USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 691 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 59 SER OG : rot -107:sc= 1.87 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.908 K(o=2.8,f=1.1) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.21 K(o=-2.9,f=-8!) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.387 K(o=-2.9,f=-6.5) USER MOD Set 2.3: A 58 ASN : amide:sc= 0.66 K(o=-2.9,f=-13!) USER MOD Set 2.4: A 79 CYS SG : rot -140:sc= -1.21 USER MOD Set 2.5: A 82 HIS : no HE2:sc= -1.51 K(o=-2.9,f=-13!) USER MOD Set 3.1: A 30 ASN : amide:sc= -1.73 K(o=-2.8,f=-1.3) USER MOD Set 3.2: A 32 GLN : amide:sc= -1.03 K(o=-2.8,f=-1.3) USER MOD Single : A 13 SER OG : rot -38:sc= 1.16 USER MOD Single : A 14 GLN : amide:sc= -0.505 X(o=-0.51,f=-0.8) USER MOD Single : A 15 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.9) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -160:sc= -1.61! USER MOD Single : A 27 HIS : no HD1:sc= 0.273 K(o=0.53,f=-3.3!) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc=-0.000838 (180deg=-0.0948) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.149) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -118:sc= -1.32 (180deg=-1.62) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0.745 (180deg=0.629) USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= -0.464 (180deg=-0.696) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= -0.328 (180deg=-1.39!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.062) USER MOD Single : A 90 SER OG : rot 31:sc= -1.28! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.438 -6.645 -0.591 1.00 34.15 N ATOM 90 CA GLU A 7 15.452 -6.467 0.481 1.00 73.05 C ATOM 91 C GLU A 7 14.781 -5.083 0.426 1.00 41.54 C ATOM 92 O GLU A 7 15.353 -4.087 0.863 1.00 51.32 O ATOM 93 CB GLU A 7 16.127 -6.689 1.844 1.00 31.14 C ATOM 94 CG GLU A 7 16.738 -8.083 1.992 1.00 0.35 C ATOM 95 CD GLU A 7 17.490 -8.276 3.300 1.00 22.34 C ATOM 96 OE1 GLU A 7 16.836 -8.335 4.364 1.00 44.21 O ATOM 97 OE2 GLU A 7 18.737 -8.394 3.270 1.00 31.32 O ATOM 0 HA GLU A 7 14.664 -7.207 0.340 1.00 73.05 H new ATOM 0 HB2 GLU A 7 16.907 -5.941 1.982 1.00 31.14 H new ATOM 0 HB3 GLU A 7 15.393 -6.535 2.635 1.00 31.14 H new ATOM 0 HG2 GLU A 7 15.946 -8.828 1.923 1.00 0.35 H new ATOM 0 HG3 GLU A 7 17.418 -8.264 1.160 1.00 0.35 H new ATOM 104 N VAL A 8 13.571 -5.023 -0.141 1.00 51.52 N ATOM 105 CA VAL A 8 12.812 -3.767 -0.239 1.00 60.42 C ATOM 106 C VAL A 8 11.569 -3.766 0.671 1.00 31.34 C ATOM 107 O VAL A 8 10.990 -4.816 0.970 1.00 11.50 O ATOM 108 CB VAL A 8 12.366 -3.482 -1.699 1.00 13.21 C ATOM 109 CG1 VAL A 8 13.571 -3.414 -2.636 1.00 4.20 C ATOM 110 CG2 VAL A 8 11.360 -4.529 -2.178 1.00 1.11 C ATOM 0 H VAL A 8 13.094 -5.831 -0.541 1.00 51.52 H new ATOM 0 HA VAL A 8 13.490 -2.981 0.093 1.00 60.42 H new ATOM 0 HB VAL A 8 11.873 -2.510 -1.715 1.00 13.21 H new ATOM 0 HG11 VAL A 8 13.231 -3.213 -3.652 1.00 4.20 H new ATOM 0 HG12 VAL A 8 14.239 -2.616 -2.313 1.00 4.20 H new ATOM 0 HG13 VAL A 8 14.104 -4.364 -2.613 1.00 4.20 H new ATOM 0 HG21 VAL A 8 11.064 -4.307 -3.203 1.00 1.11 H new ATOM 0 HG22 VAL A 8 11.817 -5.518 -2.139 1.00 1.11 H new ATOM 0 HG23 VAL A 8 10.481 -4.510 -1.534 1.00 1.11 H new ATOM 120 N VAL A 9 11.167 -2.570 1.103 1.00 22.24 N ATOM 121 CA VAL A 9 9.983 -2.391 1.953 1.00 22.13 C ATOM 122 C VAL A 9 9.028 -1.330 1.366 1.00 42.12 C ATOM 123 O VAL A 9 9.467 -0.325 0.799 1.00 52.12 O ATOM 124 CB VAL A 9 10.378 -1.977 3.398 1.00 70.41 C ATOM 125 CG1 VAL A 9 11.237 -3.054 4.062 1.00 44.44 C ATOM 126 CG2 VAL A 9 11.106 -0.630 3.407 1.00 11.15 C ATOM 0 H VAL A 9 11.649 -1.700 0.876 1.00 22.24 H new ATOM 0 HA VAL A 9 9.472 -3.353 1.987 1.00 22.13 H new ATOM 0 HB VAL A 9 9.458 -1.870 3.973 1.00 70.41 H new ATOM 0 HG11 VAL A 9 11.499 -2.739 5.072 1.00 44.44 H new ATOM 0 HG12 VAL A 9 10.678 -3.989 4.107 1.00 44.44 H new ATOM 0 HG13 VAL A 9 12.147 -3.203 3.481 1.00 44.44 H new ATOM 0 HG21 VAL A 9 11.370 -0.366 4.431 1.00 11.15 H new ATOM 0 HG22 VAL A 9 12.012 -0.702 2.806 1.00 11.15 H new ATOM 0 HG23 VAL A 9 10.455 0.138 2.991 1.00 11.15 H new ATOM 136 N ALA A 10 7.725 -1.564 1.505 1.00 45.33 N ATOM 137 CA ALA A 10 6.704 -0.627 1.020 1.00 63.15 C ATOM 138 C ALA A 10 6.305 0.376 2.114 1.00 54.42 C ATOM 139 O ALA A 10 5.797 -0.010 3.167 1.00 10.11 O ATOM 140 CB ALA A 10 5.478 -1.394 0.528 1.00 33.24 C ATOM 0 H ALA A 10 7.346 -2.399 1.952 1.00 45.33 H new ATOM 0 HA ALA A 10 7.128 -0.064 0.188 1.00 63.15 H new ATOM 0 HB1 ALA A 10 4.727 -0.689 0.171 1.00 33.24 H new ATOM 0 HB2 ALA A 10 5.767 -2.059 -0.285 1.00 33.24 H new ATOM 0 HB3 ALA A 10 5.063 -1.981 1.347 1.00 33.24 H new ATOM 146 N ILE A 11 6.547 1.662 1.858 1.00 63.45 N ATOM 147 CA ILE A 11 6.234 2.729 2.817 1.00 23.43 C ATOM 148 C ILE A 11 4.830 3.307 2.568 1.00 70.23 C ATOM 149 O ILE A 11 4.589 3.945 1.543 1.00 3.03 O ATOM 150 CB ILE A 11 7.262 3.888 2.725 1.00 0.20 C ATOM 151 CG1 ILE A 11 8.702 3.347 2.669 1.00 51.51 C ATOM 152 CG2 ILE A 11 7.093 4.852 3.900 1.00 23.30 C ATOM 153 CD1 ILE A 11 9.115 2.535 3.877 1.00 52.40 C ATOM 0 H ILE A 11 6.962 1.995 0.988 1.00 63.45 H new ATOM 0 HA ILE A 11 6.276 2.280 3.809 1.00 23.43 H new ATOM 0 HB ILE A 11 7.072 4.434 1.801 1.00 0.20 H new ATOM 0 HG12 ILE A 11 8.810 2.729 1.778 1.00 51.51 H new ATOM 0 HG13 ILE A 11 9.388 4.187 2.560 1.00 51.51 H new ATOM 0 HG21 ILE A 11 7.823 5.658 3.818 1.00 23.30 H new ATOM 0 HG22 ILE A 11 6.087 5.271 3.885 1.00 23.30 H new ATOM 0 HG23 ILE A 11 7.249 4.316 4.836 1.00 23.30 H new ATOM 0 HD11 ILE A 11 10.143 2.194 3.752 1.00 52.40 H new ATOM 0 HD12 ILE A 11 9.044 3.153 4.772 1.00 52.40 H new ATOM 0 HD13 ILE A 11 8.457 1.672 3.978 1.00 52.40 H new ATOM 165 N ILE A 12 3.914 3.086 3.508 1.00 60.11 N ATOM 166 CA ILE A 12 2.543 3.598 3.394 1.00 34.43 C ATOM 167 C ILE A 12 2.355 4.903 4.193 1.00 51.15 C ATOM 168 O ILE A 12 2.520 4.931 5.419 1.00 11.21 O ATOM 169 CB ILE A 12 1.490 2.557 3.880 1.00 42.12 C ATOM 170 CG1 ILE A 12 1.509 1.276 3.015 1.00 63.42 C ATOM 171 CG2 ILE A 12 0.091 3.171 3.880 1.00 34.44 C ATOM 172 CD1 ILE A 12 2.698 0.370 3.262 1.00 72.22 C ATOM 0 H ILE A 12 4.093 2.555 4.360 1.00 60.11 H new ATOM 0 HA ILE A 12 2.384 3.797 2.334 1.00 34.43 H new ATOM 0 HB ILE A 12 1.756 2.275 4.899 1.00 42.12 H new ATOM 0 HG12 ILE A 12 0.594 0.713 3.201 1.00 63.42 H new ATOM 0 HG13 ILE A 12 1.499 1.562 1.963 1.00 63.42 H new ATOM 0 HG21 ILE A 12 -0.632 2.430 4.222 1.00 34.44 H new ATOM 0 HG22 ILE A 12 0.072 4.032 4.548 1.00 34.44 H new ATOM 0 HG23 ILE A 12 -0.167 3.490 2.870 1.00 34.44 H new ATOM 0 HD11 ILE A 12 2.631 -0.504 2.614 1.00 72.22 H new ATOM 0 HD12 ILE A 12 3.619 0.912 3.047 1.00 72.22 H new ATOM 0 HD13 ILE A 12 2.701 0.049 4.304 1.00 72.22 H new ATOM 184 N SER A 13 2.004 5.978 3.492 1.00 40.03 N ATOM 185 CA SER A 13 1.708 7.270 4.129 1.00 21.22 C ATOM 186 C SER A 13 0.298 7.746 3.755 1.00 12.21 C ATOM 187 O SER A 13 -0.169 7.505 2.643 1.00 24.20 O ATOM 188 CB SER A 13 2.741 8.332 3.711 1.00 23.13 C ATOM 189 OG SER A 13 2.648 8.641 2.327 1.00 50.13 O ATOM 0 H SER A 13 1.916 5.985 2.476 1.00 40.03 H new ATOM 0 HA SER A 13 1.761 7.132 5.209 1.00 21.22 H new ATOM 0 HB2 SER A 13 2.588 9.238 4.297 1.00 23.13 H new ATOM 0 HB3 SER A 13 3.745 7.972 3.937 1.00 23.13 H new ATOM 0 HG SER A 13 2.457 7.824 1.821 1.00 50.13 H new ATOM 195 N GLN A 14 -0.388 8.411 4.682 1.00 60.22 N ATOM 196 CA GLN A 14 -1.737 8.924 4.412 1.00 2.40 C ATOM 197 C GLN A 14 -1.940 10.315 5.031 1.00 33.35 C ATOM 198 O GLN A 14 -1.433 10.603 6.117 1.00 53.21 O ATOM 199 CB GLN A 14 -2.802 7.947 4.929 1.00 32.22 C ATOM 200 CG GLN A 14 -4.218 8.293 4.479 1.00 20.30 C ATOM 201 CD GLN A 14 -5.258 7.301 4.964 1.00 2.31 C ATOM 202 OE1 GLN A 14 -5.118 6.698 6.023 1.00 43.44 O ATOM 203 NE2 GLN A 14 -6.312 7.121 4.194 1.00 72.42 N ATOM 0 H GLN A 14 -0.039 8.608 5.620 1.00 60.22 H new ATOM 0 HA GLN A 14 -1.846 9.018 3.331 1.00 2.40 H new ATOM 0 HB2 GLN A 14 -2.557 6.941 4.588 1.00 32.22 H new ATOM 0 HB3 GLN A 14 -2.770 7.931 6.018 1.00 32.22 H new ATOM 0 HG2 GLN A 14 -4.476 9.287 4.844 1.00 20.30 H new ATOM 0 HG3 GLN A 14 -4.246 8.336 3.390 1.00 20.30 H new ATOM 0 HE21 GLN A 14 -6.399 7.638 3.319 1.00 72.42 H new ATOM 0 HE22 GLN A 14 -7.041 6.465 4.473 1.00 72.42 H new ATOM 212 N ASN A 15 -2.656 11.183 4.307 1.00 4.44 N ATOM 213 CA ASN A 15 -2.916 12.574 4.733 1.00 60.01 C ATOM 214 C ASN A 15 -1.634 13.436 4.777 1.00 63.03 C ATOM 215 O ASN A 15 -1.710 14.662 4.873 1.00 14.31 O ATOM 216 CB ASN A 15 -3.621 12.622 6.100 1.00 65.21 C ATOM 217 CG ASN A 15 -5.007 12.002 6.072 1.00 30.34 C ATOM 218 OD1 ASN A 15 -5.990 12.663 5.749 1.00 65.53 O ATOM 219 ND2 ASN A 15 -5.109 10.741 6.439 1.00 40.10 N ATOM 0 H ASN A 15 -3.074 10.946 3.407 1.00 4.44 H new ATOM 0 HA ASN A 15 -3.575 12.998 3.976 1.00 60.01 H new ATOM 0 HB2 ASN A 15 -3.010 12.101 6.837 1.00 65.21 H new ATOM 0 HB3 ASN A 15 -3.699 13.659 6.427 1.00 65.21 H new ATOM 0 HD21 ASN A 15 -6.023 10.288 6.460 1.00 40.10 H new ATOM 0 HD22 ASN A 15 -4.274 10.217 6.702 1.00 40.10 H new ATOM 226 N GLY A 16 -0.467 12.794 4.696 1.00 74.52 N ATOM 227 CA GLY A 16 0.806 13.505 4.806 1.00 1.34 C ATOM 228 C GLY A 16 1.649 13.027 5.987 1.00 10.15 C ATOM 229 O GLY A 16 2.439 13.788 6.543 1.00 14.33 O ATOM 0 H GLY A 16 -0.378 11.788 4.555 1.00 74.52 H new ATOM 0 HA2 GLY A 16 1.372 13.373 3.884 1.00 1.34 H new ATOM 0 HA3 GLY A 16 0.613 14.573 4.911 1.00 1.34 H new ATOM 233 N LYS A 17 1.445 11.777 6.404 1.00 22.32 N ATOM 234 CA LYS A 17 2.264 11.161 7.461 1.00 64.24 C ATOM 235 C LYS A 17 2.416 9.644 7.234 1.00 31.41 C ATOM 236 O LYS A 17 1.499 8.990 6.728 1.00 62.12 O ATOM 237 CB LYS A 17 1.645 11.427 8.843 1.00 22.41 C ATOM 238 CG LYS A 17 0.225 10.880 9.002 1.00 75.14 C ATOM 239 CD LYS A 17 -0.349 11.153 10.391 1.00 72.12 C ATOM 240 CE LYS A 17 -0.461 12.645 10.682 1.00 64.14 C ATOM 241 NZ LYS A 17 -1.108 12.904 11.993 1.00 44.41 N ATOM 0 H LYS A 17 0.720 11.166 6.028 1.00 22.32 H new ATOM 0 HA LYS A 17 3.255 11.613 7.422 1.00 64.24 H new ATOM 0 HB2 LYS A 17 2.283 10.983 9.607 1.00 22.41 H new ATOM 0 HB3 LYS A 17 1.632 12.502 9.024 1.00 22.41 H new ATOM 0 HG2 LYS A 17 -0.422 11.330 8.249 1.00 75.14 H new ATOM 0 HG3 LYS A 17 0.229 9.806 8.818 1.00 75.14 H new ATOM 0 HD2 LYS A 17 -1.334 10.693 10.473 1.00 72.12 H new ATOM 0 HD3 LYS A 17 0.285 10.684 11.143 1.00 72.12 H new ATOM 0 HE2 LYS A 17 0.533 13.093 10.672 1.00 64.14 H new ATOM 0 HE3 LYS A 17 -1.036 13.127 9.891 1.00 64.14 H new ATOM 0 HZ1 LYS A 17 -1.166 13.930 12.155 1.00 44.41 H new ATOM 0 HZ2 LYS A 17 -2.066 12.499 11.994 1.00 44.41 H new ATOM 0 HZ3 LYS A 17 -0.546 12.465 12.750 1.00 44.41 H new ATOM 255 N VAL A 18 3.567 9.087 7.608 1.00 51.30 N ATOM 256 CA VAL A 18 3.797 7.639 7.496 1.00 5.31 C ATOM 257 C VAL A 18 3.024 6.879 8.584 1.00 25.44 C ATOM 258 O VAL A 18 3.216 7.115 9.780 1.00 62.32 O ATOM 259 CB VAL A 18 5.304 7.287 7.596 1.00 0.24 C ATOM 260 CG1 VAL A 18 5.526 5.777 7.463 1.00 14.13 C ATOM 261 CG2 VAL A 18 6.103 8.051 6.542 1.00 52.23 C ATOM 0 H VAL A 18 4.355 9.610 7.990 1.00 51.30 H new ATOM 0 HA VAL A 18 3.436 7.335 6.514 1.00 5.31 H new ATOM 0 HB VAL A 18 5.660 7.590 8.581 1.00 0.24 H new ATOM 0 HG11 VAL A 18 6.591 5.558 7.537 1.00 14.13 H new ATOM 0 HG12 VAL A 18 4.993 5.259 8.261 1.00 14.13 H new ATOM 0 HG13 VAL A 18 5.152 5.438 6.497 1.00 14.13 H new ATOM 0 HG21 VAL A 18 7.158 7.792 6.627 1.00 52.23 H new ATOM 0 HG22 VAL A 18 5.743 7.785 5.548 1.00 52.23 H new ATOM 0 HG23 VAL A 18 5.979 9.123 6.698 1.00 52.23 H new ATOM 271 N ILE A 19 2.147 5.968 8.167 1.00 72.25 N ATOM 272 CA ILE A 19 1.288 5.236 9.107 1.00 32.45 C ATOM 273 C ILE A 19 1.672 3.750 9.230 1.00 21.42 C ATOM 274 O ILE A 19 1.326 3.098 10.218 1.00 72.45 O ATOM 275 CB ILE A 19 -0.205 5.344 8.701 1.00 62.12 C ATOM 276 CG1 ILE A 19 -0.431 4.752 7.297 1.00 74.31 C ATOM 277 CG2 ILE A 19 -0.666 6.802 8.757 1.00 33.33 C ATOM 278 CD1 ILE A 19 -1.879 4.772 6.851 1.00 20.45 C ATOM 0 H ILE A 19 2.010 5.717 7.188 1.00 72.25 H new ATOM 0 HA ILE A 19 1.440 5.706 10.079 1.00 32.45 H new ATOM 0 HB ILE A 19 -0.800 4.767 9.410 1.00 62.12 H new ATOM 0 HG12 ILE A 19 0.169 5.309 6.577 1.00 74.31 H new ATOM 0 HG13 ILE A 19 -0.071 3.723 7.284 1.00 74.31 H new ATOM 0 HG21 ILE A 19 -1.716 6.863 8.470 1.00 33.33 H new ATOM 0 HG22 ILE A 19 -0.545 7.183 9.771 1.00 33.33 H new ATOM 0 HG23 ILE A 19 -0.067 7.400 8.070 1.00 33.33 H new ATOM 0 HD11 ILE A 19 -1.959 4.339 5.854 1.00 20.45 H new ATOM 0 HD12 ILE A 19 -2.482 4.191 7.548 1.00 20.45 H new ATOM 0 HD13 ILE A 19 -2.239 5.801 6.830 1.00 20.45 H new ATOM 290 N ARG A 20 2.378 3.217 8.228 1.00 63.35 N ATOM 291 CA ARG A 20 2.744 1.792 8.218 1.00 4.41 C ATOM 292 C ARG A 20 3.742 1.474 7.089 1.00 62.04 C ATOM 293 O ARG A 20 3.774 2.163 6.074 1.00 64.43 O ATOM 294 CB ARG A 20 1.473 0.943 8.044 1.00 52.05 C ATOM 295 CG ARG A 20 1.665 -0.549 8.291 1.00 65.24 C ATOM 296 CD ARG A 20 2.093 -0.839 9.726 1.00 1.31 C ATOM 297 NE ARG A 20 1.168 -0.270 10.707 1.00 54.41 N ATOM 298 CZ ARG A 20 1.176 -0.565 11.979 1.00 1.54 C ATOM 299 NH1 ARG A 20 2.012 -1.432 12.446 1.00 13.33 N ATOM 300 NH2 ARG A 20 0.335 0.003 12.780 1.00 51.32 N ATOM 0 H ARG A 20 2.706 3.743 7.418 1.00 63.35 H new ATOM 0 HA ARG A 20 3.226 1.555 9.166 1.00 4.41 H new ATOM 0 HB2 ARG A 20 0.708 1.315 8.726 1.00 52.05 H new ATOM 0 HB3 ARG A 20 1.094 1.084 7.032 1.00 52.05 H new ATOM 0 HG2 ARG A 20 0.735 -1.075 8.077 1.00 65.24 H new ATOM 0 HG3 ARG A 20 2.416 -0.937 7.603 1.00 65.24 H new ATOM 0 HD2 ARG A 20 2.157 -1.917 9.873 1.00 1.31 H new ATOM 0 HD3 ARG A 20 3.091 -0.435 9.894 1.00 1.31 H new ATOM 0 HE ARG A 20 0.473 0.399 10.376 1.00 54.41 H new ATOM 0 HH11 ARG A 20 2.673 -1.892 11.820 1.00 13.33 H new ATOM 0 HH12 ARG A 20 2.011 -1.656 13.441 1.00 13.33 H new ATOM 0 HH21 ARG A 20 -0.335 0.682 12.418 1.00 51.32 H new ATOM 0 HH22 ARG A 20 0.341 -0.228 13.774 1.00 51.32 H new ATOM 314 N GLU A 21 4.560 0.435 7.274 1.00 21.54 N ATOM 315 CA GLU A 21 5.479 -0.020 6.217 1.00 73.51 C ATOM 316 C GLU A 21 5.688 -1.547 6.267 1.00 63.12 C ATOM 317 O GLU A 21 6.104 -2.103 7.286 1.00 64.25 O ATOM 318 CB GLU A 21 6.825 0.720 6.307 1.00 71.21 C ATOM 319 CG GLU A 21 7.501 0.636 7.670 1.00 23.12 C ATOM 320 CD GLU A 21 8.822 1.391 7.718 1.00 53.53 C ATOM 321 OE1 GLU A 21 9.841 0.853 7.234 1.00 31.31 O ATOM 322 OE2 GLU A 21 8.848 2.522 8.252 1.00 50.40 O ATOM 0 H GLU A 21 4.608 -0.106 8.137 1.00 21.54 H new ATOM 0 HA GLU A 21 5.020 0.218 5.257 1.00 73.51 H new ATOM 0 HB2 GLU A 21 7.500 0.313 5.555 1.00 71.21 H new ATOM 0 HB3 GLU A 21 6.666 1.769 6.058 1.00 71.21 H new ATOM 0 HG2 GLU A 21 6.830 1.038 8.429 1.00 23.12 H new ATOM 0 HG3 GLU A 21 7.676 -0.410 7.920 1.00 23.12 H new ATOM 329 N ILE A 22 5.380 -2.218 5.156 1.00 43.01 N ATOM 330 CA ILE A 22 5.454 -3.688 5.076 1.00 2.41 C ATOM 331 C ILE A 22 6.663 -4.151 4.239 1.00 71.44 C ATOM 332 O ILE A 22 6.867 -3.682 3.120 1.00 42.15 O ATOM 333 CB ILE A 22 4.154 -4.297 4.458 1.00 65.20 C ATOM 334 CG1 ILE A 22 2.951 -4.136 5.410 1.00 70.42 C ATOM 335 CG2 ILE A 22 4.349 -5.774 4.094 1.00 24.13 C ATOM 336 CD1 ILE A 22 2.458 -2.712 5.566 1.00 61.23 C ATOM 0 H ILE A 22 5.075 -1.769 4.292 1.00 43.01 H new ATOM 0 HA ILE A 22 5.567 -4.044 6.100 1.00 2.41 H new ATOM 0 HB ILE A 22 3.943 -3.743 3.543 1.00 65.20 H new ATOM 0 HG12 ILE A 22 2.130 -4.753 5.045 1.00 70.42 H new ATOM 0 HG13 ILE A 22 3.227 -4.521 6.392 1.00 70.42 H new ATOM 0 HG21 ILE A 22 3.427 -6.168 3.667 1.00 24.13 H new ATOM 0 HG22 ILE A 22 5.155 -5.866 3.366 1.00 24.13 H new ATOM 0 HG23 ILE A 22 4.604 -6.339 4.991 1.00 24.13 H new ATOM 0 HD11 ILE A 22 1.611 -2.693 6.252 1.00 61.23 H new ATOM 0 HD12 ILE A 22 3.261 -2.090 5.963 1.00 61.23 H new ATOM 0 HD13 ILE A 22 2.147 -2.326 4.595 1.00 61.23 H new ATOM 348 N PRO A 23 7.484 -5.083 4.771 1.00 12.24 N ATOM 349 CA PRO A 23 8.601 -5.676 4.013 1.00 44.20 C ATOM 350 C PRO A 23 8.110 -6.618 2.900 1.00 43.11 C ATOM 351 O PRO A 23 7.327 -7.536 3.152 1.00 62.52 O ATOM 352 CB PRO A 23 9.384 -6.451 5.084 1.00 61.23 C ATOM 353 CG PRO A 23 8.373 -6.777 6.132 1.00 41.00 C ATOM 354 CD PRO A 23 7.398 -5.626 6.144 1.00 53.31 C ATOM 0 HA PRO A 23 9.199 -4.923 3.499 1.00 44.20 H new ATOM 0 HB2 PRO A 23 9.831 -7.355 4.671 1.00 61.23 H new ATOM 0 HB3 PRO A 23 10.197 -5.851 5.492 1.00 61.23 H new ATOM 0 HG2 PRO A 23 7.866 -7.715 5.906 1.00 41.00 H new ATOM 0 HG3 PRO A 23 8.846 -6.897 7.106 1.00 41.00 H new ATOM 0 HD2 PRO A 23 6.388 -5.959 6.381 1.00 53.31 H new ATOM 0 HD3 PRO A 23 7.670 -4.878 6.889 1.00 53.31 H new ATOM 362 N LEU A 24 8.569 -6.389 1.671 1.00 30.15 N ATOM 363 CA LEU A 24 8.112 -7.176 0.519 1.00 65.40 C ATOM 364 C LEU A 24 9.057 -8.349 0.215 1.00 21.41 C ATOM 365 O LEU A 24 8.658 -9.511 0.284 1.00 13.21 O ATOM 366 CB LEU A 24 7.973 -6.277 -0.716 1.00 2.03 C ATOM 367 CG LEU A 24 7.005 -5.093 -0.556 1.00 31.52 C ATOM 368 CD1 LEU A 24 6.911 -4.297 -1.854 1.00 4.35 C ATOM 369 CD2 LEU A 24 5.624 -5.574 -0.112 1.00 53.21 C ATOM 0 H LEU A 24 9.254 -5.669 1.444 1.00 30.15 H new ATOM 0 HA LEU A 24 7.138 -7.594 0.773 1.00 65.40 H new ATOM 0 HB2 LEU A 24 8.958 -5.888 -0.976 1.00 2.03 H new ATOM 0 HB3 LEU A 24 7.640 -6.888 -1.555 1.00 2.03 H new ATOM 0 HG LEU A 24 7.397 -4.436 0.220 1.00 31.52 H new ATOM 0 HD11 LEU A 24 6.221 -3.464 -1.721 1.00 4.35 H new ATOM 0 HD12 LEU A 24 7.897 -3.914 -2.118 1.00 4.35 H new ATOM 0 HD13 LEU A 24 6.548 -4.944 -2.652 1.00 4.35 H new ATOM 0 HD21 LEU A 24 4.957 -4.718 -0.006 1.00 53.21 H new ATOM 0 HD22 LEU A 24 5.220 -6.258 -0.858 1.00 53.21 H new ATOM 0 HD23 LEU A 24 5.708 -6.089 0.845 1.00 53.21 H new ATOM 381 N THR A 25 10.305 -8.037 -0.126 1.00 24.13 N ATOM 382 CA THR A 25 11.310 -9.067 -0.447 1.00 64.41 C ATOM 383 C THR A 25 11.443 -10.097 0.683 1.00 43.31 C ATOM 384 O THR A 25 11.637 -9.734 1.844 1.00 35.02 O ATOM 385 CB THR A 25 12.697 -8.438 -0.702 1.00 63.23 C ATOM 386 OG1 THR A 25 12.578 -7.353 -1.628 1.00 35.24 O ATOM 387 CG2 THR A 25 13.682 -9.470 -1.247 1.00 13.23 C ATOM 0 H THR A 25 10.652 -7.080 -0.189 1.00 24.13 H new ATOM 0 HA THR A 25 10.962 -9.566 -1.352 1.00 64.41 H new ATOM 0 HB THR A 25 13.079 -8.069 0.250 1.00 63.23 H new ATOM 0 HG1 THR A 25 13.453 -7.166 -2.027 1.00 35.24 H new ATOM 0 HG21 THR A 25 14.649 -8.996 -1.416 1.00 13.23 H new ATOM 0 HG22 THR A 25 13.796 -10.280 -0.527 1.00 13.23 H new ATOM 0 HG23 THR A 25 13.305 -9.871 -2.188 1.00 13.23 H new ATOM 395 N GLY A 26 11.330 -11.377 0.340 1.00 54.42 N ATOM 396 CA GLY A 26 11.397 -12.438 1.342 1.00 24.42 C ATOM 397 C GLY A 26 10.045 -12.749 1.981 1.00 11.41 C ATOM 398 O GLY A 26 9.823 -13.859 2.474 1.00 54.40 O ATOM 0 H GLY A 26 11.193 -11.704 -0.616 1.00 54.42 H new ATOM 0 HA2 GLY A 26 11.789 -13.343 0.878 1.00 24.42 H new ATOM 0 HA3 GLY A 26 12.102 -12.149 2.121 1.00 24.42 H new ATOM 402 N HIS A 27 9.139 -11.769 1.963 1.00 31.21 N ATOM 403 CA HIS A 27 7.799 -11.927 2.540 1.00 54.23 C ATOM 404 C HIS A 27 6.902 -12.774 1.622 1.00 23.23 C ATOM 405 O HIS A 27 6.121 -12.247 0.819 1.00 64.55 O ATOM 406 CB HIS A 27 7.173 -10.547 2.787 1.00 2.12 C ATOM 407 CG HIS A 27 5.826 -10.582 3.445 1.00 51.32 C ATOM 408 ND1 HIS A 27 4.659 -10.849 2.760 1.00 51.34 N ATOM 409 CD2 HIS A 27 5.460 -10.367 4.732 1.00 43.33 C ATOM 410 CE1 HIS A 27 3.638 -10.793 3.591 1.00 42.03 C ATOM 411 NE2 HIS A 27 4.095 -10.503 4.791 1.00 30.25 N ATOM 0 H HIS A 27 9.309 -10.851 1.552 1.00 31.21 H new ATOM 0 HA HIS A 27 7.888 -12.450 3.492 1.00 54.23 H new ATOM 0 HB2 HIS A 27 7.851 -9.961 3.407 1.00 2.12 H new ATOM 0 HB3 HIS A 27 7.084 -10.027 1.833 1.00 2.12 H new ATOM 0 HD2 HIS A 27 6.118 -10.133 5.556 1.00 43.33 H new ATOM 0 HE1 HIS A 27 2.602 -10.957 3.332 1.00 42.03 H new ATOM 0 HE2 HIS A 27 3.526 -10.396 5.631 1.00 30.25 H new ATOM 420 N LYS A 28 7.033 -14.089 1.743 1.00 53.43 N ATOM 421 CA LYS A 28 6.283 -15.032 0.909 1.00 70.23 C ATOM 422 C LYS A 28 4.881 -15.290 1.477 1.00 41.12 C ATOM 423 O LYS A 28 4.600 -14.978 2.635 1.00 13.03 O ATOM 424 CB LYS A 28 7.068 -16.347 0.770 1.00 42.34 C ATOM 425 CG LYS A 28 7.465 -16.980 2.099 1.00 5.25 C ATOM 426 CD LYS A 28 8.417 -18.158 1.904 1.00 4.24 C ATOM 427 CE LYS A 28 8.838 -18.778 3.233 1.00 34.43 C ATOM 428 NZ LYS A 28 7.687 -19.359 3.973 1.00 13.21 N ATOM 0 H LYS A 28 7.657 -14.534 2.416 1.00 53.43 H new ATOM 0 HA LYS A 28 6.157 -14.590 -0.079 1.00 70.23 H new ATOM 0 HB2 LYS A 28 6.465 -17.059 0.207 1.00 42.34 H new ATOM 0 HB3 LYS A 28 7.969 -16.160 0.186 1.00 42.34 H new ATOM 0 HG2 LYS A 28 7.940 -16.230 2.731 1.00 5.25 H new ATOM 0 HG3 LYS A 28 6.571 -17.318 2.622 1.00 5.25 H new ATOM 0 HD2 LYS A 28 7.934 -18.916 1.287 1.00 4.24 H new ATOM 0 HD3 LYS A 28 9.302 -17.823 1.363 1.00 4.24 H new ATOM 0 HE2 LYS A 28 9.580 -19.556 3.050 1.00 34.43 H new ATOM 0 HE3 LYS A 28 9.318 -18.018 3.850 1.00 34.43 H new ATOM 0 HZ1 LYS A 28 8.036 -19.885 4.799 1.00 13.21 H new ATOM 0 HZ2 LYS A 28 7.057 -18.595 4.290 1.00 13.21 H new ATOM 0 HZ3 LYS A 28 7.162 -20.004 3.348 1.00 13.21 H new ATOM 442 N GLY A 29 4.001 -15.856 0.658 1.00 34.40 N ATOM 443 CA GLY A 29 2.616 -16.049 1.068 1.00 3.52 C ATOM 444 C GLY A 29 1.751 -14.813 0.819 1.00 43.44 C ATOM 445 O GLY A 29 2.139 -13.914 0.070 1.00 21.41 O ATOM 0 H GLY A 29 4.219 -16.185 -0.282 1.00 34.40 H new ATOM 0 HA2 GLY A 29 2.196 -16.897 0.527 1.00 3.52 H new ATOM 0 HA3 GLY A 29 2.587 -16.301 2.128 1.00 3.52 H new ATOM 449 N ASN A 30 0.584 -14.759 1.459 1.00 34.31 N ATOM 450 CA ASN A 30 -0.366 -13.654 1.259 1.00 64.32 C ATOM 451 C ASN A 30 -0.621 -12.878 2.562 1.00 63.21 C ATOM 452 O ASN A 30 -0.618 -13.450 3.651 1.00 31.04 O ATOM 453 CB ASN A 30 -1.689 -14.206 0.721 1.00 63.04 C ATOM 454 CG ASN A 30 -2.687 -13.119 0.377 1.00 15.34 C ATOM 455 OD1 ASN A 30 -3.475 -12.688 1.213 1.00 4.40 O ATOM 456 ND2 ASN A 30 -2.673 -12.678 -0.859 1.00 61.40 N ATOM 0 H ASN A 30 0.269 -15.467 2.123 1.00 34.31 H new ATOM 0 HA ASN A 30 0.071 -12.962 0.539 1.00 64.32 H new ATOM 0 HB2 ASN A 30 -1.492 -14.805 -0.168 1.00 63.04 H new ATOM 0 HB3 ASN A 30 -2.127 -14.872 1.464 1.00 63.04 H new ATOM 0 HD21 ASN A 30 -3.331 -11.955 -1.150 1.00 61.40 H new ATOM 0 HD22 ASN A 30 -2.004 -13.058 -1.529 1.00 61.40 H new ATOM 463 N GLU A 31 -0.850 -11.576 2.433 1.00 33.45 N ATOM 464 CA GLU A 31 -1.132 -10.709 3.584 1.00 70.05 C ATOM 465 C GLU A 31 -2.039 -9.537 3.177 1.00 74.50 C ATOM 466 O GLU A 31 -1.905 -8.998 2.082 1.00 51.41 O ATOM 467 CB GLU A 31 0.184 -10.180 4.169 1.00 53.21 C ATOM 468 CG GLU A 31 0.016 -9.296 5.401 1.00 32.20 C ATOM 469 CD GLU A 31 1.351 -8.880 6.001 1.00 54.13 C ATOM 470 OE1 GLU A 31 1.989 -9.721 6.674 1.00 55.33 O ATOM 471 OE2 GLU A 31 1.772 -7.726 5.801 1.00 54.31 O ATOM 0 H GLU A 31 -0.847 -11.089 1.537 1.00 33.45 H new ATOM 0 HA GLU A 31 -1.653 -11.295 4.341 1.00 70.05 H new ATOM 0 HB2 GLU A 31 0.819 -11.027 4.429 1.00 53.21 H new ATOM 0 HB3 GLU A 31 0.708 -9.614 3.399 1.00 53.21 H new ATOM 0 HG2 GLU A 31 -0.552 -8.405 5.131 1.00 32.20 H new ATOM 0 HG3 GLU A 31 -0.566 -9.830 6.152 1.00 32.20 H new ATOM 478 N GLN A 32 -2.965 -9.153 4.054 1.00 25.34 N ATOM 479 CA GLN A 32 -3.894 -8.044 3.772 1.00 0.41 C ATOM 480 C GLN A 32 -3.978 -7.049 4.943 1.00 62.05 C ATOM 481 O GLN A 32 -3.851 -7.432 6.108 1.00 23.03 O ATOM 482 CB GLN A 32 -5.302 -8.586 3.476 1.00 33.41 C ATOM 483 CG GLN A 32 -5.397 -9.451 2.224 1.00 53.40 C ATOM 484 CD GLN A 32 -6.811 -9.946 1.968 1.00 32.40 C ATOM 485 OE1 GLN A 32 -7.787 -9.294 2.326 1.00 30.42 O ATOM 486 NE2 GLN A 32 -6.938 -11.098 1.342 1.00 42.22 N ATOM 0 H GLN A 32 -3.097 -9.589 4.967 1.00 25.34 H new ATOM 0 HA GLN A 32 -3.504 -7.518 2.901 1.00 0.41 H new ATOM 0 HB2 GLN A 32 -5.640 -9.170 4.332 1.00 33.41 H new ATOM 0 HB3 GLN A 32 -5.987 -7.745 3.374 1.00 33.41 H new ATOM 0 HG2 GLN A 32 -5.054 -8.878 1.363 1.00 53.40 H new ATOM 0 HG3 GLN A 32 -4.728 -10.306 2.325 1.00 53.40 H new ATOM 0 HE21 GLN A 32 -6.108 -11.618 1.057 1.00 42.22 H new ATOM 0 HE22 GLN A 32 -7.866 -11.470 1.143 1.00 42.22 H new ATOM 495 N PHE A 33 -4.198 -5.771 4.622 1.00 23.20 N ATOM 496 CA PHE A 33 -4.422 -4.732 5.642 1.00 3.41 C ATOM 497 C PHE A 33 -5.267 -3.568 5.085 1.00 61.21 C ATOM 498 O PHE A 33 -5.087 -3.144 3.941 1.00 45.15 O ATOM 499 CB PHE A 33 -3.084 -4.219 6.211 1.00 52.43 C ATOM 500 CG PHE A 33 -2.136 -3.640 5.185 1.00 71.32 C ATOM 501 CD1 PHE A 33 -1.337 -4.472 4.409 1.00 44.24 C ATOM 502 CD2 PHE A 33 -2.026 -2.266 5.013 1.00 2.52 C ATOM 503 CE1 PHE A 33 -0.456 -3.944 3.484 1.00 55.03 C ATOM 504 CE2 PHE A 33 -1.147 -1.735 4.088 1.00 74.14 C ATOM 505 CZ PHE A 33 -0.360 -2.575 3.323 1.00 50.34 C ATOM 0 H PHE A 33 -4.227 -5.426 3.662 1.00 23.20 H new ATOM 0 HA PHE A 33 -4.984 -5.187 6.457 1.00 3.41 H new ATOM 0 HB2 PHE A 33 -3.293 -3.457 6.962 1.00 52.43 H new ATOM 0 HB3 PHE A 33 -2.584 -5.042 6.723 1.00 52.43 H new ATOM 0 HD1 PHE A 33 -1.405 -5.543 4.530 1.00 44.24 H new ATOM 0 HD2 PHE A 33 -2.635 -1.604 5.610 1.00 2.52 H new ATOM 0 HE1 PHE A 33 0.158 -4.602 2.887 1.00 55.03 H new ATOM 0 HE2 PHE A 33 -1.075 -0.665 3.963 1.00 74.14 H new ATOM 0 HZ PHE A 33 0.329 -2.162 2.601 1.00 50.34 H new ATOM 515 N THR A 34 -6.194 -3.062 5.902 1.00 63.31 N ATOM 516 CA THR A 34 -7.141 -2.023 5.464 1.00 35.44 C ATOM 517 C THR A 34 -6.747 -0.628 5.975 1.00 41.13 C ATOM 518 O THR A 34 -6.769 -0.365 7.178 1.00 52.40 O ATOM 519 CB THR A 34 -8.580 -2.338 5.944 1.00 62.00 C ATOM 520 OG1 THR A 34 -8.965 -3.654 5.519 1.00 63.32 O ATOM 521 CG2 THR A 34 -9.584 -1.318 5.408 1.00 63.13 C ATOM 0 H THR A 34 -6.312 -3.353 6.872 1.00 63.31 H new ATOM 0 HA THR A 34 -7.107 -2.021 4.375 1.00 35.44 H new ATOM 0 HB THR A 34 -8.584 -2.286 7.033 1.00 62.00 H new ATOM 0 HG1 THR A 34 -9.875 -3.845 5.829 1.00 63.32 H new ATOM 0 HG21 THR A 34 -10.583 -1.569 5.764 1.00 63.13 H new ATOM 0 HG22 THR A 34 -9.313 -0.322 5.759 1.00 63.13 H new ATOM 0 HG23 THR A 34 -9.573 -1.334 4.318 1.00 63.13 H new ATOM 529 N ILE A 35 -6.400 0.262 5.049 1.00 54.14 N ATOM 530 CA ILE A 35 -6.037 1.644 5.383 1.00 51.15 C ATOM 531 C ILE A 35 -7.281 2.548 5.466 1.00 14.42 C ATOM 532 O ILE A 35 -7.854 2.919 4.443 1.00 72.32 O ATOM 533 CB ILE A 35 -5.068 2.228 4.322 1.00 42.35 C ATOM 534 CG1 ILE A 35 -3.858 1.298 4.126 1.00 55.11 C ATOM 535 CG2 ILE A 35 -4.610 3.631 4.724 1.00 22.41 C ATOM 536 CD1 ILE A 35 -2.934 1.728 3.003 1.00 25.32 C ATOM 0 H ILE A 35 -6.361 0.052 4.052 1.00 54.14 H new ATOM 0 HA ILE A 35 -5.548 1.619 6.357 1.00 51.15 H new ATOM 0 HB ILE A 35 -5.601 2.302 3.374 1.00 42.35 H new ATOM 0 HG12 ILE A 35 -3.290 1.255 5.055 1.00 55.11 H new ATOM 0 HG13 ILE A 35 -4.216 0.289 3.924 1.00 55.11 H new ATOM 0 HG21 ILE A 35 -3.931 4.023 3.967 1.00 22.41 H new ATOM 0 HG22 ILE A 35 -5.477 4.286 4.808 1.00 22.41 H new ATOM 0 HG23 ILE A 35 -4.095 3.585 5.684 1.00 22.41 H new ATOM 0 HD11 ILE A 35 -2.105 1.025 2.925 1.00 25.32 H new ATOM 0 HD12 ILE A 35 -3.486 1.744 2.063 1.00 25.32 H new ATOM 0 HD13 ILE A 35 -2.546 2.725 3.213 1.00 25.32 H new ATOM 548 N LYS A 36 -7.701 2.891 6.682 1.00 54.34 N ATOM 549 CA LYS A 36 -8.865 3.770 6.883 1.00 33.13 C ATOM 550 C LYS A 36 -8.424 5.207 7.211 1.00 35.20 C ATOM 551 O LYS A 36 -7.667 5.432 8.158 1.00 21.02 O ATOM 552 CB LYS A 36 -9.758 3.226 8.008 1.00 14.33 C ATOM 553 CG LYS A 36 -10.289 1.819 7.747 1.00 45.44 C ATOM 554 CD LYS A 36 -11.225 1.353 8.861 1.00 60.30 C ATOM 555 CE LYS A 36 -11.717 -0.072 8.631 1.00 63.33 C ATOM 556 NZ LYS A 36 -12.652 -0.515 9.697 1.00 13.42 N ATOM 0 H LYS A 36 -7.258 2.577 7.545 1.00 54.34 H new ATOM 0 HA LYS A 36 -9.434 3.790 5.954 1.00 33.13 H new ATOM 0 HB2 LYS A 36 -9.192 3.224 8.940 1.00 14.33 H new ATOM 0 HB3 LYS A 36 -10.601 3.902 8.149 1.00 14.33 H new ATOM 0 HG2 LYS A 36 -10.819 1.801 6.795 1.00 45.44 H new ATOM 0 HG3 LYS A 36 -9.453 1.125 7.660 1.00 45.44 H new ATOM 0 HD2 LYS A 36 -10.706 1.408 9.818 1.00 60.30 H new ATOM 0 HD3 LYS A 36 -12.080 2.027 8.923 1.00 60.30 H new ATOM 0 HE2 LYS A 36 -12.215 -0.132 7.663 1.00 63.33 H new ATOM 0 HE3 LYS A 36 -10.863 -0.749 8.593 1.00 63.33 H new ATOM 0 HZ1 LYS A 36 -12.963 -1.488 9.503 1.00 13.42 H new ATOM 0 HZ2 LYS A 36 -12.169 -0.482 10.618 1.00 13.42 H new ATOM 0 HZ3 LYS A 36 -13.479 0.115 9.717 1.00 13.42 H new ATOM 570 N GLY A 37 -8.911 6.176 6.433 1.00 22.55 N ATOM 571 CA GLY A 37 -8.492 7.565 6.610 1.00 10.45 C ATOM 572 C GLY A 37 -9.637 8.531 6.912 1.00 11.11 C ATOM 573 O GLY A 37 -9.844 8.925 8.061 1.00 11.34 O ATOM 0 H GLY A 37 -9.587 6.026 5.684 1.00 22.55 H new ATOM 0 HA2 GLY A 37 -7.767 7.613 7.422 1.00 10.45 H new ATOM 0 HA3 GLY A 37 -7.981 7.896 5.706 1.00 10.45 H new ATOM 577 N LYS A 38 -10.386 8.915 5.878 1.00 3.01 N ATOM 578 CA LYS A 38 -11.433 9.943 6.014 1.00 61.24 C ATOM 579 C LYS A 38 -12.840 9.346 5.781 1.00 12.15 C ATOM 580 O LYS A 38 -12.996 8.127 5.700 1.00 21.12 O ATOM 581 CB LYS A 38 -11.157 11.088 5.017 1.00 45.01 C ATOM 582 CG LYS A 38 -11.534 12.493 5.511 1.00 55.10 C ATOM 583 CD LYS A 38 -10.442 13.133 6.379 1.00 51.32 C ATOM 584 CE LYS A 38 -10.364 12.548 7.790 1.00 73.42 C ATOM 585 NZ LYS A 38 -11.576 12.860 8.595 1.00 33.53 N ATOM 0 H LYS A 38 -10.292 8.534 4.937 1.00 3.01 H new ATOM 0 HA LYS A 38 -11.409 10.334 7.031 1.00 61.24 H new ATOM 0 HB2 LYS A 38 -10.096 11.081 4.766 1.00 45.01 H new ATOM 0 HB3 LYS A 38 -11.704 10.886 4.096 1.00 45.01 H new ATOM 0 HG2 LYS A 38 -11.731 13.134 4.652 1.00 55.10 H new ATOM 0 HG3 LYS A 38 -12.459 12.435 6.084 1.00 55.10 H new ATOM 0 HD2 LYS A 38 -9.477 13.006 5.888 1.00 51.32 H new ATOM 0 HD3 LYS A 38 -10.626 14.205 6.448 1.00 51.32 H new ATOM 0 HE2 LYS A 38 -10.240 11.467 7.727 1.00 73.42 H new ATOM 0 HE3 LYS A 38 -9.482 12.941 8.296 1.00 73.42 H new ATOM 0 HZ1 LYS A 38 -11.394 12.642 9.595 1.00 33.53 H new ATOM 0 HZ2 LYS A 38 -11.808 13.869 8.497 1.00 33.53 H new ATOM 0 HZ3 LYS A 38 -12.375 12.287 8.256 1.00 33.53 H new ATOM 599 N GLY A 39 -13.851 10.220 5.671 1.00 2.03 N ATOM 600 CA GLY A 39 -15.242 9.789 5.494 1.00 2.23 C ATOM 601 C GLY A 39 -15.434 8.673 4.468 1.00 4.13 C ATOM 602 O GLY A 39 -15.431 8.921 3.260 1.00 74.50 O ATOM 0 H GLY A 39 -13.729 11.232 5.702 1.00 2.03 H new ATOM 0 HA2 GLY A 39 -15.630 9.452 6.455 1.00 2.23 H new ATOM 0 HA3 GLY A 39 -15.840 10.649 5.193 1.00 2.23 H new ATOM 606 N ALA A 40 -15.572 7.437 4.968 1.00 31.21 N ATOM 607 CA ALA A 40 -15.812 6.248 4.133 1.00 51.23 C ATOM 608 C ALA A 40 -14.615 5.889 3.230 1.00 45.24 C ATOM 609 O ALA A 40 -14.641 4.872 2.538 1.00 54.02 O ATOM 610 CB ALA A 40 -17.078 6.427 3.296 1.00 12.24 C ATOM 0 H ALA A 40 -15.520 7.231 5.966 1.00 31.21 H new ATOM 0 HA ALA A 40 -15.946 5.411 4.818 1.00 51.23 H new ATOM 0 HB1 ALA A 40 -17.239 5.539 2.685 1.00 12.24 H new ATOM 0 HB2 ALA A 40 -17.933 6.574 3.956 1.00 12.24 H new ATOM 0 HB3 ALA A 40 -16.966 7.297 2.649 1.00 12.24 H new ATOM 616 N GLN A 41 -13.561 6.699 3.262 1.00 71.51 N ATOM 617 CA GLN A 41 -12.411 6.515 2.368 1.00 31.03 C ATOM 618 C GLN A 41 -11.381 5.532 2.952 1.00 3.41 C ATOM 619 O GLN A 41 -10.720 5.827 3.953 1.00 63.52 O ATOM 620 CB GLN A 41 -11.742 7.870 2.088 1.00 72.03 C ATOM 621 CG GLN A 41 -12.669 8.916 1.467 1.00 32.33 C ATOM 622 CD GLN A 41 -13.161 8.547 0.070 1.00 21.04 C ATOM 623 OE1 GLN A 41 -13.318 7.378 -0.271 1.00 41.13 O ATOM 624 NE2 GLN A 41 -13.403 9.545 -0.753 1.00 70.12 N ATOM 0 H GLN A 41 -13.475 7.492 3.897 1.00 71.51 H new ATOM 0 HA GLN A 41 -12.783 6.089 1.436 1.00 31.03 H new ATOM 0 HB2 GLN A 41 -11.343 8.265 3.023 1.00 72.03 H new ATOM 0 HB3 GLN A 41 -10.894 7.712 1.421 1.00 72.03 H new ATOM 0 HG2 GLN A 41 -13.530 9.059 2.120 1.00 32.33 H new ATOM 0 HG3 GLN A 41 -12.144 9.870 1.418 1.00 32.33 H new ATOM 0 HE21 GLN A 41 -13.264 10.507 -0.443 1.00 70.12 H new ATOM 0 HE22 GLN A 41 -13.730 9.357 -1.701 1.00 70.12 H new ATOM 633 N TYR A 42 -11.241 4.370 2.308 1.00 23.13 N ATOM 634 CA TYR A 42 -10.304 3.327 2.763 1.00 31.14 C ATOM 635 C TYR A 42 -9.583 2.655 1.579 1.00 44.41 C ATOM 636 O TYR A 42 -10.009 2.771 0.430 1.00 53.13 O ATOM 637 CB TYR A 42 -11.052 2.259 3.578 1.00 34.03 C ATOM 638 CG TYR A 42 -12.024 1.429 2.753 1.00 1.31 C ATOM 639 CD1 TYR A 42 -13.215 1.976 2.289 1.00 31.40 C ATOM 640 CD2 TYR A 42 -11.749 0.100 2.433 1.00 13.11 C ATOM 641 CE1 TYR A 42 -14.097 1.233 1.532 1.00 13.34 C ATOM 642 CE2 TYR A 42 -12.630 -0.650 1.676 1.00 45.43 C ATOM 643 CZ TYR A 42 -13.802 -0.078 1.229 1.00 44.51 C ATOM 644 OH TYR A 42 -14.685 -0.819 0.472 1.00 61.21 O ATOM 0 H TYR A 42 -11.764 4.123 1.468 1.00 23.13 H new ATOM 0 HA TYR A 42 -9.555 3.812 3.389 1.00 31.14 H new ATOM 0 HB2 TYR A 42 -10.324 1.594 4.043 1.00 34.03 H new ATOM 0 HB3 TYR A 42 -11.599 2.747 4.385 1.00 34.03 H new ATOM 0 HD1 TYR A 42 -13.454 3.002 2.526 1.00 31.40 H new ATOM 0 HD2 TYR A 42 -10.832 -0.351 2.782 1.00 13.11 H new ATOM 0 HE1 TYR A 42 -15.015 1.678 1.178 1.00 13.34 H new ATOM 0 HE2 TYR A 42 -12.401 -1.678 1.436 1.00 45.43 H new ATOM 0 HH TYR A 42 -14.329 -1.723 0.346 1.00 61.21 H new ATOM 654 N ASN A 43 -8.487 1.953 1.871 1.00 21.21 N ATOM 655 CA ASN A 43 -7.754 1.175 0.860 1.00 33.54 C ATOM 656 C ASN A 43 -7.376 -0.214 1.392 1.00 35.13 C ATOM 657 O ASN A 43 -6.572 -0.336 2.315 1.00 25.20 O ATOM 658 CB ASN A 43 -6.480 1.915 0.416 1.00 75.54 C ATOM 659 CG ASN A 43 -6.779 3.108 -0.471 1.00 63.52 C ATOM 660 OD1 ASN A 43 -6.993 4.214 0.006 1.00 31.32 O ATOM 661 ND2 ASN A 43 -6.805 2.895 -1.770 1.00 70.00 N ATOM 0 H ASN A 43 -8.082 1.905 2.806 1.00 21.21 H new ATOM 0 HA ASN A 43 -8.417 1.055 0.003 1.00 33.54 H new ATOM 0 HB2 ASN A 43 -5.933 2.250 1.297 1.00 75.54 H new ATOM 0 HB3 ASN A 43 -5.830 1.223 -0.119 1.00 75.54 H new ATOM 0 HD21 ASN A 43 -7.008 3.664 -2.409 1.00 70.00 H new ATOM 0 HD22 ASN A 43 -6.622 1.961 -2.137 1.00 70.00 H new ATOM 668 N LEU A 44 -7.961 -1.258 0.812 1.00 53.53 N ATOM 669 CA LEU A 44 -7.608 -2.635 1.169 1.00 63.11 C ATOM 670 C LEU A 44 -6.377 -3.089 0.373 1.00 72.00 C ATOM 671 O LEU A 44 -6.468 -3.385 -0.820 1.00 1.34 O ATOM 672 CB LEU A 44 -8.789 -3.585 0.905 1.00 40.24 C ATOM 673 CG LEU A 44 -8.532 -5.068 1.238 1.00 11.54 C ATOM 674 CD1 LEU A 44 -8.197 -5.243 2.718 1.00 45.52 C ATOM 675 CD2 LEU A 44 -9.738 -5.923 0.845 1.00 52.43 C ATOM 0 H LEU A 44 -8.681 -1.181 0.094 1.00 53.53 H new ATOM 0 HA LEU A 44 -7.373 -2.665 2.233 1.00 63.11 H new ATOM 0 HB2 LEU A 44 -9.645 -3.243 1.486 1.00 40.24 H new ATOM 0 HB3 LEU A 44 -9.066 -3.509 -0.146 1.00 40.24 H new ATOM 0 HG LEU A 44 -7.672 -5.405 0.659 1.00 11.54 H new ATOM 0 HD11 LEU A 44 -8.020 -6.298 2.929 1.00 45.52 H new ATOM 0 HD12 LEU A 44 -7.302 -4.669 2.959 1.00 45.52 H new ATOM 0 HD13 LEU A 44 -9.030 -4.887 3.324 1.00 45.52 H new ATOM 0 HD21 LEU A 44 -9.538 -6.967 1.087 1.00 52.43 H new ATOM 0 HD22 LEU A 44 -10.618 -5.585 1.393 1.00 52.43 H new ATOM 0 HD23 LEU A 44 -9.918 -5.827 -0.226 1.00 52.43 H new ATOM 687 N MET A 45 -5.227 -3.122 1.037 1.00 52.45 N ATOM 688 CA MET A 45 -3.963 -3.485 0.387 1.00 11.11 C ATOM 689 C MET A 45 -3.637 -4.972 0.591 1.00 5.31 C ATOM 690 O MET A 45 -3.949 -5.551 1.634 1.00 12.42 O ATOM 691 CB MET A 45 -2.827 -2.621 0.945 1.00 54.03 C ATOM 692 CG MET A 45 -3.076 -1.123 0.814 1.00 62.33 C ATOM 693 SD MET A 45 -3.157 -0.570 -0.900 1.00 4.22 S ATOM 694 CE MET A 45 -1.474 -0.865 -1.439 1.00 71.44 C ATOM 0 H MET A 45 -5.139 -2.902 2.029 1.00 52.45 H new ATOM 0 HA MET A 45 -4.068 -3.306 -0.683 1.00 11.11 H new ATOM 0 HB2 MET A 45 -2.680 -2.865 1.997 1.00 54.03 H new ATOM 0 HB3 MET A 45 -1.902 -2.873 0.427 1.00 54.03 H new ATOM 0 HG2 MET A 45 -4.010 -0.870 1.316 1.00 62.33 H new ATOM 0 HG3 MET A 45 -2.281 -0.582 1.328 1.00 62.33 H new ATOM 0 HE1 MET A 45 -1.013 0.080 -1.728 1.00 71.44 H new ATOM 0 HE2 MET A 45 -0.904 -1.313 -0.625 1.00 71.44 H new ATOM 0 HE3 MET A 45 -1.479 -1.542 -2.293 1.00 71.44 H new ATOM 704 N GLU A 46 -3.002 -5.579 -0.411 1.00 61.51 N ATOM 705 CA GLU A 46 -2.652 -7.005 -0.364 1.00 54.24 C ATOM 706 C GLU A 46 -1.195 -7.254 -0.791 1.00 43.30 C ATOM 707 O GLU A 46 -0.779 -6.875 -1.889 1.00 62.22 O ATOM 708 CB GLU A 46 -3.604 -7.809 -1.261 1.00 4.32 C ATOM 709 CG GLU A 46 -3.259 -9.293 -1.358 1.00 72.40 C ATOM 710 CD GLU A 46 -4.258 -10.081 -2.192 1.00 61.54 C ATOM 711 OE1 GLU A 46 -4.304 -9.882 -3.420 1.00 11.34 O ATOM 712 OE2 GLU A 46 -5.008 -10.901 -1.620 1.00 21.30 O ATOM 0 H GLU A 46 -2.717 -5.107 -1.269 1.00 61.51 H new ATOM 0 HA GLU A 46 -2.755 -7.335 0.670 1.00 54.24 H new ATOM 0 HB2 GLU A 46 -4.620 -7.707 -0.879 1.00 4.32 H new ATOM 0 HB3 GLU A 46 -3.595 -7.378 -2.262 1.00 4.32 H new ATOM 0 HG2 GLU A 46 -2.265 -9.402 -1.792 1.00 72.40 H new ATOM 0 HG3 GLU A 46 -3.217 -9.717 -0.355 1.00 72.40 H new ATOM 719 N VAL A 47 -0.427 -7.883 0.097 1.00 22.14 N ATOM 720 CA VAL A 47 0.941 -8.319 -0.204 1.00 72.55 C ATOM 721 C VAL A 47 0.972 -9.837 -0.455 1.00 0.42 C ATOM 722 O VAL A 47 0.839 -10.631 0.479 1.00 23.50 O ATOM 723 CB VAL A 47 1.911 -7.975 0.959 1.00 52.11 C ATOM 724 CG1 VAL A 47 3.342 -8.392 0.620 1.00 0.03 C ATOM 725 CG2 VAL A 47 1.843 -6.487 1.295 1.00 31.10 C ATOM 0 H VAL A 47 -0.732 -8.106 1.044 1.00 22.14 H new ATOM 0 HA VAL A 47 1.267 -7.790 -1.099 1.00 72.55 H new ATOM 0 HB VAL A 47 1.598 -8.538 1.839 1.00 52.11 H new ATOM 0 HG11 VAL A 47 4.001 -8.140 1.451 1.00 0.03 H new ATOM 0 HG12 VAL A 47 3.376 -9.467 0.444 1.00 0.03 H new ATOM 0 HG13 VAL A 47 3.671 -7.867 -0.277 1.00 0.03 H new ATOM 0 HG21 VAL A 47 2.530 -6.267 2.112 1.00 31.10 H new ATOM 0 HG22 VAL A 47 2.123 -5.903 0.418 1.00 31.10 H new ATOM 0 HG23 VAL A 47 0.828 -6.228 1.595 1.00 31.10 H new ATOM 735 N ASP A 48 1.152 -10.236 -1.712 1.00 5.24 N ATOM 736 CA ASP A 48 1.098 -11.653 -2.097 1.00 3.42 C ATOM 737 C ASP A 48 2.323 -12.058 -2.932 1.00 44.52 C ATOM 738 O ASP A 48 2.430 -11.708 -4.103 1.00 53.21 O ATOM 739 CB ASP A 48 -0.192 -11.919 -2.881 1.00 63.54 C ATOM 740 CG ASP A 48 -0.342 -13.371 -3.300 1.00 44.54 C ATOM 741 OD1 ASP A 48 -0.703 -14.205 -2.445 1.00 52.51 O ATOM 742 OD2 ASP A 48 -0.123 -13.687 -4.487 1.00 61.22 O ATOM 0 H ASP A 48 1.337 -9.599 -2.487 1.00 5.24 H new ATOM 0 HA ASP A 48 1.107 -12.257 -1.189 1.00 3.42 H new ATOM 0 HB2 ASP A 48 -1.048 -11.633 -2.270 1.00 63.54 H new ATOM 0 HB3 ASP A 48 -0.208 -11.287 -3.769 1.00 63.54 H new ATOM 747 N GLY A 49 3.245 -12.798 -2.317 1.00 21.32 N ATOM 748 CA GLY A 49 4.438 -13.266 -3.022 1.00 23.22 C ATOM 749 C GLY A 49 5.485 -12.177 -3.265 1.00 41.12 C ATOM 750 O GLY A 49 5.900 -11.950 -4.403 1.00 74.40 O ATOM 0 H GLY A 49 3.190 -13.085 -1.340 1.00 21.32 H new ATOM 0 HA2 GLY A 49 4.894 -14.072 -2.447 1.00 23.22 H new ATOM 0 HA3 GLY A 49 4.138 -13.688 -3.981 1.00 23.22 H new ATOM 754 N GLU A 50 5.916 -11.508 -2.187 1.00 42.54 N ATOM 755 CA GLU A 50 6.965 -10.469 -2.259 1.00 10.31 C ATOM 756 C GLU A 50 6.542 -9.251 -3.106 1.00 73.43 C ATOM 757 O GLU A 50 7.389 -8.514 -3.604 1.00 24.51 O ATOM 758 CB GLU A 50 8.261 -11.062 -2.833 1.00 51.33 C ATOM 759 CG GLU A 50 8.834 -12.218 -2.023 1.00 61.30 C ATOM 760 CD GLU A 50 10.021 -12.867 -2.712 1.00 71.31 C ATOM 761 OE1 GLU A 50 9.806 -13.575 -3.720 1.00 12.24 O ATOM 762 OE2 GLU A 50 11.168 -12.676 -2.254 1.00 72.33 O ATOM 0 H GLU A 50 5.554 -11.666 -1.246 1.00 42.54 H new ATOM 0 HA GLU A 50 7.129 -10.120 -1.239 1.00 10.31 H new ATOM 0 HB2 GLU A 50 8.070 -11.405 -3.850 1.00 51.33 H new ATOM 0 HB3 GLU A 50 9.010 -10.273 -2.898 1.00 51.33 H new ATOM 0 HG2 GLU A 50 9.139 -11.856 -1.041 1.00 61.30 H new ATOM 0 HG3 GLU A 50 8.057 -12.965 -1.860 1.00 61.30 H new ATOM 769 N ARG A 51 5.239 -9.033 -3.246 1.00 71.24 N ATOM 770 CA ARG A 51 4.713 -7.922 -4.054 1.00 13.25 C ATOM 771 C ARG A 51 3.384 -7.407 -3.482 1.00 3.34 C ATOM 772 O ARG A 51 2.613 -8.167 -2.897 1.00 51.45 O ATOM 773 CB ARG A 51 4.546 -8.381 -5.513 1.00 11.14 C ATOM 774 CG ARG A 51 3.971 -9.785 -5.626 1.00 32.03 C ATOM 775 CD ARG A 51 4.070 -10.363 -7.032 1.00 32.31 C ATOM 776 NE ARG A 51 4.042 -11.825 -6.995 1.00 73.02 N ATOM 777 CZ ARG A 51 2.991 -12.557 -7.246 1.00 12.24 C ATOM 778 NH1 ARG A 51 1.870 -12.018 -7.599 1.00 41.24 N ATOM 779 NH2 ARG A 51 3.075 -13.842 -7.140 1.00 24.44 N ATOM 0 H ARG A 51 4.519 -9.610 -2.811 1.00 71.24 H new ATOM 0 HA ARG A 51 5.423 -7.095 -4.023 1.00 13.25 H new ATOM 0 HB2 ARG A 51 3.893 -7.683 -6.037 1.00 11.14 H new ATOM 0 HB3 ARG A 51 5.514 -8.348 -6.013 1.00 11.14 H new ATOM 0 HG2 ARG A 51 4.495 -10.442 -4.932 1.00 32.03 H new ATOM 0 HG3 ARG A 51 2.925 -9.768 -5.320 1.00 32.03 H new ATOM 0 HD2 ARG A 51 3.245 -9.994 -7.641 1.00 32.31 H new ATOM 0 HD3 ARG A 51 4.991 -10.024 -7.505 1.00 32.31 H new ATOM 0 HE ARG A 51 4.908 -12.308 -6.755 1.00 73.02 H new ATOM 0 HH11 ARG A 51 1.796 -11.004 -7.685 1.00 41.24 H new ATOM 0 HH12 ARG A 51 1.059 -12.606 -7.791 1.00 41.24 H new ATOM 0 HH21 ARG A 51 3.956 -14.274 -6.863 1.00 24.44 H new ATOM 0 HH22 ARG A 51 2.260 -14.424 -7.334 1.00 24.44 H new ATOM 793 N ILE A 52 3.125 -6.112 -3.662 1.00 13.14 N ATOM 794 CA ILE A 52 1.949 -5.465 -3.067 1.00 50.31 C ATOM 795 C ILE A 52 1.060 -4.791 -4.129 1.00 11.24 C ATOM 796 O ILE A 52 1.543 -4.330 -5.166 1.00 51.23 O ATOM 797 CB ILE A 52 2.382 -4.411 -2.008 1.00 4.32 C ATOM 798 CG1 ILE A 52 1.154 -3.801 -1.301 1.00 3.54 C ATOM 799 CG2 ILE A 52 3.236 -3.317 -2.652 1.00 23.12 C ATOM 800 CD1 ILE A 52 1.503 -2.830 -0.191 1.00 15.53 C ATOM 0 H ILE A 52 3.712 -5.488 -4.215 1.00 13.14 H new ATOM 0 HA ILE A 52 1.365 -6.249 -2.586 1.00 50.31 H new ATOM 0 HB ILE A 52 2.986 -4.918 -1.255 1.00 4.32 H new ATOM 0 HG12 ILE A 52 0.540 -3.287 -2.040 1.00 3.54 H new ATOM 0 HG13 ILE A 52 0.548 -4.607 -0.888 1.00 3.54 H new ATOM 0 HG21 ILE A 52 3.528 -2.590 -1.894 1.00 23.12 H new ATOM 0 HG22 ILE A 52 4.129 -3.763 -3.090 1.00 23.12 H new ATOM 0 HG23 ILE A 52 2.660 -2.817 -3.431 1.00 23.12 H new ATOM 0 HD11 ILE A 52 0.587 -2.445 0.257 1.00 15.53 H new ATOM 0 HD12 ILE A 52 2.091 -3.343 0.570 1.00 15.53 H new ATOM 0 HD13 ILE A 52 2.083 -2.003 -0.600 1.00 15.53 H new ATOM 812 N ARG A 53 -0.244 -4.760 -3.860 1.00 11.02 N ATOM 813 CA ARG A 53 -1.223 -4.118 -4.743 1.00 13.52 C ATOM 814 C ARG A 53 -2.446 -3.642 -3.947 1.00 12.25 C ATOM 815 O ARG A 53 -2.611 -3.991 -2.776 1.00 52.45 O ATOM 816 CB ARG A 53 -1.694 -5.101 -5.825 1.00 71.32 C ATOM 817 CG ARG A 53 -2.459 -6.299 -5.263 1.00 61.14 C ATOM 818 CD ARG A 53 -3.173 -7.090 -6.354 1.00 54.20 C ATOM 819 NE ARG A 53 -3.897 -8.233 -5.802 1.00 55.45 N ATOM 820 CZ ARG A 53 -4.907 -8.815 -6.387 1.00 60.54 C ATOM 821 NH1 ARG A 53 -5.386 -8.355 -7.495 1.00 43.20 N ATOM 822 NH2 ARG A 53 -5.449 -9.851 -5.843 1.00 51.43 N ATOM 0 H ARG A 53 -0.654 -5.178 -3.025 1.00 11.02 H new ATOM 0 HA ARG A 53 -0.736 -3.261 -5.208 1.00 13.52 H new ATOM 0 HB2 ARG A 53 -2.331 -4.572 -6.534 1.00 71.32 H new ATOM 0 HB3 ARG A 53 -0.828 -5.460 -6.381 1.00 71.32 H new ATOM 0 HG2 ARG A 53 -1.767 -6.955 -4.735 1.00 61.14 H new ATOM 0 HG3 ARG A 53 -3.189 -5.951 -4.532 1.00 61.14 H new ATOM 0 HD2 ARG A 53 -3.869 -6.438 -6.881 1.00 54.20 H new ATOM 0 HD3 ARG A 53 -2.446 -7.439 -7.087 1.00 54.20 H new ATOM 0 HE ARG A 53 -3.593 -8.600 -4.900 1.00 55.45 H new ATOM 0 HH11 ARG A 53 -4.974 -7.526 -7.924 1.00 43.20 H new ATOM 0 HH12 ARG A 53 -6.176 -8.821 -7.941 1.00 43.20 H new ATOM 0 HH21 ARG A 53 -5.088 -10.211 -4.960 1.00 51.43 H new ATOM 0 HH22 ARG A 53 -6.239 -10.310 -6.296 1.00 51.43 H new ATOM 836 N ILE A 54 -3.302 -2.845 -4.582 1.00 32.25 N ATOM 837 CA ILE A 54 -4.605 -2.508 -4.000 1.00 24.52 C ATOM 838 C ILE A 54 -5.630 -3.598 -4.333 1.00 12.32 C ATOM 839 O ILE A 54 -6.030 -3.762 -5.489 1.00 1.42 O ATOM 840 CB ILE A 54 -5.140 -1.141 -4.495 1.00 55.11 C ATOM 841 CG1 ILE A 54 -4.194 -0.009 -4.068 1.00 44.13 C ATOM 842 CG2 ILE A 54 -6.556 -0.889 -3.965 1.00 53.52 C ATOM 843 CD1 ILE A 54 -4.702 1.378 -4.413 1.00 42.41 C ATOM 0 H ILE A 54 -3.122 -2.422 -5.492 1.00 32.25 H new ATOM 0 HA ILE A 54 -4.460 -2.440 -2.922 1.00 24.52 H new ATOM 0 HB ILE A 54 -5.183 -1.163 -5.584 1.00 55.11 H new ATOM 0 HG12 ILE A 54 -4.033 -0.069 -2.992 1.00 44.13 H new ATOM 0 HG13 ILE A 54 -3.225 -0.159 -4.544 1.00 44.13 H new ATOM 0 HG21 ILE A 54 -6.913 0.076 -4.324 1.00 53.52 H new ATOM 0 HG22 ILE A 54 -7.222 -1.676 -4.318 1.00 53.52 H new ATOM 0 HG23 ILE A 54 -6.542 -0.887 -2.875 1.00 53.52 H new ATOM 0 HD11 ILE A 54 -3.980 2.123 -4.080 1.00 42.41 H new ATOM 0 HD12 ILE A 54 -4.836 1.459 -5.492 1.00 42.41 H new ATOM 0 HD13 ILE A 54 -5.656 1.550 -3.915 1.00 42.41 H new ATOM 855 N LYS A 55 -6.042 -4.347 -3.319 1.00 63.44 N ATOM 856 CA LYS A 55 -6.997 -5.439 -3.504 1.00 33.12 C ATOM 857 C LYS A 55 -8.423 -4.899 -3.707 1.00 71.10 C ATOM 858 O LYS A 55 -9.242 -5.523 -4.387 1.00 43.14 O ATOM 859 CB LYS A 55 -6.952 -6.381 -2.294 1.00 22.52 C ATOM 860 CG LYS A 55 -7.714 -7.685 -2.497 1.00 32.24 C ATOM 861 CD LYS A 55 -7.623 -8.589 -1.272 1.00 42.42 C ATOM 862 CE LYS A 55 -8.260 -9.949 -1.528 1.00 55.14 C ATOM 863 NZ LYS A 55 -7.600 -10.674 -2.649 1.00 2.01 N ATOM 0 H LYS A 55 -5.731 -4.220 -2.356 1.00 63.44 H new ATOM 0 HA LYS A 55 -6.717 -5.993 -4.400 1.00 33.12 H new ATOM 0 HB2 LYS A 55 -5.912 -6.612 -2.064 1.00 22.52 H new ATOM 0 HB3 LYS A 55 -7.363 -5.863 -1.427 1.00 22.52 H new ATOM 0 HG2 LYS A 55 -8.760 -7.466 -2.710 1.00 32.24 H new ATOM 0 HG3 LYS A 55 -7.315 -8.208 -3.366 1.00 32.24 H new ATOM 0 HD2 LYS A 55 -6.577 -8.723 -0.995 1.00 42.42 H new ATOM 0 HD3 LYS A 55 -8.117 -8.109 -0.427 1.00 42.42 H new ATOM 0 HE2 LYS A 55 -8.202 -10.553 -0.622 1.00 55.14 H new ATOM 0 HE3 LYS A 55 -9.318 -9.817 -1.755 1.00 55.14 H new ATOM 0 HZ1 LYS A 55 -7.984 -11.638 -2.713 1.00 2.01 H new ATOM 0 HZ2 LYS A 55 -7.779 -10.171 -3.541 1.00 2.01 H new ATOM 0 HZ3 LYS A 55 -6.575 -10.720 -2.477 1.00 2.01 H new ATOM 877 N GLU A 56 -8.707 -3.739 -3.106 1.00 2.25 N ATOM 878 CA GLU A 56 -10.018 -3.086 -3.241 1.00 33.22 C ATOM 879 C GLU A 56 -10.038 -1.715 -2.542 1.00 13.01 C ATOM 880 O GLU A 56 -9.506 -1.566 -1.443 1.00 23.31 O ATOM 881 CB GLU A 56 -11.120 -3.971 -2.636 1.00 3.33 C ATOM 882 CG GLU A 56 -12.532 -3.426 -2.835 1.00 4.13 C ATOM 883 CD GLU A 56 -13.061 -3.643 -4.247 1.00 73.55 C ATOM 884 OE1 GLU A 56 -12.545 -3.012 -5.193 1.00 52.43 O ATOM 885 OE2 GLU A 56 -14.009 -4.445 -4.411 1.00 71.14 O ATOM 0 H GLU A 56 -8.046 -3.230 -2.519 1.00 2.25 H new ATOM 0 HA GLU A 56 -10.201 -2.940 -4.306 1.00 33.22 H new ATOM 0 HB2 GLU A 56 -11.059 -4.964 -3.080 1.00 3.33 H new ATOM 0 HB3 GLU A 56 -10.933 -4.087 -1.568 1.00 3.33 H new ATOM 0 HG2 GLU A 56 -13.204 -3.906 -2.124 1.00 4.13 H new ATOM 0 HG3 GLU A 56 -12.539 -2.359 -2.610 1.00 4.13 H new ATOM 892 N ASP A 57 -10.655 -0.718 -3.175 1.00 5.32 N ATOM 893 CA ASP A 57 -10.871 0.585 -2.535 1.00 33.41 C ATOM 894 C ASP A 57 -11.966 1.382 -3.262 1.00 14.13 C ATOM 895 O ASP A 57 -12.245 1.154 -4.440 1.00 64.23 O ATOM 896 CB ASP A 57 -9.562 1.395 -2.459 1.00 61.25 C ATOM 897 CG ASP A 57 -9.158 2.046 -3.772 1.00 52.25 C ATOM 898 OD1 ASP A 57 -9.046 1.334 -4.785 1.00 33.24 O ATOM 899 OD2 ASP A 57 -8.954 3.283 -3.789 1.00 65.41 O ATOM 0 H ASP A 57 -11.014 -0.784 -4.127 1.00 5.32 H new ATOM 0 HA ASP A 57 -11.208 0.400 -1.515 1.00 33.41 H new ATOM 0 HB2 ASP A 57 -9.670 2.170 -1.700 1.00 61.25 H new ATOM 0 HB3 ASP A 57 -8.758 0.736 -2.130 1.00 61.25 H new ATOM 904 N ASN A 58 -12.592 2.316 -2.552 1.00 2.32 N ATOM 905 CA ASN A 58 -13.695 3.104 -3.115 1.00 63.41 C ATOM 906 C ASN A 58 -13.201 4.429 -3.723 1.00 62.31 C ATOM 907 O ASN A 58 -13.454 5.511 -3.188 1.00 42.55 O ATOM 908 CB ASN A 58 -14.768 3.362 -2.044 1.00 32.41 C ATOM 909 CG ASN A 58 -14.224 4.072 -0.814 1.00 63.42 C ATOM 910 OD1 ASN A 58 -13.058 3.934 -0.456 1.00 50.12 O ATOM 911 ND2 ASN A 58 -15.066 4.835 -0.152 1.00 23.42 N ATOM 0 H ASN A 58 -12.358 2.549 -1.587 1.00 2.32 H new ATOM 0 HA ASN A 58 -14.138 2.523 -3.924 1.00 63.41 H new ATOM 0 HB2 ASN A 58 -15.569 3.961 -2.477 1.00 32.41 H new ATOM 0 HB3 ASN A 58 -15.208 2.411 -1.743 1.00 32.41 H new ATOM 0 HD21 ASN A 58 -14.756 5.332 0.683 1.00 23.42 H new ATOM 0 HD22 ASN A 58 -16.029 4.930 -0.474 1.00 23.42 H new ATOM 918 N SER A 59 -12.472 4.337 -4.830 1.00 23.15 N ATOM 919 CA SER A 59 -12.003 5.534 -5.549 1.00 21.21 C ATOM 920 C SER A 59 -12.393 5.464 -7.029 1.00 12.40 C ATOM 921 O SER A 59 -12.325 4.400 -7.638 1.00 30.35 O ATOM 922 CB SER A 59 -10.475 5.688 -5.434 1.00 22.41 C ATOM 923 OG SER A 59 -9.791 4.665 -6.141 1.00 41.03 O ATOM 0 H SER A 59 -12.190 3.453 -5.254 1.00 23.15 H new ATOM 0 HA SER A 59 -12.481 6.399 -5.089 1.00 21.21 H new ATOM 0 HB2 SER A 59 -10.177 6.662 -5.823 1.00 22.41 H new ATOM 0 HB3 SER A 59 -10.184 5.662 -4.384 1.00 22.41 H new ATOM 0 HG SER A 59 -9.396 4.034 -5.503 1.00 41.03 H new ATOM 929 N PRO A 60 -12.805 6.595 -7.635 1.00 74.11 N ATOM 930 CA PRO A 60 -13.141 6.634 -9.068 1.00 14.50 C ATOM 931 C PRO A 60 -11.890 6.524 -9.956 1.00 3.15 C ATOM 932 O PRO A 60 -11.972 6.217 -11.147 1.00 61.30 O ATOM 933 CB PRO A 60 -13.818 8.000 -9.238 1.00 41.25 C ATOM 934 CG PRO A 60 -13.263 8.843 -8.138 1.00 15.32 C ATOM 935 CD PRO A 60 -12.972 7.911 -6.986 1.00 32.24 C ATOM 0 HA PRO A 60 -13.774 5.799 -9.368 1.00 14.50 H new ATOM 0 HB2 PRO A 60 -13.599 8.431 -10.215 1.00 41.25 H new ATOM 0 HB3 PRO A 60 -14.902 7.916 -9.163 1.00 41.25 H new ATOM 0 HG2 PRO A 60 -12.356 9.354 -8.461 1.00 15.32 H new ATOM 0 HG3 PRO A 60 -13.975 9.613 -7.843 1.00 15.32 H new ATOM 0 HD2 PRO A 60 -12.073 8.209 -6.447 1.00 32.24 H new ATOM 0 HD3 PRO A 60 -13.788 7.901 -6.263 1.00 32.24 H new ATOM 943 N ASP A 61 -10.734 6.782 -9.354 1.00 65.23 N ATOM 944 CA ASP A 61 -9.442 6.690 -10.036 1.00 63.31 C ATOM 945 C ASP A 61 -8.945 5.234 -10.124 1.00 52.32 C ATOM 946 O ASP A 61 -8.609 4.749 -11.205 1.00 33.15 O ATOM 947 CB ASP A 61 -8.418 7.547 -9.288 1.00 13.13 C ATOM 948 CG ASP A 61 -8.860 8.995 -9.167 1.00 64.01 C ATOM 949 OD1 ASP A 61 -9.864 9.259 -8.474 1.00 24.10 O ATOM 950 OD2 ASP A 61 -8.200 9.878 -9.756 1.00 0.42 O ATOM 0 H ASP A 61 -10.663 7.062 -8.376 1.00 65.23 H new ATOM 0 HA ASP A 61 -9.566 7.056 -11.055 1.00 63.31 H new ATOM 0 HB2 ASP A 61 -8.259 7.133 -8.292 1.00 13.13 H new ATOM 0 HB3 ASP A 61 -7.461 7.503 -9.808 1.00 13.13 H new ATOM 955 N GLN A 62 -8.895 4.545 -8.979 1.00 74.54 N ATOM 956 CA GLN A 62 -8.400 3.158 -8.922 1.00 1.41 C ATOM 957 C GLN A 62 -6.958 3.046 -9.465 1.00 24.54 C ATOM 958 O GLN A 62 -6.558 1.998 -9.972 1.00 50.01 O ATOM 959 CB GLN A 62 -9.335 2.227 -9.721 1.00 42.43 C ATOM 960 CG GLN A 62 -10.761 2.134 -9.179 1.00 75.11 C ATOM 961 CD GLN A 62 -10.851 1.380 -7.861 1.00 35.41 C ATOM 962 OE1 GLN A 62 -11.018 0.164 -7.836 1.00 53.44 O ATOM 963 NE2 GLN A 62 -10.766 2.091 -6.760 1.00 42.30 N ATOM 0 H GLN A 62 -9.190 4.921 -8.078 1.00 74.54 H new ATOM 0 HA GLN A 62 -8.390 2.853 -7.876 1.00 1.41 H new ATOM 0 HB2 GLN A 62 -9.375 2.574 -10.753 1.00 42.43 H new ATOM 0 HB3 GLN A 62 -8.902 1.227 -9.738 1.00 42.43 H new ATOM 0 HG2 GLN A 62 -11.158 3.140 -9.043 1.00 75.11 H new ATOM 0 HG3 GLN A 62 -11.392 1.640 -9.917 1.00 75.11 H new ATOM 0 HE21 GLN A 62 -10.627 3.100 -6.814 1.00 42.30 H new ATOM 0 HE22 GLN A 62 -10.839 1.634 -5.851 1.00 42.30 H new ATOM 972 N VAL A 63 -6.173 4.122 -9.330 1.00 24.54 N ATOM 973 CA VAL A 63 -4.803 4.168 -9.871 1.00 53.21 C ATOM 974 C VAL A 63 -3.947 2.984 -9.389 1.00 24.20 C ATOM 975 O VAL A 63 -3.284 2.317 -10.188 1.00 24.22 O ATOM 976 CB VAL A 63 -4.090 5.495 -9.499 1.00 0.15 C ATOM 977 CG1 VAL A 63 -2.667 5.529 -10.060 1.00 33.11 C ATOM 978 CG2 VAL A 63 -4.894 6.695 -9.997 1.00 31.02 C ATOM 0 H VAL A 63 -6.461 4.975 -8.851 1.00 24.54 H new ATOM 0 HA VAL A 63 -4.905 4.104 -10.954 1.00 53.21 H new ATOM 0 HB VAL A 63 -4.025 5.550 -8.412 1.00 0.15 H new ATOM 0 HG11 VAL A 63 -2.190 6.470 -9.785 1.00 33.11 H new ATOM 0 HG12 VAL A 63 -2.094 4.698 -9.649 1.00 33.11 H new ATOM 0 HG13 VAL A 63 -2.702 5.444 -11.146 1.00 33.11 H new ATOM 0 HG21 VAL A 63 -4.378 7.616 -9.727 1.00 31.02 H new ATOM 0 HG22 VAL A 63 -4.995 6.641 -11.081 1.00 31.02 H new ATOM 0 HG23 VAL A 63 -5.883 6.685 -9.539 1.00 31.02 H new ATOM 988 N GLY A 64 -3.967 2.724 -8.083 1.00 74.44 N ATOM 989 CA GLY A 64 -3.232 1.587 -7.533 1.00 54.40 C ATOM 990 C GLY A 64 -3.684 0.245 -8.111 1.00 44.11 C ATOM 991 O GLY A 64 -2.892 -0.695 -8.210 1.00 11.14 O ATOM 0 H GLY A 64 -4.477 3.277 -7.394 1.00 74.44 H new ATOM 0 HA2 GLY A 64 -2.168 1.720 -7.729 1.00 54.40 H new ATOM 0 HA3 GLY A 64 -3.357 1.570 -6.450 1.00 54.40 H new ATOM 995 N VAL A 65 -4.957 0.158 -8.497 1.00 21.24 N ATOM 996 CA VAL A 65 -5.489 -1.041 -9.156 1.00 10.00 C ATOM 997 C VAL A 65 -4.856 -1.224 -10.546 1.00 61.42 C ATOM 998 O VAL A 65 -4.529 -2.342 -10.947 1.00 3.45 O ATOM 999 CB VAL A 65 -7.033 -0.979 -9.287 1.00 22.01 C ATOM 1000 CG1 VAL A 65 -7.577 -2.226 -9.984 1.00 50.41 C ATOM 1001 CG2 VAL A 65 -7.682 -0.793 -7.914 1.00 3.35 C ATOM 0 H VAL A 65 -5.642 0.903 -8.366 1.00 21.24 H new ATOM 0 HA VAL A 65 -5.232 -1.896 -8.531 1.00 10.00 H new ATOM 0 HB VAL A 65 -7.286 -0.117 -9.904 1.00 22.01 H new ATOM 0 HG11 VAL A 65 -8.662 -2.155 -10.062 1.00 50.41 H new ATOM 0 HG12 VAL A 65 -7.146 -2.302 -10.982 1.00 50.41 H new ATOM 0 HG13 VAL A 65 -7.312 -3.111 -9.406 1.00 50.41 H new ATOM 0 HG21 VAL A 65 -8.765 -0.752 -8.026 1.00 3.35 H new ATOM 0 HG22 VAL A 65 -7.416 -1.630 -7.269 1.00 3.35 H new ATOM 0 HG23 VAL A 65 -7.328 0.136 -7.467 1.00 3.35 H new ATOM 1011 N LYS A 66 -4.680 -0.115 -11.273 1.00 64.43 N ATOM 1012 CA LYS A 66 -3.947 -0.133 -12.549 1.00 71.21 C ATOM 1013 C LYS A 66 -2.465 -0.482 -12.324 1.00 2.45 C ATOM 1014 O LYS A 66 -1.848 -1.180 -13.129 1.00 41.41 O ATOM 1015 CB LYS A 66 -4.057 1.223 -13.274 1.00 22.10 C ATOM 1016 CG LYS A 66 -5.361 1.442 -14.050 1.00 74.15 C ATOM 1017 CD LYS A 66 -6.553 1.743 -13.144 1.00 61.31 C ATOM 1018 CE LYS A 66 -7.810 2.049 -13.960 1.00 4.20 C ATOM 1019 NZ LYS A 66 -8.951 2.482 -13.105 1.00 53.43 N ATOM 0 H LYS A 66 -5.032 0.803 -11.003 1.00 64.43 H new ATOM 0 HA LYS A 66 -4.401 -0.901 -13.176 1.00 71.21 H new ATOM 0 HB2 LYS A 66 -3.952 2.020 -12.538 1.00 22.10 H new ATOM 0 HB3 LYS A 66 -3.220 1.316 -13.966 1.00 22.10 H new ATOM 0 HG2 LYS A 66 -5.226 2.267 -14.750 1.00 74.15 H new ATOM 0 HG3 LYS A 66 -5.578 0.553 -14.643 1.00 74.15 H new ATOM 0 HD2 LYS A 66 -6.740 0.891 -12.491 1.00 61.31 H new ATOM 0 HD3 LYS A 66 -6.319 2.592 -12.502 1.00 61.31 H new ATOM 0 HE2 LYS A 66 -7.587 2.830 -14.686 1.00 4.20 H new ATOM 0 HE3 LYS A 66 -8.098 1.162 -14.524 1.00 4.20 H new ATOM 0 HZ1 LYS A 66 -9.733 2.806 -13.708 1.00 53.43 H new ATOM 0 HZ2 LYS A 66 -9.272 1.682 -12.523 1.00 53.43 H new ATOM 0 HZ3 LYS A 66 -8.645 3.260 -12.486 1.00 53.43 H new ATOM 1033 N MET A 67 -1.902 0.017 -11.221 1.00 4.01 N ATOM 1034 CA MET A 67 -0.507 -0.270 -10.854 1.00 41.22 C ATOM 1035 C MET A 67 -0.262 -1.780 -10.699 1.00 54.21 C ATOM 1036 O MET A 67 0.728 -2.312 -11.202 1.00 34.40 O ATOM 1037 CB MET A 67 -0.136 0.463 -9.556 1.00 2.22 C ATOM 1038 CG MET A 67 0.031 1.969 -9.726 1.00 3.14 C ATOM 1039 SD MET A 67 1.421 2.385 -10.797 1.00 14.43 S ATOM 1040 CE MET A 67 1.333 4.177 -10.785 1.00 24.32 C ATOM 0 H MET A 67 -2.390 0.624 -10.562 1.00 4.01 H new ATOM 0 HA MET A 67 0.129 0.090 -11.663 1.00 41.22 H new ATOM 0 HB2 MET A 67 -0.908 0.274 -8.810 1.00 2.22 H new ATOM 0 HB3 MET A 67 0.793 0.046 -9.167 1.00 2.22 H new ATOM 0 HG2 MET A 67 -0.884 2.389 -10.142 1.00 3.14 H new ATOM 0 HG3 MET A 67 0.177 2.429 -8.749 1.00 3.14 H new ATOM 0 HE1 MET A 67 2.131 4.585 -11.405 1.00 24.32 H new ATOM 0 HE2 MET A 67 0.368 4.497 -11.179 1.00 24.32 H new ATOM 0 HE3 MET A 67 1.446 4.540 -9.763 1.00 24.32 H new ATOM 1050 N GLY A 68 -1.162 -2.457 -9.992 1.00 54.03 N ATOM 1051 CA GLY A 68 -1.065 -3.905 -9.827 1.00 52.20 C ATOM 1052 C GLY A 68 0.103 -4.347 -8.946 1.00 13.45 C ATOM 1053 O GLY A 68 0.435 -3.686 -7.961 1.00 34.52 O ATOM 0 H GLY A 68 -1.963 -2.030 -9.526 1.00 54.03 H new ATOM 0 HA2 GLY A 68 -1.995 -4.275 -9.395 1.00 52.20 H new ATOM 0 HA3 GLY A 68 -0.963 -4.367 -10.809 1.00 52.20 H new ATOM 1057 N TRP A 69 0.726 -5.474 -9.298 1.00 5.41 N ATOM 1058 CA TRP A 69 1.829 -6.034 -8.507 1.00 40.43 C ATOM 1059 C TRP A 69 3.105 -5.173 -8.588 1.00 43.44 C ATOM 1060 O TRP A 69 3.808 -5.170 -9.603 1.00 11.41 O ATOM 1061 CB TRP A 69 2.148 -7.465 -8.965 1.00 11.13 C ATOM 1062 CG TRP A 69 0.995 -8.423 -8.832 1.00 61.22 C ATOM 1063 CD1 TRP A 69 0.312 -9.035 -9.845 1.00 14.31 C ATOM 1064 CD2 TRP A 69 0.392 -8.877 -7.612 1.00 12.45 C ATOM 1065 NE1 TRP A 69 -0.668 -9.847 -9.328 1.00 4.23 N ATOM 1066 CE2 TRP A 69 -0.643 -9.766 -7.962 1.00 5.51 C ATOM 1067 CE3 TRP A 69 0.628 -8.621 -6.257 1.00 2.03 C ATOM 1068 CZ2 TRP A 69 -1.436 -10.397 -7.011 1.00 62.05 C ATOM 1069 CZ3 TRP A 69 -0.161 -9.249 -5.314 1.00 72.22 C ATOM 1070 CH2 TRP A 69 -1.183 -10.129 -5.695 1.00 33.42 C ATOM 0 H TRP A 69 0.486 -6.019 -10.126 1.00 5.41 H new ATOM 0 HA TRP A 69 1.497 -6.044 -7.469 1.00 40.43 H new ATOM 0 HB2 TRP A 69 2.467 -7.439 -10.007 1.00 11.13 H new ATOM 0 HB3 TRP A 69 2.989 -7.842 -8.384 1.00 11.13 H new ATOM 0 HD1 TRP A 69 0.513 -8.900 -10.898 1.00 14.31 H new ATOM 0 HE1 TRP A 69 -1.312 -10.419 -9.875 1.00 4.23 H new ATOM 0 HE3 TRP A 69 1.413 -7.944 -5.954 1.00 2.03 H new ATOM 0 HZ2 TRP A 69 -2.225 -11.075 -7.302 1.00 62.05 H new ATOM 0 HZ3 TRP A 69 0.012 -9.059 -4.265 1.00 72.22 H new ATOM 0 HH2 TRP A 69 -1.783 -10.605 -4.933 1.00 33.42 H new ATOM 1081 N LYS A 70 3.391 -4.441 -7.515 1.00 44.13 N ATOM 1082 CA LYS A 70 4.637 -3.669 -7.396 1.00 23.15 C ATOM 1083 C LYS A 70 5.543 -4.274 -6.304 1.00 30.51 C ATOM 1084 O LYS A 70 5.054 -4.676 -5.246 1.00 53.30 O ATOM 1085 CB LYS A 70 4.319 -2.201 -7.072 1.00 51.25 C ATOM 1086 CG LYS A 70 3.531 -1.468 -8.162 1.00 61.33 C ATOM 1087 CD LYS A 70 4.245 -1.509 -9.514 1.00 62.31 C ATOM 1088 CE LYS A 70 3.536 -0.660 -10.566 1.00 2.32 C ATOM 1089 NZ LYS A 70 3.594 0.798 -10.255 1.00 71.15 N ATOM 0 H LYS A 70 2.775 -4.362 -6.706 1.00 44.13 H new ATOM 0 HA LYS A 70 5.167 -3.712 -8.347 1.00 23.15 H new ATOM 0 HB2 LYS A 70 3.752 -2.162 -6.142 1.00 51.25 H new ATOM 0 HB3 LYS A 70 5.254 -1.669 -6.897 1.00 51.25 H new ATOM 0 HG2 LYS A 70 2.543 -1.919 -8.260 1.00 61.33 H new ATOM 0 HG3 LYS A 70 3.380 -0.431 -7.864 1.00 61.33 H new ATOM 0 HD2 LYS A 70 5.269 -1.155 -9.393 1.00 62.31 H new ATOM 0 HD3 LYS A 70 4.303 -2.541 -9.861 1.00 62.31 H new ATOM 0 HE2 LYS A 70 3.991 -0.839 -11.540 1.00 2.32 H new ATOM 0 HE3 LYS A 70 2.494 -0.972 -10.639 1.00 2.32 H new ATOM 0 HZ1 LYS A 70 2.628 1.181 -10.204 1.00 71.15 H new ATOM 0 HZ2 LYS A 70 4.072 0.939 -9.342 1.00 71.15 H new ATOM 0 HZ3 LYS A 70 4.123 1.292 -11.002 1.00 71.15 H new ATOM 1103 N SER A 71 6.859 -4.348 -6.549 1.00 74.44 N ATOM 1104 CA SER A 71 7.763 -5.023 -5.593 1.00 3.34 C ATOM 1105 C SER A 71 9.230 -4.584 -5.692 1.00 55.11 C ATOM 1106 O SER A 71 10.098 -5.199 -5.074 1.00 12.20 O ATOM 1107 CB SER A 71 7.689 -6.542 -5.789 1.00 21.31 C ATOM 1108 OG SER A 71 8.165 -6.933 -7.071 1.00 25.34 O ATOM 0 H SER A 71 7.316 -3.962 -7.375 1.00 74.44 H new ATOM 0 HA SER A 71 7.413 -4.730 -4.603 1.00 3.34 H new ATOM 0 HB2 SER A 71 8.277 -7.037 -5.016 1.00 21.31 H new ATOM 0 HB3 SER A 71 6.658 -6.874 -5.667 1.00 21.31 H new ATOM 0 HG SER A 71 8.104 -7.907 -7.159 1.00 25.34 H new ATOM 1114 N LYS A 72 9.524 -3.533 -6.450 1.00 51.31 N ATOM 1115 CA LYS A 72 10.912 -3.068 -6.593 1.00 11.00 C ATOM 1116 C LYS A 72 11.097 -1.636 -6.073 1.00 31.21 C ATOM 1117 O LYS A 72 10.176 -0.817 -6.116 1.00 72.54 O ATOM 1118 CB LYS A 72 11.366 -3.166 -8.057 1.00 13.32 C ATOM 1119 CG LYS A 72 11.528 -4.600 -8.555 1.00 52.13 C ATOM 1120 CD LYS A 72 12.625 -5.346 -7.794 1.00 42.34 C ATOM 1121 CE LYS A 72 12.754 -6.795 -8.256 1.00 72.03 C ATOM 1122 NZ LYS A 72 13.862 -7.507 -7.562 1.00 34.43 N ATOM 0 H LYS A 72 8.836 -2.989 -6.971 1.00 51.31 H new ATOM 0 HA LYS A 72 11.535 -3.721 -5.982 1.00 11.00 H new ATOM 0 HB2 LYS A 72 10.641 -2.651 -8.688 1.00 13.32 H new ATOM 0 HB3 LYS A 72 12.315 -2.642 -8.170 1.00 13.32 H new ATOM 0 HG2 LYS A 72 10.583 -5.132 -8.444 1.00 52.13 H new ATOM 0 HG3 LYS A 72 11.766 -4.591 -9.619 1.00 52.13 H new ATOM 0 HD2 LYS A 72 13.577 -4.834 -7.935 1.00 42.34 H new ATOM 0 HD3 LYS A 72 12.406 -5.324 -6.726 1.00 42.34 H new ATOM 0 HE2 LYS A 72 11.816 -7.319 -8.072 1.00 72.03 H new ATOM 0 HE3 LYS A 72 12.926 -6.818 -9.332 1.00 72.03 H new ATOM 0 HZ1 LYS A 72 13.914 -8.487 -7.906 1.00 34.43 H new ATOM 0 HZ2 LYS A 72 14.762 -7.023 -7.758 1.00 34.43 H new ATOM 0 HZ3 LYS A 72 13.686 -7.508 -6.537 1.00 34.43 H new ATOM 1136 N ALA A 73 12.300 -1.345 -5.575 1.00 52.44 N ATOM 1137 CA ALA A 73 12.634 -0.007 -5.083 1.00 55.11 C ATOM 1138 C ALA A 73 12.451 1.051 -6.189 1.00 74.55 C ATOM 1139 O ALA A 73 13.235 1.123 -7.140 1.00 73.45 O ATOM 1140 CB ALA A 73 14.061 0.009 -4.539 1.00 61.23 C ATOM 0 H ALA A 73 13.061 -2.020 -5.502 1.00 52.44 H new ATOM 0 HA ALA A 73 11.951 0.245 -4.272 1.00 55.11 H new ATOM 0 HB1 ALA A 73 14.301 1.008 -4.175 1.00 61.23 H new ATOM 0 HB2 ALA A 73 14.146 -0.705 -3.720 1.00 61.23 H new ATOM 0 HB3 ALA A 73 14.756 -0.264 -5.333 1.00 61.23 H new ATOM 1146 N GLY A 74 11.405 1.861 -6.057 1.00 72.05 N ATOM 1147 CA GLY A 74 11.053 2.823 -7.096 1.00 61.14 C ATOM 1148 C GLY A 74 9.582 2.736 -7.500 1.00 41.55 C ATOM 1149 O GLY A 74 9.028 3.683 -8.066 1.00 22.22 O ATOM 0 H GLY A 74 10.789 1.871 -5.244 1.00 72.05 H new ATOM 0 HA2 GLY A 74 11.270 3.831 -6.742 1.00 61.14 H new ATOM 0 HA3 GLY A 74 11.678 2.651 -7.972 1.00 61.14 H new ATOM 1153 N ASP A 75 8.949 1.594 -7.221 1.00 14.43 N ATOM 1154 CA ASP A 75 7.515 1.419 -7.475 1.00 0.53 C ATOM 1155 C ASP A 75 6.667 2.177 -6.438 1.00 73.43 C ATOM 1156 O ASP A 75 7.085 2.369 -5.293 1.00 12.14 O ATOM 1157 CB ASP A 75 7.141 -0.067 -7.469 1.00 13.31 C ATOM 1158 CG ASP A 75 7.615 -0.813 -8.705 1.00 23.24 C ATOM 1159 OD1 ASP A 75 7.415 -0.299 -9.827 1.00 3.30 O ATOM 1160 OD2 ASP A 75 8.165 -1.930 -8.566 1.00 45.34 O ATOM 0 H ASP A 75 9.406 0.776 -6.819 1.00 14.43 H new ATOM 0 HA ASP A 75 7.303 1.834 -8.461 1.00 0.53 H new ATOM 0 HB2 ASP A 75 7.568 -0.538 -6.583 1.00 13.31 H new ATOM 0 HB3 ASP A 75 6.058 -0.161 -7.390 1.00 13.31 H new ATOM 1165 N THR A 76 5.469 2.597 -6.848 1.00 3.20 N ATOM 1166 CA THR A 76 4.581 3.401 -5.995 1.00 33.54 C ATOM 1167 C THR A 76 3.101 3.007 -6.154 1.00 72.35 C ATOM 1168 O THR A 76 2.698 2.420 -7.162 1.00 12.54 O ATOM 1169 CB THR A 76 4.702 4.916 -6.309 1.00 74.21 C ATOM 1170 OG1 THR A 76 4.412 5.153 -7.697 1.00 23.45 O ATOM 1171 CG2 THR A 76 6.093 5.452 -5.973 1.00 50.10 C ATOM 0 H THR A 76 5.086 2.394 -7.771 1.00 3.20 H new ATOM 0 HA THR A 76 4.903 3.201 -4.973 1.00 33.54 H new ATOM 0 HB THR A 76 3.979 5.444 -5.687 1.00 74.21 H new ATOM 0 HG1 THR A 76 4.488 6.111 -7.888 1.00 23.45 H new ATOM 0 HG21 THR A 76 6.139 6.516 -6.206 1.00 50.10 H new ATOM 0 HG22 THR A 76 6.293 5.304 -4.912 1.00 50.10 H new ATOM 0 HG23 THR A 76 6.840 4.919 -6.561 1.00 50.10 H new ATOM 1179 N ILE A 77 2.306 3.338 -5.135 1.00 15.13 N ATOM 1180 CA ILE A 77 0.845 3.167 -5.156 1.00 1.21 C ATOM 1181 C ILE A 77 0.170 4.464 -4.670 1.00 22.44 C ATOM 1182 O ILE A 77 0.350 4.866 -3.522 1.00 11.44 O ATOM 1183 CB ILE A 77 0.394 1.992 -4.241 1.00 24.24 C ATOM 1184 CG1 ILE A 77 1.036 0.661 -4.678 1.00 62.44 C ATOM 1185 CG2 ILE A 77 -1.129 1.873 -4.228 1.00 52.10 C ATOM 1186 CD1 ILE A 77 0.596 0.178 -6.045 1.00 51.04 C ATOM 0 H ILE A 77 2.657 3.736 -4.264 1.00 15.13 H new ATOM 0 HA ILE A 77 0.549 2.941 -6.180 1.00 1.21 H new ATOM 0 HB ILE A 77 0.735 2.211 -3.229 1.00 24.24 H new ATOM 0 HG12 ILE A 77 2.120 0.776 -4.677 1.00 62.44 H new ATOM 0 HG13 ILE A 77 0.796 -0.105 -3.940 1.00 62.44 H new ATOM 0 HG21 ILE A 77 -1.424 1.046 -3.583 1.00 52.10 H new ATOM 0 HG22 ILE A 77 -1.563 2.799 -3.852 1.00 52.10 H new ATOM 0 HG23 ILE A 77 -1.488 1.689 -5.241 1.00 52.10 H new ATOM 0 HD11 ILE A 77 1.094 -0.764 -6.276 1.00 51.04 H new ATOM 0 HD12 ILE A 77 -0.484 0.028 -6.048 1.00 51.04 H new ATOM 0 HD13 ILE A 77 0.861 0.922 -6.796 1.00 51.04 H new ATOM 1198 N VAL A 78 -0.598 5.128 -5.539 1.00 23.34 N ATOM 1199 CA VAL A 78 -1.161 6.449 -5.206 1.00 2.14 C ATOM 1200 C VAL A 78 -2.695 6.505 -5.354 1.00 30.31 C ATOM 1201 O VAL A 78 -3.232 6.336 -6.451 1.00 65.43 O ATOM 1202 CB VAL A 78 -0.538 7.553 -6.100 1.00 0.45 C ATOM 1203 CG1 VAL A 78 -1.040 8.935 -5.684 1.00 61.13 C ATOM 1204 CG2 VAL A 78 0.989 7.491 -6.058 1.00 2.15 C ATOM 0 H VAL A 78 -0.844 4.783 -6.467 1.00 23.34 H new ATOM 0 HA VAL A 78 -0.915 6.622 -4.158 1.00 2.14 H new ATOM 0 HB VAL A 78 -0.853 7.374 -7.128 1.00 0.45 H new ATOM 0 HG11 VAL A 78 -0.590 9.694 -6.324 1.00 61.13 H new ATOM 0 HG12 VAL A 78 -2.125 8.973 -5.783 1.00 61.13 H new ATOM 0 HG13 VAL A 78 -0.764 9.125 -4.647 1.00 61.13 H new ATOM 0 HG21 VAL A 78 1.403 8.275 -6.693 1.00 2.15 H new ATOM 0 HG22 VAL A 78 1.331 7.636 -5.033 1.00 2.15 H new ATOM 0 HG23 VAL A 78 1.324 6.518 -6.418 1.00 2.15 H new ATOM 1214 N CYS A 79 -3.389 6.748 -4.240 1.00 25.31 N ATOM 1215 CA CYS A 79 -4.836 7.033 -4.253 1.00 35.33 C ATOM 1216 C CYS A 79 -5.135 8.387 -3.592 1.00 23.21 C ATOM 1217 O CYS A 79 -5.384 8.460 -2.384 1.00 64.24 O ATOM 1218 CB CYS A 79 -5.631 5.919 -3.555 1.00 1.22 C ATOM 1219 SG CYS A 79 -5.712 4.373 -4.491 1.00 50.21 S ATOM 0 H CYS A 79 -2.974 6.754 -3.308 1.00 25.31 H new ATOM 0 HA CYS A 79 -5.150 7.076 -5.296 1.00 35.33 H new ATOM 0 HB2 CYS A 79 -5.180 5.720 -2.583 1.00 1.22 H new ATOM 0 HB3 CYS A 79 -6.645 6.273 -3.369 1.00 1.22 H new ATOM 0 HG CYS A 79 -6.902 3.861 -4.381 1.00 50.21 H new ATOM 1225 N LEU A 80 -5.118 9.459 -4.387 1.00 55.23 N ATOM 1226 CA LEU A 80 -5.319 10.824 -3.868 1.00 24.03 C ATOM 1227 C LEU A 80 -6.720 11.052 -3.253 1.00 63.42 C ATOM 1228 O LEU A 80 -6.827 11.738 -2.239 1.00 30.31 O ATOM 1229 CB LEU A 80 -5.036 11.865 -4.964 1.00 42.33 C ATOM 1230 CG LEU A 80 -3.575 11.920 -5.452 1.00 21.23 C ATOM 1231 CD1 LEU A 80 -3.394 13.018 -6.498 1.00 55.23 C ATOM 1232 CD2 LEU A 80 -2.619 12.127 -4.276 1.00 4.24 C ATOM 0 H LEU A 80 -4.967 9.413 -5.395 1.00 55.23 H new ATOM 0 HA LEU A 80 -4.605 10.948 -3.054 1.00 24.03 H new ATOM 0 HB2 LEU A 80 -5.680 11.655 -5.818 1.00 42.33 H new ATOM 0 HB3 LEU A 80 -5.315 12.850 -4.589 1.00 42.33 H new ATOM 0 HG LEU A 80 -3.336 10.965 -5.919 1.00 21.23 H new ATOM 0 HD11 LEU A 80 -2.355 13.038 -6.828 1.00 55.23 H new ATOM 0 HD12 LEU A 80 -4.042 12.818 -7.351 1.00 55.23 H new ATOM 0 HD13 LEU A 80 -3.655 13.982 -6.062 1.00 55.23 H new ATOM 0 HD21 LEU A 80 -1.593 12.163 -4.643 1.00 4.24 H new ATOM 0 HD22 LEU A 80 -2.858 13.064 -3.774 1.00 4.24 H new ATOM 0 HD23 LEU A 80 -2.724 11.301 -3.572 1.00 4.24 H new ATOM 1244 N PRO A 81 -7.816 10.501 -3.834 1.00 23.53 N ATOM 1245 CA PRO A 81 -9.159 10.601 -3.221 1.00 52.20 C ATOM 1246 C PRO A 81 -9.199 10.074 -1.773 1.00 60.25 C ATOM 1247 O PRO A 81 -10.099 10.405 -1.002 1.00 72.10 O ATOM 1248 CB PRO A 81 -10.036 9.731 -4.134 1.00 33.32 C ATOM 1249 CG PRO A 81 -9.329 9.723 -5.444 1.00 12.11 C ATOM 1250 CD PRO A 81 -7.860 9.793 -5.130 1.00 64.44 C ATOM 0 HA PRO A 81 -9.489 11.637 -3.147 1.00 52.20 H new ATOM 0 HB2 PRO A 81 -10.143 8.722 -3.736 1.00 33.32 H new ATOM 0 HB3 PRO A 81 -11.040 10.144 -4.229 1.00 33.32 H new ATOM 0 HG2 PRO A 81 -9.564 8.820 -6.007 1.00 12.11 H new ATOM 0 HG3 PRO A 81 -9.637 10.570 -6.057 1.00 12.11 H new ATOM 0 HD2 PRO A 81 -7.417 8.800 -5.060 1.00 64.44 H new ATOM 0 HD3 PRO A 81 -7.310 10.333 -5.901 1.00 64.44 H new ATOM 1258 N HIS A 82 -8.224 9.234 -1.420 1.00 70.30 N ATOM 1259 CA HIS A 82 -8.102 8.702 -0.054 1.00 5.22 C ATOM 1260 C HIS A 82 -6.841 9.253 0.636 1.00 51.44 C ATOM 1261 O HIS A 82 -6.552 8.919 1.787 1.00 44.21 O ATOM 1262 CB HIS A 82 -8.056 7.169 -0.088 1.00 62.00 C ATOM 1263 CG HIS A 82 -9.254 6.532 -0.734 1.00 74.14 C ATOM 1264 ND1 HIS A 82 -9.357 5.180 -0.959 1.00 23.14 N ATOM 1265 CD2 HIS A 82 -10.407 7.070 -1.201 1.00 3.35 C ATOM 1266 CE1 HIS A 82 -10.505 4.915 -1.538 1.00 54.12 C ATOM 1267 NE2 HIS A 82 -11.167 6.041 -1.694 1.00 12.21 N ATOM 0 H HIS A 82 -7.503 8.904 -2.062 1.00 70.30 H new ATOM 0 HA HIS A 82 -8.974 9.020 0.518 1.00 5.22 H new ATOM 0 HB2 HIS A 82 -7.159 6.855 -0.622 1.00 62.00 H new ATOM 0 HB3 HIS A 82 -7.966 6.796 0.932 1.00 62.00 H new ATOM 0 HD1 HIS A 82 -8.649 4.488 -0.713 1.00 23.14 H new ATOM 0 HD2 HIS A 82 -10.677 8.116 -1.187 1.00 3.35 H new ATOM 0 HE1 HIS A 82 -10.849 3.936 -1.837 1.00 54.12 H new ATOM 1276 N LYS A 83 -6.105 10.100 -0.091 1.00 43.24 N ATOM 1277 CA LYS A 83 -4.848 10.702 0.384 1.00 12.11 C ATOM 1278 C LYS A 83 -3.826 9.646 0.837 1.00 42.13 C ATOM 1279 O LYS A 83 -3.041 9.881 1.757 1.00 24.44 O ATOM 1280 CB LYS A 83 -5.127 11.718 1.503 1.00 72.21 C ATOM 1281 CG LYS A 83 -5.963 12.908 1.034 1.00 53.25 C ATOM 1282 CD LYS A 83 -6.000 14.037 2.063 1.00 43.53 C ATOM 1283 CE LYS A 83 -6.732 15.261 1.518 1.00 31.52 C ATOM 1284 NZ LYS A 83 -6.673 16.417 2.453 1.00 21.44 N ATOM 0 H LYS A 83 -6.364 10.391 -1.034 1.00 43.24 H new ATOM 0 HA LYS A 83 -4.401 11.226 -0.461 1.00 12.11 H new ATOM 0 HB2 LYS A 83 -5.645 11.217 2.320 1.00 72.21 H new ATOM 0 HB3 LYS A 83 -4.179 12.081 1.901 1.00 72.21 H new ATOM 0 HG2 LYS A 83 -5.556 13.288 0.097 1.00 53.25 H new ATOM 0 HG3 LYS A 83 -6.980 12.575 0.828 1.00 53.25 H new ATOM 0 HD2 LYS A 83 -6.494 13.689 2.970 1.00 43.53 H new ATOM 0 HD3 LYS A 83 -4.983 14.313 2.340 1.00 43.53 H new ATOM 0 HE2 LYS A 83 -6.294 15.547 0.562 1.00 31.52 H new ATOM 0 HE3 LYS A 83 -7.774 15.004 1.327 1.00 31.52 H new ATOM 0 HZ1 LYS A 83 -7.183 17.224 2.040 1.00 21.44 H new ATOM 0 HZ2 LYS A 83 -7.114 16.155 3.358 1.00 21.44 H new ATOM 0 HZ3 LYS A 83 -5.680 16.682 2.616 1.00 21.44 H new ATOM 1298 N VAL A 84 -3.820 8.498 0.159 1.00 50.41 N ATOM 1299 CA VAL A 84 -2.867 7.421 0.453 1.00 51.30 C ATOM 1300 C VAL A 84 -1.728 7.384 -0.582 1.00 51.21 C ATOM 1301 O VAL A 84 -1.961 7.163 -1.774 1.00 54.00 O ATOM 1302 CB VAL A 84 -3.571 6.040 0.481 1.00 71.34 C ATOM 1303 CG1 VAL A 84 -2.580 4.925 0.821 1.00 70.41 C ATOM 1304 CG2 VAL A 84 -4.741 6.050 1.463 1.00 13.44 C ATOM 0 H VAL A 84 -4.466 8.287 -0.601 1.00 50.41 H new ATOM 0 HA VAL A 84 -2.448 7.630 1.437 1.00 51.30 H new ATOM 0 HB VAL A 84 -3.966 5.842 -0.515 1.00 71.34 H new ATOM 0 HG11 VAL A 84 -3.100 3.967 0.834 1.00 70.41 H new ATOM 0 HG12 VAL A 84 -1.790 4.899 0.070 1.00 70.41 H new ATOM 0 HG13 VAL A 84 -2.143 5.113 1.801 1.00 70.41 H new ATOM 0 HG21 VAL A 84 -5.221 5.071 1.467 1.00 13.44 H new ATOM 0 HG22 VAL A 84 -4.374 6.278 2.464 1.00 13.44 H new ATOM 0 HG23 VAL A 84 -5.464 6.807 1.160 1.00 13.44 H new ATOM 1314 N PHE A 85 -0.499 7.605 -0.119 1.00 14.32 N ATOM 1315 CA PHE A 85 0.687 7.556 -0.983 1.00 1.03 C ATOM 1316 C PHE A 85 1.668 6.476 -0.493 1.00 33.24 C ATOM 1317 O PHE A 85 2.107 6.500 0.658 1.00 52.45 O ATOM 1318 CB PHE A 85 1.381 8.927 -1.004 1.00 32.45 C ATOM 1319 CG PHE A 85 2.529 9.020 -1.984 1.00 33.33 C ATOM 1320 CD1 PHE A 85 3.819 8.660 -1.609 1.00 11.21 C ATOM 1321 CD2 PHE A 85 2.317 9.468 -3.281 1.00 1.21 C ATOM 1322 CE1 PHE A 85 4.867 8.744 -2.506 1.00 50.51 C ATOM 1323 CE2 PHE A 85 3.363 9.555 -4.180 1.00 73.31 C ATOM 1324 CZ PHE A 85 4.638 9.192 -3.793 1.00 45.42 C ATOM 0 H PHE A 85 -0.294 7.822 0.856 1.00 14.32 H new ATOM 0 HA PHE A 85 0.369 7.303 -1.994 1.00 1.03 H new ATOM 0 HB2 PHE A 85 0.644 9.692 -1.249 1.00 32.45 H new ATOM 0 HB3 PHE A 85 1.752 9.151 -0.004 1.00 32.45 H new ATOM 0 HD1 PHE A 85 4.004 8.310 -0.604 1.00 11.21 H new ATOM 0 HD2 PHE A 85 1.322 9.752 -3.591 1.00 1.21 H new ATOM 0 HE1 PHE A 85 5.863 8.460 -2.202 1.00 50.51 H new ATOM 0 HE2 PHE A 85 3.183 9.907 -5.185 1.00 73.31 H new ATOM 0 HZ PHE A 85 5.455 9.258 -4.496 1.00 45.42 H new ATOM 1334 N VAL A 86 2.006 5.531 -1.367 1.00 21.24 N ATOM 1335 CA VAL A 86 2.934 4.443 -1.019 1.00 4.12 C ATOM 1336 C VAL A 86 4.136 4.403 -1.977 1.00 42.21 C ATOM 1337 O VAL A 86 3.969 4.473 -3.193 1.00 4.11 O ATOM 1338 CB VAL A 86 2.216 3.066 -1.055 1.00 42.22 C ATOM 1339 CG1 VAL A 86 3.155 1.937 -0.627 1.00 62.53 C ATOM 1340 CG2 VAL A 86 0.956 3.084 -0.186 1.00 24.34 C ATOM 0 H VAL A 86 1.654 5.491 -2.324 1.00 21.24 H new ATOM 0 HA VAL A 86 3.290 4.641 -0.008 1.00 4.12 H new ATOM 0 HB VAL A 86 1.917 2.876 -2.086 1.00 42.22 H new ATOM 0 HG11 VAL A 86 2.622 0.987 -0.663 1.00 62.53 H new ATOM 0 HG12 VAL A 86 4.010 1.899 -1.302 1.00 62.53 H new ATOM 0 HG13 VAL A 86 3.503 2.119 0.390 1.00 62.53 H new ATOM 0 HG21 VAL A 86 0.471 2.109 -0.228 1.00 24.34 H new ATOM 0 HG22 VAL A 86 1.228 3.310 0.845 1.00 24.34 H new ATOM 0 HG23 VAL A 86 0.270 3.846 -0.556 1.00 24.34 H new ATOM 1350 N GLU A 87 5.342 4.299 -1.423 1.00 71.43 N ATOM 1351 CA GLU A 87 6.560 4.128 -2.230 1.00 63.42 C ATOM 1352 C GLU A 87 7.430 2.991 -1.676 1.00 73.45 C ATOM 1353 O GLU A 87 7.514 2.795 -0.466 1.00 51.50 O ATOM 1354 CB GLU A 87 7.383 5.426 -2.282 1.00 61.41 C ATOM 1355 CG GLU A 87 7.793 5.958 -0.911 1.00 61.14 C ATOM 1356 CD GLU A 87 9.048 6.819 -0.960 1.00 31.45 C ATOM 1357 OE1 GLU A 87 9.008 7.921 -1.543 1.00 61.34 O ATOM 1358 OE2 GLU A 87 10.094 6.392 -0.420 1.00 13.33 O ATOM 0 H GLU A 87 5.508 4.330 -0.417 1.00 71.43 H new ATOM 0 HA GLU A 87 6.244 3.874 -3.242 1.00 63.42 H new ATOM 0 HB2 GLU A 87 8.280 5.251 -2.876 1.00 61.41 H new ATOM 0 HB3 GLU A 87 6.803 6.191 -2.798 1.00 61.41 H new ATOM 0 HG2 GLU A 87 6.973 6.543 -0.494 1.00 61.14 H new ATOM 0 HG3 GLU A 87 7.961 5.118 -0.236 1.00 61.14 H new ATOM 1365 N ILE A 88 8.071 2.241 -2.564 1.00 23.24 N ATOM 1366 CA ILE A 88 8.910 1.109 -2.153 1.00 33.43 C ATOM 1367 C ILE A 88 10.403 1.477 -2.174 1.00 35.11 C ATOM 1368 O ILE A 88 10.940 1.859 -3.214 1.00 62.44 O ATOM 1369 CB ILE A 88 8.670 -0.116 -3.073 1.00 22.22 C ATOM 1370 CG1 ILE A 88 7.172 -0.463 -3.115 1.00 21.42 C ATOM 1371 CG2 ILE A 88 9.489 -1.316 -2.595 1.00 2.04 C ATOM 1372 CD1 ILE A 88 6.828 -1.606 -4.048 1.00 40.04 C ATOM 0 H ILE A 88 8.030 2.391 -3.572 1.00 23.24 H new ATOM 0 HA ILE A 88 8.628 0.855 -1.131 1.00 33.43 H new ATOM 0 HB ILE A 88 8.996 0.137 -4.082 1.00 22.22 H new ATOM 0 HG12 ILE A 88 6.841 -0.718 -2.108 1.00 21.42 H new ATOM 0 HG13 ILE A 88 6.613 0.422 -3.420 1.00 21.42 H new ATOM 0 HG21 ILE A 88 9.307 -2.166 -3.253 1.00 2.04 H new ATOM 0 HG22 ILE A 88 10.549 -1.063 -2.613 1.00 2.04 H new ATOM 0 HG23 ILE A 88 9.195 -1.575 -1.578 1.00 2.04 H new ATOM 0 HD11 ILE A 88 5.754 -1.788 -4.020 1.00 40.04 H new ATOM 0 HD12 ILE A 88 7.126 -1.348 -5.064 1.00 40.04 H new ATOM 0 HD13 ILE A 88 7.357 -2.505 -3.732 1.00 40.04 H new ATOM 1384 N LYS A 89 11.069 1.354 -1.022 1.00 34.30 N ATOM 1385 CA LYS A 89 12.510 1.635 -0.920 1.00 23.00 C ATOM 1386 C LYS A 89 13.274 0.426 -0.355 1.00 53.44 C ATOM 1387 O LYS A 89 12.722 -0.371 0.399 1.00 34.20 O ATOM 1388 CB LYS A 89 12.766 2.878 -0.049 1.00 33.31 C ATOM 1389 CG LYS A 89 12.334 2.738 1.413 1.00 41.31 C ATOM 1390 CD LYS A 89 12.655 4.004 2.209 1.00 30.44 C ATOM 1391 CE LYS A 89 12.247 3.898 3.673 1.00 0.24 C ATOM 1392 NZ LYS A 89 12.986 2.829 4.399 1.00 71.14 N ATOM 0 H LYS A 89 10.636 1.062 -0.146 1.00 34.30 H new ATOM 0 HA LYS A 89 12.878 1.833 -1.927 1.00 23.00 H new ATOM 0 HB2 LYS A 89 13.830 3.111 -0.078 1.00 33.31 H new ATOM 0 HB3 LYS A 89 12.242 3.726 -0.488 1.00 33.31 H new ATOM 0 HG2 LYS A 89 11.264 2.537 1.461 1.00 41.31 H new ATOM 0 HG3 LYS A 89 12.839 1.884 1.864 1.00 41.31 H new ATOM 0 HD2 LYS A 89 13.725 4.205 2.148 1.00 30.44 H new ATOM 0 HD3 LYS A 89 12.145 4.853 1.754 1.00 30.44 H new ATOM 0 HE2 LYS A 89 12.423 4.854 4.165 1.00 0.24 H new ATOM 0 HE3 LYS A 89 11.177 3.700 3.734 1.00 0.24 H new ATOM 0 HZ1 LYS A 89 12.759 2.877 5.413 1.00 71.14 H new ATOM 0 HZ2 LYS A 89 12.707 1.899 4.026 1.00 71.14 H new ATOM 0 HZ3 LYS A 89 14.009 2.963 4.267 1.00 71.14 H new ATOM 1406 N SER A 90 14.546 0.294 -0.722 1.00 43.35 N ATOM 1407 CA SER A 90 15.364 -0.851 -0.286 1.00 62.14 C ATOM 1408 C SER A 90 16.090 -0.573 1.039 1.00 35.13 C ATOM 1409 O SER A 90 16.389 0.572 1.378 1.00 31.53 O ATOM 1410 CB SER A 90 16.383 -1.240 -1.366 1.00 71.51 C ATOM 1411 OG SER A 90 17.161 -2.357 -0.959 1.00 21.03 O ATOM 0 H SER A 90 15.038 0.960 -1.318 1.00 43.35 H new ATOM 0 HA SER A 90 14.678 -1.683 -0.124 1.00 62.14 H new ATOM 0 HB2 SER A 90 15.862 -1.475 -2.294 1.00 71.51 H new ATOM 0 HB3 SER A 90 17.038 -0.394 -1.574 1.00 71.51 H new ATOM 0 HG SER A 90 16.625 -2.934 -0.376 1.00 21.03 H new ATOM 1417 N THR A 91 16.339 -1.633 1.800 1.00 72.31 N ATOM 1418 CA THR A 91 17.053 -1.528 3.077 1.00 73.22 C ATOM 1419 C THR A 91 18.549 -1.264 2.866 1.00 43.11 C ATOM 1420 O THR A 91 19.192 -0.575 3.666 1.00 42.44 O ATOM 1421 CB THR A 91 16.895 -2.816 3.920 1.00 50.40 C ATOM 1422 OG1 THR A 91 17.552 -3.916 3.270 1.00 11.54 O ATOM 1423 CG2 THR A 91 15.424 -3.158 4.127 1.00 41.21 C ATOM 0 H THR A 91 16.057 -2.582 1.557 1.00 72.31 H new ATOM 0 HA THR A 91 16.609 -0.687 3.610 1.00 73.22 H new ATOM 0 HB THR A 91 17.353 -2.638 4.893 1.00 50.40 H new ATOM 0 HG1 THR A 91 17.448 -4.726 3.812 1.00 11.54 H new ATOM 0 HG21 THR A 91 15.342 -4.067 4.722 1.00 41.21 H new ATOM 0 HG22 THR A 91 14.929 -2.338 4.647 1.00 41.21 H new ATOM 0 HG23 THR A 91 14.947 -3.314 3.159 1.00 41.21 H new ATOM 1431 N GLN A 92 19.097 -1.803 1.777 1.00 53.52 N ATOM 1432 CA GLN A 92 20.529 -1.680 1.489 1.00 44.32 C ATOM 1433 C GLN A 92 20.897 -0.299 0.911 1.00 11.42 C ATOM 1434 O GLN A 92 20.966 -0.103 -0.307 1.00 24.42 O ATOM 1435 CB GLN A 92 20.993 -2.815 0.561 1.00 41.43 C ATOM 1436 CG GLN A 92 20.161 -2.973 -0.710 1.00 24.33 C ATOM 1437 CD GLN A 92 20.582 -4.165 -1.553 1.00 53.42 C ATOM 1438 OE1 GLN A 92 20.089 -5.272 -1.379 1.00 44.44 O ATOM 1439 NE2 GLN A 92 21.504 -3.952 -2.470 1.00 54.12 N ATOM 0 H GLN A 92 18.572 -2.329 1.079 1.00 53.52 H new ATOM 0 HA GLN A 92 21.058 -1.770 2.438 1.00 44.32 H new ATOM 0 HB2 GLN A 92 22.031 -2.637 0.281 1.00 41.43 H new ATOM 0 HB3 GLN A 92 20.969 -3.753 1.115 1.00 41.43 H new ATOM 0 HG2 GLN A 92 19.111 -3.080 -0.439 1.00 24.33 H new ATOM 0 HG3 GLN A 92 20.245 -2.065 -1.307 1.00 24.33 H new ATOM 0 HE21 GLN A 92 21.896 -3.018 -2.592 1.00 54.12 H new ATOM 0 HE22 GLN A 92 21.825 -4.721 -3.058 1.00 54.12 H new