USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 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 395 ASN : amide:sc= 0 X(o=-0.035,f=-0.5) USER MOD Set 1.2: A 399 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.27) USER MOD Set 2.1: A 349 TYR OH : rot 30:sc= 0.721 USER MOD Set 2.2: A 396 SER OG : rot -142:sc= 1.58 USER MOD Set 3.1: A 386 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 389 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Set 4.1: A 359 SER OG : rot -68:sc= 1.19 USER MOD Set 4.2: A 365 MET CE :methyl -115:sc= -0.786 (180deg=-2.06!) USER MOD Single : A 342 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 350 SER OG : rot 180:sc= 0 USER MOD Single : A 355 LYS NZ :NH3+ 142:sc= 0.59 (180deg=0.00595) USER MOD Single : A 358 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 360 THR OG1 : rot -40:sc= 0.308 USER MOD Single : A 368 ASN : amide:sc= -1.68 K(o=-1.7,f=-8.5!) USER MOD Single : A 371 TYR OH : rot 180:sc= 0 USER MOD Single : A 372 ASN : amide:sc= -0.878 X(o=-0.88,f=-0.72) USER MOD Single : A 376 SER OG : rot 81:sc= 1.23 USER MOD Single : A 377 ASN : amide:sc= 0.789 K(o=0.79,f=0) USER MOD Single : A 380 TYR OH : rot 154:sc= 0.712 USER MOD Single : A 383 ASN : amide:sc= 1 K(o=1,f=-0.011) USER MOD Single : A 385 THR OG1 : rot -99:sc= 0.285 USER MOD Single : A 387 GLN :FLIP amide:sc=-0.00956 F(o=-1.2,f=-0.0096) USER MOD Single : A 390 SER OG : rot 37:sc= -3.42! USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 400 ASN : amide:sc=-0.00845 K(o=-0.0085,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 342 -2.363 -14.922 11.076 1.00 53.54 N ATOM 2 CA ASN A 342 -1.640 -13.788 10.470 1.00 73.45 C ATOM 3 C ASN A 342 -1.787 -12.578 11.362 1.00 63.00 C ATOM 4 O ASN A 342 -2.784 -12.463 12.062 1.00 31.01 O ATOM 5 CB ASN A 342 -2.205 -13.458 9.080 1.00 1.33 C ATOM 6 CG ASN A 342 -2.123 -14.605 8.110 1.00 53.40 C ATOM 7 OD1 ASN A 342 -1.126 -14.776 7.423 1.00 74.24 O ATOM 8 ND2 ASN A 342 -3.174 -15.383 8.028 1.00 14.21 N ATOM 0 HA ASN A 342 -0.590 -14.060 10.364 1.00 73.45 H new ATOM 0 HB2 ASN A 342 -3.247 -13.154 9.183 1.00 1.33 H new ATOM 0 HB3 ASN A 342 -1.663 -12.606 8.669 1.00 1.33 H new ATOM 0 HD21 ASN A 342 -3.180 -16.165 7.373 1.00 14.21 H new ATOM 0 HD22 ASN A 342 -3.986 -15.207 8.619 1.00 14.21 H new ATOM 17 N PRO A 343 -0.811 -11.633 11.340 1.00 1.10 N ATOM 18 CA PRO A 343 -0.836 -10.431 12.212 1.00 12.33 C ATOM 19 C PRO A 343 -2.052 -9.526 11.952 1.00 60.52 C ATOM 20 O PRO A 343 -2.503 -8.812 12.832 1.00 53.31 O ATOM 21 CB PRO A 343 0.466 -9.694 11.834 1.00 64.12 C ATOM 22 CG PRO A 343 0.795 -10.196 10.469 1.00 63.54 C ATOM 23 CD PRO A 343 0.407 -11.644 10.483 1.00 71.34 C ATOM 0 HA PRO A 343 -0.910 -10.701 13.265 1.00 12.33 H new ATOM 0 HB2 PRO A 343 0.326 -8.613 11.836 1.00 64.12 H new ATOM 0 HB3 PRO A 343 1.266 -9.913 12.541 1.00 64.12 H new ATOM 0 HG2 PRO A 343 0.245 -9.648 9.704 1.00 63.54 H new ATOM 0 HG3 PRO A 343 1.856 -10.074 10.249 1.00 63.54 H new ATOM 0 HD2 PRO A 343 0.197 -12.019 9.481 1.00 71.34 H new ATOM 0 HD3 PRO A 343 1.193 -12.273 10.901 1.00 71.34 H new ATOM 31 N TRP A 344 -2.561 -9.569 10.746 1.00 42.24 N ATOM 32 CA TRP A 344 -3.696 -8.751 10.362 1.00 11.32 C ATOM 33 C TRP A 344 -5.034 -9.464 10.585 1.00 20.15 C ATOM 34 O TRP A 344 -6.045 -8.822 10.889 1.00 44.34 O ATOM 35 CB TRP A 344 -3.552 -8.327 8.896 1.00 44.01 C ATOM 36 CG TRP A 344 -3.278 -9.475 7.952 1.00 13.44 C ATOM 37 CD1 TRP A 344 -4.144 -10.461 7.576 1.00 32.21 C ATOM 38 CD2 TRP A 344 -2.065 -9.727 7.233 1.00 21.44 C ATOM 39 NE1 TRP A 344 -3.530 -11.316 6.727 1.00 32.34 N ATOM 40 CE2 TRP A 344 -2.270 -10.887 6.484 1.00 64.14 C ATOM 41 CE3 TRP A 344 -0.834 -9.099 7.152 1.00 74.24 C ATOM 42 CZ2 TRP A 344 -1.297 -11.419 5.677 1.00 41.04 C ATOM 43 CZ3 TRP A 344 0.128 -9.634 6.337 1.00 33.52 C ATOM 44 CH2 TRP A 344 -0.114 -10.782 5.614 1.00 73.12 C ATOM 0 H TRP A 344 -2.205 -10.168 10.001 1.00 42.24 H new ATOM 0 HA TRP A 344 -3.700 -7.869 11.002 1.00 11.32 H new ATOM 0 HB2 TRP A 344 -4.465 -7.821 8.583 1.00 44.01 H new ATOM 0 HB3 TRP A 344 -2.742 -7.602 8.815 1.00 44.01 H new ATOM 0 HD1 TRP A 344 -5.168 -10.546 7.908 1.00 32.21 H new ATOM 0 HE1 TRP A 344 -3.952 -12.156 6.331 1.00 32.34 H new ATOM 0 HE3 TRP A 344 -0.636 -8.203 7.721 1.00 74.24 H new ATOM 0 HZ2 TRP A 344 -1.475 -12.321 5.110 1.00 41.04 H new ATOM 0 HZ3 TRP A 344 1.090 -9.149 6.260 1.00 33.52 H new ATOM 0 HH2 TRP A 344 0.665 -11.180 4.981 1.00 73.12 H new ATOM 55 N GLY A 345 -5.034 -10.774 10.436 1.00 62.23 N ATOM 56 CA GLY A 345 -6.250 -11.518 10.549 1.00 61.12 C ATOM 57 C GLY A 345 -6.150 -12.893 9.918 1.00 22.55 C ATOM 58 O GLY A 345 -5.153 -13.602 10.109 1.00 55.21 O ATOM 0 H GLY A 345 -4.204 -11.333 10.238 1.00 62.23 H new ATOM 0 HA2 GLY A 345 -6.511 -11.623 11.602 1.00 61.12 H new ATOM 0 HA3 GLY A 345 -7.058 -10.962 10.074 1.00 61.12 H new ATOM 62 N ALA A 346 -7.157 -13.247 9.137 1.00 60.03 N ATOM 63 CA ALA A 346 -7.271 -14.579 8.556 1.00 43.00 C ATOM 64 C ALA A 346 -6.800 -14.667 7.094 1.00 41.43 C ATOM 65 O ALA A 346 -6.302 -15.722 6.669 1.00 70.34 O ATOM 66 CB ALA A 346 -8.697 -15.066 8.678 1.00 53.44 C ATOM 0 H ALA A 346 -7.921 -12.619 8.886 1.00 60.03 H new ATOM 0 HA ALA A 346 -6.598 -15.222 9.123 1.00 43.00 H new ATOM 0 HB1 ALA A 346 -8.780 -16.062 8.243 1.00 53.44 H new ATOM 0 HB2 ALA A 346 -8.979 -15.105 9.730 1.00 53.44 H new ATOM 0 HB3 ALA A 346 -9.361 -14.383 8.149 1.00 53.44 H new ATOM 72 N GLU A 347 -6.955 -13.585 6.320 1.00 74.54 N ATOM 73 CA GLU A 347 -6.526 -13.581 4.902 1.00 5.15 C ATOM 74 C GLU A 347 -5.021 -13.797 4.802 1.00 4.41 C ATOM 75 O GLU A 347 -4.311 -13.661 5.788 1.00 73.15 O ATOM 76 CB GLU A 347 -6.939 -12.283 4.197 1.00 44.41 C ATOM 77 CG GLU A 347 -8.448 -12.082 4.134 1.00 34.44 C ATOM 78 CD GLU A 347 -8.851 -10.793 3.452 1.00 60.32 C ATOM 79 OE1 GLU A 347 -8.913 -9.745 4.135 1.00 52.22 O ATOM 80 OE2 GLU A 347 -9.128 -10.810 2.235 1.00 23.10 O ATOM 0 H GLU A 347 -7.368 -12.709 6.640 1.00 74.54 H new ATOM 0 HA GLU A 347 -7.029 -14.404 4.395 1.00 5.15 H new ATOM 0 HB2 GLU A 347 -6.489 -11.437 4.716 1.00 44.41 H new ATOM 0 HB3 GLU A 347 -6.538 -12.285 3.184 1.00 44.41 H new ATOM 0 HG2 GLU A 347 -8.898 -12.922 3.604 1.00 34.44 H new ATOM 0 HG3 GLU A 347 -8.852 -12.091 5.146 1.00 34.44 H new ATOM 87 N SER A 348 -4.539 -14.128 3.646 1.00 22.45 N ATOM 88 CA SER A 348 -3.142 -14.410 3.495 1.00 43.13 C ATOM 89 C SER A 348 -2.397 -13.202 3.005 1.00 20.40 C ATOM 90 O SER A 348 -3.016 -12.189 2.633 1.00 74.41 O ATOM 91 CB SER A 348 -2.935 -15.585 2.553 1.00 33.11 C ATOM 92 OG SER A 348 -3.506 -16.775 3.093 1.00 71.21 O ATOM 0 H SER A 348 -5.090 -14.210 2.791 1.00 22.45 H new ATOM 0 HA SER A 348 -2.743 -14.676 4.474 1.00 43.13 H new ATOM 0 HB2 SER A 348 -3.388 -15.366 1.586 1.00 33.11 H new ATOM 0 HB3 SER A 348 -1.869 -15.734 2.379 1.00 33.11 H new ATOM 0 HG SER A 348 -3.363 -17.518 2.470 1.00 71.21 H new ATOM 98 N TYR A 349 -1.067 -13.305 3.014 1.00 2.42 N ATOM 99 CA TYR A 349 -0.202 -12.247 2.537 1.00 52.54 C ATOM 100 C TYR A 349 -0.581 -11.880 1.151 1.00 60.35 C ATOM 101 O TYR A 349 -1.058 -10.795 0.920 1.00 54.21 O ATOM 102 CB TYR A 349 1.286 -12.664 2.562 1.00 54.41 C ATOM 103 CG TYR A 349 1.859 -12.875 3.931 1.00 53.44 C ATOM 104 CD1 TYR A 349 1.601 -14.030 4.649 1.00 64.43 C ATOM 105 CD2 TYR A 349 2.664 -11.907 4.511 1.00 52.01 C ATOM 106 CE1 TYR A 349 2.122 -14.215 5.907 1.00 51.32 C ATOM 107 CE2 TYR A 349 3.192 -12.084 5.768 1.00 2.12 C ATOM 108 CZ TYR A 349 2.914 -13.239 6.463 1.00 54.12 C ATOM 109 OH TYR A 349 3.437 -13.421 7.721 1.00 54.50 O ATOM 0 H TYR A 349 -0.568 -14.127 3.354 1.00 2.42 H new ATOM 0 HA TYR A 349 -0.326 -11.394 3.204 1.00 52.54 H new ATOM 0 HB2 TYR A 349 1.400 -13.585 1.990 1.00 54.41 H new ATOM 0 HB3 TYR A 349 1.871 -11.898 2.053 1.00 54.41 H new ATOM 0 HD1 TYR A 349 0.980 -14.799 4.213 1.00 64.43 H new ATOM 0 HD2 TYR A 349 2.880 -10.999 3.967 1.00 52.01 H new ATOM 0 HE1 TYR A 349 1.911 -15.121 6.455 1.00 51.32 H new ATOM 0 HE2 TYR A 349 3.820 -11.323 6.207 1.00 2.12 H new ATOM 0 HH TYR A 349 3.578 -14.377 7.882 1.00 54.50 H new ATOM 119 N SER A 350 -0.421 -12.818 0.246 1.00 41.10 N ATOM 120 CA SER A 350 -0.685 -12.614 -1.155 1.00 3.14 C ATOM 121 C SER A 350 -2.112 -12.089 -1.403 1.00 62.13 C ATOM 122 O SER A 350 -2.330 -11.312 -2.325 1.00 64.40 O ATOM 123 CB SER A 350 -0.440 -13.908 -1.900 1.00 62.12 C ATOM 124 OG SER A 350 0.859 -14.414 -1.590 1.00 62.52 O ATOM 0 H SER A 350 -0.098 -13.759 0.469 1.00 41.10 H new ATOM 0 HA SER A 350 -0.006 -11.847 -1.528 1.00 3.14 H new ATOM 0 HB2 SER A 350 -1.199 -14.642 -1.629 1.00 62.12 H new ATOM 0 HB3 SER A 350 -0.527 -13.741 -2.974 1.00 62.12 H new ATOM 0 HG SER A 350 1.008 -15.252 -2.075 1.00 62.52 H new ATOM 130 N ASP A 351 -3.065 -12.496 -0.552 1.00 2.23 N ATOM 131 CA ASP A 351 -4.446 -12.005 -0.664 1.00 54.31 C ATOM 132 C ASP A 351 -4.522 -10.515 -0.410 1.00 4.42 C ATOM 133 O ASP A 351 -5.126 -9.770 -1.194 1.00 54.54 O ATOM 134 CB ASP A 351 -5.406 -12.757 0.269 1.00 40.02 C ATOM 135 CG ASP A 351 -5.652 -14.166 -0.171 1.00 71.12 C ATOM 136 OD1 ASP A 351 -6.540 -14.383 -1.020 1.00 63.50 O ATOM 137 OD2 ASP A 351 -4.977 -15.074 0.324 1.00 45.04 O ATOM 0 H ASP A 351 -2.909 -13.155 0.211 1.00 2.23 H new ATOM 0 HA ASP A 351 -4.764 -12.198 -1.689 1.00 54.31 H new ATOM 0 HB2 ASP A 351 -4.995 -12.762 1.279 1.00 40.02 H new ATOM 0 HB3 ASP A 351 -6.355 -12.223 0.314 1.00 40.02 H new ATOM 142 N LEU A 352 -3.909 -10.071 0.670 1.00 34.42 N ATOM 143 CA LEU A 352 -3.891 -8.671 0.997 1.00 65.54 C ATOM 144 C LEU A 352 -2.903 -7.890 0.145 1.00 4.03 C ATOM 145 O LEU A 352 -3.143 -6.727 -0.169 1.00 51.22 O ATOM 146 CB LEU A 352 -3.599 -8.456 2.448 1.00 71.33 C ATOM 147 CG LEU A 352 -4.605 -8.985 3.450 1.00 45.52 C ATOM 148 CD1 LEU A 352 -4.206 -8.537 4.807 1.00 11.13 C ATOM 149 CD2 LEU A 352 -5.993 -8.506 3.132 1.00 43.40 C ATOM 0 H LEU A 352 -3.417 -10.668 1.334 1.00 34.42 H new ATOM 0 HA LEU A 352 -4.889 -8.292 0.778 1.00 65.54 H new ATOM 0 HB2 LEU A 352 -2.634 -8.912 2.668 1.00 71.33 H new ATOM 0 HB3 LEU A 352 -3.491 -7.384 2.614 1.00 71.33 H new ATOM 0 HG LEU A 352 -4.615 -10.074 3.403 1.00 45.52 H new ATOM 0 HD11 LEU A 352 -4.922 -8.911 5.539 1.00 11.13 H new ATOM 0 HD12 LEU A 352 -3.214 -8.923 5.040 1.00 11.13 H new ATOM 0 HD13 LEU A 352 -4.189 -7.448 4.840 1.00 11.13 H new ATOM 0 HD21 LEU A 352 -6.692 -8.902 3.868 1.00 43.40 H new ATOM 0 HD22 LEU A 352 -6.017 -7.417 3.158 1.00 43.40 H new ATOM 0 HD23 LEU A 352 -6.278 -8.851 2.138 1.00 43.40 H new ATOM 161 N ILE A 353 -1.794 -8.517 -0.216 1.00 23.14 N ATOM 162 CA ILE A 353 -0.805 -7.891 -1.090 1.00 34.52 C ATOM 163 C ILE A 353 -1.464 -7.569 -2.414 1.00 23.33 C ATOM 164 O ILE A 353 -1.245 -6.509 -2.983 1.00 14.44 O ATOM 165 CB ILE A 353 0.430 -8.809 -1.334 1.00 44.11 C ATOM 166 CG1 ILE A 353 1.161 -9.101 -0.016 1.00 31.41 C ATOM 167 CG2 ILE A 353 1.376 -8.161 -2.326 1.00 20.24 C ATOM 168 CD1 ILE A 353 2.260 -10.141 -0.129 1.00 61.44 C ATOM 0 H ILE A 353 -1.553 -9.462 0.082 1.00 23.14 H new ATOM 0 HA ILE A 353 -0.445 -6.985 -0.603 1.00 34.52 H new ATOM 0 HB ILE A 353 0.078 -9.754 -1.747 1.00 44.11 H new ATOM 0 HG12 ILE A 353 1.592 -8.173 0.360 1.00 31.41 H new ATOM 0 HG13 ILE A 353 0.433 -9.437 0.723 1.00 31.41 H new ATOM 0 HG21 ILE A 353 2.235 -8.812 -2.488 1.00 20.24 H new ATOM 0 HG22 ILE A 353 0.858 -8.001 -3.272 1.00 20.24 H new ATOM 0 HG23 ILE A 353 1.716 -7.203 -1.932 1.00 20.24 H new ATOM 0 HD11 ILE A 353 2.724 -10.287 0.846 1.00 61.44 H new ATOM 0 HD12 ILE A 353 1.835 -11.084 -0.473 1.00 61.44 H new ATOM 0 HD13 ILE A 353 3.011 -9.800 -0.841 1.00 61.44 H new ATOM 180 N ALA A 354 -2.296 -8.492 -2.881 1.00 3.01 N ATOM 181 CA ALA A 354 -3.066 -8.282 -4.090 1.00 70.43 C ATOM 182 C ALA A 354 -3.982 -7.075 -3.928 1.00 23.35 C ATOM 183 O ALA A 354 -4.075 -6.265 -4.823 1.00 21.41 O ATOM 184 CB ALA A 354 -3.866 -9.522 -4.454 1.00 15.51 C ATOM 0 H ALA A 354 -2.452 -9.396 -2.435 1.00 3.01 H new ATOM 0 HA ALA A 354 -2.372 -8.085 -4.907 1.00 70.43 H new ATOM 0 HB1 ALA A 354 -4.434 -9.334 -5.365 1.00 15.51 H new ATOM 0 HB2 ALA A 354 -3.187 -10.359 -4.616 1.00 15.51 H new ATOM 0 HB3 ALA A 354 -4.552 -9.763 -3.642 1.00 15.51 H new ATOM 190 N LYS A 355 -4.639 -6.954 -2.756 1.00 11.21 N ATOM 191 CA LYS A 355 -5.492 -5.785 -2.462 1.00 61.54 C ATOM 192 C LYS A 355 -4.682 -4.505 -2.505 1.00 43.44 C ATOM 193 O LYS A 355 -5.137 -3.491 -3.035 1.00 34.54 O ATOM 194 CB LYS A 355 -6.139 -5.857 -1.083 1.00 71.33 C ATOM 195 CG LYS A 355 -7.134 -6.915 -0.855 1.00 75.34 C ATOM 196 CD LYS A 355 -7.680 -6.752 0.539 1.00 13.34 C ATOM 197 CE LYS A 355 -8.763 -7.711 0.782 1.00 2.42 C ATOM 198 NZ LYS A 355 -9.329 -7.623 2.152 1.00 62.33 N ATOM 0 H LYS A 355 -4.596 -7.643 -2.006 1.00 11.21 H new ATOM 0 HA LYS A 355 -6.269 -5.792 -3.226 1.00 61.54 H new ATOM 0 HB2 LYS A 355 -5.346 -5.976 -0.345 1.00 71.33 H new ATOM 0 HB3 LYS A 355 -6.617 -4.897 -0.885 1.00 71.33 H new ATOM 0 HG2 LYS A 355 -7.937 -6.846 -1.589 1.00 75.34 H new ATOM 0 HG3 LYS A 355 -6.678 -7.898 -0.973 1.00 75.34 H new ATOM 0 HD2 LYS A 355 -6.883 -6.902 1.268 1.00 13.34 H new ATOM 0 HD3 LYS A 355 -8.049 -5.735 0.675 1.00 13.34 H new ATOM 0 HE2 LYS A 355 -9.558 -7.542 0.056 1.00 2.42 H new ATOM 0 HE3 LYS A 355 -8.389 -8.721 0.615 1.00 2.42 H new ATOM 0 HZ1 LYS A 355 -10.358 -7.766 2.112 1.00 62.33 H new ATOM 0 HZ2 LYS A 355 -8.901 -8.356 2.752 1.00 62.33 H new ATOM 0 HZ3 LYS A 355 -9.125 -6.685 2.552 1.00 62.33 H new ATOM 212 N ALA A 356 -3.504 -4.547 -1.919 1.00 20.02 N ATOM 213 CA ALA A 356 -2.621 -3.402 -1.894 1.00 31.34 C ATOM 214 C ALA A 356 -2.235 -3.018 -3.293 1.00 75.30 C ATOM 215 O ALA A 356 -2.431 -1.885 -3.709 1.00 64.33 O ATOM 216 CB ALA A 356 -1.380 -3.701 -1.062 1.00 11.24 C ATOM 0 H ALA A 356 -3.133 -5.373 -1.449 1.00 20.02 H new ATOM 0 HA ALA A 356 -3.147 -2.566 -1.434 1.00 31.34 H new ATOM 0 HB1 ALA A 356 -0.728 -2.828 -1.055 1.00 11.24 H new ATOM 0 HB2 ALA A 356 -1.676 -3.941 -0.041 1.00 11.24 H new ATOM 0 HB3 ALA A 356 -0.848 -4.548 -1.494 1.00 11.24 H new ATOM 222 N LEU A 357 -1.752 -3.992 -4.019 1.00 10.13 N ATOM 223 CA LEU A 357 -1.272 -3.847 -5.388 1.00 45.13 C ATOM 224 C LEU A 357 -2.400 -3.289 -6.244 1.00 32.21 C ATOM 225 O LEU A 357 -2.197 -2.430 -7.100 1.00 0.31 O ATOM 226 CB LEU A 357 -0.927 -5.244 -5.877 1.00 12.05 C ATOM 227 CG LEU A 357 0.268 -5.416 -6.831 1.00 31.31 C ATOM 228 CD1 LEU A 357 0.022 -4.757 -8.178 1.00 52.41 C ATOM 229 CD2 LEU A 357 1.541 -4.863 -6.203 1.00 62.54 C ATOM 0 H LEU A 357 -1.675 -4.947 -3.670 1.00 10.13 H new ATOM 0 HA LEU A 357 -0.411 -3.181 -5.444 1.00 45.13 H new ATOM 0 HB2 LEU A 357 -0.743 -5.865 -5.001 1.00 12.05 H new ATOM 0 HB3 LEU A 357 -1.809 -5.648 -6.375 1.00 12.05 H new ATOM 0 HG LEU A 357 0.389 -6.486 -7.003 1.00 31.31 H new ATOM 0 HD11 LEU A 357 0.891 -4.904 -8.819 1.00 52.41 H new ATOM 0 HD12 LEU A 357 -0.854 -5.204 -8.647 1.00 52.41 H new ATOM 0 HD13 LEU A 357 -0.148 -3.690 -8.035 1.00 52.41 H new ATOM 0 HD21 LEU A 357 2.374 -4.994 -6.894 1.00 62.54 H new ATOM 0 HD22 LEU A 357 1.410 -3.802 -5.990 1.00 62.54 H new ATOM 0 HD23 LEU A 357 1.751 -5.396 -5.276 1.00 62.54 H new ATOM 241 N LYS A 358 -3.590 -3.776 -5.953 1.00 11.21 N ATOM 242 CA LYS A 358 -4.784 -3.446 -6.603 1.00 45.24 C ATOM 243 C LYS A 358 -5.092 -1.937 -6.585 1.00 71.44 C ATOM 244 O LYS A 358 -5.756 -1.423 -7.492 1.00 64.45 O ATOM 245 CB LYS A 358 -5.897 -4.236 -5.958 1.00 23.14 C ATOM 246 CG LYS A 358 -7.217 -3.847 -6.420 1.00 12.12 C ATOM 247 CD LYS A 358 -8.316 -4.599 -5.712 1.00 51.24 C ATOM 248 CE LYS A 358 -9.673 -4.183 -6.239 1.00 11.00 C ATOM 249 NZ LYS A 358 -10.767 -4.896 -5.567 1.00 73.54 N ATOM 0 H LYS A 358 -3.727 -4.454 -5.204 1.00 11.21 H new ATOM 0 HA LYS A 358 -4.686 -3.703 -7.658 1.00 45.24 H new ATOM 0 HB2 LYS A 358 -5.746 -5.296 -6.161 1.00 23.14 H new ATOM 0 HB3 LYS A 358 -5.845 -4.108 -4.877 1.00 23.14 H new ATOM 0 HG2 LYS A 358 -7.353 -2.777 -6.264 1.00 12.12 H new ATOM 0 HG3 LYS A 358 -7.291 -4.025 -7.493 1.00 12.12 H new ATOM 0 HD2 LYS A 358 -8.179 -5.671 -5.852 1.00 51.24 H new ATOM 0 HD3 LYS A 358 -8.262 -4.408 -4.640 1.00 51.24 H new ATOM 0 HE2 LYS A 358 -9.802 -3.109 -6.101 1.00 11.00 H new ATOM 0 HE3 LYS A 358 -9.720 -4.375 -7.311 1.00 11.00 H new ATOM 0 HZ1 LYS A 358 -11.678 -4.581 -5.958 1.00 73.54 H new ATOM 0 HZ2 LYS A 358 -10.660 -5.919 -5.719 1.00 73.54 H new ATOM 0 HZ3 LYS A 358 -10.739 -4.693 -4.547 1.00 73.54 H new ATOM 263 N SER A 359 -4.572 -1.223 -5.603 1.00 14.13 N ATOM 264 CA SER A 359 -4.856 0.207 -5.477 1.00 22.55 C ATOM 265 C SER A 359 -4.185 1.018 -6.628 1.00 64.10 C ATOM 266 O SER A 359 -4.413 2.222 -6.781 1.00 11.34 O ATOM 267 CB SER A 359 -4.399 0.716 -4.098 1.00 54.12 C ATOM 268 OG SER A 359 -2.986 0.641 -3.961 1.00 43.00 O ATOM 0 H SER A 359 -3.955 -1.600 -4.883 1.00 14.13 H new ATOM 0 HA SER A 359 -5.933 0.355 -5.561 1.00 22.55 H new ATOM 0 HB2 SER A 359 -4.725 1.747 -3.962 1.00 54.12 H new ATOM 0 HB3 SER A 359 -4.874 0.126 -3.315 1.00 54.12 H new ATOM 0 HG SER A 359 -2.710 -0.299 -3.925 1.00 43.00 H new ATOM 274 N THR A 360 -3.368 0.343 -7.421 1.00 64.31 N ATOM 275 CA THR A 360 -2.733 0.923 -8.581 1.00 3.40 C ATOM 276 C THR A 360 -2.335 -0.248 -9.516 1.00 51.15 C ATOM 277 O THR A 360 -1.337 -0.206 -10.243 1.00 11.42 O ATOM 278 CB THR A 360 -1.484 1.755 -8.147 1.00 74.33 C ATOM 279 OG1 THR A 360 -0.911 2.435 -9.276 1.00 34.34 O ATOM 280 CG2 THR A 360 -0.448 0.866 -7.500 1.00 3.21 C ATOM 0 H THR A 360 -3.128 -0.637 -7.270 1.00 64.31 H new ATOM 0 HA THR A 360 -3.405 1.604 -9.103 1.00 3.40 H new ATOM 0 HB THR A 360 -1.811 2.498 -7.419 1.00 74.33 H new ATOM 0 HG1 THR A 360 -0.922 1.841 -10.056 1.00 34.34 H new ATOM 0 HG21 THR A 360 0.413 1.466 -7.205 1.00 3.21 H new ATOM 0 HG22 THR A 360 -0.877 0.389 -6.618 1.00 3.21 H new ATOM 0 HG23 THR A 360 -0.132 0.100 -8.209 1.00 3.21 H new ATOM 288 N PHE A 361 -3.216 -1.249 -9.541 1.00 71.32 N ATOM 289 CA PHE A 361 -3.016 -2.538 -10.245 1.00 1.24 C ATOM 290 C PHE A 361 -2.751 -2.326 -11.728 1.00 15.23 C ATOM 291 O PHE A 361 -2.123 -3.159 -12.401 1.00 70.21 O ATOM 292 CB PHE A 361 -4.297 -3.353 -10.113 1.00 50.11 C ATOM 293 CG PHE A 361 -4.124 -4.837 -10.290 1.00 22.01 C ATOM 294 CD1 PHE A 361 -3.610 -5.600 -9.257 1.00 34.13 C ATOM 295 CD2 PHE A 361 -4.488 -5.469 -11.466 1.00 51.40 C ATOM 296 CE1 PHE A 361 -3.459 -6.957 -9.387 1.00 24.12 C ATOM 297 CE2 PHE A 361 -4.335 -6.836 -11.602 1.00 1.21 C ATOM 298 CZ PHE A 361 -3.820 -7.580 -10.561 1.00 11.42 C ATOM 0 H PHE A 361 -4.115 -1.195 -9.063 1.00 71.32 H new ATOM 0 HA PHE A 361 -2.159 -3.045 -9.803 1.00 1.24 H new ATOM 0 HB2 PHE A 361 -4.729 -3.167 -9.130 1.00 50.11 H new ATOM 0 HB3 PHE A 361 -5.016 -2.995 -10.850 1.00 50.11 H new ATOM 0 HD1 PHE A 361 -3.323 -5.119 -8.333 1.00 34.13 H new ATOM 0 HD2 PHE A 361 -4.894 -4.891 -12.283 1.00 51.40 H new ATOM 0 HE1 PHE A 361 -3.057 -7.537 -8.569 1.00 24.12 H new ATOM 0 HE2 PHE A 361 -4.619 -7.322 -12.524 1.00 1.21 H new ATOM 0 HZ PHE A 361 -3.700 -8.648 -10.666 1.00 11.42 H new ATOM 308 N ASP A 362 -3.197 -1.203 -12.206 1.00 21.44 N ATOM 309 CA ASP A 362 -3.163 -0.883 -13.608 1.00 33.13 C ATOM 310 C ASP A 362 -1.865 -0.206 -13.993 1.00 20.40 C ATOM 311 O ASP A 362 -1.700 0.261 -15.114 1.00 51.14 O ATOM 312 CB ASP A 362 -4.361 -0.012 -13.978 1.00 63.41 C ATOM 313 CG ASP A 362 -5.683 -0.713 -13.725 1.00 34.20 C ATOM 314 OD1 ASP A 362 -6.118 -1.493 -14.590 1.00 54.33 O ATOM 315 OD2 ASP A 362 -6.304 -0.479 -12.662 1.00 23.44 O ATOM 0 H ASP A 362 -3.602 -0.469 -11.626 1.00 21.44 H new ATOM 0 HA ASP A 362 -3.221 -1.816 -14.169 1.00 33.13 H new ATOM 0 HB2 ASP A 362 -4.327 0.913 -13.402 1.00 63.41 H new ATOM 0 HB3 ASP A 362 -4.295 0.265 -15.030 1.00 63.41 H new ATOM 320 N GLY A 363 -0.962 -0.145 -13.067 1.00 74.25 N ATOM 321 CA GLY A 363 0.330 0.396 -13.331 1.00 54.23 C ATOM 322 C GLY A 363 1.380 -0.428 -12.660 1.00 12.11 C ATOM 323 O GLY A 363 1.757 -1.489 -13.155 1.00 11.34 O ATOM 0 H GLY A 363 -1.100 -0.468 -12.109 1.00 74.25 H new ATOM 0 HA2 GLY A 363 0.509 0.422 -14.406 1.00 54.23 H new ATOM 0 HA3 GLY A 363 0.382 1.425 -12.975 1.00 54.23 H new ATOM 327 N ARG A 364 1.830 0.041 -11.532 1.00 12.30 N ATOM 328 CA ARG A 364 2.816 -0.620 -10.724 1.00 41.12 C ATOM 329 C ARG A 364 2.763 -0.109 -9.315 1.00 3.53 C ATOM 330 O ARG A 364 2.259 0.980 -9.087 1.00 73.32 O ATOM 331 CB ARG A 364 4.258 -0.624 -11.374 1.00 14.31 C ATOM 332 CG ARG A 364 4.829 0.693 -12.014 1.00 22.52 C ATOM 333 CD ARG A 364 5.220 1.818 -11.037 1.00 43.45 C ATOM 334 NE ARG A 364 4.088 2.466 -10.397 1.00 15.02 N ATOM 335 CZ ARG A 364 4.163 3.457 -9.503 1.00 14.22 C ATOM 336 NH1 ARG A 364 5.342 3.988 -9.166 1.00 62.13 N ATOM 337 NH2 ARG A 364 3.049 3.924 -8.961 1.00 10.00 N ATOM 0 H ARG A 364 1.510 0.924 -11.135 1.00 12.30 H new ATOM 0 HA ARG A 364 2.564 -1.680 -10.679 1.00 41.12 H new ATOM 0 HB2 ARG A 364 4.961 -0.943 -10.604 1.00 14.31 H new ATOM 0 HB3 ARG A 364 4.264 -1.391 -12.148 1.00 14.31 H new ATOM 0 HG2 ARG A 364 5.708 0.433 -12.604 1.00 22.52 H new ATOM 0 HG3 ARG A 364 4.085 1.086 -12.707 1.00 22.52 H new ATOM 0 HD2 ARG A 364 5.872 1.406 -10.267 1.00 43.45 H new ATOM 0 HD3 ARG A 364 5.798 2.569 -11.576 1.00 43.45 H new ATOM 0 HE ARG A 364 3.157 2.137 -10.652 1.00 15.02 H new ATOM 0 HH11 ARG A 364 6.200 3.638 -9.592 1.00 62.13 H new ATOM 0 HH12 ARG A 364 5.384 4.744 -8.482 1.00 62.13 H new ATOM 0 HH21 ARG A 364 2.147 3.528 -9.227 1.00 10.00 H new ATOM 0 HH22 ARG A 364 3.092 4.680 -8.278 1.00 10.00 H new ATOM 351 N MET A 365 3.218 -0.873 -8.367 1.00 11.14 N ATOM 352 CA MET A 365 3.215 -0.385 -7.014 1.00 0.04 C ATOM 353 C MET A 365 4.586 -0.521 -6.479 1.00 72.41 C ATOM 354 O MET A 365 5.322 -1.448 -6.852 1.00 3.15 O ATOM 355 CB MET A 365 2.233 -1.156 -6.115 1.00 51.33 C ATOM 356 CG MET A 365 1.837 -0.396 -4.860 1.00 21.03 C ATOM 357 SD MET A 365 0.594 -1.254 -3.902 1.00 34.14 S ATOM 358 CE MET A 365 0.196 -0.019 -2.674 1.00 54.44 C ATOM 0 H MET A 365 3.588 -1.815 -8.496 1.00 11.14 H new ATOM 0 HA MET A 365 2.890 0.655 -7.020 1.00 0.04 H new ATOM 0 HB2 MET A 365 1.335 -1.390 -6.687 1.00 51.33 H new ATOM 0 HB3 MET A 365 2.684 -2.106 -5.828 1.00 51.33 H new ATOM 0 HG2 MET A 365 2.721 -0.236 -4.242 1.00 21.03 H new ATOM 0 HG3 MET A 365 1.461 0.588 -5.139 1.00 21.03 H new ATOM 0 HE1 MET A 365 0.491 -0.378 -1.688 1.00 54.44 H new ATOM 0 HE2 MET A 365 0.731 0.904 -2.899 1.00 54.44 H new ATOM 0 HE3 MET A 365 -0.877 0.172 -2.685 1.00 54.44 H new ATOM 368 N ARG A 366 4.967 0.389 -5.655 1.00 41.32 N ATOM 369 CA ARG A 366 6.219 0.300 -5.038 1.00 74.02 C ATOM 370 C ARG A 366 6.120 -0.624 -3.865 1.00 51.22 C ATOM 371 O ARG A 366 5.090 -0.661 -3.173 1.00 33.42 O ATOM 372 CB ARG A 366 6.681 1.642 -4.623 1.00 63.25 C ATOM 373 CG ARG A 366 6.889 2.548 -5.799 1.00 10.35 C ATOM 374 CD ARG A 366 7.408 3.859 -5.365 1.00 32.31 C ATOM 375 NE ARG A 366 6.423 4.586 -4.582 1.00 60.25 N ATOM 376 CZ ARG A 366 6.654 5.655 -3.817 1.00 73.34 C ATOM 377 NH1 ARG A 366 7.890 6.128 -3.674 1.00 12.44 N ATOM 378 NH2 ARG A 366 5.640 6.240 -3.180 1.00 25.11 N ATOM 0 H ARG A 366 4.415 1.207 -5.398 1.00 41.32 H new ATOM 0 HA ARG A 366 6.951 -0.099 -5.741 1.00 74.02 H new ATOM 0 HB2 ARG A 366 5.949 2.085 -3.948 1.00 63.25 H new ATOM 0 HB3 ARG A 366 7.614 1.549 -4.066 1.00 63.25 H new ATOM 0 HG2 ARG A 366 7.588 2.089 -6.498 1.00 10.35 H new ATOM 0 HG3 ARG A 366 5.947 2.683 -6.331 1.00 10.35 H new ATOM 0 HD2 ARG A 366 8.312 3.716 -4.773 1.00 32.31 H new ATOM 0 HD3 ARG A 366 7.688 4.448 -6.238 1.00 32.31 H new ATOM 0 HE ARG A 366 5.462 4.246 -4.621 1.00 60.25 H new ATOM 0 HH11 ARG A 366 8.669 5.673 -4.151 1.00 12.44 H new ATOM 0 HH12 ARG A 366 8.059 6.945 -3.088 1.00 12.44 H new ATOM 0 HH21 ARG A 366 4.694 5.870 -3.279 1.00 25.11 H new ATOM 0 HH22 ARG A 366 5.810 7.057 -2.594 1.00 25.11 H new ATOM 392 N LEU A 367 7.158 -1.366 -3.646 1.00 11.30 N ATOM 393 CA LEU A 367 7.223 -2.339 -2.580 1.00 51.34 C ATOM 394 C LEU A 367 7.022 -1.667 -1.212 1.00 71.24 C ATOM 395 O LEU A 367 6.435 -2.251 -0.303 1.00 12.44 O ATOM 396 CB LEU A 367 8.546 -3.125 -2.732 1.00 52.13 C ATOM 397 CG LEU A 367 8.938 -4.209 -1.703 1.00 65.21 C ATOM 398 CD1 LEU A 367 7.768 -5.102 -1.319 1.00 21.35 C ATOM 399 CD2 LEU A 367 10.015 -5.074 -2.337 1.00 11.31 C ATOM 0 H LEU A 367 8.007 -1.319 -4.210 1.00 11.30 H new ATOM 0 HA LEU A 367 6.409 -3.061 -2.644 1.00 51.34 H new ATOM 0 HB2 LEU A 367 8.525 -3.604 -3.711 1.00 52.13 H new ATOM 0 HB3 LEU A 367 9.354 -2.394 -2.752 1.00 52.13 H new ATOM 0 HG LEU A 367 9.281 -3.712 -0.796 1.00 65.21 H new ATOM 0 HD11 LEU A 367 8.100 -5.845 -0.594 1.00 21.35 H new ATOM 0 HD12 LEU A 367 6.976 -4.495 -0.880 1.00 21.35 H new ATOM 0 HD13 LEU A 367 7.388 -5.606 -2.208 1.00 21.35 H new ATOM 0 HD21 LEU A 367 10.316 -5.852 -1.636 1.00 11.31 H new ATOM 0 HD22 LEU A 367 9.624 -5.535 -3.244 1.00 11.31 H new ATOM 0 HD23 LEU A 367 10.878 -4.456 -2.586 1.00 11.31 H new ATOM 411 N ASN A 368 7.458 -0.420 -1.106 1.00 63.33 N ATOM 412 CA ASN A 368 7.248 0.378 0.104 1.00 74.41 C ATOM 413 C ASN A 368 5.770 0.783 0.295 1.00 65.53 C ATOM 414 O ASN A 368 5.289 0.881 1.422 1.00 30.12 O ATOM 415 CB ASN A 368 8.197 1.610 0.171 1.00 50.55 C ATOM 416 CG ASN A 368 8.087 2.579 -1.015 1.00 34.23 C ATOM 417 OD1 ASN A 368 7.050 2.732 -1.627 1.00 10.51 O ATOM 418 ND2 ASN A 368 9.174 3.226 -1.343 1.00 53.31 N ATOM 0 H ASN A 368 7.963 0.068 -1.846 1.00 63.33 H new ATOM 0 HA ASN A 368 7.507 -0.269 0.942 1.00 74.41 H new ATOM 0 HB2 ASN A 368 7.991 2.159 1.090 1.00 50.55 H new ATOM 0 HB3 ASN A 368 9.225 1.254 0.236 1.00 50.55 H new ATOM 0 HD21 ASN A 368 9.163 3.876 -2.129 1.00 53.31 H new ATOM 0 HD22 ASN A 368 10.033 3.081 -0.813 1.00 53.31 H new ATOM 425 N GLU A 369 5.050 0.975 -0.807 1.00 31.24 N ATOM 426 CA GLU A 369 3.657 1.411 -0.753 1.00 1.23 C ATOM 427 C GLU A 369 2.755 0.295 -0.337 1.00 55.32 C ATOM 428 O GLU A 369 1.758 0.522 0.337 1.00 54.21 O ATOM 429 CB GLU A 369 3.213 1.995 -2.073 1.00 52.42 C ATOM 430 CG GLU A 369 3.993 3.207 -2.462 1.00 70.43 C ATOM 431 CD GLU A 369 3.603 3.742 -3.792 1.00 43.31 C ATOM 432 OE1 GLU A 369 3.851 3.077 -4.803 1.00 22.24 O ATOM 433 OE2 GLU A 369 3.080 4.856 -3.859 1.00 13.32 O ATOM 0 H GLU A 369 5.409 0.835 -1.751 1.00 31.24 H new ATOM 0 HA GLU A 369 3.590 2.196 0.001 1.00 1.23 H new ATOM 0 HB2 GLU A 369 3.313 1.239 -2.852 1.00 52.42 H new ATOM 0 HB3 GLU A 369 2.156 2.253 -2.014 1.00 52.42 H new ATOM 0 HG2 GLU A 369 3.851 3.982 -1.708 1.00 70.43 H new ATOM 0 HG3 GLU A 369 5.055 2.962 -2.472 1.00 70.43 H new ATOM 440 N ILE A 370 3.081 -0.917 -0.762 1.00 31.42 N ATOM 441 CA ILE A 370 2.376 -2.107 -0.295 1.00 41.53 C ATOM 442 C ILE A 370 2.387 -2.137 1.223 1.00 44.24 C ATOM 443 O ILE A 370 1.363 -2.369 1.854 1.00 43.03 O ATOM 444 CB ILE A 370 3.044 -3.368 -0.864 1.00 34.11 C ATOM 445 CG1 ILE A 370 2.877 -3.365 -2.378 1.00 13.35 C ATOM 446 CG2 ILE A 370 2.482 -4.665 -0.231 1.00 54.44 C ATOM 447 CD1 ILE A 370 3.612 -4.451 -3.055 1.00 71.34 C ATOM 0 H ILE A 370 3.829 -1.105 -1.430 1.00 31.42 H new ATOM 0 HA ILE A 370 1.343 -2.079 -0.641 1.00 41.53 H new ATOM 0 HB ILE A 370 4.105 -3.351 -0.613 1.00 34.11 H new ATOM 0 HG12 ILE A 370 1.817 -3.450 -2.619 1.00 13.35 H new ATOM 0 HG13 ILE A 370 3.217 -2.407 -2.771 1.00 13.35 H new ATOM 0 HG21 ILE A 370 2.985 -5.529 -0.665 1.00 54.44 H new ATOM 0 HG22 ILE A 370 2.653 -4.648 0.845 1.00 54.44 H new ATOM 0 HG23 ILE A 370 1.412 -4.732 -0.427 1.00 54.44 H new ATOM 0 HD11 ILE A 370 3.447 -4.387 -4.131 1.00 71.34 H new ATOM 0 HD12 ILE A 370 4.677 -4.355 -2.845 1.00 71.34 H new ATOM 0 HD13 ILE A 370 3.255 -5.414 -2.690 1.00 71.34 H new ATOM 459 N TYR A 371 3.544 -1.842 1.794 1.00 3.31 N ATOM 460 CA TYR A 371 3.684 -1.769 3.236 1.00 1.24 C ATOM 461 C TYR A 371 2.789 -0.672 3.805 1.00 71.12 C ATOM 462 O TYR A 371 2.090 -0.872 4.807 1.00 44.33 O ATOM 463 CB TYR A 371 5.127 -1.502 3.635 1.00 54.32 C ATOM 464 CG TYR A 371 6.128 -2.555 3.206 1.00 3.14 C ATOM 465 CD1 TYR A 371 5.869 -3.902 3.370 1.00 12.22 C ATOM 466 CD2 TYR A 371 7.354 -2.191 2.678 1.00 72.22 C ATOM 467 CE1 TYR A 371 6.799 -4.850 3.016 1.00 74.53 C ATOM 468 CE2 TYR A 371 8.287 -3.133 2.316 1.00 30.12 C ATOM 469 CZ TYR A 371 8.007 -4.461 2.485 1.00 21.42 C ATOM 470 OH TYR A 371 8.944 -5.409 2.134 1.00 44.31 O ATOM 0 H TYR A 371 4.402 -1.649 1.277 1.00 3.31 H new ATOM 0 HA TYR A 371 3.381 -2.733 3.645 1.00 1.24 H new ATOM 0 HB2 TYR A 371 5.431 -0.544 3.213 1.00 54.32 H new ATOM 0 HB3 TYR A 371 5.173 -1.402 4.719 1.00 54.32 H new ATOM 0 HD1 TYR A 371 4.921 -4.215 3.783 1.00 12.22 H new ATOM 0 HD2 TYR A 371 7.583 -1.144 2.547 1.00 72.22 H new ATOM 0 HE1 TYR A 371 6.582 -5.899 3.154 1.00 74.53 H new ATOM 0 HE2 TYR A 371 9.236 -2.826 1.901 1.00 30.12 H new ATOM 0 HH TYR A 371 9.740 -4.965 1.774 1.00 44.31 H new ATOM 480 N ASN A 372 2.803 0.472 3.143 1.00 51.12 N ATOM 481 CA ASN A 372 1.986 1.631 3.544 1.00 33.34 C ATOM 482 C ASN A 372 0.506 1.279 3.543 1.00 4.11 C ATOM 483 O ASN A 372 -0.235 1.707 4.424 1.00 74.12 O ATOM 484 CB ASN A 372 2.207 2.854 2.626 1.00 1.25 C ATOM 485 CG ASN A 372 3.625 3.395 2.626 1.00 75.43 C ATOM 486 OD1 ASN A 372 4.359 3.277 3.613 1.00 64.50 O ATOM 487 ND2 ASN A 372 4.012 4.011 1.530 1.00 41.12 N ATOM 0 H ASN A 372 3.375 0.635 2.314 1.00 51.12 H new ATOM 0 HA ASN A 372 2.306 1.894 4.552 1.00 33.34 H new ATOM 0 HB2 ASN A 372 1.936 2.580 1.606 1.00 1.25 H new ATOM 0 HB3 ASN A 372 1.528 3.650 2.933 1.00 1.25 H new ATOM 0 HD21 ASN A 372 4.948 4.412 1.474 1.00 41.12 H new ATOM 0 HD22 ASN A 372 3.376 4.087 0.736 1.00 41.12 H new ATOM 494 N TRP A 373 0.084 0.496 2.548 1.00 15.15 N ATOM 495 CA TRP A 373 -1.303 0.062 2.424 1.00 3.31 C ATOM 496 C TRP A 373 -1.740 -0.677 3.675 1.00 3.22 C ATOM 497 O TRP A 373 -2.788 -0.363 4.245 1.00 22.35 O ATOM 498 CB TRP A 373 -1.484 -0.834 1.192 1.00 32.52 C ATOM 499 CG TRP A 373 -2.908 -1.303 0.945 1.00 23.43 C ATOM 500 CD1 TRP A 373 -3.828 -0.726 0.116 1.00 44.42 C ATOM 501 CD2 TRP A 373 -3.561 -2.455 1.525 1.00 12.34 C ATOM 502 NE1 TRP A 373 -5.004 -1.442 0.132 1.00 25.31 N ATOM 503 CE2 TRP A 373 -4.867 -2.513 0.996 1.00 33.31 C ATOM 504 CE3 TRP A 373 -3.158 -3.436 2.437 1.00 73.53 C ATOM 505 CZ2 TRP A 373 -5.775 -3.531 1.357 1.00 22.52 C ATOM 506 CZ3 TRP A 373 -4.049 -4.428 2.790 1.00 11.34 C ATOM 507 CH2 TRP A 373 -5.337 -4.470 2.250 1.00 41.44 C ATOM 0 H TRP A 373 0.695 0.147 1.809 1.00 15.15 H new ATOM 0 HA TRP A 373 -1.927 0.948 2.302 1.00 3.31 H new ATOM 0 HB2 TRP A 373 -1.138 -0.291 0.312 1.00 32.52 H new ATOM 0 HB3 TRP A 373 -0.843 -1.709 1.300 1.00 32.52 H new ATOM 0 HD1 TRP A 373 -3.657 0.166 -0.469 1.00 44.42 H new ATOM 0 HE1 TRP A 373 -5.841 -1.219 -0.406 1.00 25.31 H new ATOM 0 HE3 TRP A 373 -2.164 -3.417 2.859 1.00 73.53 H new ATOM 0 HZ2 TRP A 373 -6.773 -3.567 0.946 1.00 22.52 H new ATOM 0 HZ3 TRP A 373 -3.746 -5.186 3.497 1.00 11.34 H new ATOM 0 HH2 TRP A 373 -6.005 -5.266 2.546 1.00 41.44 H new ATOM 518 N PHE A 374 -0.933 -1.644 4.106 1.00 62.01 N ATOM 519 CA PHE A 374 -1.239 -2.420 5.308 1.00 72.24 C ATOM 520 C PHE A 374 -1.312 -1.534 6.520 1.00 60.01 C ATOM 521 O PHE A 374 -2.253 -1.609 7.286 1.00 42.03 O ATOM 522 CB PHE A 374 -0.220 -3.543 5.557 1.00 52.21 C ATOM 523 CG PHE A 374 -0.259 -4.696 4.599 1.00 23.42 C ATOM 524 CD1 PHE A 374 0.485 -4.686 3.442 1.00 61.45 C ATOM 525 CD2 PHE A 374 -1.034 -5.803 4.876 1.00 74.24 C ATOM 526 CE1 PHE A 374 0.458 -5.758 2.573 1.00 34.12 C ATOM 527 CE2 PHE A 374 -1.065 -6.873 4.015 1.00 10.34 C ATOM 528 CZ PHE A 374 -0.318 -6.852 2.859 1.00 74.31 C ATOM 0 H PHE A 374 -0.064 -1.909 3.643 1.00 62.01 H new ATOM 0 HA PHE A 374 -2.212 -2.880 5.135 1.00 72.24 H new ATOM 0 HB2 PHE A 374 0.780 -3.110 5.532 1.00 52.21 H new ATOM 0 HB3 PHE A 374 -0.375 -3.929 6.564 1.00 52.21 H new ATOM 0 HD1 PHE A 374 1.098 -3.828 3.210 1.00 61.45 H new ATOM 0 HD2 PHE A 374 -1.623 -5.829 5.781 1.00 74.24 H new ATOM 0 HE1 PHE A 374 1.048 -5.735 1.668 1.00 34.12 H new ATOM 0 HE2 PHE A 374 -1.677 -7.733 4.246 1.00 10.34 H new ATOM 0 HZ PHE A 374 -0.343 -7.692 2.181 1.00 74.31 H new ATOM 538 N ALA A 375 -0.331 -0.686 6.667 1.00 70.30 N ATOM 539 CA ALA A 375 -0.250 0.215 7.813 1.00 31.02 C ATOM 540 C ALA A 375 -1.456 1.161 7.869 1.00 71.13 C ATOM 541 O ALA A 375 -2.001 1.443 8.936 1.00 61.44 O ATOM 542 CB ALA A 375 1.051 0.995 7.766 1.00 63.13 C ATOM 0 H ALA A 375 0.439 -0.590 6.005 1.00 70.30 H new ATOM 0 HA ALA A 375 -0.268 -0.385 8.723 1.00 31.02 H new ATOM 0 HB1 ALA A 375 1.105 1.665 8.624 1.00 63.13 H new ATOM 0 HB2 ALA A 375 1.892 0.302 7.794 1.00 63.13 H new ATOM 0 HB3 ALA A 375 1.092 1.579 6.846 1.00 63.13 H new ATOM 548 N SER A 376 -1.869 1.613 6.725 1.00 3.41 N ATOM 549 CA SER A 376 -2.970 2.534 6.614 1.00 22.24 C ATOM 550 C SER A 376 -4.347 1.845 6.740 1.00 70.14 C ATOM 551 O SER A 376 -5.269 2.392 7.360 1.00 13.44 O ATOM 552 CB SER A 376 -2.878 3.273 5.288 1.00 32.42 C ATOM 553 OG SER A 376 -1.620 3.930 5.161 1.00 62.30 O ATOM 0 H SER A 376 -1.451 1.354 5.831 1.00 3.41 H new ATOM 0 HA SER A 376 -2.893 3.234 7.446 1.00 22.24 H new ATOM 0 HB2 SER A 376 -3.011 2.571 4.465 1.00 32.42 H new ATOM 0 HB3 SER A 376 -3.684 4.004 5.217 1.00 32.42 H new ATOM 0 HG SER A 376 -0.941 3.284 4.875 1.00 62.30 H new ATOM 559 N ASN A 377 -4.488 0.656 6.172 1.00 15.35 N ATOM 560 CA ASN A 377 -5.797 0.006 6.134 1.00 54.33 C ATOM 561 C ASN A 377 -6.003 -0.983 7.255 1.00 2.21 C ATOM 562 O ASN A 377 -7.140 -1.283 7.629 1.00 44.13 O ATOM 563 CB ASN A 377 -6.095 -0.614 4.751 1.00 73.13 C ATOM 564 CG ASN A 377 -6.240 0.440 3.666 1.00 43.53 C ATOM 565 OD1 ASN A 377 -7.340 0.937 3.411 1.00 2.24 O ATOM 566 ND2 ASN A 377 -5.150 0.788 3.023 1.00 75.04 N ATOM 0 H ASN A 377 -3.731 0.128 5.738 1.00 15.35 H new ATOM 0 HA ASN A 377 -6.529 0.797 6.298 1.00 54.33 H new ATOM 0 HB2 ASN A 377 -5.292 -1.301 4.482 1.00 73.13 H new ATOM 0 HB3 ASN A 377 -7.011 -1.202 4.808 1.00 73.13 H new ATOM 0 HD21 ASN A 377 -5.196 1.491 2.285 1.00 75.04 H new ATOM 0 HD22 ASN A 377 -4.257 0.356 3.261 1.00 75.04 H new ATOM 573 N VAL A 378 -4.936 -1.486 7.800 1.00 13.44 N ATOM 574 CA VAL A 378 -5.022 -2.399 8.905 1.00 50.13 C ATOM 575 C VAL A 378 -4.549 -1.686 10.165 1.00 65.35 C ATOM 576 O VAL A 378 -3.366 -1.352 10.290 1.00 44.02 O ATOM 577 CB VAL A 378 -4.178 -3.676 8.667 1.00 51.11 C ATOM 578 CG1 VAL A 378 -4.301 -4.641 9.838 1.00 71.31 C ATOM 579 CG2 VAL A 378 -4.586 -4.357 7.370 1.00 11.35 C ATOM 0 H VAL A 378 -3.985 -1.278 7.495 1.00 13.44 H new ATOM 0 HA VAL A 378 -6.059 -2.716 9.014 1.00 50.13 H new ATOM 0 HB VAL A 378 -3.133 -3.375 8.585 1.00 51.11 H new ATOM 0 HG11 VAL A 378 -3.698 -5.528 9.643 1.00 71.31 H new ATOM 0 HG12 VAL A 378 -3.949 -4.155 10.748 1.00 71.31 H new ATOM 0 HG13 VAL A 378 -5.344 -4.931 9.962 1.00 71.31 H new ATOM 0 HG21 VAL A 378 -3.981 -5.251 7.223 1.00 11.35 H new ATOM 0 HG22 VAL A 378 -5.639 -4.636 7.421 1.00 11.35 H new ATOM 0 HG23 VAL A 378 -4.432 -3.673 6.536 1.00 11.35 H new ATOM 589 N PRO A 379 -5.480 -1.418 11.100 1.00 15.01 N ATOM 590 CA PRO A 379 -5.191 -0.712 12.346 1.00 70.23 C ATOM 591 C PRO A 379 -3.989 -1.291 13.107 1.00 22.33 C ATOM 592 O PRO A 379 -3.208 -0.546 13.703 1.00 61.31 O ATOM 593 CB PRO A 379 -6.467 -0.853 13.171 1.00 63.42 C ATOM 594 CG PRO A 379 -7.542 -1.259 12.231 1.00 54.12 C ATOM 595 CD PRO A 379 -6.904 -1.772 10.985 1.00 31.14 C ATOM 0 HA PRO A 379 -4.918 0.324 12.147 1.00 70.23 H new ATOM 0 HB2 PRO A 379 -6.339 -1.597 13.957 1.00 63.42 H new ATOM 0 HB3 PRO A 379 -6.717 0.088 13.661 1.00 63.42 H new ATOM 0 HG2 PRO A 379 -8.169 -2.028 12.681 1.00 54.12 H new ATOM 0 HG3 PRO A 379 -8.189 -0.412 12.005 1.00 54.12 H new ATOM 0 HD2 PRO A 379 -7.034 -2.850 10.892 1.00 31.14 H new ATOM 0 HD3 PRO A 379 -7.351 -1.319 10.100 1.00 31.14 H new ATOM 603 N TYR A 380 -3.833 -2.612 13.066 1.00 25.05 N ATOM 604 CA TYR A 380 -2.715 -3.268 13.717 1.00 50.05 C ATOM 605 C TYR A 380 -1.381 -2.754 13.176 1.00 71.35 C ATOM 606 O TYR A 380 -0.469 -2.452 13.941 1.00 63.52 O ATOM 607 CB TYR A 380 -2.814 -4.787 13.552 1.00 5.43 C ATOM 608 CG TYR A 380 -1.661 -5.534 14.163 1.00 41.44 C ATOM 609 CD1 TYR A 380 -1.534 -5.634 15.537 1.00 63.43 C ATOM 610 CD2 TYR A 380 -0.690 -6.118 13.367 1.00 54.42 C ATOM 611 CE1 TYR A 380 -0.475 -6.299 16.101 1.00 63.13 C ATOM 612 CE2 TYR A 380 0.376 -6.783 13.922 1.00 43.54 C ATOM 613 CZ TYR A 380 0.482 -6.872 15.290 1.00 22.23 C ATOM 614 OH TYR A 380 1.549 -7.532 15.849 1.00 24.54 O ATOM 0 H TYR A 380 -4.472 -3.246 12.586 1.00 25.05 H new ATOM 0 HA TYR A 380 -2.759 -3.030 14.780 1.00 50.05 H new ATOM 0 HB2 TYR A 380 -3.742 -5.134 14.006 1.00 5.43 H new ATOM 0 HB3 TYR A 380 -2.869 -5.026 12.490 1.00 5.43 H new ATOM 0 HD1 TYR A 380 -2.279 -5.182 16.175 1.00 63.43 H new ATOM 0 HD2 TYR A 380 -0.772 -6.049 12.292 1.00 54.42 H new ATOM 0 HE1 TYR A 380 -0.391 -6.373 17.175 1.00 63.13 H new ATOM 0 HE2 TYR A 380 1.126 -7.233 13.288 1.00 43.54 H new ATOM 0 HH TYR A 380 1.886 -8.202 15.218 1.00 24.54 H new ATOM 624 N PHE A 381 -1.286 -2.611 11.866 1.00 54.45 N ATOM 625 CA PHE A 381 -0.052 -2.174 11.253 1.00 24.20 C ATOM 626 C PHE A 381 0.192 -0.714 11.444 1.00 74.40 C ATOM 627 O PHE A 381 1.335 -0.279 11.470 1.00 63.31 O ATOM 628 CB PHE A 381 0.081 -2.597 9.813 1.00 74.41 C ATOM 629 CG PHE A 381 0.136 -4.064 9.658 1.00 73.10 C ATOM 630 CD1 PHE A 381 1.074 -4.805 10.347 1.00 53.22 C ATOM 631 CD2 PHE A 381 -0.735 -4.706 8.831 1.00 14.25 C ATOM 632 CE1 PHE A 381 1.131 -6.160 10.208 1.00 31.15 C ATOM 633 CE2 PHE A 381 -0.687 -6.053 8.683 1.00 61.12 C ATOM 634 CZ PHE A 381 0.253 -6.786 9.376 1.00 40.13 C ATOM 0 H PHE A 381 -2.047 -2.791 11.211 1.00 54.45 H new ATOM 0 HA PHE A 381 0.743 -2.696 11.786 1.00 24.20 H new ATOM 0 HB2 PHE A 381 -0.762 -2.206 9.243 1.00 74.41 H new ATOM 0 HB3 PHE A 381 0.984 -2.156 9.390 1.00 74.41 H new ATOM 0 HD1 PHE A 381 1.771 -4.306 11.004 1.00 53.22 H new ATOM 0 HD2 PHE A 381 -1.473 -4.135 8.287 1.00 14.25 H new ATOM 0 HE1 PHE A 381 1.867 -6.733 10.753 1.00 31.15 H new ATOM 0 HE2 PHE A 381 -1.383 -6.550 8.024 1.00 61.12 H new ATOM 0 HZ PHE A 381 0.293 -7.859 9.259 1.00 40.13 H new ATOM 644 N GLY A 382 -0.873 0.049 11.579 1.00 24.31 N ATOM 645 CA GLY A 382 -0.740 1.465 11.870 1.00 2.42 C ATOM 646 C GLY A 382 -0.029 1.691 13.214 1.00 11.12 C ATOM 647 O GLY A 382 0.544 2.748 13.458 1.00 72.54 O ATOM 0 H GLY A 382 -1.834 -0.282 11.493 1.00 24.31 H new ATOM 0 HA2 GLY A 382 -0.179 1.952 11.072 1.00 2.42 H new ATOM 0 HA3 GLY A 382 -1.726 1.928 11.895 1.00 2.42 H new ATOM 651 N ASN A 383 -0.070 0.670 14.068 1.00 52.52 N ATOM 652 CA ASN A 383 0.600 0.675 15.363 1.00 42.01 C ATOM 653 C ASN A 383 1.950 -0.055 15.281 1.00 62.35 C ATOM 654 O ASN A 383 2.654 -0.223 16.283 1.00 0.05 O ATOM 655 CB ASN A 383 -0.295 0.025 16.432 1.00 65.53 C ATOM 656 CG ASN A 383 -1.513 0.863 16.802 1.00 54.32 C ATOM 657 OD1 ASN A 383 -1.454 1.699 17.712 1.00 64.22 O ATOM 658 ND2 ASN A 383 -2.608 0.657 16.122 1.00 4.45 N ATOM 0 H ASN A 383 -0.577 -0.194 13.876 1.00 52.52 H new ATOM 0 HA ASN A 383 0.787 1.711 15.646 1.00 42.01 H new ATOM 0 HB2 ASN A 383 -0.630 -0.947 16.071 1.00 65.53 H new ATOM 0 HB3 ASN A 383 0.297 -0.155 17.329 1.00 65.53 H new ATOM 0 HD21 ASN A 383 -3.449 1.193 16.335 1.00 4.45 H new ATOM 0 HD22 ASN A 383 -2.623 -0.040 15.378 1.00 4.45 H new ATOM 665 N ARG A 384 2.300 -0.476 14.083 1.00 22.44 N ATOM 666 CA ARG A 384 3.554 -1.177 13.811 1.00 44.21 C ATOM 667 C ARG A 384 4.447 -0.308 12.950 1.00 34.33 C ATOM 668 O ARG A 384 5.478 -0.749 12.520 1.00 34.34 O ATOM 669 CB ARG A 384 3.282 -2.475 13.020 1.00 61.02 C ATOM 670 CG ARG A 384 2.520 -3.580 13.735 1.00 75.33 C ATOM 671 CD ARG A 384 3.353 -4.275 14.799 1.00 63.03 C ATOM 672 NE ARG A 384 4.568 -4.890 14.243 1.00 63.24 N ATOM 673 CZ ARG A 384 4.937 -6.175 14.398 1.00 41.00 C ATOM 674 NH1 ARG A 384 4.116 -7.061 14.964 1.00 52.40 N ATOM 675 NH2 ARG A 384 6.136 -6.571 13.962 1.00 1.44 N ATOM 0 H ARG A 384 1.719 -0.343 13.255 1.00 22.44 H new ATOM 0 HA ARG A 384 4.028 -1.404 14.766 1.00 44.21 H new ATOM 0 HB2 ARG A 384 2.728 -2.211 12.119 1.00 61.02 H new ATOM 0 HB3 ARG A 384 4.241 -2.881 12.697 1.00 61.02 H new ATOM 0 HG2 ARG A 384 1.627 -3.159 14.197 1.00 75.33 H new ATOM 0 HG3 ARG A 384 2.185 -4.316 13.004 1.00 75.33 H new ATOM 0 HD2 ARG A 384 3.632 -3.554 15.567 1.00 63.03 H new ATOM 0 HD3 ARG A 384 2.750 -5.042 15.286 1.00 63.03 H new ATOM 0 HE ARG A 384 5.184 -4.291 13.693 1.00 63.24 H new ATOM 0 HH11 ARG A 384 3.194 -6.768 15.287 1.00 52.40 H new ATOM 0 HH12 ARG A 384 4.411 -8.031 15.074 1.00 52.40 H new ATOM 0 HH21 ARG A 384 6.763 -5.902 13.516 1.00 1.44 H new ATOM 0 HH22 ARG A 384 6.424 -7.543 14.075 1.00 1.44 H new ATOM 689 N THR A 385 4.062 0.935 12.746 1.00 4.23 N ATOM 690 CA THR A 385 4.729 1.832 11.791 1.00 30.43 C ATOM 691 C THR A 385 6.120 2.339 12.227 1.00 52.43 C ATOM 692 O THR A 385 6.687 3.226 11.587 1.00 4.34 O ATOM 693 CB THR A 385 3.835 3.033 11.473 1.00 75.12 C ATOM 694 OG1 THR A 385 3.405 3.645 12.700 1.00 23.02 O ATOM 695 CG2 THR A 385 2.636 2.600 10.669 1.00 24.14 C ATOM 0 H THR A 385 3.276 1.365 13.234 1.00 4.23 H new ATOM 0 HA THR A 385 4.896 1.218 10.906 1.00 30.43 H new ATOM 0 HB THR A 385 4.404 3.753 10.885 1.00 75.12 H new ATOM 0 HG1 THR A 385 2.497 3.345 12.915 1.00 23.02 H new ATOM 0 HG21 THR A 385 2.011 3.466 10.452 1.00 24.14 H new ATOM 0 HG22 THR A 385 2.968 2.149 9.734 1.00 24.14 H new ATOM 0 HG23 THR A 385 2.060 1.871 11.239 1.00 24.14 H new ATOM 703 N SER A 386 6.676 1.783 13.265 1.00 41.54 N ATOM 704 CA SER A 386 7.978 2.202 13.680 1.00 72.11 C ATOM 705 C SER A 386 8.969 1.339 12.930 1.00 44.12 C ATOM 706 O SER A 386 8.691 0.186 12.721 1.00 53.14 O ATOM 707 CB SER A 386 8.119 2.045 15.181 1.00 72.25 C ATOM 708 OG SER A 386 7.080 2.741 15.857 1.00 55.32 O ATOM 0 H SER A 386 6.253 1.048 13.831 1.00 41.54 H new ATOM 0 HA SER A 386 8.155 3.254 13.458 1.00 72.11 H new ATOM 0 HB2 SER A 386 8.088 0.988 15.446 1.00 72.25 H new ATOM 0 HB3 SER A 386 9.088 2.426 15.502 1.00 72.25 H new ATOM 0 HG SER A 386 7.186 2.627 16.825 1.00 55.32 H new ATOM 714 N GLN A 387 10.103 1.888 12.522 1.00 34.43 N ATOM 715 CA GLN A 387 11.049 1.164 11.654 1.00 33.25 C ATOM 716 C GLN A 387 11.382 -0.265 12.116 1.00 4.13 C ATOM 717 O GLN A 387 11.263 -1.206 11.325 1.00 4.22 O ATOM 718 CB GLN A 387 12.309 1.976 11.355 1.00 31.13 C ATOM 719 CG GLN A 387 13.096 2.408 12.575 1.00 5.42 C ATOM 720 CD GLN A 387 14.342 3.187 12.220 1.00 11.05 C ATOM 721 OE1 GLN A 387 14.930 2.882 11.096 1.00 44.42 O flip ATOM 722 NE2 GLN A 387 14.779 4.051 12.969 1.00 4.44 N flip ATOM 0 H GLN A 387 10.400 2.831 12.772 1.00 34.43 H new ATOM 0 HA GLN A 387 10.509 1.038 10.716 1.00 33.25 H new ATOM 0 HB2 GLN A 387 12.960 1.384 10.712 1.00 31.13 H new ATOM 0 HB3 GLN A 387 12.025 2.864 10.791 1.00 31.13 H new ATOM 0 HG2 GLN A 387 12.460 3.020 13.215 1.00 5.42 H new ATOM 0 HG3 GLN A 387 13.376 1.527 13.153 1.00 5.42 H new ATOM 0 HE21 GLN A 387 14.293 4.264 13.840 1.00 4.44 H new ATOM 0 HE22 GLN A 387 15.629 4.558 12.722 1.00 4.44 H new ATOM 731 N GLU A 388 11.731 -0.442 13.382 1.00 54.23 N ATOM 732 CA GLU A 388 12.058 -1.770 13.887 1.00 10.20 C ATOM 733 C GLU A 388 10.788 -2.593 14.096 1.00 14.10 C ATOM 734 O GLU A 388 10.789 -3.810 13.921 1.00 2.23 O ATOM 735 CB GLU A 388 12.871 -1.693 15.177 1.00 52.33 C ATOM 736 CG GLU A 388 14.193 -0.963 15.031 1.00 15.55 C ATOM 737 CD GLU A 388 15.118 -1.626 14.043 1.00 52.35 C ATOM 738 OE1 GLU A 388 15.813 -2.590 14.426 1.00 71.34 O ATOM 739 OE2 GLU A 388 15.170 -1.199 12.874 1.00 11.34 O ATOM 0 H GLU A 388 11.795 0.306 14.072 1.00 54.23 H new ATOM 0 HA GLU A 388 12.674 -2.268 13.138 1.00 10.20 H new ATOM 0 HB2 GLU A 388 12.275 -1.194 15.941 1.00 52.33 H new ATOM 0 HB3 GLU A 388 13.064 -2.705 15.534 1.00 52.33 H new ATOM 0 HG2 GLU A 388 14.004 0.062 14.714 1.00 15.55 H new ATOM 0 HG3 GLU A 388 14.684 -0.911 16.003 1.00 15.55 H new ATOM 746 N GLN A 389 9.699 -1.920 14.441 1.00 23.22 N ATOM 747 CA GLN A 389 8.419 -2.575 14.631 1.00 44.40 C ATOM 748 C GLN A 389 7.763 -2.970 13.341 1.00 32.52 C ATOM 749 O GLN A 389 6.850 -3.780 13.316 1.00 64.33 O ATOM 750 CB GLN A 389 7.491 -1.721 15.393 1.00 70.14 C ATOM 751 CG GLN A 389 7.967 -1.439 16.795 1.00 13.11 C ATOM 752 CD GLN A 389 6.871 -0.887 17.605 1.00 72.12 C ATOM 753 OE1 GLN A 389 5.951 -0.286 16.950 1.00 51.11 O flip ATOM 754 NE2 GLN A 389 6.821 -1.046 18.825 1.00 10.43 N flip ATOM 0 H GLN A 389 9.681 -0.912 14.595 1.00 23.22 H new ATOM 0 HA GLN A 389 8.637 -3.484 15.192 1.00 44.40 H new ATOM 0 HB2 GLN A 389 7.357 -0.777 14.864 1.00 70.14 H new ATOM 0 HB3 GLN A 389 6.515 -2.204 15.437 1.00 70.14 H new ATOM 0 HG2 GLN A 389 8.339 -2.356 17.251 1.00 13.11 H new ATOM 0 HG3 GLN A 389 8.799 -0.735 16.769 1.00 13.11 H new ATOM 0 HE21 GLN A 389 7.577 -1.532 19.307 1.00 10.43 H new ATOM 0 HE22 GLN A 389 6.023 -0.692 19.353 1.00 10.43 H new ATOM 763 N SER A 390 8.209 -2.395 12.277 1.00 45.22 N ATOM 764 CA SER A 390 7.607 -2.623 11.013 1.00 60.04 C ATOM 765 C SER A 390 8.454 -3.558 10.149 1.00 5.30 C ATOM 766 O SER A 390 7.918 -4.379 9.400 1.00 12.23 O ATOM 767 CB SER A 390 7.370 -1.274 10.331 1.00 1.23 C ATOM 768 OG SER A 390 6.558 -1.392 9.205 1.00 73.14 O ATOM 0 H SER A 390 9.002 -1.754 12.261 1.00 45.22 H new ATOM 0 HA SER A 390 6.649 -3.124 11.152 1.00 60.04 H new ATOM 0 HB2 SER A 390 6.909 -0.586 11.040 1.00 1.23 H new ATOM 0 HB3 SER A 390 8.328 -0.840 10.043 1.00 1.23 H new ATOM 0 HG SER A 390 5.869 -2.069 9.368 1.00 73.14 H new ATOM 774 N ALA A 391 9.776 -3.473 10.303 1.00 1.12 N ATOM 775 CA ALA A 391 10.718 -4.247 9.487 1.00 51.44 C ATOM 776 C ALA A 391 10.436 -5.743 9.508 1.00 13.02 C ATOM 777 O ALA A 391 10.579 -6.410 8.493 1.00 74.32 O ATOM 778 CB ALA A 391 12.141 -3.986 9.924 1.00 35.15 C ATOM 0 H ALA A 391 10.224 -2.870 10.993 1.00 1.12 H new ATOM 0 HA ALA A 391 10.581 -3.909 8.460 1.00 51.44 H new ATOM 0 HB1 ALA A 391 12.824 -4.569 9.307 1.00 35.15 H new ATOM 0 HB2 ALA A 391 12.367 -2.926 9.813 1.00 35.15 H new ATOM 0 HB3 ALA A 391 12.260 -4.275 10.968 1.00 35.15 H new ATOM 784 N GLY A 392 10.007 -6.250 10.650 1.00 73.24 N ATOM 785 CA GLY A 392 9.752 -7.663 10.791 1.00 51.32 C ATOM 786 C GLY A 392 8.573 -8.141 9.986 1.00 32.40 C ATOM 787 O GLY A 392 8.683 -9.135 9.259 1.00 75.21 O ATOM 0 H GLY A 392 9.829 -5.700 11.490 1.00 73.24 H new ATOM 0 HA2 GLY A 392 10.640 -8.217 10.486 1.00 51.32 H new ATOM 0 HA3 GLY A 392 9.580 -7.891 11.843 1.00 51.32 H new ATOM 791 N TRP A 393 7.436 -7.442 10.079 1.00 14.42 N ATOM 792 CA TRP A 393 6.280 -7.877 9.323 1.00 2.11 C ATOM 793 C TRP A 393 6.498 -7.621 7.829 1.00 55.24 C ATOM 794 O TRP A 393 6.028 -8.390 6.979 1.00 22.05 O ATOM 795 CB TRP A 393 4.918 -7.339 9.863 1.00 12.42 C ATOM 796 CG TRP A 393 4.745 -5.866 9.841 1.00 55.22 C ATOM 797 CD1 TRP A 393 5.074 -4.995 10.817 1.00 34.42 C ATOM 798 CD2 TRP A 393 4.159 -5.100 8.793 1.00 3.13 C ATOM 799 NE1 TRP A 393 4.764 -3.714 10.425 1.00 63.44 N ATOM 800 CE2 TRP A 393 4.200 -3.754 9.186 1.00 31.33 C ATOM 801 CE3 TRP A 393 3.618 -5.428 7.557 1.00 41.12 C ATOM 802 CZ2 TRP A 393 3.720 -2.719 8.383 1.00 45.24 C ATOM 803 CZ3 TRP A 393 3.134 -4.410 6.753 1.00 12.31 C ATOM 804 CH2 TRP A 393 3.193 -3.068 7.166 1.00 64.41 C ATOM 0 H TRP A 393 7.302 -6.607 10.649 1.00 14.42 H new ATOM 0 HA TRP A 393 6.190 -8.954 9.466 1.00 2.11 H new ATOM 0 HB2 TRP A 393 4.115 -7.788 9.278 1.00 12.42 H new ATOM 0 HB3 TRP A 393 4.795 -7.684 10.890 1.00 12.42 H new ATOM 0 HD1 TRP A 393 5.515 -5.264 11.765 1.00 34.42 H new ATOM 0 HE1 TRP A 393 4.930 -2.870 10.974 1.00 63.44 H new ATOM 0 HE3 TRP A 393 3.576 -6.456 7.229 1.00 41.12 H new ATOM 0 HZ2 TRP A 393 3.762 -1.689 8.705 1.00 45.24 H new ATOM 0 HZ3 TRP A 393 2.704 -4.651 5.792 1.00 12.31 H new ATOM 0 HH2 TRP A 393 2.816 -2.296 6.512 1.00 64.41 H new ATOM 815 N LYS A 394 7.259 -6.554 7.513 1.00 11.23 N ATOM 816 CA LYS A 394 7.668 -6.279 6.147 1.00 25.22 C ATOM 817 C LYS A 394 8.543 -7.379 5.613 1.00 75.45 C ATOM 818 O LYS A 394 8.428 -7.768 4.449 1.00 21.54 O ATOM 819 CB LYS A 394 8.442 -4.982 6.074 1.00 25.30 C ATOM 820 CG LYS A 394 7.607 -3.784 6.333 1.00 52.24 C ATOM 821 CD LYS A 394 8.419 -2.521 6.292 1.00 62.22 C ATOM 822 CE LYS A 394 7.515 -1.352 6.478 1.00 64.23 C ATOM 823 NZ LYS A 394 8.215 -0.061 6.379 1.00 52.44 N ATOM 0 H LYS A 394 7.596 -5.876 8.196 1.00 11.23 H new ATOM 0 HA LYS A 394 6.761 -6.208 5.547 1.00 25.22 H new ATOM 0 HB2 LYS A 394 9.256 -5.012 6.798 1.00 25.30 H new ATOM 0 HB3 LYS A 394 8.896 -4.893 5.087 1.00 25.30 H new ATOM 0 HG2 LYS A 394 6.810 -3.729 5.591 1.00 52.24 H new ATOM 0 HG3 LYS A 394 7.129 -3.878 7.308 1.00 52.24 H new ATOM 0 HD2 LYS A 394 9.178 -2.537 7.074 1.00 62.22 H new ATOM 0 HD3 LYS A 394 8.944 -2.442 5.340 1.00 62.22 H new ATOM 0 HE2 LYS A 394 6.724 -1.389 5.729 1.00 64.23 H new ATOM 0 HE3 LYS A 394 7.033 -1.424 7.453 1.00 64.23 H new ATOM 0 HZ1 LYS A 394 7.535 0.714 6.517 1.00 52.44 H new ATOM 0 HZ2 LYS A 394 8.952 -0.009 7.111 1.00 52.44 H new ATOM 0 HZ3 LYS A 394 8.653 0.025 5.440 1.00 52.44 H new ATOM 837 N ASN A 395 9.403 -7.898 6.470 1.00 71.13 N ATOM 838 CA ASN A 395 10.369 -8.905 6.071 1.00 41.13 C ATOM 839 C ASN A 395 9.661 -10.183 5.650 1.00 50.54 C ATOM 840 O ASN A 395 10.088 -10.860 4.721 1.00 24.33 O ATOM 841 CB ASN A 395 11.367 -9.160 7.209 1.00 3.14 C ATOM 842 CG ASN A 395 12.513 -10.079 6.833 1.00 34.31 C ATOM 843 OD1 ASN A 395 12.932 -10.137 5.673 1.00 32.31 O ATOM 844 ND2 ASN A 395 13.034 -10.785 7.807 1.00 40.51 N ATOM 0 H ASN A 395 9.452 -7.636 7.455 1.00 71.13 H new ATOM 0 HA ASN A 395 10.929 -8.541 5.210 1.00 41.13 H new ATOM 0 HB2 ASN A 395 11.775 -8.205 7.541 1.00 3.14 H new ATOM 0 HB3 ASN A 395 10.833 -9.590 8.056 1.00 3.14 H new ATOM 0 HD21 ASN A 395 13.816 -11.412 7.620 1.00 40.51 H new ATOM 0 HD22 ASN A 395 12.657 -10.707 8.752 1.00 40.51 H new ATOM 851 N SER A 396 8.552 -10.481 6.303 1.00 52.43 N ATOM 852 CA SER A 396 7.768 -11.652 5.971 1.00 62.43 C ATOM 853 C SER A 396 7.127 -11.468 4.574 1.00 11.10 C ATOM 854 O SER A 396 7.186 -12.370 3.726 1.00 62.22 O ATOM 855 CB SER A 396 6.706 -11.901 7.049 1.00 61.50 C ATOM 856 OG SER A 396 6.061 -13.144 6.857 1.00 25.42 O ATOM 0 H SER A 396 8.175 -9.924 7.070 1.00 52.43 H new ATOM 0 HA SER A 396 8.415 -12.528 5.937 1.00 62.43 H new ATOM 0 HB2 SER A 396 7.172 -11.879 8.034 1.00 61.50 H new ATOM 0 HB3 SER A 396 5.968 -11.099 7.028 1.00 61.50 H new ATOM 0 HG SER A 396 5.110 -13.056 7.075 1.00 25.42 H new ATOM 862 N ILE A 397 6.550 -10.275 4.334 1.00 34.25 N ATOM 863 CA ILE A 397 5.978 -9.921 3.022 1.00 3.32 C ATOM 864 C ILE A 397 7.058 -10.032 1.944 1.00 34.54 C ATOM 865 O ILE A 397 6.853 -10.654 0.897 1.00 70.51 O ATOM 866 CB ILE A 397 5.411 -8.453 3.018 1.00 74.14 C ATOM 867 CG1 ILE A 397 4.176 -8.328 3.920 1.00 14.43 C ATOM 868 CG2 ILE A 397 5.074 -7.990 1.594 1.00 53.32 C ATOM 869 CD1 ILE A 397 3.705 -6.907 4.139 1.00 63.31 C ATOM 0 H ILE A 397 6.468 -9.538 5.035 1.00 34.25 H new ATOM 0 HA ILE A 397 5.160 -10.612 2.818 1.00 3.32 H new ATOM 0 HB ILE A 397 6.193 -7.806 3.415 1.00 74.14 H new ATOM 0 HG12 ILE A 397 3.361 -8.905 3.482 1.00 14.43 H new ATOM 0 HG13 ILE A 397 4.401 -8.777 4.888 1.00 14.43 H new ATOM 0 HG21 ILE A 397 4.685 -6.972 1.625 1.00 53.32 H new ATOM 0 HG22 ILE A 397 5.975 -8.016 0.980 1.00 53.32 H new ATOM 0 HG23 ILE A 397 4.323 -8.653 1.164 1.00 53.32 H new ATOM 0 HD11 ILE A 397 2.829 -6.910 4.787 1.00 63.31 H new ATOM 0 HD12 ILE A 397 4.501 -6.328 4.607 1.00 63.31 H new ATOM 0 HD13 ILE A 397 3.446 -6.458 3.180 1.00 63.31 H new ATOM 881 N ARG A 398 8.210 -9.442 2.231 1.00 14.32 N ATOM 882 CA ARG A 398 9.314 -9.403 1.340 1.00 73.13 C ATOM 883 C ARG A 398 9.794 -10.848 1.036 1.00 61.03 C ATOM 884 O ARG A 398 10.120 -11.166 -0.108 1.00 43.42 O ATOM 885 CB ARG A 398 10.405 -8.588 2.021 1.00 1.24 C ATOM 886 CG ARG A 398 11.366 -7.851 1.114 1.00 1.21 C ATOM 887 CD ARG A 398 12.108 -8.756 0.164 1.00 65.34 C ATOM 888 NE ARG A 398 13.118 -8.042 -0.614 1.00 61.23 N ATOM 889 CZ ARG A 398 14.126 -8.627 -1.274 1.00 33.32 C ATOM 890 NH1 ARG A 398 14.281 -9.949 -1.228 1.00 41.51 N ATOM 891 NH2 ARG A 398 14.982 -7.887 -1.963 1.00 32.30 N ATOM 0 H ARG A 398 8.386 -8.971 3.118 1.00 14.32 H new ATOM 0 HA ARG A 398 9.046 -8.945 0.388 1.00 73.13 H new ATOM 0 HB2 ARG A 398 9.927 -7.859 2.676 1.00 1.24 H new ATOM 0 HB3 ARG A 398 10.983 -9.258 2.658 1.00 1.24 H new ATOM 0 HG2 ARG A 398 10.813 -7.108 0.539 1.00 1.21 H new ATOM 0 HG3 ARG A 398 12.087 -7.309 1.725 1.00 1.21 H new ATOM 0 HD2 ARG A 398 12.587 -9.556 0.729 1.00 65.34 H new ATOM 0 HD3 ARG A 398 11.397 -9.227 -0.515 1.00 65.34 H new ATOM 0 HE ARG A 398 13.051 -7.025 -0.658 1.00 61.23 H new ATOM 0 HH11 ARG A 398 13.631 -10.520 -0.689 1.00 41.51 H new ATOM 0 HH12 ARG A 398 15.050 -10.390 -1.732 1.00 41.51 H new ATOM 0 HH21 ARG A 398 14.873 -6.873 -1.990 1.00 32.30 H new ATOM 0 HH22 ARG A 398 15.750 -8.331 -2.466 1.00 32.30 H new ATOM 905 N HIS A 399 9.824 -11.709 2.066 1.00 41.41 N ATOM 906 CA HIS A 399 10.217 -13.118 1.878 1.00 61.45 C ATOM 907 C HIS A 399 9.280 -13.835 0.947 1.00 30.33 C ATOM 908 O HIS A 399 9.714 -14.441 -0.011 1.00 74.34 O ATOM 909 CB HIS A 399 10.302 -13.906 3.192 1.00 62.01 C ATOM 910 CG HIS A 399 11.454 -13.570 4.079 1.00 15.10 C ATOM 911 ND1 HIS A 399 11.464 -13.857 5.418 1.00 61.34 N ATOM 912 CD2 HIS A 399 12.661 -13.032 3.808 1.00 75.24 C ATOM 913 CE1 HIS A 399 12.613 -13.517 5.930 1.00 22.41 C ATOM 914 NE2 HIS A 399 13.362 -13.014 4.979 1.00 24.40 N ATOM 0 H HIS A 399 9.585 -11.461 3.026 1.00 41.41 H new ATOM 0 HA HIS A 399 11.215 -13.076 1.442 1.00 61.45 H new ATOM 0 HB2 HIS A 399 9.380 -13.745 3.750 1.00 62.01 H new ATOM 0 HB3 HIS A 399 10.349 -14.969 2.954 1.00 62.01 H new ATOM 0 HD2 HIS A 399 13.007 -12.682 2.847 1.00 75.24 H new ATOM 0 HE1 HIS A 399 12.900 -13.631 6.965 1.00 22.41 H new ATOM 0 HE2 HIS A 399 14.314 -12.666 5.095 1.00 24.40 H new ATOM 923 N ASN A 400 7.991 -13.743 1.221 1.00 11.45 N ATOM 924 CA ASN A 400 6.968 -14.407 0.405 1.00 2.25 C ATOM 925 C ASN A 400 7.049 -14.004 -1.053 1.00 21.13 C ATOM 926 O ASN A 400 6.899 -14.847 -1.945 1.00 41.44 O ATOM 927 CB ASN A 400 5.584 -14.174 0.997 1.00 42.03 C ATOM 928 CG ASN A 400 5.422 -14.925 2.301 1.00 10.53 C ATOM 929 OD1 ASN A 400 5.947 -16.029 2.464 1.00 42.10 O ATOM 930 ND2 ASN A 400 4.776 -14.325 3.252 1.00 55.54 N ATOM 0 H ASN A 400 7.617 -13.212 2.008 1.00 11.45 H new ATOM 0 HA ASN A 400 7.162 -15.479 0.427 1.00 2.25 H new ATOM 0 HB2 ASN A 400 5.430 -13.108 1.165 1.00 42.03 H new ATOM 0 HB3 ASN A 400 4.822 -14.498 0.289 1.00 42.03 H new ATOM 0 HD21 ASN A 400 4.691 -14.766 4.168 1.00 55.54 H new ATOM 0 HD22 ASN A 400 4.353 -13.412 3.084 1.00 55.54 H new ATOM 937 N LEU A 401 7.313 -12.730 -1.297 1.00 21.14 N ATOM 938 CA LEU A 401 7.529 -12.237 -2.651 1.00 72.41 C ATOM 939 C LEU A 401 8.787 -12.854 -3.255 1.00 4.34 C ATOM 940 O LEU A 401 8.778 -13.326 -4.374 1.00 62.43 O ATOM 941 CB LEU A 401 7.671 -10.712 -2.648 1.00 33.30 C ATOM 942 CG LEU A 401 6.438 -9.911 -2.254 1.00 5.42 C ATOM 943 CD1 LEU A 401 6.790 -8.445 -2.139 1.00 70.22 C ATOM 944 CD2 LEU A 401 5.350 -10.090 -3.295 1.00 5.22 C ATOM 0 H LEU A 401 7.383 -12.015 -0.573 1.00 21.14 H new ATOM 0 HA LEU A 401 6.665 -12.521 -3.252 1.00 72.41 H new ATOM 0 HB2 LEU A 401 8.480 -10.447 -1.968 1.00 33.30 H new ATOM 0 HB3 LEU A 401 7.977 -10.397 -3.646 1.00 33.30 H new ATOM 0 HG LEU A 401 6.077 -10.272 -1.291 1.00 5.42 H new ATOM 0 HD11 LEU A 401 5.902 -7.879 -1.857 1.00 70.22 H new ATOM 0 HD12 LEU A 401 7.561 -8.314 -1.379 1.00 70.22 H new ATOM 0 HD13 LEU A 401 7.161 -8.084 -3.098 1.00 70.22 H new ATOM 0 HD21 LEU A 401 4.471 -9.514 -3.006 1.00 5.22 H new ATOM 0 HD22 LEU A 401 5.711 -9.740 -4.262 1.00 5.22 H new ATOM 0 HD23 LEU A 401 5.085 -11.145 -3.366 1.00 5.22 H new ATOM 1257 N TRP A 421 7.305 -4.290 -8.781 1.00 5.50 N ATOM 1258 CA TRP A 421 6.828 -5.580 -9.097 1.00 44.24 C ATOM 1259 C TRP A 421 5.313 -5.503 -9.333 1.00 31.34 C ATOM 1260 O TRP A 421 4.625 -4.689 -8.709 1.00 20.22 O ATOM 1261 CB TRP A 421 7.220 -6.598 -7.979 1.00 12.44 C ATOM 1262 CG TRP A 421 6.427 -6.533 -6.730 1.00 61.54 C ATOM 1263 CD1 TRP A 421 6.712 -5.845 -5.591 1.00 1.11 C ATOM 1264 CD2 TRP A 421 5.212 -7.225 -6.491 1.00 21.44 C ATOM 1265 NE1 TRP A 421 5.743 -6.081 -4.666 1.00 13.22 N ATOM 1266 CE2 TRP A 421 4.804 -6.923 -5.208 1.00 63.25 C ATOM 1267 CE3 TRP A 421 4.430 -8.074 -7.264 1.00 34.21 C ATOM 1268 CZ2 TRP A 421 3.642 -7.443 -4.666 1.00 2.14 C ATOM 1269 CZ3 TRP A 421 3.281 -8.586 -6.734 1.00 55.33 C ATOM 1270 CH2 TRP A 421 2.894 -8.272 -5.446 1.00 51.33 C ATOM 0 HA TRP A 421 7.292 -5.944 -10.014 1.00 44.24 H new ATOM 0 HB2 TRP A 421 7.135 -7.605 -8.387 1.00 12.44 H new ATOM 0 HB3 TRP A 421 8.269 -6.444 -7.727 1.00 12.44 H new ATOM 0 HD1 TRP A 421 7.573 -5.210 -5.444 1.00 1.11 H new ATOM 0 HE1 TRP A 421 5.718 -5.695 -3.722 1.00 13.22 H new ATOM 0 HE3 TRP A 421 4.727 -8.326 -8.271 1.00 34.21 H new ATOM 0 HZ2 TRP A 421 3.338 -7.200 -3.659 1.00 2.14 H new ATOM 0 HZ3 TRP A 421 2.667 -9.245 -7.330 1.00 55.33 H new ATOM 0 HH2 TRP A 421 1.981 -8.692 -5.050 1.00 51.33 H new ATOM 1281 N VAL A 422 4.817 -6.300 -10.252 1.00 33.01 N ATOM 1282 CA VAL A 422 3.394 -6.343 -10.571 1.00 41.10 C ATOM 1283 C VAL A 422 2.932 -7.782 -10.662 1.00 54.23 C ATOM 1284 O VAL A 422 3.752 -8.696 -10.827 1.00 33.20 O ATOM 1285 CB VAL A 422 3.029 -5.581 -11.893 1.00 53.33 C ATOM 1286 CG1 VAL A 422 3.351 -4.107 -11.779 1.00 21.22 C ATOM 1287 CG2 VAL A 422 3.728 -6.179 -13.103 1.00 71.22 C ATOM 0 H VAL A 422 5.385 -6.942 -10.805 1.00 33.01 H new ATOM 0 HA VAL A 422 2.876 -5.828 -9.762 1.00 41.10 H new ATOM 0 HB VAL A 422 1.955 -5.694 -12.038 1.00 53.33 H new ATOM 0 HG11 VAL A 422 3.088 -3.604 -12.710 1.00 21.22 H new ATOM 0 HG12 VAL A 422 2.781 -3.672 -10.958 1.00 21.22 H new ATOM 0 HG13 VAL A 422 4.417 -3.981 -11.587 1.00 21.22 H new ATOM 0 HG21 VAL A 422 3.448 -5.622 -13.997 1.00 71.22 H new ATOM 0 HG22 VAL A 422 4.808 -6.123 -12.964 1.00 71.22 H new ATOM 0 HG23 VAL A 422 3.430 -7.221 -13.217 1.00 71.22 H new ATOM 1297 N ILE A 423 1.649 -8.008 -10.552 1.00 70.11 N ATOM 1298 CA ILE A 423 1.150 -9.353 -10.590 1.00 54.41 C ATOM 1299 C ILE A 423 0.996 -9.828 -12.024 1.00 72.54 C ATOM 1300 O ILE A 423 0.278 -9.231 -12.835 1.00 71.51 O ATOM 1301 CB ILE A 423 -0.170 -9.534 -9.774 1.00 44.32 C ATOM 1302 CG1 ILE A 423 0.114 -9.249 -8.288 1.00 53.30 C ATOM 1303 CG2 ILE A 423 -0.738 -10.947 -9.956 1.00 25.42 C ATOM 1304 CD1 ILE A 423 -1.082 -9.396 -7.367 1.00 41.13 C ATOM 0 H ILE A 423 0.939 -7.285 -10.437 1.00 70.11 H new ATOM 0 HA ILE A 423 1.892 -9.983 -10.100 1.00 54.41 H new ATOM 0 HB ILE A 423 -0.917 -8.831 -10.142 1.00 44.32 H new ATOM 0 HG12 ILE A 423 0.900 -9.923 -7.948 1.00 53.30 H new ATOM 0 HG13 ILE A 423 0.502 -8.235 -8.196 1.00 53.30 H new ATOM 0 HG21 ILE A 423 -1.657 -11.047 -9.378 1.00 25.42 H new ATOM 0 HG22 ILE A 423 -0.952 -11.120 -11.011 1.00 25.42 H new ATOM 0 HG23 ILE A 423 -0.009 -11.680 -9.609 1.00 25.42 H new ATOM 0 HD11 ILE A 423 -0.782 -9.175 -6.343 1.00 41.13 H new ATOM 0 HD12 ILE A 423 -1.865 -8.702 -7.674 1.00 41.13 H new ATOM 0 HD13 ILE A 423 -1.460 -10.417 -7.422 1.00 41.13 H new