USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot -57:sc= 0.913 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.783 K(o=0.13,f=-4.7!) USER MOD Set 2.1: A 8 SER OG : rot 146:sc= 0.493 USER MOD Set 2.2: A 11 GLN : amide:sc= 0.154 X(o=0.65,f=0.77) USER MOD Single : A 5 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.63) USER MOD Single : A 10 GLN : amide:sc= -0.0849 K(o=-0.085,f=-4.4!) USER MOD Single : A 13 SER OG : rot 99:sc= 0.719 USER MOD Single : A 14 HIS : no HD1:sc= -0.968 X(o=-0.97,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=0.000191 X(o=0.00019,f=-0.048) USER MOD Single : A 24 TYR OH : rot -165:sc= 0.744 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00495 USER MOD Single : A 29 SER OG : rot -90:sc= 1.29 USER MOD Single : A 31 GLN : amide:sc= -0.225 K(o=-0.23,f=-4.4!) USER MOD Single : A 32 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 40 GLN : amide:sc= -2.22 K(o=-2.2,f=-1.5!) USER MOD Single : A 44 ASN : amide:sc=-0.00801 K(o=-0.008,f=-0.71) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00162) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc=-0.00178 (180deg=-0.0417) USER MOD Single : A 51 MET CE :methyl 146:sc= -0.119 (180deg=-0.943) USER MOD Single : A 52 THR OG1 : rot 5:sc= 0.822 USER MOD Single : A 53 SER OG : rot -150:sc= -2.96! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.318 X(o=0.32,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -0.338 (180deg=-1.91!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 10.987 -0.642 -2.076 1.00 0.00 N ATOM 45 CA VAL A 4 9.665 -1.254 -2.087 1.00 0.00 C ATOM 46 C VAL A 4 9.553 -2.355 -3.109 1.00 0.00 C ATOM 47 O VAL A 4 8.825 -3.316 -2.917 1.00 0.00 O ATOM 48 CB VAL A 4 8.553 -0.213 -2.282 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.756 0.881 -1.305 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.506 0.341 -3.686 1.00 0.00 C ATOM 0 HA VAL A 4 9.531 -1.706 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 4 7.595 -0.707 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.974 1.630 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.714 0.478 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.730 1.342 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.700 1.071 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.456 0.823 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.328 -0.471 -4.392 1.00 0.00 H new ATOM 60 N HIS A 5 10.319 -2.246 -4.168 1.00 0.00 N ATOM 61 CA HIS A 5 10.319 -3.248 -5.207 1.00 0.00 C ATOM 62 C HIS A 5 11.003 -4.538 -4.722 1.00 0.00 C ATOM 63 O HIS A 5 10.890 -5.581 -5.345 1.00 0.00 O ATOM 64 CB HIS A 5 10.946 -2.703 -6.512 1.00 0.00 C ATOM 65 CG HIS A 5 12.273 -2.028 -6.341 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.405 -0.682 -6.091 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.532 -2.528 -6.356 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.682 -0.406 -5.954 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.428 -1.491 -6.109 1.00 0.00 N ATOM 0 H HIS A 5 10.956 -1.466 -4.333 1.00 0.00 H new ATOM 0 HA HIS A 5 9.285 -3.501 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.063 -3.529 -7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.251 -1.996 -6.964 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.797 -3.560 -6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.074 0.578 -5.742 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.445 -1.553 -6.058 1.00 0.00 H new ATOM 77 N GLU A 6 11.696 -4.441 -3.582 1.00 0.00 N ATOM 78 CA GLU A 6 12.349 -5.594 -2.972 1.00 0.00 C ATOM 79 C GLU A 6 11.397 -6.261 -1.993 1.00 0.00 C ATOM 80 O GLU A 6 11.599 -7.412 -1.611 1.00 0.00 O ATOM 81 CB GLU A 6 13.567 -5.186 -2.154 1.00 0.00 C ATOM 82 CG GLU A 6 14.593 -4.323 -2.855 1.00 0.00 C ATOM 83 CD GLU A 6 15.765 -4.062 -1.946 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.702 -3.146 -1.093 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.761 -4.806 -2.013 1.00 0.00 O ATOM 0 H GLU A 6 11.817 -3.570 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 6 12.642 -6.256 -3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.220 -4.653 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.064 -6.092 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.933 -4.817 -3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.140 -3.378 -3.155 1.00 0.00 H new ATOM 92 N TRP A 7 10.380 -5.517 -1.565 1.00 0.00 N ATOM 93 CA TRP A 7 9.448 -5.979 -0.547 1.00 0.00 C ATOM 94 C TRP A 7 8.751 -7.257 -0.945 1.00 0.00 C ATOM 95 O TRP A 7 8.468 -7.488 -2.121 1.00 0.00 O ATOM 96 CB TRP A 7 8.444 -4.892 -0.142 1.00 0.00 C ATOM 97 CG TRP A 7 9.058 -3.747 0.611 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.326 -3.676 1.123 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.418 -2.525 0.972 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.510 -2.479 1.750 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.359 -1.756 1.678 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.144 -2.002 0.760 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.067 -0.497 2.172 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.854 -0.748 1.254 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.813 -0.007 1.952 1.00 0.00 C ATOM 0 H TRP A 7 10.181 -4.580 -1.915 1.00 0.00 H new ATOM 0 HA TRP A 7 10.048 -6.205 0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.960 -4.506 -1.039 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.664 -5.342 0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.071 -4.454 1.042 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.373 -2.174 2.201 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.399 -2.567 0.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.805 0.077 2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.870 -0.331 1.099 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.555 0.973 2.325 1.00 0.00 H new ATOM 116 N SER A 8 8.496 -8.080 0.034 1.00 0.00 N ATOM 117 CA SER A 8 7.938 -9.360 -0.197 1.00 0.00 C ATOM 118 C SER A 8 6.424 -9.293 -0.025 1.00 0.00 C ATOM 119 O SER A 8 5.687 -9.153 -0.987 1.00 0.00 O ATOM 120 CB SER A 8 8.567 -10.337 0.798 1.00 0.00 C ATOM 121 OG SER A 8 9.930 -10.017 0.983 1.00 0.00 O ATOM 0 H SER A 8 8.675 -7.869 1.016 1.00 0.00 H new ATOM 0 HA SER A 8 8.143 -9.699 -1.212 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.040 -10.290 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.470 -11.358 0.430 1.00 0.00 H new ATOM 0 HG SER A 8 10.188 -10.208 1.909 1.00 0.00 H new ATOM 127 N VAL A 9 5.982 -9.330 1.213 1.00 0.00 N ATOM 128 CA VAL A 9 4.584 -9.303 1.560 1.00 0.00 C ATOM 129 C VAL A 9 4.454 -8.544 2.863 1.00 0.00 C ATOM 130 O VAL A 9 3.912 -7.475 2.910 1.00 0.00 O ATOM 131 CB VAL A 9 4.028 -10.751 1.754 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.623 -10.709 2.254 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.062 -11.534 0.463 1.00 0.00 C ATOM 0 H VAL A 9 6.601 -9.381 2.022 1.00 0.00 H new ATOM 0 HA VAL A 9 4.016 -8.827 0.761 1.00 0.00 H new ATOM 0 HB VAL A 9 4.668 -11.246 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.252 -11.726 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.593 -10.187 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.996 -10.183 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.668 -12.536 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.452 -11.028 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.090 -11.604 0.107 1.00 0.00 H new ATOM 143 N GLN A 10 5.071 -9.070 3.895 1.00 0.00 N ATOM 144 CA GLN A 10 5.005 -8.485 5.232 1.00 0.00 C ATOM 145 C GLN A 10 5.722 -7.130 5.290 1.00 0.00 C ATOM 146 O GLN A 10 5.474 -6.323 6.167 1.00 0.00 O ATOM 147 CB GLN A 10 5.553 -9.467 6.301 1.00 0.00 C ATOM 148 CG GLN A 10 7.064 -9.791 6.251 1.00 0.00 C ATOM 149 CD GLN A 10 7.552 -10.424 4.946 1.00 0.00 C ATOM 150 OE1 GLN A 10 6.812 -11.112 4.238 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.782 -10.194 4.617 1.00 0.00 N ATOM 0 H GLN A 10 5.636 -9.917 3.841 1.00 0.00 H new ATOM 0 HA GLN A 10 3.955 -8.303 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.328 -9.056 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.003 -10.404 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.622 -8.870 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.302 -10.465 7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.373 -9.622 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.161 -10.585 3.754 1.00 0.00 H new ATOM 160 N GLN A 11 6.563 -6.883 4.301 1.00 0.00 N ATOM 161 CA GLN A 11 7.314 -5.645 4.216 1.00 0.00 C ATOM 162 C GLN A 11 6.455 -4.507 3.651 1.00 0.00 C ATOM 163 O GLN A 11 6.765 -3.341 3.839 1.00 0.00 O ATOM 164 CB GLN A 11 8.578 -5.830 3.371 1.00 0.00 C ATOM 165 CG GLN A 11 9.545 -6.869 3.905 1.00 0.00 C ATOM 166 CD GLN A 11 10.889 -6.856 3.193 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.796 -6.137 3.600 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.063 -7.668 2.170 1.00 0.00 N ATOM 0 H GLN A 11 6.744 -7.534 3.537 1.00 0.00 H new ATOM 0 HA GLN A 11 7.611 -5.372 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.285 -6.110 2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.095 -4.873 3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.703 -6.696 4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.098 -7.858 3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.294 -8.256 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.967 -7.708 1.699 1.00 0.00 H new ATOM 177 N VAL A 12 5.347 -4.853 3.004 1.00 0.00 N ATOM 178 CA VAL A 12 4.479 -3.847 2.386 1.00 0.00 C ATOM 179 C VAL A 12 3.695 -3.112 3.489 1.00 0.00 C ATOM 180 O VAL A 12 3.268 -1.953 3.332 1.00 0.00 O ATOM 181 CB VAL A 12 3.501 -4.515 1.352 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.279 -5.149 1.987 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.119 -3.568 0.246 1.00 0.00 C ATOM 0 H VAL A 12 5.027 -5.815 2.892 1.00 0.00 H new ATOM 0 HA VAL A 12 5.090 -3.128 1.841 1.00 0.00 H new ATOM 0 HB VAL A 12 4.066 -5.336 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.652 -5.589 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.593 -5.926 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.712 -4.388 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.443 -4.070 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.622 -2.695 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.015 -3.252 -0.288 1.00 0.00 H new ATOM 193 N SER A 13 3.587 -3.778 4.632 1.00 0.00 N ATOM 194 CA SER A 13 2.854 -3.290 5.762 1.00 0.00 C ATOM 195 C SER A 13 3.561 -2.097 6.397 1.00 0.00 C ATOM 196 O SER A 13 2.906 -1.231 6.977 1.00 0.00 O ATOM 197 CB SER A 13 2.718 -4.415 6.770 1.00 0.00 C ATOM 198 OG SER A 13 2.745 -5.670 6.095 1.00 0.00 O ATOM 0 H SER A 13 4.020 -4.688 4.788 1.00 0.00 H new ATOM 0 HA SER A 13 1.869 -2.956 5.437 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.528 -4.365 7.497 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.785 -4.309 7.324 1.00 0.00 H new ATOM 0 HG SER A 13 3.645 -6.054 6.155 1.00 0.00 H new ATOM 204 N HIS A 14 4.889 -2.033 6.231 1.00 0.00 N ATOM 205 CA HIS A 14 5.702 -0.964 6.831 1.00 0.00 C ATOM 206 C HIS A 14 5.277 0.380 6.267 1.00 0.00 C ATOM 207 O HIS A 14 5.326 1.403 6.947 1.00 0.00 O ATOM 208 CB HIS A 14 7.208 -1.163 6.567 1.00 0.00 C ATOM 209 CG HIS A 14 7.794 -2.488 6.991 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.464 -3.162 8.147 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.703 -3.269 6.355 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.164 -4.302 8.178 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.937 -4.416 7.105 1.00 0.00 N ATOM 0 H HIS A 14 5.424 -2.709 5.686 1.00 0.00 H new ATOM 0 HA HIS A 14 5.539 -0.997 7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.387 -1.036 5.499 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.752 -0.369 7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.173 -3.036 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.107 -5.033 8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.569 -5.183 6.878 1.00 0.00 H new ATOM 221 N TRP A 15 4.860 0.365 5.021 1.00 0.00 N ATOM 222 CA TRP A 15 4.348 1.542 4.397 1.00 0.00 C ATOM 223 C TRP A 15 2.961 1.834 4.931 1.00 0.00 C ATOM 224 O TRP A 15 2.756 2.863 5.538 1.00 0.00 O ATOM 225 CB TRP A 15 4.351 1.402 2.868 1.00 0.00 C ATOM 226 CG TRP A 15 3.509 2.423 2.163 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.722 3.768 2.071 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.310 2.161 1.451 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.715 4.352 1.356 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.835 3.384 0.957 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.591 1.003 1.185 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.669 3.471 0.215 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.442 1.100 0.446 1.00 0.00 C ATOM 234 CH2 TRP A 15 -0.001 2.315 -0.023 1.00 0.00 C ATOM 0 H TRP A 15 4.870 -0.462 4.424 1.00 0.00 H new ATOM 0 HA TRP A 15 4.995 2.385 4.637 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.377 1.480 2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.995 0.406 2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.563 4.293 2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.633 5.348 1.153 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.931 0.046 1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.308 4.418 -0.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.126 0.208 0.228 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.913 2.350 -0.600 1.00 0.00 H new ATOM 245 N LEU A 16 2.048 0.872 4.757 1.00 0.00 N ATOM 246 CA LEU A 16 0.627 0.992 5.149 1.00 0.00 C ATOM 247 C LEU A 16 0.456 1.523 6.568 1.00 0.00 C ATOM 248 O LEU A 16 -0.296 2.470 6.796 1.00 0.00 O ATOM 249 CB LEU A 16 -0.044 -0.364 5.030 1.00 0.00 C ATOM 250 CG LEU A 16 -0.206 -0.928 3.611 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.430 -2.409 3.660 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.388 -0.286 2.917 1.00 0.00 C ATOM 0 H LEU A 16 2.273 -0.028 4.334 1.00 0.00 H new ATOM 0 HA LEU A 16 0.161 1.711 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.529 -1.081 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.032 -0.296 5.485 1.00 0.00 H new ATOM 0 HG LEU A 16 0.708 -0.710 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.543 -2.794 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.423 -2.890 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.333 -2.622 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.488 -0.698 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.297 -0.488 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.232 0.791 2.854 1.00 0.00 H new ATOM 264 N VAL A 17 1.174 0.944 7.503 1.00 0.00 N ATOM 265 CA VAL A 17 1.102 1.345 8.904 1.00 0.00 C ATOM 266 C VAL A 17 1.514 2.828 9.078 1.00 0.00 C ATOM 267 O VAL A 17 0.954 3.546 9.914 1.00 0.00 O ATOM 268 CB VAL A 17 1.986 0.417 9.790 1.00 0.00 C ATOM 269 CG1 VAL A 17 2.046 0.892 11.239 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.482 -1.020 9.744 1.00 0.00 C ATOM 0 H VAL A 17 1.827 0.181 7.322 1.00 0.00 H new ATOM 0 HA VAL A 17 0.067 1.243 9.231 1.00 0.00 H new ATOM 0 HB VAL A 17 2.994 0.460 9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.673 0.214 11.818 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.467 1.897 11.275 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.041 0.905 11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.116 -1.648 10.370 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.457 -1.058 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.513 -1.384 8.717 1.00 0.00 H new ATOM 280 N GLY A 18 2.382 3.295 8.195 1.00 0.00 N ATOM 281 CA GLY A 18 2.912 4.633 8.281 1.00 0.00 C ATOM 282 C GLY A 18 1.883 5.685 7.927 1.00 0.00 C ATOM 283 O GLY A 18 2.017 6.836 8.312 1.00 0.00 O ATOM 0 H GLY A 18 2.733 2.755 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.277 4.812 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.767 4.726 7.612 1.00 0.00 H new ATOM 287 N LEU A 19 0.863 5.301 7.187 1.00 0.00 N ATOM 288 CA LEU A 19 -0.199 6.230 6.837 1.00 0.00 C ATOM 289 C LEU A 19 -1.531 5.838 7.484 1.00 0.00 C ATOM 290 O LEU A 19 -2.575 6.317 7.070 1.00 0.00 O ATOM 291 CB LEU A 19 -0.373 6.377 5.305 1.00 0.00 C ATOM 292 CG LEU A 19 -0.585 5.105 4.495 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.335 5.397 3.230 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.721 4.492 4.129 1.00 0.00 C ATOM 0 H LEU A 19 0.744 4.358 6.817 1.00 0.00 H new ATOM 0 HA LEU A 19 0.106 7.199 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.223 7.036 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.510 6.882 4.913 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.160 4.417 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.474 4.473 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.308 5.824 3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.769 6.107 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.548 3.584 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.300 5.197 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.274 4.245 5.035 1.00 0.00 H new ATOM 306 N SER A 20 -1.471 4.986 8.520 1.00 0.00 N ATOM 307 CA SER A 20 -2.667 4.493 9.253 1.00 0.00 C ATOM 308 C SER A 20 -3.522 3.558 8.395 1.00 0.00 C ATOM 309 O SER A 20 -4.673 3.273 8.706 1.00 0.00 O ATOM 310 CB SER A 20 -3.495 5.656 9.839 1.00 0.00 C ATOM 311 OG SER A 20 -2.689 6.466 10.701 1.00 0.00 O ATOM 0 H SER A 20 -0.593 4.614 8.880 1.00 0.00 H new ATOM 0 HA SER A 20 -2.304 3.902 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.898 6.266 9.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.346 5.260 10.394 1.00 0.00 H new ATOM 0 HG SER A 20 -3.230 7.199 11.062 1.00 0.00 H new ATOM 317 N LEU A 21 -2.901 3.011 7.383 1.00 0.00 N ATOM 318 CA LEU A 21 -3.524 2.085 6.447 1.00 0.00 C ATOM 319 C LEU A 21 -3.176 0.662 6.820 1.00 0.00 C ATOM 320 O LEU A 21 -3.307 -0.246 6.011 1.00 0.00 O ATOM 321 CB LEU A 21 -3.037 2.365 5.028 1.00 0.00 C ATOM 322 CG LEU A 21 -3.838 3.330 4.136 1.00 0.00 C ATOM 323 CD1 LEU A 21 -5.002 2.625 3.529 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.322 4.559 4.894 1.00 0.00 C ATOM 0 H LEU A 21 -1.920 3.196 7.173 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.605 2.220 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.021 2.752 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.978 1.409 4.507 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.162 3.673 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.560 3.319 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.647 1.792 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.652 2.248 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.881 5.206 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.967 4.249 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.465 5.103 5.291 1.00 0.00 H new ATOM 336 N ASP A 22 -2.733 0.471 8.066 1.00 0.00 N ATOM 337 CA ASP A 22 -2.439 -0.862 8.644 1.00 0.00 C ATOM 338 C ASP A 22 -3.627 -1.813 8.476 1.00 0.00 C ATOM 339 O ASP A 22 -3.467 -3.020 8.407 1.00 0.00 O ATOM 340 CB ASP A 22 -2.101 -0.738 10.134 1.00 0.00 C ATOM 341 CG ASP A 22 -3.269 -0.255 10.958 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.632 0.928 10.847 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.854 -1.049 11.719 1.00 0.00 O ATOM 0 H ASP A 22 -2.564 1.239 8.716 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.582 -1.270 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.773 -1.707 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.265 -0.049 10.257 1.00 0.00 H new ATOM 348 N GLN A 23 -4.793 -1.236 8.365 1.00 0.00 N ATOM 349 CA GLN A 23 -6.032 -1.950 8.166 1.00 0.00 C ATOM 350 C GLN A 23 -6.045 -2.684 6.815 1.00 0.00 C ATOM 351 O GLN A 23 -6.736 -3.681 6.639 1.00 0.00 O ATOM 352 CB GLN A 23 -7.162 -0.950 8.253 1.00 0.00 C ATOM 353 CG GLN A 23 -7.220 0.045 7.107 1.00 0.00 C ATOM 354 CD GLN A 23 -7.864 1.313 7.516 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.082 1.424 7.502 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.061 2.302 7.811 1.00 0.00 N ATOM 0 H GLN A 23 -4.914 -0.224 8.412 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.147 -2.714 8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.107 -1.493 8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.071 -0.400 9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.210 0.248 6.750 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.771 -0.391 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.051 2.157 7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.444 3.218 8.044 1.00 0.00 H new ATOM 365 N TYR A 24 -5.247 -2.204 5.890 1.00 0.00 N ATOM 366 CA TYR A 24 -5.161 -2.789 4.580 1.00 0.00 C ATOM 367 C TYR A 24 -4.152 -3.921 4.559 1.00 0.00 C ATOM 368 O TYR A 24 -4.228 -4.802 3.707 1.00 0.00 O ATOM 369 CB TYR A 24 -4.833 -1.733 3.516 1.00 0.00 C ATOM 370 CG TYR A 24 -6.030 -1.222 2.721 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.871 -0.216 3.192 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.293 -1.749 1.472 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.938 0.240 2.416 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.346 -1.306 0.705 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.163 -0.317 1.171 1.00 0.00 C ATOM 376 OH TYR A 24 -9.209 0.127 0.378 1.00 0.00 O ATOM 0 H TYR A 24 -4.640 -1.396 6.028 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.139 -3.205 4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.352 -0.885 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.107 -2.154 2.820 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.696 0.215 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.655 -2.530 1.087 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.584 1.023 2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.526 -1.741 -0.267 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.370 -0.518 -0.342 1.00 0.00 H new ATOM 386 N VAL A 25 -3.241 -3.912 5.538 1.00 0.00 N ATOM 387 CA VAL A 25 -2.183 -4.938 5.679 1.00 0.00 C ATOM 388 C VAL A 25 -2.764 -6.331 5.686 1.00 0.00 C ATOM 389 O VAL A 25 -2.236 -7.219 5.023 1.00 0.00 O ATOM 390 CB VAL A 25 -1.297 -4.747 6.961 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.303 -5.878 7.126 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.594 -3.417 6.922 1.00 0.00 C ATOM 0 H VAL A 25 -3.210 -3.193 6.261 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.541 -4.808 4.808 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.958 -4.765 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.292 -5.711 8.024 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.839 -6.823 7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.354 -5.915 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.016 -3.301 7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.045 -3.369 6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.332 -2.616 6.880 1.00 0.00 H new ATOM 402 N SER A 26 -3.881 -6.495 6.369 1.00 0.00 N ATOM 403 CA SER A 26 -4.543 -7.777 6.514 1.00 0.00 C ATOM 404 C SER A 26 -4.819 -8.448 5.150 1.00 0.00 C ATOM 405 O SER A 26 -4.682 -9.662 5.009 1.00 0.00 O ATOM 406 CB SER A 26 -5.828 -7.571 7.299 1.00 0.00 C ATOM 407 OG SER A 26 -5.546 -6.885 8.521 1.00 0.00 O ATOM 0 H SER A 26 -4.360 -5.731 6.845 1.00 0.00 H new ATOM 0 HA SER A 26 -3.884 -8.456 7.055 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.539 -6.997 6.705 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.293 -8.534 7.511 1.00 0.00 H new ATOM 0 HG SER A 26 -6.378 -6.754 9.022 1.00 0.00 H new ATOM 413 N GLU A 27 -5.131 -7.653 4.144 1.00 0.00 N ATOM 414 CA GLU A 27 -5.410 -8.202 2.838 1.00 0.00 C ATOM 415 C GLU A 27 -4.227 -7.990 1.895 1.00 0.00 C ATOM 416 O GLU A 27 -3.995 -8.801 1.010 1.00 0.00 O ATOM 417 CB GLU A 27 -6.693 -7.626 2.273 1.00 0.00 C ATOM 418 CG GLU A 27 -7.120 -8.187 0.918 1.00 0.00 C ATOM 419 CD GLU A 27 -7.468 -9.647 0.928 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.287 -10.063 1.775 1.00 0.00 O ATOM 421 OE2 GLU A 27 -6.992 -10.390 0.043 1.00 0.00 O ATOM 0 H GLU A 27 -5.196 -6.637 4.208 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.555 -9.277 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.496 -7.800 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.577 -6.546 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.983 -7.624 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.315 -8.024 0.202 1.00 0.00 H new ATOM 428 N PHE A 28 -3.449 -6.919 2.114 1.00 0.00 N ATOM 429 CA PHE A 28 -2.234 -6.661 1.312 1.00 0.00 C ATOM 430 C PHE A 28 -1.297 -7.861 1.386 1.00 0.00 C ATOM 431 O PHE A 28 -0.630 -8.224 0.419 1.00 0.00 O ATOM 432 CB PHE A 28 -1.517 -5.397 1.807 1.00 0.00 C ATOM 433 CG PHE A 28 -1.747 -4.159 0.962 1.00 0.00 C ATOM 434 CD1 PHE A 28 -2.991 -3.563 0.874 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.697 -3.592 0.258 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.176 -2.426 0.098 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.882 -2.459 -0.513 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.123 -1.880 -0.589 1.00 0.00 C ATOM 0 H PHE A 28 -3.634 -6.220 2.833 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.529 -6.504 0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.842 -5.189 2.826 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.446 -5.597 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.826 -3.985 1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.283 -4.043 0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.153 -1.970 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.051 -2.031 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.270 -0.995 -1.190 1.00 0.00 H new ATOM 448 N SER A 29 -1.320 -8.505 2.522 1.00 0.00 N ATOM 449 CA SER A 29 -0.530 -9.663 2.764 1.00 0.00 C ATOM 450 C SER A 29 -1.173 -10.926 2.166 1.00 0.00 C ATOM 451 O SER A 29 -0.478 -11.826 1.686 1.00 0.00 O ATOM 452 CB SER A 29 -0.296 -9.808 4.261 1.00 0.00 C ATOM 453 OG SER A 29 -1.519 -9.721 4.976 1.00 0.00 O ATOM 0 H SER A 29 -1.901 -8.228 3.313 1.00 0.00 H new ATOM 0 HA SER A 29 0.432 -9.543 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.183 -10.765 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.386 -9.030 4.603 1.00 0.00 H new ATOM 0 HG SER A 29 -1.691 -8.787 5.218 1.00 0.00 H new ATOM 459 N ALA A 30 -2.495 -10.950 2.132 1.00 0.00 N ATOM 460 CA ALA A 30 -3.245 -12.103 1.655 1.00 0.00 C ATOM 461 C ALA A 30 -3.028 -12.297 0.176 1.00 0.00 C ATOM 462 O ALA A 30 -2.735 -13.400 -0.301 1.00 0.00 O ATOM 463 CB ALA A 30 -4.719 -11.933 1.955 1.00 0.00 C ATOM 0 H ALA A 30 -3.080 -10.171 2.434 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.885 -12.990 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.267 -12.803 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.862 -11.836 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.091 -11.037 1.458 1.00 0.00 H new ATOM 469 N GLN A 31 -3.108 -11.219 -0.544 1.00 0.00 N ATOM 470 CA GLN A 31 -2.920 -11.268 -1.967 1.00 0.00 C ATOM 471 C GLN A 31 -1.505 -10.960 -2.380 1.00 0.00 C ATOM 472 O GLN A 31 -1.241 -10.771 -3.570 1.00 0.00 O ATOM 473 CB GLN A 31 -3.944 -10.430 -2.726 1.00 0.00 C ATOM 474 CG GLN A 31 -4.348 -9.152 -2.051 1.00 0.00 C ATOM 475 CD GLN A 31 -5.458 -8.442 -2.802 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.212 -7.630 -3.700 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.683 -8.721 -2.429 1.00 0.00 N ATOM 0 H GLN A 31 -3.303 -10.290 -0.170 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.101 -12.304 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.538 -10.191 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.836 -11.035 -2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.677 -9.367 -1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.483 -8.493 -1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.848 -9.397 -1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.472 -8.262 -2.884 1.00 0.00 H new ATOM 486 N ASN A 32 -0.576 -10.993 -1.398 1.00 0.00 N ATOM 487 CA ASN A 32 0.850 -10.768 -1.614 1.00 0.00 C ATOM 488 C ASN A 32 1.142 -9.577 -2.481 1.00 0.00 C ATOM 489 O ASN A 32 1.656 -9.681 -3.601 1.00 0.00 O ATOM 490 CB ASN A 32 1.658 -12.040 -2.003 1.00 0.00 C ATOM 491 CG ASN A 32 1.074 -12.839 -3.143 1.00 0.00 C ATOM 492 OD1 ASN A 32 1.383 -12.623 -4.310 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.206 -13.764 -2.809 1.00 0.00 N ATOM 0 H ASN A 32 -0.811 -11.180 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 32 1.233 -10.509 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.672 -11.741 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.735 -12.685 -1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.237 -14.332 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.026 -13.915 -1.827 1.00 0.00 H new ATOM 500 N ILE A 33 0.712 -8.458 -1.995 1.00 0.00 N ATOM 501 CA ILE A 33 0.955 -7.215 -2.642 1.00 0.00 C ATOM 502 C ILE A 33 2.311 -6.741 -2.191 1.00 0.00 C ATOM 503 O ILE A 33 2.539 -6.566 -1.005 1.00 0.00 O ATOM 504 CB ILE A 33 -0.123 -6.147 -2.264 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.545 -6.646 -2.601 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.152 -4.809 -2.954 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.788 -6.943 -4.072 1.00 0.00 C ATOM 0 H ILE A 33 0.177 -8.383 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 33 0.911 -7.349 -3.723 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.062 -5.991 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.743 -7.550 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.265 -5.896 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.615 -4.089 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.130 -4.437 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.138 -4.947 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.813 -7.287 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.628 -6.038 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.098 -7.718 -4.406 1.00 0.00 H new ATOM 519 N SER A 34 3.220 -6.614 -3.102 1.00 0.00 N ATOM 520 CA SER A 34 4.508 -6.116 -2.757 1.00 0.00 C ATOM 521 C SER A 34 4.605 -4.699 -3.293 1.00 0.00 C ATOM 522 O SER A 34 3.592 -4.127 -3.723 1.00 0.00 O ATOM 523 CB SER A 34 5.601 -7.003 -3.367 1.00 0.00 C ATOM 524 OG SER A 34 5.594 -6.941 -4.785 1.00 0.00 O ATOM 0 H SER A 34 3.094 -6.848 -4.087 1.00 0.00 H new ATOM 0 HA SER A 34 4.648 -6.122 -1.676 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.576 -6.689 -2.993 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.454 -8.034 -3.047 1.00 0.00 H new ATOM 0 HG SER A 34 4.710 -7.200 -5.119 1.00 0.00 H new ATOM 530 N GLY A 35 5.806 -4.155 -3.333 1.00 0.00 N ATOM 531 CA GLY A 35 6.015 -2.826 -3.849 1.00 0.00 C ATOM 532 C GLY A 35 5.671 -2.753 -5.314 1.00 0.00 C ATOM 533 O GLY A 35 5.259 -1.707 -5.808 1.00 0.00 O ATOM 0 H GLY A 35 6.654 -4.621 -3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.403 -2.116 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.055 -2.535 -3.701 1.00 0.00 H new ATOM 537 N GLU A 36 5.772 -3.904 -5.979 1.00 0.00 N ATOM 538 CA GLU A 36 5.469 -4.047 -7.386 1.00 0.00 C ATOM 539 C GLU A 36 4.033 -3.603 -7.642 1.00 0.00 C ATOM 540 O GLU A 36 3.758 -2.827 -8.555 1.00 0.00 O ATOM 541 CB GLU A 36 5.631 -5.512 -7.788 1.00 0.00 C ATOM 542 CG GLU A 36 5.544 -5.752 -9.274 1.00 0.00 C ATOM 543 CD GLU A 36 6.713 -5.163 -10.009 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.706 -3.963 -10.309 1.00 0.00 O ATOM 545 OE2 GLU A 36 7.670 -5.905 -10.304 1.00 0.00 O ATOM 0 H GLU A 36 6.073 -4.773 -5.539 1.00 0.00 H new ATOM 0 HA GLU A 36 6.148 -3.430 -7.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.594 -5.873 -7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.862 -6.102 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.498 -6.824 -9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.620 -5.320 -9.657 1.00 0.00 H new ATOM 552 N GLN A 37 3.133 -4.047 -6.791 1.00 0.00 N ATOM 553 CA GLN A 37 1.739 -3.705 -6.945 1.00 0.00 C ATOM 554 C GLN A 37 1.332 -2.523 -6.086 1.00 0.00 C ATOM 555 O GLN A 37 0.212 -2.043 -6.179 1.00 0.00 O ATOM 556 CB GLN A 37 0.789 -4.910 -6.766 1.00 0.00 C ATOM 557 CG GLN A 37 1.317 -6.110 -5.994 1.00 0.00 C ATOM 558 CD GLN A 37 2.339 -6.962 -6.737 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.179 -7.580 -6.119 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.291 -6.971 -8.046 1.00 0.00 N ATOM 0 H GLN A 37 3.342 -4.643 -5.990 1.00 0.00 H new ATOM 0 HA GLN A 37 1.631 -3.392 -7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.112 -4.557 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.489 -5.252 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.768 -5.755 -5.067 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.474 -6.743 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.570 -6.439 -8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.975 -7.510 -8.578 1.00 0.00 H new ATOM 569 N LEU A 38 2.266 -2.039 -5.298 1.00 0.00 N ATOM 570 CA LEU A 38 2.053 -0.907 -4.410 1.00 0.00 C ATOM 571 C LEU A 38 2.203 0.377 -5.222 1.00 0.00 C ATOM 572 O LEU A 38 1.334 1.232 -5.229 1.00 0.00 O ATOM 573 CB LEU A 38 3.124 -0.965 -3.300 1.00 0.00 C ATOM 574 CG LEU A 38 2.902 -0.185 -1.996 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.060 -0.433 -1.063 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.768 1.294 -2.226 1.00 0.00 C ATOM 0 H LEU A 38 3.210 -2.423 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 38 1.060 -0.934 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.263 -2.013 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.062 -0.618 -3.733 1.00 0.00 H new ATOM 0 HG LEU A 38 1.967 -0.539 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.905 0.119 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.128 -1.498 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.985 -0.100 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.613 1.798 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.677 1.673 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.917 1.485 -2.880 1.00 0.00 H new ATOM 588 N LEU A 39 3.298 0.464 -5.936 1.00 0.00 N ATOM 589 CA LEU A 39 3.656 1.649 -6.723 1.00 0.00 C ATOM 590 C LEU A 39 2.633 1.961 -7.800 1.00 0.00 C ATOM 591 O LEU A 39 2.443 3.117 -8.171 1.00 0.00 O ATOM 592 CB LEU A 39 5.007 1.419 -7.363 1.00 0.00 C ATOM 593 CG LEU A 39 6.169 1.249 -6.404 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.348 0.643 -7.140 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.535 2.600 -5.784 1.00 0.00 C ATOM 0 H LEU A 39 3.984 -0.289 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 39 3.684 2.504 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.945 0.530 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.224 2.260 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 39 5.885 0.575 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.183 0.521 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.065 -0.329 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.645 1.301 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.371 2.470 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.819 3.297 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.676 2.996 -5.241 1.00 0.00 H new ATOM 607 N GLN A 40 2.001 0.944 -8.306 1.00 0.00 N ATOM 608 CA GLN A 40 1.009 1.131 -9.357 1.00 0.00 C ATOM 609 C GLN A 40 -0.450 1.030 -8.848 1.00 0.00 C ATOM 610 O GLN A 40 -1.375 0.960 -9.655 1.00 0.00 O ATOM 611 CB GLN A 40 1.297 0.179 -10.544 1.00 0.00 C ATOM 612 CG GLN A 40 1.184 -1.315 -10.243 1.00 0.00 C ATOM 613 CD GLN A 40 -0.220 -1.866 -10.438 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.973 -1.399 -11.275 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.574 -2.852 -9.682 1.00 0.00 N ATOM 0 H GLN A 40 2.144 -0.024 -8.019 1.00 0.00 H new ATOM 0 HA GLN A 40 1.105 2.156 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.608 0.420 -11.354 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.303 0.381 -10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.873 -1.861 -10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.498 -1.496 -9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.077 -3.223 -8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.504 -3.259 -9.777 1.00 0.00 H new ATOM 624 N LEU A 41 -0.645 1.072 -7.513 1.00 0.00 N ATOM 625 CA LEU A 41 -1.980 1.002 -6.898 1.00 0.00 C ATOM 626 C LEU A 41 -3.002 1.932 -7.544 1.00 0.00 C ATOM 627 O LEU A 41 -2.681 3.033 -8.030 1.00 0.00 O ATOM 628 CB LEU A 41 -1.929 1.270 -5.406 1.00 0.00 C ATOM 629 CG LEU A 41 -1.466 0.127 -4.529 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.272 0.638 -3.146 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.494 -0.992 -4.510 1.00 0.00 C ATOM 0 H LEU A 41 0.115 1.155 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.312 -0.021 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.269 2.120 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.925 1.569 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.532 -0.270 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.938 -0.175 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.521 1.428 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.214 1.036 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.138 -1.802 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.438 -0.612 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.644 -1.366 -5.523 1.00 0.00 H new ATOM 643 N ASP A 42 -4.216 1.495 -7.523 1.00 0.00 N ATOM 644 CA ASP A 42 -5.318 2.173 -8.150 1.00 0.00 C ATOM 645 C ASP A 42 -6.510 1.964 -7.254 1.00 0.00 C ATOM 646 O ASP A 42 -6.448 1.088 -6.374 1.00 0.00 O ATOM 647 CB ASP A 42 -5.573 1.517 -9.526 1.00 0.00 C ATOM 648 CG ASP A 42 -6.644 2.195 -10.352 1.00 0.00 C ATOM 649 OD1 ASP A 42 -7.832 1.974 -10.110 1.00 0.00 O ATOM 650 OD2 ASP A 42 -6.310 2.944 -11.273 1.00 0.00 O ATOM 0 H ASP A 42 -4.485 0.629 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.123 3.236 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.642 1.515 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.855 0.475 -9.372 1.00 0.00 H new ATOM 655 N GLY A 43 -7.583 2.733 -7.453 1.00 0.00 N ATOM 656 CA GLY A 43 -8.800 2.540 -6.699 1.00 0.00 C ATOM 657 C GLY A 43 -9.290 1.136 -6.884 1.00 0.00 C ATOM 658 O GLY A 43 -9.726 0.510 -5.940 1.00 0.00 O ATOM 0 H GLY A 43 -7.623 3.492 -8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.620 2.736 -5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.560 3.248 -7.030 1.00 0.00 H new ATOM 662 N ASN A 44 -9.141 0.634 -8.113 1.00 0.00 N ATOM 663 CA ASN A 44 -9.509 -0.720 -8.482 1.00 0.00 C ATOM 664 C ASN A 44 -8.854 -1.721 -7.585 1.00 0.00 C ATOM 665 O ASN A 44 -9.517 -2.614 -7.060 1.00 0.00 O ATOM 666 CB ASN A 44 -9.154 -1.005 -9.933 1.00 0.00 C ATOM 667 CG ASN A 44 -10.025 -0.256 -10.932 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.203 0.046 -10.676 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.462 0.067 -12.065 1.00 0.00 N ATOM 0 H ASN A 44 -8.754 1.173 -8.887 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.589 -0.809 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.111 -0.739 -10.102 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.244 -2.076 -10.117 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.991 0.581 -12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.493 -0.195 -12.246 1.00 0.00 H new ATOM 676 N LYS A 45 -7.565 -1.562 -7.382 1.00 0.00 N ATOM 677 CA LYS A 45 -6.831 -2.440 -6.500 1.00 0.00 C ATOM 678 C LYS A 45 -7.333 -2.305 -5.078 1.00 0.00 C ATOM 679 O LYS A 45 -7.640 -3.281 -4.452 1.00 0.00 O ATOM 680 CB LYS A 45 -5.326 -2.196 -6.552 1.00 0.00 C ATOM 681 CG LYS A 45 -4.767 -2.178 -7.949 1.00 0.00 C ATOM 682 CD LYS A 45 -3.311 -2.641 -7.984 1.00 0.00 C ATOM 683 CE LYS A 45 -3.115 -4.087 -7.485 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.820 -5.093 -8.311 1.00 0.00 N ATOM 0 H LYS A 45 -7.003 -0.831 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.006 -3.457 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.104 -1.245 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.820 -2.972 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.369 -2.823 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.837 -1.169 -8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.937 -2.563 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.709 -1.969 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.050 -4.319 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.468 -4.160 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.634 -6.044 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.843 -4.905 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.479 -5.038 -9.292 1.00 0.00 H new ATOM 698 N LEU A 46 -7.498 -1.072 -4.618 1.00 0.00 N ATOM 699 CA LEU A 46 -7.967 -0.782 -3.243 1.00 0.00 C ATOM 700 C LEU A 46 -9.345 -1.411 -2.982 1.00 0.00 C ATOM 701 O LEU A 46 -9.731 -1.692 -1.820 1.00 0.00 O ATOM 702 CB LEU A 46 -8.045 0.725 -3.038 1.00 0.00 C ATOM 703 CG LEU A 46 -6.744 1.498 -3.263 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.971 2.989 -3.113 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.648 1.015 -2.319 1.00 0.00 C ATOM 0 H LEU A 46 -7.315 -0.237 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.256 -1.215 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.804 1.125 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.388 0.917 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.412 1.307 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.032 3.518 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.707 3.320 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.337 3.202 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.735 1.582 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.966 1.162 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.458 -0.044 -2.493 1.00 0.00 H new ATOM 717 N LYS A 47 -10.074 -1.605 -4.053 1.00 0.00 N ATOM 718 CA LYS A 47 -11.359 -2.236 -4.024 1.00 0.00 C ATOM 719 C LYS A 47 -11.208 -3.758 -4.042 1.00 0.00 C ATOM 720 O LYS A 47 -11.929 -4.461 -3.352 1.00 0.00 O ATOM 721 CB LYS A 47 -12.212 -1.743 -5.194 1.00 0.00 C ATOM 722 CG LYS A 47 -12.527 -0.251 -5.132 1.00 0.00 C ATOM 723 CD LYS A 47 -12.950 0.314 -6.490 1.00 0.00 C ATOM 724 CE LYS A 47 -14.215 -0.348 -7.041 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.385 -0.185 -6.151 1.00 0.00 N ATOM 0 H LYS A 47 -9.779 -1.320 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.868 -1.967 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.693 -1.958 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.147 -2.303 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.323 -0.081 -4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.650 0.288 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.119 1.387 -6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.136 0.181 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.446 0.078 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.026 -1.411 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.230 -0.578 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.214 -0.687 -5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.535 0.826 -5.957 1.00 0.00 H new ATOM 739 N ALA A 48 -10.222 -4.243 -4.781 1.00 0.00 N ATOM 740 CA ALA A 48 -9.944 -5.679 -4.906 1.00 0.00 C ATOM 741 C ALA A 48 -9.335 -6.237 -3.618 1.00 0.00 C ATOM 742 O ALA A 48 -9.306 -7.450 -3.390 1.00 0.00 O ATOM 743 CB ALA A 48 -9.037 -5.947 -6.091 1.00 0.00 C ATOM 0 H ALA A 48 -9.584 -3.654 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.891 -6.191 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.843 -7.017 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.520 -5.601 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.095 -5.416 -5.955 1.00 0.00 H new ATOM 749 N LEU A 49 -8.855 -5.340 -2.774 1.00 0.00 N ATOM 750 CA LEU A 49 -8.393 -5.692 -1.448 1.00 0.00 C ATOM 751 C LEU A 49 -9.610 -5.993 -0.554 1.00 0.00 C ATOM 752 O LEU A 49 -9.479 -6.369 0.603 1.00 0.00 O ATOM 753 CB LEU A 49 -7.549 -4.548 -0.831 1.00 0.00 C ATOM 754 CG LEU A 49 -6.013 -4.495 -1.121 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.306 -5.688 -0.573 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.681 -4.353 -2.582 1.00 0.00 C ATOM 0 H LEU A 49 -8.776 -4.347 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.758 -6.575 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.979 -3.604 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.678 -4.591 0.250 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.664 -3.596 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.241 -5.614 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.449 -5.732 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.710 -6.592 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.599 -4.323 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.087 -5.202 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.117 -3.431 -2.966 1.00 0.00 H new ATOM 768 N GLY A 50 -10.809 -5.746 -1.096 1.00 0.00 N ATOM 769 CA GLY A 50 -12.052 -6.028 -0.398 1.00 0.00 C ATOM 770 C GLY A 50 -12.281 -5.105 0.764 1.00 0.00 C ATOM 771 O GLY A 50 -13.244 -5.252 1.506 1.00 0.00 O ATOM 0 H GLY A 50 -10.936 -5.347 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.885 -5.942 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.040 -7.058 -0.043 1.00 0.00 H new ATOM 775 N MET A 51 -11.404 -4.152 0.917 1.00 0.00 N ATOM 776 CA MET A 51 -11.481 -3.257 2.026 1.00 0.00 C ATOM 777 C MET A 51 -12.375 -2.096 1.642 1.00 0.00 C ATOM 778 O MET A 51 -13.342 -1.796 2.330 1.00 0.00 O ATOM 779 CB MET A 51 -10.085 -2.808 2.431 1.00 0.00 C ATOM 780 CG MET A 51 -9.969 -2.356 3.879 1.00 0.00 C ATOM 781 SD MET A 51 -10.318 -3.683 5.062 1.00 0.00 S ATOM 782 CE MET A 51 -9.025 -4.866 4.657 1.00 0.00 C ATOM 0 H MET A 51 -10.625 -3.979 0.281 1.00 0.00 H new ATOM 0 HA MET A 51 -11.915 -3.751 2.895 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.388 -3.629 2.262 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.776 -1.989 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.964 -1.974 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.659 -1.530 4.053 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.705 -5.380 5.563 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.409 -5.595 3.943 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.176 -4.341 4.219 1.00 0.00 H new ATOM 792 N THR A 52 -12.074 -1.487 0.479 1.00 0.00 N ATOM 793 CA THR A 52 -12.877 -0.408 -0.159 1.00 0.00 C ATOM 794 C THR A 52 -13.202 0.773 0.788 1.00 0.00 C ATOM 795 O THR A 52 -14.144 1.536 0.546 1.00 0.00 O ATOM 796 CB THR A 52 -14.198 -0.996 -0.751 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.036 -1.552 0.276 1.00 0.00 O ATOM 798 CG2 THR A 52 -13.884 -2.085 -1.742 1.00 0.00 C ATOM 0 H THR A 52 -11.245 -1.733 -0.063 1.00 0.00 H new ATOM 0 HA THR A 52 -12.255 -0.000 -0.956 1.00 0.00 H new ATOM 0 HB THR A 52 -14.725 -0.175 -1.238 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.635 -1.382 1.154 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.813 -2.487 -2.147 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.281 -1.676 -2.553 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.331 -2.881 -1.244 1.00 0.00 H new ATOM 806 N SER A 53 -12.394 0.932 1.799 1.00 0.00 N ATOM 807 CA SER A 53 -12.591 1.886 2.845 1.00 0.00 C ATOM 808 C SER A 53 -12.576 3.330 2.316 1.00 0.00 C ATOM 809 O SER A 53 -11.639 3.741 1.635 1.00 0.00 O ATOM 810 CB SER A 53 -11.512 1.633 3.850 1.00 0.00 C ATOM 811 OG SER A 53 -11.472 0.251 4.161 1.00 0.00 O ATOM 0 H SER A 53 -11.547 0.376 1.918 1.00 0.00 H new ATOM 0 HA SER A 53 -13.574 1.770 3.302 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.549 1.956 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.697 2.215 4.753 1.00 0.00 H new ATOM 0 HG SER A 53 -11.160 0.132 5.082 1.00 0.00 H new ATOM 817 N SER A 54 -13.621 4.067 2.647 1.00 0.00 N ATOM 818 CA SER A 54 -13.879 5.405 2.132 1.00 0.00 C ATOM 819 C SER A 54 -12.715 6.410 2.349 1.00 0.00 C ATOM 820 O SER A 54 -12.278 7.071 1.388 1.00 0.00 O ATOM 821 CB SER A 54 -15.183 5.922 2.731 1.00 0.00 C ATOM 822 OG SER A 54 -16.244 4.986 2.508 1.00 0.00 O ATOM 0 H SER A 54 -14.335 3.745 3.300 1.00 0.00 H new ATOM 0 HA SER A 54 -13.967 5.322 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.057 6.090 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.439 6.883 2.285 1.00 0.00 H new ATOM 0 HG SER A 54 -17.073 5.332 2.900 1.00 0.00 H new ATOM 828 N GLN A 55 -12.226 6.515 3.588 1.00 0.00 N ATOM 829 CA GLN A 55 -11.098 7.406 3.936 1.00 0.00 C ATOM 830 C GLN A 55 -9.896 7.040 3.118 1.00 0.00 C ATOM 831 O GLN A 55 -9.300 7.853 2.400 1.00 0.00 O ATOM 832 CB GLN A 55 -10.713 7.190 5.415 1.00 0.00 C ATOM 833 CG GLN A 55 -9.346 7.762 5.802 1.00 0.00 C ATOM 834 CD GLN A 55 -8.814 7.184 7.095 1.00 0.00 C ATOM 835 OE1 GLN A 55 -9.058 7.729 8.177 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.107 6.060 7.010 1.00 0.00 N ATOM 0 H GLN A 55 -12.594 5.990 4.381 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.399 8.437 3.751 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.476 7.645 6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.719 6.121 5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.634 7.564 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.424 8.845 5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.926 5.639 6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.746 5.619 7.856 1.00 0.00 H new ATOM 845 N ASP A 56 -9.592 5.800 3.229 1.00 0.00 N ATOM 846 CA ASP A 56 -8.425 5.191 2.710 1.00 0.00 C ATOM 847 C ASP A 56 -8.353 5.348 1.235 1.00 0.00 C ATOM 848 O ASP A 56 -7.347 5.775 0.727 1.00 0.00 O ATOM 849 CB ASP A 56 -8.433 3.758 3.159 1.00 0.00 C ATOM 850 CG ASP A 56 -8.604 3.729 4.664 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.781 3.745 5.138 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.614 3.822 5.379 1.00 0.00 O ATOM 0 H ASP A 56 -10.194 5.138 3.719 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.523 5.673 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.244 3.213 2.675 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.503 3.266 2.873 1.00 0.00 H new ATOM 857 N ARG A 57 -9.467 5.129 0.568 1.00 0.00 N ATOM 858 CA ARG A 57 -9.592 5.280 -0.882 1.00 0.00 C ATOM 859 C ARG A 57 -9.155 6.652 -1.394 1.00 0.00 C ATOM 860 O ARG A 57 -8.789 6.783 -2.567 1.00 0.00 O ATOM 861 CB ARG A 57 -11.012 4.957 -1.312 1.00 0.00 C ATOM 862 CG ARG A 57 -11.253 3.471 -1.470 1.00 0.00 C ATOM 863 CD ARG A 57 -10.837 2.995 -2.855 1.00 0.00 C ATOM 864 NE ARG A 57 -11.816 3.406 -3.885 1.00 0.00 N ATOM 865 CZ ARG A 57 -11.681 4.425 -4.756 1.00 0.00 C ATOM 866 NH1 ARG A 57 -10.656 5.281 -4.657 1.00 0.00 N ATOM 867 NH2 ARG A 57 -12.602 4.613 -5.686 1.00 0.00 N ATOM 0 H ARG A 57 -10.333 4.835 1.020 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.903 4.569 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.710 5.357 -0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.223 5.457 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.693 2.925 -0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.308 3.251 -1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.856 3.401 -3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.742 1.909 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.678 2.864 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.965 5.166 -3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.566 6.048 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.407 3.989 -5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.507 5.382 -6.349 1.00 0.00 H new ATOM 881 N ALA A 58 -9.181 7.647 -0.527 1.00 0.00 N ATOM 882 CA ALA A 58 -8.723 8.976 -0.871 1.00 0.00 C ATOM 883 C ALA A 58 -7.301 9.218 -0.338 1.00 0.00 C ATOM 884 O ALA A 58 -6.484 9.882 -0.985 1.00 0.00 O ATOM 885 CB ALA A 58 -9.685 10.023 -0.326 1.00 0.00 C ATOM 0 H ALA A 58 -9.519 7.555 0.431 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.696 9.061 -1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.328 11.018 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.675 9.866 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.741 9.936 0.759 1.00 0.00 H new ATOM 891 N LEU A 59 -6.999 8.639 0.815 1.00 0.00 N ATOM 892 CA LEU A 59 -5.708 8.849 1.476 1.00 0.00 C ATOM 893 C LEU A 59 -4.569 8.055 0.847 1.00 0.00 C ATOM 894 O LEU A 59 -3.562 8.636 0.415 1.00 0.00 O ATOM 895 CB LEU A 59 -5.773 8.546 2.968 1.00 0.00 C ATOM 896 CG LEU A 59 -4.450 8.761 3.712 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.949 10.182 3.527 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.574 8.430 5.177 1.00 0.00 C ATOM 0 H LEU A 59 -7.630 8.016 1.319 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.492 9.908 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.538 9.175 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.089 7.512 3.104 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.720 8.077 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.009 10.309 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.790 10.376 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.688 10.882 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.616 8.595 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.331 9.069 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.865 7.386 5.291 1.00 0.00 H new ATOM 910 N VAL A 60 -4.713 6.725 0.781 1.00 0.00 N ATOM 911 CA VAL A 60 -3.673 5.864 0.210 1.00 0.00 C ATOM 912 C VAL A 60 -3.408 6.236 -1.264 1.00 0.00 C ATOM 913 O VAL A 60 -2.315 6.071 -1.781 1.00 0.00 O ATOM 914 CB VAL A 60 -3.989 4.328 0.369 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.331 3.957 -0.172 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.950 3.521 -0.319 1.00 0.00 C ATOM 0 H VAL A 60 -5.537 6.225 1.115 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.763 6.044 0.783 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.991 4.117 1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.495 2.888 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.104 4.513 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.375 4.198 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.177 2.461 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.934 3.775 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.975 3.733 0.120 1.00 0.00 H new ATOM 926 N LYS A 61 -4.386 6.886 -1.839 1.00 0.00 N ATOM 927 CA LYS A 61 -4.381 7.330 -3.223 1.00 0.00 C ATOM 928 C LYS A 61 -3.303 8.387 -3.423 1.00 0.00 C ATOM 929 O LYS A 61 -2.625 8.441 -4.450 1.00 0.00 O ATOM 930 CB LYS A 61 -5.765 7.915 -3.557 1.00 0.00 C ATOM 931 CG LYS A 61 -5.820 8.723 -4.839 1.00 0.00 C ATOM 932 CD LYS A 61 -5.598 7.899 -6.087 1.00 0.00 C ATOM 933 CE LYS A 61 -6.823 7.103 -6.474 1.00 0.00 C ATOM 934 NZ LYS A 61 -6.714 6.618 -7.857 1.00 0.00 N ATOM 0 H LYS A 61 -5.243 7.134 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.168 6.489 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.482 7.097 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.085 8.549 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.790 9.215 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.067 9.510 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.320 8.558 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.761 7.219 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.943 6.258 -5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.713 7.723 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.566 6.074 -8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.623 7.428 -8.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.876 6.008 -7.946 1.00 0.00 H new ATOM 948 N LYS A 62 -3.122 9.174 -2.414 1.00 0.00 N ATOM 949 CA LYS A 62 -2.189 10.254 -2.459 1.00 0.00 C ATOM 950 C LYS A 62 -0.842 9.795 -1.948 1.00 0.00 C ATOM 951 O LYS A 62 0.207 10.268 -2.375 1.00 0.00 O ATOM 952 CB LYS A 62 -2.721 11.428 -1.643 1.00 0.00 C ATOM 953 CG LYS A 62 -1.747 12.567 -1.516 1.00 0.00 C ATOM 954 CD LYS A 62 -2.386 13.795 -0.900 1.00 0.00 C ATOM 955 CE LYS A 62 -1.387 14.925 -0.763 1.00 0.00 C ATOM 956 NZ LYS A 62 -1.920 16.047 0.041 1.00 0.00 N ATOM 0 H LYS A 62 -3.620 9.086 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.062 10.585 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.637 11.795 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.986 11.076 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.901 12.254 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.353 12.819 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.224 14.120 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.791 13.544 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.476 14.548 -0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.113 15.288 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.203 16.797 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.775 16.425 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.157 15.708 0.995 1.00 0.00 H new ATOM 970 N LYS A 63 -0.884 8.860 -1.058 1.00 0.00 N ATOM 971 CA LYS A 63 0.306 8.344 -0.470 1.00 0.00 C ATOM 972 C LYS A 63 1.079 7.492 -1.452 1.00 0.00 C ATOM 973 O LYS A 63 2.278 7.573 -1.518 1.00 0.00 O ATOM 974 CB LYS A 63 0.003 7.507 0.732 1.00 0.00 C ATOM 975 CG LYS A 63 1.010 7.716 1.836 1.00 0.00 C ATOM 976 CD LYS A 63 0.870 9.081 2.477 1.00 0.00 C ATOM 977 CE LYS A 63 -0.476 9.256 3.179 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.496 10.530 3.935 1.00 0.00 N ATOM 0 H LYS A 63 -1.745 8.432 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 63 0.904 9.207 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.994 7.749 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.009 6.455 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.882 6.944 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.017 7.605 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.675 9.226 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.983 9.852 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.281 9.248 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.653 8.420 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.991 10.389 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.480 10.840 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.991 11.256 3.379 1.00 0.00 H new ATOM 992 N LEU A 64 0.369 6.687 -2.223 1.00 0.00 N ATOM 993 CA LEU A 64 0.993 5.754 -3.167 1.00 0.00 C ATOM 994 C LEU A 64 1.861 6.484 -4.192 1.00 0.00 C ATOM 995 O LEU A 64 2.878 5.963 -4.642 1.00 0.00 O ATOM 996 CB LEU A 64 -0.081 4.855 -3.842 1.00 0.00 C ATOM 997 CG LEU A 64 -1.055 5.503 -4.859 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.456 5.550 -6.264 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.393 4.783 -4.869 1.00 0.00 C ATOM 0 H LEU A 64 -0.651 6.655 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 64 1.661 5.101 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.439 4.044 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.680 4.403 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.222 6.531 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.169 6.011 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.463 6.136 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.235 4.537 -6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.057 5.258 -5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.243 3.740 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.841 4.834 -3.877 1.00 0.00 H new ATOM 1011 N LYS A 65 1.487 7.705 -4.506 1.00 0.00 N ATOM 1012 CA LYS A 65 2.224 8.467 -5.505 1.00 0.00 C ATOM 1013 C LYS A 65 3.468 9.144 -4.907 1.00 0.00 C ATOM 1014 O LYS A 65 4.424 9.444 -5.622 1.00 0.00 O ATOM 1015 CB LYS A 65 1.316 9.475 -6.241 1.00 0.00 C ATOM 1016 CG LYS A 65 0.669 10.516 -5.348 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.250 11.469 -6.109 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.439 10.753 -6.743 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.357 11.698 -7.413 1.00 0.00 N ATOM 0 H LYS A 65 0.690 8.191 -4.094 1.00 0.00 H new ATOM 0 HA LYS A 65 2.579 7.756 -6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.906 9.985 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.532 8.924 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.096 10.013 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.448 11.093 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.614 12.238 -5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.321 11.976 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.079 10.022 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.982 10.201 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.151 11.173 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.721 12.381 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.846 12.206 -8.162 1.00 0.00 H new ATOM 1033 N GLU A 66 3.470 9.349 -3.595 1.00 0.00 N ATOM 1034 CA GLU A 66 4.611 9.982 -2.931 1.00 0.00 C ATOM 1035 C GLU A 66 5.480 8.924 -2.254 1.00 0.00 C ATOM 1036 O GLU A 66 6.637 9.183 -1.891 1.00 0.00 O ATOM 1037 CB GLU A 66 4.146 11.014 -1.884 1.00 0.00 C ATOM 1038 CG GLU A 66 3.343 10.411 -0.742 1.00 0.00 C ATOM 1039 CD GLU A 66 2.898 11.414 0.288 1.00 0.00 C ATOM 1040 OE1 GLU A 66 3.647 11.674 1.249 1.00 0.00 O ATOM 1041 OE2 GLU A 66 1.779 11.952 0.176 1.00 0.00 O ATOM 0 H GLU A 66 2.705 9.090 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 66 5.194 10.501 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.020 11.520 -1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.541 11.773 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.465 9.912 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.945 9.645 -0.253 1.00 0.00 H new