -2.979 1.00 35.40 H new ATOM 0 HD22 LEU A 77 -12.424 -7.300 -2.342 1.00 35.40 H new ATOM 0 HD23 LEU A 77 -13.211 -8.525 -3.366 1.00 35.40 H new ATOM 1172 N PRO A 78 -15.227 -5.582 -7.179 1.00 23.25 N ATOM 1173 CA PRO A 78 -16.557 -5.120 -7.644 1.00 61.44 C ATOM 1174 C PRO A 78 -17.565 -4.891 -6.504 1.00 51.14 C ATOM 1175 O PRO A 78 -18.668 -4.431 -6.731 1.00 14.41 O ATOM 1176 CB PRO A 78 -17.030 -6.260 -8.559 1.00 13.12 C ATOM 1177 CG PRO A 78 -16.277 -7.459 -8.102 1.00 64.23 C ATOM 1178 CD PRO A 78 -14.939 -6.961 -7.635 1.00 54.34 C ATOM 0 HA PRO A 78 -16.486 -4.150 -8.136 1.00 61.44 H new ATOM 0 HB2 PRO A 78 -18.106 -6.414 -8.474 1.00 13.12 H new ATOM 0 HB3 PRO A 78 -16.821 -6.038 -9.606 1.00 13.12 H new ATOM 0 HG2 PRO A 78 -16.806 -7.967 -7.296 1.00 64.23 H new ATOM 0 HG3 PRO A 78 -16.163 -8.179 -8.912 1.00 64.23 H new ATOM 0 HD2 PRO A 78 -14.540 -7.576 -6.828 1.00 54.34 H new ATOM 0 HD3 PRO A 78 -14.203 -6.973 -8.439 1.00 54.34 H new ATOM 1186 N ASN A 79 -17.159 -5.197 -5.290 1.00 4.23 N ATOM 1187 CA ASN A 79 -18.012 -5.013 -4.114 1.00 52.41 C ATOM 1188 C ASN A 79 -17.640 -3.685 -3.438 1.00 3.55 C ATOM 1189 O ASN A 79 -18.073 -3.390 -2.335 1.00 13.34 O ATOM 1190 CB ASN A 79 -17.799 -6.170 -3.117 1.00 10.55 C ATOM 1191 CG ASN A 79 -18.849 -6.206 -2.004 1.00 72.35 C ATOM 1192 OD1 ASN A 79 -20.010 -5.897 -2.224 1.00 13.41 O ATOM 1193 ND2 ASN A 79 -18.436 -6.534 -0.804 1.00 2.24 N ATOM 0 H ASN A 79 -16.236 -5.578 -5.081 1.00 4.23 H new ATOM 0 HA ASN A 79 -19.058 -5.001 -4.422 1.00 52.41 H new ATOM 0 HB2 ASN A 79 -17.819 -7.116 -3.658 1.00 10.55 H new ATOM 0 HB3 ASN A 79 -16.809 -6.079 -2.671 1.00 10.55 H new ATOM 0 HD21 ASN A 79 -19.091 -6.536 -0.022 1.00 2.24 H new ATOM 0 HD22 ASN A 79 -17.460 -6.787 -0.652 1.00 2.24 H new ATOM 1200 N ASN A 80 -16.833 -2.878 -4.147 1.00 25.04 N ATOM 1201 CA ASN A 80 -16.299 -1.598 -3.628 1.00 62.34 C ATOM 1202 C ASN A 80 -15.340 -1.873 -2.494 1.00 64.30 C ATOM 1203 O ASN A 80 -15.265 -1.137 -1.525 1.00 71.24 O ATOM 1204 CB ASN A 80 -17.413 -0.611 -3.184 1.00 12.51 C ATOM 1205 CG ASN A 80 -18.258 -0.096 -4.332 1.00 24.35 C ATOM 1206 OD1 ASN A 80 -17.946 0.922 -4.938 1.00 4.53 O ATOM 1207 ND2 ASN A 80 -19.334 -0.782 -4.631 1.00 74.43 N ATOM 0 H ASN A 80 -16.530 -3.091 -5.097 1.00 25.04 H new ATOM 0 HA ASN A 80 -15.771 -1.108 -4.446 1.00 62.34 H new ATOM 0 HB2 ASN A 80 -18.060 -1.108 -2.461 1.00 12.51 H new ATOM 0 HB3 ASN A 80 -16.955 0.235 -2.673 1.00 12.51 H new ATOM 0 HD21 ASN A 80 -19.942 -0.472 -5.389 1.00 74.43 H new ATOM 0 HD22 ASN A 80 -19.564 -1.625 -4.105 1.00 74.43 H new ATOM 1214 N ALA A 81 -14.582 -2.927 -2.667 1.00 63.33 N ATOM 1215 CA ALA A 81 -13.579 -3.352 -1.720 1.00 3.32 C ATOM 1216 C ALA A 81 -12.238 -3.253 -2.407 1.00 2.51 C ATOM 1217 O ALA A 81 -12.191 -3.187 -3.629 1.00 51.04 O ATOM 1218 CB ALA A 81 -13.848 -4.780 -1.275 1.00 62.01 C ATOM 0 H ALA A 81 -14.646 -3.528 -3.489 1.00 63.33 H new ATOM 0 HA ALA A 81 -13.597 -2.722 -0.831 1.00 3.32 H new ATOM 0 HB1 ALA A 81 -13.084 -5.089 -0.561 1.00 62.01 H new ATOM 0 HB2 ALA A 81 -14.829 -4.835 -0.804 1.00 62.01 H new ATOM 0 HB3 ALA A 81 -13.823 -5.442 -2.141 1.00 62.01 H new ATOM 1224 N THR A 82 -11.167 -3.232 -1.663 1.00 62.23 N ATOM 1225 CA THR A 82 -9.864 -3.086 -2.256 1.00 1.02 C ATOM 1226 C THR A 82 -8.838 -3.976 -1.548 1.00 35.11 C ATOM 1227 O THR A 82 -8.786 -4.037 -0.318 1.00 55.11 O ATOM 1228 CB THR A 82 -9.411 -1.616 -2.163 1.00 63.40 C ATOM 1229 OG1 THR A 82 -10.446 -0.780 -2.661 1.00 55.43 O ATOM 1230 CG2 THR A 82 -8.150 -1.365 -2.977 1.00 61.33 C ATOM 0 H THR A 82 -11.169 -3.314 -0.646 1.00 62.23 H new ATOM 0 HA THR A 82 -9.929 -3.389 -3.301 1.00 1.02 H new ATOM 0 HB THR A 82 -9.197 -1.394 -1.118 1.00 63.40 H new ATOM 0 HG1 THR A 82 -11.005 -0.473 -1.917 1.00 55.43 H new ATOM 0 HG21 THR A 82 -7.861 -0.318 -2.887 1.00 61.33 H new ATOM 0 HG22 THR A 82 -7.344 -1.997 -2.604 1.00 61.33 H new ATOM 0 HG23 THR A 82 -8.340 -1.600 -4.024 1.00 61.33 H new ATOM 1238 N ARG A 83 -8.054 -4.673 -2.314 1.00 61.41 N ATOM 1239 CA ARG A 83 -6.990 -5.475 -1.773 1.00 51.23 C ATOM 1240 C ARG A 83 -5.665 -4.799 -2.006 1.00 42.44 C ATOM 1241 O ARG A 83 -5.397 -4.329 -3.096 1.00 63.10 O ATOM 1242 CB ARG A 83 -6.987 -6.909 -2.333 1.00 24.24 C ATOM 1243 CG ARG A 83 -5.667 -7.649 -2.092 1.00 74.24 C ATOM 1244 CD ARG A 83 -5.741 -9.103 -2.475 1.00 63.32 C ATOM 1245 NE ARG A 83 -4.389 -9.674 -2.703 1.00 11.14 N ATOM 1246 CZ ARG A 83 -4.109 -10.973 -2.890 1.00 52.50 C ATOM 1247 NH1 ARG A 83 -5.079 -11.893 -2.773 1.00 45.43 N ATOM 1248 NH2 ARG A 83 -2.859 -11.352 -3.187 1.00 53.32 N ATOM 0 H ARG A 83 -8.131 -4.704 -3.331 1.00 61.41 H new ATOM 0 HA ARG A 83 -7.160 -5.565 -0.700 1.00 51.23 H new ATOM 0 HB2 ARG A 83 -7.800 -7.472 -1.876 1.00 24.24 H new ATOM 0 HB3 ARG A 83 -7.186 -6.874 -3.404 1.00 24.24 H new ATOM 0 HG2 ARG A 83 -4.874 -7.166 -2.664 1.00 74.24 H new ATOM 0 HG3 ARG A 83 -5.396 -7.568 -1.039 1.00 74.24 H new ATOM 0 HD2 ARG A 83 -6.246 -9.663 -1.688 1.00 63.32 H new ATOM 0 HD3 ARG A 83 -6.341 -9.213 -3.379 1.00 63.32 H new ATOM 0 HE ARG A 83 -3.605 -9.022 -2.719 1.00 11.14 H new ATOM 0 HH11 ARG A 83 -6.030 -11.605 -2.542 1.00 45.43 H new ATOM 0 HH12 ARG A 83 -4.865 -12.880 -2.915 1.00 45.43 H new ATOM 0 HH21 ARG A 83 -2.121 -10.653 -3.271 1.00 53.32 H new ATOM 0 HH22 ARG A 83 -2.646 -12.339 -3.329 1.00 53.32 H new ATOM 1262 N ILE A 84 -4.854 -4.740 -0.984 1.00 50.42 N ATOM 1263 CA ILE A 84 -3.549 -4.172 -1.097 1.00 11.04 C ATOM 1264 C ILE A 84 -2.556 -5.283 -0.935 1.00 44.24 C ATOM 1265 O ILE A 84 -2.694 -6.161 -0.073 1.00 54.25 O ATOM 1266 CB ILE A 84 -3.302 -3.020 -0.031 1.00 73.44 C ATOM 1267 CG1 ILE A 84 -3.672 -1.658 -0.607 1.00 71.34 C ATOM 1268 CG2 ILE A 84 -1.875 -2.988 0.519 1.00 65.32 C ATOM 1269 CD1 ILE A 84 -5.126 -1.490 -0.947 1.00 12.44 C ATOM 0 H ILE A 84 -5.085 -5.086 -0.052 1.00 50.42 H new ATOM 0 HA ILE A 84 -3.440 -3.701 -2.074 1.00 11.04 H new ATOM 0 HB ILE A 84 -3.955 -3.251 0.811 1.00 73.44 H new ATOM 0 HG12 ILE A 84 -3.390 -0.887 0.110 1.00 71.34 H new ATOM 0 HG13 ILE A 84 -3.081 -1.487 -1.507 1.00 71.34 H new ATOM 0 HG21 ILE A 84 -1.781 -2.176 1.241 1.00 65.32 H new ATOM 0 HG22 ILE A 84 -1.652 -3.936 1.008 1.00 65.32 H new ATOM 0 HG23 ILE A 84 -1.173 -2.829 -0.300 1.00 65.32 H new ATOM 0 HD11 ILE A 84 -5.292 -0.491 -1.349 1.00 12.44 H new ATOM 0 HD12 ILE A 84 -5.414 -2.233 -1.690 1.00 12.44 H new ATOM 0 HD13 ILE A 84 -5.728 -1.624 -0.048 1.00 12.44 H new ATOM 1281 N SER A 85 -1.655 -5.317 -1.838 1.00 24.20 N ATOM 1282 CA SER A 85 -0.619 -6.275 -1.854 1.00 14.31 C ATOM 1283 C SER A 85 0.728 -5.590 -2.003 1.00 70.24 C ATOM 1284 O SER A 85 0.934 -4.818 -2.940 1.00 41.12 O ATOM 1285 CB SER A 85 -0.911 -7.280 -2.948 1.00 24.15 C ATOM 1286 OG SER A 85 -2.190 -7.878 -2.693 1.00 1.55 O ATOM 0 H SER A 85 -1.616 -4.656 -2.614 1.00 24.20 H new ATOM 0 HA SER A 85 -0.572 -6.819 -0.910 1.00 14.31 H new ATOM 0 HB2 SER A 85 -0.910 -6.790 -3.922 1.00 24.15 H new ATOM 0 HB3 SER A 85 -0.135 -8.045 -2.976 1.00 24.15 H new ATOM 0 HG SER A 85 -2.860 -7.485 -3.291 1.00 1.55 H new ATOM 1292 N ILE A 86 1.607 -5.829 -1.078 1.00 33.11 N ATOM 1293 CA ILE A 86 2.925 -5.238 -1.115 1.00 13.21 C ATOM 1294 C ILE A 86 3.932 -6.362 -1.227 1.00 72.41 C ATOM 1295 O ILE A 86 3.865 -7.318 -0.449 1.00 41.51 O ATOM 1296 CB ILE A 86 3.211 -4.424 0.175 1.00 62.40 C ATOM 1297 CG1 ILE A 86 2.062 -3.431 0.452 1.00 64.03 C ATOM 1298 CG2 ILE A 86 4.540 -3.693 0.043 1.00 62.24 C ATOM 1299 CD1 ILE A 86 2.263 -2.549 1.675 1.00 0.12 C ATOM 0 H ILE A 86 1.439 -6.436 -0.276 1.00 33.11 H new ATOM 0 HA ILE A 86 2.993 -4.558 -1.964 1.00 13.21 H new ATOM 0 HB ILE A 86 3.275 -5.109 1.020 1.00 62.40 H new ATOM 0 HG12 ILE A 86 1.934 -2.793 -0.422 1.00 64.03 H new ATOM 0 HG13 ILE A 86 1.136 -3.993 0.575 1.00 64.03 H new ATOM 0 HG21 ILE A 86 4.734 -3.124 0.952 1.00 62.24 H new ATOM 0 HG22 ILE A 86 5.340 -4.417 -0.109 1.00 62.24 H new ATOM 0 HG23 ILE A 86 4.499 -3.014 -0.808 1.00 62.24 H new ATOM 0 HD11 ILE A 86 1.406 -1.885 1.789 1.00 0.12 H new ATOM 0 HD12 ILE A 86 2.359 -3.174 2.563 1.00 0.12 H new ATOM 0 HD13 ILE A 86 3.168 -1.955 1.550 1.00 0.12 H new ATOM 1311 N LYS A 87 4.846 -6.289 -2.165 1.00 63.23 N ATOM 1312 CA LYS A 87 5.775 -7.380 -2.319 1.00 2.12 C ATOM 1313 C LYS A 87 7.198 -6.993 -1.984 1.00 12.41 C ATOM 1314 O LYS A 87 7.795 -6.126 -2.603 1.00 12.30 O ATOM 1315 CB LYS A 87 5.695 -8.010 -3.732 1.00 63.14 C ATOM 1316 CG LYS A 87 6.693 -9.164 -3.982 1.00 25.43 C ATOM 1317 CD LYS A 87 6.540 -10.286 -2.953 1.00 72.04 C ATOM 1318 CE LYS A 87 7.564 -11.402 -3.155 1.00 13.34 C ATOM 1319 NZ LYS A 87 7.530 -12.400 -2.045 1.00 4.51 N ATOM 0 H LYS A 87 4.965 -5.511 -2.814 1.00 63.23 H new ATOM 0 HA LYS A 87 5.471 -8.134 -1.593 1.00 2.12 H new ATOM 0 HB2 LYS A 87 4.683 -8.382 -3.892 1.00 63.14 H new ATOM 0 HB3 LYS A 87 5.869 -7.230 -4.473 1.00 63.14 H new ATOM 0 HG2 LYS A 87 6.539 -9.567 -4.983 1.00 25.43 H new ATOM 0 HG3 LYS A 87 7.711 -8.777 -3.948 1.00 25.43 H new ATOM 0 HD2 LYS A 87 6.649 -9.873 -1.950 1.00 72.04 H new ATOM 0 HD3 LYS A 87 5.535 -10.702 -3.019 1.00 72.04 H new ATOM 0 HE2 LYS A 87 7.369 -11.906 -4.102 1.00 13.34 H new ATOM 0 HE3 LYS A 87 8.562 -10.970 -3.224 1.00 13.34 H new ATOM 0 HZ1 LYS A 87 8.179 -13.183 -2.262 1.00 4.51 H new ATOM 0 HZ2 LYS A 87 7.824 -11.943 -1.158 1.00 4.51 H new ATOM 0 HZ3 LYS A 87 6.564 -12.770 -1.940 1.00 4.51 H new ATOM 1333 N TYR A 88 7.701 -7.663 -0.987 1.00 55.01 N ATOM 1334 CA TYR A 88 9.067 -7.622 -0.568 1.00 15.13 C ATOM 1335 C TYR A 88 9.590 -9.019 -0.530 1.00 4.53 C ATOM 1336 O TYR A 88 8.802 -9.969 -0.522 1.00 64.33 O ATOM 1337 CB TYR A 88 9.225 -6.958 0.785 1.00 41.52 C ATOM 1338 CG TYR A 88 9.422 -5.465 0.701 1.00 12.13 C ATOM 1339 CD1 TYR A 88 8.428 -4.627 0.220 1.00 5.44 C ATOM 1340 CD2 TYR A 88 10.606 -4.891 1.130 1.00 21.22 C ATOM 1341 CE1 TYR A 88 8.611 -3.264 0.172 1.00 10.35 C ATOM 1342 CE2 TYR A 88 10.800 -3.534 1.082 1.00 33.20 C ATOM 1343 CZ TYR A 88 9.801 -2.722 0.604 1.00 14.11 C ATOM 1344 OH TYR A 88 9.986 -1.364 0.578 1.00 45.14 O ATOM 0 H TYR A 88 7.133 -8.287 -0.414 1.00 55.01 H new ATOM 0 HA TYR A 88 9.636 -7.023 -1.279 1.00 15.13 H new ATOM 0 HB2 TYR A 88 8.342 -7.167 1.389 1.00 41.52 H new ATOM 0 HB3 TYR A 88 10.077 -7.401 1.301 1.00 41.52 H new ATOM 0 HD1 TYR A 88 7.495 -5.050 -0.122 1.00 5.44 H new ATOM 0 HD2 TYR A 88 11.393 -5.525 1.510 1.00 21.22 H new ATOM 0 HE1 TYR A 88 7.826 -2.623 -0.202 1.00 10.35 H new ATOM 0 HE2 TYR A 88 11.733 -3.107 1.418 1.00 33.20 H new ATOM 0 HH TYR A 88 10.945 -1.165 0.539 1.00 45.14 H new ATOM 1354 N GLY A 89 10.877 -9.167 -0.604 1.00 22.30 N ATOM 1355 CA GLY A 89 11.454 -10.470 -0.488 1.00 71.33 C ATOM 1356 C GLY A 89 11.788 -10.785 0.954 1.00 71.44 C ATOM 1357 O GLY A 89 10.950 -10.628 1.849 1.00 63.34 O ATOM 0 H GLY A 89 11.543 -8.408 -0.743 1.00 22.30 H new ATOM 0 HA2 GLY A 89 10.760 -11.216 -0.876 1.00 71.33 H new ATOM 0 HA3 GLY A 89 12.357 -10.528 -1.096 1.00 71.33 H new ATOM 1361 N SER A 90 13.022 -11.136 1.175 1.00 73.15 N ATOM 1362 CA SER A 90 13.563 -11.529 2.464 1.00 1.41 C ATOM 1363 C SER A 90 13.516 -10.399 3.520 1.00 4.30 C ATOM 1364 O SER A 90 13.664 -10.655 4.704 1.00 1.53 O ATOM 1365 CB SER A 90 14.992 -11.994 2.244 1.00 11.34 C ATOM 1366 OG SER A 90 15.034 -12.937 1.178 1.00 20.04 O ATOM 0 H SER A 90 13.720 -11.160 0.431 1.00 73.15 H new ATOM 0 HA SER A 90 12.943 -12.330 2.867 1.00 1.41 H new ATOM 0 HB2 SER A 90 15.630 -11.141 2.012 1.00 11.34 H new ATOM 0 HB3 SER A 90 15.382 -12.445 3.156 1.00 11.34 H new ATOM 0 HG SER A 90 15.958 -13.233 1.039 1.00 20.04 H new ATOM 1372 N GLN A 91 13.300 -9.162 3.080 1.00 60.15 N ATOM 1373 CA GLN A 91 13.380 -8.013 3.979 1.00 44.22 C ATOM 1374 C GLN A 91 12.091 -7.842 4.790 1.00 2.02 C ATOM 1375 O GLN A 91 12.081 -7.094 5.749 1.00 12.52 O ATOM 1376 CB GLN A 91 13.651 -6.696 3.209 1.00 64.01 C ATOM 1377 CG GLN A 91 14.695 -6.781 2.094 1.00 5.43 C ATOM 1378 CD GLN A 91 14.093 -7.219 0.765 1.00 43.23 C ATOM 1379 OE1 GLN A 91 13.991 -8.395 0.460 1.00 30.20 O ATOM 1380 NE2 GLN A 91 13.692 -6.270 -0.031 1.00 64.13 N ATOM 0 H GLN A 91 13.070 -8.930 2.114 1.00 60.15 H new ATOM 0 HA GLN A 91 14.213 -8.215 4.652 1.00 44.22 H new ATOM 0 HB2 GLN A 91 12.712 -6.350 2.777 1.00 64.01 H new ATOM 0 HB3 GLN A 91 13.971 -5.938 3.924 1.00 64.01 H new ATOM 0 HG2 GLN A 91 15.171 -5.808 1.971 1.00 5.43 H new ATOM 0 HG3 GLN A 91 15.476 -7.483 2.385 1.00 5.43 H new ATOM 0 HE21 GLN A 91 13.789 -5.294 0.249 1.00 64.13 H new ATOM 0 HE22 GLN A 91 13.281 -6.502 -0.935 1.00 64.13 H new ATOM 1389 N GLY A 92 11.016 -8.532 4.365 1.00 33.05 N ATOM 1390 CA GLY A 92 9.727 -8.526 5.086 1.00 41.25 C ATOM 1391 C GLY A 92 9.249 -7.146 5.542 1.00 73.03 C ATOM 1392 O GLY A 92 9.201 -6.864 6.735 1.00 45.42 O ATOM 0 H GLY A 92 11.014 -9.104 3.521 1.00 33.05 H new ATOM 0 HA2 GLY A 92 8.965 -8.963 4.441 1.00 41.25 H new ATOM 0 HA3 GLY A 92 9.814 -9.171 5.960 1.00 41.25 H new ATOM 1396 N ASN A 93 8.838 -6.307 4.595 1.00 14.22 N ATOM 1397 CA ASN A 93 8.413 -4.912 4.896 1.00 3.33 C ATOM 1398 C ASN A 93 7.185 -4.799 5.800 1.00 52.33 C ATOM 1399 O ASN A 93 6.821 -3.699 6.158 1.00 62.41 O ATOM 1400 CB ASN A 93 8.141 -4.062 3.662 1.00 70.23 C ATOM 1401 CG ASN A 93 6.761 -4.277 3.026 1.00 41.04 C ATOM 1402 OD1 ASN A 93 6.131 -3.318 2.626 1.00 43.42 O ATOM 1403 ND2 ASN A 93 6.320 -5.516 2.858 1.00 12.43 N ATOM 0 H ASN A 93 8.785 -6.554 3.607 1.00 14.22 H new ATOM 0 HA ASN A 93 9.286 -4.530 5.424 1.00 3.33 H new ATOM 0 HB2 ASN A 93 8.241 -3.011 3.932 1.00 70.23 H new ATOM 0 HB3 ASN A 93 8.907 -4.274 2.916 1.00 70.23 H new ATOM 0 HD21 ASN A 93 5.432 -5.681 2.383 1.00 12.43 H new ATOM 0 HD22 ASN A 93 6.868 -6.304 3.203 1.00 12.43 H new ATOM 1410 N SER A 94 6.551 -5.919 6.115 1.00 40.11 N ATOM 1411 CA SER A 94 5.246 -6.000 6.777 1.00 12.34 C ATOM 1412 C SER A 94 5.050 -5.036 7.987 1.00 3.32 C ATOM 1413 O SER A 94 3.922 -4.634 8.270 1.00 74.55 O ATOM 1414 CB SER A 94 5.034 -7.445 7.194 1.00 51.43 C ATOM 1415 OG SER A 94 5.276 -8.300 6.078 1.00 74.45 O ATOM 0 H SER A 94 6.944 -6.838 5.910 1.00 40.11 H new ATOM 0 HA SER A 94 4.496 -5.667 6.059 1.00 12.34 H new ATOM 0 HB2 SER A 94 5.705 -7.701 8.014 1.00 51.43 H new ATOM 0 HB3 SER A 94 4.016 -7.584 7.559 1.00 51.43 H new ATOM 0 HG SER A 94 5.141 -9.233 6.345 1.00 74.45 H new ATOM 1421 N ILE A 95 6.122 -4.647 8.665 1.00 12.14 N ATOM 1422 CA ILE A 95 6.027 -3.658 9.747 1.00 4.44 C ATOM 1423 C ILE A 95 5.607 -2.285 9.171 1.00 24.22 C ATOM 1424 O ILE A 95 4.690 -1.637 9.688 1.00 50.44 O ATOM 1425 CB ILE A 95 7.362 -3.556 10.592 1.00 51.44 C ATOM 1426 CG1 ILE A 95 7.507 -4.741 11.584 1.00 14.21 C ATOM 1427 CG2 ILE A 95 7.461 -2.230 11.351 1.00 64.50 C ATOM 1428 CD1 ILE A 95 7.527 -6.124 10.964 1.00 44.31 C ATOM 0 H ILE A 95 7.065 -4.995 8.491 1.00 12.14 H new ATOM 0 HA ILE A 95 5.258 -3.995 10.442 1.00 4.44 H new ATOM 0 HB ILE A 95 8.181 -3.602 9.874 1.00 51.44 H new ATOM 0 HG12 ILE A 95 8.428 -4.605 12.151 1.00 14.21 H new ATOM 0 HG13 ILE A 95 6.684 -4.695 12.297 1.00 14.21 H new ATOM 0 HG21 ILE A 95 8.392 -2.203 11.917 1.00 64.50 H new ATOM 0 HG22 ILE A 95 7.444 -1.403 10.642 1.00 64.50 H new ATOM 0 HG23 ILE A 95 6.618 -2.139 12.036 1.00 64.50 H new ATOM 0 HD11 ILE A 95 7.632 -6.873 11.749 1.00 44.31 H new ATOM 0 HD12 ILE A 95 6.596 -6.294 10.423 1.00 44.31 H new ATOM 0 HD13 ILE A 95 8.367 -6.201 10.274 1.00 44.31 H new ATOM 1440 N ARG A 96 6.225 -1.910 8.046 1.00 4.41 N ATOM 1441 CA ARG A 96 5.906 -0.663 7.342 1.00 33.01 C ATOM 1442 C ARG A 96 4.473 -0.740 6.852 1.00 73.51 C ATOM 1443 O ARG A 96 3.697 0.194 7.009 1.00 2.32 O ATOM 1444 CB ARG A 96 6.805 -0.464 6.097 1.00 52.51 C ATOM 1445 CG ARG A 96 8.303 -0.337 6.337 1.00 73.05 C ATOM 1446 CD ARG A 96 9.034 -0.169 4.998 1.00 63.32 C ATOM 1447 NE ARG A 96 10.482 -0.014 5.151 1.00 14.42 N ATOM 1448 CZ ARG A 96 11.406 -0.215 4.197 1.00 30.42 C ATOM 1449 NH1 ARG A 96 11.063 -0.538 2.964 1.00 31.24 N ATOM 1450 NH2 ARG A 96 12.672 -0.053 4.487 1.00 4.32 N ATOM 0 H ARG A 96 6.958 -2.460 7.599 1.00 4.41 H new ATOM 0 HA ARG A 96 6.063 0.164 8.035 1.00 33.01 H new ATOM 0 HB2 ARG A 96 6.640 -1.305 5.423 1.00 52.51 H new ATOM 0 HB3 ARG A 96 6.468 0.433 5.576 1.00 52.51 H new ATOM 0 HG2 ARG A 96 8.506 0.518 6.982 1.00 73.05 H new ATOM 0 HG3 ARG A 96 8.673 -1.222 6.855 1.00 73.05 H new ATOM 0 HD2 ARG A 96 8.832 -1.036 4.369 1.00 63.32 H new ATOM 0 HD3 ARG A 96 8.634 0.702 4.479 1.00 63.32 H new ATOM 0 HE ARG A 96 10.821 0.274 6.069 1.00 14.42 H new ATOM 0 HH11 ARG A 96 10.078 -0.640 2.719 1.00 31.24 H new ATOM 0 HH12 ARG A 96 11.783 -0.686 2.256 1.00 31.24 H new ATOM 0 HH21 ARG A 96 12.948 0.223 5.429 1.00 4.32 H new ATOM 0 HH22 ARG A 96 13.383 -0.203 3.771 1.00 4.32 H new ATOM 1464 N SER A 97 4.139 -1.893 6.283 1.00 52.44 N ATOM 1465 CA SER A 97 2.840 -2.147 5.697 1.00 11.03 C ATOM 1466 C SER A 97 1.719 -1.989 6.730 1.00 64.34 C ATOM 1467 O SER A 97 0.716 -1.348 6.465 1.00 73.10 O ATOM 1468 CB SER A 97 2.832 -3.570 5.188 1.00 24.02 C ATOM 1469 OG SER A 97 4.032 -3.865 4.503 1.00 63.33 O ATOM 0 H SER A 97 4.777 -2.686 6.218 1.00 52.44 H new ATOM 0 HA SER A 97 2.666 -1.430 4.895 1.00 11.03 H new ATOM 0 HB2 SER A 97 2.706 -4.259 6.023 1.00 24.02 H new ATOM 0 HB3 SER A 97 1.982 -3.718 4.522 1.00 24.02 H new ATOM 0 HG SER A 97 4.234 -3.144 3.871 1.00 63.33 H new ATOM 1475 N SER A 98 1.932 -2.540 7.907 1.00 51.00 N ATOM 1476 CA SER A 98 0.941 -2.518 8.959 1.00 11.32 C ATOM 1477 C SER A 98 0.680 -1.089 9.458 1.00 45.23 C ATOM 1478 O SER A 98 -0.468 -0.710 9.715 1.00 31.13 O ATOM 1479 CB SER A 98 1.380 -3.462 10.075 1.00 51.42 C ATOM 1480 OG SER A 98 1.558 -4.777 9.545 1.00 14.01 O ATOM 0 H SER A 98 2.798 -3.016 8.160 1.00 51.00 H new ATOM 0 HA SER A 98 -0.014 -2.871 8.569 1.00 11.32 H new ATOM 0 HB2 SER A 98 2.310 -3.109 10.520 1.00 51.42 H new ATOM 0 HB3 SER A 98 0.633 -3.476 10.868 1.00 51.42 H new ATOM 0 HG SER A 98 2.298 -4.773 8.902 1.00 14.01 H new ATOM 1486 N ALA A 99 1.737 -0.290 9.544 1.00 12.00 N ATOM 1487 CA ALA A 99 1.601 1.099 9.949 1.00 42.14 C ATOM 1488 C ALA A 99 0.883 1.884 8.857 1.00 53.03 C ATOM 1489 O ALA A 99 -0.007 2.696 9.138 1.00 52.00 O ATOM 1490 CB ALA A 99 2.969 1.705 10.239 1.00 32.32 C ATOM 0 H ALA A 99 2.693 -0.581 9.339 1.00 12.00 H new ATOM 0 HA ALA A 99 1.010 1.148 10.863 1.00 42.14 H new ATOM 0 HB1 ALA A 99 2.849 2.745 10.541 1.00 32.32 H new ATOM 0 HB2 ALA A 99 3.451 1.147 11.042 1.00 32.32 H new ATOM 0 HB3 ALA A 99 3.586 1.656 9.342 1.00 32.32 H new ATOM 1496 N LEU A 100 1.250 1.590 7.609 1.00 2.42 N ATOM 1497 CA LEU A 100 0.673 2.212 6.434 1.00 42.22 C ATOM 1498 C LEU A 100 -0.832 1.987 6.412 1.00 64.10 C ATOM 1499 O LEU A 100 -1.603 2.924 6.231 1.00 64.43 O ATOM 1500 CB LEU A 100 1.297 1.595 5.181 1.00 61.55 C ATOM 1501 CG LEU A 100 1.024 2.306 3.856 1.00 30.42 C ATOM 1502 CD1 LEU A 100 1.620 3.705 3.866 1.00 2.11 C ATOM 1503 CD2 LEU A 100 1.578 1.493 2.700 1.00 55.22 C ATOM 0 H LEU A 100 1.969 0.900 7.391 1.00 2.42 H new ATOM 0 HA LEU A 100 0.873 3.283 6.459 1.00 42.22 H new ATOM 0 HB2 LEU A 100 2.376 1.549 5.326 1.00 61.55 H new ATOM 0 HB3 LEU A 100 0.943 0.568 5.095 1.00 61.55 H new ATOM 0 HG LEU A 100 -0.054 2.399 3.727 1.00 30.42 H new ATOM 0 HD11 LEU A 100 1.415 4.195 2.914 1.00 2.11 H new ATOM 0 HD12 LEU A 100 1.175 4.284 4.675 1.00 2.11 H new ATOM 0 HD13 LEU A 100 2.698 3.640 4.016 1.00 2.11 H new ATOM 0 HD21 LEU A 100 1.377 2.010 1.762 1.00 55.22 H new ATOM 0 HD22 LEU A 100 2.654 1.371 2.824 1.00 55.22 H new ATOM 0 HD23 LEU A 100 1.101 0.513 2.683 1.00 55.22 H new ATOM 1515 N ILE A 101 -1.234 0.744 6.683 1.00 63.40 N ATOM 1516 CA ILE A 101 -2.648 0.346 6.670 1.00 31.24 C ATOM 1517 C ILE A 101 -3.456 1.176 7.665 1.00 64.11 C ATOM 1518 O ILE A 101 -4.553 1.626 7.339 1.00 72.41 O ATOM 1519 CB ILE A 101 -2.832 -1.186 6.989 1.00 52.54 C ATOM 1520 CG1 ILE A 101 -2.192 -2.069 5.902 1.00 61.43 C ATOM 1521 CG2 ILE A 101 -4.305 -1.559 7.183 1.00 31.32 C ATOM 1522 CD1 ILE A 101 -2.760 -1.880 4.505 1.00 45.44 C ATOM 0 H ILE A 101 -0.594 -0.015 6.917 1.00 63.40 H new ATOM 0 HA ILE A 101 -3.018 0.530 5.661 1.00 31.24 H new ATOM 0 HB ILE A 101 -2.315 -1.373 7.930 1.00 52.54 H new ATOM 0 HG12 ILE A 101 -1.122 -1.866 5.873 1.00 61.43 H new ATOM 0 HG13 ILE A 101 -2.310 -3.114 6.188 1.00 61.43 H new ATOM 0 HG21 ILE A 101 -4.385 -2.624 7.401 1.00 31.32 H new ATOM 0 HG22 ILE A 101 -4.719 -0.987 8.013 1.00 31.32 H new ATOM 0 HG23 ILE A 101 -4.861 -1.332 6.273 1.00 31.32 H new ATOM 0 HD11 ILE A 101 -2.246 -2.544 3.810 1.00 45.44 H new ATOM 0 HD12 ILE A 101 -3.825 -2.114 4.510 1.00 45.44 H new ATOM 0 HD13 ILE A 101 -2.617 -0.846 4.191 1.00 45.44 H new ATOM 1534 N GLY A 102 -2.873 1.430 8.837 1.00 12.12 N ATOM 1535 CA GLY A 102 -3.538 2.226 9.863 1.00 31.44 C ATOM 1536 C GLY A 102 -3.866 3.621 9.385 1.00 3.04 C ATOM 1537 O GLY A 102 -4.946 4.150 9.629 1.00 11.23 O ATOM 0 H GLY A 102 -1.945 1.096 9.097 1.00 12.12 H new ATOM 0 HA2 GLY A 102 -4.456 1.725 10.170 1.00 31.44 H new ATOM 0 HA3 GLY A 102 -2.898 2.287 10.743 1.00 31.44 H new ATOM 1541 N ILE A 103 -2.940 4.199 8.685 1.00 12.42 N ATOM 1542 CA ILE A 103 -3.101 5.526 8.148 1.00 3.23 C ATOM 1543 C ILE A 103 -4.117 5.524 7.013 1.00 24.00 C ATOM 1544 O ILE A 103 -4.941 6.443 6.896 1.00 45.02 O ATOM 1545 CB ILE A 103 -1.748 6.064 7.666 1.00 23.23 C ATOM 1546 CG1 ILE A 103 -0.781 6.067 8.846 1.00 53.42 C ATOM 1547 CG2 ILE A 103 -1.897 7.470 7.076 1.00 45.42 C ATOM 1548 CD1 ILE A 103 0.639 6.320 8.469 1.00 74.43 C ATOM 0 H ILE A 103 -2.043 3.766 8.465 1.00 12.42 H new ATOM 0 HA ILE A 103 -3.476 6.181 8.935 1.00 3.23 H new ATOM 0 HB ILE A 103 -1.359 5.423 6.875 1.00 23.23 H new ATOM 0 HG12 ILE A 103 -1.097 6.828 9.559 1.00 53.42 H new ATOM 0 HG13 ILE A 103 -0.844 5.106 9.356 1.00 53.42 H new ATOM 0 HG21 ILE A 103 -0.924 7.829 6.742 1.00 45.42 H new ATOM 0 HG22 ILE A 103 -2.583 7.439 6.229 1.00 45.42 H new ATOM 0 HG23 ILE A 103 -2.291 8.144 7.837 1.00 45.42 H new ATOM 0 HD11 ILE A 103 1.261 6.306 9.364 1.00 74.43 H new ATOM 0 HD12 ILE A 103 0.976 5.545 7.780 1.00 74.43 H new ATOM 0 HD13 ILE A 103 0.719 7.294 7.987 1.00 74.43 H new ATOM 1560 N ILE A 104 -4.070 4.477 6.204 1.00 64.24 N ATOM 1561 CA ILE A 104 -4.963 4.341 5.070 1.00 54.21 C ATOM 1562 C ILE A 104 -6.403 4.247 5.549 1.00 73.20 C ATOM 1563 O ILE A 104 -7.256 5.020 5.117 1.00 12.31 O ATOM 1564 CB ILE A 104 -4.624 3.067 4.235 1.00 22.33 C ATOM 1565 CG1 ILE A 104 -3.211 3.159 3.659 1.00 4.12 C ATOM 1566 CG2 ILE A 104 -5.640 2.854 3.110 1.00 62.30 C ATOM 1567 CD1 ILE A 104 -2.730 1.874 3.014 1.00 32.53 C ATOM 0 H ILE A 104 -3.415 3.703 6.316 1.00 64.24 H new ATOM 0 HA ILE A 104 -4.835 5.221 4.439 1.00 54.21 H new ATOM 0 HB ILE A 104 -4.674 2.209 4.906 1.00 22.33 H new ATOM 0 HG12 ILE A 104 -3.181 3.959 2.920 1.00 4.12 H new ATOM 0 HG13 ILE A 104 -2.521 3.435 4.456 1.00 4.12 H new ATOM 0 HG21 ILE A 104 -5.377 1.959 2.546 1.00 62.30 H new ATOM 0 HG22 ILE A 104 -6.636 2.734 3.537 1.00 62.30 H new ATOM 0 HG23 ILE A 104 -5.632 3.717 2.444 1.00 62.30 H new ATOM 0 HD11 ILE A 104 -1.720 2.016 2.628 1.00 32.53 H new ATOM 0 HD12 ILE A 104 -2.726 1.074 3.755 1.00 32.53 H new ATOM 0 HD13 ILE A 104 -3.397 1.606 2.194 1.00 32.53 H new ATOM 1579 N GLU A 105 -6.644 3.363 6.501 1.00 72.42 N ATOM 1580 CA GLU A 105 -7.980 3.140 6.999 1.00 43.44 C ATOM 1581 C GLU A 105 -8.508 4.375 7.730 1.00 13.43 C ATOM 1582 O GLU A 105 -9.646 4.787 7.500 1.00 44.01 O ATOM 1583 CB GLU A 105 -8.053 1.850 7.844 1.00 15.03 C ATOM 1584 CG GLU A 105 -7.217 1.862 9.107 1.00 32.20 C ATOM 1585 CD GLU A 105 -8.064 1.951 10.342 1.00 33.14 C ATOM 1586 OE1 GLU A 105 -8.481 3.060 10.706 1.00 33.23 O ATOM 1587 OE2 GLU A 105 -8.374 0.908 10.941 1.00 63.22 O ATOM 0 H GLU A 105 -5.926 2.789 6.943 1.00 72.42 H new ATOM 0 HA GLU A 105 -8.645 2.982 6.150 1.00 43.44 H new ATOM 0 HB2 GLU A 105 -9.093 1.671 8.117 1.00 15.03 H new ATOM 0 HB3 GLU A 105 -7.737 1.010 7.225 1.00 15.03 H new ATOM 0 HG2 GLU A 105 -6.610 0.958 9.148 1.00 32.20 H new ATOM 0 HG3 GLU A 105 -6.529 2.707 9.078 1.00 32.20 H new ATOM 1594 N GLY A 106 -7.648 5.000 8.541 1.00 31.23 N ATOM 1595 CA GLY A 106 -8.022 6.183 9.292 1.00 74.32 C ATOM 1596 C GLY A 106 -8.445 7.325 8.395 1.00 61.52 C ATOM 1597 O GLY A 106 -9.422 8.034 8.687 1.00 64.31 O ATOM 0 H GLY A 106 -6.685 4.697 8.688 1.00 31.23 H new ATOM 0 HA2 GLY A 106 -8.838 5.936 9.971 1.00 74.32 H new ATOM 0 HA3 GLY A 106 -7.180 6.501 9.908 1.00 74.32 H new ATOM 1601 N ASN A 107 -7.731 7.489 7.290 1.00 13.10 N ATOM 1602 CA ASN A 107 -8.037 8.533 6.313 1.00 74.44 C ATOM 1603 C ASN A 107 -9.394 8.262 5.681 1.00 44.30 C ATOM 1604 O ASN A 107 -10.231 9.158 5.578 1.00 24.25 O ATOM 1605 CB ASN A 107 -6.952 8.579 5.224 1.00 12.03 C ATOM 1606 CG ASN A 107 -7.192 9.643 4.150 1.00 33.20 C ATOM 1607 OD1 ASN A 107 -7.858 9.397 3.152 1.00 62.33 O ATOM 1608 ND2 ASN A 107 -6.619 10.809 4.328 1.00 31.24 N ATOM 0 H ASN A 107 -6.929 6.909 7.044 1.00 13.10 H new ATOM 0 HA ASN A 107 -8.062 9.497 6.822 1.00 74.44 H new ATOM 0 HB2 ASN A 107 -5.987 8.764 5.695 1.00 12.03 H new ATOM 0 HB3 ASN A 107 -6.891 7.602 4.745 1.00 12.03 H new ATOM 0 HD21 ASN A 107 -6.722 11.541 3.625 1.00 31.24 H new ATOM 0 HD22 ASN A 107 -6.070 10.984 5.170 1.00 31.24 H new ATOM 1615 N ILE A 108 -9.624 6.999 5.338 1.00 53.22 N ATOM 1616 CA ILE A 108 -10.872 6.570 4.718 1.00 33.35 C ATOM 1617 C ILE A 108 -12.051 6.785 5.667 1.00 61.31 C ATOM 1618 O ILE A 108 -13.120 7.217 5.239 1.00 62.14 O ATOM 1619 CB ILE A 108 -10.814 5.078 4.302 1.00 22.10 C ATOM 1620 CG1 ILE A 108 -9.692 4.851 3.291 1.00 0.21 C ATOM 1621 CG2 ILE A 108 -12.151 4.624 3.719 1.00 62.12 C ATOM 1622 CD1 ILE A 108 -9.454 3.397 2.965 1.00 10.22 C ATOM 0 H ILE A 108 -8.952 6.245 5.482 1.00 53.22 H new ATOM 0 HA ILE A 108 -11.012 7.177 3.824 1.00 33.35 H new ATOM 0 HB ILE A 108 -10.609 4.484 5.193 1.00 22.10 H new ATOM 0 HG12 ILE A 108 -9.930 5.386 2.372 1.00 0.21 H new ATOM 0 HG13 ILE A 108 -8.770 5.282 3.682 1.00 0.21 H new ATOM 0 HG21 ILE A 108 -12.086 3.574 3.434 1.00 62.12 H new ATOM 0 HG22 ILE A 108 -12.935 4.750 4.466 1.00 62.12 H new ATOM 0 HG23 ILE A 108 -12.387 5.224 2.840 1.00 62.12 H new ATOM 0 HD11 ILE A 108 -8.643 3.314 2.241 1.00 10.22 H new ATOM 0 HD12 ILE A 108 -9.185 2.860 3.874 1.00 10.22 H new ATOM 0 HD13 ILE A 108 -10.362 2.965 2.544 1.00 10.22 H new ATOM 1634 N ARG A 109 -11.840 6.504 6.962 1.00 64.13 N ATOM 1635 CA ARG A 109 -12.895 6.675 7.952 1.00 42.54 C ATOM 1636 C ARG A 109 -13.360 8.115 7.962 1.00 41.24 C ATOM 1637 O ARG A 109 -14.548 8.377 7.881 1.00 51.13 O ATOM 1638 CB ARG A 109 -12.442 6.291 9.370 1.00 61.21 C ATOM 1639 CG ARG A 109 -11.864 4.896 9.506 1.00 74.31 C ATOM 1640 CD ARG A 109 -11.705 4.508 10.968 1.00 11.03 C ATOM 1641 NE ARG A 109 -11.050 3.210 11.127 1.00 1.15 N ATOM 1642 CZ ARG A 109 -11.611 2.079 11.558 1.00 53.41 C ATOM 1643 NH1 ARG A 109 -12.925 2.030 11.821 1.00 55.52 N ATOM 1644 NH2 ARG A 109 -10.866 0.992 11.700 1.00 3.23 N ATOM 0 H ARG A 109 -10.956 6.161 7.338 1.00 64.13 H new ATOM 0 HA ARG A 109 -13.708 6.007 7.667 1.00 42.54 H new ATOM 0 HB2 ARG A 109 -11.695 7.011 9.703 1.00 61.21 H new ATOM 0 HB3 ARG A 109 -13.294 6.381 10.044 1.00 61.21 H new ATOM 0 HG2 ARG A 109 -12.515 4.179 9.005 1.00 74.31 H new ATOM 0 HG3 ARG A 109 -10.896 4.850 9.007 1.00 74.31 H new ATOM 0 HD2 ARG A 109 -11.123 5.272 11.484 1.00 11.03 H new ATOM 0 HD3 ARG A 109 -12.686 4.479 11.443 1.00 11.03 H new ATOM 0 HE ARG A 109 -10.061 3.165 10.883 1.00 1.15 H new ATOM 0 HH11 ARG A 109 -13.502 2.861 11.692 1.00 55.52 H new ATOM 0 HH12 ARG A 109 -13.347 1.162 12.150 1.00 55.52 H new ATOM 0 HH21 ARG A 109 -9.870 1.024 11.480 1.00 3.23 H new ATOM 0 HH22 ARG A 109 -11.288 0.124 12.029 1.00 3.23 H new ATOM 1658 N TYR A 110 -12.411 9.035 8.003 1.00 30.44 N ATOM 1659 CA TYR A 110 -12.719 10.449 8.018 1.00 22.22 C ATOM 1660 C TYR A 110 -13.243 10.996 6.714 1.00 52.01 C ATOM 1661 O TYR A 110 -14.078 11.899 6.706 1.00 4.13 O ATOM 1662 CB TYR A 110 -11.653 11.307 8.674 1.00 22.10 C ATOM 1663 CG TYR A 110 -12.066 11.641 10.082 1.00 34.43 C ATOM 1664 CD1 TYR A 110 -11.921 10.728 11.120 1.00 35.11 C ATOM 1665 CD2 TYR A 110 -12.682 12.850 10.356 1.00 30.54 C ATOM 1666 CE1 TYR A 110 -12.386 11.019 12.390 1.00 3.24 C ATOM 1667 CE2 TYR A 110 -13.130 13.154 11.619 1.00 72.33 C ATOM 1668 CZ TYR A 110 -12.989 12.239 12.630 1.00 34.34 C ATOM 1669 OH TYR A 110 -13.489 12.526 13.876 1.00 43.34 O ATOM 0 H TYR A 110 -11.414 8.822 8.027 1.00 30.44 H new ATOM 0 HA TYR A 110 -13.577 10.523 8.687 1.00 22.22 H new ATOM 0 HB2 TYR A 110 -10.700 10.778 8.680 1.00 22.10 H new ATOM 0 HB3 TYR A 110 -11.506 12.223 8.101 1.00 22.10 H new ATOM 0 HD1 TYR A 110 -11.439 9.780 10.933 1.00 35.11 H new ATOM 0 HD2 TYR A 110 -12.813 13.569 9.561 1.00 30.54 H new ATOM 0 HE1 TYR A 110 -12.279 10.299 13.187 1.00 3.24 H new ATOM 0 HE2 TYR A 110 -13.592 14.111 11.814 1.00 72.33 H new ATOM 0 HH TYR A 110 -13.878 13.425 13.873 1.00 43.34 H new ATOM 1679 N ALA A 111 -12.728 10.500 5.619 1.00 23.54 N ATOM 1680 CA ALA A 111 -13.243 10.875 4.314 1.00 34.35 C ATOM 1681 C ALA A 111 -14.721 10.457 4.186 1.00 5.54 C ATOM 1682 O ALA A 111 -15.526 11.160 3.575 1.00 32.02 O ATOM 1683 CB ALA A 111 -12.413 10.235 3.210 1.00 71.14 C ATOM 0 H ALA A 111 -11.954 9.836 5.597 1.00 23.54 H new ATOM 0 HA ALA A 111 -13.176 11.958 4.211 1.00 34.35 H new ATOM 0 HB1 ALA A 111 -12.813 10.527 2.239 1.00 71.14 H new ATOM 0 HB2 ALA A 111 -11.379 10.569 3.292 1.00 71.14 H new ATOM 0 HB3 ALA A 111 -12.452 9.150 3.308 1.00 71.14 H new ATOM 1689 N ASN A 112 -15.056 9.311 4.769 1.00 42.13 N ATOM 1690 CA ASN A 112 -16.421 8.795 4.733 1.00 35.34 C ATOM 1691 C ASN A 112 -17.316 9.526 5.752 1.00 73.44 C ATOM 1692 O ASN A 112 -18.483 9.808 5.468 1.00 2.11 O ATOM 1693 CB ASN A 112 -16.426 7.270 5.009 1.00 71.25 C ATOM 1694 CG ASN A 112 -17.743 6.525 4.667 1.00 3.31 C ATOM 1695 OD1 ASN A 112 -17.713 5.347 4.336 1.00 30.51 O ATOM 1696 ND2 ASN A 112 -18.886 7.179 4.730 1.00 41.14 N ATOM 0 H ASN A 112 -14.398 8.719 5.275 1.00 42.13 H new ATOM 0 HA ASN A 112 -16.826 8.975 3.737 1.00 35.34 H new ATOM 0 HB2 ASN A 112 -15.615 6.815 4.440 1.00 71.25 H new ATOM 0 HB3 ASN A 112 -16.204 7.110 6.064 1.00 71.25 H new ATOM 0 HD21 ASN A 112 -19.759 6.703 4.502 1.00 41.14 H new ATOM 0 HD22 ASN A 112 -18.897 8.161 5.007 1.00 41.14 H new