USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 5 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 1.1 K(o=1.1,f=-5.6!) USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0.66 USER MOD Set 2.2: A 57 THR OG1 : rot -62:sc= 0.715 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.415 K(o=-0.094,f=-1.2) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.321 K(o=-0.094,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.27 (180deg=0.798) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 1.08 K(o=1.1,f=-1.7) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.05! X(o=-2.1!,f=-2) USER MOD Single : A 16 SER OG : rot 180:sc= -1.25! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 21 ASN : amide:sc= 0.197 K(o=0.2,f=-1.2) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0.148 K(o=0.15,f=-0.75) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.598 K(o=0.6,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0.247 USER MOD Single : A 51 GLN : amide:sc= -1.49 K(o=-1.5,f=-2!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -1.05 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0726 X(o=-0.073,f=-0.078) USER MOD Single : A 66 HIS : no HD1:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.53) USER MOD Single : A 70 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.984 17.445 -3.920 1.00 35.24 N ATOM 2 CA MET A 1 -9.266 18.244 -5.132 1.00 55.21 C ATOM 3 C MET A 1 -9.598 17.322 -6.293 1.00 41.31 C ATOM 4 O MET A 1 -8.736 16.572 -6.749 1.00 0.21 O ATOM 5 CB MET A 1 -8.066 19.130 -5.491 1.00 55.15 C ATOM 6 CG MET A 1 -7.829 20.282 -4.522 1.00 33.34 C ATOM 7 SD MET A 1 -7.430 19.736 -2.848 1.00 20.13 S ATOM 8 CE MET A 1 -7.238 21.311 -2.020 1.00 34.21 C ATOM 0 H1 MET A 1 -8.579 18.060 -3.185 1.00 35.24 H new ATOM 0 H2 MET A 1 -9.867 17.022 -3.570 1.00 35.24 H new ATOM 0 H3 MET A 1 -8.307 16.690 -4.151 1.00 35.24 H new ATOM 0 HA MET A 1 -10.121 18.889 -4.930 1.00 55.21 H new ATOM 0 HB2 MET A 1 -7.170 18.511 -5.528 1.00 55.15 H new ATOM 0 HB3 MET A 1 -8.215 19.536 -6.492 1.00 55.15 H new ATOM 0 HG2 MET A 1 -7.015 20.902 -4.898 1.00 33.34 H new ATOM 0 HG3 MET A 1 -8.720 20.909 -4.490 1.00 33.34 H new ATOM 0 HE1 MET A 1 -6.989 21.143 -0.972 1.00 34.21 H new ATOM 0 HE2 MET A 1 -6.438 21.878 -2.497 1.00 34.21 H new ATOM 0 HE3 MET A 1 -8.170 21.873 -2.086 1.00 34.21 H new ATOM 20 N ILE A 2 -10.860 17.382 -6.738 1.00 34.24 N ATOM 21 CA ILE A 2 -11.407 16.532 -7.811 1.00 34.03 C ATOM 22 C ILE A 2 -11.069 15.046 -7.618 1.00 13.45 C ATOM 23 O ILE A 2 -10.624 14.630 -6.545 1.00 32.42 O ATOM 24 CB ILE A 2 -10.987 17.002 -9.235 1.00 41.32 C ATOM 25 CG1 ILE A 2 -9.488 16.802 -9.496 1.00 62.25 C ATOM 26 CG2 ILE A 2 -11.370 18.463 -9.434 1.00 53.45 C ATOM 27 CD1 ILE A 2 -9.055 17.184 -10.896 1.00 42.12 C ATOM 0 H ILE A 2 -11.545 18.035 -6.357 1.00 34.24 H new ATOM 0 HA ILE A 2 -12.489 16.644 -7.734 1.00 34.03 H new ATOM 0 HB ILE A 2 -11.522 16.383 -9.956 1.00 41.32 H new ATOM 0 HG12 ILE A 2 -8.921 17.393 -8.777 1.00 62.25 H new ATOM 0 HG13 ILE A 2 -9.234 15.757 -9.320 1.00 62.25 H new ATOM 0 HG21 ILE A 2 -11.073 18.784 -10.432 1.00 53.45 H new ATOM 0 HG22 ILE A 2 -12.449 18.575 -9.323 1.00 53.45 H new ATOM 0 HG23 ILE A 2 -10.863 19.077 -8.689 1.00 53.45 H new ATOM 0 HD11 ILE A 2 -7.984 17.015 -11.004 1.00 42.12 H new ATOM 0 HD12 ILE A 2 -9.594 16.575 -11.622 1.00 42.12 H new ATOM 0 HD13 ILE A 2 -9.276 18.237 -11.071 1.00 42.12 H new ATOM 39 N GLY A 3 -11.339 14.242 -8.637 1.00 61.20 N ATOM 40 CA GLY A 3 -11.030 12.828 -8.561 1.00 11.11 C ATOM 41 C GLY A 3 -12.096 11.967 -9.206 1.00 3.21 C ATOM 42 O GLY A 3 -13.030 11.523 -8.534 1.00 0.24 O ATOM 0 H GLY A 3 -11.766 14.543 -9.513 1.00 61.20 H new ATOM 0 HA2 GLY A 3 -10.073 12.642 -9.048 1.00 11.11 H new ATOM 0 HA3 GLY A 3 -10.917 12.539 -7.516 1.00 11.11 H new ATOM 46 N ASP A 4 -11.964 11.747 -10.511 1.00 1.05 N ATOM 47 CA ASP A 4 -12.883 10.881 -11.250 1.00 31.54 C ATOM 48 C ASP A 4 -12.303 10.519 -12.617 1.00 33.14 C ATOM 49 O ASP A 4 -12.476 9.401 -13.102 1.00 52.12 O ATOM 50 CB ASP A 4 -14.255 11.550 -11.413 1.00 52.31 C ATOM 51 CG ASP A 4 -15.255 10.681 -12.157 1.00 41.15 C ATOM 52 OD1 ASP A 4 -15.342 9.470 -11.864 1.00 42.33 O ATOM 53 OD2 ASP A 4 -15.976 11.212 -13.033 1.00 42.12 O ATOM 0 H ASP A 4 -11.226 12.158 -11.083 1.00 1.05 H new ATOM 0 HA ASP A 4 -13.015 9.964 -10.676 1.00 31.54 H new ATOM 0 HB2 ASP A 4 -14.654 11.792 -10.428 1.00 52.31 H new ATOM 0 HB3 ASP A 4 -14.132 12.492 -11.947 1.00 52.31 H new ATOM 58 N TYR A 5 -11.601 11.462 -13.230 1.00 32.21 N ATOM 59 CA TYR A 5 -10.992 11.234 -14.536 1.00 10.31 C ATOM 60 C TYR A 5 -9.472 11.278 -14.462 1.00 22.30 C ATOM 61 O TYR A 5 -8.896 12.194 -13.870 1.00 20.33 O ATOM 62 CB TYR A 5 -11.481 12.267 -15.554 1.00 50.32 C ATOM 63 CG TYR A 5 -12.828 11.947 -16.165 1.00 31.11 C ATOM 64 CD1 TYR A 5 -12.926 11.094 -17.259 1.00 21.21 C ATOM 65 CD2 TYR A 5 -13.997 12.496 -15.655 1.00 12.14 C ATOM 66 CE1 TYR A 5 -14.150 10.801 -17.827 1.00 5.32 C ATOM 67 CE2 TYR A 5 -15.228 12.205 -16.220 1.00 44.20 C ATOM 68 CZ TYR A 5 -15.296 11.356 -17.304 1.00 71.41 C ATOM 69 OH TYR A 5 -16.518 11.057 -17.867 1.00 64.41 O ATOM 0 H TYR A 5 -11.438 12.393 -12.845 1.00 32.21 H new ATOM 0 HA TYR A 5 -11.295 10.238 -14.859 1.00 10.31 H new ATOM 0 HB2 TYR A 5 -11.537 13.241 -15.068 1.00 50.32 H new ATOM 0 HB3 TYR A 5 -10.743 12.351 -16.352 1.00 50.32 H new ATOM 0 HD1 TYR A 5 -12.030 10.654 -17.671 1.00 21.21 H new ATOM 0 HD2 TYR A 5 -13.946 13.160 -14.805 1.00 12.14 H new ATOM 0 HE1 TYR A 5 -14.208 10.139 -18.678 1.00 5.32 H new ATOM 0 HE2 TYR A 5 -16.129 12.641 -15.814 1.00 44.20 H new ATOM 0 HH TYR A 5 -17.226 11.528 -17.381 1.00 64.41 H new ATOM 79 N TYR A 6 -8.841 10.263 -15.053 1.00 31.40 N ATOM 80 CA TYR A 6 -7.386 10.211 -15.238 1.00 2.41 C ATOM 81 C TYR A 6 -6.624 10.200 -13.913 1.00 74.21 C ATOM 82 O TYR A 6 -5.426 10.489 -13.871 1.00 72.41 O ATOM 83 CB TYR A 6 -6.920 11.376 -16.116 1.00 62.22 C ATOM 84 CG TYR A 6 -7.607 11.409 -17.463 1.00 63.31 C ATOM 85 CD1 TYR A 6 -7.404 10.396 -18.389 1.00 31.24 C ATOM 86 CD2 TYR A 6 -8.477 12.438 -17.796 1.00 4.25 C ATOM 87 CE1 TYR A 6 -8.046 10.408 -19.610 1.00 61.23 C ATOM 88 CE2 TYR A 6 -9.127 12.455 -19.013 1.00 54.45 C ATOM 89 CZ TYR A 6 -8.907 11.440 -19.918 1.00 11.23 C ATOM 90 OH TYR A 6 -9.558 11.448 -21.132 1.00 55.03 O ATOM 0 H TYR A 6 -9.327 9.445 -15.421 1.00 31.40 H new ATOM 0 HA TYR A 6 -7.161 9.269 -15.739 1.00 2.41 H new ATOM 0 HB2 TYR A 6 -7.108 12.315 -15.595 1.00 62.22 H new ATOM 0 HB3 TYR A 6 -5.843 11.304 -16.265 1.00 62.22 H new ATOM 0 HD1 TYR A 6 -6.732 9.585 -18.150 1.00 31.24 H new ATOM 0 HD2 TYR A 6 -8.648 13.238 -17.091 1.00 4.25 H new ATOM 0 HE1 TYR A 6 -7.875 9.613 -20.321 1.00 61.23 H new ATOM 0 HE2 TYR A 6 -9.805 13.260 -19.255 1.00 54.45 H new ATOM 0 HH TYR A 6 -10.128 12.243 -21.192 1.00 55.03 H new ATOM 100 N ILE A 7 -7.312 9.846 -12.842 1.00 2.45 N ATOM 101 CA ILE A 7 -6.690 9.721 -11.536 1.00 12.14 C ATOM 102 C ILE A 7 -7.368 8.592 -10.769 1.00 10.31 C ATOM 103 O ILE A 7 -8.562 8.343 -10.969 1.00 44.32 O ATOM 104 CB ILE A 7 -6.763 11.047 -10.737 1.00 51.13 C ATOM 105 CG1 ILE A 7 -5.978 10.936 -9.424 1.00 51.31 C ATOM 106 CG2 ILE A 7 -8.212 11.432 -10.469 1.00 4.51 C ATOM 107 CD1 ILE A 7 -5.910 12.232 -8.646 1.00 73.51 C ATOM 0 H ILE A 7 -8.311 9.638 -12.852 1.00 2.45 H new ATOM 0 HA ILE A 7 -5.634 9.490 -11.673 1.00 12.14 H new ATOM 0 HB ILE A 7 -6.306 11.833 -11.338 1.00 51.13 H new ATOM 0 HG12 ILE A 7 -6.438 10.171 -8.799 1.00 51.31 H new ATOM 0 HG13 ILE A 7 -4.964 10.601 -9.644 1.00 51.31 H new ATOM 0 HG21 ILE A 7 -8.242 12.365 -9.907 1.00 4.51 H new ATOM 0 HG22 ILE A 7 -8.735 11.562 -11.416 1.00 4.51 H new ATOM 0 HG23 ILE A 7 -8.697 10.645 -9.891 1.00 4.51 H new ATOM 0 HD11 ILE A 7 -5.340 12.077 -7.730 1.00 73.51 H new ATOM 0 HD12 ILE A 7 -5.422 12.995 -9.252 1.00 73.51 H new ATOM 0 HD13 ILE A 7 -6.919 12.559 -8.394 1.00 73.51 H new ATOM 119 N ASN A 8 -6.595 7.894 -9.931 1.00 74.42 N ATOM 120 CA ASN A 8 -7.073 6.728 -9.178 1.00 42.13 C ATOM 121 C ASN A 8 -7.248 5.531 -10.105 1.00 3.34 C ATOM 122 O ASN A 8 -6.608 4.496 -9.914 1.00 41.43 O ATOM 123 CB ASN A 8 -8.385 7.018 -8.432 1.00 15.54 C ATOM 124 CG ASN A 8 -8.222 8.049 -7.331 1.00 23.31 C ATOM 125 OD1 ASN A 8 -8.373 9.249 -7.555 1.00 22.43 O ATOM 126 ND2 ASN A 8 -7.914 7.584 -6.131 1.00 72.53 N ATOM 0 H ASN A 8 -5.617 8.122 -9.755 1.00 74.42 H new ATOM 0 HA ASN A 8 -6.316 6.495 -8.429 1.00 42.13 H new ATOM 0 HB2 ASN A 8 -9.132 7.369 -9.144 1.00 15.54 H new ATOM 0 HB3 ASN A 8 -8.765 6.091 -8.002 1.00 15.54 H new ATOM 0 HD21 ASN A 8 -7.793 8.229 -5.350 1.00 72.53 H new ATOM 0 HD22 ASN A 8 -7.798 6.581 -5.987 1.00 72.53 H new ATOM 133 N ALA A 9 -8.106 5.695 -11.113 1.00 24.22 N ATOM 134 CA ALA A 9 -8.342 4.670 -12.123 1.00 43.31 C ATOM 135 C ALA A 9 -8.876 3.384 -11.495 1.00 43.03 C ATOM 136 O ALA A 9 -9.465 3.404 -10.412 1.00 22.22 O ATOM 137 CB ALA A 9 -7.061 4.401 -12.907 1.00 11.15 C ATOM 0 H ALA A 9 -8.656 6.543 -11.250 1.00 24.22 H new ATOM 0 HA ALA A 9 -9.103 5.038 -12.811 1.00 43.31 H new ATOM 0 HB1 ALA A 9 -7.249 3.634 -13.658 1.00 11.15 H new ATOM 0 HB2 ALA A 9 -6.736 5.318 -13.398 1.00 11.15 H new ATOM 0 HB3 ALA A 9 -6.282 4.058 -12.225 1.00 11.15 H new ATOM 143 N SER A 10 -8.718 2.280 -12.204 1.00 31.24 N ATOM 144 CA SER A 10 -9.089 0.974 -11.685 1.00 34.11 C ATOM 145 C SER A 10 -7.954 -0.019 -11.920 1.00 63.22 C ATOM 146 O SER A 10 -8.169 -1.232 -12.024 1.00 63.20 O ATOM 147 CB SER A 10 -10.384 0.502 -12.345 1.00 4.41 C ATOM 148 OG SER A 10 -11.419 1.450 -12.132 1.00 11.44 O ATOM 0 H SER A 10 -8.332 2.262 -13.148 1.00 31.24 H new ATOM 0 HA SER A 10 -9.262 1.043 -10.611 1.00 34.11 H new ATOM 0 HB2 SER A 10 -10.225 0.361 -13.414 1.00 4.41 H new ATOM 0 HB3 SER A 10 -10.677 -0.465 -11.936 1.00 4.41 H new ATOM 0 HG SER A 10 -12.243 1.137 -12.561 1.00 11.44 H new ATOM 154 N ALA A 11 -6.742 0.513 -11.979 1.00 63.42 N ATOM 155 CA ALA A 11 -5.543 -0.289 -12.156 1.00 65.00 C ATOM 156 C ALA A 11 -4.437 0.260 -11.267 1.00 44.54 C ATOM 157 O ALA A 11 -4.362 1.470 -11.055 1.00 50.11 O ATOM 158 CB ALA A 11 -5.111 -0.297 -13.617 1.00 63.14 C ATOM 0 H ALA A 11 -6.563 1.515 -11.905 1.00 63.42 H new ATOM 0 HA ALA A 11 -5.754 -1.319 -11.869 1.00 65.00 H new ATOM 0 HB1 ALA A 11 -4.212 -0.903 -13.727 1.00 63.14 H new ATOM 0 HB2 ALA A 11 -5.909 -0.717 -14.230 1.00 63.14 H new ATOM 0 HB3 ALA A 11 -4.903 0.723 -13.941 1.00 63.14 H new ATOM 164 N LEU A 12 -3.593 -0.635 -10.741 1.00 12.31 N ATOM 165 CA LEU A 12 -2.530 -0.255 -9.802 1.00 3.04 C ATOM 166 C LEU A 12 -3.138 0.225 -8.490 1.00 52.31 C ATOM 167 O LEU A 12 -2.535 1.013 -7.764 1.00 34.14 O ATOM 168 CB LEU A 12 -1.613 0.834 -10.393 1.00 32.44 C ATOM 169 CG LEU A 12 -0.530 0.353 -11.367 1.00 21.43 C ATOM 170 CD1 LEU A 12 0.387 -0.651 -10.691 1.00 73.22 C ATOM 171 CD2 LEU A 12 -1.143 -0.246 -12.624 1.00 55.42 C ATOM 0 H LEU A 12 -3.626 -1.633 -10.951 1.00 12.31 H new ATOM 0 HA LEU A 12 -1.919 -1.138 -9.615 1.00 3.04 H new ATOM 0 HB2 LEU A 12 -2.237 1.565 -10.908 1.00 32.44 H new ATOM 0 HB3 LEU A 12 -1.126 1.355 -9.569 1.00 32.44 H new ATOM 0 HG LEU A 12 0.061 1.220 -11.664 1.00 21.43 H new ATOM 0 HD11 LEU A 12 1.149 -0.981 -11.397 1.00 73.22 H new ATOM 0 HD12 LEU A 12 0.867 -0.184 -9.831 1.00 73.22 H new ATOM 0 HD13 LEU A 12 -0.196 -1.510 -10.359 1.00 73.22 H new ATOM 0 HD21 LEU A 12 -0.349 -0.577 -13.294 1.00 55.42 H new ATOM 0 HD22 LEU A 12 -1.768 -1.097 -12.354 1.00 55.42 H new ATOM 0 HD23 LEU A 12 -1.751 0.506 -13.126 1.00 55.42 H new ATOM 183 N ASN A 13 -4.320 -0.304 -8.180 1.00 61.21 N ATOM 184 CA ASN A 13 -5.091 0.126 -7.017 1.00 11.33 C ATOM 185 C ASN A 13 -4.356 -0.162 -5.716 1.00 12.24 C ATOM 186 O ASN A 13 -4.241 0.707 -4.856 1.00 3.11 O ATOM 187 CB ASN A 13 -6.450 -0.574 -7.000 1.00 14.15 C ATOM 188 CG ASN A 13 -7.318 -0.206 -8.189 1.00 0.44 C ATOM 189 OD1 ASN A 13 -7.251 0.905 -8.705 1.00 1.24 O ATOM 190 ND2 ASN A 13 -8.145 -1.144 -8.630 1.00 71.34 N ATOM 0 H ASN A 13 -4.768 -1.040 -8.726 1.00 61.21 H new ATOM 0 HA ASN A 13 -5.231 1.204 -7.097 1.00 11.33 H new ATOM 0 HB2 ASN A 13 -6.297 -1.653 -6.988 1.00 14.15 H new ATOM 0 HB3 ASN A 13 -6.974 -0.316 -6.080 1.00 14.15 H new ATOM 0 HD21 ASN A 13 -8.755 -0.954 -9.425 1.00 71.34 H new ATOM 0 HD22 ASN A 13 -8.171 -2.056 -8.174 1.00 71.34 H new ATOM 197 N VAL A 14 -3.882 -1.394 -5.557 1.00 22.01 N ATOM 198 CA VAL A 14 -3.169 -1.777 -4.351 1.00 14.45 C ATOM 199 C VAL A 14 -1.826 -2.392 -4.728 1.00 15.23 C ATOM 200 O VAL A 14 -1.086 -2.875 -3.878 1.00 72.24 O ATOM 201 CB VAL A 14 -3.984 -2.793 -3.512 1.00 60.21 C ATOM 202 CG1 VAL A 14 -3.439 -2.894 -2.097 1.00 4.01 C ATOM 203 CG2 VAL A 14 -5.459 -2.423 -3.484 1.00 21.20 C ATOM 0 H VAL A 14 -3.980 -2.139 -6.247 1.00 22.01 H new ATOM 0 HA VAL A 14 -3.016 -0.882 -3.748 1.00 14.45 H new ATOM 0 HB VAL A 14 -3.884 -3.768 -3.990 1.00 60.21 H new ATOM 0 HG11 VAL A 14 -4.029 -3.614 -1.530 1.00 4.01 H new ATOM 0 HG12 VAL A 14 -2.400 -3.222 -2.130 1.00 4.01 H new ATOM 0 HG13 VAL A 14 -3.496 -1.918 -1.615 1.00 4.01 H new ATOM 0 HG21 VAL A 14 -6.006 -3.154 -2.888 1.00 21.20 H new ATOM 0 HG22 VAL A 14 -5.578 -1.433 -3.043 1.00 21.20 H new ATOM 0 HG23 VAL A 14 -5.852 -2.417 -4.501 1.00 21.20 H new ATOM 213 N ARG A 15 -1.510 -2.345 -6.019 1.00 33.14 N ATOM 214 CA ARG A 15 -0.330 -3.026 -6.544 1.00 41.13 C ATOM 215 C ARG A 15 0.944 -2.352 -6.063 1.00 24.32 C ATOM 216 O ARG A 15 0.894 -1.319 -5.399 1.00 40.01 O ATOM 217 CB ARG A 15 -0.332 -3.049 -8.075 1.00 54.25 C ATOM 218 CG ARG A 15 -1.611 -3.580 -8.695 1.00 65.13 C ATOM 219 CD ARG A 15 -1.346 -4.216 -10.050 1.00 5.41 C ATOM 220 NE ARG A 15 -0.632 -5.487 -9.916 1.00 64.02 N ATOM 221 CZ ARG A 15 -0.102 -6.165 -10.930 1.00 15.21 C ATOM 222 NH1 ARG A 15 -0.123 -5.669 -12.157 1.00 63.10 N ATOM 223 NH2 ARG A 15 0.467 -7.343 -10.712 1.00 3.12 N ATOM 0 H ARG A 15 -2.054 -1.843 -6.721 1.00 33.14 H new ATOM 0 HA ARG A 15 -0.363 -4.051 -6.173 1.00 41.13 H new ATOM 0 HB2 ARG A 15 -0.159 -2.037 -8.441 1.00 54.25 H new ATOM 0 HB3 ARG A 15 0.504 -3.659 -8.418 1.00 54.25 H new ATOM 0 HG2 ARG A 15 -2.063 -4.314 -8.028 1.00 65.13 H new ATOM 0 HG3 ARG A 15 -2.328 -2.767 -8.807 1.00 65.13 H new ATOM 0 HD2 ARG A 15 -2.291 -4.381 -10.567 1.00 5.41 H new ATOM 0 HD3 ARG A 15 -0.762 -3.532 -10.666 1.00 5.41 H new ATOM 0 HE ARG A 15 -0.534 -5.880 -8.980 1.00 64.02 H new ATOM 0 HH11 ARG A 15 -0.548 -4.759 -12.332 1.00 63.10 H new ATOM 0 HH12 ARG A 15 0.286 -6.197 -12.928 1.00 63.10 H new ATOM 0 HH21 ARG A 15 0.498 -7.728 -9.768 1.00 3.12 H new ATOM 0 HH22 ARG A 15 0.874 -7.864 -11.489 1.00 3.12 H new ATOM 237 N SER A 16 2.081 -2.936 -6.434 1.00 61.45 N ATOM 238 CA SER A 16 3.388 -2.397 -6.079 1.00 23.52 C ATOM 239 C SER A 16 3.657 -2.552 -4.587 1.00 52.21 C ATOM 240 O SER A 16 4.162 -1.640 -3.948 1.00 53.44 O ATOM 241 CB SER A 16 3.475 -0.923 -6.476 1.00 62.00 C ATOM 242 OG SER A 16 2.928 -0.716 -7.769 1.00 32.35 O ATOM 0 H SER A 16 2.121 -3.792 -6.987 1.00 61.45 H new ATOM 0 HA SER A 16 4.146 -2.960 -6.623 1.00 23.52 H new ATOM 0 HB2 SER A 16 2.940 -0.313 -5.748 1.00 62.00 H new ATOM 0 HB3 SER A 16 4.515 -0.598 -6.460 1.00 62.00 H new ATOM 0 HG SER A 16 2.992 0.233 -8.003 1.00 32.35 H new ATOM 248 N GLY A 17 3.350 -3.731 -4.054 1.00 71.40 N ATOM 249 CA GLY A 17 3.486 -3.980 -2.626 1.00 43.13 C ATOM 250 C GLY A 17 4.881 -3.729 -2.079 1.00 15.03 C ATOM 251 O GLY A 17 5.033 -3.264 -0.951 1.00 43.34 O ATOM 0 H GLY A 17 3.006 -4.527 -4.591 1.00 71.40 H new ATOM 0 HA2 GLY A 17 2.779 -3.348 -2.090 1.00 43.13 H new ATOM 0 HA3 GLY A 17 3.208 -5.014 -2.421 1.00 43.13 H new ATOM 255 N GLU A 18 5.905 -4.035 -2.865 1.00 64.23 N ATOM 256 CA GLU A 18 7.277 -3.818 -2.423 1.00 71.24 C ATOM 257 C GLU A 18 7.752 -2.426 -2.819 1.00 43.23 C ATOM 258 O GLU A 18 8.937 -2.106 -2.696 1.00 21.34 O ATOM 259 CB GLU A 18 8.222 -4.879 -2.998 1.00 4.32 C ATOM 260 CG GLU A 18 7.912 -6.292 -2.528 1.00 64.51 C ATOM 261 CD GLU A 18 8.993 -7.286 -2.904 1.00 35.24 C ATOM 262 OE1 GLU A 18 9.007 -7.752 -4.058 1.00 5.11 O ATOM 263 OE2 GLU A 18 9.829 -7.615 -2.039 1.00 14.32 O ATOM 0 H GLU A 18 5.814 -4.430 -3.801 1.00 64.23 H new ATOM 0 HA GLU A 18 7.292 -3.902 -1.336 1.00 71.24 H new ATOM 0 HB2 GLU A 18 8.170 -4.848 -4.086 1.00 4.32 H new ATOM 0 HB3 GLU A 18 9.246 -4.630 -2.721 1.00 4.32 H new ATOM 0 HG2 GLU A 18 7.787 -6.291 -1.445 1.00 64.51 H new ATOM 0 HG3 GLU A 18 6.964 -6.613 -2.958 1.00 64.51 H new ATOM 270 N GLY A 19 6.821 -1.602 -3.287 1.00 44.20 N ATOM 271 CA GLY A 19 7.150 -0.261 -3.721 1.00 24.41 C ATOM 272 C GLY A 19 7.813 -0.246 -5.081 1.00 63.51 C ATOM 273 O GLY A 19 7.254 0.256 -6.054 1.00 2.31 O ATOM 0 H GLY A 19 5.834 -1.845 -3.373 1.00 44.20 H new ATOM 0 HA2 GLY A 19 6.242 0.341 -3.755 1.00 24.41 H new ATOM 0 HA3 GLY A 19 7.813 0.203 -2.991 1.00 24.41 H new ATOM 277 N THR A 20 9.004 -0.813 -5.149 1.00 4.15 N ATOM 278 CA THR A 20 9.761 -0.866 -6.384 1.00 52.32 C ATOM 279 C THR A 20 9.297 -2.033 -7.254 1.00 75.31 C ATOM 280 O THR A 20 9.392 -1.983 -8.481 1.00 60.04 O ATOM 281 CB THR A 20 11.258 -1.006 -6.080 1.00 1.23 C ATOM 282 OG1 THR A 20 11.451 -2.061 -5.132 1.00 3.34 O ATOM 283 CG2 THR A 20 11.825 0.292 -5.525 1.00 33.21 C ATOM 0 H THR A 20 9.471 -1.247 -4.353 1.00 4.15 H new ATOM 0 HA THR A 20 9.591 0.062 -6.929 1.00 52.32 H new ATOM 0 HB THR A 20 11.782 -1.238 -7.007 1.00 1.23 H new ATOM 0 HG1 THR A 20 12.407 -2.154 -4.937 1.00 3.34 H new ATOM 0 HG21 THR A 20 12.888 0.166 -5.318 1.00 33.21 H new ATOM 0 HG22 THR A 20 11.690 1.090 -6.255 1.00 33.21 H new ATOM 0 HG23 THR A 20 11.304 0.552 -4.603 1.00 33.21 H new ATOM 291 N ASN A 21 8.793 -3.079 -6.606 1.00 74.32 N ATOM 292 CA ASN A 21 8.254 -4.239 -7.304 1.00 23.12 C ATOM 293 C ASN A 21 6.738 -4.145 -7.341 1.00 30.23 C ATOM 294 O ASN A 21 6.077 -4.145 -6.299 1.00 55.20 O ATOM 295 CB ASN A 21 8.695 -5.542 -6.627 1.00 60.31 C ATOM 296 CG ASN A 21 8.047 -6.773 -7.243 1.00 22.03 C ATOM 297 OD1 ASN A 21 7.674 -6.780 -8.416 1.00 24.04 O ATOM 298 ND2 ASN A 21 7.914 -7.827 -6.455 1.00 14.23 N ATOM 0 H ASN A 21 8.747 -3.146 -5.589 1.00 74.32 H new ATOM 0 HA ASN A 21 8.641 -4.248 -8.323 1.00 23.12 H new ATOM 0 HB2 ASN A 21 9.779 -5.634 -6.697 1.00 60.31 H new ATOM 0 HB3 ASN A 21 8.446 -5.498 -5.567 1.00 60.31 H new ATOM 0 HD21 ASN A 21 7.491 -8.682 -6.815 1.00 14.23 H new ATOM 0 HD22 ASN A 21 8.235 -7.784 -5.488 1.00 14.23 H new ATOM 305 N TYR A 22 6.194 -4.073 -8.543 1.00 30.10 N ATOM 306 CA TYR A 22 4.784 -3.782 -8.733 1.00 23.23 C ATOM 307 C TYR A 22 3.952 -5.058 -8.851 1.00 44.40 C ATOM 308 O TYR A 22 2.837 -5.134 -8.329 1.00 43.24 O ATOM 309 CB TYR A 22 4.602 -2.937 -9.995 1.00 31.11 C ATOM 310 CG TYR A 22 5.585 -1.791 -10.115 1.00 10.14 C ATOM 311 CD1 TYR A 22 5.504 -0.692 -9.276 1.00 11.02 C ATOM 312 CD2 TYR A 22 6.591 -1.810 -11.069 1.00 63.44 C ATOM 313 CE1 TYR A 22 6.394 0.358 -9.384 1.00 43.04 C ATOM 314 CE2 TYR A 22 7.487 -0.767 -11.187 1.00 35.32 C ATOM 315 CZ TYR A 22 7.384 0.317 -10.342 1.00 24.35 C ATOM 316 OH TYR A 22 8.269 1.364 -10.460 1.00 22.44 O ATOM 0 H TYR A 22 6.713 -4.214 -9.410 1.00 30.10 H new ATOM 0 HA TYR A 22 4.435 -3.234 -7.858 1.00 23.23 H new ATOM 0 HB2 TYR A 22 4.702 -3.581 -10.869 1.00 31.11 H new ATOM 0 HB3 TYR A 22 3.589 -2.536 -10.009 1.00 31.11 H new ATOM 0 HD1 TYR A 22 4.730 -0.656 -8.523 1.00 11.02 H new ATOM 0 HD2 TYR A 22 6.675 -2.658 -11.733 1.00 63.44 H new ATOM 0 HE1 TYR A 22 6.315 1.207 -8.721 1.00 43.04 H new ATOM 0 HE2 TYR A 22 8.264 -0.800 -11.937 1.00 35.32 H new ATOM 0 HH TYR A 22 8.904 1.176 -11.183 1.00 22.44 H new ATOM 326 N ARG A 23 4.520 -6.069 -9.501 1.00 63.04 N ATOM 327 CA ARG A 23 3.768 -7.263 -9.896 1.00 53.12 C ATOM 328 C ARG A 23 3.446 -8.185 -8.719 1.00 65.13 C ATOM 329 O ARG A 23 2.709 -9.158 -8.880 1.00 60.01 O ATOM 330 CB ARG A 23 4.544 -8.054 -10.950 1.00 32.15 C ATOM 331 CG ARG A 23 4.869 -7.259 -12.205 1.00 64.15 C ATOM 332 CD ARG A 23 5.577 -8.122 -13.235 1.00 23.10 C ATOM 333 NE ARG A 23 6.796 -8.722 -12.697 1.00 51.52 N ATOM 334 CZ ARG A 23 7.463 -9.712 -13.283 1.00 31.33 C ATOM 335 NH1 ARG A 23 7.057 -10.197 -14.451 1.00 74.04 N ATOM 336 NH2 ARG A 23 8.550 -10.204 -12.703 1.00 51.52 N ATOM 0 H ARG A 23 5.504 -6.088 -9.768 1.00 63.04 H new ATOM 0 HA ARG A 23 2.822 -6.907 -10.305 1.00 53.12 H new ATOM 0 HB2 ARG A 23 5.474 -8.413 -10.509 1.00 32.15 H new ATOM 0 HB3 ARG A 23 3.964 -8.933 -11.229 1.00 32.15 H new ATOM 0 HG2 ARG A 23 3.950 -6.858 -12.633 1.00 64.15 H new ATOM 0 HG3 ARG A 23 5.498 -6.407 -11.946 1.00 64.15 H new ATOM 0 HD2 ARG A 23 4.904 -8.909 -13.574 1.00 23.10 H new ATOM 0 HD3 ARG A 23 5.824 -7.517 -14.107 1.00 23.10 H new ATOM 0 HE ARG A 23 7.158 -8.358 -11.816 1.00 51.52 H new ATOM 0 HH11 ARG A 23 6.229 -9.810 -14.904 1.00 74.04 H new ATOM 0 HH12 ARG A 23 7.573 -10.956 -14.895 1.00 74.04 H new ATOM 0 HH21 ARG A 23 8.870 -9.823 -11.813 1.00 51.52 H new ATOM 0 HH22 ARG A 23 9.066 -10.963 -13.148 1.00 51.52 H new ATOM 350 N ILE A 24 3.983 -7.881 -7.545 1.00 73.02 N ATOM 351 CA ILE A 24 3.797 -8.742 -6.378 1.00 12.51 C ATOM 352 C ILE A 24 2.355 -8.694 -5.854 1.00 12.14 C ATOM 353 O ILE A 24 1.812 -9.710 -5.424 1.00 32.44 O ATOM 354 CB ILE A 24 4.781 -8.371 -5.240 1.00 30.41 C ATOM 355 CG1 ILE A 24 4.545 -9.261 -4.015 1.00 14.03 C ATOM 356 CG2 ILE A 24 4.652 -6.899 -4.869 1.00 30.25 C ATOM 357 CD1 ILE A 24 5.533 -9.031 -2.893 1.00 42.21 C ATOM 0 H ILE A 24 4.549 -7.050 -7.373 1.00 73.02 H new ATOM 0 HA ILE A 24 4.007 -9.760 -6.707 1.00 12.51 H new ATOM 0 HB ILE A 24 5.796 -8.541 -5.598 1.00 30.41 H new ATOM 0 HG12 ILE A 24 3.537 -9.087 -3.640 1.00 14.03 H new ATOM 0 HG13 ILE A 24 4.595 -10.306 -4.322 1.00 14.03 H new ATOM 0 HG21 ILE A 24 5.353 -6.663 -4.068 1.00 30.25 H new ATOM 0 HG22 ILE A 24 4.876 -6.283 -5.740 1.00 30.25 H new ATOM 0 HG23 ILE A 24 3.635 -6.696 -4.533 1.00 30.25 H new ATOM 0 HD11 ILE A 24 5.301 -9.697 -2.062 1.00 42.21 H new ATOM 0 HD12 ILE A 24 6.543 -9.234 -3.250 1.00 42.21 H new ATOM 0 HD13 ILE A 24 5.468 -7.996 -2.557 1.00 42.21 H new ATOM 369 N ILE A 25 1.729 -7.529 -5.925 1.00 74.21 N ATOM 370 CA ILE A 25 0.406 -7.331 -5.340 1.00 24.34 C ATOM 371 C ILE A 25 -0.576 -6.825 -6.404 1.00 10.44 C ATOM 372 O ILE A 25 -0.152 -6.252 -7.404 1.00 41.13 O ATOM 373 CB ILE A 25 0.504 -6.363 -4.127 1.00 33.52 C ATOM 374 CG1 ILE A 25 1.132 -7.089 -2.932 1.00 14.05 C ATOM 375 CG2 ILE A 25 -0.837 -5.774 -3.755 1.00 20.20 C ATOM 376 CD1 ILE A 25 1.271 -6.229 -1.693 1.00 45.04 C ATOM 0 H ILE A 25 2.115 -6.703 -6.382 1.00 74.21 H new ATOM 0 HA ILE A 25 0.023 -8.283 -4.974 1.00 24.34 H new ATOM 0 HB ILE A 25 1.143 -5.529 -4.417 1.00 33.52 H new ATOM 0 HG12 ILE A 25 0.525 -7.961 -2.690 1.00 14.05 H new ATOM 0 HG13 ILE A 25 2.117 -7.456 -3.220 1.00 14.05 H new ATOM 0 HG21 ILE A 25 -0.717 -5.105 -2.903 1.00 20.20 H new ATOM 0 HG22 ILE A 25 -1.236 -5.215 -4.601 1.00 20.20 H new ATOM 0 HG23 ILE A 25 -1.526 -6.576 -3.492 1.00 20.20 H new ATOM 0 HD11 ILE A 25 1.723 -6.815 -0.893 1.00 45.04 H new ATOM 0 HD12 ILE A 25 1.903 -5.370 -1.916 1.00 45.04 H new ATOM 0 HD13 ILE A 25 0.287 -5.883 -1.378 1.00 45.04 H new ATOM 388 N GLY A 26 -1.877 -7.047 -6.196 1.00 74.31 N ATOM 389 CA GLY A 26 -2.861 -6.744 -7.213 1.00 22.20 C ATOM 390 C GLY A 26 -3.797 -5.632 -6.790 1.00 35.41 C ATOM 391 O GLY A 26 -3.358 -4.625 -6.239 1.00 54.15 O ATOM 0 H GLY A 26 -2.262 -7.434 -5.334 1.00 74.31 H new ATOM 0 HA2 GLY A 26 -2.353 -6.458 -8.134 1.00 22.20 H new ATOM 0 HA3 GLY A 26 -3.441 -7.640 -7.434 1.00 22.20 H new ATOM 395 N ALA A 27 -5.086 -5.805 -7.033 1.00 24.12 N ATOM 396 CA ALA A 27 -6.050 -4.757 -6.746 1.00 64.13 C ATOM 397 C ALA A 27 -7.413 -5.321 -6.363 1.00 10.13 C ATOM 398 O ALA A 27 -8.197 -5.703 -7.232 1.00 75.45 O ATOM 399 CB ALA A 27 -6.183 -3.837 -7.947 1.00 71.21 C ATOM 0 H ALA A 27 -5.487 -6.657 -7.426 1.00 24.12 H new ATOM 0 HA ALA A 27 -5.680 -4.193 -5.890 1.00 64.13 H new ATOM 0 HB1 ALA A 27 -6.907 -3.053 -7.726 1.00 71.21 H new ATOM 0 HB2 ALA A 27 -5.216 -3.386 -8.169 1.00 71.21 H new ATOM 0 HB3 ALA A 27 -6.522 -4.411 -8.809 1.00 71.21 H new ATOM 405 N LEU A 28 -7.686 -5.376 -5.064 1.00 62.04 N ATOM 406 CA LEU A 28 -8.994 -5.803 -4.568 1.00 51.11 C ATOM 407 C LEU A 28 -9.245 -5.258 -3.156 1.00 75.35 C ATOM 408 O LEU A 28 -9.248 -6.007 -2.179 1.00 64.32 O ATOM 409 CB LEU A 28 -9.098 -7.334 -4.580 1.00 3.35 C ATOM 410 CG LEU A 28 -10.474 -7.901 -4.210 1.00 34.23 C ATOM 411 CD1 LEU A 28 -11.534 -7.438 -5.200 1.00 13.53 C ATOM 412 CD2 LEU A 28 -10.428 -9.420 -4.149 1.00 33.44 C ATOM 0 H LEU A 28 -7.019 -5.130 -4.332 1.00 62.04 H new ATOM 0 HA LEU A 28 -9.759 -5.398 -5.230 1.00 51.11 H new ATOM 0 HB2 LEU A 28 -8.831 -7.692 -5.574 1.00 3.35 H new ATOM 0 HB3 LEU A 28 -8.359 -7.737 -3.887 1.00 3.35 H new ATOM 0 HG LEU A 28 -10.742 -7.524 -3.223 1.00 34.23 H new ATOM 0 HD11 LEU A 28 -12.502 -7.853 -4.917 1.00 13.53 H new ATOM 0 HD12 LEU A 28 -11.589 -6.349 -5.191 1.00 13.53 H new ATOM 0 HD13 LEU A 28 -11.271 -7.780 -6.201 1.00 13.53 H new ATOM 0 HD21 LEU A 28 -11.414 -9.804 -3.885 1.00 33.44 H new ATOM 0 HD22 LEU A 28 -10.134 -9.814 -5.122 1.00 33.44 H new ATOM 0 HD23 LEU A 28 -9.704 -9.732 -3.397 1.00 33.44 H new ATOM 424 N PRO A 29 -9.438 -3.935 -3.026 1.00 34.21 N ATOM 425 CA PRO A 29 -9.688 -3.291 -1.747 1.00 2.44 C ATOM 426 C PRO A 29 -11.176 -3.042 -1.498 1.00 23.04 C ATOM 427 O PRO A 29 -11.614 -1.898 -1.376 1.00 21.42 O ATOM 428 CB PRO A 29 -8.942 -1.968 -1.923 1.00 31.02 C ATOM 429 CG PRO A 29 -9.030 -1.658 -3.389 1.00 0.32 C ATOM 430 CD PRO A 29 -9.406 -2.940 -4.104 1.00 10.34 C ATOM 0 HA PRO A 29 -9.367 -3.890 -0.895 1.00 2.44 H new ATOM 0 HB2 PRO A 29 -9.396 -1.177 -1.326 1.00 31.02 H new ATOM 0 HB3 PRO A 29 -7.904 -2.055 -1.601 1.00 31.02 H new ATOM 0 HG2 PRO A 29 -9.775 -0.884 -3.573 1.00 0.32 H new ATOM 0 HG3 PRO A 29 -8.077 -1.278 -3.758 1.00 0.32 H new ATOM 0 HD2 PRO A 29 -10.373 -2.854 -4.600 1.00 10.34 H new ATOM 0 HD3 PRO A 29 -8.676 -3.201 -4.870 1.00 10.34 H new ATOM 438 N GLN A 30 -11.949 -4.117 -1.402 1.00 73.22 N ATOM 439 CA GLN A 30 -13.386 -3.998 -1.196 1.00 43.20 C ATOM 440 C GLN A 30 -13.898 -5.186 -0.386 1.00 24.21 C ATOM 441 O GLN A 30 -14.133 -5.076 0.821 1.00 51.13 O ATOM 442 CB GLN A 30 -14.105 -3.917 -2.550 1.00 33.41 C ATOM 443 CG GLN A 30 -15.365 -3.056 -2.550 1.00 13.44 C ATOM 444 CD GLN A 30 -16.424 -3.534 -1.578 1.00 20.53 C ATOM 445 OE1 GLN A 30 -17.262 -4.370 -1.917 1.00 71.31 O ATOM 446 NE2 GLN A 30 -16.412 -2.991 -0.369 1.00 32.23 N ATOM 0 H GLN A 30 -11.607 -5.076 -1.463 1.00 73.22 H new ATOM 0 HA GLN A 30 -13.593 -3.084 -0.638 1.00 43.20 H new ATOM 0 HB2 GLN A 30 -13.411 -3.522 -3.292 1.00 33.41 H new ATOM 0 HB3 GLN A 30 -14.370 -4.926 -2.867 1.00 33.41 H new ATOM 0 HG2 GLN A 30 -15.094 -2.029 -2.304 1.00 13.44 H new ATOM 0 HG3 GLN A 30 -15.786 -3.042 -3.555 1.00 13.44 H new ATOM 0 HE21 GLN A 30 -15.701 -2.301 -0.127 1.00 32.23 H new ATOM 0 HE22 GLN A 30 -17.114 -3.263 0.319 1.00 32.23 H new ATOM 455 N GLY A 31 -14.040 -6.329 -1.049 1.00 3.24 N ATOM 456 CA GLY A 31 -14.471 -7.538 -0.371 1.00 34.13 C ATOM 457 C GLY A 31 -13.300 -8.286 0.227 1.00 54.41 C ATOM 458 O GLY A 31 -13.183 -9.501 0.084 1.00 73.33 O ATOM 0 H GLY A 31 -13.864 -6.440 -2.048 1.00 3.24 H new ATOM 0 HA2 GLY A 31 -15.180 -7.282 0.416 1.00 34.13 H new ATOM 0 HA3 GLY A 31 -14.995 -8.184 -1.075 1.00 34.13 H new ATOM 462 N GLN A 32 -12.432 -7.547 0.893 1.00 11.42 N ATOM 463 CA GLN A 32 -11.221 -8.092 1.476 1.00 71.51 C ATOM 464 C GLN A 32 -10.690 -7.081 2.482 1.00 73.24 C ATOM 465 O GLN A 32 -10.949 -5.885 2.336 1.00 33.15 O ATOM 466 CB GLN A 32 -10.176 -8.347 0.379 1.00 75.23 C ATOM 467 CG GLN A 32 -9.110 -9.362 0.756 1.00 42.24 C ATOM 468 CD GLN A 32 -9.496 -10.791 0.415 1.00 53.40 C ATOM 469 OE1 GLN A 32 -8.632 -11.621 0.130 1.00 21.32 O ATOM 470 NE2 GLN A 32 -10.786 -11.091 0.426 1.00 14.15 N ATOM 0 H GLN A 32 -12.549 -6.545 1.045 1.00 11.42 H new ATOM 0 HA GLN A 32 -11.432 -9.041 1.970 1.00 71.51 H new ATOM 0 HB2 GLN A 32 -10.687 -8.691 -0.520 1.00 75.23 H new ATOM 0 HB3 GLN A 32 -9.691 -7.403 0.129 1.00 75.23 H new ATOM 0 HG2 GLN A 32 -8.181 -9.111 0.243 1.00 42.24 H new ATOM 0 HG3 GLN A 32 -8.913 -9.291 1.826 1.00 42.24 H new ATOM 0 HE21 GLN A 32 -11.474 -10.377 0.667 1.00 14.15 H new ATOM 0 HE22 GLN A 32 -11.092 -12.036 0.193 1.00 14.15 H new ATOM 479 N LYS A 33 -9.958 -7.535 3.492 1.00 44.42 N ATOM 480 CA LYS A 33 -9.424 -6.618 4.496 1.00 41.05 C ATOM 481 C LYS A 33 -8.163 -5.917 3.990 1.00 31.13 C ATOM 482 O LYS A 33 -7.415 -5.316 4.763 1.00 31.32 O ATOM 483 CB LYS A 33 -9.143 -7.339 5.823 1.00 72.43 C ATOM 484 CG LYS A 33 -8.016 -8.357 5.767 1.00 21.52 C ATOM 485 CD LYS A 33 -7.676 -8.858 7.162 1.00 45.13 C ATOM 486 CE LYS A 33 -6.543 -9.863 7.146 1.00 52.00 C ATOM 487 NZ LYS A 33 -6.205 -10.325 8.518 1.00 53.11 N ATOM 0 H LYS A 33 -9.722 -8.516 3.639 1.00 44.42 H new ATOM 0 HA LYS A 33 -10.186 -5.860 4.679 1.00 41.05 H new ATOM 0 HB2 LYS A 33 -8.904 -6.594 6.582 1.00 72.43 H new ATOM 0 HB3 LYS A 33 -10.054 -7.843 6.147 1.00 72.43 H new ATOM 0 HG2 LYS A 33 -8.308 -9.196 5.135 1.00 21.52 H new ATOM 0 HG3 LYS A 33 -7.134 -7.906 5.312 1.00 21.52 H new ATOM 0 HD2 LYS A 33 -7.401 -8.013 7.793 1.00 45.13 H new ATOM 0 HD3 LYS A 33 -8.559 -9.315 7.608 1.00 45.13 H new ATOM 0 HE2 LYS A 33 -6.823 -10.719 6.531 1.00 52.00 H new ATOM 0 HE3 LYS A 33 -5.663 -9.414 6.685 1.00 52.00 H new ATOM 0 HZ1 LYS A 33 -5.426 -11.012 8.471 1.00 53.11 H new ATOM 0 HZ2 LYS A 33 -5.915 -9.511 9.097 1.00 53.11 H new ATOM 0 HZ3 LYS A 33 -7.038 -10.776 8.948 1.00 53.11 H new ATOM 501 N VAL A 34 -7.938 -5.990 2.685 1.00 52.12 N ATOM 502 CA VAL A 34 -6.823 -5.298 2.064 1.00 15.10 C ATOM 503 C VAL A 34 -7.137 -3.813 1.935 1.00 30.04 C ATOM 504 O VAL A 34 -7.830 -3.387 1.009 1.00 4.25 O ATOM 505 CB VAL A 34 -6.496 -5.880 0.674 1.00 21.55 C ATOM 506 CG1 VAL A 34 -5.365 -5.109 0.022 1.00 12.22 C ATOM 507 CG2 VAL A 34 -6.143 -7.353 0.780 1.00 54.40 C ATOM 0 H VAL A 34 -8.516 -6.524 2.036 1.00 52.12 H new ATOM 0 HA VAL A 34 -5.951 -5.436 2.703 1.00 15.10 H new ATOM 0 HB VAL A 34 -7.383 -5.783 0.048 1.00 21.55 H new ATOM 0 HG11 VAL A 34 -5.151 -5.536 -0.958 1.00 12.22 H new ATOM 0 HG12 VAL A 34 -5.656 -4.065 -0.093 1.00 12.22 H new ATOM 0 HG13 VAL A 34 -4.475 -5.171 0.648 1.00 12.22 H new ATOM 0 HG21 VAL A 34 -5.916 -7.745 -0.211 1.00 54.40 H new ATOM 0 HG22 VAL A 34 -5.273 -7.473 1.426 1.00 54.40 H new ATOM 0 HG23 VAL A 34 -6.986 -7.900 1.202 1.00 54.40 H new ATOM 517 N GLN A 35 -6.647 -3.035 2.887 1.00 24.55 N ATOM 518 CA GLN A 35 -6.912 -1.605 2.926 1.00 15.50 C ATOM 519 C GLN A 35 -5.659 -0.837 3.314 1.00 31.34 C ATOM 520 O GLN A 35 -4.656 -1.426 3.723 1.00 55.13 O ATOM 521 CB GLN A 35 -8.032 -1.291 3.925 1.00 34.24 C ATOM 522 CG GLN A 35 -9.407 -1.784 3.500 1.00 62.13 C ATOM 523 CD GLN A 35 -9.921 -1.088 2.255 1.00 53.22 C ATOM 524 OE1 GLN A 35 -9.595 0.073 1.992 1.00 43.24 O ATOM 525 NE2 GLN A 35 -10.735 -1.789 1.486 1.00 44.11 N ATOM 0 H GLN A 35 -6.059 -3.373 3.649 1.00 24.55 H new ATOM 0 HA GLN A 35 -7.225 -1.296 1.929 1.00 15.50 H new ATOM 0 HB2 GLN A 35 -7.780 -1.737 4.887 1.00 34.24 H new ATOM 0 HB3 GLN A 35 -8.076 -0.212 4.076 1.00 34.24 H new ATOM 0 HG2 GLN A 35 -9.363 -2.858 3.319 1.00 62.13 H new ATOM 0 HG3 GLN A 35 -10.113 -1.627 4.316 1.00 62.13 H new ATOM 0 HE21 GLN A 35 -10.979 -2.746 1.740 1.00 44.11 H new ATOM 0 HE22 GLN A 35 -11.120 -1.373 0.638 1.00 44.11 H new ATOM 534 N VAL A 36 -5.726 0.480 3.175 1.00 3.54 N ATOM 535 CA VAL A 36 -4.653 1.358 3.604 1.00 52.43 C ATOM 536 C VAL A 36 -4.989 1.944 4.975 1.00 74.44 C ATOM 537 O VAL A 36 -6.065 2.514 5.172 1.00 25.35 O ATOM 538 CB VAL A 36 -4.397 2.489 2.570 1.00 3.11 C ATOM 539 CG1 VAL A 36 -5.681 3.235 2.234 1.00 33.51 C ATOM 540 CG2 VAL A 36 -3.333 3.455 3.069 1.00 51.35 C ATOM 0 H VAL A 36 -6.523 0.965 2.763 1.00 3.54 H new ATOM 0 HA VAL A 36 -3.736 0.773 3.678 1.00 52.43 H new ATOM 0 HB VAL A 36 -4.032 2.020 1.656 1.00 3.11 H new ATOM 0 HG11 VAL A 36 -5.467 4.019 1.508 1.00 33.51 H new ATOM 0 HG12 VAL A 36 -6.407 2.539 1.813 1.00 33.51 H new ATOM 0 HG13 VAL A 36 -6.090 3.681 3.140 1.00 33.51 H new ATOM 0 HG21 VAL A 36 -3.174 4.236 2.326 1.00 51.35 H new ATOM 0 HG22 VAL A 36 -3.662 3.906 4.005 1.00 51.35 H new ATOM 0 HG23 VAL A 36 -2.400 2.916 3.234 1.00 51.35 H new ATOM 550 N ILE A 37 -4.087 1.778 5.929 1.00 53.12 N ATOM 551 CA ILE A 37 -4.317 2.267 7.282 1.00 72.22 C ATOM 552 C ILE A 37 -4.069 3.766 7.332 1.00 12.22 C ATOM 553 O ILE A 37 -4.934 4.549 7.728 1.00 62.52 O ATOM 554 CB ILE A 37 -3.402 1.573 8.319 1.00 61.24 C ATOM 555 CG1 ILE A 37 -3.418 0.057 8.130 1.00 22.34 C ATOM 556 CG2 ILE A 37 -3.837 1.932 9.729 1.00 23.53 C ATOM 557 CD1 ILE A 37 -2.289 -0.462 7.265 1.00 23.14 C ATOM 0 H ILE A 37 -3.191 1.310 5.794 1.00 53.12 H new ATOM 0 HA ILE A 37 -5.352 2.038 7.538 1.00 72.22 H new ATOM 0 HB ILE A 37 -2.382 1.926 8.165 1.00 61.24 H new ATOM 0 HG12 ILE A 37 -3.364 -0.422 9.107 1.00 22.34 H new ATOM 0 HG13 ILE A 37 -4.369 -0.234 7.684 1.00 22.34 H new ATOM 0 HG21 ILE A 37 -3.185 1.437 10.448 1.00 23.53 H new ATOM 0 HG22 ILE A 37 -3.774 3.012 9.865 1.00 23.53 H new ATOM 0 HG23 ILE A 37 -4.865 1.606 9.887 1.00 23.53 H new ATOM 0 HD11 ILE A 37 -2.367 -1.546 7.177 1.00 23.14 H new ATOM 0 HD12 ILE A 37 -2.353 -0.012 6.274 1.00 23.14 H new ATOM 0 HD13 ILE A 37 -1.333 -0.203 7.720 1.00 23.14 H new ATOM 569 N SER A 38 -2.880 4.146 6.913 1.00 61.22 N ATOM 570 CA SER A 38 -2.506 5.542 6.822 1.00 2.43 C ATOM 571 C SER A 38 -1.557 5.728 5.656 1.00 62.12 C ATOM 572 O SER A 38 -0.883 4.785 5.235 1.00 23.14 O ATOM 573 CB SER A 38 -1.863 6.021 8.130 1.00 3.52 C ATOM 574 OG SER A 38 -1.449 7.376 8.043 1.00 30.41 O ATOM 0 H SER A 38 -2.147 3.497 6.626 1.00 61.22 H new ATOM 0 HA SER A 38 -3.400 6.143 6.657 1.00 2.43 H new ATOM 0 HB2 SER A 38 -2.574 5.909 8.948 1.00 3.52 H new ATOM 0 HB3 SER A 38 -1.005 5.392 8.366 1.00 3.52 H new ATOM 0 HG SER A 38 -1.045 7.650 8.893 1.00 30.41 H new ATOM 580 N GLU A 39 -1.512 6.935 5.133 1.00 14.54 N ATOM 581 CA GLU A 39 -0.706 7.219 3.966 1.00 74.45 C ATOM 582 C GLU A 39 0.211 8.408 4.201 1.00 23.14 C ATOM 583 O GLU A 39 -0.010 9.218 5.105 1.00 44.31 O ATOM 584 CB GLU A 39 -1.596 7.446 2.733 1.00 71.44 C ATOM 585 CG GLU A 39 -2.897 8.193 3.002 1.00 44.34 C ATOM 586 CD GLU A 39 -2.696 9.616 3.478 1.00 62.43 C ATOM 587 OE1 GLU A 39 -2.197 10.450 2.691 1.00 54.12 O ATOM 588 OE2 GLU A 39 -3.055 9.913 4.635 1.00 62.33 O ATOM 0 H GLU A 39 -2.026 7.737 5.499 1.00 14.54 H new ATOM 0 HA GLU A 39 -0.075 6.350 3.777 1.00 74.45 H new ATOM 0 HB2 GLU A 39 -1.024 8.000 1.989 1.00 71.44 H new ATOM 0 HB3 GLU A 39 -1.836 6.477 2.294 1.00 71.44 H new ATOM 0 HG2 GLU A 39 -3.493 8.206 2.090 1.00 44.34 H new ATOM 0 HG3 GLU A 39 -3.471 7.647 3.751 1.00 44.34 H new ATOM 595 N ASN A 40 1.258 8.487 3.401 1.00 1.54 N ATOM 596 CA ASN A 40 2.199 9.585 3.462 1.00 61.21 C ATOM 597 C ASN A 40 2.458 10.103 2.060 1.00 52.12 C ATOM 598 O ASN A 40 1.962 9.539 1.081 1.00 54.50 O ATOM 599 CB ASN A 40 3.515 9.157 4.118 1.00 0.34 C ATOM 600 CG ASN A 40 3.337 8.678 5.550 1.00 64.44 C ATOM 601 OD1 ASN A 40 3.072 7.501 5.795 1.00 21.44 O ATOM 602 ND2 ASN A 40 3.489 9.581 6.507 1.00 55.34 N ATOM 0 H ASN A 40 1.478 7.789 2.690 1.00 1.54 H new ATOM 0 HA ASN A 40 1.767 10.377 4.074 1.00 61.21 H new ATOM 0 HB2 ASN A 40 3.966 8.360 3.528 1.00 0.34 H new ATOM 0 HB3 ASN A 40 4.211 9.996 4.105 1.00 0.34 H new ATOM 0 HD21 ASN A 40 3.387 9.310 7.485 1.00 55.34 H new ATOM 0 HD22 ASN A 40 3.708 10.548 6.266 1.00 55.34 H new ATOM 609 N SER A 41 3.207 11.182 1.971 1.00 53.15 N ATOM 610 CA SER A 41 3.498 11.829 0.709 1.00 61.33 C ATOM 611 C SER A 41 4.520 11.018 -0.086 1.00 64.02 C ATOM 612 O SER A 41 5.719 11.298 -0.074 1.00 15.30 O ATOM 613 CB SER A 41 4.015 13.240 0.974 1.00 34.11 C ATOM 614 OG SER A 41 3.933 14.056 -0.187 1.00 3.42 O ATOM 0 H SER A 41 3.634 11.638 2.778 1.00 53.15 H new ATOM 0 HA SER A 41 2.586 11.889 0.115 1.00 61.33 H new ATOM 0 HB2 SER A 41 3.438 13.694 1.779 1.00 34.11 H new ATOM 0 HB3 SER A 41 5.050 13.191 1.312 1.00 34.11 H new ATOM 0 HG SER A 41 4.271 14.953 0.019 1.00 3.42 H new ATOM 620 N GLY A 42 4.034 9.969 -0.714 1.00 44.31 N ATOM 621 CA GLY A 42 4.867 9.142 -1.562 1.00 24.14 C ATOM 622 C GLY A 42 4.403 7.705 -1.560 1.00 33.23 C ATOM 623 O GLY A 42 3.859 7.216 -2.553 1.00 73.41 O ATOM 0 H GLY A 42 3.062 9.667 -0.653 1.00 44.31 H new ATOM 0 HA2 GLY A 42 4.850 9.530 -2.581 1.00 24.14 H new ATOM 0 HA3 GLY A 42 5.900 9.192 -1.219 1.00 24.14 H new ATOM 627 N TRP A 43 4.613 7.029 -0.441 1.00 3.11 N ATOM 628 CA TRP A 43 4.144 5.660 -0.273 1.00 25.12 C ATOM 629 C TRP A 43 3.093 5.589 0.830 1.00 72.44 C ATOM 630 O TRP A 43 3.151 6.335 1.813 1.00 4.21 O ATOM 631 CB TRP A 43 5.303 4.707 0.050 1.00 33.44 C ATOM 632 CG TRP A 43 6.179 4.366 -1.125 1.00 41.32 C ATOM 633 CD1 TRP A 43 6.138 4.906 -2.379 1.00 14.21 C ATOM 634 CD2 TRP A 43 7.227 3.392 -1.146 1.00 15.24 C ATOM 635 NE1 TRP A 43 7.102 4.331 -3.173 1.00 33.35 N ATOM 636 CE2 TRP A 43 7.784 3.396 -2.439 1.00 3.43 C ATOM 637 CE3 TRP A 43 7.747 2.516 -0.192 1.00 13.22 C ATOM 638 CZ2 TRP A 43 8.840 2.558 -2.799 1.00 15.04 C ATOM 639 CZ3 TRP A 43 8.794 1.686 -0.549 1.00 23.02 C ATOM 640 CH2 TRP A 43 9.330 1.712 -1.840 1.00 40.21 C ATOM 0 H TRP A 43 5.107 7.407 0.368 1.00 3.11 H new ATOM 0 HA TRP A 43 3.697 5.346 -1.216 1.00 25.12 H new ATOM 0 HB2 TRP A 43 5.920 5.157 0.828 1.00 33.44 H new ATOM 0 HB3 TRP A 43 4.894 3.784 0.461 1.00 33.44 H new ATOM 0 HD1 TRP A 43 5.449 5.673 -2.700 1.00 14.21 H new ATOM 0 HE1 TRP A 43 7.281 4.563 -4.150 1.00 33.35 H new ATOM 0 HE3 TRP A 43 7.339 2.487 0.808 1.00 13.22 H new ATOM 0 HZ2 TRP A 43 9.255 2.576 -3.796 1.00 15.04 H new ATOM 0 HZ3 TRP A 43 9.205 1.006 0.182 1.00 23.02 H new ATOM 0 HH2 TRP A 43 10.148 1.051 -2.086 1.00 40.21 H new ATOM 651 N SER A 44 2.132 4.697 0.653 1.00 54.41 N ATOM 652 CA SER A 44 1.063 4.502 1.620 1.00 32.22 C ATOM 653 C SER A 44 1.151 3.103 2.224 1.00 73.44 C ATOM 654 O SER A 44 1.379 2.127 1.506 1.00 43.45 O ATOM 655 CB SER A 44 -0.291 4.703 0.945 1.00 42.10 C ATOM 656 OG SER A 44 -0.333 5.942 0.257 1.00 22.04 O ATOM 0 H SER A 44 2.071 4.089 -0.163 1.00 54.41 H new ATOM 0 HA SER A 44 1.169 5.234 2.420 1.00 32.22 H new ATOM 0 HB2 SER A 44 -0.478 3.888 0.246 1.00 42.10 H new ATOM 0 HB3 SER A 44 -1.083 4.670 1.693 1.00 42.10 H new ATOM 0 HG SER A 44 -1.209 6.050 -0.170 1.00 22.04 H new ATOM 662 N LYS A 45 0.992 3.011 3.537 1.00 50.21 N ATOM 663 CA LYS A 45 1.090 1.754 4.237 1.00 44.11 C ATOM 664 C LYS A 45 -0.218 0.976 4.166 1.00 43.22 C ATOM 665 O LYS A 45 -1.281 1.472 4.546 1.00 35.44 O ATOM 666 CB LYS A 45 1.456 2.043 5.676 1.00 22.23 C ATOM 667 CG LYS A 45 1.608 0.815 6.531 1.00 73.24 C ATOM 668 CD LYS A 45 2.103 1.207 7.896 1.00 72.02 C ATOM 669 CE LYS A 45 3.453 1.899 7.808 1.00 54.13 C ATOM 670 NZ LYS A 45 3.852 2.499 9.109 1.00 55.44 N ATOM 0 H LYS A 45 0.792 3.809 4.139 1.00 50.21 H new ATOM 0 HA LYS A 45 1.856 1.136 3.768 1.00 44.11 H new ATOM 0 HB2 LYS A 45 2.390 2.604 5.696 1.00 22.23 H new ATOM 0 HB3 LYS A 45 0.690 2.684 6.113 1.00 22.23 H new ATOM 0 HG2 LYS A 45 0.652 0.298 6.615 1.00 73.24 H new ATOM 0 HG3 LYS A 45 2.307 0.120 6.066 1.00 73.24 H new ATOM 0 HD2 LYS A 45 1.381 1.870 8.372 1.00 72.02 H new ATOM 0 HD3 LYS A 45 2.185 0.321 8.525 1.00 72.02 H new ATOM 0 HE2 LYS A 45 4.210 1.181 7.492 1.00 54.13 H new ATOM 0 HE3 LYS A 45 3.414 2.677 7.046 1.00 54.13 H new ATOM 0 HZ1 LYS A 45 4.778 2.962 9.008 1.00 55.44 H new ATOM 0 HZ2 LYS A 45 3.143 3.203 9.399 1.00 55.44 H new ATOM 0 HZ3 LYS A 45 3.914 1.753 9.831 1.00 55.44 H new ATOM 684 N ILE A 46 -0.123 -0.253 3.693 1.00 2.15 N ATOM 685 CA ILE A 46 -1.295 -1.093 3.496 1.00 63.02 C ATOM 686 C ILE A 46 -1.112 -2.443 4.168 1.00 74.42 C ATOM 687 O ILE A 46 -0.021 -2.772 4.641 1.00 43.44 O ATOM 688 CB ILE A 46 -1.577 -1.342 1.998 1.00 12.13 C ATOM 689 CG1 ILE A 46 -0.385 -2.059 1.351 1.00 51.24 C ATOM 690 CG2 ILE A 46 -1.875 -0.031 1.285 1.00 13.23 C ATOM 691 CD1 ILE A 46 -0.644 -2.527 -0.062 1.00 51.14 C ATOM 0 H ILE A 46 0.759 -0.696 3.436 1.00 2.15 H new ATOM 0 HA ILE A 46 -2.135 -0.559 3.939 1.00 63.02 H new ATOM 0 HB ILE A 46 -2.455 -1.981 1.906 1.00 12.13 H new ATOM 0 HG12 ILE A 46 0.473 -1.387 1.349 1.00 51.24 H new ATOM 0 HG13 ILE A 46 -0.115 -2.919 1.964 1.00 51.24 H new ATOM 0 HG21 ILE A 46 -2.071 -0.227 0.231 1.00 13.23 H new ATOM 0 HG22 ILE A 46 -2.750 0.438 1.736 1.00 13.23 H new ATOM 0 HG23 ILE A 46 -1.018 0.636 1.377 1.00 13.23 H new ATOM 0 HD11 ILE A 46 0.245 -3.024 -0.450 1.00 51.14 H new ATOM 0 HD12 ILE A 46 -1.481 -3.226 -0.066 1.00 51.14 H new ATOM 0 HD13 ILE A 46 -0.884 -1.670 -0.691 1.00 51.14 H new ATOM 703 N ASN A 47 -2.182 -3.216 4.211 1.00 10.25 N ATOM 704 CA ASN A 47 -2.100 -4.598 4.651 1.00 25.50 C ATOM 705 C ASN A 47 -2.716 -5.493 3.590 1.00 53.00 C ATOM 706 O ASN A 47 -3.919 -5.426 3.336 1.00 43.11 O ATOM 707 CB ASN A 47 -2.816 -4.804 5.986 1.00 3.42 C ATOM 708 CG ASN A 47 -2.456 -6.134 6.620 1.00 65.13 C ATOM 709 OD1 ASN A 47 -3.072 -7.164 6.338 1.00 71.34 O ATOM 710 ND2 ASN A 47 -1.457 -6.114 7.486 1.00 32.51 N ATOM 0 H ASN A 47 -3.119 -2.911 3.947 1.00 10.25 H new ATOM 0 HA ASN A 47 -1.051 -4.854 4.796 1.00 25.50 H new ATOM 0 HB2 ASN A 47 -2.555 -3.994 6.667 1.00 3.42 H new ATOM 0 HB3 ASN A 47 -3.894 -4.755 5.831 1.00 3.42 H new ATOM 0 HD21 ASN A 47 -1.168 -6.975 7.951 1.00 32.51 H new ATOM 0 HD22 ASN A 47 -0.975 -5.238 7.689 1.00 32.51 H new ATOM 717 N TYR A 48 -1.898 -6.323 2.965 1.00 42.33 N ATOM 718 CA TYR A 48 -2.367 -7.147 1.866 1.00 31.34 C ATOM 719 C TYR A 48 -2.559 -8.580 2.339 1.00 52.22 C ATOM 720 O TYR A 48 -1.717 -9.439 2.107 1.00 70.31 O ATOM 721 CB TYR A 48 -1.370 -7.080 0.699 1.00 52.21 C ATOM 722 CG TYR A 48 -1.903 -7.589 -0.624 1.00 21.52 C ATOM 723 CD1 TYR A 48 -2.875 -6.885 -1.318 1.00 74.23 C ATOM 724 CD2 TYR A 48 -1.416 -8.757 -1.192 1.00 61.20 C ATOM 725 CE1 TYR A 48 -3.351 -7.331 -2.536 1.00 55.53 C ATOM 726 CE2 TYR A 48 -1.886 -9.213 -2.408 1.00 13.21 C ATOM 727 CZ TYR A 48 -2.854 -8.495 -3.076 1.00 33.31 C ATOM 728 OH TYR A 48 -3.309 -8.930 -4.299 1.00 13.53 O ATOM 0 H TYR A 48 -0.912 -6.443 3.198 1.00 42.33 H new ATOM 0 HA TYR A 48 -3.328 -6.771 1.515 1.00 31.34 H new ATOM 0 HB2 TYR A 48 -1.051 -6.046 0.572 1.00 52.21 H new ATOM 0 HB3 TYR A 48 -0.484 -7.657 0.963 1.00 52.21 H new ATOM 0 HD1 TYR A 48 -3.268 -5.970 -0.899 1.00 74.23 H new ATOM 0 HD2 TYR A 48 -0.655 -9.321 -0.673 1.00 61.20 H new ATOM 0 HE1 TYR A 48 -4.109 -6.769 -3.061 1.00 55.53 H new ATOM 0 HE2 TYR A 48 -1.497 -10.127 -2.833 1.00 13.21 H new ATOM 0 HH TYR A 48 -2.857 -9.766 -4.538 1.00 13.53 H new ATOM 738 N ASN A 49 -3.661 -8.821 3.041 1.00 32.24 N ATOM 739 CA ASN A 49 -3.981 -10.156 3.547 1.00 25.21 C ATOM 740 C ASN A 49 -2.884 -10.695 4.464 1.00 43.30 C ATOM 741 O ASN A 49 -2.435 -11.834 4.319 1.00 64.14 O ATOM 742 CB ASN A 49 -4.218 -11.127 2.391 1.00 2.32 C ATOM 743 CG ASN A 49 -5.606 -11.002 1.801 1.00 24.32 C ATOM 744 OD1 ASN A 49 -6.563 -10.668 2.503 1.00 34.55 O ATOM 745 ND2 ASN A 49 -5.727 -11.263 0.510 1.00 24.42 N ATOM 0 H ASN A 49 -4.352 -8.108 3.275 1.00 32.24 H new ATOM 0 HA ASN A 49 -4.895 -10.067 4.134 1.00 25.21 H new ATOM 0 HB2 ASN A 49 -3.478 -10.945 1.611 1.00 2.32 H new ATOM 0 HB3 ASN A 49 -4.067 -12.148 2.742 1.00 2.32 H new ATOM 0 HD21 ASN A 49 -6.639 -11.191 0.058 1.00 24.42 H new ATOM 0 HD22 ASN A 49 -4.909 -11.536 -0.034 1.00 24.42 H new ATOM 752 N GLY A 50 -2.454 -9.869 5.407 1.00 22.10 N ATOM 753 CA GLY A 50 -1.497 -10.318 6.402 1.00 44.15 C ATOM 754 C GLY A 50 -0.053 -10.026 6.034 1.00 35.43 C ATOM 755 O GLY A 50 0.824 -10.057 6.898 1.00 71.42 O ATOM 0 H GLY A 50 -2.749 -8.897 5.502 1.00 22.10 H new ATOM 0 HA2 GLY A 50 -1.724 -9.839 7.354 1.00 44.15 H new ATOM 0 HA3 GLY A 50 -1.615 -11.392 6.549 1.00 44.15 H new ATOM 759 N GLN A 51 0.214 -9.742 4.766 1.00 31.21 N ATOM 760 CA GLN A 51 1.575 -9.425 4.352 1.00 4.55 C ATOM 761 C GLN A 51 1.749 -7.919 4.214 1.00 22.33 C ATOM 762 O GLN A 51 0.804 -7.194 3.885 1.00 24.31 O ATOM 763 CB GLN A 51 1.954 -10.159 3.060 1.00 32.30 C ATOM 764 CG GLN A 51 1.106 -9.796 1.856 1.00 61.33 C ATOM 765 CD GLN A 51 1.175 -10.836 0.753 1.00 25.52 C ATOM 766 OE1 GLN A 51 0.219 -11.027 0.002 1.00 71.44 O ATOM 767 NE2 GLN A 51 2.292 -11.534 0.663 1.00 25.23 N ATOM 0 H GLN A 51 -0.479 -9.724 4.018 1.00 31.21 H new ATOM 0 HA GLN A 51 2.258 -9.775 5.126 1.00 4.55 H new ATOM 0 HB2 GLN A 51 2.998 -9.947 2.830 1.00 32.30 H new ATOM 0 HB3 GLN A 51 1.877 -11.233 3.232 1.00 32.30 H new ATOM 0 HG2 GLN A 51 0.069 -9.675 2.171 1.00 61.33 H new ATOM 0 HG3 GLN A 51 1.434 -8.834 1.463 1.00 61.33 H new ATOM 0 HE21 GLN A 51 3.063 -11.347 1.304 1.00 25.23 H new ATOM 0 HE22 GLN A 51 2.384 -12.260 -0.047 1.00 25.23 H new ATOM 776 N THR A 52 2.957 -7.456 4.488 1.00 75.20 N ATOM 777 CA THR A 52 3.241 -6.033 4.555 1.00 13.31 C ATOM 778 C THR A 52 3.585 -5.471 3.179 1.00 5.03 C ATOM 779 O THR A 52 4.269 -6.122 2.387 1.00 44.52 O ATOM 780 CB THR A 52 4.409 -5.763 5.525 1.00 33.12 C ATOM 781 OG1 THR A 52 4.137 -6.374 6.800 1.00 63.23 O ATOM 782 CG2 THR A 52 4.633 -4.270 5.719 1.00 43.12 C ATOM 0 H THR A 52 3.764 -8.052 4.669 1.00 75.20 H new ATOM 0 HA THR A 52 2.342 -5.535 4.919 1.00 13.31 H new ATOM 0 HB THR A 52 5.312 -6.194 5.091 1.00 33.12 H new ATOM 0 HG1 THR A 52 4.883 -6.201 7.412 1.00 63.23 H new ATOM 0 HG21 THR A 52 5.463 -4.113 6.408 1.00 43.12 H new ATOM 0 HG22 THR A 52 4.866 -3.809 4.759 1.00 43.12 H new ATOM 0 HG23 THR A 52 3.730 -3.817 6.129 1.00 43.12 H new ATOM 790 N GLY A 53 3.101 -4.268 2.899 1.00 60.33 N ATOM 791 CA GLY A 53 3.405 -3.619 1.644 1.00 62.24 C ATOM 792 C GLY A 53 3.205 -2.119 1.714 1.00 0.01 C ATOM 793 O GLY A 53 2.529 -1.616 2.616 1.00 32.10 O ATOM 0 H GLY A 53 2.501 -3.730 3.524 1.00 60.33 H new ATOM 0 HA2 GLY A 53 4.437 -3.834 1.366 1.00 62.24 H new ATOM 0 HA3 GLY A 53 2.771 -4.032 0.860 1.00 62.24 H new ATOM 797 N TYR A 54 3.806 -1.407 0.772 1.00 24.11 N ATOM 798 CA TYR A 54 3.626 0.032 0.653 1.00 61.33 C ATOM 799 C TYR A 54 3.334 0.358 -0.803 1.00 41.12 C ATOM 800 O TYR A 54 3.962 -0.205 -1.690 1.00 34.21 O ATOM 801 CB TYR A 54 4.884 0.786 1.102 1.00 14.13 C ATOM 802 CG TYR A 54 5.403 0.379 2.465 1.00 74.21 C ATOM 803 CD1 TYR A 54 4.843 0.891 3.628 1.00 20.42 C ATOM 804 CD2 TYR A 54 6.459 -0.515 2.583 1.00 4.03 C ATOM 805 CE1 TYR A 54 5.324 0.524 4.871 1.00 2.14 C ATOM 806 CE2 TYR A 54 6.944 -0.888 3.820 1.00 25.32 C ATOM 807 CZ TYR A 54 6.374 -0.368 4.960 1.00 75.42 C ATOM 808 OH TYR A 54 6.863 -0.735 6.194 1.00 3.33 O ATOM 0 H TYR A 54 4.429 -1.808 0.072 1.00 24.11 H new ATOM 0 HA TYR A 54 2.800 0.343 1.293 1.00 61.33 H new ATOM 0 HB2 TYR A 54 5.671 0.627 0.365 1.00 14.13 H new ATOM 0 HB3 TYR A 54 4.668 1.854 1.113 1.00 14.13 H new ATOM 0 HD1 TYR A 54 4.019 1.586 3.560 1.00 20.42 H new ATOM 0 HD2 TYR A 54 6.909 -0.926 1.691 1.00 4.03 H new ATOM 0 HE1 TYR A 54 4.881 0.933 5.767 1.00 2.14 H new ATOM 0 HE2 TYR A 54 7.766 -1.584 3.893 1.00 25.32 H new ATOM 0 HH TYR A 54 7.600 -1.370 6.078 1.00 3.33 H new ATOM 818 N ILE A 55 2.404 1.266 -1.050 1.00 50.05 N ATOM 819 CA ILE A 55 1.989 1.565 -2.417 1.00 22.02 C ATOM 820 C ILE A 55 2.199 3.033 -2.761 1.00 13.05 C ATOM 821 O ILE A 55 2.443 3.853 -1.880 1.00 44.31 O ATOM 822 CB ILE A 55 0.509 1.172 -2.657 1.00 4.00 C ATOM 823 CG1 ILE A 55 -0.436 1.886 -1.682 1.00 41.42 C ATOM 824 CG2 ILE A 55 0.339 -0.329 -2.535 1.00 41.43 C ATOM 825 CD1 ILE A 55 -0.870 3.260 -2.142 1.00 75.41 C ATOM 0 H ILE A 55 1.924 1.807 -0.331 1.00 50.05 H new ATOM 0 HA ILE A 55 2.619 0.966 -3.075 1.00 22.02 H new ATOM 0 HB ILE A 55 0.246 1.487 -3.667 1.00 4.00 H new ATOM 0 HG12 ILE A 55 -1.321 1.268 -1.532 1.00 41.42 H new ATOM 0 HG13 ILE A 55 0.058 1.977 -0.714 1.00 41.42 H new ATOM 0 HG21 ILE A 55 -0.705 -0.592 -2.706 1.00 41.43 H new ATOM 0 HG22 ILE A 55 0.965 -0.827 -3.276 1.00 41.43 H new ATOM 0 HG23 ILE A 55 0.635 -0.649 -1.536 1.00 41.43 H new ATOM 0 HD11 ILE A 55 -1.536 3.699 -1.399 1.00 75.41 H new ATOM 0 HD12 ILE A 55 0.006 3.896 -2.265 1.00 75.41 H new ATOM 0 HD13 ILE A 55 -1.394 3.176 -3.094 1.00 75.41 H new ATOM 837 N GLY A 56 2.098 3.356 -4.043 1.00 54.42 N ATOM 838 CA GLY A 56 2.232 4.730 -4.475 1.00 32.22 C ATOM 839 C GLY A 56 0.969 5.524 -4.221 1.00 64.02 C ATOM 840 O GLY A 56 -0.082 5.215 -4.778 1.00 4.04 O ATOM 0 H GLY A 56 1.925 2.687 -4.793 1.00 54.42 H new ATOM 0 HA2 GLY A 56 3.066 5.196 -3.951 1.00 32.22 H new ATOM 0 HA3 GLY A 56 2.470 4.755 -5.538 1.00 32.22 H new ATOM 844 N THR A 57 1.083 6.562 -3.401 1.00 12.24 N ATOM 845 CA THR A 57 -0.069 7.349 -2.957 1.00 31.01 C ATOM 846 C THR A 57 -0.847 7.971 -4.127 1.00 54.22 C ATOM 847 O THR A 57 -2.000 8.377 -3.970 1.00 21.22 O ATOM 848 CB THR A 57 0.388 8.466 -1.999 1.00 4.21 C ATOM 849 OG1 THR A 57 1.313 7.927 -1.044 1.00 22.34 O ATOM 850 CG2 THR A 57 -0.795 9.083 -1.262 1.00 55.41 C ATOM 0 H THR A 57 1.974 6.884 -3.024 1.00 12.24 H new ATOM 0 HA THR A 57 -0.740 6.661 -2.442 1.00 31.01 H new ATOM 0 HB THR A 57 0.868 9.246 -2.590 1.00 4.21 H new ATOM 0 HG1 THR A 57 0.867 7.237 -0.510 1.00 22.34 H new ATOM 0 HG21 THR A 57 -0.439 9.867 -0.594 1.00 55.41 H new ATOM 0 HG22 THR A 57 -1.491 9.510 -1.984 1.00 55.41 H new ATOM 0 HG23 THR A 57 -1.302 8.314 -0.680 1.00 55.41 H new ATOM 858 N ARG A 58 -0.224 8.037 -5.300 1.00 61.15 N ATOM 859 CA ARG A 58 -0.872 8.613 -6.465 1.00 24.14 C ATOM 860 C ARG A 58 -1.972 7.706 -7.012 1.00 54.42 C ATOM 861 O ARG A 58 -2.914 8.188 -7.644 1.00 2.40 O ATOM 862 CB ARG A 58 0.148 8.929 -7.558 1.00 72.12 C ATOM 863 CG ARG A 58 0.745 10.320 -7.435 1.00 34.42 C ATOM 864 CD ARG A 58 1.572 10.691 -8.656 1.00 4.51 C ATOM 865 NE ARG A 58 1.924 12.111 -8.659 1.00 11.24 N ATOM 866 CZ ARG A 58 2.452 12.752 -9.702 1.00 62.11 C ATOM 867 NH1 ARG A 58 2.754 12.090 -10.816 1.00 31.31 N ATOM 868 NH2 ARG A 58 2.695 14.055 -9.622 1.00 31.25 N ATOM 0 H ARG A 58 0.724 7.699 -5.465 1.00 61.15 H new ATOM 0 HA ARG A 58 -1.339 9.544 -6.143 1.00 24.14 H new ATOM 0 HB2 ARG A 58 0.950 8.192 -7.522 1.00 72.12 H new ATOM 0 HB3 ARG A 58 -0.331 8.831 -8.532 1.00 72.12 H new ATOM 0 HG2 ARG A 58 -0.055 11.048 -7.303 1.00 34.42 H new ATOM 0 HG3 ARG A 58 1.371 10.369 -6.544 1.00 34.42 H new ATOM 0 HD2 ARG A 58 2.481 10.090 -8.676 1.00 4.51 H new ATOM 0 HD3 ARG A 58 1.013 10.453 -9.561 1.00 4.51 H new ATOM 0 HE ARG A 58 1.754 12.646 -7.807 1.00 11.24 H new ATOM 0 HH11 ARG A 58 2.582 11.086 -10.875 1.00 31.31 H new ATOM 0 HH12 ARG A 58 3.158 12.586 -11.611 1.00 31.31 H new ATOM 0 HH21 ARG A 58 2.478 14.563 -8.764 1.00 31.25 H new ATOM 0 HH22 ARG A 58 3.099 14.548 -10.418 1.00 31.25 H new ATOM 882 N TYR A 59 -1.866 6.404 -6.771 1.00 0.33 N ATOM 883 CA TYR A 59 -2.875 5.468 -7.226 1.00 14.42 C ATOM 884 C TYR A 59 -3.477 4.711 -6.052 1.00 25.31 C ATOM 885 O TYR A 59 -2.777 4.015 -5.321 1.00 3.13 O ATOM 886 CB TYR A 59 -2.272 4.487 -8.225 1.00 15.43 C ATOM 887 CG TYR A 59 -2.126 5.043 -9.620 1.00 31.34 C ATOM 888 CD1 TYR A 59 -1.113 5.938 -9.929 1.00 54.14 C ATOM 889 CD2 TYR A 59 -3.004 4.671 -10.629 1.00 14.34 C ATOM 890 CE1 TYR A 59 -0.976 6.448 -11.205 1.00 32.10 C ATOM 891 CE2 TYR A 59 -2.874 5.175 -11.908 1.00 23.02 C ATOM 892 CZ TYR A 59 -1.859 6.063 -12.192 1.00 32.42 C ATOM 893 OH TYR A 59 -1.724 6.569 -13.467 1.00 42.32 O ATOM 0 H TYR A 59 -1.091 5.978 -6.263 1.00 0.33 H new ATOM 0 HA TYR A 59 -3.668 6.033 -7.716 1.00 14.42 H new ATOM 0 HB2 TYR A 59 -1.292 4.175 -7.865 1.00 15.43 H new ATOM 0 HB3 TYR A 59 -2.897 3.595 -8.264 1.00 15.43 H new ATOM 0 HD1 TYR A 59 -0.419 6.241 -9.159 1.00 54.14 H new ATOM 0 HD2 TYR A 59 -3.801 3.976 -10.410 1.00 14.34 H new ATOM 0 HE1 TYR A 59 -0.182 7.145 -11.429 1.00 32.10 H new ATOM 0 HE2 TYR A 59 -3.565 4.875 -12.682 1.00 23.02 H new ATOM 0 HH TYR A 59 -2.425 6.197 -14.042 1.00 42.32 H new ATOM 903 N LEU A 60 -4.778 4.871 -5.879 1.00 65.30 N ATOM 904 CA LEU A 60 -5.521 4.197 -4.822 1.00 42.25 C ATOM 905 C LEU A 60 -6.991 4.102 -5.193 1.00 53.12 C ATOM 906 O LEU A 60 -7.471 4.850 -6.047 1.00 60.10 O ATOM 907 CB LEU A 60 -5.380 4.943 -3.489 1.00 54.34 C ATOM 908 CG LEU A 60 -4.201 4.511 -2.617 1.00 73.44 C ATOM 909 CD1 LEU A 60 -4.049 5.447 -1.429 1.00 30.11 C ATOM 910 CD2 LEU A 60 -4.392 3.076 -2.145 1.00 54.14 C ATOM 0 H LEU A 60 -5.353 5.473 -6.468 1.00 65.30 H new ATOM 0 HA LEU A 60 -5.107 3.195 -4.708 1.00 42.25 H new ATOM 0 HB2 LEU A 60 -5.285 6.009 -3.697 1.00 54.34 H new ATOM 0 HB3 LEU A 60 -6.299 4.810 -2.919 1.00 54.34 H new ATOM 0 HG LEU A 60 -3.290 4.561 -3.213 1.00 73.44 H new ATOM 0 HD11 LEU A 60 -3.205 5.126 -0.818 1.00 30.11 H new ATOM 0 HD12 LEU A 60 -3.873 6.462 -1.786 1.00 30.11 H new ATOM 0 HD13 LEU A 60 -4.959 5.426 -0.830 1.00 30.11 H new ATOM 0 HD21 LEU A 60 -3.545 2.781 -1.525 1.00 54.14 H new ATOM 0 HD22 LEU A 60 -5.311 3.004 -1.563 1.00 54.14 H new ATOM 0 HD23 LEU A 60 -4.457 2.414 -3.009 1.00 54.14 H new ATOM 922 N SER A 61 -7.706 3.198 -4.544 1.00 10.21 N ATOM 923 CA SER A 61 -9.134 3.073 -4.762 1.00 51.55 C ATOM 924 C SER A 61 -9.906 3.761 -3.648 1.00 3.11 C ATOM 925 O SER A 61 -9.763 3.421 -2.475 1.00 53.11 O ATOM 926 CB SER A 61 -9.536 1.603 -4.835 1.00 11.34 C ATOM 927 OG SER A 61 -8.821 0.937 -5.855 1.00 22.12 O ATOM 0 H SER A 61 -7.321 2.542 -3.864 1.00 10.21 H new ATOM 0 HA SER A 61 -9.376 3.555 -5.709 1.00 51.55 H new ATOM 0 HB2 SER A 61 -9.344 1.121 -3.876 1.00 11.34 H new ATOM 0 HB3 SER A 61 -10.607 1.523 -5.024 1.00 11.34 H new ATOM 0 HG SER A 61 -9.093 -0.004 -5.884 1.00 22.12 H new ATOM 933 N LYS A 62 -10.707 4.738 -4.025 1.00 55.23 N ATOM 934 CA LYS A 62 -11.586 5.410 -3.091 1.00 22.12 C ATOM 935 C LYS A 62 -13.021 5.062 -3.449 1.00 35.20 C ATOM 936 O LYS A 62 -13.339 4.912 -4.629 1.00 34.15 O ATOM 937 CB LYS A 62 -11.351 6.919 -3.132 1.00 53.22 C ATOM 938 CG LYS A 62 -11.952 7.662 -1.951 1.00 11.32 C ATOM 939 CD LYS A 62 -11.406 9.074 -1.864 1.00 32.11 C ATOM 940 CE LYS A 62 -12.005 9.837 -0.695 1.00 41.32 C ATOM 941 NZ LYS A 62 -11.334 11.146 -0.481 1.00 73.34 N ATOM 0 H LYS A 62 -10.766 5.086 -4.982 1.00 55.23 H new ATOM 0 HA LYS A 62 -11.380 5.080 -2.073 1.00 22.12 H new ATOM 0 HB2 LYS A 62 -10.278 7.110 -3.163 1.00 53.22 H new ATOM 0 HB3 LYS A 62 -11.773 7.319 -4.054 1.00 53.22 H new ATOM 0 HG2 LYS A 62 -13.037 7.693 -2.050 1.00 11.32 H new ATOM 0 HG3 LYS A 62 -11.731 7.125 -1.028 1.00 11.32 H new ATOM 0 HD2 LYS A 62 -10.322 9.039 -1.758 1.00 32.11 H new ATOM 0 HD3 LYS A 62 -11.619 9.604 -2.792 1.00 32.11 H new ATOM 0 HE2 LYS A 62 -13.068 10.000 -0.875 1.00 41.32 H new ATOM 0 HE3 LYS A 62 -11.923 9.236 0.210 1.00 41.32 H new ATOM 0 HZ1 LYS A 62 -11.773 11.634 0.326 1.00 73.34 H new ATOM 0 HZ2 LYS A 62 -10.325 10.991 -0.284 1.00 73.34 H new ATOM 0 HZ3 LYS A 62 -11.434 11.731 -1.335 1.00 73.34 H new ATOM 955 N LEU A 63 -13.868 4.892 -2.443 1.00 54.42 N ATOM 956 CA LEU A 63 -15.243 4.471 -2.673 1.00 1.34 C ATOM 957 C LEU A 63 -16.034 5.555 -3.397 1.00 33.25 C ATOM 958 O LEU A 63 -16.732 5.263 -4.360 1.00 21.54 O ATOM 959 CB LEU A 63 -15.926 4.121 -1.349 1.00 33.51 C ATOM 960 CG LEU A 63 -17.343 3.553 -1.479 1.00 23.53 C ATOM 961 CD1 LEU A 63 -17.324 2.236 -2.243 1.00 54.40 C ATOM 962 CD2 LEU A 63 -17.968 3.364 -0.106 1.00 71.31 C ATOM 0 H LEU A 63 -13.628 5.039 -1.463 1.00 54.42 H new ATOM 0 HA LEU A 63 -15.219 3.583 -3.304 1.00 1.34 H new ATOM 0 HB2 LEU A 63 -15.308 3.396 -0.820 1.00 33.51 H new ATOM 0 HB3 LEU A 63 -15.966 5.018 -0.730 1.00 33.51 H new ATOM 0 HG LEU A 63 -17.949 4.265 -2.039 1.00 23.53 H new ATOM 0 HD11 LEU A 63 -18.339 1.848 -2.325 1.00 54.40 H new ATOM 0 HD12 LEU A 63 -16.917 2.400 -3.241 1.00 54.40 H new ATOM 0 HD13 LEU A 63 -16.702 1.516 -1.711 1.00 54.40 H new ATOM 0 HD21 LEU A 63 -18.974 2.960 -0.217 1.00 71.31 H new ATOM 0 HD22 LEU A 63 -17.361 2.672 0.478 1.00 71.31 H new ATOM 0 HD23 LEU A 63 -18.017 4.325 0.407 1.00 71.31 H new ATOM 974 N GLU A 64 -15.926 6.787 -2.879 1.00 32.34 N ATOM 975 CA GLU A 64 -16.590 7.993 -3.413 1.00 23.33 C ATOM 976 C GLU A 64 -18.055 7.705 -3.791 1.00 65.11 C ATOM 977 O GLU A 64 -18.647 6.740 -3.305 1.00 63.24 O ATOM 978 CB GLU A 64 -15.762 8.631 -4.573 1.00 53.41 C ATOM 979 CG GLU A 64 -16.197 8.362 -6.024 1.00 23.43 C ATOM 980 CD GLU A 64 -16.072 6.935 -6.509 1.00 70.23 C ATOM 981 OE1 GLU A 64 -14.939 6.429 -6.619 1.00 2.21 O ATOM 982 OE2 GLU A 64 -17.121 6.334 -6.841 1.00 34.41 O ATOM 0 H GLU A 64 -15.359 6.981 -2.054 1.00 32.34 H new ATOM 0 HA GLU A 64 -16.626 8.743 -2.623 1.00 23.33 H new ATOM 0 HB2 GLU A 64 -15.760 9.711 -4.423 1.00 53.41 H new ATOM 0 HB3 GLU A 64 -14.731 8.293 -4.469 1.00 53.41 H new ATOM 0 HG2 GLU A 64 -17.237 8.670 -6.132 1.00 23.43 H new ATOM 0 HG3 GLU A 64 -15.606 9.000 -6.682 1.00 23.43 H new ATOM 989 N HIS A 65 -18.680 8.580 -4.566 1.00 73.44 N ATOM 990 CA HIS A 65 -19.984 8.267 -5.132 1.00 62.04 C ATOM 991 C HIS A 65 -20.046 8.685 -6.597 1.00 44.31 C ATOM 992 O HIS A 65 -20.739 9.630 -6.974 1.00 61.42 O ATOM 993 CB HIS A 65 -21.146 8.864 -4.308 1.00 62.43 C ATOM 994 CG HIS A 65 -21.092 10.343 -4.074 1.00 11.34 C ATOM 995 ND1 HIS A 65 -21.994 11.222 -4.631 1.00 42.12 N ATOM 996 CD2 HIS A 65 -20.279 11.089 -3.292 1.00 43.41 C ATOM 997 CE1 HIS A 65 -21.738 12.443 -4.199 1.00 21.43 C ATOM 998 NE2 HIS A 65 -20.701 12.389 -3.385 1.00 24.13 N ATOM 0 H HIS A 65 -18.312 9.498 -4.814 1.00 73.44 H new ATOM 0 HA HIS A 65 -20.111 7.185 -5.084 1.00 62.04 H new ATOM 0 HB2 HIS A 65 -22.082 8.630 -4.815 1.00 62.43 H new ATOM 0 HB3 HIS A 65 -21.174 8.364 -3.340 1.00 62.43 H new ATOM 0 HD2 HIS A 65 -19.450 10.727 -2.703 1.00 43.41 H new ATOM 0 HE1 HIS A 65 -22.285 13.335 -4.467 1.00 21.43 H new ATOM 0 HE2 HIS A 65 -20.282 13.185 -2.904 1.00 24.13 H new ATOM 1007 N HIS A 66 -19.263 7.986 -7.412 1.00 10.24 N ATOM 1008 CA HIS A 66 -19.260 8.183 -8.856 1.00 62.15 C ATOM 1009 C HIS A 66 -19.406 6.849 -9.569 1.00 40.42 C ATOM 1010 O HIS A 66 -20.110 6.749 -10.577 1.00 74.02 O ATOM 1011 CB HIS A 66 -17.959 8.843 -9.332 1.00 25.44 C ATOM 1012 CG HIS A 66 -17.858 10.304 -9.048 1.00 2.53 C ATOM 1013 ND1 HIS A 66 -18.197 11.271 -9.964 1.00 43.14 N ATOM 1014 CD2 HIS A 66 -17.437 10.961 -7.949 1.00 42.40 C ATOM 1015 CE1 HIS A 66 -17.990 12.460 -9.441 1.00 5.43 C ATOM 1016 NE2 HIS A 66 -17.529 12.303 -8.217 1.00 52.14 N ATOM 0 H HIS A 66 -18.614 7.268 -7.090 1.00 10.24 H new ATOM 0 HA HIS A 66 -20.100 8.836 -9.093 1.00 62.15 H new ATOM 0 HB2 HIS A 66 -17.117 8.336 -8.860 1.00 25.44 H new ATOM 0 HB3 HIS A 66 -17.862 8.689 -10.407 1.00 25.44 H new ATOM 0 HD2 HIS A 66 -17.091 10.514 -7.029 1.00 42.40 H new ATOM 0 HE1 HIS A 66 -18.168 13.405 -9.932 1.00 5.43 H new ATOM 0 HE2 HIS A 66 -17.281 13.055 -7.574 1.00 52.14 H new ATOM 1025 N HIS A 67 -18.741 5.827 -9.022 1.00 5.44 N ATOM 1026 CA HIS A 67 -18.593 4.534 -9.685 1.00 11.53 C ATOM 1027 C HIS A 67 -17.719 4.701 -10.915 1.00 63.04 C ATOM 1028 O HIS A 67 -18.189 5.122 -11.977 1.00 22.04 O ATOM 1029 CB HIS A 67 -19.941 3.894 -10.049 1.00 4.22 C ATOM 1030 CG HIS A 67 -20.603 3.208 -8.896 1.00 21.12 C ATOM 1031 ND1 HIS A 67 -20.647 1.837 -8.765 1.00 65.41 N ATOM 1032 CD2 HIS A 67 -21.255 3.706 -7.821 1.00 41.35 C ATOM 1033 CE1 HIS A 67 -21.295 1.523 -7.660 1.00 72.13 C ATOM 1034 NE2 HIS A 67 -21.673 2.638 -7.067 1.00 44.01 N ATOM 0 H HIS A 67 -18.291 5.876 -8.108 1.00 5.44 H new ATOM 0 HA HIS A 67 -18.116 3.850 -8.983 1.00 11.53 H new ATOM 0 HB2 HIS A 67 -20.608 4.664 -10.436 1.00 4.22 H new ATOM 0 HB3 HIS A 67 -19.788 3.173 -10.852 1.00 4.22 H new ATOM 0 HD2 HIS A 67 -21.417 4.750 -7.597 1.00 41.35 H new ATOM 0 HE1 HIS A 67 -21.484 0.522 -7.302 1.00 72.13 H new ATOM 0 HE2 HIS A 67 -22.192 2.697 -6.191 1.00 44.01 H new ATOM 1043 N HIS A 68 -16.437 4.395 -10.739 1.00 30.44 N ATOM 1044 CA HIS A 68 -15.418 4.639 -11.759 1.00 13.12 C ATOM 1045 C HIS A 68 -15.866 4.171 -13.140 1.00 53.02 C ATOM 1046 O HIS A 68 -16.399 3.071 -13.303 1.00 53.34 O ATOM 1047 CB HIS A 68 -14.086 4.002 -11.350 1.00 55.32 C ATOM 1048 CG HIS A 68 -13.502 4.638 -10.119 1.00 3.52 C ATOM 1049 ND1 HIS A 68 -13.096 5.951 -10.080 1.00 21.45 N ATOM 1050 CD2 HIS A 68 -13.310 4.154 -8.870 1.00 62.45 C ATOM 1051 CE1 HIS A 68 -12.686 6.249 -8.862 1.00 42.53 C ATOM 1052 NE2 HIS A 68 -12.806 5.177 -8.099 1.00 20.11 N ATOM 0 H HIS A 68 -16.074 3.971 -9.886 1.00 30.44 H new ATOM 0 HA HIS A 68 -15.271 5.717 -11.831 1.00 13.12 H new ATOM 0 HB2 HIS A 68 -14.235 2.937 -11.170 1.00 55.32 H new ATOM 0 HB3 HIS A 68 -13.376 4.090 -12.173 1.00 55.32 H new ATOM 0 HD2 HIS A 68 -13.515 3.147 -8.538 1.00 62.45 H new ATOM 0 HE1 HIS A 68 -12.314 7.211 -8.541 1.00 42.53 H new ATOM 0 HE2 HIS A 68 -12.566 5.118 -7.109 1.00 20.11 H new ATOM 1061 N HIS A 69 -15.638 5.037 -14.121 1.00 75.51 N ATOM 1062 CA HIS A 69 -16.221 4.893 -15.455 1.00 2.14 C ATOM 1063 C HIS A 69 -15.800 3.603 -16.143 1.00 1.14 C ATOM 1064 O HIS A 69 -16.622 2.962 -16.796 1.00 61.20 O ATOM 1065 CB HIS A 69 -15.851 6.086 -16.340 1.00 25.55 C ATOM 1066 CG HIS A 69 -16.272 7.408 -15.779 1.00 0.23 C ATOM 1067 ND1 HIS A 69 -17.574 7.859 -15.791 1.00 32.11 N ATOM 1068 CD2 HIS A 69 -15.549 8.376 -15.173 1.00 71.32 C ATOM 1069 CE1 HIS A 69 -17.630 9.046 -15.220 1.00 11.22 C ATOM 1070 NE2 HIS A 69 -16.415 9.380 -14.835 1.00 34.34 N ATOM 0 H HIS A 69 -15.044 5.860 -14.017 1.00 75.51 H new ATOM 0 HA HIS A 69 -17.301 4.858 -15.315 1.00 2.14 H new ATOM 0 HB2 HIS A 69 -14.772 6.093 -16.491 1.00 25.55 H new ATOM 0 HB3 HIS A 69 -16.309 5.955 -17.320 1.00 25.55 H new ATOM 0 HD2 HIS A 69 -14.485 8.360 -14.990 1.00 71.32 H new ATOM 0 HE1 HIS A 69 -18.520 9.643 -15.090 1.00 11.22 H new ATOM 0 HE2 HIS A 69 -16.161 10.247 -14.361 1.00 34.34 H new ATOM 1079 N HIS A 70 -14.529 3.235 -15.985 1.00 74.44 N ATOM 1080 CA HIS A 70 -13.957 2.078 -16.677 1.00 1.31 C ATOM 1081 C HIS A 70 -13.850 2.369 -18.174 1.00 12.32 C ATOM 1082 O HIS A 70 -12.874 3.032 -18.576 1.00 36.90 O ATOM 1083 CB HIS A 70 -14.787 0.808 -16.405 1.00 41.03 C ATOM 1084 CG HIS A 70 -14.328 -0.413 -17.150 1.00 54.44 C ATOM 1085 ND1 HIS A 70 -13.216 -1.141 -16.793 1.00 34.30 N ATOM 1086 CD2 HIS A 70 -14.853 -1.041 -18.228 1.00 23.44 C ATOM 1087 CE1 HIS A 70 -13.077 -2.159 -17.617 1.00 12.24 C ATOM 1088 NE2 HIS A 70 -14.057 -2.125 -18.497 1.00 63.13 N ATOM 1089 OXT HIS A 70 -14.743 1.956 -18.941 1.00 36.90 O ATOM 0 H HIS A 70 -13.871 3.725 -15.379 1.00 74.44 H new ATOM 0 HA HIS A 70 -12.954 1.895 -16.291 1.00 1.31 H new ATOM 0 HB2 HIS A 70 -14.762 0.596 -15.336 1.00 41.03 H new ATOM 0 HB3 HIS A 70 -15.826 1.007 -16.666 1.00 41.03 H new ATOM 0 HD2 HIS A 70 -15.735 -0.744 -18.775 1.00 23.44 H new ATOM 0 HE1 HIS A 70 -12.291 -2.898 -17.578 1.00 12.24 H new ATOM 0 HE2 HIS A 70 -14.200 -2.794 -19.253 1.00 63.13 H new TER 1098 HIS A 70