USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 891 hydrogens (11 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 NoAdj-H: A 101 PTR HN2 : A 101 PTR N : A 100 ACE C :(H bumps) USER MOD NoAdj-H: A 101 PTR H : A 101 PTR N : A 100 ACE C :(H bumps) USER MOD Set 1.1: B 242 THR OG1 : rot 160:sc= -1.61! USER MOD Set 1.2: B 243 THR OG1 : rot 180:sc= -0.136 USER MOD Set 2.1: B 187 SER OG : rot 120:sc= -2.59! USER MOD Set 2.2: B 201 HIS : no HD1:sc= -3.27! C(o=-5.9!,f=-11!) USER MOD Set 3.1: B 177 SER OG : rot -3:sc= -0.785! USER MOD Set 3.2: B 179 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: B 180 THR OG1 : rot 180:sc= -1.57! USER MOD Set 3.4: B 185 CYS SG : rot -12:sc= 1.23 USER MOD Single : B 140 MET CE :methyl 172:sc= 0 (180deg=-0.0377) USER MOD Single : B 142 SER OG : rot 180:sc= 0 USER MOD Single : B 144 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.94) USER MOD Single : B 149 TYR OH : rot 180:sc= 0 USER MOD Single : B 152 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0271) USER MOD Single : B 154 THR OG1 : rot 132:sc= 0.0892 USER MOD Single : B 158 SER OG : rot 48:sc= -1.38! USER MOD Single : B 164 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.6!) USER MOD Single : B 167 ASN : amide:sc= -0.499 K(o=-0.5,f=-4!) USER MOD Single : B 171 THR OG1 : rot 70:sc= -1.12 USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 184 TYR OH : rot 180:sc= 0 USER MOD Single : B 189 SER OG : rot -73:sc= -2.02 USER MOD Single : B 193 ASN : amide:sc= -0.167 K(o=-0.17,f=-2.7!) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 198 ASN :FLIP amide:sc= -0.498 F(o=-1.8!,f=-0.5) USER MOD Single : B 200 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.00297) USER MOD Single : B 202 TYR OH : rot 180:sc= 0 USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 209 SER OG : rot 180:sc= 0.0911 USER MOD Single : B 213 TYR OH : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : B 216 SER OG : rot 180:sc= 0 USER MOD Single : B 218 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : B 219 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : B 221 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.3!) USER MOD Single : B 222 SER OG : rot 180:sc= 0.00509 USER MOD Single : B 224 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.61) USER MOD Single : B 225 GLN : amide:sc= -0.737 K(o=-0.74,f=-2!) USER MOD Single : B 229 TYR OH : rot 180:sc= 0 USER MOD Single : B 230 TYR OH : rot 180:sc= 0 USER MOD Single : B 231 SER OG : rot 58:sc= 0.618 USER MOD Single : B 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-18!) USER MOD Single : B 238 CYS SG : rot -130:sc= -0.624 USER MOD Single : B 239 HIS : no HE2:sc= -0.598 K(o=-0.6,f=-2.8) USER MOD Single : B 245 CYS SG : rot -68:sc= -6.4! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 100 2.035 1.112 11.514 1.00 14.10 C HETATM 2 O ACE A 100 2.812 1.226 10.587 1.00 14.64 O HETATM 3 CH3 ACE A 100 2.491 0.566 12.869 1.00 14.17 C HETATM 0 H1 ACE A 100 2.319 1.317 13.640 1.00 14.17 H new HETATM 0 H2 ACE A 100 1.926 -0.335 13.107 1.00 14.17 H new HETATM 0 H3 ACE A 100 3.554 0.327 12.826 1.00 14.17 H new HETATM 7 N PTR A 101 0.781 1.453 11.393 1.00 14.28 N HETATM 8 CA PTR A 101 0.279 1.991 10.098 1.00 13.54 C HETATM 9 C PTR A 101 0.067 3.502 10.222 1.00 14.12 C HETATM 10 O PTR A 101 -0.064 4.033 11.306 1.00 13.97 O HETATM 11 CB PTR A 101 -1.050 1.318 9.746 1.00 13.83 C HETATM 12 CG PTR A 101 -0.821 -0.156 9.509 1.00 12.91 C HETATM 13 CD1 PTR A 101 -0.465 -0.614 8.230 1.00 12.17 C HETATM 14 CD2 PTR A 101 -0.963 -1.068 10.568 1.00 12.70 C HETATM 15 CE1 PTR A 101 -0.251 -1.985 8.009 1.00 12.08 C HETATM 16 CE2 PTR A 101 -0.749 -2.439 10.348 1.00 11.44 C HETATM 17 CZ PTR A 101 -0.393 -2.898 9.068 1.00 13.78 C HETATM 18 OH PTR A 101 -0.173 -4.293 8.844 1.00 14.51 O HETATM 19 P PTR A 101 1.270 -4.945 9.135 1.00 17.94 P HETATM 20 O1P PTR A 101 1.048 -6.385 8.872 1.00 18.17 O HETATM 21 O2P PTR A 101 1.515 -4.599 10.553 1.00 15.88 O HETATM 22 O3P PTR A 101 2.151 -4.260 8.163 1.00 18.41 O HETATM 0 HE2 PTR A 101 -0.859 -3.147 11.170 1.00 11.44 H new HETATM 0 HE1 PTR A 101 0.025 -2.340 7.016 1.00 12.08 H new HETATM 0 HD2 PTR A 101 -1.239 -0.712 11.560 1.00 12.70 H new HETATM 0 HD1 PTR A 101 -0.355 0.094 7.409 1.00 12.17 H new HETATM 0 HB3 PTR A 101 -1.767 1.460 10.554 1.00 13.83 H new HETATM 0 HB2 PTR A 101 -1.478 1.778 8.856 1.00 13.83 H new HETATM 0 HA PTR A 101 1.008 1.788 9.314 1.00 13.54 H new ATOM 31 N GLU A 102 0.032 4.198 9.119 1.00 15.01 N ATOM 32 CA GLU A 102 -0.170 5.672 9.173 1.00 18.67 C ATOM 33 C GLU A 102 -1.626 6.001 8.836 1.00 23.30 C ATOM 34 O GLU A 102 -2.448 5.122 8.668 1.00 23.42 O ATOM 35 CB GLU A 102 0.753 6.353 8.160 1.00 18.41 C ATOM 36 CG GLU A 102 2.207 5.996 8.474 1.00 20.30 C ATOM 37 CD GLU A 102 2.505 6.308 9.942 1.00 19.75 C ATOM 38 OE1 GLU A 102 2.601 7.478 10.270 1.00 19.69 O ATOM 39 OE2 GLU A 102 2.631 5.369 10.712 1.00 21.81 O ATOM 0 H GLU A 102 0.135 3.808 8.182 1.00 15.01 H new ATOM 0 HA GLU A 102 0.062 6.032 10.175 1.00 18.67 H new ATOM 0 HB2 GLU A 102 0.499 6.034 7.149 1.00 18.41 H new ATOM 0 HB3 GLU A 102 0.617 7.434 8.197 1.00 18.41 H new ATOM 0 HG2 GLU A 102 2.385 4.940 8.273 1.00 20.30 H new ATOM 0 HG3 GLU A 102 2.879 6.561 7.828 1.00 20.30 H new ATOM 46 N GLU A 103 -1.952 7.262 8.736 1.00 29.30 N ATOM 47 CA GLU A 103 -3.354 7.645 8.409 1.00 35.63 C ATOM 48 C GLU A 103 -3.347 8.742 7.342 1.00 37.94 C ATOM 49 O GLU A 103 -2.430 9.537 7.261 1.00 40.44 O ATOM 50 CB GLU A 103 -4.048 8.167 9.670 1.00 38.84 C ATOM 51 CG GLU A 103 -4.464 6.987 10.550 1.00 44.99 C ATOM 52 CD GLU A 103 -5.447 7.469 11.618 1.00 50.48 C ATOM 53 OE1 GLU A 103 -5.143 8.450 12.276 1.00 53.57 O ATOM 54 OE2 GLU A 103 -6.487 6.848 11.761 1.00 53.04 O ATOM 0 H GLU A 103 -1.308 8.042 8.867 1.00 29.30 H new ATOM 0 HA GLU A 103 -3.890 6.774 8.033 1.00 35.63 H new ATOM 0 HB2 GLU A 103 -3.377 8.826 10.221 1.00 38.84 H new ATOM 0 HB3 GLU A 103 -4.923 8.758 9.398 1.00 38.84 H new ATOM 0 HG2 GLU A 103 -4.925 6.210 9.940 1.00 44.99 H new ATOM 0 HG3 GLU A 103 -3.587 6.544 11.021 1.00 44.99 H new ATOM 61 N ILE A 104 -4.360 8.793 6.522 1.00 39.26 N ATOM 62 CA ILE A 104 -4.411 9.838 5.463 1.00 40.91 C ATOM 63 C ILE A 104 -5.014 11.120 6.043 1.00 42.72 C ATOM 64 O ILE A 104 -6.207 11.340 5.979 1.00 43.33 O ATOM 65 CB ILE A 104 -5.277 9.347 4.301 1.00 40.30 C ATOM 66 CG1 ILE A 104 -4.567 8.193 3.589 1.00 39.28 C ATOM 67 CG2 ILE A 104 -5.504 10.491 3.311 1.00 41.44 C ATOM 68 CD1 ILE A 104 -5.008 6.865 4.207 1.00 37.66 C ATOM 0 H ILE A 104 -5.156 8.155 6.540 1.00 39.26 H new ATOM 0 HA ILE A 104 -3.402 10.040 5.102 1.00 40.91 H new ATOM 0 HB ILE A 104 -6.238 9.004 4.686 1.00 40.30 H new ATOM 0 HG12 ILE A 104 -4.803 8.208 2.525 1.00 39.28 H new ATOM 0 HG13 ILE A 104 -3.487 8.307 3.677 1.00 39.28 H new ATOM 0 HG21 ILE A 104 -6.121 10.139 2.484 1.00 41.44 H new ATOM 0 HG22 ILE A 104 -6.009 11.314 3.816 1.00 41.44 H new ATOM 0 HG23 ILE A 104 -4.544 10.835 2.927 1.00 41.44 H new ATOM 0 HD11 ILE A 104 -4.503 6.042 3.701 1.00 37.66 H new ATOM 0 HD12 ILE A 104 -4.749 6.853 5.266 1.00 37.66 H new ATOM 0 HD13 ILE A 104 -6.086 6.752 4.096 1.00 37.66 H new ATOM 80 N GLU A 105 -4.198 11.967 6.609 1.00 0.00 N ATOM 81 CA GLU A 105 -4.725 13.232 7.192 1.00 0.00 C ATOM 82 C GLU A 105 -4.306 14.412 6.314 1.00 0.00 C ATOM 83 O GLU A 105 -3.114 14.598 6.136 1.00 0.00 O ATOM 84 CB GLU A 105 -4.160 13.418 8.602 1.00 0.00 C ATOM 85 CG GLU A 105 -4.676 12.301 9.511 1.00 0.00 C ATOM 86 CD GLU A 105 -4.788 12.821 10.946 1.00 0.00 C ATOM 87 OE1 GLU A 105 -5.673 13.622 11.196 1.00 0.00 O ATOM 88 OE2 GLU A 105 -3.988 12.408 11.768 1.00 0.00 O ATOM 89 OXT GLU A 105 -5.185 15.110 5.835 1.00 0.00 O ATOM 0 H GLU A 105 -3.190 11.837 6.693 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.813 13.184 7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.070 13.404 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.456 14.389 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.648 11.954 9.162 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.000 11.446 9.474 1.00 0.00 H new TER 96 GLU A 105 ATOM 97 N MET B 140 -9.347 -3.563 -13.339 1.00 0.00 N ATOM 98 CA MET B 140 -10.143 -4.770 -13.705 1.00 0.00 C ATOM 99 C MET B 140 -10.609 -5.478 -12.431 1.00 0.00 C ATOM 100 O MET B 140 -10.108 -5.229 -11.352 1.00 0.00 O ATOM 101 CB MET B 140 -9.276 -5.723 -14.530 1.00 0.00 C ATOM 102 CG MET B 140 -8.486 -4.925 -15.569 1.00 0.00 C ATOM 103 SD MET B 140 -9.634 -4.158 -16.740 1.00 0.00 S ATOM 104 CE MET B 140 -9.007 -2.467 -16.597 1.00 0.00 C ATOM 0 HA MET B 140 -11.011 -4.469 -14.292 1.00 0.00 H new ATOM 0 HB2 MET B 140 -8.593 -6.267 -13.878 1.00 0.00 H new ATOM 0 HB3 MET B 140 -9.902 -6.465 -15.025 1.00 0.00 H new ATOM 0 HG2 MET B 140 -7.886 -4.159 -15.076 1.00 0.00 H new ATOM 0 HG3 MET B 140 -7.794 -5.581 -16.098 1.00 0.00 H new ATOM 0 HE1 MET B 140 -9.484 -1.837 -17.348 1.00 0.00 H new ATOM 0 HE2 MET B 140 -9.231 -2.079 -15.603 1.00 0.00 H new ATOM 0 HE3 MET B 140 -7.928 -2.465 -16.753 1.00 0.00 H new ATOM 116 N ASP B 141 -11.564 -6.358 -12.547 1.00 0.00 N ATOM 117 CA ASP B 141 -12.062 -7.081 -11.342 1.00 0.00 C ATOM 118 C ASP B 141 -11.265 -8.374 -11.157 1.00 0.00 C ATOM 119 O ASP B 141 -11.819 -9.454 -11.099 1.00 0.00 O ATOM 120 CB ASP B 141 -13.543 -7.417 -11.524 1.00 0.00 C ATOM 121 CG ASP B 141 -14.356 -6.123 -11.588 1.00 0.00 C ATOM 122 OD1 ASP B 141 -14.109 -5.335 -12.486 1.00 0.00 O ATOM 123 OD2 ASP B 141 -15.213 -5.942 -10.738 1.00 0.00 O ATOM 0 H ASP B 141 -12.022 -6.608 -13.424 1.00 0.00 H new ATOM 0 HA ASP B 141 -11.938 -6.449 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP B 141 -13.686 -7.994 -12.437 1.00 0.00 H new ATOM 0 HB3 ASP B 141 -13.890 -8.037 -10.697 1.00 0.00 H new ATOM 128 N SER B 142 -9.967 -8.274 -11.064 1.00 0.00 N ATOM 129 CA SER B 142 -9.137 -9.498 -10.883 1.00 0.00 C ATOM 130 C SER B 142 -8.096 -9.250 -9.789 1.00 0.00 C ATOM 131 O SER B 142 -6.990 -8.823 -10.056 1.00 0.00 O ATOM 132 CB SER B 142 -8.428 -9.832 -12.195 1.00 0.00 C ATOM 133 OG SER B 142 -9.214 -10.761 -12.930 1.00 0.00 O ATOM 0 H SER B 142 -9.446 -7.398 -11.106 1.00 0.00 H new ATOM 0 HA SER B 142 -9.777 -10.332 -10.594 1.00 0.00 H new ATOM 0 HB2 SER B 142 -8.274 -8.925 -12.780 1.00 0.00 H new ATOM 0 HB3 SER B 142 -7.443 -10.252 -11.993 1.00 0.00 H new ATOM 0 HG SER B 142 -8.763 -10.976 -13.773 1.00 0.00 H new ATOM 139 N ILE B 143 -8.441 -9.516 -8.559 1.00 0.00 N ATOM 140 CA ILE B 143 -7.473 -9.295 -7.448 1.00 0.00 C ATOM 141 C ILE B 143 -6.389 -10.375 -7.485 1.00 0.00 C ATOM 142 O ILE B 143 -5.392 -10.290 -6.794 1.00 0.00 O ATOM 143 CB ILE B 143 -8.212 -9.362 -6.110 1.00 0.00 C ATOM 144 CG1 ILE B 143 -7.215 -9.160 -4.967 1.00 0.00 C ATOM 145 CG2 ILE B 143 -8.882 -10.729 -5.965 1.00 0.00 C ATOM 146 CD1 ILE B 143 -7.963 -9.141 -3.633 1.00 0.00 C ATOM 0 H ILE B 143 -9.352 -9.877 -8.275 1.00 0.00 H new ATOM 0 HA ILE B 143 -7.010 -8.315 -7.562 1.00 0.00 H new ATOM 0 HB ILE B 143 -8.970 -8.580 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -6.476 -9.961 -4.970 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -6.672 -8.225 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -9.409 -10.777 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -9.592 -10.875 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -8.124 -11.511 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -7.252 -8.997 -2.819 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -8.685 -8.325 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -8.485 -10.088 -3.495 1.00 0.00 H new ATOM 158 N GLN B 144 -6.572 -11.393 -8.282 1.00 0.00 N ATOM 159 CA GLN B 144 -5.548 -12.472 -8.354 1.00 0.00 C ATOM 160 C GLN B 144 -4.732 -12.321 -9.640 1.00 0.00 C ATOM 161 O GLN B 144 -4.033 -13.225 -10.052 1.00 0.00 O ATOM 162 CB GLN B 144 -6.243 -13.835 -8.350 1.00 0.00 C ATOM 163 CG GLN B 144 -5.288 -14.895 -7.798 1.00 0.00 C ATOM 164 CD GLN B 144 -4.744 -15.743 -8.949 1.00 0.00 C ATOM 165 OE1 GLN B 144 -5.501 -16.303 -9.718 1.00 0.00 O ATOM 166 NE2 GLN B 144 -3.454 -15.862 -9.102 1.00 0.00 N ATOM 0 H GLN B 144 -7.385 -11.523 -8.885 1.00 0.00 H new ATOM 0 HA GLN B 144 -4.884 -12.398 -7.493 1.00 0.00 H new ATOM 0 HB2 GLN B 144 -7.146 -13.792 -7.742 1.00 0.00 H new ATOM 0 HB3 GLN B 144 -6.552 -14.100 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN B 144 -4.466 -14.417 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN B 144 -5.808 -15.529 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN B 144 -2.818 -15.392 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN B 144 -3.081 -16.425 -9.867 1.00 0.00 H new ATOM 175 N ALA B 145 -4.816 -11.187 -10.281 1.00 42.36 N ATOM 176 CA ALA B 145 -4.044 -10.987 -11.539 1.00 39.52 C ATOM 177 C ALA B 145 -3.389 -9.601 -11.539 1.00 36.36 C ATOM 178 O ALA B 145 -2.771 -9.201 -12.505 1.00 36.34 O ATOM 179 CB ALA B 145 -4.987 -11.101 -12.739 1.00 40.62 C ATOM 0 H ALA B 145 -5.385 -10.392 -9.988 1.00 42.36 H new ATOM 0 HA ALA B 145 -3.268 -11.750 -11.605 1.00 39.52 H new ATOM 0 HB1 ALA B 145 -4.423 -10.955 -13.660 1.00 40.62 H new ATOM 0 HB2 ALA B 145 -5.447 -12.089 -12.748 1.00 40.62 H new ATOM 0 HB3 ALA B 145 -5.764 -10.340 -12.665 1.00 40.62 H new ATOM 185 N GLU B 146 -3.517 -8.864 -10.469 1.00 32.22 N ATOM 186 CA GLU B 146 -2.897 -7.508 -10.426 1.00 28.03 C ATOM 187 C GLU B 146 -1.393 -7.636 -10.189 1.00 24.38 C ATOM 188 O GLU B 146 -0.939 -8.468 -9.426 1.00 22.48 O ATOM 189 CB GLU B 146 -3.515 -6.685 -9.296 1.00 27.81 C ATOM 190 CG GLU B 146 -3.423 -7.461 -7.982 1.00 30.44 C ATOM 191 CD GLU B 146 -4.767 -7.399 -7.250 1.00 31.15 C ATOM 192 OE1 GLU B 146 -5.646 -6.700 -7.725 1.00 30.91 O ATOM 193 OE2 GLU B 146 -4.892 -8.049 -6.226 1.00 34.56 O ATOM 0 H GLU B 146 -4.021 -9.140 -9.626 1.00 32.22 H new ATOM 0 HA GLU B 146 -3.078 -7.008 -11.378 1.00 28.03 H new ATOM 0 HB2 GLU B 146 -2.996 -5.731 -9.203 1.00 27.81 H new ATOM 0 HB3 GLU B 146 -4.557 -6.461 -9.525 1.00 27.81 H new ATOM 0 HG2 GLU B 146 -3.153 -8.498 -8.179 1.00 30.44 H new ATOM 0 HG3 GLU B 146 -2.637 -7.041 -7.355 1.00 30.44 H new ATOM 200 N GLU B 147 -0.618 -6.813 -10.835 1.00 21.92 N ATOM 201 CA GLU B 147 0.858 -6.881 -10.653 1.00 21.70 C ATOM 202 C GLU B 147 1.240 -6.321 -9.281 1.00 19.46 C ATOM 203 O GLU B 147 2.390 -6.359 -8.890 1.00 19.28 O ATOM 204 CB GLU B 147 1.544 -6.057 -11.745 1.00 26.72 C ATOM 205 CG GLU B 147 3.052 -6.029 -11.488 1.00 37.15 C ATOM 206 CD GLU B 147 3.782 -5.613 -12.766 1.00 41.71 C ATOM 207 OE1 GLU B 147 3.781 -6.392 -13.705 1.00 45.02 O ATOM 208 OE2 GLU B 147 4.331 -4.524 -12.783 1.00 46.00 O ATOM 0 H GLU B 147 -0.943 -6.095 -11.482 1.00 21.92 H new ATOM 0 HA GLU B 147 1.179 -7.920 -10.719 1.00 21.70 H new ATOM 0 HB2 GLU B 147 1.339 -6.489 -12.725 1.00 26.72 H new ATOM 0 HB3 GLU B 147 1.146 -5.042 -11.754 1.00 26.72 H new ATOM 0 HG2 GLU B 147 3.281 -5.331 -10.683 1.00 37.15 H new ATOM 0 HG3 GLU B 147 3.394 -7.012 -11.165 1.00 37.15 H new ATOM 215 N TRP B 148 0.296 -5.804 -8.542 1.00 17.10 N ATOM 216 CA TRP B 148 0.637 -5.252 -7.201 1.00 12.75 C ATOM 217 C TRP B 148 0.104 -6.180 -6.106 1.00 12.19 C ATOM 218 O TRP B 148 -0.014 -5.796 -4.959 1.00 11.66 O ATOM 219 CB TRP B 148 0.034 -3.853 -7.037 1.00 14.42 C ATOM 220 CG TRP B 148 -1.356 -3.822 -7.588 1.00 13.12 C ATOM 221 CD1 TRP B 148 -1.682 -3.468 -8.853 1.00 13.11 C ATOM 222 CD2 TRP B 148 -2.610 -4.137 -6.914 1.00 12.81 C ATOM 223 NE1 TRP B 148 -3.056 -3.546 -9.001 1.00 12.63 N ATOM 224 CE2 TRP B 148 -3.673 -3.956 -7.835 1.00 13.14 C ATOM 225 CE3 TRP B 148 -2.924 -4.561 -5.606 1.00 10.52 C ATOM 226 CZ2 TRP B 148 -5.004 -4.187 -7.471 1.00 13.39 C ATOM 227 CZ3 TRP B 148 -4.264 -4.794 -5.235 1.00 12.83 C ATOM 228 CH2 TRP B 148 -5.301 -4.607 -6.166 1.00 12.53 C ATOM 0 H TRP B 148 -0.687 -5.740 -8.806 1.00 17.10 H new ATOM 0 HA TRP B 148 1.721 -5.181 -7.114 1.00 12.75 H new ATOM 0 HB2 TRP B 148 0.021 -3.576 -5.983 1.00 14.42 H new ATOM 0 HB3 TRP B 148 0.654 -3.119 -7.552 1.00 14.42 H new ATOM 0 HD1 TRP B 148 -0.984 -3.173 -9.622 1.00 13.11 H new ATOM 0 HE1 TRP B 148 -3.552 -3.328 -9.865 1.00 12.63 H new ATOM 0 HE3 TRP B 148 -2.134 -4.708 -4.885 1.00 10.52 H new ATOM 0 HZ2 TRP B 148 -5.797 -4.043 -8.190 1.00 13.39 H new ATOM 0 HZ3 TRP B 148 -4.495 -5.118 -4.231 1.00 12.83 H new ATOM 0 HH2 TRP B 148 -6.326 -4.787 -5.876 1.00 12.53 H new ATOM 239 N TYR B 149 -0.209 -7.403 -6.445 1.00 11.66 N ATOM 240 CA TYR B 149 -0.721 -8.350 -5.414 1.00 13.63 C ATOM 241 C TYR B 149 0.173 -9.590 -5.374 1.00 14.73 C ATOM 242 O TYR B 149 0.111 -10.441 -6.239 1.00 16.34 O ATOM 243 CB TYR B 149 -2.150 -8.770 -5.760 1.00 12.52 C ATOM 244 CG TYR B 149 -2.615 -9.825 -4.784 1.00 15.49 C ATOM 245 CD1 TYR B 149 -3.049 -9.452 -3.500 1.00 19.03 C ATOM 246 CD2 TYR B 149 -2.611 -11.179 -5.158 1.00 14.45 C ATOM 247 CE1 TYR B 149 -3.479 -10.434 -2.592 1.00 20.41 C ATOM 248 CE2 TYR B 149 -3.042 -12.161 -4.249 1.00 15.99 C ATOM 249 CZ TYR B 149 -3.476 -11.787 -2.966 1.00 21.15 C ATOM 250 OH TYR B 149 -3.899 -12.752 -2.073 1.00 23.67 O ATOM 0 H TYR B 149 -0.132 -7.785 -7.388 1.00 11.66 H new ATOM 0 HA TYR B 149 -0.714 -7.859 -4.441 1.00 13.63 H new ATOM 0 HB2 TYR B 149 -2.814 -7.906 -5.722 1.00 12.52 H new ATOM 0 HB3 TYR B 149 -2.190 -9.158 -6.778 1.00 12.52 H new ATOM 0 HD1 TYR B 149 -3.052 -8.411 -3.212 1.00 19.03 H new ATOM 0 HD2 TYR B 149 -2.277 -11.466 -6.144 1.00 14.45 H new ATOM 0 HE1 TYR B 149 -3.812 -10.148 -1.605 1.00 20.41 H new ATOM 0 HE2 TYR B 149 -3.040 -13.202 -4.537 1.00 15.99 H new ATOM 0 HH TYR B 149 -3.834 -13.636 -2.491 1.00 23.67 H new ATOM 260 N PHE B 150 1.007 -9.700 -4.375 1.00 14.41 N ATOM 261 CA PHE B 150 1.904 -10.887 -4.283 1.00 13.20 C ATOM 262 C PHE B 150 1.253 -11.949 -3.395 1.00 12.95 C ATOM 263 O PHE B 150 1.316 -13.129 -3.676 1.00 12.44 O ATOM 264 CB PHE B 150 3.246 -10.468 -3.679 1.00 13.34 C ATOM 265 CG PHE B 150 3.668 -9.136 -4.256 1.00 10.91 C ATOM 266 CD1 PHE B 150 3.332 -8.802 -5.580 1.00 10.09 C ATOM 267 CD2 PHE B 150 4.397 -8.230 -3.467 1.00 10.43 C ATOM 268 CE1 PHE B 150 3.727 -7.564 -6.114 1.00 7.94 C ATOM 269 CE2 PHE B 150 4.791 -6.992 -4.002 1.00 9.38 C ATOM 270 CZ PHE B 150 4.455 -6.659 -5.325 1.00 8.81 C ATOM 0 H PHE B 150 1.106 -9.021 -3.620 1.00 14.41 H new ATOM 0 HA PHE B 150 2.068 -11.297 -5.280 1.00 13.20 H new ATOM 0 HB2 PHE B 150 3.161 -10.396 -2.595 1.00 13.34 H new ATOM 0 HB3 PHE B 150 4.003 -11.223 -3.890 1.00 13.34 H new ATOM 0 HD1 PHE B 150 2.770 -9.497 -6.186 1.00 10.09 H new ATOM 0 HD2 PHE B 150 4.654 -8.485 -2.450 1.00 10.43 H new ATOM 0 HE1 PHE B 150 3.471 -7.308 -7.132 1.00 7.94 H new ATOM 0 HE2 PHE B 150 5.352 -6.296 -3.396 1.00 9.38 H new ATOM 0 HZ PHE B 150 4.757 -5.707 -5.735 1.00 8.81 H new ATOM 280 N GLY B 151 0.626 -11.541 -2.326 1.00 14.57 N ATOM 281 CA GLY B 151 -0.028 -12.529 -1.423 1.00 13.68 C ATOM 282 C GLY B 151 0.439 -12.301 0.015 1.00 15.95 C ATOM 283 O GLY B 151 0.568 -11.180 0.466 1.00 16.08 O ATOM 0 H GLY B 151 0.538 -10.566 -2.039 1.00 14.57 H new ATOM 0 HA2 GLY B 151 -1.112 -12.430 -1.484 1.00 13.68 H new ATOM 0 HA3 GLY B 151 0.217 -13.543 -1.739 1.00 13.68 H new ATOM 287 N LYS B 152 0.690 -13.356 0.741 1.00 14.92 N ATOM 288 CA LYS B 152 1.145 -13.201 2.151 1.00 16.57 C ATOM 289 C LYS B 152 2.673 -13.262 2.204 1.00 15.79 C ATOM 290 O LYS B 152 3.288 -14.175 1.690 1.00 15.62 O ATOM 291 CB LYS B 152 0.561 -14.331 3.001 1.00 19.39 C ATOM 292 CG LYS B 152 1.183 -14.296 4.398 1.00 26.20 C ATOM 293 CD LYS B 152 2.022 -15.557 4.615 1.00 32.70 C ATOM 294 CE LYS B 152 3.187 -15.242 5.555 1.00 38.73 C ATOM 295 NZ LYS B 152 4.476 -15.454 4.836 1.00 43.61 N ATOM 0 H LYS B 152 0.599 -14.319 0.418 1.00 14.92 H new ATOM 0 HA LYS B 152 0.806 -12.240 2.539 1.00 16.57 H new ATOM 0 HB2 LYS B 152 -0.522 -14.225 3.071 1.00 19.39 H new ATOM 0 HB3 LYS B 152 0.757 -15.294 2.529 1.00 19.39 H new ATOM 0 HG2 LYS B 152 1.806 -13.408 4.508 1.00 26.20 H new ATOM 0 HG3 LYS B 152 0.401 -14.232 5.154 1.00 26.20 H new ATOM 0 HD2 LYS B 152 1.404 -16.349 5.038 1.00 32.70 H new ATOM 0 HD3 LYS B 152 2.400 -15.923 3.661 1.00 32.70 H new ATOM 0 HE2 LYS B 152 3.118 -14.212 5.904 1.00 38.73 H new ATOM 0 HE3 LYS B 152 3.140 -15.881 6.437 1.00 38.73 H new ATOM 0 HZ1 LYS B 152 5.264 -15.128 5.432 1.00 43.61 H new ATOM 0 HZ2 LYS B 152 4.595 -16.466 4.628 1.00 43.61 H new ATOM 0 HZ3 LYS B 152 4.470 -14.916 3.946 1.00 43.61 H new ATOM 309 N ILE B 153 3.292 -12.295 2.825 1.00 16.90 N ATOM 310 CA ILE B 153 4.779 -12.297 2.915 1.00 16.60 C ATOM 311 C ILE B 153 5.203 -11.882 4.325 1.00 17.59 C ATOM 312 O ILE B 153 4.622 -11.000 4.925 1.00 21.20 O ATOM 313 CB ILE B 153 5.353 -11.310 1.897 1.00 15.36 C ATOM 314 CG1 ILE B 153 4.529 -10.020 1.916 1.00 14.56 C ATOM 315 CG2 ILE B 153 5.300 -11.928 0.499 1.00 15.80 C ATOM 316 CD1 ILE B 153 5.091 -9.040 0.884 1.00 13.00 C ATOM 0 H ILE B 153 2.831 -11.503 3.274 1.00 16.90 H new ATOM 0 HA ILE B 153 5.156 -13.297 2.702 1.00 16.60 H new ATOM 0 HB ILE B 153 6.388 -11.085 2.155 1.00 15.36 H new ATOM 0 HG12 ILE B 153 3.485 -10.240 1.694 1.00 14.56 H new ATOM 0 HG13 ILE B 153 4.556 -9.573 2.910 1.00 14.56 H new ATOM 0 HG21 ILE B 153 5.709 -11.224 -0.226 1.00 15.80 H new ATOM 0 HG22 ILE B 153 5.887 -12.846 0.485 1.00 15.80 H new ATOM 0 HG23 ILE B 153 4.266 -12.155 0.240 1.00 15.80 H new ATOM 0 HD11 ILE B 153 4.504 -8.121 0.897 1.00 13.00 H new ATOM 0 HD12 ILE B 153 6.129 -8.811 1.127 1.00 13.00 H new ATOM 0 HD13 ILE B 153 5.041 -9.488 -0.108 1.00 13.00 H new ATOM 328 N THR B 154 6.212 -12.513 4.861 1.00 16.79 N ATOM 329 CA THR B 154 6.671 -12.156 6.233 1.00 16.02 C ATOM 330 C THR B 154 6.881 -10.643 6.324 1.00 15.06 C ATOM 331 O THR B 154 7.045 -9.968 5.326 1.00 14.17 O ATOM 332 CB THR B 154 7.988 -12.874 6.534 1.00 18.43 C ATOM 333 OG1 THR B 154 9.028 -12.299 5.753 1.00 22.52 O ATOM 334 CG2 THR B 154 7.853 -14.359 6.193 1.00 19.67 C ATOM 0 H THR B 154 6.738 -13.260 4.408 1.00 16.79 H new ATOM 0 HA THR B 154 5.917 -12.462 6.959 1.00 16.02 H new ATOM 0 HB THR B 154 8.226 -12.768 7.592 1.00 18.43 H new ATOM 0 HG1 THR B 154 9.801 -12.112 6.325 1.00 22.52 H new ATOM 0 HG21 THR B 154 8.792 -14.869 6.408 1.00 19.67 H new ATOM 0 HG22 THR B 154 7.056 -14.799 6.792 1.00 19.67 H new ATOM 0 HG23 THR B 154 7.614 -14.469 5.135 1.00 19.67 H new ATOM 342 N ARG B 155 6.880 -10.105 7.512 1.00 15.92 N ATOM 343 CA ARG B 155 7.081 -8.636 7.666 1.00 14.63 C ATOM 344 C ARG B 155 8.535 -8.286 7.343 1.00 15.69 C ATOM 345 O ARG B 155 8.813 -7.325 6.653 1.00 13.45 O ATOM 346 CB ARG B 155 6.764 -8.224 9.104 1.00 13.07 C ATOM 347 CG ARG B 155 7.147 -6.757 9.311 1.00 14.81 C ATOM 348 CD ARG B 155 6.995 -6.393 10.789 1.00 13.27 C ATOM 349 NE ARG B 155 7.786 -7.345 11.619 1.00 16.05 N ATOM 350 CZ ARG B 155 8.936 -6.978 12.115 1.00 8.86 C ATOM 351 NH1 ARG B 155 8.977 -6.237 13.188 1.00 8.73 N ATOM 352 NH2 ARG B 155 10.044 -7.353 11.538 1.00 12.78 N ATOM 0 H ARG B 155 6.749 -10.619 8.383 1.00 15.92 H new ATOM 0 HA ARG B 155 6.418 -8.105 6.983 1.00 14.63 H new ATOM 0 HB2 ARG B 155 5.703 -8.366 9.309 1.00 13.07 H new ATOM 0 HB3 ARG B 155 7.311 -8.856 9.804 1.00 13.07 H new ATOM 0 HG2 ARG B 155 8.175 -6.589 8.988 1.00 14.81 H new ATOM 0 HG3 ARG B 155 6.512 -6.115 8.700 1.00 14.81 H new ATOM 0 HD2 ARG B 155 7.338 -5.373 10.960 1.00 13.27 H new ATOM 0 HD3 ARG B 155 5.944 -6.429 11.077 1.00 13.27 H new ATOM 0 HE ARG B 155 7.429 -8.283 11.799 1.00 16.05 H new ATOM 0 HH11 ARG B 155 8.110 -5.945 13.639 1.00 8.73 H new ATOM 0 HH12 ARG B 155 9.876 -5.950 13.576 1.00 8.73 H new ATOM 0 HH21 ARG B 155 10.011 -7.933 10.699 1.00 12.78 H new ATOM 0 HH22 ARG B 155 10.943 -7.066 11.925 1.00 12.78 H new ATOM 366 N ARG B 156 9.465 -9.057 7.835 1.00 16.92 N ATOM 367 CA ARG B 156 10.898 -8.767 7.555 1.00 18.61 C ATOM 368 C ARG B 156 11.100 -8.608 6.047 1.00 17.01 C ATOM 369 O ARG B 156 11.763 -7.698 5.591 1.00 17.04 O ATOM 370 CB ARG B 156 11.763 -9.922 8.066 1.00 24.11 C ATOM 371 CG ARG B 156 13.211 -9.451 8.214 1.00 33.87 C ATOM 372 CD ARG B 156 14.159 -10.612 7.909 1.00 41.26 C ATOM 373 NE ARG B 156 15.534 -10.084 7.684 1.00 49.98 N ATOM 374 CZ ARG B 156 16.160 -9.462 8.644 1.00 51.87 C ATOM 375 NH1 ARG B 156 15.991 -9.837 9.883 1.00 53.57 N ATOM 376 NH2 ARG B 156 16.955 -8.466 8.367 1.00 52.15 N ATOM 0 H ARG B 156 9.294 -9.876 8.419 1.00 16.92 H new ATOM 0 HA ARG B 156 11.187 -7.846 8.061 1.00 18.61 H new ATOM 0 HB2 ARG B 156 11.385 -10.276 9.025 1.00 24.11 H new ATOM 0 HB3 ARG B 156 11.712 -10.762 7.373 1.00 24.11 H new ATOM 0 HG2 ARG B 156 13.406 -8.621 7.535 1.00 33.87 H new ATOM 0 HG3 ARG B 156 13.383 -9.083 9.225 1.00 33.87 H new ATOM 0 HD2 ARG B 156 14.161 -11.321 8.737 1.00 41.26 H new ATOM 0 HD3 ARG B 156 13.817 -11.153 7.027 1.00 41.26 H new ATOM 0 HE ARG B 156 15.986 -10.209 6.778 1.00 49.98 H new ATOM 0 HH11 ARG B 156 15.370 -10.616 10.100 1.00 53.57 H new ATOM 0 HH12 ARG B 156 16.480 -9.351 10.634 1.00 53.57 H new ATOM 0 HH21 ARG B 156 17.087 -8.173 7.399 1.00 52.15 H new ATOM 0 HH22 ARG B 156 17.444 -7.980 9.118 1.00 52.15 H new ATOM 390 N GLU B 157 10.531 -9.487 5.268 1.00 15.73 N ATOM 391 CA GLU B 157 10.687 -9.385 3.790 1.00 15.26 C ATOM 392 C GLU B 157 9.915 -8.167 3.278 1.00 14.10 C ATOM 393 O GLU B 157 10.291 -7.546 2.305 1.00 15.48 O ATOM 394 CB GLU B 157 10.137 -10.652 3.131 1.00 19.30 C ATOM 395 CG GLU B 157 10.519 -10.667 1.650 1.00 28.11 C ATOM 396 CD GLU B 157 10.709 -12.112 1.185 1.00 29.65 C ATOM 397 OE1 GLU B 157 9.959 -12.962 1.638 1.00 28.63 O ATOM 398 OE2 GLU B 157 11.601 -12.345 0.386 1.00 31.13 O ATOM 0 H GLU B 157 9.965 -10.271 5.592 1.00 15.73 H new ATOM 0 HA GLU B 157 11.743 -9.276 3.543 1.00 15.26 H new ATOM 0 HB2 GLU B 157 10.536 -11.536 3.629 1.00 19.30 H new ATOM 0 HB3 GLU B 157 9.053 -10.688 3.238 1.00 19.30 H new ATOM 0 HG2 GLU B 157 9.742 -10.183 1.058 1.00 28.11 H new ATOM 0 HG3 GLU B 157 11.437 -10.100 1.495 1.00 28.11 H new ATOM 405 N SER B 158 8.836 -7.823 3.927 1.00 11.43 N ATOM 406 CA SER B 158 8.039 -6.647 3.479 1.00 9.58 C ATOM 407 C SER B 158 8.944 -5.415 3.405 1.00 10.15 C ATOM 408 O SER B 158 9.087 -4.799 2.367 1.00 12.31 O ATOM 409 CB SER B 158 6.908 -6.389 4.474 1.00 8.90 C ATOM 410 OG SER B 158 6.286 -7.623 4.808 1.00 11.55 O ATOM 0 H SER B 158 8.472 -8.306 4.748 1.00 11.43 H new ATOM 0 HA SER B 158 7.618 -6.848 2.494 1.00 9.58 H new ATOM 0 HB2 SER B 158 7.300 -5.911 5.372 1.00 8.90 H new ATOM 0 HB3 SER B 158 6.177 -5.705 4.042 1.00 8.90 H new ATOM 0 HG SER B 158 6.973 -8.288 5.024 1.00 11.55 H new ATOM 416 N GLU B 159 9.556 -5.049 4.498 1.00 11.35 N ATOM 417 CA GLU B 159 10.449 -3.858 4.490 1.00 12.85 C ATOM 418 C GLU B 159 11.656 -4.132 3.591 1.00 15.16 C ATOM 419 O GLU B 159 12.154 -3.251 2.919 1.00 13.16 O ATOM 420 CB GLU B 159 10.928 -3.573 5.915 1.00 13.71 C ATOM 421 CG GLU B 159 9.948 -2.622 6.603 1.00 16.00 C ATOM 422 CD GLU B 159 10.638 -1.949 7.791 1.00 19.40 C ATOM 423 OE1 GLU B 159 11.799 -1.602 7.657 1.00 21.73 O ATOM 424 OE2 GLU B 159 9.994 -1.794 8.816 1.00 26.69 O ATOM 0 H GLU B 159 9.475 -5.525 5.397 1.00 11.35 H new ATOM 0 HA GLU B 159 9.902 -2.995 4.110 1.00 12.85 H new ATOM 0 HB2 GLU B 159 11.003 -4.504 6.477 1.00 13.71 H new ATOM 0 HB3 GLU B 159 11.925 -3.132 5.893 1.00 13.71 H new ATOM 0 HG2 GLU B 159 9.600 -1.868 5.897 1.00 16.00 H new ATOM 0 HG3 GLU B 159 9.070 -3.171 6.942 1.00 16.00 H new ATOM 431 N ARG B 160 12.131 -5.347 3.574 1.00 15.73 N ATOM 432 CA ARG B 160 13.305 -5.678 2.719 1.00 17.77 C ATOM 433 C ARG B 160 12.963 -5.413 1.252 1.00 17.96 C ATOM 434 O ARG B 160 13.833 -5.236 0.424 1.00 17.67 O ATOM 435 CB ARG B 160 13.663 -7.152 2.898 1.00 21.81 C ATOM 436 CG ARG B 160 15.123 -7.378 2.505 1.00 30.59 C ATOM 437 CD ARG B 160 15.191 -7.841 1.050 1.00 37.74 C ATOM 438 NE ARG B 160 15.489 -9.301 1.007 1.00 43.93 N ATOM 439 CZ ARG B 160 16.077 -9.816 -0.038 1.00 48.64 C ATOM 440 NH1 ARG B 160 15.534 -9.694 -1.218 1.00 50.79 N ATOM 441 NH2 ARG B 160 17.207 -10.453 0.099 1.00 51.68 N ATOM 0 H ARG B 160 11.756 -6.126 4.116 1.00 15.73 H new ATOM 0 HA ARG B 160 14.152 -5.057 3.011 1.00 17.77 H new ATOM 0 HB2 ARG B 160 13.504 -7.452 3.934 1.00 21.81 H new ATOM 0 HB3 ARG B 160 13.011 -7.772 2.283 1.00 21.81 H new ATOM 0 HG2 ARG B 160 15.692 -6.457 2.632 1.00 30.59 H new ATOM 0 HG3 ARG B 160 15.575 -8.125 3.157 1.00 30.59 H new ATOM 0 HD2 ARG B 160 14.245 -7.637 0.548 1.00 37.74 H new ATOM 0 HD3 ARG B 160 15.962 -7.286 0.516 1.00 37.74 H new ATOM 0 HE ARG B 160 15.233 -9.897 1.794 1.00 43.93 H new ATOM 0 HH11 ARG B 160 14.650 -9.196 -1.324 1.00 50.79 H new ATOM 0 HH12 ARG B 160 15.993 -10.096 -2.035 1.00 50.79 H new ATOM 0 HH21 ARG B 160 17.630 -10.548 1.022 1.00 51.68 H new ATOM 0 HH22 ARG B 160 17.667 -10.856 -0.717 1.00 51.68 H new ATOM 455 N LEU B 161 11.700 -5.390 0.924 1.00 16.19 N ATOM 456 CA LEU B 161 11.302 -5.144 -0.491 1.00 12.63 C ATOM 457 C LEU B 161 11.118 -3.641 -0.725 1.00 13.41 C ATOM 458 O LEU B 161 11.545 -3.105 -1.728 1.00 14.12 O ATOM 459 CB LEU B 161 9.986 -5.869 -0.781 1.00 10.23 C ATOM 460 CG LEU B 161 10.276 -7.327 -1.136 1.00 11.74 C ATOM 461 CD1 LEU B 161 8.966 -8.042 -1.470 1.00 10.85 C ATOM 462 CD2 LEU B 161 11.207 -7.379 -2.350 1.00 15.84 C ATOM 0 H LEU B 161 10.927 -5.531 1.574 1.00 16.19 H new ATOM 0 HA LEU B 161 12.081 -5.518 -1.155 1.00 12.63 H new ATOM 0 HB2 LEU B 161 9.331 -5.819 0.089 1.00 10.23 H new ATOM 0 HB3 LEU B 161 9.463 -5.380 -1.603 1.00 10.23 H new ATOM 0 HG LEU B 161 10.753 -7.819 -0.288 1.00 11.74 H new ATOM 0 HD11 LEU B 161 9.173 -9.082 -1.723 1.00 10.85 H new ATOM 0 HD12 LEU B 161 8.301 -8.004 -0.607 1.00 10.85 H new ATOM 0 HD13 LEU B 161 8.489 -7.550 -2.318 1.00 10.85 H new ATOM 0 HD21 LEU B 161 11.415 -8.418 -2.605 1.00 15.84 H new ATOM 0 HD22 LEU B 161 10.729 -6.887 -3.197 1.00 15.84 H new ATOM 0 HD23 LEU B 161 12.141 -6.869 -2.114 1.00 15.84 H new ATOM 474 N LEU B 162 10.482 -2.960 0.188 1.00 12.10 N ATOM 475 CA LEU B 162 10.269 -1.496 0.010 1.00 13.70 C ATOM 476 C LEU B 162 11.496 -0.725 0.504 1.00 15.43 C ATOM 477 O LEU B 162 11.531 0.489 0.468 1.00 15.50 O ATOM 478 CB LEU B 162 9.041 -1.059 0.812 1.00 13.91 C ATOM 479 CG LEU B 162 7.790 -1.722 0.234 1.00 12.97 C ATOM 480 CD1 LEU B 162 6.737 -1.870 1.334 1.00 9.03 C ATOM 481 CD2 LEU B 162 7.228 -0.852 -0.893 1.00 11.59 C ATOM 0 H LEU B 162 10.101 -3.353 1.049 1.00 12.10 H new ATOM 0 HA LEU B 162 10.114 -1.284 -1.048 1.00 13.70 H new ATOM 0 HB2 LEU B 162 9.161 -1.335 1.860 1.00 13.91 H new ATOM 0 HB3 LEU B 162 8.939 0.026 0.778 1.00 13.91 H new ATOM 0 HG LEU B 162 8.048 -2.706 -0.158 1.00 12.97 H new ATOM 0 HD11 LEU B 162 5.845 -2.343 0.923 1.00 9.03 H new ATOM 0 HD12 LEU B 162 7.136 -2.487 2.139 1.00 9.03 H new ATOM 0 HD13 LEU B 162 6.479 -0.886 1.725 1.00 9.03 H new ATOM 0 HD21 LEU B 162 6.336 -1.323 -1.306 1.00 11.59 H new ATOM 0 HD22 LEU B 162 6.970 0.131 -0.499 1.00 11.59 H new ATOM 0 HD23 LEU B 162 7.977 -0.744 -1.677 1.00 11.59 H new ATOM 493 N LEU B 163 12.504 -1.414 0.969 1.00 17.97 N ATOM 494 CA LEU B 163 13.719 -0.712 1.462 1.00 23.68 C ATOM 495 C LEU B 163 14.867 -0.902 0.467 1.00 29.76 C ATOM 496 O LEU B 163 15.923 -0.319 0.609 1.00 34.43 O ATOM 497 CB LEU B 163 14.119 -1.295 2.818 1.00 20.30 C ATOM 498 CG LEU B 163 13.145 -0.813 3.895 1.00 19.42 C ATOM 499 CD1 LEU B 163 13.637 -1.268 5.269 1.00 19.86 C ATOM 500 CD2 LEU B 163 13.063 0.716 3.865 1.00 19.28 C ATOM 0 H LEU B 163 12.536 -2.432 1.028 1.00 17.97 H new ATOM 0 HA LEU B 163 13.507 0.352 1.565 1.00 23.68 H new ATOM 0 HB2 LEU B 163 14.115 -2.384 2.772 1.00 20.30 H new ATOM 0 HB3 LEU B 163 15.135 -0.990 3.070 1.00 20.30 H new ATOM 0 HG LEU B 163 12.158 -1.234 3.704 1.00 19.42 H new ATOM 0 HD11 LEU B 163 12.943 -0.924 6.036 1.00 19.86 H new ATOM 0 HD12 LEU B 163 13.695 -2.356 5.293 1.00 19.86 H new ATOM 0 HD13 LEU B 163 14.625 -0.848 5.459 1.00 19.86 H new ATOM 0 HD21 LEU B 163 12.369 1.058 4.633 1.00 19.28 H new ATOM 0 HD22 LEU B 163 14.050 1.137 4.055 1.00 19.28 H new ATOM 0 HD23 LEU B 163 12.711 1.042 2.886 1.00 19.28 H new ATOM 512 N ASN B 164 14.672 -1.713 -0.539 1.00 33.44 N ATOM 513 CA ASN B 164 15.754 -1.935 -1.538 1.00 37.75 C ATOM 514 C ASN B 164 16.359 -0.590 -1.941 1.00 40.49 C ATOM 515 O ASN B 164 15.717 0.232 -2.562 1.00 41.14 O ATOM 516 CB ASN B 164 15.173 -2.623 -2.775 1.00 39.08 C ATOM 517 CG ASN B 164 15.869 -3.969 -2.984 1.00 42.87 C ATOM 518 OD1 ASN B 164 17.016 -4.135 -2.619 1.00 47.61 O ATOM 519 ND2 ASN B 164 15.222 -4.944 -3.561 1.00 46.52 N ATOM 0 H ASN B 164 13.810 -2.230 -0.711 1.00 33.44 H new ATOM 0 HA ASN B 164 16.528 -2.566 -1.101 1.00 37.75 H new ATOM 0 HB2 ASN B 164 14.100 -2.772 -2.652 1.00 39.08 H new ATOM 0 HB3 ASN B 164 15.308 -1.991 -3.653 1.00 39.08 H new ATOM 0 HD21 ASN B 164 15.679 -5.844 -3.705 1.00 46.52 H new ATOM 0 HD22 ASN B 164 14.259 -4.806 -3.868 1.00 46.52 H new ATOM 526 N ALA B 165 17.591 -0.360 -1.589 1.00 41.13 N ATOM 527 CA ALA B 165 18.243 0.931 -1.946 1.00 40.91 C ATOM 528 C ALA B 165 18.048 1.215 -3.439 1.00 39.78 C ATOM 529 O ALA B 165 18.123 2.344 -3.880 1.00 42.37 O ATOM 530 CB ALA B 165 19.739 0.848 -1.637 1.00 43.50 C ATOM 0 H ALA B 165 18.178 -1.012 -1.068 1.00 41.13 H new ATOM 0 HA ALA B 165 17.792 1.735 -1.364 1.00 40.91 H new ATOM 0 HB1 ALA B 165 20.217 1.792 -1.898 1.00 43.50 H new ATOM 0 HB2 ALA B 165 19.881 0.651 -0.574 1.00 43.50 H new ATOM 0 HB3 ALA B 165 20.186 0.042 -2.218 1.00 43.50 H new ATOM 536 N GLU B 166 17.804 0.199 -4.223 1.00 36.31 N ATOM 537 CA GLU B 166 17.611 0.415 -5.685 1.00 32.86 C ATOM 538 C GLU B 166 16.130 0.659 -5.984 1.00 28.56 C ATOM 539 O GLU B 166 15.635 0.305 -7.035 1.00 27.16 O ATOM 540 CB GLU B 166 18.082 -0.825 -6.445 1.00 35.96 C ATOM 541 CG GLU B 166 19.611 -0.877 -6.444 1.00 44.79 C ATOM 542 CD GLU B 166 20.081 -2.071 -7.278 1.00 50.54 C ATOM 543 OE1 GLU B 166 19.237 -2.736 -7.853 1.00 52.17 O ATOM 544 OE2 GLU B 166 21.279 -2.298 -7.327 1.00 54.06 O ATOM 0 H GLU B 166 17.730 -0.770 -3.914 1.00 36.31 H new ATOM 0 HA GLU B 166 18.189 1.284 -6.000 1.00 32.86 H new ATOM 0 HB2 GLU B 166 17.677 -1.724 -5.981 1.00 35.96 H new ATOM 0 HB3 GLU B 166 17.710 -0.800 -7.469 1.00 35.96 H new ATOM 0 HG2 GLU B 166 20.017 0.048 -6.853 1.00 44.79 H new ATOM 0 HG3 GLU B 166 19.982 -0.964 -5.423 1.00 44.79 H new ATOM 551 N ASN B 167 15.418 1.260 -5.072 1.00 24.51 N ATOM 552 CA ASN B 167 13.970 1.524 -5.316 1.00 21.82 C ATOM 553 C ASN B 167 13.733 3.038 -5.399 1.00 19.62 C ATOM 554 O ASN B 167 14.306 3.790 -4.636 1.00 20.78 O ATOM 555 CB ASN B 167 13.144 0.943 -4.166 1.00 20.91 C ATOM 556 CG ASN B 167 12.384 -0.292 -4.654 1.00 21.84 C ATOM 557 OD1 ASN B 167 12.405 -0.609 -5.827 1.00 20.75 O ATOM 558 ND2 ASN B 167 11.709 -1.007 -3.798 1.00 24.01 N ATOM 0 H ASN B 167 15.773 1.579 -4.171 1.00 24.51 H new ATOM 0 HA ASN B 167 13.669 1.056 -6.253 1.00 21.82 H new ATOM 0 HB2 ASN B 167 13.796 0.676 -3.335 1.00 20.91 H new ATOM 0 HB3 ASN B 167 12.443 1.690 -3.794 1.00 20.91 H new ATOM 0 HD21 ASN B 167 11.199 -1.832 -4.113 1.00 24.01 H new ATOM 0 HD22 ASN B 167 11.691 -0.741 -2.813 1.00 24.01 H new ATOM 565 N PRO B 168 12.893 3.445 -6.323 1.00 18.42 N ATOM 566 CA PRO B 168 12.566 4.867 -6.521 1.00 16.88 C ATOM 567 C PRO B 168 11.550 5.332 -5.473 1.00 16.36 C ATOM 568 O PRO B 168 10.668 4.595 -5.080 1.00 15.23 O ATOM 569 CB PRO B 168 11.953 4.905 -7.923 1.00 18.00 C ATOM 570 CG PRO B 168 11.443 3.474 -8.214 1.00 17.15 C ATOM 571 CD PRO B 168 12.195 2.533 -7.255 1.00 16.33 C ATOM 0 HA PRO B 168 13.431 5.522 -6.421 1.00 16.88 H new ATOM 0 HB2 PRO B 168 11.137 5.626 -7.971 1.00 18.00 H new ATOM 0 HB3 PRO B 168 12.693 5.212 -8.662 1.00 18.00 H new ATOM 0 HG2 PRO B 168 10.366 3.407 -8.057 1.00 17.15 H new ATOM 0 HG3 PRO B 168 11.631 3.200 -9.252 1.00 17.15 H new ATOM 0 HD2 PRO B 168 11.508 1.872 -6.726 1.00 16.33 H new ATOM 0 HD3 PRO B 168 12.899 1.897 -7.792 1.00 16.33 H new ATOM 579 N ARG B 169 11.664 6.550 -5.019 1.00 16.48 N ATOM 580 CA ARG B 169 10.703 7.059 -3.999 1.00 15.86 C ATOM 581 C ARG B 169 9.285 7.010 -4.571 1.00 13.88 C ATOM 582 O ARG B 169 8.931 7.778 -5.445 1.00 15.48 O ATOM 583 CB ARG B 169 11.058 8.502 -3.636 1.00 15.75 C ATOM 584 CG ARG B 169 10.780 8.738 -2.151 1.00 19.73 C ATOM 585 CD ARG B 169 10.581 10.234 -1.899 1.00 22.87 C ATOM 586 NE ARG B 169 11.678 11.000 -2.555 1.00 21.47 N ATOM 587 CZ ARG B 169 11.646 12.304 -2.570 1.00 20.61 C ATOM 588 NH1 ARG B 169 11.780 12.972 -1.457 1.00 22.31 N ATOM 589 NH2 ARG B 169 11.478 12.941 -3.696 1.00 23.69 N ATOM 0 H ARG B 169 12.381 7.215 -5.310 1.00 16.48 H new ATOM 0 HA ARG B 169 10.758 6.438 -3.105 1.00 15.86 H new ATOM 0 HB2 ARG B 169 12.108 8.696 -3.855 1.00 15.75 H new ATOM 0 HB3 ARG B 169 10.473 9.195 -4.241 1.00 15.75 H new ATOM 0 HG2 ARG B 169 9.892 8.186 -1.844 1.00 19.73 H new ATOM 0 HG3 ARG B 169 11.610 8.365 -1.551 1.00 19.73 H new ATOM 0 HD2 ARG B 169 9.615 10.554 -2.290 1.00 22.87 H new ATOM 0 HD3 ARG B 169 10.573 10.435 -0.828 1.00 22.87 H new ATOM 0 HE ARG B 169 12.455 10.504 -2.993 1.00 21.47 H new ATOM 0 HH11 ARG B 169 11.910 12.474 -0.576 1.00 22.31 H new ATOM 0 HH12 ARG B 169 11.755 13.992 -1.468 1.00 22.31 H new ATOM 0 HH21 ARG B 169 11.371 12.419 -4.566 1.00 23.69 H new ATOM 0 HH22 ARG B 169 11.453 13.961 -3.706 1.00 23.69 H new ATOM 603 N GLY B 170 8.469 6.114 -4.088 1.00 11.61 N ATOM 604 CA GLY B 170 7.075 6.019 -4.607 1.00 10.78 C ATOM 605 C GLY B 170 6.708 4.552 -4.848 1.00 11.90 C ATOM 606 O GLY B 170 5.585 4.233 -5.187 1.00 11.93 O ATOM 0 H GLY B 170 8.707 5.444 -3.357 1.00 11.61 H new ATOM 0 HA2 GLY B 170 6.381 6.464 -3.894 1.00 10.78 H new ATOM 0 HA3 GLY B 170 6.984 6.583 -5.535 1.00 10.78 H new ATOM 610 N THR B 171 7.643 3.654 -4.681 1.00 11.18 N ATOM 611 CA THR B 171 7.337 2.212 -4.903 1.00 10.98 C ATOM 612 C THR B 171 6.375 1.724 -3.817 1.00 10.39 C ATOM 613 O THR B 171 6.468 2.114 -2.671 1.00 11.11 O ATOM 614 CB THR B 171 8.633 1.401 -4.839 1.00 12.81 C ATOM 615 OG1 THR B 171 9.477 1.776 -5.918 1.00 15.73 O ATOM 616 CG2 THR B 171 8.308 -0.091 -4.935 1.00 10.54 C ATOM 0 H THR B 171 8.603 3.857 -4.401 1.00 11.18 H new ATOM 0 HA THR B 171 6.876 2.083 -5.882 1.00 10.98 H new ATOM 0 HB THR B 171 9.141 1.599 -3.895 1.00 12.81 H new ATOM 0 HG1 THR B 171 9.807 2.687 -5.774 1.00 15.73 H new ATOM 0 HG21 THR B 171 9.231 -0.668 -4.889 1.00 10.54 H new ATOM 0 HG22 THR B 171 7.660 -0.376 -4.106 1.00 10.54 H new ATOM 0 HG23 THR B 171 7.800 -0.293 -5.878 1.00 10.54 H new ATOM 624 N PHE B 172 5.449 0.874 -4.168 1.00 9.86 N ATOM 625 CA PHE B 172 4.482 0.366 -3.154 1.00 10.31 C ATOM 626 C PHE B 172 4.170 -1.106 -3.434 1.00 9.74 C ATOM 627 O PHE B 172 4.647 -1.681 -4.392 1.00 10.89 O ATOM 628 CB PHE B 172 3.190 1.182 -3.229 1.00 8.42 C ATOM 629 CG PHE B 172 2.639 1.120 -4.633 1.00 10.33 C ATOM 630 CD1 PHE B 172 3.027 2.079 -5.583 1.00 10.22 C ATOM 631 CD2 PHE B 172 1.739 0.101 -4.990 1.00 9.32 C ATOM 632 CE1 PHE B 172 2.515 2.020 -6.891 1.00 9.66 C ATOM 633 CE2 PHE B 172 1.227 0.043 -6.298 1.00 10.82 C ATOM 634 CZ PHE B 172 1.615 1.002 -7.248 1.00 11.64 C ATOM 0 H PHE B 172 5.320 0.510 -5.112 1.00 9.86 H new ATOM 0 HA PHE B 172 4.918 0.461 -2.159 1.00 10.31 H new ATOM 0 HB2 PHE B 172 2.458 0.791 -2.522 1.00 8.42 H new ATOM 0 HB3 PHE B 172 3.384 2.217 -2.948 1.00 8.42 H new ATOM 0 HD1 PHE B 172 3.719 2.862 -5.309 1.00 10.22 H new ATOM 0 HD2 PHE B 172 1.441 -0.637 -4.260 1.00 9.32 H new ATOM 0 HE1 PHE B 172 2.814 2.757 -7.621 1.00 9.66 H new ATOM 0 HE2 PHE B 172 0.535 -0.739 -6.572 1.00 10.82 H new ATOM 0 HZ PHE B 172 1.222 0.957 -8.253 1.00 11.64 H new ATOM 644 N LEU B 173 3.369 -1.718 -2.604 1.00 8.06 N ATOM 645 CA LEU B 173 3.023 -3.151 -2.821 1.00 6.70 C ATOM 646 C LEU B 173 1.885 -3.549 -1.878 1.00 8.22 C ATOM 647 O LEU B 173 1.929 -3.285 -0.694 1.00 8.04 O ATOM 648 CB LEU B 173 4.249 -4.023 -2.537 1.00 7.47 C ATOM 649 CG LEU B 173 4.563 -3.996 -1.039 1.00 8.31 C ATOM 650 CD1 LEU B 173 3.943 -5.222 -0.365 1.00 7.11 C ATOM 651 CD2 LEU B 173 6.080 -4.019 -0.837 1.00 7.67 C ATOM 0 H LEU B 173 2.940 -1.287 -1.785 1.00 8.06 H new ATOM 0 HA LEU B 173 2.707 -3.295 -3.854 1.00 6.70 H new ATOM 0 HB2 LEU B 173 4.063 -5.047 -2.861 1.00 7.47 H new ATOM 0 HB3 LEU B 173 5.106 -3.660 -3.105 1.00 7.47 H new ATOM 0 HG LEU B 173 4.149 -3.090 -0.597 1.00 8.31 H new ATOM 0 HD11 LEU B 173 4.167 -5.203 0.702 1.00 7.11 H new ATOM 0 HD12 LEU B 173 2.863 -5.209 -0.510 1.00 7.11 H new ATOM 0 HD13 LEU B 173 4.357 -6.128 -0.806 1.00 7.11 H new ATOM 0 HD21 LEU B 173 6.305 -4.000 0.229 1.00 7.67 H new ATOM 0 HD22 LEU B 173 6.492 -4.926 -1.279 1.00 7.67 H new ATOM 0 HD23 LEU B 173 6.524 -3.147 -1.317 1.00 7.67 H new ATOM 663 N VAL B 174 0.867 -4.183 -2.392 1.00 9.95 N ATOM 664 CA VAL B 174 -0.268 -4.595 -1.519 1.00 10.61 C ATOM 665 C VAL B 174 -0.156 -6.088 -1.207 1.00 10.97 C ATOM 666 O VAL B 174 0.143 -6.891 -2.067 1.00 13.68 O ATOM 667 CB VAL B 174 -1.589 -4.322 -2.239 1.00 8.85 C ATOM 668 CG1 VAL B 174 -2.752 -4.518 -1.264 1.00 7.48 C ATOM 669 CG2 VAL B 174 -1.598 -2.881 -2.757 1.00 7.46 C ATOM 0 H VAL B 174 0.772 -4.433 -3.376 1.00 9.95 H new ATOM 0 HA VAL B 174 -0.236 -4.027 -0.589 1.00 10.61 H new ATOM 0 HB VAL B 174 -1.696 -5.012 -3.076 1.00 8.85 H new ATOM 0 HG11 VAL B 174 -3.694 -4.323 -1.777 1.00 7.48 H new ATOM 0 HG12 VAL B 174 -2.746 -5.543 -0.892 1.00 7.48 H new ATOM 0 HG13 VAL B 174 -2.645 -3.828 -0.427 1.00 7.48 H new ATOM 0 HG21 VAL B 174 -2.539 -2.685 -3.271 1.00 7.46 H new ATOM 0 HG22 VAL B 174 -1.492 -2.192 -1.919 1.00 7.46 H new ATOM 0 HG23 VAL B 174 -0.770 -2.739 -3.451 1.00 7.46 H new ATOM 679 N ARG B 175 -0.392 -6.467 0.020 1.00 12.04 N ATOM 680 CA ARG B 175 -0.299 -7.907 0.387 1.00 13.07 C ATOM 681 C ARG B 175 -1.281 -8.211 1.519 1.00 15.49 C ATOM 682 O ARG B 175 -1.777 -7.319 2.180 1.00 11.34 O ATOM 683 CB ARG B 175 1.125 -8.225 0.847 1.00 10.24 C ATOM 684 CG ARG B 175 1.609 -7.133 1.803 1.00 10.97 C ATOM 685 CD ARG B 175 2.028 -7.766 3.131 1.00 8.81 C ATOM 686 NE ARG B 175 3.039 -6.898 3.798 1.00 7.82 N ATOM 687 CZ ARG B 175 2.824 -6.457 5.007 1.00 8.03 C ATOM 688 NH1 ARG B 175 2.259 -7.230 5.894 1.00 11.06 N ATOM 689 NH2 ARG B 175 3.173 -5.241 5.329 1.00 7.60 N ATOM 0 H ARG B 175 -0.645 -5.840 0.784 1.00 12.04 H new ATOM 0 HA ARG B 175 -0.546 -8.519 -0.481 1.00 13.07 H new ATOM 0 HB2 ARG B 175 1.150 -9.195 1.344 1.00 10.24 H new ATOM 0 HB3 ARG B 175 1.790 -8.290 -0.014 1.00 10.24 H new ATOM 0 HG2 ARG B 175 2.449 -6.596 1.363 1.00 10.97 H new ATOM 0 HG3 ARG B 175 0.816 -6.403 1.970 1.00 10.97 H new ATOM 0 HD2 ARG B 175 1.159 -7.892 3.776 1.00 8.81 H new ATOM 0 HD3 ARG B 175 2.443 -8.759 2.958 1.00 8.81 H new ATOM 0 HE ARG B 175 3.899 -6.649 3.309 1.00 7.82 H new ATOM 0 HH11 ARG B 175 1.985 -8.180 5.642 1.00 11.06 H new ATOM 0 HH12 ARG B 175 2.091 -6.884 6.839 1.00 11.06 H new ATOM 0 HH21 ARG B 175 3.613 -4.636 4.636 1.00 7.60 H new ATOM 0 HH22 ARG B 175 3.005 -4.896 6.274 1.00 7.60 H new ATOM 703 N GLU B 176 -1.567 -9.462 1.749 1.00 20.91 N ATOM 704 CA GLU B 176 -2.518 -9.822 2.839 1.00 26.31 C ATOM 705 C GLU B 176 -1.928 -9.405 4.188 1.00 29.76 C ATOM 706 O GLU B 176 -0.853 -9.828 4.563 1.00 30.61 O ATOM 707 CB GLU B 176 -2.757 -11.332 2.831 1.00 25.39 C ATOM 708 CG GLU B 176 -3.480 -11.729 1.542 1.00 29.84 C ATOM 709 CD GLU B 176 -3.680 -13.245 1.513 1.00 32.50 C ATOM 710 OE1 GLU B 176 -2.927 -13.934 2.180 1.00 36.79 O ATOM 711 OE2 GLU B 176 -4.583 -13.690 0.824 1.00 34.32 O ATOM 0 H GLU B 176 -1.183 -10.252 1.229 1.00 20.91 H new ATOM 0 HA GLU B 176 -3.464 -9.305 2.681 1.00 26.31 H new ATOM 0 HB2 GLU B 176 -1.807 -11.861 2.905 1.00 25.39 H new ATOM 0 HB3 GLU B 176 -3.352 -11.621 3.698 1.00 25.39 H new ATOM 0 HG2 GLU B 176 -4.444 -11.224 1.483 1.00 29.84 H new ATOM 0 HG3 GLU B 176 -2.900 -11.412 0.675 1.00 29.84 H new ATOM 718 N SER B 177 -2.623 -8.579 4.920 1.00 36.14 N ATOM 719 CA SER B 177 -2.102 -8.136 6.244 1.00 41.98 C ATOM 720 C SER B 177 -1.995 -9.342 7.179 1.00 43.00 C ATOM 721 O SER B 177 -2.984 -9.945 7.546 1.00 43.66 O ATOM 722 CB SER B 177 -3.056 -7.106 6.848 1.00 45.78 C ATOM 723 OG SER B 177 -2.735 -5.816 6.343 1.00 51.84 O ATOM 0 H SER B 177 -3.530 -8.191 4.659 1.00 36.14 H new ATOM 0 HA SER B 177 -1.117 -7.687 6.115 1.00 41.98 H new ATOM 0 HB2 SER B 177 -4.087 -7.360 6.601 1.00 45.78 H new ATOM 0 HB3 SER B 177 -2.977 -7.114 7.935 1.00 45.78 H new ATOM 0 HG SER B 177 -1.944 -5.877 5.768 1.00 51.84 H new ATOM 729 N GLU B 178 -0.802 -9.699 7.568 1.00 23.97 N ATOM 730 CA GLU B 178 -0.634 -10.865 8.480 1.00 25.52 C ATOM 731 C GLU B 178 -1.284 -10.554 9.829 1.00 30.02 C ATOM 732 O GLU B 178 -1.865 -11.413 10.463 1.00 31.55 O ATOM 733 CB GLU B 178 0.856 -11.143 8.685 1.00 23.29 C ATOM 734 CG GLU B 178 1.430 -11.804 7.430 1.00 29.79 C ATOM 735 CD GLU B 178 1.590 -13.306 7.671 1.00 33.17 C ATOM 736 OE1 GLU B 178 0.634 -14.027 7.441 1.00 21.15 O ATOM 737 OE2 GLU B 178 2.667 -13.708 8.081 1.00 39.84 O ATOM 0 H GLU B 178 0.063 -9.234 7.294 1.00 23.97 H new ATOM 0 HA GLU B 178 -1.110 -11.741 8.040 1.00 25.52 H new ATOM 0 HB2 GLU B 178 1.385 -10.213 8.893 1.00 23.29 H new ATOM 0 HB3 GLU B 178 1.000 -11.792 9.549 1.00 23.29 H new ATOM 0 HG2 GLU B 178 0.770 -11.630 6.580 1.00 29.79 H new ATOM 0 HG3 GLU B 178 2.394 -11.360 7.181 1.00 29.79 H new ATOM 744 N THR B 179 -1.190 -9.330 10.273 1.00 26.98 N ATOM 745 CA THR B 179 -1.802 -8.962 11.580 1.00 31.67 C ATOM 746 C THR B 179 -3.306 -8.744 11.397 1.00 34.54 C ATOM 747 O THR B 179 -4.089 -8.959 12.301 1.00 34.85 O ATOM 748 CB THR B 179 -1.157 -7.675 12.096 1.00 26.17 C ATOM 749 OG1 THR B 179 -1.759 -6.558 11.458 1.00 28.58 O ATOM 750 CG2 THR B 179 0.341 -7.694 11.789 1.00 35.55 C ATOM 0 H THR B 179 -0.716 -8.569 9.786 1.00 26.98 H new ATOM 0 HA THR B 179 -1.639 -9.765 12.299 1.00 31.67 H new ATOM 0 HB THR B 179 -1.303 -7.601 13.174 1.00 26.17 H new ATOM 0 HG1 THR B 179 -1.348 -5.732 11.789 1.00 28.58 H new ATOM 0 HG21 THR B 179 0.800 -6.776 12.157 1.00 35.55 H new ATOM 0 HG22 THR B 179 0.802 -8.552 12.279 1.00 35.55 H new ATOM 0 HG23 THR B 179 0.491 -7.768 10.712 1.00 35.55 H new ATOM 758 N THR B 180 -3.715 -8.317 10.233 1.00 27.03 N ATOM 759 CA THR B 180 -5.167 -8.085 9.992 1.00 25.08 C ATOM 760 C THR B 180 -5.788 -9.343 9.380 1.00 30.09 C ATOM 761 O THR B 180 -5.103 -10.168 8.808 1.00 30.04 O ATOM 762 CB THR B 180 -5.343 -6.908 9.032 1.00 29.37 C ATOM 763 OG1 THR B 180 -4.274 -5.989 9.213 1.00 38.10 O ATOM 764 CG2 THR B 180 -6.673 -6.207 9.315 1.00 40.88 C ATOM 0 H THR B 180 -3.106 -8.119 9.439 1.00 27.03 H new ATOM 0 HA THR B 180 -5.662 -7.858 10.936 1.00 25.08 H new ATOM 0 HB THR B 180 -5.341 -7.274 8.005 1.00 29.37 H new ATOM 0 HG1 THR B 180 -4.384 -5.234 8.597 1.00 38.10 H new ATOM 0 HG21 THR B 180 -6.796 -5.369 8.629 1.00 40.88 H new ATOM 0 HG22 THR B 180 -7.493 -6.912 9.176 1.00 40.88 H new ATOM 0 HG23 THR B 180 -6.680 -5.840 10.341 1.00 40.88 H new ATOM 772 N LYS B 181 -7.079 -9.495 9.493 1.00 32.42 N ATOM 773 CA LYS B 181 -7.740 -10.700 8.916 1.00 38.97 C ATOM 774 C LYS B 181 -8.863 -10.266 7.972 1.00 35.28 C ATOM 775 O LYS B 181 -9.774 -9.562 8.359 1.00 34.92 O ATOM 776 CB LYS B 181 -8.326 -11.550 10.046 1.00 51.02 C ATOM 777 CG LYS B 181 -7.190 -12.163 10.867 1.00 72.35 C ATOM 778 CD LYS B 181 -7.549 -12.110 12.353 1.00 84.05 C ATOM 779 CE LYS B 181 -7.098 -10.773 12.941 1.00 88.20 C ATOM 780 NZ LYS B 181 -7.343 -10.768 14.411 1.00 87.98 N ATOM 0 H LYS B 181 -7.704 -8.838 9.959 1.00 32.42 H new ATOM 0 HA LYS B 181 -7.006 -11.285 8.362 1.00 38.97 H new ATOM 0 HB2 LYS B 181 -8.960 -10.936 10.685 1.00 51.02 H new ATOM 0 HB3 LYS B 181 -8.956 -12.338 9.633 1.00 51.02 H new ATOM 0 HG2 LYS B 181 -7.020 -13.195 10.559 1.00 72.35 H new ATOM 0 HG3 LYS B 181 -6.262 -11.620 10.686 1.00 72.35 H new ATOM 0 HD2 LYS B 181 -8.624 -12.232 12.482 1.00 84.05 H new ATOM 0 HD3 LYS B 181 -7.069 -12.933 12.883 1.00 84.05 H new ATOM 0 HE2 LYS B 181 -6.039 -10.613 12.738 1.00 88.20 H new ATOM 0 HE3 LYS B 181 -7.641 -9.954 12.468 1.00 88.20 H new ATOM 0 HZ1 LYS B 181 -7.036 -9.858 14.811 1.00 87.98 H new ATOM 0 HZ2 LYS B 181 -8.358 -10.902 14.594 1.00 87.98 H new ATOM 0 HZ3 LYS B 181 -6.806 -11.540 14.855 1.00 87.98 H new ATOM 794 N GLY B 182 -8.805 -10.681 6.736 1.00 38.03 N ATOM 795 CA GLY B 182 -9.870 -10.294 5.769 1.00 30.70 C ATOM 796 C GLY B 182 -9.566 -8.907 5.199 1.00 29.58 C ATOM 797 O GLY B 182 -10.434 -8.238 4.673 1.00 31.67 O ATOM 0 H GLY B 182 -8.066 -11.271 6.354 1.00 38.03 H new ATOM 0 HA2 GLY B 182 -9.926 -11.025 4.963 1.00 30.70 H new ATOM 0 HA3 GLY B 182 -10.841 -10.290 6.264 1.00 30.70 H new ATOM 801 N ALA B 183 -8.341 -8.469 5.298 1.00 35.86 N ATOM 802 CA ALA B 183 -7.985 -7.126 4.760 1.00 32.70 C ATOM 803 C ALA B 183 -6.524 -7.127 4.308 1.00 28.65 C ATOM 804 O ALA B 183 -5.680 -7.765 4.905 1.00 29.39 O ATOM 805 CB ALA B 183 -8.180 -6.072 5.852 1.00 31.44 C ATOM 0 H ALA B 183 -7.572 -8.983 5.728 1.00 35.86 H new ATOM 0 HA ALA B 183 -8.627 -6.894 3.910 1.00 32.70 H new ATOM 0 HB1 ALA B 183 -7.920 -5.089 5.459 1.00 31.44 H new ATOM 0 HB2 ALA B 183 -9.221 -6.070 6.174 1.00 31.44 H new ATOM 0 HB3 ALA B 183 -7.538 -6.305 6.701 1.00 31.44 H new ATOM 811 N TYR B 184 -6.219 -6.417 3.256 1.00 24.43 N ATOM 812 CA TYR B 184 -4.813 -6.378 2.767 1.00 19.69 C ATOM 813 C TYR B 184 -4.125 -5.118 3.297 1.00 15.67 C ATOM 814 O TYR B 184 -4.633 -4.446 4.173 1.00 11.54 O ATOM 815 CB TYR B 184 -4.808 -6.359 1.236 1.00 20.89 C ATOM 816 CG TYR B 184 -5.722 -7.444 0.718 1.00 21.46 C ATOM 817 CD1 TYR B 184 -7.111 -7.236 0.686 1.00 23.38 C ATOM 818 CD2 TYR B 184 -5.184 -8.661 0.268 1.00 21.81 C ATOM 819 CE1 TYR B 184 -7.962 -8.245 0.205 1.00 24.77 C ATOM 820 CE2 TYR B 184 -6.035 -9.670 -0.213 1.00 21.77 C ATOM 821 CZ TYR B 184 -7.424 -9.462 -0.245 1.00 25.72 C ATOM 822 OH TYR B 184 -8.260 -10.453 -0.717 1.00 27.17 O ATOM 0 H TYR B 184 -6.883 -5.863 2.715 1.00 24.43 H new ATOM 0 HA TYR B 184 -4.278 -7.259 3.121 1.00 19.69 H new ATOM 0 HB2 TYR B 184 -5.138 -5.386 0.872 1.00 20.89 H new ATOM 0 HB3 TYR B 184 -3.795 -6.512 0.863 1.00 20.89 H new ATOM 0 HD1 TYR B 184 -7.525 -6.300 1.031 1.00 23.38 H new ATOM 0 HD2 TYR B 184 -4.116 -8.821 0.292 1.00 21.81 H new ATOM 0 HE1 TYR B 184 -9.030 -8.085 0.181 1.00 24.77 H new ATOM 0 HE2 TYR B 184 -5.621 -10.606 -0.558 1.00 21.77 H new ATOM 0 HH TYR B 184 -7.727 -11.229 -0.989 1.00 27.17 H new ATOM 832 N CYS B 185 -2.973 -4.792 2.778 1.00 12.49 N ATOM 833 CA CYS B 185 -2.259 -3.576 3.261 1.00 13.07 C ATOM 834 C CYS B 185 -1.371 -3.021 2.145 1.00 11.90 C ATOM 835 O CYS B 185 -0.504 -3.700 1.632 1.00 11.52 O ATOM 836 CB CYS B 185 -1.393 -3.940 4.468 1.00 13.05 C ATOM 837 SG CYS B 185 -0.504 -5.480 4.130 1.00 27.90 S ATOM 0 H CYS B 185 -2.496 -5.313 2.042 1.00 12.49 H new ATOM 0 HA CYS B 185 -2.989 -2.820 3.550 1.00 13.07 H new ATOM 0 HB2 CYS B 185 -0.686 -3.137 4.677 1.00 13.05 H new ATOM 0 HB3 CYS B 185 -2.016 -4.054 5.355 1.00 13.05 H new ATOM 0 HG CYS B 185 -0.999 -6.043 3.068 1.00 27.90 H new ATOM 843 N LEU B 186 -1.579 -1.788 1.771 1.00 10.41 N ATOM 844 CA LEU B 186 -0.745 -1.184 0.694 1.00 10.82 C ATOM 845 C LEU B 186 0.392 -0.381 1.328 1.00 10.91 C ATOM 846 O LEU B 186 0.169 0.604 2.003 1.00 11.30 O ATOM 847 CB LEU B 186 -1.612 -0.256 -0.161 1.00 8.57 C ATOM 848 CG LEU B 186 -0.723 0.522 -1.133 1.00 8.23 C ATOM 849 CD1 LEU B 186 -0.161 -0.432 -2.187 1.00 10.17 C ATOM 850 CD2 LEU B 186 -1.553 1.609 -1.821 1.00 8.76 C ATOM 0 H LEU B 186 -2.291 -1.173 2.165 1.00 10.41 H new ATOM 0 HA LEU B 186 -0.330 -1.972 0.066 1.00 10.82 H new ATOM 0 HB2 LEU B 186 -2.351 -0.837 -0.713 1.00 8.57 H new ATOM 0 HB3 LEU B 186 -2.163 0.435 0.477 1.00 8.57 H new ATOM 0 HG LEU B 186 0.099 0.982 -0.585 1.00 8.23 H new ATOM 0 HD11 LEU B 186 0.472 0.123 -2.879 1.00 10.17 H new ATOM 0 HD12 LEU B 186 0.428 -1.208 -1.698 1.00 10.17 H new ATOM 0 HD13 LEU B 186 -0.982 -0.892 -2.736 1.00 10.17 H new ATOM 0 HD21 LEU B 186 -0.922 2.165 -2.514 1.00 8.76 H new ATOM 0 HD22 LEU B 186 -2.375 1.147 -2.369 1.00 8.76 H new ATOM 0 HD23 LEU B 186 -1.955 2.290 -1.070 1.00 8.76 H new ATOM 862 N SER B 187 1.612 -0.796 1.122 1.00 10.50 N ATOM 863 CA SER B 187 2.760 -0.060 1.720 1.00 9.18 C ATOM 864 C SER B 187 3.403 0.842 0.663 1.00 8.50 C ATOM 865 O SER B 187 3.224 0.653 -0.523 1.00 9.53 O ATOM 866 CB SER B 187 3.796 -1.061 2.231 1.00 7.49 C ATOM 867 OG SER B 187 3.376 -1.569 3.490 1.00 5.18 O ATOM 0 H SER B 187 1.863 -1.613 0.565 1.00 10.50 H new ATOM 0 HA SER B 187 2.403 0.552 2.548 1.00 9.18 H new ATOM 0 HB2 SER B 187 3.913 -1.877 1.518 1.00 7.49 H new ATOM 0 HB3 SER B 187 4.769 -0.579 2.327 1.00 7.49 H new ATOM 0 HG SER B 187 3.267 -2.541 3.431 1.00 5.18 H new ATOM 873 N VAL B 188 4.153 1.821 1.091 1.00 11.78 N ATOM 874 CA VAL B 188 4.814 2.740 0.122 1.00 12.79 C ATOM 875 C VAL B 188 6.277 2.931 0.528 1.00 14.65 C ATOM 876 O VAL B 188 6.667 2.629 1.639 1.00 14.43 O ATOM 877 CB VAL B 188 4.099 4.093 0.132 1.00 12.22 C ATOM 878 CG1 VAL B 188 4.732 5.012 -0.914 1.00 11.34 C ATOM 879 CG2 VAL B 188 2.619 3.890 -0.198 1.00 12.23 C ATOM 0 H VAL B 188 4.337 2.024 2.074 1.00 11.78 H new ATOM 0 HA VAL B 188 4.765 2.314 -0.880 1.00 12.79 H new ATOM 0 HB VAL B 188 4.193 4.546 1.119 1.00 12.22 H new ATOM 0 HG11 VAL B 188 4.223 5.976 -0.907 1.00 11.34 H new ATOM 0 HG12 VAL B 188 5.787 5.157 -0.680 1.00 11.34 H new ATOM 0 HG13 VAL B 188 4.638 4.559 -1.901 1.00 11.34 H new ATOM 0 HG21 VAL B 188 2.109 4.853 -0.191 1.00 12.23 H new ATOM 0 HG22 VAL B 188 2.525 3.437 -1.185 1.00 12.23 H new ATOM 0 HG23 VAL B 188 2.167 3.235 0.547 1.00 12.23 H new ATOM 889 N SER B 189 7.089 3.430 -0.363 1.00 14.39 N ATOM 890 CA SER B 189 8.526 3.636 -0.026 1.00 13.97 C ATOM 891 C SER B 189 8.825 5.135 0.052 1.00 14.32 C ATOM 892 O SER B 189 8.221 5.935 -0.635 1.00 13.16 O ATOM 893 CB SER B 189 9.398 2.999 -1.109 1.00 12.52 C ATOM 894 OG SER B 189 8.705 3.036 -2.350 1.00 13.11 O ATOM 0 H SER B 189 6.820 3.704 -1.308 1.00 14.39 H new ATOM 0 HA SER B 189 8.743 3.173 0.937 1.00 13.97 H new ATOM 0 HB2 SER B 189 10.344 3.533 -1.191 1.00 12.52 H new ATOM 0 HB3 SER B 189 9.636 1.969 -0.842 1.00 12.52 H new ATOM 0 HG SER B 189 7.978 2.379 -2.338 1.00 13.11 H new ATOM 900 N ASP B 190 9.754 5.520 0.883 1.00 17.22 N ATOM 901 CA ASP B 190 10.093 6.967 1.003 1.00 20.71 C ATOM 902 C ASP B 190 11.613 7.134 1.020 1.00 19.82 C ATOM 903 O ASP B 190 12.342 6.239 1.403 1.00 20.14 O ATOM 904 CB ASP B 190 9.502 7.522 2.301 1.00 25.05 C ATOM 905 CG ASP B 190 9.428 9.048 2.216 1.00 26.93 C ATOM 906 OD1 ASP B 190 8.880 9.541 1.244 1.00 30.74 O ATOM 907 OD2 ASP B 190 9.918 9.697 3.125 1.00 31.13 O ATOM 0 H ASP B 190 10.293 4.896 1.484 1.00 17.22 H new ATOM 0 HA ASP B 190 9.678 7.511 0.154 1.00 20.71 H new ATOM 0 HB2 ASP B 190 8.508 7.108 2.467 1.00 25.05 H new ATOM 0 HB3 ASP B 190 10.117 7.224 3.150 1.00 25.05 H new ATOM 912 N PHE B 191 12.099 8.272 0.607 1.00 21.67 N ATOM 913 CA PHE B 191 13.573 8.494 0.598 1.00 24.27 C ATOM 914 C PHE B 191 13.871 9.938 1.008 1.00 28.02 C ATOM 915 O PHE B 191 13.037 10.813 0.887 1.00 25.66 O ATOM 916 CB PHE B 191 14.118 8.239 -0.810 1.00 23.13 C ATOM 917 CG PHE B 191 15.574 8.632 -0.868 1.00 21.13 C ATOM 918 CD1 PHE B 191 16.517 7.955 -0.076 1.00 20.50 C ATOM 919 CD2 PHE B 191 15.987 9.675 -1.714 1.00 18.20 C ATOM 920 CE1 PHE B 191 17.873 8.321 -0.131 1.00 19.46 C ATOM 921 CE2 PHE B 191 17.343 10.040 -1.769 1.00 16.51 C ATOM 922 CZ PHE B 191 18.286 9.363 -0.977 1.00 17.79 C ATOM 0 H PHE B 191 11.540 9.058 0.275 1.00 21.67 H new ATOM 0 HA PHE B 191 14.050 7.811 1.301 1.00 24.27 H new ATOM 0 HB2 PHE B 191 14.004 7.187 -1.070 1.00 23.13 H new ATOM 0 HB3 PHE B 191 13.547 8.811 -1.541 1.00 23.13 H new ATOM 0 HD1 PHE B 191 16.200 7.154 0.575 1.00 20.50 H new ATOM 0 HD2 PHE B 191 15.262 10.196 -2.322 1.00 18.20 H new ATOM 0 HE1 PHE B 191 18.598 7.801 0.478 1.00 19.46 H new ATOM 0 HE2 PHE B 191 17.660 10.841 -2.420 1.00 16.51 H new ATOM 0 HZ PHE B 191 19.328 9.644 -1.019 1.00 17.79 H new ATOM 932 N ASP B 192 15.054 10.195 1.495 1.00 32.66 N ATOM 933 CA ASP B 192 15.403 11.582 1.913 1.00 38.82 C ATOM 934 C ASP B 192 16.744 11.981 1.294 1.00 41.14 C ATOM 935 O ASP B 192 17.553 11.143 0.949 1.00 38.49 O ATOM 936 CB ASP B 192 15.506 11.645 3.438 1.00 42.78 C ATOM 937 CG ASP B 192 14.105 11.756 4.042 1.00 45.03 C ATOM 938 OD1 ASP B 192 13.499 10.724 4.276 1.00 46.40 O ATOM 939 OD2 ASP B 192 13.662 12.872 4.259 1.00 49.15 O ATOM 0 H ASP B 192 15.794 9.504 1.621 1.00 32.66 H new ATOM 0 HA ASP B 192 14.628 12.269 1.573 1.00 38.82 H new ATOM 0 HB2 ASP B 192 16.007 10.754 3.816 1.00 42.78 H new ATOM 0 HB3 ASP B 192 16.111 12.501 3.737 1.00 42.78 H new ATOM 944 N ASN B 193 16.986 13.255 1.153 1.00 45.91 N ATOM 945 CA ASN B 193 18.274 13.707 0.557 1.00 50.53 C ATOM 946 C ASN B 193 19.406 13.478 1.560 1.00 51.37 C ATOM 947 O ASN B 193 20.571 13.489 1.210 1.00 52.38 O ATOM 948 CB ASN B 193 18.184 15.197 0.220 1.00 54.84 C ATOM 949 CG ASN B 193 19.235 15.546 -0.836 1.00 60.46 C ATOM 950 OD1 ASN B 193 19.751 14.675 -1.507 1.00 63.78 O ATOM 951 ND2 ASN B 193 19.576 16.794 -1.013 1.00 62.09 N ATOM 0 H ASN B 193 16.347 14.002 1.425 1.00 45.91 H new ATOM 0 HA ASN B 193 18.474 13.140 -0.353 1.00 50.53 H new ATOM 0 HB2 ASN B 193 17.187 15.437 -0.150 1.00 54.84 H new ATOM 0 HB3 ASN B 193 18.343 15.794 1.118 1.00 54.84 H new ATOM 0 HD21 ASN B 193 20.275 17.037 -1.715 1.00 62.09 H new ATOM 0 HD22 ASN B 193 19.143 17.526 -0.450 1.00 62.09 H new ATOM 958 N ALA B 194 19.077 13.272 2.806 1.00 51.03 N ATOM 959 CA ALA B 194 20.137 13.043 3.828 1.00 49.87 C ATOM 960 C ALA B 194 19.532 12.339 5.045 1.00 48.78 C ATOM 961 O ALA B 194 19.849 12.651 6.175 1.00 50.16 O ATOM 962 CB ALA B 194 20.727 14.387 4.258 1.00 50.70 C ATOM 0 H ALA B 194 18.121 13.252 3.160 1.00 51.03 H new ATOM 0 HA ALA B 194 20.923 12.419 3.402 1.00 49.87 H new ATOM 0 HB1 ALA B 194 21.503 14.221 5.006 1.00 50.70 H new ATOM 0 HB2 ALA B 194 21.159 14.889 3.392 1.00 50.70 H new ATOM 0 HB3 ALA B 194 19.940 15.010 4.683 1.00 50.70 H new ATOM 968 N LYS B 195 18.665 11.390 4.824 1.00 45.35 N ATOM 969 CA LYS B 195 18.043 10.667 5.969 1.00 41.76 C ATOM 970 C LYS B 195 17.748 9.222 5.563 1.00 38.59 C ATOM 971 O LYS B 195 16.981 8.531 6.203 1.00 39.85 O ATOM 972 CB LYS B 195 16.739 11.364 6.364 1.00 42.95 C ATOM 973 CG LYS B 195 16.925 12.879 6.279 1.00 45.27 C ATOM 974 CD LYS B 195 15.720 13.578 6.910 1.00 47.56 C ATOM 975 CE LYS B 195 16.191 14.817 7.674 1.00 50.16 C ATOM 976 NZ LYS B 195 15.889 14.652 9.124 1.00 50.69 N ATOM 0 H LYS B 195 18.360 11.084 3.900 1.00 45.35 H new ATOM 0 HA LYS B 195 18.729 10.671 6.816 1.00 41.76 H new ATOM 0 HB2 LYS B 195 15.931 11.048 5.704 1.00 42.95 H new ATOM 0 HB3 LYS B 195 16.454 11.078 7.376 1.00 42.95 H new ATOM 0 HG2 LYS B 195 17.840 13.173 6.794 1.00 45.27 H new ATOM 0 HG3 LYS B 195 17.032 13.185 5.238 1.00 45.27 H new ATOM 0 HD2 LYS B 195 15.006 13.864 6.137 1.00 47.56 H new ATOM 0 HD3 LYS B 195 15.203 12.896 7.585 1.00 47.56 H new ATOM 0 HE2 LYS B 195 17.262 14.962 7.529 1.00 50.16 H new ATOM 0 HE3 LYS B 195 15.694 15.707 7.287 1.00 50.16 H new ATOM 0 HZ1 LYS B 195 16.209 15.494 9.643 1.00 50.69 H new ATOM 0 HZ2 LYS B 195 14.864 14.534 9.254 1.00 50.69 H new ATOM 0 HZ3 LYS B 195 16.383 13.812 9.488 1.00 50.69 H new ATOM 990 N GLY B 196 18.353 8.759 4.503 1.00 34.40 N ATOM 991 CA GLY B 196 18.109 7.358 4.057 1.00 29.38 C ATOM 992 C GLY B 196 16.662 7.213 3.585 1.00 25.82 C ATOM 993 O GLY B 196 16.007 8.181 3.255 1.00 25.14 O ATOM 0 H GLY B 196 19.006 9.290 3.927 1.00 34.40 H new ATOM 0 HA2 GLY B 196 18.793 7.099 3.249 1.00 29.38 H new ATOM 0 HA3 GLY B 196 18.306 6.666 4.876 1.00 29.38 H new ATOM 997 N LEU B 197 16.157 6.010 3.550 1.00 25.09 N ATOM 998 CA LEU B 197 14.752 5.805 3.097 1.00 24.92 C ATOM 999 C LEU B 197 13.960 5.090 4.195 1.00 23.75 C ATOM 1000 O LEU B 197 14.504 4.331 4.972 1.00 23.93 O ATOM 1001 CB LEU B 197 14.747 4.949 1.829 1.00 25.84 C ATOM 1002 CG LEU B 197 15.641 3.725 2.035 1.00 30.07 C ATOM 1003 CD1 LEU B 197 14.940 2.482 1.483 1.00 29.71 C ATOM 1004 CD2 LEU B 197 16.965 3.932 1.297 1.00 30.59 C ATOM 0 H LEU B 197 16.656 5.161 3.815 1.00 25.09 H new ATOM 0 HA LEU B 197 14.293 6.771 2.888 1.00 24.92 H new ATOM 0 HB2 LEU B 197 13.730 4.634 1.594 1.00 25.84 H new ATOM 0 HB3 LEU B 197 15.103 5.534 0.981 1.00 25.84 H new ATOM 0 HG LEU B 197 15.834 3.591 3.099 1.00 30.07 H new ATOM 0 HD11 LEU B 197 15.577 1.610 1.630 1.00 29.71 H new ATOM 0 HD12 LEU B 197 13.996 2.334 2.007 1.00 29.71 H new ATOM 0 HD13 LEU B 197 14.747 2.616 0.419 1.00 29.71 H new ATOM 0 HD21 LEU B 197 17.603 3.060 1.443 1.00 30.59 H new ATOM 0 HD22 LEU B 197 16.771 4.066 0.233 1.00 30.59 H new ATOM 0 HD23 LEU B 197 17.465 4.818 1.689 1.00 30.59 H new ATOM 1016 N ASN B 198 12.679 5.326 4.263 1.00 21.78 N ATOM 1017 CA ASN B 198 11.853 4.660 5.309 1.00 19.17 C ATOM 1018 C ASN B 198 10.705 3.900 4.642 1.00 16.90 C ATOM 1019 O ASN B 198 10.631 3.806 3.433 1.00 15.60 O ATOM 1020 CB ASN B 198 11.282 5.714 6.260 1.00 18.45 C ATOM 1021 CG ASN B 198 12.384 6.702 6.647 1.00 20.04 C ATOM 1022 OD1 ASN B 198 12.848 7.528 5.749 1.00 23.65 O flip ATOM 1023 ND2 ASN B 198 12.827 6.724 7.778 1.00 21.55 N flip ATOM 0 H ASN B 198 12.168 5.951 3.639 1.00 21.78 H new ATOM 0 HA ASN B 198 12.474 3.963 5.872 1.00 19.17 H new ATOM 0 HB2 ASN B 198 10.457 6.242 5.782 1.00 18.45 H new ATOM 0 HB3 ASN B 198 10.879 5.234 7.152 1.00 18.45 H new ATOM 0 HD21 ASN B 198 12.465 6.079 8.480 1.00 21.55 H new ATOM 0 HD22 ASN B 198 13.561 7.388 8.025 1.00 21.55 H new ATOM 1030 N VAL B 199 9.809 3.358 5.420 1.00 14.62 N ATOM 1031 CA VAL B 199 8.669 2.605 4.827 1.00 11.82 C ATOM 1032 C VAL B 199 7.379 2.963 5.568 1.00 10.68 C ATOM 1033 O VAL B 199 7.341 3.006 6.782 1.00 13.24 O ATOM 1034 CB VAL B 199 8.926 1.103 4.955 1.00 9.61 C ATOM 1035 CG1 VAL B 199 7.783 0.329 4.296 1.00 11.94 C ATOM 1036 CG2 VAL B 199 10.244 0.752 4.260 1.00 10.00 C ATOM 0 H VAL B 199 9.817 3.404 6.439 1.00 14.62 H new ATOM 0 HA VAL B 199 8.570 2.869 3.774 1.00 11.82 H new ATOM 0 HB VAL B 199 8.985 0.834 6.010 1.00 9.61 H new ATOM 0 HG11 VAL B 199 7.968 -0.741 4.388 1.00 11.94 H new ATOM 0 HG12 VAL B 199 6.843 0.579 4.788 1.00 11.94 H new ATOM 0 HG13 VAL B 199 7.723 0.597 3.241 1.00 11.94 H new ATOM 0 HG21 VAL B 199 10.429 -0.318 4.350 1.00 10.00 H new ATOM 0 HG22 VAL B 199 10.183 1.022 3.206 1.00 10.00 H new ATOM 0 HG23 VAL B 199 11.060 1.302 4.729 1.00 10.00 H new ATOM 1046 N LYS B 200 6.320 3.219 4.850 1.00 11.30 N ATOM 1047 CA LYS B 200 5.035 3.571 5.517 1.00 11.14 C ATOM 1048 C LYS B 200 3.966 2.548 5.125 1.00 8.78 C ATOM 1049 O LYS B 200 3.571 2.457 3.981 1.00 9.63 O ATOM 1050 CB LYS B 200 4.594 4.967 5.073 1.00 11.27 C ATOM 1051 CG LYS B 200 5.174 6.012 6.028 1.00 16.97 C ATOM 1052 CD LYS B 200 6.280 6.797 5.319 1.00 21.04 C ATOM 1053 CE LYS B 200 6.791 7.905 6.240 1.00 28.12 C ATOM 1054 NZ LYS B 200 7.828 7.352 7.157 1.00 32.40 N ATOM 0 H LYS B 200 6.289 3.200 3.831 1.00 11.30 H new ATOM 0 HA LYS B 200 5.170 3.562 6.599 1.00 11.14 H new ATOM 0 HB2 LYS B 200 4.933 5.161 4.055 1.00 11.27 H new ATOM 0 HB3 LYS B 200 3.506 5.031 5.064 1.00 11.27 H new ATOM 0 HG2 LYS B 200 4.389 6.691 6.361 1.00 16.97 H new ATOM 0 HG3 LYS B 200 5.573 5.525 6.918 1.00 16.97 H new ATOM 0 HD2 LYS B 200 7.098 6.129 5.048 1.00 21.04 H new ATOM 0 HD3 LYS B 200 5.899 7.227 4.393 1.00 21.04 H new ATOM 0 HE2 LYS B 200 7.210 8.719 5.649 1.00 28.12 H new ATOM 0 HE3 LYS B 200 5.966 8.322 6.817 1.00 28.12 H new ATOM 0 HZ1 LYS B 200 8.016 8.033 7.920 1.00 32.40 H new ATOM 0 HZ2 LYS B 200 7.488 6.459 7.567 1.00 32.40 H new ATOM 0 HZ3 LYS B 200 8.704 7.178 6.625 1.00 32.40 H new ATOM 1068 N HIS B 201 3.499 1.773 6.065 1.00 7.82 N ATOM 1069 CA HIS B 201 2.464 0.750 5.742 1.00 7.41 C ATOM 1070 C HIS B 201 1.065 1.347 5.923 1.00 9.79 C ATOM 1071 O HIS B 201 0.739 1.889 6.960 1.00 10.36 O ATOM 1072 CB HIS B 201 2.629 -0.451 6.674 1.00 6.15 C ATOM 1073 CG HIS B 201 3.895 -1.185 6.327 1.00 5.80 C ATOM 1074 ND1 HIS B 201 3.884 -2.445 5.747 1.00 7.97 N ATOM 1075 CD2 HIS B 201 5.219 -0.851 6.471 1.00 7.69 C ATOM 1076 CE1 HIS B 201 5.164 -2.818 5.566 1.00 7.75 C ATOM 1077 NE2 HIS B 201 6.018 -1.883 5.990 1.00 6.51 N ATOM 0 H HIS B 201 3.789 1.804 7.042 1.00 7.82 H new ATOM 0 HA HIS B 201 2.586 0.431 4.707 1.00 7.41 H new ATOM 0 HB2 HIS B 201 2.662 -0.118 7.711 1.00 6.15 H new ATOM 0 HB3 HIS B 201 1.772 -1.118 6.580 1.00 6.15 H new ATOM 0 HD2 HIS B 201 5.585 0.073 6.894 1.00 7.69 H new ATOM 0 HE1 HIS B 201 5.464 -3.760 5.131 1.00 7.75 H new ATOM 0 HE2 HIS B 201 7.037 -1.918 5.966 1.00 6.51 H new ATOM 1085 N TYR B 202 0.235 1.238 4.921 1.00 10.61 N ATOM 1086 CA TYR B 202 -1.147 1.785 5.029 1.00 10.61 C ATOM 1087 C TYR B 202 -2.147 0.630 4.953 1.00 10.67 C ATOM 1088 O TYR B 202 -2.403 0.088 3.896 1.00 11.97 O ATOM 1089 CB TYR B 202 -1.403 2.756 3.875 1.00 10.02 C ATOM 1090 CG TYR B 202 -0.878 4.124 4.241 1.00 10.20 C ATOM 1091 CD1 TYR B 202 0.489 4.413 4.095 1.00 9.08 C ATOM 1092 CD2 TYR B 202 -1.757 5.108 4.723 1.00 10.92 C ATOM 1093 CE1 TYR B 202 0.978 5.686 4.433 1.00 11.32 C ATOM 1094 CE2 TYR B 202 -1.269 6.382 5.061 1.00 11.72 C ATOM 1095 CZ TYR B 202 0.098 6.671 4.916 1.00 12.88 C ATOM 1096 OH TYR B 202 0.578 7.921 5.246 1.00 13.22 O ATOM 0 H TYR B 202 0.456 0.793 4.030 1.00 10.61 H new ATOM 0 HA TYR B 202 -1.262 2.312 5.976 1.00 10.61 H new ATOM 0 HB2 TYR B 202 -0.914 2.398 2.969 1.00 10.02 H new ATOM 0 HB3 TYR B 202 -2.470 2.810 3.661 1.00 10.02 H new ATOM 0 HD1 TYR B 202 1.164 3.657 3.723 1.00 9.08 H new ATOM 0 HD2 TYR B 202 -2.808 4.886 4.834 1.00 10.92 H new ATOM 0 HE1 TYR B 202 2.029 5.908 4.322 1.00 11.32 H new ATOM 0 HE2 TYR B 202 -1.945 7.138 5.432 1.00 11.72 H new ATOM 0 HH TYR B 202 -0.161 8.482 5.562 1.00 13.22 H new ATOM 1106 N LYS B 203 -2.709 0.243 6.065 1.00 11.16 N ATOM 1107 CA LYS B 203 -3.685 -0.882 6.054 1.00 13.85 C ATOM 1108 C LYS B 203 -4.889 -0.518 5.182 1.00 13.44 C ATOM 1109 O LYS B 203 -5.540 0.486 5.392 1.00 12.80 O ATOM 1110 CB LYS B 203 -4.155 -1.162 7.483 1.00 19.04 C ATOM 1111 CG LYS B 203 -4.558 0.152 8.156 1.00 23.92 C ATOM 1112 CD LYS B 203 -5.624 -0.124 9.216 1.00 29.39 C ATOM 1113 CE LYS B 203 -4.948 -0.483 10.541 1.00 31.37 C ATOM 1114 NZ LYS B 203 -5.051 -1.951 10.770 1.00 36.57 N ATOM 0 H LYS B 203 -2.534 0.657 6.981 1.00 11.16 H new ATOM 0 HA LYS B 203 -3.204 -1.771 5.646 1.00 13.85 H new ATOM 0 HB2 LYS B 203 -5.000 -1.850 7.471 1.00 19.04 H new ATOM 0 HB3 LYS B 203 -3.359 -1.644 8.051 1.00 19.04 H new ATOM 0 HG2 LYS B 203 -3.687 0.620 8.614 1.00 23.92 H new ATOM 0 HG3 LYS B 203 -4.941 0.851 7.413 1.00 23.92 H new ATOM 0 HD2 LYS B 203 -6.258 0.753 9.345 1.00 29.39 H new ATOM 0 HD3 LYS B 203 -6.270 -0.940 8.893 1.00 29.39 H new ATOM 0 HE2 LYS B 203 -3.901 -0.180 10.521 1.00 31.37 H new ATOM 0 HE3 LYS B 203 -5.421 0.058 11.361 1.00 31.37 H new ATOM 0 HZ1 LYS B 203 -4.592 -2.195 11.671 1.00 36.57 H new ATOM 0 HZ2 LYS B 203 -6.053 -2.227 10.807 1.00 36.57 H new ATOM 0 HZ3 LYS B 203 -4.580 -2.457 9.993 1.00 36.57 H new ATOM 1128 N ILE B 204 -5.195 -1.336 4.210 1.00 14.05 N ATOM 1129 CA ILE B 204 -6.361 -1.049 3.326 1.00 13.51 C ATOM 1130 C ILE B 204 -7.608 -1.688 3.931 1.00 14.04 C ATOM 1131 O ILE B 204 -7.713 -2.893 4.041 1.00 15.82 O ATOM 1132 CB ILE B 204 -6.105 -1.632 1.936 1.00 12.30 C ATOM 1133 CG1 ILE B 204 -4.988 -0.842 1.251 1.00 11.29 C ATOM 1134 CG2 ILE B 204 -7.381 -1.539 1.097 1.00 14.21 C ATOM 1135 CD1 ILE B 204 -4.552 -1.568 -0.023 1.00 13.89 C ATOM 0 H ILE B 204 -4.686 -2.192 3.990 1.00 14.05 H new ATOM 0 HA ILE B 204 -6.505 0.028 3.239 1.00 13.51 H new ATOM 0 HB ILE B 204 -5.809 -2.677 2.031 1.00 12.30 H new ATOM 0 HG12 ILE B 204 -5.335 0.162 1.008 1.00 11.29 H new ATOM 0 HG13 ILE B 204 -4.140 -0.731 1.927 1.00 11.29 H new ATOM 0 HG21 ILE B 204 -7.196 -1.955 0.107 1.00 14.21 H new ATOM 0 HG22 ILE B 204 -8.178 -2.101 1.584 1.00 14.21 H new ATOM 0 HG23 ILE B 204 -7.679 -0.495 1.002 1.00 14.21 H new ATOM 0 HD11 ILE B 204 -3.756 -1.004 -0.509 1.00 13.89 H new ATOM 0 HD12 ILE B 204 -4.187 -2.563 0.232 1.00 13.89 H new ATOM 0 HD13 ILE B 204 -5.401 -1.655 -0.701 1.00 13.89 H new ATOM 1147 N ARG B 205 -8.550 -0.885 4.336 1.00 15.56 N ATOM 1148 CA ARG B 205 -9.786 -1.439 4.947 1.00 13.76 C ATOM 1149 C ARG B 205 -10.617 -2.148 3.886 1.00 13.72 C ATOM 1150 O ARG B 205 -10.575 -1.819 2.717 1.00 13.25 O ATOM 1151 CB ARG B 205 -10.594 -0.303 5.564 1.00 15.23 C ATOM 1152 CG ARG B 205 -9.677 0.496 6.482 1.00 20.69 C ATOM 1153 CD ARG B 205 -10.513 1.348 7.438 1.00 28.70 C ATOM 1154 NE ARG B 205 -9.794 2.621 7.726 1.00 38.45 N ATOM 1155 CZ ARG B 205 -10.025 3.267 8.836 1.00 41.91 C ATOM 1156 NH1 ARG B 205 -11.150 3.089 9.472 1.00 41.78 N ATOM 1157 NH2 ARG B 205 -9.130 4.090 9.310 1.00 44.96 N ATOM 0 H ARG B 205 -8.516 0.132 4.270 1.00 15.56 H new ATOM 0 HA ARG B 205 -9.517 -2.157 5.721 1.00 13.76 H new ATOM 0 HB2 ARG B 205 -11.003 0.339 4.784 1.00 15.23 H new ATOM 0 HB3 ARG B 205 -11.440 -0.700 6.125 1.00 15.23 H new ATOM 0 HG2 ARG B 205 -9.036 -0.180 7.049 1.00 20.69 H new ATOM 0 HG3 ARG B 205 -9.022 1.135 5.890 1.00 20.69 H new ATOM 0 HD2 ARG B 205 -11.487 1.560 6.997 1.00 28.70 H new ATOM 0 HD3 ARG B 205 -10.695 0.803 8.364 1.00 28.70 H new ATOM 0 HE ARG B 205 -9.120 2.988 7.054 1.00 38.45 H new ATOM 0 HH11 ARG B 205 -11.849 2.445 9.102 1.00 41.78 H new ATOM 0 HH12 ARG B 205 -11.331 3.594 10.340 1.00 41.78 H new ATOM 0 HH21 ARG B 205 -8.250 4.228 8.813 1.00 44.96 H new ATOM 0 HH22 ARG B 205 -9.310 4.595 10.178 1.00 44.96 H new ATOM 1171 N LYS B 206 -11.368 -3.125 4.293 1.00 14.89 N ATOM 1172 CA LYS B 206 -12.207 -3.877 3.320 1.00 18.13 C ATOM 1173 C LYS B 206 -13.463 -4.405 4.015 1.00 17.74 C ATOM 1174 O LYS B 206 -13.447 -5.452 4.633 1.00 18.39 O ATOM 1175 CB LYS B 206 -11.404 -5.053 2.764 1.00 21.97 C ATOM 1176 CG LYS B 206 -12.312 -5.937 1.907 1.00 27.97 C ATOM 1177 CD LYS B 206 -11.502 -7.102 1.338 1.00 32.27 C ATOM 1178 CE LYS B 206 -12.228 -7.686 0.125 1.00 33.99 C ATOM 1179 NZ LYS B 206 -13.004 -8.889 0.541 1.00 35.74 N ATOM 0 H LYS B 206 -11.440 -3.439 5.261 1.00 14.89 H new ATOM 0 HA LYS B 206 -12.499 -3.212 2.507 1.00 18.13 H new ATOM 0 HB2 LYS B 206 -10.569 -4.686 2.167 1.00 21.97 H new ATOM 0 HB3 LYS B 206 -10.980 -5.635 3.582 1.00 21.97 H new ATOM 0 HG2 LYS B 206 -13.140 -6.315 2.507 1.00 27.97 H new ATOM 0 HG3 LYS B 206 -12.746 -5.352 1.096 1.00 27.97 H new ATOM 0 HD2 LYS B 206 -10.508 -6.761 1.050 1.00 32.27 H new ATOM 0 HD3 LYS B 206 -11.367 -7.871 2.099 1.00 32.27 H new ATOM 0 HE2 LYS B 206 -12.896 -6.940 -0.306 1.00 33.99 H new ATOM 0 HE3 LYS B 206 -11.508 -7.954 -0.649 1.00 33.99 H new ATOM 0 HZ1 LYS B 206 -13.498 -9.286 -0.284 1.00 35.74 H new ATOM 0 HZ2 LYS B 206 -12.356 -9.602 0.933 1.00 35.74 H new ATOM 0 HZ3 LYS B 206 -13.701 -8.620 1.265 1.00 35.74 H new ATOM 1193 N LEU B 207 -14.553 -3.697 3.914 1.00 17.31 N ATOM 1194 CA LEU B 207 -15.806 -4.169 4.562 1.00 19.33 C ATOM 1195 C LEU B 207 -16.317 -5.403 3.820 1.00 21.64 C ATOM 1196 O LEU B 207 -16.451 -5.399 2.612 1.00 21.80 O ATOM 1197 CB LEU B 207 -16.864 -3.070 4.491 1.00 19.68 C ATOM 1198 CG LEU B 207 -16.335 -1.803 5.157 1.00 19.58 C ATOM 1199 CD1 LEU B 207 -16.959 -0.577 4.488 1.00 16.81 C ATOM 1200 CD2 LEU B 207 -16.700 -1.816 6.643 1.00 16.39 C ATOM 0 H LEU B 207 -14.629 -2.813 3.411 1.00 17.31 H new ATOM 0 HA LEU B 207 -15.607 -4.416 5.605 1.00 19.33 H new ATOM 0 HB2 LEU B 207 -17.121 -2.866 3.452 1.00 19.68 H new ATOM 0 HB3 LEU B 207 -17.777 -3.399 4.987 1.00 19.68 H new ATOM 0 HG LEU B 207 -15.251 -1.762 5.051 1.00 19.58 H new ATOM 0 HD11 LEU B 207 -16.582 0.328 4.963 1.00 16.81 H new ATOM 0 HD12 LEU B 207 -16.698 -0.567 3.430 1.00 16.81 H new ATOM 0 HD13 LEU B 207 -18.043 -0.617 4.594 1.00 16.81 H new ATOM 0 HD21 LEU B 207 -16.322 -0.911 7.118 1.00 16.39 H new ATOM 0 HD22 LEU B 207 -17.784 -1.857 6.751 1.00 16.39 H new ATOM 0 HD23 LEU B 207 -16.254 -2.689 7.119 1.00 16.39 H new ATOM 1212 N ASP B 208 -16.607 -6.457 4.527 1.00 24.31 N ATOM 1213 CA ASP B 208 -17.113 -7.681 3.849 1.00 27.33 C ATOM 1214 C ASP B 208 -18.377 -7.330 3.068 1.00 28.23 C ATOM 1215 O ASP B 208 -18.574 -7.767 1.951 1.00 28.17 O ATOM 1216 CB ASP B 208 -17.437 -8.752 4.894 1.00 32.44 C ATOM 1217 CG ASP B 208 -16.139 -9.389 5.393 1.00 36.84 C ATOM 1218 OD1 ASP B 208 -15.107 -9.132 4.794 1.00 40.11 O ATOM 1219 OD2 ASP B 208 -16.198 -10.124 6.365 1.00 41.58 O ATOM 0 H ASP B 208 -16.516 -6.525 5.541 1.00 24.31 H new ATOM 0 HA ASP B 208 -16.353 -8.065 3.168 1.00 27.33 H new ATOM 0 HB2 ASP B 208 -17.981 -8.308 5.728 1.00 32.44 H new ATOM 0 HB3 ASP B 208 -18.085 -9.514 4.460 1.00 32.44 H new ATOM 1224 N SER B 209 -19.236 -6.544 3.651 1.00 30.57 N ATOM 1225 CA SER B 209 -20.486 -6.158 2.970 1.00 30.81 C ATOM 1226 C SER B 209 -20.319 -4.784 2.312 1.00 31.86 C ATOM 1227 O SER B 209 -21.187 -4.319 1.602 1.00 34.96 O ATOM 1228 CB SER B 209 -21.587 -6.090 4.017 1.00 29.35 C ATOM 1229 OG SER B 209 -21.041 -5.612 5.239 1.00 27.77 O ATOM 0 H SER B 209 -19.117 -6.150 4.584 1.00 30.57 H new ATOM 0 HA SER B 209 -20.735 -6.886 2.198 1.00 30.81 H new ATOM 0 HB2 SER B 209 -22.386 -5.430 3.679 1.00 29.35 H new ATOM 0 HB3 SER B 209 -22.028 -7.076 4.163 1.00 29.35 H new ATOM 0 HG SER B 209 -21.747 -5.565 5.917 1.00 27.77 H new ATOM 1235 N GLY B 210 -19.214 -4.126 2.549 1.00 31.91 N ATOM 1236 CA GLY B 210 -19.007 -2.781 1.941 1.00 30.37 C ATOM 1237 C GLY B 210 -17.931 -2.857 0.855 1.00 29.39 C ATOM 1238 O GLY B 210 -17.953 -3.722 0.004 1.00 32.51 O ATOM 0 H GLY B 210 -18.450 -4.461 3.135 1.00 31.91 H new ATOM 0 HA2 GLY B 210 -19.942 -2.418 1.513 1.00 30.37 H new ATOM 0 HA3 GLY B 210 -18.710 -2.067 2.709 1.00 30.37 H new ATOM 1242 N GLY B 211 -16.992 -1.949 0.878 1.00 27.09 N ATOM 1243 CA GLY B 211 -15.916 -1.957 -0.154 1.00 22.75 C ATOM 1244 C GLY B 211 -14.551 -1.837 0.519 1.00 20.54 C ATOM 1245 O GLY B 211 -14.173 -2.654 1.333 1.00 21.66 O ATOM 0 H GLY B 211 -16.924 -1.201 1.568 1.00 27.09 H new ATOM 0 HA2 GLY B 211 -15.965 -2.877 -0.736 1.00 22.75 H new ATOM 0 HA3 GLY B 211 -16.062 -1.131 -0.851 1.00 22.75 H new ATOM 1249 N PHE B 212 -13.808 -0.820 0.184 1.00 18.17 N ATOM 1250 CA PHE B 212 -12.463 -0.636 0.801 1.00 17.54 C ATOM 1251 C PHE B 212 -12.273 0.841 1.149 1.00 15.84 C ATOM 1252 O PHE B 212 -12.909 1.704 0.579 1.00 18.26 O ATOM 1253 CB PHE B 212 -11.381 -1.070 -0.191 1.00 16.88 C ATOM 1254 CG PHE B 212 -11.757 -2.400 -0.795 1.00 18.16 C ATOM 1255 CD1 PHE B 212 -12.736 -2.461 -1.801 1.00 18.25 C ATOM 1256 CD2 PHE B 212 -11.129 -3.576 -0.353 1.00 18.64 C ATOM 1257 CE1 PHE B 212 -13.088 -3.699 -2.364 1.00 18.17 C ATOM 1258 CE2 PHE B 212 -11.481 -4.815 -0.917 1.00 19.59 C ATOM 1259 CZ PHE B 212 -12.460 -4.876 -1.922 1.00 18.19 C ATOM 0 H PHE B 212 -14.074 -0.105 -0.493 1.00 18.17 H new ATOM 0 HA PHE B 212 -12.386 -1.241 1.704 1.00 17.54 H new ATOM 0 HB2 PHE B 212 -11.270 -0.321 -0.975 1.00 16.88 H new ATOM 0 HB3 PHE B 212 -10.419 -1.147 0.315 1.00 16.88 H new ATOM 0 HD1 PHE B 212 -13.218 -1.556 -2.141 1.00 18.25 H new ATOM 0 HD2 PHE B 212 -10.376 -3.529 0.420 1.00 18.64 H new ATOM 0 HE1 PHE B 212 -13.841 -3.746 -3.137 1.00 18.17 H new ATOM 0 HE2 PHE B 212 -10.999 -5.720 -0.577 1.00 19.59 H new ATOM 0 HZ PHE B 212 -12.730 -5.828 -2.355 1.00 18.19 H new ATOM 1269 N TYR B 213 -11.406 1.144 2.077 1.00 14.56 N ATOM 1270 CA TYR B 213 -11.192 2.570 2.445 1.00 12.35 C ATOM 1271 C TYR B 213 -10.145 2.667 3.556 1.00 12.92 C ATOM 1272 O TYR B 213 -10.418 2.401 4.709 1.00 12.14 O ATOM 1273 CB TYR B 213 -12.513 3.185 2.926 1.00 12.55 C ATOM 1274 CG TYR B 213 -12.959 2.522 4.210 1.00 14.01 C ATOM 1275 CD1 TYR B 213 -13.235 1.144 4.236 1.00 13.18 C ATOM 1276 CD2 TYR B 213 -13.100 3.288 5.380 1.00 13.49 C ATOM 1277 CE1 TYR B 213 -13.650 0.533 5.432 1.00 14.46 C ATOM 1278 CE2 TYR B 213 -13.515 2.678 6.574 1.00 13.06 C ATOM 1279 CZ TYR B 213 -13.790 1.300 6.601 1.00 15.80 C ATOM 1280 OH TYR B 213 -14.198 0.699 7.774 1.00 18.90 O ATOM 0 H TYR B 213 -10.841 0.470 2.593 1.00 14.56 H new ATOM 0 HA TYR B 213 -10.838 3.115 1.570 1.00 12.35 H new ATOM 0 HB2 TYR B 213 -12.388 4.256 3.085 1.00 12.55 H new ATOM 0 HB3 TYR B 213 -13.279 3.064 2.160 1.00 12.55 H new ATOM 0 HD1 TYR B 213 -13.128 0.555 3.337 1.00 13.18 H new ATOM 0 HD2 TYR B 213 -12.889 4.347 5.360 1.00 13.49 H new ATOM 0 HE1 TYR B 213 -13.861 -0.526 5.452 1.00 14.46 H new ATOM 0 HE2 TYR B 213 -13.623 3.268 7.472 1.00 13.06 H new ATOM 0 HH TYR B 213 -14.243 1.370 8.487 1.00 18.90 H new ATOM 1290 N ILE B 214 -8.946 3.053 3.217 1.00 13.74 N ATOM 1291 CA ILE B 214 -7.884 3.174 4.251 1.00 13.80 C ATOM 1292 C ILE B 214 -8.286 4.261 5.254 1.00 14.16 C ATOM 1293 O ILE B 214 -7.720 4.372 6.324 1.00 12.50 O ATOM 1294 CB ILE B 214 -6.560 3.540 3.571 1.00 10.15 C ATOM 1295 CG1 ILE B 214 -5.991 2.296 2.890 1.00 9.57 C ATOM 1296 CG2 ILE B 214 -5.555 4.048 4.609 1.00 8.37 C ATOM 1297 CD1 ILE B 214 -4.968 2.714 1.832 1.00 7.18 C ATOM 0 H ILE B 214 -8.657 3.290 2.268 1.00 13.74 H new ATOM 0 HA ILE B 214 -7.761 2.229 4.780 1.00 13.80 H new ATOM 0 HB ILE B 214 -6.739 4.325 2.836 1.00 10.15 H new ATOM 0 HG12 ILE B 214 -5.521 1.647 3.629 1.00 9.57 H new ATOM 0 HG13 ILE B 214 -6.794 1.722 2.427 1.00 9.57 H new ATOM 0 HG21 ILE B 214 -4.619 4.305 4.114 1.00 8.37 H new ATOM 0 HG22 ILE B 214 -5.958 4.932 5.104 1.00 8.37 H new ATOM 0 HG23 ILE B 214 -5.372 3.270 5.350 1.00 8.37 H new ATOM 0 HD11 ILE B 214 -4.563 1.826 1.347 1.00 7.18 H new ATOM 0 HD12 ILE B 214 -5.452 3.345 1.087 1.00 7.18 H new ATOM 0 HD13 ILE B 214 -4.159 3.269 2.307 1.00 7.18 H new ATOM 1309 N THR B 215 -9.264 5.059 4.919 1.00 15.77 N ATOM 1310 CA THR B 215 -9.709 6.130 5.852 1.00 18.20 C ATOM 1311 C THR B 215 -11.204 6.380 5.655 1.00 17.81 C ATOM 1312 O THR B 215 -11.779 5.997 4.655 1.00 15.56 O ATOM 1313 CB THR B 215 -8.930 7.417 5.563 1.00 20.21 C ATOM 1314 OG1 THR B 215 -9.317 8.420 6.492 1.00 26.81 O ATOM 1315 CG2 THR B 215 -9.233 7.890 4.141 1.00 22.31 C ATOM 0 H THR B 215 -9.774 5.014 4.037 1.00 15.77 H new ATOM 0 HA THR B 215 -9.523 5.821 6.880 1.00 18.20 H new ATOM 0 HB THR B 215 -7.861 7.226 5.659 1.00 20.21 H new ATOM 0 HG1 THR B 215 -8.819 9.244 6.310 1.00 26.81 H new ATOM 0 HG21 THR B 215 -8.678 8.806 3.936 1.00 22.31 H new ATOM 0 HG22 THR B 215 -8.936 7.119 3.430 1.00 22.31 H new ATOM 0 HG23 THR B 215 -10.301 8.083 4.042 1.00 22.31 H new ATOM 1323 N SER B 216 -11.841 7.017 6.599 1.00 18.97 N ATOM 1324 CA SER B 216 -13.302 7.284 6.466 1.00 18.71 C ATOM 1325 C SER B 216 -13.522 8.570 5.665 1.00 18.69 C ATOM 1326 O SER B 216 -14.314 9.414 6.037 1.00 20.53 O ATOM 1327 CB SER B 216 -13.919 7.437 7.855 1.00 20.19 C ATOM 1328 OG SER B 216 -13.377 6.448 8.722 1.00 22.41 O ATOM 0 H SER B 216 -11.413 7.364 7.457 1.00 18.97 H new ATOM 0 HA SER B 216 -13.775 6.451 5.946 1.00 18.71 H new ATOM 0 HB2 SER B 216 -13.715 8.433 8.248 1.00 20.19 H new ATOM 0 HB3 SER B 216 -15.002 7.332 7.798 1.00 20.19 H new ATOM 0 HG SER B 216 -13.770 6.545 9.615 1.00 22.41 H new ATOM 1334 N ARG B 217 -12.834 8.726 4.567 1.00 0.00 N ATOM 1335 CA ARG B 217 -13.011 9.957 3.746 1.00 0.00 C ATOM 1336 C ARG B 217 -13.455 9.570 2.333 1.00 0.00 C ATOM 1337 O ARG B 217 -14.109 10.332 1.649 1.00 0.00 O ATOM 1338 CB ARG B 217 -11.687 10.720 3.676 1.00 0.00 C ATOM 1339 CG ARG B 217 -11.513 11.558 4.945 1.00 0.00 C ATOM 1340 CD ARG B 217 -12.681 12.538 5.076 1.00 0.00 C ATOM 1341 NE ARG B 217 -12.322 13.611 6.044 1.00 0.00 N ATOM 1342 CZ ARG B 217 -13.217 14.489 6.406 1.00 0.00 C ATOM 1343 NH1 ARG B 217 -14.345 14.093 6.931 1.00 0.00 N ATOM 1344 NH2 ARG B 217 -12.985 15.763 6.244 1.00 0.00 N ATOM 0 H ARG B 217 -12.158 8.055 4.203 1.00 0.00 H new ATOM 0 HA ARG B 217 -13.770 10.591 4.203 1.00 0.00 H new ATOM 0 HB2 ARG B 217 -10.857 10.021 3.572 1.00 0.00 H new ATOM 0 HB3 ARG B 217 -11.672 11.364 2.797 1.00 0.00 H new ATOM 0 HG2 ARG B 217 -11.470 10.908 5.819 1.00 0.00 H new ATOM 0 HG3 ARG B 217 -10.570 12.103 4.907 1.00 0.00 H new ATOM 0 HD2 ARG B 217 -12.915 12.973 4.105 1.00 0.00 H new ATOM 0 HD3 ARG B 217 -13.574 12.013 5.414 1.00 0.00 H new ATOM 0 HE ARG B 217 -11.377 13.660 6.424 1.00 0.00 H new ATOM 0 HH11 ARG B 217 -14.527 13.097 7.058 1.00 0.00 H new ATOM 0 HH12 ARG B 217 -15.045 14.779 7.214 1.00 0.00 H new ATOM 0 HH21 ARG B 217 -12.104 16.073 5.834 1.00 0.00 H new ATOM 0 HH22 ARG B 217 -13.685 16.449 6.527 1.00 0.00 H new ATOM 1358 N THR B 218 -13.106 8.392 1.888 1.00 23.45 N ATOM 1359 CA THR B 218 -13.509 7.964 0.519 1.00 23.59 C ATOM 1360 C THR B 218 -13.674 6.441 0.485 1.00 19.84 C ATOM 1361 O THR B 218 -12.931 5.713 1.113 1.00 20.24 O ATOM 1362 CB THR B 218 -12.434 8.383 -0.486 1.00 26.45 C ATOM 1363 OG1 THR B 218 -12.309 9.798 -0.480 1.00 30.31 O ATOM 1364 CG2 THR B 218 -12.828 7.907 -1.885 1.00 27.38 C ATOM 0 H THR B 218 -12.560 7.709 2.414 1.00 23.45 H new ATOM 0 HA THR B 218 -14.455 8.437 0.257 1.00 23.59 H new ATOM 0 HB THR B 218 -11.480 7.934 -0.209 1.00 26.45 H new ATOM 0 HG1 THR B 218 -11.620 10.068 -1.122 1.00 30.31 H new ATOM 0 HG21 THR B 218 -12.062 8.206 -2.600 1.00 27.38 H new ATOM 0 HG22 THR B 218 -12.922 6.821 -1.887 1.00 27.38 H new ATOM 0 HG23 THR B 218 -13.781 8.354 -2.166 1.00 27.38 H new ATOM 1372 N GLN B 219 -14.641 5.958 -0.246 1.00 18.30 N ATOM 1373 CA GLN B 219 -14.853 4.483 -0.325 1.00 20.11 C ATOM 1374 C GLN B 219 -14.584 4.009 -1.755 1.00 19.45 C ATOM 1375 O GLN B 219 -14.739 4.751 -2.704 1.00 20.30 O ATOM 1376 CB GLN B 219 -16.298 4.157 0.058 1.00 20.56 C ATOM 1377 CG GLN B 219 -16.592 4.704 1.456 1.00 23.60 C ATOM 1378 CD GLN B 219 -17.784 3.957 2.056 1.00 19.08 C ATOM 1379 OE1 GLN B 219 -17.674 2.802 2.417 1.00 17.99 O ATOM 1380 NE2 GLN B 219 -18.929 4.572 2.179 1.00 17.08 N ATOM 0 H GLN B 219 -15.294 6.520 -0.792 1.00 18.30 H new ATOM 0 HA GLN B 219 -14.173 3.977 0.360 1.00 20.11 H new ATOM 0 HB2 GLN B 219 -16.985 4.594 -0.667 1.00 20.56 H new ATOM 0 HB3 GLN B 219 -16.456 3.079 0.037 1.00 20.56 H new ATOM 0 HG2 GLN B 219 -15.717 4.587 2.095 1.00 23.60 H new ATOM 0 HG3 GLN B 219 -16.807 5.771 1.403 1.00 23.60 H new ATOM 0 HE21 GLN B 219 -19.022 5.542 1.876 1.00 17.08 H new ATOM 0 HE22 GLN B 219 -19.730 4.083 2.578 1.00 17.08 H new ATOM 1389 N PHE B 220 -14.181 2.780 -1.916 1.00 18.96 N ATOM 1390 CA PHE B 220 -13.902 2.260 -3.283 1.00 17.73 C ATOM 1391 C PHE B 220 -14.647 0.942 -3.490 1.00 17.76 C ATOM 1392 O PHE B 220 -15.038 0.283 -2.547 1.00 19.11 O ATOM 1393 CB PHE B 220 -12.398 2.029 -3.443 1.00 14.17 C ATOM 1394 CG PHE B 220 -11.667 3.337 -3.250 1.00 14.07 C ATOM 1395 CD1 PHE B 220 -11.922 4.418 -4.109 1.00 14.01 C ATOM 1396 CD2 PHE B 220 -10.731 3.471 -2.210 1.00 12.87 C ATOM 1397 CE1 PHE B 220 -11.243 5.634 -3.929 1.00 11.11 C ATOM 1398 CE2 PHE B 220 -10.051 4.688 -2.031 1.00 13.31 C ATOM 1399 CZ PHE B 220 -10.308 5.769 -2.889 1.00 13.09 C ATOM 0 H PHE B 220 -14.033 2.112 -1.159 1.00 18.96 H new ATOM 0 HA PHE B 220 -14.238 2.986 -4.024 1.00 17.73 H new ATOM 0 HB2 PHE B 220 -12.052 1.295 -2.715 1.00 14.17 H new ATOM 0 HB3 PHE B 220 -12.184 1.622 -4.432 1.00 14.17 H new ATOM 0 HD1 PHE B 220 -12.641 4.314 -4.908 1.00 14.01 H new ATOM 0 HD2 PHE B 220 -10.535 2.640 -1.549 1.00 12.87 H new ATOM 0 HE1 PHE B 220 -11.439 6.465 -4.590 1.00 11.11 H new ATOM 0 HE2 PHE B 220 -9.331 4.792 -1.233 1.00 13.31 H new ATOM 0 HZ PHE B 220 -9.787 6.705 -2.750 1.00 13.09 H new ATOM 1409 N ASN B 221 -14.849 0.551 -4.719 1.00 20.00 N ATOM 1410 CA ASN B 221 -15.571 -0.724 -4.987 1.00 21.48 C ATOM 1411 C ASN B 221 -14.561 -1.847 -5.239 1.00 22.18 C ATOM 1412 O ASN B 221 -14.920 -2.934 -5.647 1.00 24.56 O ATOM 1413 CB ASN B 221 -16.461 -0.554 -6.221 1.00 26.12 C ATOM 1414 CG ASN B 221 -17.425 -1.737 -6.322 1.00 28.62 C ATOM 1415 OD1 ASN B 221 -17.049 -2.807 -6.760 1.00 32.09 O ATOM 1416 ND2 ASN B 221 -18.662 -1.591 -5.931 1.00 31.44 N ATOM 0 H ASN B 221 -14.545 1.060 -5.549 1.00 20.00 H new ATOM 0 HA ASN B 221 -16.186 -0.979 -4.124 1.00 21.48 H new ATOM 0 HB2 ASN B 221 -17.020 0.379 -6.154 1.00 26.12 H new ATOM 0 HB3 ASN B 221 -15.847 -0.494 -7.120 1.00 26.12 H new ATOM 0 HD21 ASN B 221 -19.312 -2.374 -5.993 1.00 31.44 H new ATOM 0 HD22 ASN B 221 -18.978 -0.694 -5.563 1.00 31.44 H new ATOM 1423 N SER B 222 -13.302 -1.599 -4.999 1.00 20.04 N ATOM 1424 CA SER B 222 -12.282 -2.660 -5.229 1.00 17.84 C ATOM 1425 C SER B 222 -10.907 -2.151 -4.794 1.00 17.08 C ATOM 1426 O SER B 222 -10.595 -0.983 -4.928 1.00 17.94 O ATOM 1427 CB SER B 222 -12.245 -3.017 -6.716 1.00 15.42 C ATOM 1428 OG SER B 222 -12.023 -1.837 -7.477 1.00 19.15 O ATOM 0 H SER B 222 -12.937 -0.711 -4.655 1.00 20.04 H new ATOM 0 HA SER B 222 -12.542 -3.545 -4.648 1.00 17.84 H new ATOM 0 HB2 SER B 222 -11.454 -3.742 -6.908 1.00 15.42 H new ATOM 0 HB3 SER B 222 -13.184 -3.484 -7.013 1.00 15.42 H new ATOM 0 HG SER B 222 -11.997 -2.063 -8.430 1.00 19.15 H new ATOM 1434 N LEU B 223 -10.080 -3.017 -4.275 1.00 17.11 N ATOM 1435 CA LEU B 223 -8.725 -2.579 -3.838 1.00 16.96 C ATOM 1436 C LEU B 223 -8.044 -1.835 -4.986 1.00 17.05 C ATOM 1437 O LEU B 223 -7.312 -0.886 -4.780 1.00 18.74 O ATOM 1438 CB LEU B 223 -7.892 -3.804 -3.455 1.00 15.68 C ATOM 1439 CG LEU B 223 -8.350 -4.328 -2.092 1.00 18.50 C ATOM 1440 CD1 LEU B 223 -7.846 -5.760 -1.899 1.00 17.89 C ATOM 1441 CD2 LEU B 223 -7.781 -3.435 -0.987 1.00 17.50 C ATOM 0 H LEU B 223 -10.284 -4.007 -4.135 1.00 17.11 H new ATOM 0 HA LEU B 223 -8.812 -1.919 -2.975 1.00 16.96 H new ATOM 0 HB2 LEU B 223 -8.001 -4.582 -4.211 1.00 15.68 H new ATOM 0 HB3 LEU B 223 -6.835 -3.541 -3.419 1.00 15.68 H new ATOM 0 HG LEU B 223 -9.439 -4.317 -2.046 1.00 18.50 H new ATOM 0 HD11 LEU B 223 -8.172 -6.133 -0.928 1.00 17.89 H new ATOM 0 HD12 LEU B 223 -8.249 -6.397 -2.686 1.00 17.89 H new ATOM 0 HD13 LEU B 223 -6.757 -5.772 -1.945 1.00 17.89 H new ATOM 0 HD21 LEU B 223 -8.106 -3.807 -0.015 1.00 17.50 H new ATOM 0 HD22 LEU B 223 -6.692 -3.447 -1.034 1.00 17.50 H new ATOM 0 HD23 LEU B 223 -8.139 -2.415 -1.123 1.00 17.50 H new ATOM 1453 N GLN B 224 -8.282 -2.256 -6.197 1.00 17.04 N ATOM 1454 CA GLN B 224 -7.653 -1.572 -7.362 1.00 17.80 C ATOM 1455 C GLN B 224 -8.133 -0.123 -7.414 1.00 17.42 C ATOM 1456 O GLN B 224 -7.369 0.781 -7.683 1.00 17.16 O ATOM 1457 CB GLN B 224 -8.049 -2.290 -8.653 1.00 21.63 C ATOM 1458 CG GLN B 224 -6.932 -2.135 -9.688 1.00 27.99 C ATOM 1459 CD GLN B 224 -7.492 -1.471 -10.947 1.00 31.34 C ATOM 1460 OE1 GLN B 224 -8.266 -0.539 -10.864 1.00 31.30 O ATOM 1461 NE2 GLN B 224 -7.129 -1.915 -12.119 1.00 33.99 N ATOM 0 H GLN B 224 -8.885 -3.045 -6.431 1.00 17.04 H new ATOM 0 HA GLN B 224 -6.568 -1.594 -7.257 1.00 17.80 H new ATOM 0 HB2 GLN B 224 -8.230 -3.346 -8.453 1.00 21.63 H new ATOM 0 HB3 GLN B 224 -8.979 -1.875 -9.042 1.00 21.63 H new ATOM 0 HG2 GLN B 224 -6.121 -1.534 -9.277 1.00 27.99 H new ATOM 0 HG3 GLN B 224 -6.512 -3.110 -9.934 1.00 27.99 H new ATOM 0 HE21 GLN B 224 -6.479 -2.698 -12.189 1.00 33.99 H new ATOM 0 HE22 GLN B 224 -7.495 -1.479 -12.965 1.00 33.99 H new ATOM 1470 N GLN B 225 -9.391 0.108 -7.156 1.00 17.93 N ATOM 1471 CA GLN B 225 -9.909 1.504 -7.186 1.00 17.77 C ATOM 1472 C GLN B 225 -9.134 2.344 -6.170 1.00 14.93 C ATOM 1473 O GLN B 225 -8.661 3.422 -6.471 1.00 15.44 O ATOM 1474 CB GLN B 225 -11.397 1.507 -6.828 1.00 23.54 C ATOM 1475 CG GLN B 225 -12.226 1.743 -8.092 1.00 32.83 C ATOM 1476 CD GLN B 225 -13.698 1.914 -7.714 1.00 37.70 C ATOM 1477 OE1 GLN B 225 -14.024 2.674 -6.823 1.00 41.31 O ATOM 1478 NE2 GLN B 225 -14.608 1.235 -8.358 1.00 38.92 N ATOM 0 H GLN B 225 -10.081 -0.608 -6.926 1.00 17.93 H new ATOM 0 HA GLN B 225 -9.781 1.923 -8.184 1.00 17.77 H new ATOM 0 HB2 GLN B 225 -11.674 0.557 -6.371 1.00 23.54 H new ATOM 0 HB3 GLN B 225 -11.604 2.286 -6.094 1.00 23.54 H new ATOM 0 HG2 GLN B 225 -11.868 2.631 -8.613 1.00 32.83 H new ATOM 0 HG3 GLN B 225 -12.111 0.903 -8.777 1.00 32.83 H new ATOM 0 HE21 GLN B 225 -14.335 0.597 -9.106 1.00 38.92 H new ATOM 0 HE22 GLN B 225 -15.592 1.342 -8.114 1.00 38.92 H new ATOM 1487 N LEU B 226 -8.996 1.854 -4.968 1.00 13.83 N ATOM 1488 CA LEU B 226 -8.244 2.619 -3.931 1.00 13.09 C ATOM 1489 C LEU B 226 -6.844 2.940 -4.458 1.00 11.87 C ATOM 1490 O LEU B 226 -6.280 3.973 -4.156 1.00 12.13 O ATOM 1491 CB LEU B 226 -8.137 1.773 -2.658 1.00 12.56 C ATOM 1492 CG LEU B 226 -7.311 2.515 -1.604 1.00 13.63 C ATOM 1493 CD1 LEU B 226 -7.739 2.059 -0.208 1.00 13.34 C ATOM 1494 CD2 LEU B 226 -5.827 2.200 -1.807 1.00 14.36 C ATOM 0 H LEU B 226 -9.371 0.957 -4.659 1.00 13.83 H new ATOM 0 HA LEU B 226 -8.767 3.548 -3.704 1.00 13.09 H new ATOM 0 HB2 LEU B 226 -9.132 1.560 -2.268 1.00 12.56 H new ATOM 0 HB3 LEU B 226 -7.673 0.814 -2.887 1.00 12.56 H new ATOM 0 HG LEU B 226 -7.474 3.588 -1.703 1.00 13.63 H new ATOM 0 HD11 LEU B 226 -7.151 2.587 0.543 1.00 13.34 H new ATOM 0 HD12 LEU B 226 -8.797 2.279 -0.062 1.00 13.34 H new ATOM 0 HD13 LEU B 226 -7.574 0.986 -0.109 1.00 13.34 H new ATOM 0 HD21 LEU B 226 -5.237 2.728 -1.057 1.00 14.36 H new ATOM 0 HD22 LEU B 226 -5.666 1.127 -1.706 1.00 14.36 H new ATOM 0 HD23 LEU B 226 -5.520 2.521 -2.802 1.00 14.36 H new ATOM 1506 N VAL B 227 -6.278 2.067 -5.248 1.00 11.28 N ATOM 1507 CA VAL B 227 -4.916 2.334 -5.792 1.00 13.23 C ATOM 1508 C VAL B 227 -5.006 3.386 -6.899 1.00 13.64 C ATOM 1509 O VAL B 227 -4.091 4.155 -7.114 1.00 15.96 O ATOM 1510 CB VAL B 227 -4.331 1.041 -6.365 1.00 9.89 C ATOM 1511 CG1 VAL B 227 -2.828 1.216 -6.589 1.00 9.85 C ATOM 1512 CG2 VAL B 227 -4.570 -0.105 -5.379 1.00 9.58 C ATOM 0 H VAL B 227 -6.698 1.184 -5.539 1.00 11.28 H new ATOM 0 HA VAL B 227 -4.272 2.701 -4.992 1.00 13.23 H new ATOM 0 HB VAL B 227 -4.815 0.812 -7.315 1.00 9.89 H new ATOM 0 HG11 VAL B 227 -2.411 0.295 -6.997 1.00 9.85 H new ATOM 0 HG12 VAL B 227 -2.657 2.033 -7.290 1.00 9.85 H new ATOM 0 HG13 VAL B 227 -2.343 1.444 -5.640 1.00 9.85 H new ATOM 0 HG21 VAL B 227 -4.154 -1.027 -5.785 1.00 9.58 H new ATOM 0 HG22 VAL B 227 -4.085 0.125 -4.430 1.00 9.58 H new ATOM 0 HG23 VAL B 227 -5.641 -0.230 -5.219 1.00 9.58 H new ATOM 1522 N ALA B 228 -6.105 3.428 -7.603 1.00 16.21 N ATOM 1523 CA ALA B 228 -6.253 4.432 -8.694 1.00 16.05 C ATOM 1524 C ALA B 228 -6.300 5.835 -8.087 1.00 16.38 C ATOM 1525 O ALA B 228 -5.575 6.722 -8.492 1.00 17.42 O ATOM 1526 CB ALA B 228 -7.549 4.164 -9.462 1.00 17.50 C ATOM 0 H ALA B 228 -6.906 2.811 -7.469 1.00 16.21 H new ATOM 0 HA ALA B 228 -5.406 4.358 -9.376 1.00 16.05 H new ATOM 0 HB1 ALA B 228 -7.657 4.898 -10.260 1.00 17.50 H new ATOM 0 HB2 ALA B 228 -7.517 3.163 -9.892 1.00 17.50 H new ATOM 0 HB3 ALA B 228 -8.397 4.240 -8.782 1.00 17.50 H new ATOM 1532 N TYR B 229 -7.146 6.042 -7.117 1.00 17.24 N ATOM 1533 CA TYR B 229 -7.236 7.386 -6.484 1.00 15.90 C ATOM 1534 C TYR B 229 -5.864 7.773 -5.928 1.00 15.53 C ATOM 1535 O TYR B 229 -5.341 8.829 -6.222 1.00 15.40 O ATOM 1536 CB TYR B 229 -8.257 7.348 -5.345 1.00 17.41 C ATOM 1537 CG TYR B 229 -8.878 8.714 -5.177 1.00 19.62 C ATOM 1538 CD1 TYR B 229 -9.367 9.406 -6.299 1.00 19.06 C ATOM 1539 CD2 TYR B 229 -8.966 9.294 -3.901 1.00 20.00 C ATOM 1540 CE1 TYR B 229 -9.945 10.678 -6.142 1.00 20.67 C ATOM 1541 CE2 TYR B 229 -9.543 10.565 -3.745 1.00 22.03 C ATOM 1542 CZ TYR B 229 -10.033 11.257 -4.865 1.00 22.97 C ATOM 1543 OH TYR B 229 -10.600 12.507 -4.713 1.00 24.81 O ATOM 0 H TYR B 229 -7.779 5.339 -6.736 1.00 17.24 H new ATOM 0 HA TYR B 229 -7.551 8.120 -7.226 1.00 15.90 H new ATOM 0 HB2 TYR B 229 -9.030 6.610 -5.560 1.00 17.41 H new ATOM 0 HB3 TYR B 229 -7.772 7.041 -4.418 1.00 17.41 H new ATOM 0 HD1 TYR B 229 -9.299 8.961 -7.281 1.00 19.06 H new ATOM 0 HD2 TYR B 229 -8.590 8.763 -3.039 1.00 20.00 H new ATOM 0 HE1 TYR B 229 -10.321 11.210 -7.003 1.00 20.67 H new ATOM 0 HE2 TYR B 229 -9.610 11.011 -2.763 1.00 22.03 H new ATOM 0 HH TYR B 229 -10.584 12.761 -3.767 1.00 24.81 H new ATOM 1553 N TYR B 230 -5.277 6.925 -5.128 1.00 15.18 N ATOM 1554 CA TYR B 230 -3.939 7.248 -4.557 1.00 16.33 C ATOM 1555 C TYR B 230 -2.871 7.146 -5.651 1.00 16.83 C ATOM 1556 O TYR B 230 -1.731 7.515 -5.450 1.00 16.71 O ATOM 1557 CB TYR B 230 -3.608 6.263 -3.431 1.00 14.52 C ATOM 1558 CG TYR B 230 -4.685 6.316 -2.371 1.00 16.10 C ATOM 1559 CD1 TYR B 230 -5.398 7.507 -2.144 1.00 17.17 C ATOM 1560 CD2 TYR B 230 -4.971 5.172 -1.608 1.00 15.88 C ATOM 1561 CE1 TYR B 230 -6.397 7.552 -1.157 1.00 17.84 C ATOM 1562 CE2 TYR B 230 -5.970 5.217 -0.620 1.00 17.12 C ATOM 1563 CZ TYR B 230 -6.682 6.406 -0.395 1.00 17.32 C ATOM 1564 OH TYR B 230 -7.663 6.450 0.575 1.00 19.89 O ATOM 0 H TYR B 230 -5.665 6.025 -4.846 1.00 15.18 H new ATOM 0 HA TYR B 230 -3.956 8.263 -4.160 1.00 16.33 H new ATOM 0 HB2 TYR B 230 -3.528 5.252 -3.831 1.00 14.52 H new ATOM 0 HB3 TYR B 230 -2.641 6.509 -2.993 1.00 14.52 H new ATOM 0 HD1 TYR B 230 -5.177 8.388 -2.729 1.00 17.17 H new ATOM 0 HD2 TYR B 230 -4.423 4.257 -1.780 1.00 15.88 H new ATOM 0 HE1 TYR B 230 -6.945 8.466 -0.984 1.00 17.84 H new ATOM 0 HE2 TYR B 230 -6.190 4.337 -0.034 1.00 17.12 H new ATOM 0 HH TYR B 230 -7.734 5.574 1.008 1.00 19.89 H new ATOM 1574 N SER B 231 -3.225 6.647 -6.805 1.00 17.92 N ATOM 1575 CA SER B 231 -2.224 6.525 -7.902 1.00 22.15 C ATOM 1576 C SER B 231 -2.025 7.882 -8.579 1.00 22.66 C ATOM 1577 O SER B 231 -1.076 8.089 -9.308 1.00 24.35 O ATOM 1578 CB SER B 231 -2.718 5.511 -8.934 1.00 21.66 C ATOM 1579 OG SER B 231 -2.248 4.216 -8.583 1.00 28.41 O ATOM 0 H SER B 231 -4.163 6.319 -7.035 1.00 17.92 H new ATOM 0 HA SER B 231 -1.275 6.189 -7.483 1.00 22.15 H new ATOM 0 HB2 SER B 231 -3.807 5.517 -8.974 1.00 21.66 H new ATOM 0 HB3 SER B 231 -2.361 5.783 -9.927 1.00 21.66 H new ATOM 0 HG SER B 231 -2.566 3.985 -7.685 1.00 28.41 H new ATOM 1585 N LYS B 232 -2.910 8.812 -8.345 1.00 24.70 N ATOM 1586 CA LYS B 232 -2.764 10.152 -8.978 1.00 27.78 C ATOM 1587 C LYS B 232 -2.464 11.197 -7.902 1.00 29.48 C ATOM 1588 O LYS B 232 -1.522 11.957 -8.006 1.00 31.78 O ATOM 1589 CB LYS B 232 -4.062 10.519 -9.698 1.00 28.95 C ATOM 1590 CG LYS B 232 -3.748 10.956 -11.130 1.00 35.04 C ATOM 1591 CD LYS B 232 -4.274 9.908 -12.113 1.00 42.20 C ATOM 1592 CE LYS B 232 -3.116 9.027 -12.588 1.00 46.43 C ATOM 1593 NZ LYS B 232 -2.985 9.133 -14.068 1.00 50.42 N ATOM 0 H LYS B 232 -3.726 8.702 -7.744 1.00 24.70 H new ATOM 0 HA LYS B 232 -1.944 10.127 -9.696 1.00 27.78 H new ATOM 0 HB2 LYS B 232 -4.739 9.664 -9.708 1.00 28.95 H new ATOM 0 HB3 LYS B 232 -4.571 11.322 -9.165 1.00 28.95 H new ATOM 0 HG2 LYS B 232 -4.206 11.924 -11.335 1.00 35.04 H new ATOM 0 HG3 LYS B 232 -2.672 11.080 -11.256 1.00 35.04 H new ATOM 0 HD2 LYS B 232 -5.038 9.296 -11.634 1.00 42.20 H new ATOM 0 HD3 LYS B 232 -4.746 10.398 -12.965 1.00 42.20 H new ATOM 0 HE2 LYS B 232 -2.188 9.337 -12.107 1.00 46.43 H new ATOM 0 HE3 LYS B 232 -3.293 7.990 -12.301 1.00 46.43 H new ATOM 0 HZ1 LYS B 232 -2.198 8.534 -14.391 1.00 50.42 H new ATOM 0 HZ2 LYS B 232 -3.868 8.817 -14.518 1.00 50.42 H new ATOM 0 HZ3 LYS B 232 -2.798 10.122 -14.330 1.00 50.42 H new ATOM 1607 N HIS B 233 -3.258 11.241 -6.868 1.00 31.24 N ATOM 1608 CA HIS B 233 -3.017 12.237 -5.785 1.00 31.51 C ATOM 1609 C HIS B 233 -2.871 11.511 -4.447 1.00 28.20 C ATOM 1610 O HIS B 233 -3.672 10.669 -4.095 1.00 29.72 O ATOM 1611 CB HIS B 233 -4.195 13.214 -5.708 1.00 33.74 C ATOM 1612 CG HIS B 233 -5.476 12.492 -6.026 1.00 39.30 C ATOM 1613 ND1 HIS B 233 -6.280 12.848 -7.097 1.00 40.06 N ATOM 1614 CD2 HIS B 233 -6.104 11.430 -5.423 1.00 39.81 C ATOM 1615 CE1 HIS B 233 -7.335 12.014 -7.108 1.00 41.81 C ATOM 1616 NE2 HIS B 233 -7.278 11.130 -6.109 1.00 42.50 N ATOM 0 H HIS B 233 -4.063 10.631 -6.726 1.00 31.24 H new ATOM 0 HA HIS B 233 -2.103 12.790 -6.003 1.00 31.51 H new ATOM 0 HB2 HIS B 233 -4.251 13.652 -4.712 1.00 33.74 H new ATOM 0 HB3 HIS B 233 -4.045 14.035 -6.409 1.00 33.74 H new ATOM 0 HD2 HIS B 233 -5.742 10.907 -4.550 1.00 39.81 H new ATOM 0 HE1 HIS B 233 -8.131 12.054 -7.836 1.00 41.81 H new ATOM 0 HE2 HIS B 233 -7.950 10.393 -5.894 1.00 42.50 H new ATOM 1624 N ALA B 234 -1.853 11.833 -3.698 1.00 24.22 N ATOM 1625 CA ALA B 234 -1.653 11.163 -2.383 1.00 22.83 C ATOM 1626 C ALA B 234 -2.642 11.735 -1.364 1.00 24.43 C ATOM 1627 O ALA B 234 -3.015 11.080 -0.411 1.00 23.70 O ATOM 1628 CB ALA B 234 -0.224 11.409 -1.897 1.00 19.43 C ATOM 0 H ALA B 234 -1.151 12.532 -3.940 1.00 24.22 H new ATOM 0 HA ALA B 234 -1.821 10.092 -2.492 1.00 22.83 H new ATOM 0 HB1 ALA B 234 -0.078 10.919 -0.935 1.00 19.43 H new ATOM 0 HB2 ALA B 234 0.482 11.003 -2.622 1.00 19.43 H new ATOM 0 HB3 ALA B 234 -0.056 12.480 -1.788 1.00 19.43 H new ATOM 1634 N ASP B 235 -3.068 12.953 -1.556 1.00 27.21 N ATOM 1635 CA ASP B 235 -4.030 13.563 -0.598 1.00 29.29 C ATOM 1636 C ASP B 235 -3.371 13.662 0.787 1.00 28.86 C ATOM 1637 O ASP B 235 -2.412 14.387 0.967 1.00 29.80 O ATOM 1638 CB ASP B 235 -5.296 12.700 -0.536 1.00 35.17 C ATOM 1639 CG ASP B 235 -6.343 13.389 0.339 1.00 40.61 C ATOM 1640 OD1 ASP B 235 -5.959 14.218 1.148 1.00 46.14 O ATOM 1641 OD2 ASP B 235 -7.513 13.077 0.187 1.00 45.11 O ATOM 0 H ASP B 235 -2.791 13.551 -2.334 1.00 27.21 H new ATOM 0 HA ASP B 235 -4.305 14.565 -0.927 1.00 29.29 H new ATOM 0 HB2 ASP B 235 -5.692 12.544 -1.540 1.00 35.17 H new ATOM 0 HB3 ASP B 235 -5.059 11.716 -0.131 1.00 35.17 H new ATOM 1646 N GLY B 236 -3.861 12.947 1.765 1.00 27.14 N ATOM 1647 CA GLY B 236 -3.241 13.020 3.118 1.00 25.64 C ATOM 1648 C GLY B 236 -2.222 11.890 3.272 1.00 24.14 C ATOM 1649 O GLY B 236 -1.927 11.452 4.365 1.00 24.47 O ATOM 0 H GLY B 236 -4.660 12.318 1.685 1.00 27.14 H new ATOM 0 HA2 GLY B 236 -2.753 13.985 3.255 1.00 25.64 H new ATOM 0 HA3 GLY B 236 -4.009 12.939 3.887 1.00 25.64 H new ATOM 1653 N LEU B 237 -1.682 11.416 2.183 1.00 20.92 N ATOM 1654 CA LEU B 237 -0.682 10.313 2.265 1.00 19.13 C ATOM 1655 C LEU B 237 0.730 10.905 2.301 1.00 18.42 C ATOM 1656 O LEU B 237 0.915 12.101 2.196 1.00 19.85 O ATOM 1657 CB LEU B 237 -0.824 9.404 1.042 1.00 19.72 C ATOM 1658 CG LEU B 237 -1.824 8.289 1.352 1.00 21.67 C ATOM 1659 CD1 LEU B 237 -2.370 7.716 0.043 1.00 17.09 C ATOM 1660 CD2 LEU B 237 -1.122 7.181 2.140 1.00 22.76 C ATOM 0 H LEU B 237 -1.890 11.744 1.240 1.00 20.92 H new ATOM 0 HA LEU B 237 -0.855 9.732 3.171 1.00 19.13 H new ATOM 0 HB2 LEU B 237 -1.162 9.982 0.182 1.00 19.72 H new ATOM 0 HB3 LEU B 237 0.144 8.977 0.778 1.00 19.72 H new ATOM 0 HG LEU B 237 -2.646 8.691 1.943 1.00 21.67 H new ATOM 0 HD11 LEU B 237 -3.083 6.921 0.263 1.00 17.09 H new ATOM 0 HD12 LEU B 237 -2.869 8.505 -0.520 1.00 17.09 H new ATOM 0 HD13 LEU B 237 -1.548 7.313 -0.548 1.00 17.09 H new ATOM 0 HD21 LEU B 237 -1.833 6.386 2.362 1.00 22.76 H new ATOM 0 HD22 LEU B 237 -0.300 6.778 1.548 1.00 22.76 H new ATOM 0 HD23 LEU B 237 -0.732 7.589 3.072 1.00 22.76 H new ATOM 1672 N CYS B 238 1.726 10.076 2.452 1.00 18.29 N ATOM 1673 CA CYS B 238 3.123 10.589 2.499 1.00 17.21 C ATOM 1674 C CYS B 238 3.722 10.583 1.090 1.00 18.80 C ATOM 1675 O CYS B 238 4.759 11.169 0.845 1.00 19.09 O ATOM 1676 CB CYS B 238 3.960 9.692 3.410 1.00 17.49 C ATOM 1677 SG CYS B 238 3.802 7.970 2.875 1.00 18.25 S ATOM 0 H CYS B 238 1.632 9.065 2.545 1.00 18.29 H new ATOM 0 HA CYS B 238 3.122 11.608 2.886 1.00 17.21 H new ATOM 0 HB2 CYS B 238 5.005 9.999 3.379 1.00 17.49 H new ATOM 0 HB3 CYS B 238 3.628 9.795 4.443 1.00 17.49 H new ATOM 0 HG CYS B 238 3.511 7.223 3.898 1.00 18.25 H new ATOM 1683 N HIS B 239 3.082 9.927 0.162 1.00 17.96 N ATOM 1684 CA HIS B 239 3.621 9.887 -1.228 1.00 18.41 C ATOM 1685 C HIS B 239 2.581 9.265 -2.162 1.00 18.79 C ATOM 1686 O HIS B 239 1.849 8.371 -1.786 1.00 19.28 O ATOM 1687 CB HIS B 239 4.897 9.044 -1.253 1.00 18.77 C ATOM 1688 CG HIS B 239 5.780 9.501 -2.382 1.00 18.40 C ATOM 1689 ND1 HIS B 239 5.442 9.304 -3.712 1.00 18.53 N ATOM 1690 CD2 HIS B 239 6.991 10.146 -2.395 1.00 19.51 C ATOM 1691 CE1 HIS B 239 6.431 9.822 -4.463 1.00 19.04 C ATOM 1692 NE2 HIS B 239 7.401 10.348 -3.710 1.00 20.02 N ATOM 0 H HIS B 239 2.210 9.417 0.305 1.00 17.96 H new ATOM 0 HA HIS B 239 3.846 10.900 -1.560 1.00 18.41 H new ATOM 0 HB2 HIS B 239 5.425 9.137 -0.304 1.00 18.77 H new ATOM 0 HB3 HIS B 239 4.647 7.990 -1.377 1.00 18.77 H new ATOM 0 HD1 HIS B 239 4.597 8.849 -4.058 1.00 18.53 H new ATOM 0 HD2 HIS B 239 7.543 10.451 -1.518 1.00 19.51 H new ATOM 0 HE1 HIS B 239 6.440 9.814 -5.543 1.00 19.04 H new ATOM 1700 N ARG B 240 2.510 9.731 -3.380 1.00 19.17 N ATOM 1701 CA ARG B 240 1.517 9.164 -4.337 1.00 20.76 C ATOM 1702 C ARG B 240 2.094 7.907 -4.989 1.00 18.50 C ATOM 1703 O ARG B 240 3.258 7.852 -5.337 1.00 17.06 O ATOM 1704 CB ARG B 240 1.195 10.200 -5.417 1.00 25.30 C ATOM 1705 CG ARG B 240 0.364 9.544 -6.523 1.00 30.23 C ATOM 1706 CD ARG B 240 1.262 9.245 -7.722 1.00 37.22 C ATOM 1707 NE ARG B 240 1.467 10.490 -8.514 1.00 43.41 N ATOM 1708 CZ ARG B 240 2.510 10.605 -9.290 1.00 45.15 C ATOM 1709 NH1 ARG B 240 2.786 9.670 -10.157 1.00 46.15 N ATOM 1710 NH2 ARG B 240 3.279 11.657 -9.199 1.00 46.50 N ATOM 0 H ARG B 240 3.096 10.478 -3.753 1.00 19.17 H new ATOM 0 HA ARG B 240 0.604 8.907 -3.800 1.00 20.76 H new ATOM 0 HB2 ARG B 240 0.646 11.035 -4.982 1.00 25.30 H new ATOM 0 HB3 ARG B 240 2.117 10.606 -5.833 1.00 25.30 H new ATOM 0 HG2 ARG B 240 -0.089 8.623 -6.155 1.00 30.23 H new ATOM 0 HG3 ARG B 240 -0.451 10.204 -6.821 1.00 30.23 H new ATOM 0 HD2 ARG B 240 2.222 8.856 -7.382 1.00 37.22 H new ATOM 0 HD3 ARG B 240 0.808 8.475 -8.346 1.00 37.22 H new ATOM 0 HE ARG B 240 0.792 11.252 -8.450 1.00 43.41 H new ATOM 0 HH11 ARG B 240 2.186 8.848 -10.229 1.00 46.15 H new ATOM 0 HH12 ARG B 240 3.601 9.761 -10.763 1.00 46.15 H new ATOM 0 HH21 ARG B 240 3.064 12.389 -8.521 1.00 46.50 H new ATOM 0 HH22 ARG B 240 4.094 11.747 -9.805 1.00 46.50 H new ATOM 1724 N LEU B 241 1.286 6.900 -5.162 1.00 16.42 N ATOM 1725 CA LEU B 241 1.778 5.645 -5.797 1.00 16.95 C ATOM 1726 C LEU B 241 2.399 5.979 -7.156 1.00 18.53 C ATOM 1727 O LEU B 241 1.808 6.664 -7.965 1.00 19.32 O ATOM 1728 CB LEU B 241 0.603 4.687 -5.998 1.00 12.02 C ATOM 1729 CG LEU B 241 -0.181 4.541 -4.691 1.00 10.93 C ATOM 1730 CD1 LEU B 241 -1.185 3.394 -4.823 1.00 7.07 C ATOM 1731 CD2 LEU B 241 0.786 4.238 -3.542 1.00 9.30 C ATOM 0 H LEU B 241 0.303 6.891 -4.890 1.00 16.42 H new ATOM 0 HA LEU B 241 2.526 5.177 -5.157 1.00 16.95 H new ATOM 0 HB2 LEU B 241 -0.052 5.061 -6.785 1.00 12.02 H new ATOM 0 HB3 LEU B 241 0.968 3.713 -6.324 1.00 12.02 H new ATOM 0 HG LEU B 241 -0.712 5.470 -4.484 1.00 10.93 H new ATOM 0 HD11 LEU B 241 -1.743 3.290 -3.893 1.00 7.07 H new ATOM 0 HD12 LEU B 241 -1.876 3.607 -5.639 1.00 7.07 H new ATOM 0 HD13 LEU B 241 -0.652 2.466 -5.032 1.00 7.07 H new ATOM 0 HD21 LEU B 241 0.226 4.135 -2.613 1.00 9.30 H new ATOM 0 HD22 LEU B 241 1.319 3.310 -3.750 1.00 9.30 H new ATOM 0 HD23 LEU B 241 1.503 5.054 -3.445 1.00 9.30 H new ATOM 1743 N THR B 242 3.585 5.502 -7.415 1.00 20.81 N ATOM 1744 CA THR B 242 4.234 5.800 -8.723 1.00 20.89 C ATOM 1745 C THR B 242 4.693 4.498 -9.381 1.00 21.74 C ATOM 1746 O THR B 242 4.662 4.358 -10.588 1.00 24.76 O ATOM 1747 CB THR B 242 5.444 6.711 -8.496 1.00 20.18 C ATOM 1748 OG1 THR B 242 6.282 6.142 -7.501 1.00 22.88 O ATOM 1749 CG2 THR B 242 4.968 8.090 -8.039 1.00 19.22 C ATOM 0 H THR B 242 4.132 4.920 -6.780 1.00 20.81 H new ATOM 0 HA THR B 242 3.517 6.300 -9.375 1.00 20.89 H new ATOM 0 HB THR B 242 6.003 6.813 -9.426 1.00 20.18 H new ATOM 0 HG1 THR B 242 7.182 6.523 -7.574 1.00 22.88 H new ATOM 0 HG21 THR B 242 5.830 8.737 -7.878 1.00 19.22 H new ATOM 0 HG22 THR B 242 4.325 8.525 -8.804 1.00 19.22 H new ATOM 0 HG23 THR B 242 4.409 7.992 -7.109 1.00 19.22 H new ATOM 1757 N THR B 243 5.121 3.543 -8.601 1.00 20.71 N ATOM 1758 CA THR B 243 5.583 2.255 -9.190 1.00 18.86 C ATOM 1759 C THR B 243 5.264 1.109 -8.229 1.00 18.56 C ATOM 1760 O THR B 243 5.037 1.319 -7.055 1.00 18.28 O ATOM 1761 CB THR B 243 7.094 2.315 -9.425 1.00 20.42 C ATOM 1762 OG1 THR B 243 7.429 3.560 -10.022 1.00 20.70 O ATOM 1763 CG2 THR B 243 7.515 1.173 -10.351 1.00 16.38 C ATOM 0 H THR B 243 5.171 3.599 -7.584 1.00 20.71 H new ATOM 0 HA THR B 243 5.072 2.087 -10.138 1.00 18.86 H new ATOM 0 HB THR B 243 7.614 2.216 -8.472 1.00 20.42 H new ATOM 0 HG1 THR B 243 8.397 3.601 -10.172 1.00 20.70 H new ATOM 0 HG21 THR B 243 8.591 1.217 -10.517 1.00 16.38 H new ATOM 0 HG22 THR B 243 7.258 0.219 -9.892 1.00 16.38 H new ATOM 0 HG23 THR B 243 6.996 1.268 -11.305 1.00 16.38 H new ATOM 1771 N VAL B 244 5.250 -0.101 -8.716 1.00 16.29 N ATOM 1772 CA VAL B 244 4.951 -1.259 -7.828 1.00 16.81 C ATOM 1773 C VAL B 244 6.260 -1.803 -7.252 1.00 16.74 C ATOM 1774 O VAL B 244 7.336 -1.393 -7.639 1.00 17.40 O ATOM 1775 CB VAL B 244 4.251 -2.354 -8.633 1.00 17.29 C ATOM 1776 CG1 VAL B 244 3.489 -3.280 -7.684 1.00 17.99 C ATOM 1777 CG2 VAL B 244 3.267 -1.713 -9.615 1.00 17.19 C ATOM 0 H VAL B 244 5.433 -0.338 -9.691 1.00 16.29 H new ATOM 0 HA VAL B 244 4.299 -0.938 -7.015 1.00 16.81 H new ATOM 0 HB VAL B 244 4.995 -2.930 -9.183 1.00 17.29 H new ATOM 0 HG11 VAL B 244 2.990 -4.060 -8.259 1.00 17.99 H new ATOM 0 HG12 VAL B 244 4.187 -3.737 -6.982 1.00 17.99 H new ATOM 0 HG13 VAL B 244 2.745 -2.704 -7.133 1.00 17.99 H new ATOM 0 HG21 VAL B 244 2.767 -2.492 -10.190 1.00 17.19 H new ATOM 0 HG22 VAL B 244 2.525 -1.137 -9.062 1.00 17.19 H new ATOM 0 HG23 VAL B 244 3.808 -1.053 -10.293 1.00 17.19 H new ATOM 1787 N CYS B 245 6.178 -2.725 -6.333 1.00 15.40 N ATOM 1788 CA CYS B 245 7.420 -3.291 -5.737 1.00 16.70 C ATOM 1789 C CYS B 245 8.395 -3.690 -6.852 1.00 16.64 C ATOM 1790 O CYS B 245 9.540 -3.285 -6.838 1.00 17.47 O ATOM 1791 CB CYS B 245 7.072 -4.520 -4.895 1.00 15.93 C ATOM 1792 SG CYS B 245 7.845 -4.371 -3.265 1.00 18.24 S ATOM 0 H CYS B 245 5.306 -3.110 -5.970 1.00 15.40 H new ATOM 0 HA CYS B 245 7.889 -2.539 -5.102 1.00 16.70 H new ATOM 0 HB2 CYS B 245 5.991 -4.608 -4.790 1.00 15.93 H new ATOM 0 HB3 CYS B 245 7.419 -5.426 -5.393 1.00 15.93 H new ATOM 0 HG CYS B 245 9.136 -4.463 -3.387 1.00 18.24 H new ATOM 1798 N PRO B 246 7.916 -4.475 -7.789 1.00 18.63 N ATOM 1799 CA PRO B 246 8.737 -4.942 -8.921 1.00 19.52 C ATOM 1800 C PRO B 246 8.865 -3.840 -9.977 1.00 19.33 C ATOM 1801 O PRO B 246 9.960 -3.328 -10.140 1.00 19.97 O ATOM 1802 CB PRO B 246 7.950 -6.135 -9.469 1.00 18.97 C ATOM 1803 CG PRO B 246 6.485 -5.942 -9.008 1.00 18.88 C ATOM 1804 CD PRO B 246 6.522 -4.972 -7.812 1.00 17.74 C ATOM 1805 OXT PRO B 246 7.867 -3.528 -10.605 1.00 0.00 O ATOM 0 HA PRO B 246 9.754 -5.207 -8.633 1.00 19.52 H new ATOM 0 HB2 PRO B 246 8.013 -6.175 -10.556 1.00 18.97 H new ATOM 0 HB3 PRO B 246 8.355 -7.074 -9.092 1.00 18.97 H new ATOM 0 HG2 PRO B 246 5.875 -5.537 -9.816 1.00 18.88 H new ATOM 0 HG3 PRO B 246 6.041 -6.895 -8.720 1.00 18.88 H new ATOM 0 HD2 PRO B 246 5.811 -4.156 -7.939 1.00 17.74 H new ATOM 0 HD3 PRO B 246 6.264 -5.478 -6.881 1.00 17.74 H new TER 1813 PRO B 246