USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 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 44 SER OG : rot 180:sc= 0.883 USER MOD Set 1.2: A 57 THR OG1 : rot -61:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.884 K(o=-0.88,f=-4.9!) USER MOD Single : A 10 SER OG : rot -19:sc= 0.176 USER MOD Single : A 13 ASN : amide:sc= 0.364 K(o=0.36,f=-1.9!) USER MOD Single : A 16 SER OG : rot -90:sc= 0.671 USER MOD Single : A 20 THR OG1 : rot 176:sc= 1.43 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0268 (180deg=-0.2) USER MOD Single : A 35 GLN : amide:sc= -0.311 K(o=-0.31,f=-2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.29 K(o=-0.29,f=-3.6!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0892 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.5!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) 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 -145:sc= 1.7 USER MOD Single : A 61 SER OG : rot -170:sc= -1.48 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= 0.989 K(o=0.99,f=-3!) USER MOD Single : A 67 HIS : no HD1:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.768 K(o=0.77,f=-4.8!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.0898 K(o=0.09,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.598 13.418 -7.384 1.00 33.40 N ATOM 2 CA MET A 1 -13.142 14.227 -8.534 1.00 55.43 C ATOM 3 C MET A 1 -11.904 13.595 -9.154 1.00 62.41 C ATOM 4 O MET A 1 -10.784 13.810 -8.689 1.00 15.04 O ATOM 5 CB MET A 1 -12.833 15.662 -8.089 1.00 41.22 C ATOM 6 CG MET A 1 -12.348 16.563 -9.215 1.00 20.31 C ATOM 7 SD MET A 1 -11.978 18.239 -8.657 1.00 25.33 S ATOM 8 CE MET A 1 -11.355 18.964 -10.171 1.00 24.43 C ATOM 0 H1 MET A 1 -14.444 13.855 -6.965 1.00 33.40 H new ATOM 0 H2 MET A 1 -13.829 12.456 -7.706 1.00 33.40 H new ATOM 0 H3 MET A 1 -12.843 13.372 -6.670 1.00 33.40 H new ATOM 0 HA MET A 1 -13.938 14.257 -9.278 1.00 55.43 H new ATOM 0 HB2 MET A 1 -13.730 16.097 -7.649 1.00 41.22 H new ATOM 0 HB3 MET A 1 -12.075 15.634 -7.306 1.00 41.22 H new ATOM 0 HG2 MET A 1 -11.455 16.128 -9.663 1.00 20.31 H new ATOM 0 HG3 MET A 1 -13.108 16.604 -9.995 1.00 20.31 H new ATOM 0 HE1 MET A 1 -11.082 20.004 -9.991 1.00 24.43 H new ATOM 0 HE2 MET A 1 -10.477 18.411 -10.505 1.00 24.43 H new ATOM 0 HE3 MET A 1 -12.126 18.920 -10.940 1.00 24.43 H new ATOM 20 N ILE A 2 -12.112 12.795 -10.186 1.00 64.53 N ATOM 21 CA ILE A 2 -11.016 12.126 -10.862 1.00 32.11 C ATOM 22 C ILE A 2 -10.978 12.488 -12.341 1.00 5.21 C ATOM 23 O ILE A 2 -11.862 12.117 -13.115 1.00 23.51 O ATOM 24 CB ILE A 2 -11.085 10.590 -10.695 1.00 74.13 C ATOM 25 CG1 ILE A 2 -12.489 10.059 -11.016 1.00 22.15 C ATOM 26 CG2 ILE A 2 -10.672 10.197 -9.282 1.00 54.31 C ATOM 27 CD1 ILE A 2 -12.602 8.548 -10.945 1.00 13.12 C ATOM 0 H ILE A 2 -13.033 12.593 -10.574 1.00 64.53 H new ATOM 0 HA ILE A 2 -10.097 12.475 -10.391 1.00 32.11 H new ATOM 0 HB ILE A 2 -10.390 10.138 -11.403 1.00 74.13 H new ATOM 0 HG12 ILE A 2 -13.202 10.501 -10.320 1.00 22.15 H new ATOM 0 HG13 ILE A 2 -12.773 10.389 -12.015 1.00 22.15 H new ATOM 0 HG21 ILE A 2 -10.724 9.113 -9.176 1.00 54.31 H new ATOM 0 HG22 ILE A 2 -9.651 10.531 -9.095 1.00 54.31 H new ATOM 0 HG23 ILE A 2 -11.344 10.665 -8.563 1.00 54.31 H new ATOM 0 HD11 ILE A 2 -13.622 8.248 -11.184 1.00 13.12 H new ATOM 0 HD12 ILE A 2 -11.914 8.098 -11.661 1.00 13.12 H new ATOM 0 HD13 ILE A 2 -12.351 8.211 -9.939 1.00 13.12 H new ATOM 39 N GLY A 3 -9.972 13.258 -12.715 1.00 1.34 N ATOM 40 CA GLY A 3 -9.745 13.571 -14.109 1.00 42.32 C ATOM 41 C GLY A 3 -8.337 13.204 -14.508 1.00 44.22 C ATOM 42 O GLY A 3 -7.846 13.601 -15.567 1.00 25.32 O ATOM 0 H GLY A 3 -9.301 13.677 -12.071 1.00 1.34 H new ATOM 0 HA2 GLY A 3 -10.459 13.030 -14.731 1.00 42.32 H new ATOM 0 HA3 GLY A 3 -9.913 14.634 -14.282 1.00 42.32 H new ATOM 46 N ASP A 4 -7.691 12.442 -13.638 1.00 20.12 N ATOM 47 CA ASP A 4 -6.307 12.043 -13.826 1.00 41.40 C ATOM 48 C ASP A 4 -6.240 10.647 -14.417 1.00 12.04 C ATOM 49 O ASP A 4 -6.599 9.667 -13.761 1.00 62.41 O ATOM 50 CB ASP A 4 -5.551 12.069 -12.490 1.00 0.24 C ATOM 51 CG ASP A 4 -5.528 13.441 -11.847 1.00 64.21 C ATOM 52 OD1 ASP A 4 -6.575 13.877 -11.321 1.00 3.33 O ATOM 53 OD2 ASP A 4 -4.463 14.094 -11.862 1.00 22.45 O ATOM 0 H ASP A 4 -8.113 12.083 -12.782 1.00 20.12 H new ATOM 0 HA ASP A 4 -5.839 12.749 -14.512 1.00 41.40 H new ATOM 0 HB2 ASP A 4 -6.014 11.360 -11.803 1.00 0.24 H new ATOM 0 HB3 ASP A 4 -4.527 11.733 -12.652 1.00 0.24 H new ATOM 58 N TYR A 5 -5.802 10.560 -15.659 1.00 73.42 N ATOM 59 CA TYR A 5 -5.619 9.278 -16.322 1.00 50.01 C ATOM 60 C TYR A 5 -4.245 9.226 -16.971 1.00 22.31 C ATOM 61 O TYR A 5 -4.096 9.510 -18.161 1.00 22.01 O ATOM 62 CB TYR A 5 -6.711 9.038 -17.370 1.00 15.01 C ATOM 63 CG TYR A 5 -8.108 8.950 -16.792 1.00 54.14 C ATOM 64 CD1 TYR A 5 -8.616 7.742 -16.327 1.00 1.11 C ATOM 65 CD2 TYR A 5 -8.919 10.076 -16.708 1.00 10.20 C ATOM 66 CE1 TYR A 5 -9.889 7.659 -15.796 1.00 71.44 C ATOM 67 CE2 TYR A 5 -10.194 9.999 -16.180 1.00 33.20 C ATOM 68 CZ TYR A 5 -10.673 8.789 -15.726 1.00 62.22 C ATOM 69 OH TYR A 5 -11.941 8.710 -15.198 1.00 23.15 O ATOM 0 H TYR A 5 -5.564 11.368 -16.235 1.00 73.42 H new ATOM 0 HA TYR A 5 -5.694 8.489 -15.574 1.00 50.01 H new ATOM 0 HB2 TYR A 5 -6.682 9.845 -18.102 1.00 15.01 H new ATOM 0 HB3 TYR A 5 -6.491 8.114 -17.905 1.00 15.01 H new ATOM 0 HD1 TYR A 5 -8.005 6.853 -16.382 1.00 1.11 H new ATOM 0 HD2 TYR A 5 -8.547 11.026 -17.061 1.00 10.20 H new ATOM 0 HE1 TYR A 5 -10.267 6.713 -15.438 1.00 71.44 H new ATOM 0 HE2 TYR A 5 -10.812 10.883 -16.123 1.00 33.20 H new ATOM 0 HH TYR A 5 -12.360 9.595 -15.220 1.00 23.15 H new ATOM 79 N TYR A 6 -3.238 8.902 -16.172 1.00 62.24 N ATOM 80 CA TYR A 6 -1.867 8.848 -16.652 1.00 43.43 C ATOM 81 C TYR A 6 -1.038 7.942 -15.746 1.00 4.12 C ATOM 82 O TYR A 6 -1.357 7.785 -14.568 1.00 14.10 O ATOM 83 CB TYR A 6 -1.276 10.262 -16.685 1.00 34.04 C ATOM 84 CG TYR A 6 -0.088 10.420 -17.605 1.00 73.41 C ATOM 85 CD1 TYR A 6 -0.268 10.579 -18.973 1.00 71.03 C ATOM 86 CD2 TYR A 6 1.209 10.425 -17.111 1.00 74.21 C ATOM 87 CE1 TYR A 6 0.810 10.734 -19.822 1.00 13.22 C ATOM 88 CE2 TYR A 6 2.292 10.583 -17.952 1.00 22.20 C ATOM 89 CZ TYR A 6 2.087 10.736 -19.304 1.00 30.12 C ATOM 90 OH TYR A 6 3.164 10.898 -20.143 1.00 42.52 O ATOM 0 H TYR A 6 -3.347 8.672 -15.184 1.00 62.24 H new ATOM 0 HA TYR A 6 -1.851 8.438 -17.662 1.00 43.43 H new ATOM 0 HB2 TYR A 6 -2.054 10.961 -16.993 1.00 34.04 H new ATOM 0 HB3 TYR A 6 -0.978 10.542 -15.675 1.00 34.04 H new ATOM 0 HD1 TYR A 6 -1.268 10.581 -19.380 1.00 71.03 H new ATOM 0 HD2 TYR A 6 1.374 10.303 -16.051 1.00 74.21 H new ATOM 0 HE1 TYR A 6 0.653 10.853 -20.884 1.00 13.22 H new ATOM 0 HE2 TYR A 6 3.295 10.587 -17.551 1.00 22.20 H new ATOM 0 HH TYR A 6 3.992 10.877 -19.620 1.00 42.52 H new ATOM 100 N ILE A 7 0.012 7.349 -16.304 1.00 52.32 N ATOM 101 CA ILE A 7 0.882 6.419 -15.582 1.00 15.21 C ATOM 102 C ILE A 7 0.142 5.120 -15.249 1.00 5.24 C ATOM 103 O ILE A 7 0.315 4.111 -15.932 1.00 61.20 O ATOM 104 CB ILE A 7 1.471 7.033 -14.286 1.00 0.52 C ATOM 105 CG1 ILE A 7 2.180 8.356 -14.593 1.00 1.23 C ATOM 106 CG2 ILE A 7 2.439 6.056 -13.629 1.00 22.44 C ATOM 107 CD1 ILE A 7 2.708 9.070 -13.364 1.00 53.44 C ATOM 0 H ILE A 7 0.287 7.499 -17.275 1.00 52.32 H new ATOM 0 HA ILE A 7 1.715 6.200 -16.251 1.00 15.21 H new ATOM 0 HB ILE A 7 0.652 7.231 -13.595 1.00 0.52 H new ATOM 0 HG12 ILE A 7 3.009 8.163 -15.273 1.00 1.23 H new ATOM 0 HG13 ILE A 7 1.487 9.016 -15.115 1.00 1.23 H new ATOM 0 HG21 ILE A 7 2.844 6.501 -12.720 1.00 22.44 H new ATOM 0 HG22 ILE A 7 1.912 5.135 -13.378 1.00 22.44 H new ATOM 0 HG23 ILE A 7 3.253 5.832 -14.318 1.00 22.44 H new ATOM 0 HD11 ILE A 7 3.196 9.997 -13.664 1.00 53.44 H new ATOM 0 HD12 ILE A 7 1.881 9.296 -12.691 1.00 53.44 H new ATOM 0 HD13 ILE A 7 3.427 8.430 -12.852 1.00 53.44 H new ATOM 119 N ASN A 8 -0.697 5.156 -14.217 1.00 54.04 N ATOM 120 CA ASN A 8 -1.463 3.982 -13.814 1.00 52.14 C ATOM 121 C ASN A 8 -2.757 3.891 -14.614 1.00 24.22 C ATOM 122 O ASN A 8 -3.133 2.814 -15.072 1.00 4.42 O ATOM 123 CB ASN A 8 -1.779 4.004 -12.314 1.00 4.12 C ATOM 124 CG ASN A 8 -0.551 3.796 -11.439 1.00 12.44 C ATOM 125 OD1 ASN A 8 0.553 4.226 -11.773 1.00 5.21 O ATOM 126 ND2 ASN A 8 -0.733 3.124 -10.313 1.00 62.44 N ATOM 0 H ASN A 8 -0.863 5.985 -13.646 1.00 54.04 H new ATOM 0 HA ASN A 8 -0.850 3.104 -14.019 1.00 52.14 H new ATOM 0 HB2 ASN A 8 -2.240 4.959 -12.060 1.00 4.12 H new ATOM 0 HB3 ASN A 8 -2.511 3.227 -12.092 1.00 4.12 H new ATOM 0 HD21 ASN A 8 0.056 2.948 -9.691 1.00 62.44 H new ATOM 0 HD22 ASN A 8 -1.662 2.782 -10.068 1.00 62.44 H new ATOM 133 N ALA A 9 -3.411 5.041 -14.799 1.00 31.04 N ATOM 134 CA ALA A 9 -4.709 5.109 -15.472 1.00 50.12 C ATOM 135 C ALA A 9 -5.789 4.428 -14.628 1.00 40.32 C ATOM 136 O ALA A 9 -5.617 4.252 -13.426 1.00 52.54 O ATOM 137 CB ALA A 9 -4.634 4.500 -16.870 1.00 13.53 C ATOM 0 H ALA A 9 -3.057 5.946 -14.488 1.00 31.04 H new ATOM 0 HA ALA A 9 -4.980 6.159 -15.585 1.00 50.12 H new ATOM 0 HB1 ALA A 9 -5.612 4.564 -17.348 1.00 13.53 H new ATOM 0 HB2 ALA A 9 -3.903 5.046 -17.466 1.00 13.53 H new ATOM 0 HB3 ALA A 9 -4.334 3.455 -16.796 1.00 13.53 H new ATOM 143 N SER A 10 -6.895 4.047 -15.259 1.00 42.45 N ATOM 144 CA SER A 10 -8.043 3.503 -14.538 1.00 71.00 C ATOM 145 C SER A 10 -7.795 2.066 -14.070 1.00 23.13 C ATOM 146 O SER A 10 -8.541 1.540 -13.239 1.00 72.04 O ATOM 147 CB SER A 10 -9.297 3.565 -15.423 1.00 2.14 C ATOM 148 OG SER A 10 -10.447 3.109 -14.729 1.00 70.23 O ATOM 0 H SER A 10 -7.022 4.105 -16.269 1.00 42.45 H new ATOM 0 HA SER A 10 -8.196 4.115 -13.649 1.00 71.00 H new ATOM 0 HB2 SER A 10 -9.456 4.590 -15.759 1.00 2.14 H new ATOM 0 HB3 SER A 10 -9.144 2.957 -16.315 1.00 2.14 H new ATOM 0 HG SER A 10 -10.171 2.579 -13.952 1.00 70.23 H new ATOM 154 N ALA A 11 -6.747 1.438 -14.584 1.00 54.11 N ATOM 155 CA ALA A 11 -6.458 0.050 -14.250 1.00 33.41 C ATOM 156 C ALA A 11 -5.089 -0.074 -13.597 1.00 43.22 C ATOM 157 O ALA A 11 -4.259 0.815 -13.727 1.00 13.03 O ATOM 158 CB ALA A 11 -6.536 -0.825 -15.495 1.00 23.02 C ATOM 0 H ALA A 11 -6.085 1.865 -15.232 1.00 54.11 H new ATOM 0 HA ALA A 11 -7.208 -0.293 -13.538 1.00 33.41 H new ATOM 0 HB1 ALA A 11 -6.317 -1.859 -15.227 1.00 23.02 H new ATOM 0 HB2 ALA A 11 -7.538 -0.764 -15.920 1.00 23.02 H new ATOM 0 HB3 ALA A 11 -5.809 -0.479 -16.229 1.00 23.02 H new ATOM 164 N LEU A 12 -4.870 -1.185 -12.892 1.00 53.41 N ATOM 165 CA LEU A 12 -3.591 -1.453 -12.224 1.00 63.50 C ATOM 166 C LEU A 12 -3.222 -0.328 -11.260 1.00 0.40 C ATOM 167 O LEU A 12 -2.062 0.076 -11.168 1.00 22.44 O ATOM 168 CB LEU A 12 -2.476 -1.645 -13.257 1.00 65.24 C ATOM 169 CG LEU A 12 -2.677 -2.811 -14.227 1.00 64.41 C ATOM 170 CD1 LEU A 12 -1.517 -2.892 -15.206 1.00 55.35 C ATOM 171 CD2 LEU A 12 -2.825 -4.121 -13.470 1.00 61.30 C ATOM 0 H LEU A 12 -5.566 -1.920 -12.767 1.00 53.41 H new ATOM 0 HA LEU A 12 -3.704 -2.371 -11.648 1.00 63.50 H new ATOM 0 HB2 LEU A 12 -2.377 -0.726 -13.835 1.00 65.24 H new ATOM 0 HB3 LEU A 12 -1.534 -1.792 -12.728 1.00 65.24 H new ATOM 0 HG LEU A 12 -3.594 -2.635 -14.789 1.00 64.41 H new ATOM 0 HD11 LEU A 12 -1.675 -3.727 -15.889 1.00 55.35 H new ATOM 0 HD12 LEU A 12 -1.455 -1.964 -15.775 1.00 55.35 H new ATOM 0 HD13 LEU A 12 -0.588 -3.044 -14.657 1.00 55.35 H new ATOM 0 HD21 LEU A 12 -2.967 -4.937 -14.179 1.00 61.30 H new ATOM 0 HD22 LEU A 12 -1.926 -4.304 -12.881 1.00 61.30 H new ATOM 0 HD23 LEU A 12 -3.688 -4.062 -12.807 1.00 61.30 H new ATOM 183 N ASN A 13 -4.216 0.146 -10.519 1.00 11.52 N ATOM 184 CA ASN A 13 -4.022 1.262 -9.607 1.00 22.13 C ATOM 185 C ASN A 13 -3.125 0.874 -8.438 1.00 20.21 C ATOM 186 O ASN A 13 -2.119 1.527 -8.169 1.00 3.34 O ATOM 187 CB ASN A 13 -5.361 1.774 -9.067 1.00 1.21 C ATOM 188 CG ASN A 13 -6.283 2.306 -10.149 1.00 35.21 C ATOM 189 OD1 ASN A 13 -6.218 3.474 -10.511 1.00 14.35 O ATOM 190 ND2 ASN A 13 -7.177 1.455 -10.640 1.00 44.23 N ATOM 0 H ASN A 13 -5.165 -0.227 -10.533 1.00 11.52 H new ATOM 0 HA ASN A 13 -3.538 2.056 -10.176 1.00 22.13 H new ATOM 0 HB2 ASN A 13 -5.864 0.965 -8.537 1.00 1.21 H new ATOM 0 HB3 ASN A 13 -5.173 2.564 -8.339 1.00 1.21 H new ATOM 0 HD21 ASN A 13 -7.844 1.767 -11.346 1.00 44.23 H new ATOM 0 HD22 ASN A 13 -7.197 0.490 -10.311 1.00 44.23 H new ATOM 197 N VAL A 14 -3.478 -0.210 -7.760 1.00 52.51 N ATOM 198 CA VAL A 14 -2.779 -0.620 -6.549 1.00 3.21 C ATOM 199 C VAL A 14 -1.586 -1.515 -6.893 1.00 74.43 C ATOM 200 O VAL A 14 -1.400 -2.570 -6.296 1.00 21.22 O ATOM 201 CB VAL A 14 -3.725 -1.368 -5.576 1.00 31.24 C ATOM 202 CG1 VAL A 14 -3.113 -1.471 -4.185 1.00 11.53 C ATOM 203 CG2 VAL A 14 -5.079 -0.684 -5.507 1.00 24.15 C ATOM 0 H VAL A 14 -4.247 -0.823 -8.029 1.00 52.51 H new ATOM 0 HA VAL A 14 -2.421 0.284 -6.057 1.00 3.21 H new ATOM 0 HB VAL A 14 -3.866 -2.378 -5.962 1.00 31.24 H new ATOM 0 HG11 VAL A 14 -3.799 -2.001 -3.524 1.00 11.53 H new ATOM 0 HG12 VAL A 14 -2.171 -2.016 -4.242 1.00 11.53 H new ATOM 0 HG13 VAL A 14 -2.931 -0.471 -3.793 1.00 11.53 H new ATOM 0 HG21 VAL A 14 -5.726 -1.227 -4.818 1.00 24.15 H new ATOM 0 HG22 VAL A 14 -4.952 0.340 -5.155 1.00 24.15 H new ATOM 0 HG23 VAL A 14 -5.532 -0.673 -6.498 1.00 24.15 H new ATOM 213 N ARG A 15 -0.770 -1.083 -7.849 1.00 22.54 N ATOM 214 CA ARG A 15 0.381 -1.871 -8.294 1.00 10.23 C ATOM 215 C ARG A 15 1.536 -1.846 -7.290 1.00 64.05 C ATOM 216 O ARG A 15 2.703 -1.832 -7.680 1.00 72.23 O ATOM 217 CB ARG A 15 0.873 -1.387 -9.660 1.00 43.32 C ATOM 218 CG ARG A 15 0.436 -2.283 -10.809 1.00 2.15 C ATOM 219 CD ARG A 15 0.833 -3.732 -10.558 1.00 64.23 C ATOM 220 NE ARG A 15 0.522 -4.599 -11.692 1.00 44.13 N ATOM 221 CZ ARG A 15 0.152 -5.874 -11.576 1.00 2.13 C ATOM 222 NH1 ARG A 15 0.100 -6.451 -10.382 1.00 23.53 N ATOM 223 NH2 ARG A 15 -0.139 -6.577 -12.663 1.00 32.22 N ATOM 0 H ARG A 15 -0.882 -0.192 -8.332 1.00 22.54 H new ATOM 0 HA ARG A 15 0.038 -2.902 -8.374 1.00 10.23 H new ATOM 0 HB2 ARG A 15 0.502 -0.377 -9.835 1.00 43.32 H new ATOM 0 HB3 ARG A 15 1.961 -1.329 -9.647 1.00 43.32 H new ATOM 0 HG2 ARG A 15 -0.645 -2.216 -10.936 1.00 2.15 H new ATOM 0 HG3 ARG A 15 0.888 -1.935 -11.738 1.00 2.15 H new ATOM 0 HD2 ARG A 15 1.901 -3.782 -10.348 1.00 64.23 H new ATOM 0 HD3 ARG A 15 0.316 -4.099 -9.671 1.00 64.23 H new ATOM 0 HE ARG A 15 0.592 -4.204 -12.630 1.00 44.13 H new ATOM 0 HH11 ARG A 15 0.344 -5.918 -9.547 1.00 23.53 H new ATOM 0 HH12 ARG A 15 -0.184 -7.427 -10.299 1.00 23.53 H new ATOM 0 HH21 ARG A 15 -0.079 -6.141 -13.583 1.00 32.22 H new ATOM 0 HH22 ARG A 15 -0.423 -7.553 -12.578 1.00 32.22 H new ATOM 237 N SER A 16 1.188 -1.867 -6.005 1.00 1.30 N ATOM 238 CA SER A 16 2.151 -1.997 -4.915 1.00 64.52 C ATOM 239 C SER A 16 3.316 -1.014 -5.042 1.00 40.42 C ATOM 240 O SER A 16 4.437 -1.385 -5.410 1.00 44.13 O ATOM 241 CB SER A 16 2.658 -3.432 -4.844 1.00 63.43 C ATOM 242 OG SER A 16 1.583 -4.345 -4.970 1.00 53.14 O ATOM 0 H SER A 16 0.221 -1.794 -5.689 1.00 1.30 H new ATOM 0 HA SER A 16 1.636 -1.748 -3.987 1.00 64.52 H new ATOM 0 HB2 SER A 16 3.386 -3.606 -5.637 1.00 63.43 H new ATOM 0 HB3 SER A 16 3.173 -3.596 -3.897 1.00 63.43 H new ATOM 0 HG SER A 16 1.223 -4.552 -4.082 1.00 53.14 H new ATOM 248 N GLY A 17 3.033 0.245 -4.760 1.00 11.53 N ATOM 249 CA GLY A 17 4.057 1.262 -4.779 1.00 22.23 C ATOM 250 C GLY A 17 3.990 2.087 -6.034 1.00 25.22 C ATOM 251 O GLY A 17 2.903 2.428 -6.502 1.00 2.12 O ATOM 0 H GLY A 17 2.102 0.583 -4.516 1.00 11.53 H new ATOM 0 HA2 GLY A 17 3.944 1.910 -3.910 1.00 22.23 H new ATOM 0 HA3 GLY A 17 5.038 0.794 -4.702 1.00 22.23 H new ATOM 255 N GLU A 18 5.144 2.401 -6.586 1.00 52.13 N ATOM 256 CA GLU A 18 5.208 3.120 -7.843 1.00 20.13 C ATOM 257 C GLU A 18 5.736 2.174 -8.919 1.00 32.10 C ATOM 258 O GLU A 18 6.514 2.560 -9.794 1.00 35.43 O ATOM 259 CB GLU A 18 6.112 4.347 -7.697 1.00 61.15 C ATOM 260 CG GLU A 18 5.831 5.436 -8.720 1.00 32.14 C ATOM 261 CD GLU A 18 6.779 6.607 -8.596 1.00 64.24 C ATOM 262 OE1 GLU A 18 6.687 7.351 -7.598 1.00 54.24 O ATOM 263 OE2 GLU A 18 7.620 6.786 -9.501 1.00 1.35 O ATOM 0 H GLU A 18 6.052 2.169 -6.184 1.00 52.13 H new ATOM 0 HA GLU A 18 4.216 3.469 -8.130 1.00 20.13 H new ATOM 0 HB2 GLU A 18 5.990 4.761 -6.696 1.00 61.15 H new ATOM 0 HB3 GLU A 18 7.152 4.034 -7.788 1.00 61.15 H new ATOM 0 HG2 GLU A 18 5.907 5.016 -9.723 1.00 32.14 H new ATOM 0 HG3 GLU A 18 4.807 5.788 -8.599 1.00 32.14 H new ATOM 270 N GLY A 19 5.280 0.927 -8.844 1.00 42.24 N ATOM 271 CA GLY A 19 5.793 -0.114 -9.714 1.00 74.51 C ATOM 272 C GLY A 19 6.949 -0.843 -9.066 1.00 11.42 C ATOM 273 O GLY A 19 7.758 -1.482 -9.742 1.00 34.31 O ATOM 0 H GLY A 19 4.559 0.619 -8.191 1.00 42.24 H new ATOM 0 HA2 GLY A 19 4.998 -0.822 -9.948 1.00 74.51 H new ATOM 0 HA3 GLY A 19 6.118 0.324 -10.658 1.00 74.51 H new ATOM 277 N THR A 20 7.012 -0.750 -7.746 1.00 61.31 N ATOM 278 CA THR A 20 8.124 -1.284 -6.979 1.00 61.25 C ATOM 279 C THR A 20 7.905 -2.756 -6.624 1.00 53.04 C ATOM 280 O THR A 20 8.670 -3.627 -7.037 1.00 61.42 O ATOM 281 CB THR A 20 8.303 -0.467 -5.688 1.00 2.03 C ATOM 282 OG1 THR A 20 8.115 0.925 -5.985 1.00 13.41 O ATOM 283 CG2 THR A 20 9.686 -0.681 -5.093 1.00 20.53 C ATOM 0 H THR A 20 6.293 -0.302 -7.178 1.00 61.31 H new ATOM 0 HA THR A 20 9.021 -1.212 -7.594 1.00 61.25 H new ATOM 0 HB THR A 20 7.565 -0.799 -4.958 1.00 2.03 H new ATOM 0 HG1 THR A 20 8.162 1.446 -5.156 1.00 13.41 H new ATOM 0 HG21 THR A 20 9.785 -0.092 -4.181 1.00 20.53 H new ATOM 0 HG22 THR A 20 9.822 -1.737 -4.859 1.00 20.53 H new ATOM 0 HG23 THR A 20 10.444 -0.368 -5.811 1.00 20.53 H new ATOM 291 N ASN A 21 6.844 -3.025 -5.874 1.00 25.33 N ATOM 292 CA ASN A 21 6.529 -4.383 -5.437 1.00 64.55 C ATOM 293 C ASN A 21 5.301 -4.885 -6.179 1.00 41.42 C ATOM 294 O ASN A 21 4.517 -5.668 -5.644 1.00 22.12 O ATOM 295 CB ASN A 21 6.269 -4.409 -3.927 1.00 64.51 C ATOM 296 CG ASN A 21 7.460 -3.943 -3.109 1.00 21.01 C ATOM 297 OD1 ASN A 21 7.613 -2.753 -2.844 1.00 52.34 O ATOM 298 ND2 ASN A 21 8.309 -4.872 -2.696 1.00 62.24 N ATOM 0 H ASN A 21 6.183 -2.318 -5.553 1.00 25.33 H new ATOM 0 HA ASN A 21 7.377 -5.031 -5.658 1.00 64.55 H new ATOM 0 HB2 ASN A 21 5.411 -3.776 -3.701 1.00 64.51 H new ATOM 0 HB3 ASN A 21 6.005 -5.423 -3.627 1.00 64.51 H new ATOM 0 HD21 ASN A 21 9.122 -4.609 -2.139 1.00 62.24 H new ATOM 0 HD22 ASN A 21 8.150 -5.851 -2.935 1.00 62.24 H new ATOM 305 N TYR A 22 5.195 -4.464 -7.439 1.00 35.11 N ATOM 306 CA TYR A 22 3.985 -4.616 -8.256 1.00 31.53 C ATOM 307 C TYR A 22 3.428 -6.044 -8.270 1.00 74.20 C ATOM 308 O TYR A 22 2.252 -6.245 -8.558 1.00 4.45 O ATOM 309 CB TYR A 22 4.276 -4.169 -9.697 1.00 4.11 C ATOM 310 CG TYR A 22 5.199 -5.098 -10.456 1.00 41.51 C ATOM 311 CD1 TYR A 22 6.574 -5.076 -10.249 1.00 5.20 C ATOM 312 CD2 TYR A 22 4.690 -6.003 -11.378 1.00 30.24 C ATOM 313 CE1 TYR A 22 7.413 -5.928 -10.941 1.00 64.42 C ATOM 314 CE2 TYR A 22 5.521 -6.858 -12.073 1.00 32.03 C ATOM 315 CZ TYR A 22 6.881 -6.816 -11.850 1.00 2.52 C ATOM 316 OH TYR A 22 7.710 -7.669 -12.543 1.00 20.11 O ATOM 0 H TYR A 22 5.958 -4.000 -7.931 1.00 35.11 H new ATOM 0 HA TYR A 22 3.222 -3.986 -7.798 1.00 31.53 H new ATOM 0 HB2 TYR A 22 3.334 -4.088 -10.239 1.00 4.11 H new ATOM 0 HB3 TYR A 22 4.718 -3.173 -9.675 1.00 4.11 H new ATOM 0 HD1 TYR A 22 6.993 -4.382 -9.536 1.00 5.20 H new ATOM 0 HD2 TYR A 22 3.625 -6.038 -11.554 1.00 30.24 H new ATOM 0 HE1 TYR A 22 8.479 -5.898 -10.770 1.00 64.42 H new ATOM 0 HE2 TYR A 22 5.109 -7.556 -12.787 1.00 32.03 H new ATOM 0 HH TYR A 22 7.175 -8.230 -13.142 1.00 20.11 H new ATOM 326 N ARG A 23 4.269 -7.026 -7.967 1.00 42.14 N ATOM 327 CA ARG A 23 3.857 -8.428 -7.989 1.00 21.43 C ATOM 328 C ARG A 23 2.683 -8.705 -7.042 1.00 43.12 C ATOM 329 O ARG A 23 1.813 -9.521 -7.351 1.00 73.43 O ATOM 330 CB ARG A 23 5.030 -9.333 -7.605 1.00 4.55 C ATOM 331 CG ARG A 23 4.643 -10.798 -7.487 1.00 65.01 C ATOM 332 CD ARG A 23 5.723 -11.610 -6.796 1.00 71.20 C ATOM 333 NE ARG A 23 5.229 -12.924 -6.395 1.00 75.22 N ATOM 334 CZ ARG A 23 5.192 -13.352 -5.131 1.00 1.11 C ATOM 335 NH1 ARG A 23 5.682 -12.596 -4.152 1.00 73.52 N ATOM 336 NH2 ARG A 23 4.662 -14.534 -4.852 1.00 21.33 N ATOM 0 H ARG A 23 5.243 -6.879 -7.702 1.00 42.14 H new ATOM 0 HA ARG A 23 3.531 -8.644 -9.007 1.00 21.43 H new ATOM 0 HB2 ARG A 23 5.818 -9.231 -8.351 1.00 4.55 H new ATOM 0 HB3 ARG A 23 5.445 -8.996 -6.655 1.00 4.55 H new ATOM 0 HG2 ARG A 23 3.710 -10.884 -6.930 1.00 65.01 H new ATOM 0 HG3 ARG A 23 4.460 -11.207 -8.481 1.00 65.01 H new ATOM 0 HD2 ARG A 23 6.575 -11.729 -7.465 1.00 71.20 H new ATOM 0 HD3 ARG A 23 6.080 -11.071 -5.919 1.00 71.20 H new ATOM 0 HE ARG A 23 4.892 -13.553 -7.124 1.00 75.22 H new ATOM 0 HH11 ARG A 23 6.088 -11.685 -4.366 1.00 73.52 H new ATOM 0 HH12 ARG A 23 5.651 -12.927 -3.188 1.00 73.52 H new ATOM 0 HH21 ARG A 23 4.284 -15.113 -5.602 1.00 21.33 H new ATOM 0 HH22 ARG A 23 4.632 -14.865 -3.888 1.00 21.33 H new ATOM 350 N ILE A 24 2.655 -8.022 -5.901 1.00 22.30 N ATOM 351 CA ILE A 24 1.702 -8.347 -4.840 1.00 32.10 C ATOM 352 C ILE A 24 0.272 -7.966 -5.222 1.00 35.14 C ATOM 353 O ILE A 24 -0.625 -8.813 -5.240 1.00 24.54 O ATOM 354 CB ILE A 24 2.073 -7.632 -3.522 1.00 23.12 C ATOM 355 CG1 ILE A 24 3.545 -7.873 -3.182 1.00 53.32 C ATOM 356 CG2 ILE A 24 1.179 -8.116 -2.385 1.00 20.35 C ATOM 357 CD1 ILE A 24 4.029 -7.058 -2.003 1.00 61.22 C ATOM 0 H ILE A 24 3.278 -7.243 -5.686 1.00 22.30 H new ATOM 0 HA ILE A 24 1.753 -9.427 -4.699 1.00 32.10 H new ATOM 0 HB ILE A 24 1.918 -6.561 -3.653 1.00 23.12 H new ATOM 0 HG12 ILE A 24 3.692 -8.932 -2.968 1.00 53.32 H new ATOM 0 HG13 ILE A 24 4.155 -7.636 -4.053 1.00 53.32 H new ATOM 0 HG21 ILE A 24 1.453 -7.603 -1.463 1.00 20.35 H new ATOM 0 HG22 ILE A 24 0.138 -7.901 -2.624 1.00 20.35 H new ATOM 0 HG23 ILE A 24 1.307 -9.191 -2.254 1.00 20.35 H new ATOM 0 HD11 ILE A 24 5.080 -7.277 -1.816 1.00 61.22 H new ATOM 0 HD12 ILE A 24 3.913 -5.997 -2.222 1.00 61.22 H new ATOM 0 HD13 ILE A 24 3.443 -7.312 -1.120 1.00 61.22 H new ATOM 369 N ILE A 25 0.067 -6.698 -5.543 1.00 2.24 N ATOM 370 CA ILE A 25 -1.260 -6.194 -5.874 1.00 0.22 C ATOM 371 C ILE A 25 -1.201 -5.452 -7.207 1.00 41.44 C ATOM 372 O ILE A 25 -0.127 -5.003 -7.616 1.00 61.32 O ATOM 373 CB ILE A 25 -1.792 -5.237 -4.780 1.00 13.14 C ATOM 374 CG1 ILE A 25 -1.313 -5.665 -3.395 1.00 40.41 C ATOM 375 CG2 ILE A 25 -3.310 -5.183 -4.827 1.00 42.31 C ATOM 376 CD1 ILE A 25 -1.318 -4.536 -2.386 1.00 60.20 C ATOM 0 H ILE A 25 0.805 -5.995 -5.582 1.00 2.24 H new ATOM 0 HA ILE A 25 -1.939 -7.044 -5.942 1.00 0.22 H new ATOM 0 HB ILE A 25 -1.398 -4.240 -4.976 1.00 13.14 H new ATOM 0 HG12 ILE A 25 -1.949 -6.472 -3.031 1.00 40.41 H new ATOM 0 HG13 ILE A 25 -0.303 -6.067 -3.475 1.00 40.41 H new ATOM 0 HG21 ILE A 25 -3.674 -4.507 -4.053 1.00 42.31 H new ATOM 0 HG22 ILE A 25 -3.631 -4.823 -5.804 1.00 42.31 H new ATOM 0 HG23 ILE A 25 -3.715 -6.181 -4.657 1.00 42.31 H new ATOM 0 HD11 ILE A 25 -0.967 -4.907 -1.423 1.00 60.20 H new ATOM 0 HD12 ILE A 25 -0.659 -3.738 -2.729 1.00 60.20 H new ATOM 0 HD13 ILE A 25 -2.331 -4.149 -2.278 1.00 60.20 H new ATOM 388 N GLY A 26 -2.332 -5.322 -7.890 1.00 12.12 N ATOM 389 CA GLY A 26 -2.320 -4.664 -9.176 1.00 45.11 C ATOM 390 C GLY A 26 -3.562 -3.846 -9.471 1.00 20.30 C ATOM 391 O GLY A 26 -3.547 -2.625 -9.350 1.00 0.31 O ATOM 0 H GLY A 26 -3.244 -5.656 -7.579 1.00 12.12 H new ATOM 0 HA2 GLY A 26 -1.449 -4.011 -9.229 1.00 45.11 H new ATOM 0 HA3 GLY A 26 -2.202 -5.417 -9.955 1.00 45.11 H new ATOM 395 N ALA A 27 -4.638 -4.520 -9.846 1.00 13.14 N ATOM 396 CA ALA A 27 -5.820 -3.861 -10.392 1.00 3.14 C ATOM 397 C ALA A 27 -6.728 -3.283 -9.305 1.00 64.04 C ATOM 398 O ALA A 27 -6.266 -2.907 -8.233 1.00 54.40 O ATOM 399 CB ALA A 27 -6.586 -4.837 -11.269 1.00 61.55 C ATOM 0 H ALA A 27 -4.719 -5.535 -9.782 1.00 13.14 H new ATOM 0 HA ALA A 27 -5.480 -3.016 -10.991 1.00 3.14 H new ATOM 0 HB1 ALA A 27 -7.469 -4.344 -11.677 1.00 61.55 H new ATOM 0 HB2 ALA A 27 -5.947 -5.171 -12.086 1.00 61.55 H new ATOM 0 HB3 ALA A 27 -6.893 -5.697 -10.674 1.00 61.55 H new ATOM 405 N LEU A 28 -8.015 -3.178 -9.633 1.00 75.45 N ATOM 406 CA LEU A 28 -9.038 -2.623 -8.746 1.00 53.13 C ATOM 407 C LEU A 28 -9.681 -3.727 -7.901 1.00 71.12 C ATOM 408 O LEU A 28 -10.649 -4.356 -8.330 1.00 12.40 O ATOM 409 CB LEU A 28 -10.109 -1.900 -9.573 1.00 51.54 C ATOM 410 CG LEU A 28 -11.276 -1.303 -8.777 1.00 12.31 C ATOM 411 CD1 LEU A 28 -10.804 -0.159 -7.895 1.00 32.33 C ATOM 412 CD2 LEU A 28 -12.374 -0.835 -9.721 1.00 33.11 C ATOM 0 H LEU A 28 -8.382 -3.480 -10.535 1.00 75.45 H new ATOM 0 HA LEU A 28 -8.563 -1.910 -8.073 1.00 53.13 H new ATOM 0 HB2 LEU A 28 -9.628 -1.098 -10.134 1.00 51.54 H new ATOM 0 HB3 LEU A 28 -10.513 -2.602 -10.303 1.00 51.54 H new ATOM 0 HG LEU A 28 -11.681 -2.080 -8.129 1.00 12.31 H new ATOM 0 HD11 LEU A 28 -11.651 0.247 -7.341 1.00 32.33 H new ATOM 0 HD12 LEU A 28 -10.054 -0.526 -7.194 1.00 32.33 H new ATOM 0 HD13 LEU A 28 -10.368 0.623 -8.516 1.00 32.33 H new ATOM 0 HD21 LEU A 28 -13.196 -0.414 -9.142 1.00 33.11 H new ATOM 0 HD22 LEU A 28 -11.976 -0.075 -10.393 1.00 33.11 H new ATOM 0 HD23 LEU A 28 -12.737 -1.681 -10.304 1.00 33.11 H new ATOM 424 N PRO A 29 -9.126 -4.016 -6.709 1.00 51.54 N ATOM 425 CA PRO A 29 -9.574 -5.133 -5.884 1.00 72.31 C ATOM 426 C PRO A 29 -10.758 -4.764 -4.990 1.00 55.13 C ATOM 427 O PRO A 29 -11.336 -5.628 -4.336 1.00 20.22 O ATOM 428 CB PRO A 29 -8.335 -5.432 -5.046 1.00 10.52 C ATOM 429 CG PRO A 29 -7.698 -4.099 -4.836 1.00 2.33 C ATOM 430 CD PRO A 29 -8.045 -3.260 -6.044 1.00 32.04 C ATOM 0 HA PRO A 29 -9.932 -5.976 -6.475 1.00 72.31 H new ATOM 0 HB2 PRO A 29 -8.600 -5.899 -4.098 1.00 10.52 H new ATOM 0 HB3 PRO A 29 -7.662 -6.117 -5.562 1.00 10.52 H new ATOM 0 HG2 PRO A 29 -8.066 -3.633 -3.922 1.00 2.33 H new ATOM 0 HG3 PRO A 29 -6.618 -4.198 -4.730 1.00 2.33 H new ATOM 0 HD2 PRO A 29 -8.376 -2.262 -5.755 1.00 32.04 H new ATOM 0 HD3 PRO A 29 -7.185 -3.133 -6.701 1.00 32.04 H new ATOM 438 N GLN A 30 -11.104 -3.471 -4.980 1.00 2.24 N ATOM 439 CA GLN A 30 -12.183 -2.941 -4.141 1.00 61.24 C ATOM 440 C GLN A 30 -11.804 -3.026 -2.653 1.00 71.31 C ATOM 441 O GLN A 30 -10.837 -3.698 -2.282 1.00 65.10 O ATOM 442 CB GLN A 30 -13.503 -3.682 -4.426 1.00 41.40 C ATOM 443 CG GLN A 30 -14.712 -3.120 -3.694 1.00 11.41 C ATOM 444 CD GLN A 30 -16.002 -3.834 -4.045 1.00 31.10 C ATOM 445 OE1 GLN A 30 -16.174 -4.322 -5.161 1.00 64.34 O ATOM 446 NE2 GLN A 30 -16.920 -3.899 -3.094 1.00 63.23 N ATOM 0 H GLN A 30 -10.644 -2.764 -5.553 1.00 2.24 H new ATOM 0 HA GLN A 30 -12.330 -1.889 -4.387 1.00 61.24 H new ATOM 0 HB2 GLN A 30 -13.697 -3.653 -5.498 1.00 41.40 H new ATOM 0 HB3 GLN A 30 -13.383 -4.730 -4.152 1.00 41.40 H new ATOM 0 HG2 GLN A 30 -14.545 -3.191 -2.619 1.00 11.41 H new ATOM 0 HG3 GLN A 30 -14.813 -2.061 -3.931 1.00 11.41 H new ATOM 0 HE21 GLN A 30 -16.739 -3.482 -2.181 1.00 63.23 H new ATOM 0 HE22 GLN A 30 -17.809 -4.367 -3.274 1.00 63.23 H new ATOM 455 N GLY A 31 -12.553 -2.328 -1.806 1.00 43.43 N ATOM 456 CA GLY A 31 -12.289 -2.350 -0.380 1.00 3.32 C ATOM 457 C GLY A 31 -12.740 -3.642 0.278 1.00 72.32 C ATOM 458 O GLY A 31 -13.692 -3.646 1.062 1.00 11.53 O ATOM 0 H GLY A 31 -13.342 -1.745 -2.084 1.00 43.43 H new ATOM 0 HA2 GLY A 31 -11.221 -2.214 -0.210 1.00 3.32 H new ATOM 0 HA3 GLY A 31 -12.797 -1.509 0.093 1.00 3.32 H new ATOM 462 N GLN A 32 -12.068 -4.741 -0.062 1.00 53.03 N ATOM 463 CA GLN A 32 -12.335 -6.043 0.547 1.00 13.04 C ATOM 464 C GLN A 32 -12.135 -5.964 2.058 1.00 2.44 C ATOM 465 O GLN A 32 -13.084 -6.064 2.836 1.00 11.45 O ATOM 466 CB GLN A 32 -11.382 -7.095 -0.030 1.00 70.15 C ATOM 467 CG GLN A 32 -11.458 -7.257 -1.541 1.00 3.33 C ATOM 468 CD GLN A 32 -12.675 -8.038 -1.995 1.00 12.40 C ATOM 469 OE1 GLN A 32 -12.638 -9.266 -2.071 1.00 61.33 O ATOM 470 NE2 GLN A 32 -13.750 -7.337 -2.323 1.00 25.21 N ATOM 0 H GLN A 32 -11.327 -4.754 -0.763 1.00 53.03 H new ATOM 0 HA GLN A 32 -13.365 -6.325 0.330 1.00 13.04 H new ATOM 0 HB2 GLN A 32 -10.361 -6.830 0.243 1.00 70.15 H new ATOM 0 HB3 GLN A 32 -11.597 -8.056 0.437 1.00 70.15 H new ATOM 0 HG2 GLN A 32 -11.472 -6.271 -2.006 1.00 3.33 H new ATOM 0 HG3 GLN A 32 -10.558 -7.762 -1.892 1.00 3.33 H new ATOM 0 HE21 GLN A 32 -13.739 -6.320 -2.245 1.00 25.21 H new ATOM 0 HE22 GLN A 32 -14.589 -7.814 -2.653 1.00 25.21 H new ATOM 479 N LYS A 33 -10.884 -5.773 2.444 1.00 72.02 N ATOM 480 CA LYS A 33 -10.506 -5.608 3.839 1.00 23.33 C ATOM 481 C LYS A 33 -9.438 -4.527 3.933 1.00 52.02 C ATOM 482 O LYS A 33 -9.417 -3.730 4.868 1.00 33.30 O ATOM 483 CB LYS A 33 -9.998 -6.944 4.412 1.00 15.03 C ATOM 484 CG LYS A 33 -9.526 -6.871 5.860 1.00 44.43 C ATOM 485 CD LYS A 33 -8.033 -6.585 5.955 1.00 35.31 C ATOM 486 CE LYS A 33 -7.581 -6.430 7.400 1.00 11.35 C ATOM 487 NZ LYS A 33 -8.210 -5.257 8.061 1.00 41.45 N ATOM 0 H LYS A 33 -10.098 -5.728 1.796 1.00 72.02 H new ATOM 0 HA LYS A 33 -11.371 -5.304 4.428 1.00 23.33 H new ATOM 0 HB2 LYS A 33 -10.796 -7.683 4.340 1.00 15.03 H new ATOM 0 HB3 LYS A 33 -9.176 -7.302 3.792 1.00 15.03 H new ATOM 0 HG2 LYS A 33 -10.079 -6.091 6.384 1.00 44.43 H new ATOM 0 HG3 LYS A 33 -9.748 -7.812 6.363 1.00 44.43 H new ATOM 0 HD2 LYS A 33 -7.476 -7.396 5.484 1.00 35.31 H new ATOM 0 HD3 LYS A 33 -7.801 -5.675 5.401 1.00 35.31 H new ATOM 0 HE2 LYS A 33 -7.829 -7.334 7.956 1.00 11.35 H new ATOM 0 HE3 LYS A 33 -6.497 -6.324 7.431 1.00 11.35 H new ATOM 0 HZ1 LYS A 33 -7.708 -5.047 8.947 1.00 41.45 H new ATOM 0 HZ2 LYS A 33 -8.157 -4.433 7.429 1.00 41.45 H new ATOM 0 HZ3 LYS A 33 -9.206 -5.469 8.270 1.00 41.45 H new ATOM 501 N VAL A 34 -8.565 -4.504 2.936 1.00 12.45 N ATOM 502 CA VAL A 34 -7.515 -3.501 2.843 1.00 1.03 C ATOM 503 C VAL A 34 -8.082 -2.176 2.317 1.00 72.40 C ATOM 504 O VAL A 34 -8.587 -2.101 1.197 1.00 74.33 O ATOM 505 CB VAL A 34 -6.366 -4.011 1.933 1.00 75.20 C ATOM 506 CG1 VAL A 34 -6.902 -4.477 0.588 1.00 45.41 C ATOM 507 CG2 VAL A 34 -5.291 -2.953 1.738 1.00 40.40 C ATOM 0 H VAL A 34 -8.565 -5.178 2.171 1.00 12.45 H new ATOM 0 HA VAL A 34 -7.111 -3.323 3.840 1.00 1.03 H new ATOM 0 HB VAL A 34 -5.909 -4.862 2.438 1.00 75.20 H new ATOM 0 HG11 VAL A 34 -6.076 -4.829 -0.030 1.00 45.41 H new ATOM 0 HG12 VAL A 34 -7.613 -5.289 0.741 1.00 45.41 H new ATOM 0 HG13 VAL A 34 -7.401 -3.647 0.088 1.00 45.41 H new ATOM 0 HG21 VAL A 34 -4.504 -3.348 1.095 1.00 40.40 H new ATOM 0 HG22 VAL A 34 -5.730 -2.070 1.274 1.00 40.40 H new ATOM 0 HG23 VAL A 34 -4.868 -2.682 2.705 1.00 40.40 H new ATOM 517 N GLN A 35 -8.035 -1.143 3.149 1.00 12.33 N ATOM 518 CA GLN A 35 -8.548 0.169 2.764 1.00 10.22 C ATOM 519 C GLN A 35 -7.458 1.227 2.886 1.00 24.34 C ATOM 520 O GLN A 35 -7.734 2.426 2.831 1.00 1.04 O ATOM 521 CB GLN A 35 -9.753 0.554 3.642 1.00 31.25 C ATOM 522 CG GLN A 35 -9.395 1.146 5.008 1.00 40.33 C ATOM 523 CD GLN A 35 -8.669 0.178 5.919 1.00 42.33 C ATOM 524 OE1 GLN A 35 -8.893 -1.030 5.867 1.00 55.01 O ATOM 525 NE2 GLN A 35 -7.780 0.702 6.749 1.00 4.32 N ATOM 0 H GLN A 35 -7.649 -1.186 4.092 1.00 12.33 H new ATOM 0 HA GLN A 35 -8.871 0.117 1.724 1.00 10.22 H new ATOM 0 HB2 GLN A 35 -10.364 1.275 3.099 1.00 31.25 H new ATOM 0 HB3 GLN A 35 -10.369 -0.332 3.797 1.00 31.25 H new ATOM 0 HG2 GLN A 35 -8.772 2.028 4.860 1.00 40.33 H new ATOM 0 HG3 GLN A 35 -10.308 1.479 5.501 1.00 40.33 H new ATOM 0 HE21 GLN A 35 -7.625 1.710 6.760 1.00 4.32 H new ATOM 0 HE22 GLN A 35 -7.250 0.098 7.377 1.00 4.32 H new ATOM 534 N VAL A 36 -6.214 0.762 3.024 1.00 54.05 N ATOM 535 CA VAL A 36 -5.073 1.629 3.326 1.00 43.21 C ATOM 536 C VAL A 36 -5.131 2.074 4.783 1.00 22.34 C ATOM 537 O VAL A 36 -6.085 2.728 5.207 1.00 2.31 O ATOM 538 CB VAL A 36 -4.997 2.870 2.402 1.00 73.23 C ATOM 539 CG1 VAL A 36 -3.817 3.753 2.777 1.00 54.10 C ATOM 540 CG2 VAL A 36 -4.908 2.451 0.941 1.00 42.11 C ATOM 0 H VAL A 36 -5.970 -0.224 2.930 1.00 54.05 H new ATOM 0 HA VAL A 36 -4.172 1.042 3.147 1.00 43.21 H new ATOM 0 HB VAL A 36 -5.912 3.447 2.538 1.00 73.23 H new ATOM 0 HG11 VAL A 36 -3.785 4.618 2.114 1.00 54.10 H new ATOM 0 HG12 VAL A 36 -3.928 4.090 3.808 1.00 54.10 H new ATOM 0 HG13 VAL A 36 -2.892 3.185 2.678 1.00 54.10 H new ATOM 0 HG21 VAL A 36 -4.856 3.339 0.310 1.00 42.11 H new ATOM 0 HG22 VAL A 36 -4.014 1.845 0.790 1.00 42.11 H new ATOM 0 HG23 VAL A 36 -5.790 1.869 0.675 1.00 42.11 H new ATOM 550 N ILE A 37 -4.111 1.703 5.551 1.00 32.41 N ATOM 551 CA ILE A 37 -4.074 2.026 6.972 1.00 73.14 C ATOM 552 C ILE A 37 -3.857 3.520 7.164 1.00 20.20 C ATOM 553 O ILE A 37 -4.600 4.180 7.893 1.00 25.30 O ATOM 554 CB ILE A 37 -2.959 1.248 7.707 1.00 2.13 C ATOM 555 CG1 ILE A 37 -3.073 -0.249 7.420 1.00 42.23 C ATOM 556 CG2 ILE A 37 -3.034 1.500 9.204 1.00 52.30 C ATOM 557 CD1 ILE A 37 -1.744 -0.915 7.145 1.00 33.13 C ATOM 0 H ILE A 37 -3.302 1.180 5.214 1.00 32.41 H new ATOM 0 HA ILE A 37 -5.033 1.732 7.399 1.00 73.14 H new ATOM 0 HB ILE A 37 -1.995 1.602 7.340 1.00 2.13 H new ATOM 0 HG12 ILE A 37 -3.546 -0.739 8.271 1.00 42.23 H new ATOM 0 HG13 ILE A 37 -3.729 -0.397 6.562 1.00 42.23 H new ATOM 0 HG21 ILE A 37 -2.242 0.945 9.707 1.00 52.30 H new ATOM 0 HG22 ILE A 37 -2.911 2.565 9.400 1.00 52.30 H new ATOM 0 HG23 ILE A 37 -4.003 1.171 9.580 1.00 52.30 H new ATOM 0 HD11 ILE A 37 -1.902 -1.976 6.950 1.00 33.13 H new ATOM 0 HD12 ILE A 37 -1.278 -0.452 6.275 1.00 33.13 H new ATOM 0 HD13 ILE A 37 -1.093 -0.799 8.011 1.00 33.13 H new ATOM 569 N SER A 38 -2.838 4.040 6.499 1.00 71.53 N ATOM 570 CA SER A 38 -2.534 5.459 6.538 1.00 4.42 C ATOM 571 C SER A 38 -1.506 5.808 5.481 1.00 22.23 C ATOM 572 O SER A 38 -0.677 4.975 5.096 1.00 4.11 O ATOM 573 CB SER A 38 -2.034 5.870 7.927 1.00 43.42 C ATOM 574 OG SER A 38 -1.025 4.987 8.397 1.00 10.33 O ATOM 0 H SER A 38 -2.202 3.492 5.920 1.00 71.53 H new ATOM 0 HA SER A 38 -3.450 6.011 6.328 1.00 4.42 H new ATOM 0 HB2 SER A 38 -1.641 6.886 7.888 1.00 43.42 H new ATOM 0 HB3 SER A 38 -2.868 5.878 8.628 1.00 43.42 H new ATOM 0 HG SER A 38 -0.725 5.276 9.284 1.00 10.33 H new ATOM 580 N GLU A 39 -1.578 7.032 5.003 1.00 4.45 N ATOM 581 CA GLU A 39 -0.669 7.506 3.987 1.00 4.12 C ATOM 582 C GLU A 39 0.552 8.143 4.631 1.00 62.32 C ATOM 583 O GLU A 39 0.434 9.042 5.463 1.00 64.00 O ATOM 584 CB GLU A 39 -1.361 8.509 3.066 1.00 63.40 C ATOM 585 CG GLU A 39 -2.665 8.006 2.465 1.00 65.35 C ATOM 586 CD GLU A 39 -3.882 8.386 3.288 1.00 21.22 C ATOM 587 OE1 GLU A 39 -4.128 7.752 4.333 1.00 31.22 O ATOM 588 OE2 GLU A 39 -4.595 9.328 2.883 1.00 24.45 O ATOM 0 H GLU A 39 -2.265 7.722 5.307 1.00 4.45 H new ATOM 0 HA GLU A 39 -0.350 6.653 3.388 1.00 4.12 H new ATOM 0 HB2 GLU A 39 -1.561 9.422 3.626 1.00 63.40 H new ATOM 0 HB3 GLU A 39 -0.679 8.773 2.258 1.00 63.40 H new ATOM 0 HG2 GLU A 39 -2.774 8.409 1.458 1.00 65.35 H new ATOM 0 HG3 GLU A 39 -2.621 6.921 2.371 1.00 65.35 H new ATOM 595 N ASN A 40 1.719 7.668 4.246 1.00 15.35 N ATOM 596 CA ASN A 40 2.971 8.150 4.805 1.00 41.21 C ATOM 597 C ASN A 40 3.578 9.186 3.887 1.00 22.32 C ATOM 598 O ASN A 40 3.006 9.533 2.851 1.00 33.43 O ATOM 599 CB ASN A 40 3.991 7.026 5.014 1.00 53.21 C ATOM 600 CG ASN A 40 3.418 5.796 5.700 1.00 45.12 C ATOM 601 OD1 ASN A 40 3.802 4.667 5.392 1.00 35.24 O ATOM 602 ND2 ASN A 40 2.519 6.000 6.651 1.00 40.43 N ATOM 0 H ASN A 40 1.829 6.940 3.540 1.00 15.35 H new ATOM 0 HA ASN A 40 2.737 8.582 5.778 1.00 41.21 H new ATOM 0 HB2 ASN A 40 4.399 6.734 4.046 1.00 53.21 H new ATOM 0 HB3 ASN A 40 4.822 7.408 5.608 1.00 53.21 H new ATOM 0 HD21 ASN A 40 2.121 5.208 7.155 1.00 40.43 H new ATOM 0 HD22 ASN A 40 2.225 6.950 6.879 1.00 40.43 H new ATOM 609 N SER A 41 4.697 9.727 4.321 1.00 71.23 N ATOM 610 CA SER A 41 5.491 10.648 3.541 1.00 4.50 C ATOM 611 C SER A 41 6.018 9.989 2.265 1.00 71.24 C ATOM 612 O SER A 41 7.174 9.571 2.189 1.00 54.12 O ATOM 613 CB SER A 41 6.637 11.122 4.419 1.00 23.30 C ATOM 614 OG SER A 41 7.019 10.093 5.323 1.00 33.02 O ATOM 0 H SER A 41 5.086 9.534 5.244 1.00 71.23 H new ATOM 0 HA SER A 41 4.878 11.492 3.224 1.00 4.50 H new ATOM 0 HB2 SER A 41 7.487 11.406 3.799 1.00 23.30 H new ATOM 0 HB3 SER A 41 6.337 12.011 4.974 1.00 23.30 H new ATOM 0 HG SER A 41 7.759 10.408 5.883 1.00 33.02 H new ATOM 620 N GLY A 42 5.135 9.848 1.296 1.00 25.43 N ATOM 621 CA GLY A 42 5.512 9.310 0.005 1.00 72.24 C ATOM 622 C GLY A 42 4.569 8.215 -0.451 1.00 74.12 C ATOM 623 O GLY A 42 3.814 8.389 -1.409 1.00 22.33 O ATOM 0 H GLY A 42 4.150 10.099 1.379 1.00 25.43 H new ATOM 0 HA2 GLY A 42 5.521 10.112 -0.733 1.00 72.24 H new ATOM 0 HA3 GLY A 42 6.527 8.915 0.059 1.00 72.24 H new ATOM 627 N TRP A 43 4.610 7.090 0.241 1.00 10.25 N ATOM 628 CA TRP A 43 3.756 5.960 -0.081 1.00 72.31 C ATOM 629 C TRP A 43 2.738 5.723 1.023 1.00 5.32 C ATOM 630 O TRP A 43 2.908 6.177 2.154 1.00 21.15 O ATOM 631 CB TRP A 43 4.583 4.691 -0.290 1.00 43.45 C ATOM 632 CG TRP A 43 5.358 4.663 -1.576 1.00 73.15 C ATOM 633 CD1 TRP A 43 5.207 5.484 -2.656 1.00 40.22 C ATOM 634 CD2 TRP A 43 6.399 3.741 -1.914 1.00 54.12 C ATOM 635 NE1 TRP A 43 6.098 5.135 -3.643 1.00 24.42 N ATOM 636 CE2 TRP A 43 6.840 4.063 -3.212 1.00 63.21 C ATOM 637 CE3 TRP A 43 7.000 2.675 -1.241 1.00 33.45 C ATOM 638 CZ2 TRP A 43 7.862 3.356 -3.846 1.00 74.35 C ATOM 639 CZ3 TRP A 43 8.011 1.972 -1.868 1.00 5.11 C ATOM 640 CH2 TRP A 43 8.431 2.314 -3.162 1.00 4.42 C ATOM 0 H TRP A 43 5.231 6.934 1.035 1.00 10.25 H new ATOM 0 HA TRP A 43 3.232 6.197 -1.007 1.00 72.31 H new ATOM 0 HB2 TRP A 43 5.279 4.584 0.542 1.00 43.45 H new ATOM 0 HB3 TRP A 43 3.917 3.829 -0.262 1.00 43.45 H new ATOM 0 HD1 TRP A 43 4.492 6.290 -2.725 1.00 40.22 H new ATOM 0 HE1 TRP A 43 6.192 5.597 -4.548 1.00 24.42 H new ATOM 0 HE3 TRP A 43 6.680 2.404 -0.246 1.00 33.45 H new ATOM 0 HZ2 TRP A 43 8.193 3.620 -4.840 1.00 74.35 H new ATOM 0 HZ3 TRP A 43 8.484 1.148 -1.355 1.00 5.11 H new ATOM 0 HH2 TRP A 43 9.220 1.744 -3.629 1.00 4.42 H new ATOM 651 N SER A 44 1.678 5.019 0.686 1.00 64.41 N ATOM 652 CA SER A 44 0.639 4.699 1.643 1.00 12.53 C ATOM 653 C SER A 44 0.774 3.246 2.081 1.00 64.44 C ATOM 654 O SER A 44 0.883 2.347 1.244 1.00 75.30 O ATOM 655 CB SER A 44 -0.727 4.953 1.017 1.00 23.22 C ATOM 656 OG SER A 44 -0.772 6.243 0.427 1.00 24.33 O ATOM 0 H SER A 44 1.512 4.654 -0.252 1.00 64.41 H new ATOM 0 HA SER A 44 0.740 5.334 2.523 1.00 12.53 H new ATOM 0 HB2 SER A 44 -0.934 4.194 0.262 1.00 23.22 H new ATOM 0 HB3 SER A 44 -1.503 4.867 1.777 1.00 23.22 H new ATOM 0 HG SER A 44 -1.655 6.390 0.028 1.00 24.33 H new ATOM 662 N LYS A 45 0.782 3.022 3.386 1.00 23.01 N ATOM 663 CA LYS A 45 1.014 1.711 3.934 1.00 13.13 C ATOM 664 C LYS A 45 -0.259 0.875 3.955 1.00 44.24 C ATOM 665 O LYS A 45 -1.319 1.334 4.397 1.00 61.32 O ATOM 666 CB LYS A 45 1.552 1.879 5.342 1.00 74.34 C ATOM 667 CG LYS A 45 1.849 0.585 6.054 1.00 72.21 C ATOM 668 CD LYS A 45 2.421 0.872 7.419 1.00 51.03 C ATOM 669 CE LYS A 45 3.726 1.638 7.315 1.00 14.45 C ATOM 670 NZ LYS A 45 4.224 2.076 8.643 1.00 15.12 N ATOM 0 H LYS A 45 0.627 3.747 4.086 1.00 23.01 H new ATOM 0 HA LYS A 45 1.732 1.183 3.306 1.00 13.13 H new ATOM 0 HB2 LYS A 45 2.464 2.474 5.301 1.00 74.34 H new ATOM 0 HB3 LYS A 45 0.829 2.445 5.929 1.00 74.34 H new ATOM 0 HG2 LYS A 45 0.938 -0.006 6.148 1.00 72.21 H new ATOM 0 HG3 LYS A 45 2.554 -0.008 5.471 1.00 72.21 H new ATOM 0 HD2 LYS A 45 1.703 1.448 8.003 1.00 51.03 H new ATOM 0 HD3 LYS A 45 2.587 -0.065 7.951 1.00 51.03 H new ATOM 0 HE2 LYS A 45 4.477 1.010 6.836 1.00 14.45 H new ATOM 0 HE3 LYS A 45 3.584 2.510 6.676 1.00 14.45 H new ATOM 0 HZ1 LYS A 45 5.117 2.595 8.525 1.00 15.12 H new ATOM 0 HZ2 LYS A 45 3.519 2.696 9.091 1.00 15.12 H new ATOM 0 HZ3 LYS A 45 4.385 1.244 9.245 1.00 15.12 H new ATOM 684 N ILE A 46 -0.143 -0.357 3.479 1.00 31.14 N ATOM 685 CA ILE A 46 -1.252 -1.299 3.498 1.00 43.45 C ATOM 686 C ILE A 46 -0.747 -2.689 3.861 1.00 55.03 C ATOM 687 O ILE A 46 0.420 -3.015 3.639 1.00 71.20 O ATOM 688 CB ILE A 46 -2.022 -1.391 2.146 1.00 31.24 C ATOM 689 CG1 ILE A 46 -1.173 -2.035 1.038 1.00 53.45 C ATOM 690 CG2 ILE A 46 -2.507 -0.019 1.702 1.00 63.42 C ATOM 691 CD1 ILE A 46 -0.093 -1.137 0.475 1.00 75.14 C ATOM 0 H ILE A 46 0.715 -0.729 3.072 1.00 31.14 H new ATOM 0 HA ILE A 46 -1.950 -0.921 4.245 1.00 43.45 H new ATOM 0 HB ILE A 46 -2.885 -2.034 2.318 1.00 31.24 H new ATOM 0 HG12 ILE A 46 -0.708 -2.938 1.432 1.00 53.45 H new ATOM 0 HG13 ILE A 46 -1.831 -2.344 0.226 1.00 53.45 H new ATOM 0 HG21 ILE A 46 -3.041 -0.110 0.756 1.00 63.42 H new ATOM 0 HG22 ILE A 46 -3.176 0.393 2.458 1.00 63.42 H new ATOM 0 HG23 ILE A 46 -1.652 0.645 1.573 1.00 63.42 H new ATOM 0 HD11 ILE A 46 0.457 -1.671 -0.300 1.00 75.14 H new ATOM 0 HD12 ILE A 46 -0.549 -0.244 0.047 1.00 75.14 H new ATOM 0 HD13 ILE A 46 0.592 -0.848 1.272 1.00 75.14 H new ATOM 703 N ASN A 47 -1.617 -3.492 4.439 1.00 65.32 N ATOM 704 CA ASN A 47 -1.299 -4.883 4.700 1.00 41.54 C ATOM 705 C ASN A 47 -2.168 -5.750 3.806 1.00 74.10 C ATOM 706 O ASN A 47 -3.391 -5.773 3.949 1.00 63.33 O ATOM 707 CB ASN A 47 -1.523 -5.219 6.178 1.00 42.53 C ATOM 708 CG ASN A 47 -1.084 -6.628 6.534 1.00 63.40 C ATOM 709 OD1 ASN A 47 -2.014 -7.567 6.506 1.00 4.45 O flip ATOM 710 ND2 ASN A 47 0.080 -6.867 6.851 1.00 24.21 N flip ATOM 0 H ASN A 47 -2.550 -3.206 4.737 1.00 65.32 H new ATOM 0 HA ASN A 47 -0.248 -5.072 4.480 1.00 41.54 H new ATOM 0 HB2 ASN A 47 -0.976 -4.506 6.795 1.00 42.53 H new ATOM 0 HB3 ASN A 47 -2.580 -5.102 6.416 1.00 42.53 H new ATOM 0 HD21 ASN A 47 0.770 -6.116 6.861 1.00 24.21 H new ATOM 0 HD22 ASN A 47 0.355 -7.816 7.104 1.00 24.21 H new ATOM 717 N TYR A 48 -1.539 -6.445 2.877 1.00 62.41 N ATOM 718 CA TYR A 48 -2.267 -7.184 1.860 1.00 14.52 C ATOM 719 C TYR A 48 -2.013 -8.675 2.014 1.00 34.33 C ATOM 720 O TYR A 48 -0.900 -9.141 1.799 1.00 4.20 O ATOM 721 CB TYR A 48 -1.837 -6.710 0.466 1.00 11.41 C ATOM 722 CG TYR A 48 -2.867 -6.962 -0.621 1.00 12.33 C ATOM 723 CD1 TYR A 48 -3.970 -6.130 -0.763 1.00 14.11 C ATOM 724 CD2 TYR A 48 -2.735 -8.024 -1.503 1.00 42.51 C ATOM 725 CE1 TYR A 48 -4.914 -6.355 -1.745 1.00 61.33 C ATOM 726 CE2 TYR A 48 -3.675 -8.251 -2.491 1.00 35.45 C ATOM 727 CZ TYR A 48 -4.762 -7.416 -2.606 1.00 55.04 C ATOM 728 OH TYR A 48 -5.700 -7.645 -3.589 1.00 41.53 O ATOM 0 H TYR A 48 -0.524 -6.514 2.805 1.00 62.41 H new ATOM 0 HA TYR A 48 -3.335 -7.001 1.981 1.00 14.52 H new ATOM 0 HB2 TYR A 48 -1.623 -5.642 0.508 1.00 11.41 H new ATOM 0 HB3 TYR A 48 -0.908 -7.211 0.194 1.00 11.41 H new ATOM 0 HD1 TYR A 48 -4.091 -5.292 -0.093 1.00 14.11 H new ATOM 0 HD2 TYR A 48 -1.885 -8.684 -1.417 1.00 42.51 H new ATOM 0 HE1 TYR A 48 -5.768 -5.700 -1.836 1.00 61.33 H new ATOM 0 HE2 TYR A 48 -3.556 -9.082 -3.171 1.00 35.45 H new ATOM 0 HH TYR A 48 -5.441 -8.433 -4.111 1.00 41.53 H new ATOM 738 N ASN A 49 -3.044 -9.406 2.423 1.00 52.42 N ATOM 739 CA ASN A 49 -2.967 -10.858 2.587 1.00 24.43 C ATOM 740 C ASN A 49 -1.935 -11.228 3.654 1.00 21.32 C ATOM 741 O ASN A 49 -1.275 -12.267 3.580 1.00 14.11 O ATOM 742 CB ASN A 49 -2.620 -11.532 1.253 1.00 43.51 C ATOM 743 CG ASN A 49 -2.908 -13.023 1.263 1.00 44.31 C ATOM 744 OD1 ASN A 49 -3.798 -13.490 1.979 1.00 32.13 O ATOM 745 ND2 ASN A 49 -2.172 -13.778 0.464 1.00 72.23 N ATOM 0 H ASN A 49 -3.957 -9.012 2.651 1.00 52.42 H new ATOM 0 HA ASN A 49 -3.943 -11.216 2.914 1.00 24.43 H new ATOM 0 HB2 ASN A 49 -3.190 -11.060 0.452 1.00 43.51 H new ATOM 0 HB3 ASN A 49 -1.565 -11.370 1.031 1.00 43.51 H new ATOM 0 HD21 ASN A 49 -2.331 -14.785 0.424 1.00 72.23 H new ATOM 0 HD22 ASN A 49 -1.446 -13.353 -0.113 1.00 72.23 H new ATOM 752 N GLY A 50 -1.819 -10.379 4.665 1.00 75.51 N ATOM 753 CA GLY A 50 -0.931 -10.664 5.774 1.00 44.10 C ATOM 754 C GLY A 50 0.477 -10.126 5.586 1.00 51.30 C ATOM 755 O GLY A 50 1.270 -10.135 6.528 1.00 10.24 O ATOM 0 H GLY A 50 -2.325 -9.496 4.737 1.00 75.51 H new ATOM 0 HA2 GLY A 50 -1.354 -10.239 6.684 1.00 44.10 H new ATOM 0 HA3 GLY A 50 -0.881 -11.743 5.919 1.00 44.10 H new ATOM 759 N GLN A 51 0.804 -9.657 4.390 1.00 54.05 N ATOM 760 CA GLN A 51 2.146 -9.148 4.136 1.00 74.14 C ATOM 761 C GLN A 51 2.142 -7.630 4.030 1.00 71.32 C ATOM 762 O GLN A 51 1.166 -7.025 3.578 1.00 64.31 O ATOM 763 CB GLN A 51 2.753 -9.793 2.884 1.00 10.20 C ATOM 764 CG GLN A 51 1.994 -9.521 1.600 1.00 31.22 C ATOM 765 CD GLN A 51 2.327 -10.525 0.512 1.00 71.42 C ATOM 766 OE1 GLN A 51 1.668 -11.557 0.382 1.00 60.34 O ATOM 767 NE2 GLN A 51 3.364 -10.250 -0.257 1.00 5.45 N ATOM 0 H GLN A 51 0.171 -9.618 3.591 1.00 54.05 H new ATOM 0 HA GLN A 51 2.775 -9.419 4.984 1.00 74.14 H new ATOM 0 HB2 GLN A 51 3.776 -9.436 2.768 1.00 10.20 H new ATOM 0 HB3 GLN A 51 2.807 -10.871 3.037 1.00 10.20 H new ATOM 0 HG2 GLN A 51 0.923 -9.548 1.801 1.00 31.22 H new ATOM 0 HG3 GLN A 51 2.227 -8.516 1.248 1.00 31.22 H new ATOM 0 HE21 GLN A 51 3.886 -9.384 -0.119 1.00 5.45 H new ATOM 0 HE22 GLN A 51 3.643 -10.903 -0.989 1.00 5.45 H new ATOM 776 N THR A 52 3.233 -7.022 4.470 1.00 62.33 N ATOM 777 CA THR A 52 3.342 -5.572 4.516 1.00 11.35 C ATOM 778 C THR A 52 3.795 -5.004 3.173 1.00 1.30 C ATOM 779 O THR A 52 4.767 -5.476 2.581 1.00 22.11 O ATOM 780 CB THR A 52 4.329 -5.132 5.615 1.00 55.31 C ATOM 781 OG1 THR A 52 3.935 -5.689 6.878 1.00 13.34 O ATOM 782 CG2 THR A 52 4.390 -3.614 5.725 1.00 12.33 C ATOM 0 H THR A 52 4.062 -7.515 4.803 1.00 62.33 H new ATOM 0 HA THR A 52 2.350 -5.182 4.744 1.00 11.35 H new ATOM 0 HB THR A 52 5.319 -5.498 5.344 1.00 55.31 H new ATOM 0 HG1 THR A 52 4.567 -5.407 7.571 1.00 13.34 H new ATOM 0 HG21 THR A 52 5.094 -3.334 6.508 1.00 12.33 H new ATOM 0 HG22 THR A 52 4.718 -3.193 4.775 1.00 12.33 H new ATOM 0 HG23 THR A 52 3.401 -3.227 5.971 1.00 12.33 H new ATOM 790 N GLY A 53 3.089 -3.989 2.698 1.00 22.44 N ATOM 791 CA GLY A 53 3.461 -3.345 1.460 1.00 62.50 C ATOM 792 C GLY A 53 3.141 -1.868 1.476 1.00 34.24 C ATOM 793 O GLY A 53 2.532 -1.368 2.425 1.00 22.25 O ATOM 0 H GLY A 53 2.262 -3.600 3.151 1.00 22.44 H new ATOM 0 HA2 GLY A 53 4.528 -3.484 1.285 1.00 62.50 H new ATOM 0 HA3 GLY A 53 2.937 -3.821 0.631 1.00 62.50 H new ATOM 797 N TYR A 54 3.554 -1.167 0.432 1.00 3.53 N ATOM 798 CA TYR A 54 3.269 0.253 0.295 1.00 22.40 C ATOM 799 C TYR A 54 2.784 0.533 -1.117 1.00 61.31 C ATOM 800 O TYR A 54 3.199 -0.145 -2.051 1.00 4.43 O ATOM 801 CB TYR A 54 4.517 1.093 0.574 1.00 75.32 C ATOM 802 CG TYR A 54 5.171 0.804 1.903 1.00 72.52 C ATOM 803 CD1 TYR A 54 4.645 1.310 3.083 1.00 23.15 C ATOM 804 CD2 TYR A 54 6.319 0.026 1.975 1.00 25.02 C ATOM 805 CE1 TYR A 54 5.242 1.044 4.299 1.00 13.43 C ATOM 806 CE2 TYR A 54 6.920 -0.243 3.186 1.00 3.34 C ATOM 807 CZ TYR A 54 6.380 0.267 4.346 1.00 60.24 C ATOM 808 OH TYR A 54 6.976 -0.003 5.555 1.00 1.31 O ATOM 0 H TYR A 54 4.092 -1.562 -0.339 1.00 3.53 H new ATOM 0 HA TYR A 54 2.501 0.522 1.020 1.00 22.40 H new ATOM 0 HB2 TYR A 54 5.243 0.921 -0.221 1.00 75.32 H new ATOM 0 HB3 TYR A 54 4.247 2.148 0.536 1.00 75.32 H new ATOM 0 HD1 TYR A 54 3.755 1.921 3.050 1.00 23.15 H new ATOM 0 HD2 TYR A 54 6.748 -0.374 1.068 1.00 25.02 H new ATOM 0 HE1 TYR A 54 4.820 1.443 5.209 1.00 13.43 H new ATOM 0 HE2 TYR A 54 7.811 -0.852 3.225 1.00 3.34 H new ATOM 0 HH TYR A 54 7.766 -0.564 5.412 1.00 1.31 H new ATOM 818 N ILE A 55 1.897 1.506 -1.273 1.00 51.32 N ATOM 819 CA ILE A 55 1.434 1.902 -2.597 1.00 71.31 C ATOM 820 C ILE A 55 1.605 3.400 -2.801 1.00 24.20 C ATOM 821 O ILE A 55 1.642 4.161 -1.837 1.00 34.03 O ATOM 822 CB ILE A 55 -0.038 1.487 -2.858 1.00 42.10 C ATOM 823 CG1 ILE A 55 -0.976 1.981 -1.750 1.00 73.10 C ATOM 824 CG2 ILE A 55 -0.144 -0.022 -3.005 1.00 51.44 C ATOM 825 CD1 ILE A 55 -1.525 3.373 -1.985 1.00 50.25 C ATOM 0 H ILE A 55 1.485 2.034 -0.504 1.00 51.32 H new ATOM 0 HA ILE A 55 2.053 1.371 -3.320 1.00 71.31 H new ATOM 0 HB ILE A 55 -0.351 1.960 -3.789 1.00 42.10 H new ATOM 0 HG12 ILE A 55 -1.809 1.284 -1.655 1.00 73.10 H new ATOM 0 HG13 ILE A 55 -0.440 1.968 -0.801 1.00 73.10 H new ATOM 0 HG21 ILE A 55 -1.183 -0.298 -3.188 1.00 51.44 H new ATOM 0 HG22 ILE A 55 0.471 -0.350 -3.843 1.00 51.44 H new ATOM 0 HG23 ILE A 55 0.203 -0.502 -2.090 1.00 51.44 H new ATOM 0 HD11 ILE A 55 -2.179 3.650 -1.158 1.00 50.25 H new ATOM 0 HD12 ILE A 55 -0.701 4.083 -2.049 1.00 50.25 H new ATOM 0 HD13 ILE A 55 -2.091 3.388 -2.917 1.00 50.25 H new ATOM 837 N GLY A 56 1.728 3.819 -4.052 1.00 62.41 N ATOM 838 CA GLY A 56 1.895 5.225 -4.343 1.00 21.22 C ATOM 839 C GLY A 56 0.599 5.987 -4.194 1.00 72.11 C ATOM 840 O GLY A 56 -0.428 5.584 -4.735 1.00 24.45 O ATOM 0 H GLY A 56 1.715 3.209 -4.870 1.00 62.41 H new ATOM 0 HA2 GLY A 56 2.644 5.648 -3.674 1.00 21.22 H new ATOM 0 HA3 GLY A 56 2.272 5.344 -5.359 1.00 21.22 H new ATOM 844 N THR A 57 0.645 7.094 -3.467 1.00 54.41 N ATOM 845 CA THR A 57 -0.542 7.901 -3.215 1.00 43.33 C ATOM 846 C THR A 57 -1.025 8.598 -4.494 1.00 35.31 C ATOM 847 O THR A 57 -2.112 9.179 -4.532 1.00 21.22 O ATOM 848 CB THR A 57 -0.249 8.941 -2.117 1.00 33.22 C ATOM 849 OG1 THR A 57 0.421 8.294 -1.029 1.00 55.20 O ATOM 850 CG2 THR A 57 -1.529 9.588 -1.605 1.00 44.12 C ATOM 0 H THR A 57 1.497 7.456 -3.039 1.00 54.41 H new ATOM 0 HA THR A 57 -1.338 7.237 -2.876 1.00 43.33 H new ATOM 0 HB THR A 57 0.378 9.723 -2.544 1.00 33.22 H new ATOM 0 HG1 THR A 57 -0.157 7.595 -0.658 1.00 55.20 H new ATOM 0 HG21 THR A 57 -1.284 10.316 -0.832 1.00 44.12 H new ATOM 0 HG22 THR A 57 -2.037 10.090 -2.428 1.00 44.12 H new ATOM 0 HG23 THR A 57 -2.183 8.822 -1.188 1.00 44.12 H new ATOM 858 N ARG A 58 -0.213 8.522 -5.548 1.00 52.03 N ATOM 859 CA ARG A 58 -0.578 9.072 -6.840 1.00 71.41 C ATOM 860 C ARG A 58 -1.849 8.405 -7.356 1.00 42.43 C ATOM 861 O ARG A 58 -2.780 9.073 -7.807 1.00 11.00 O ATOM 862 CB ARG A 58 0.544 8.848 -7.849 1.00 43.11 C ATOM 863 CG ARG A 58 1.896 9.386 -7.417 1.00 53.54 C ATOM 864 CD ARG A 58 2.922 9.215 -8.525 1.00 43.44 C ATOM 865 NE ARG A 58 4.264 9.608 -8.109 1.00 51.43 N ATOM 866 CZ ARG A 58 5.100 10.311 -8.869 1.00 13.34 C ATOM 867 NH1 ARG A 58 4.706 10.760 -10.057 1.00 13.32 N ATOM 868 NH2 ARG A 58 6.329 10.568 -8.443 1.00 4.11 N ATOM 0 H ARG A 58 0.706 8.081 -5.525 1.00 52.03 H new ATOM 0 HA ARG A 58 -0.749 10.142 -6.719 1.00 71.41 H new ATOM 0 HB2 ARG A 58 0.637 7.779 -8.039 1.00 43.11 H new ATOM 0 HB3 ARG A 58 0.265 9.316 -8.793 1.00 43.11 H new ATOM 0 HG2 ARG A 58 1.807 10.441 -7.157 1.00 53.54 H new ATOM 0 HG3 ARG A 58 2.231 8.864 -6.521 1.00 53.54 H new ATOM 0 HD2 ARG A 58 2.935 8.173 -8.846 1.00 43.44 H new ATOM 0 HD3 ARG A 58 2.623 9.811 -9.388 1.00 43.44 H new ATOM 0 HE ARG A 58 4.580 9.327 -7.181 1.00 51.43 H new ATOM 0 HH11 ARG A 58 3.761 10.566 -10.388 1.00 13.32 H new ATOM 0 HH12 ARG A 58 5.349 11.299 -10.637 1.00 13.32 H new ATOM 0 HH21 ARG A 58 6.635 10.227 -7.532 1.00 4.11 H new ATOM 0 HH22 ARG A 58 6.969 11.107 -9.027 1.00 4.11 H new ATOM 882 N TYR A 59 -1.877 7.081 -7.280 1.00 31.21 N ATOM 883 CA TYR A 59 -3.015 6.313 -7.731 1.00 55.53 C ATOM 884 C TYR A 59 -3.443 5.322 -6.665 1.00 74.53 C ATOM 885 O TYR A 59 -2.686 4.435 -6.277 1.00 54.03 O ATOM 886 CB TYR A 59 -2.681 5.601 -9.037 1.00 74.12 C ATOM 887 CG TYR A 59 -3.081 6.394 -10.253 1.00 41.43 C ATOM 888 CD1 TYR A 59 -2.252 7.379 -10.761 1.00 34.03 C ATOM 889 CD2 TYR A 59 -4.291 6.155 -10.889 1.00 73.14 C ATOM 890 CE1 TYR A 59 -2.617 8.111 -11.870 1.00 13.13 C ATOM 891 CE2 TYR A 59 -4.662 6.882 -11.999 1.00 43.40 C ATOM 892 CZ TYR A 59 -3.821 7.855 -12.486 1.00 33.41 C ATOM 893 OH TYR A 59 -4.185 8.573 -13.595 1.00 50.44 O ATOM 0 H TYR A 59 -1.113 6.518 -6.905 1.00 31.21 H new ATOM 0 HA TYR A 59 -3.849 6.991 -7.913 1.00 55.53 H new ATOM 0 HB2 TYR A 59 -1.610 5.403 -9.074 1.00 74.12 H new ATOM 0 HB3 TYR A 59 -3.184 4.634 -9.058 1.00 74.12 H new ATOM 0 HD1 TYR A 59 -1.305 7.577 -10.281 1.00 34.03 H new ATOM 0 HD2 TYR A 59 -4.951 5.389 -10.509 1.00 73.14 H new ATOM 0 HE1 TYR A 59 -1.963 8.880 -12.253 1.00 13.13 H new ATOM 0 HE2 TYR A 59 -5.608 6.689 -12.484 1.00 43.40 H new ATOM 0 HH TYR A 59 -5.156 8.709 -13.593 1.00 50.44 H new ATOM 903 N LEU A 60 -4.670 5.481 -6.207 1.00 75.30 N ATOM 904 CA LEU A 60 -5.202 4.669 -5.129 1.00 33.30 C ATOM 905 C LEU A 60 -6.636 4.282 -5.467 1.00 4.02 C ATOM 906 O LEU A 60 -7.418 5.119 -5.915 1.00 41.23 O ATOM 907 CB LEU A 60 -5.134 5.458 -3.807 1.00 44.34 C ATOM 908 CG LEU A 60 -5.154 4.631 -2.515 1.00 31.51 C ATOM 909 CD1 LEU A 60 -4.682 5.479 -1.344 1.00 43.32 C ATOM 910 CD2 LEU A 60 -6.546 4.093 -2.225 1.00 15.45 C ATOM 0 H LEU A 60 -5.324 6.174 -6.570 1.00 75.30 H new ATOM 0 HA LEU A 60 -4.612 3.760 -5.010 1.00 33.30 H new ATOM 0 HB2 LEU A 60 -4.224 6.058 -3.814 1.00 44.34 H new ATOM 0 HB3 LEU A 60 -5.974 6.153 -3.781 1.00 44.34 H new ATOM 0 HG LEU A 60 -4.480 3.785 -2.650 1.00 31.51 H new ATOM 0 HD11 LEU A 60 -4.700 4.882 -0.432 1.00 43.32 H new ATOM 0 HD12 LEU A 60 -3.665 5.825 -1.531 1.00 43.32 H new ATOM 0 HD13 LEU A 60 -5.342 6.339 -1.228 1.00 43.32 H new ATOM 0 HD21 LEU A 60 -6.527 3.512 -1.303 1.00 15.45 H new ATOM 0 HD22 LEU A 60 -7.242 4.925 -2.115 1.00 15.45 H new ATOM 0 HD23 LEU A 60 -6.869 3.456 -3.049 1.00 15.45 H new ATOM 922 N SER A 61 -6.978 3.020 -5.264 1.00 35.32 N ATOM 923 CA SER A 61 -8.296 2.540 -5.624 1.00 32.22 C ATOM 924 C SER A 61 -9.305 2.830 -4.528 1.00 61.13 C ATOM 925 O SER A 61 -9.168 2.375 -3.392 1.00 75.41 O ATOM 926 CB SER A 61 -8.255 1.041 -5.914 1.00 31.24 C ATOM 927 OG SER A 61 -7.415 0.766 -7.020 1.00 33.54 O ATOM 0 H SER A 61 -6.364 2.316 -4.855 1.00 35.32 H new ATOM 0 HA SER A 61 -8.610 3.069 -6.524 1.00 32.22 H new ATOM 0 HB2 SER A 61 -7.894 0.506 -5.036 1.00 31.24 H new ATOM 0 HB3 SER A 61 -9.262 0.678 -6.117 1.00 31.24 H new ATOM 0 HG SER A 61 -7.524 -0.170 -7.288 1.00 33.54 H new ATOM 933 N LYS A 62 -10.315 3.600 -4.885 1.00 2.22 N ATOM 934 CA LYS A 62 -11.422 3.874 -3.994 1.00 45.45 C ATOM 935 C LYS A 62 -12.657 3.172 -4.549 1.00 24.45 C ATOM 936 O LYS A 62 -12.591 2.584 -5.629 1.00 70.15 O ATOM 937 CB LYS A 62 -11.637 5.393 -3.874 1.00 12.35 C ATOM 938 CG LYS A 62 -12.546 5.816 -2.725 1.00 12.44 C ATOM 939 CD LYS A 62 -12.013 5.355 -1.373 1.00 43.25 C ATOM 940 CE LYS A 62 -10.650 5.956 -1.051 1.00 45.45 C ATOM 941 NZ LYS A 62 -10.162 5.538 0.293 1.00 42.00 N ATOM 0 H LYS A 62 -10.390 4.051 -5.797 1.00 2.22 H new ATOM 0 HA LYS A 62 -11.217 3.499 -2.991 1.00 45.45 H new ATOM 0 HB2 LYS A 62 -10.667 5.875 -3.750 1.00 12.35 H new ATOM 0 HB3 LYS A 62 -12.059 5.762 -4.809 1.00 12.35 H new ATOM 0 HG2 LYS A 62 -12.647 6.901 -2.724 1.00 12.44 H new ATOM 0 HG3 LYS A 62 -13.543 5.404 -2.881 1.00 12.44 H new ATOM 0 HD2 LYS A 62 -12.722 5.631 -0.593 1.00 43.25 H new ATOM 0 HD3 LYS A 62 -11.938 4.268 -1.366 1.00 43.25 H new ATOM 0 HE2 LYS A 62 -9.930 5.650 -1.810 1.00 45.45 H new ATOM 0 HE3 LYS A 62 -10.714 7.043 -1.092 1.00 45.45 H new ATOM 0 HZ1 LYS A 62 -9.232 5.968 0.474 1.00 42.00 H new ATOM 0 HZ2 LYS A 62 -10.836 5.852 1.020 1.00 42.00 H new ATOM 0 HZ3 LYS A 62 -10.076 4.502 0.324 1.00 42.00 H new ATOM 955 N LEU A 63 -13.764 3.220 -3.826 1.00 4.32 N ATOM 956 CA LEU A 63 -14.969 2.516 -4.245 1.00 23.53 C ATOM 957 C LEU A 63 -15.557 3.124 -5.511 1.00 31.42 C ATOM 958 O LEU A 63 -15.592 2.469 -6.556 1.00 73.04 O ATOM 959 CB LEU A 63 -16.015 2.516 -3.125 1.00 41.21 C ATOM 960 CG LEU A 63 -15.811 1.468 -2.025 1.00 71.20 C ATOM 961 CD1 LEU A 63 -15.884 0.066 -2.607 1.00 12.03 C ATOM 962 CD2 LEU A 63 -14.485 1.679 -1.308 1.00 35.24 C ATOM 0 H LEU A 63 -13.855 3.736 -2.951 1.00 4.32 H new ATOM 0 HA LEU A 63 -14.687 1.486 -4.463 1.00 23.53 H new ATOM 0 HB2 LEU A 63 -16.026 3.503 -2.663 1.00 41.21 H new ATOM 0 HB3 LEU A 63 -16.998 2.362 -3.571 1.00 41.21 H new ATOM 0 HG LEU A 63 -16.612 1.584 -1.295 1.00 71.20 H new ATOM 0 HD11 LEU A 63 -15.737 -0.666 -1.813 1.00 12.03 H new ATOM 0 HD12 LEU A 63 -16.861 -0.087 -3.065 1.00 12.03 H new ATOM 0 HD13 LEU A 63 -15.106 -0.056 -3.361 1.00 12.03 H new ATOM 0 HD21 LEU A 63 -14.366 0.922 -0.533 1.00 35.24 H new ATOM 0 HD22 LEU A 63 -13.667 1.597 -2.024 1.00 35.24 H new ATOM 0 HD23 LEU A 63 -14.471 2.669 -0.853 1.00 35.24 H new ATOM 974 N GLU A 64 -16.016 4.372 -5.407 1.00 71.34 N ATOM 975 CA GLU A 64 -16.683 5.056 -6.513 1.00 34.21 C ATOM 976 C GLU A 64 -17.956 4.291 -6.883 1.00 31.41 C ATOM 977 O GLU A 64 -18.312 3.301 -6.236 1.00 31.11 O ATOM 978 CB GLU A 64 -15.732 5.181 -7.721 1.00 51.53 C ATOM 979 CG GLU A 64 -15.711 6.562 -8.377 1.00 41.03 C ATOM 980 CD GLU A 64 -16.897 6.822 -9.289 1.00 14.45 C ATOM 981 OE1 GLU A 64 -17.982 7.162 -8.780 1.00 3.21 O ATOM 982 OE2 GLU A 64 -16.754 6.678 -10.519 1.00 60.05 O ATOM 0 H GLU A 64 -15.936 4.933 -4.559 1.00 71.34 H new ATOM 0 HA GLU A 64 -16.958 6.066 -6.208 1.00 34.21 H new ATOM 0 HB2 GLU A 64 -14.721 4.932 -7.398 1.00 51.53 H new ATOM 0 HB3 GLU A 64 -16.018 4.442 -8.470 1.00 51.53 H new ATOM 0 HG2 GLU A 64 -15.689 7.324 -7.598 1.00 41.03 H new ATOM 0 HG3 GLU A 64 -14.791 6.667 -8.952 1.00 41.03 H new ATOM 989 N HIS A 65 -18.660 4.751 -7.890 1.00 32.43 N ATOM 990 CA HIS A 65 -19.848 4.060 -8.333 1.00 51.33 C ATOM 991 C HIS A 65 -19.703 3.641 -9.785 1.00 71.42 C ATOM 992 O HIS A 65 -20.221 4.299 -10.687 1.00 25.55 O ATOM 993 CB HIS A 65 -21.083 4.937 -8.149 1.00 3.14 C ATOM 994 CG HIS A 65 -22.263 4.187 -7.623 1.00 35.44 C ATOM 995 ND1 HIS A 65 -23.266 3.692 -8.423 1.00 51.04 N ATOM 996 CD2 HIS A 65 -22.595 3.849 -6.357 1.00 34.31 C ATOM 997 CE1 HIS A 65 -24.165 3.088 -7.673 1.00 1.22 C ATOM 998 NE2 HIS A 65 -23.782 3.166 -6.414 1.00 43.11 N ATOM 0 H HIS A 65 -18.433 5.595 -8.415 1.00 32.43 H new ATOM 0 HA HIS A 65 -19.973 3.165 -7.724 1.00 51.33 H new ATOM 0 HB2 HIS A 65 -20.844 5.752 -7.465 1.00 3.14 H new ATOM 0 HB3 HIS A 65 -21.345 5.390 -9.105 1.00 3.14 H new ATOM 0 HD2 HIS A 65 -22.029 4.075 -5.465 1.00 34.31 H new ATOM 0 HE1 HIS A 65 -25.065 2.609 -8.030 1.00 1.22 H new ATOM 0 HE2 HIS A 65 -24.286 2.782 -5.615 1.00 43.11 H new ATOM 1007 N HIS A 66 -18.946 2.577 -10.003 1.00 45.31 N ATOM 1008 CA HIS A 66 -18.794 2.004 -11.329 1.00 31.14 C ATOM 1009 C HIS A 66 -19.676 0.779 -11.480 1.00 63.51 C ATOM 1010 O HIS A 66 -19.311 -0.322 -11.060 1.00 3.50 O ATOM 1011 CB HIS A 66 -17.336 1.630 -11.614 1.00 74.34 C ATOM 1012 CG HIS A 66 -16.540 2.732 -12.230 1.00 70.44 C ATOM 1013 ND1 HIS A 66 -16.070 2.680 -13.522 1.00 41.43 N ATOM 1014 CD2 HIS A 66 -16.132 3.919 -11.731 1.00 3.21 C ATOM 1015 CE1 HIS A 66 -15.407 3.789 -13.790 1.00 11.33 C ATOM 1016 NE2 HIS A 66 -15.431 4.562 -12.720 1.00 2.12 N ATOM 0 H HIS A 66 -18.425 2.091 -9.273 1.00 45.31 H new ATOM 0 HA HIS A 66 -19.100 2.761 -12.051 1.00 31.14 H new ATOM 0 HB2 HIS A 66 -16.859 1.328 -10.681 1.00 74.34 H new ATOM 0 HB3 HIS A 66 -17.316 0.765 -12.277 1.00 74.34 H new ATOM 0 HD1 HIS A 66 -16.212 1.906 -14.171 1.00 41.43 H new ATOM 0 HD2 HIS A 66 -16.323 4.293 -10.736 1.00 3.21 H new ATOM 0 HE1 HIS A 66 -14.925 4.025 -14.728 1.00 11.33 H new ATOM 1025 N HIS A 67 -20.843 0.977 -12.064 1.00 40.34 N ATOM 1026 CA HIS A 67 -21.758 -0.118 -12.316 1.00 5.00 C ATOM 1027 C HIS A 67 -21.267 -0.891 -13.532 1.00 11.01 C ATOM 1028 O HIS A 67 -20.867 -0.283 -14.526 1.00 73.52 O ATOM 1029 CB HIS A 67 -23.177 0.414 -12.553 1.00 2.30 C ATOM 1030 CG HIS A 67 -24.231 -0.653 -12.637 1.00 64.53 C ATOM 1031 ND1 HIS A 67 -25.117 -0.911 -11.618 1.00 23.00 N ATOM 1032 CD2 HIS A 67 -24.542 -1.526 -13.628 1.00 25.32 C ATOM 1033 CE1 HIS A 67 -25.924 -1.893 -11.973 1.00 43.32 C ATOM 1034 NE2 HIS A 67 -25.596 -2.288 -13.189 1.00 22.02 N ATOM 0 H HIS A 67 -21.179 1.889 -12.373 1.00 40.34 H new ATOM 0 HA HIS A 67 -21.790 -0.779 -11.450 1.00 5.00 H new ATOM 0 HB2 HIS A 67 -23.435 1.100 -11.746 1.00 2.30 H new ATOM 0 HB3 HIS A 67 -23.186 0.991 -13.478 1.00 2.30 H new ATOM 0 HD2 HIS A 67 -24.051 -1.607 -14.586 1.00 25.32 H new ATOM 0 HE1 HIS A 67 -26.720 -2.305 -11.370 1.00 43.32 H new ATOM 0 HE2 HIS A 67 -26.050 -3.035 -13.715 1.00 22.02 H new ATOM 1043 N HIS A 68 -21.241 -2.222 -13.428 1.00 21.43 N ATOM 1044 CA HIS A 68 -20.856 -3.084 -14.552 1.00 63.52 C ATOM 1045 C HIS A 68 -19.349 -2.965 -14.836 1.00 4.41 C ATOM 1046 O HIS A 68 -18.857 -3.455 -15.854 1.00 43.41 O ATOM 1047 CB HIS A 68 -21.691 -2.715 -15.797 1.00 55.52 C ATOM 1048 CG HIS A 68 -21.435 -3.556 -17.012 1.00 3.15 C ATOM 1049 ND1 HIS A 68 -20.818 -3.068 -18.145 1.00 55.50 N ATOM 1050 CD2 HIS A 68 -21.727 -4.852 -17.275 1.00 34.32 C ATOM 1051 CE1 HIS A 68 -20.746 -4.024 -19.049 1.00 55.20 C ATOM 1052 NE2 HIS A 68 -21.289 -5.115 -18.547 1.00 32.21 N ATOM 0 H HIS A 68 -21.482 -2.728 -12.576 1.00 21.43 H new ATOM 0 HA HIS A 68 -21.059 -4.123 -14.293 1.00 63.52 H new ATOM 0 HB2 HIS A 68 -22.748 -2.789 -15.540 1.00 55.52 H new ATOM 0 HB3 HIS A 68 -21.496 -1.673 -16.049 1.00 55.52 H new ATOM 0 HD1 HIS A 68 -20.472 -2.116 -18.264 1.00 55.50 H new ATOM 0 HD2 HIS A 68 -22.214 -5.548 -16.608 1.00 34.32 H new ATOM 0 HE1 HIS A 68 -20.315 -3.930 -20.035 1.00 55.20 H new ATOM 1061 N HIS A 69 -18.621 -2.346 -13.897 1.00 73.23 N ATOM 1062 CA HIS A 69 -17.195 -2.019 -14.066 1.00 73.31 C ATOM 1063 C HIS A 69 -17.026 -0.907 -15.099 1.00 50.23 C ATOM 1064 O HIS A 69 -16.598 0.201 -14.770 1.00 13.12 O ATOM 1065 CB HIS A 69 -16.355 -3.244 -14.477 1.00 51.12 C ATOM 1066 CG HIS A 69 -16.150 -4.252 -13.384 1.00 32.34 C ATOM 1067 ND1 HIS A 69 -14.958 -4.397 -12.708 1.00 11.12 N ATOM 1068 CD2 HIS A 69 -16.984 -5.187 -12.871 1.00 21.21 C ATOM 1069 CE1 HIS A 69 -15.069 -5.373 -11.829 1.00 74.10 C ATOM 1070 NE2 HIS A 69 -16.289 -5.871 -11.905 1.00 52.45 N ATOM 0 H HIS A 69 -19.003 -2.057 -12.997 1.00 73.23 H new ATOM 0 HA HIS A 69 -16.829 -1.681 -13.096 1.00 73.31 H new ATOM 0 HB2 HIS A 69 -16.840 -3.735 -15.321 1.00 51.12 H new ATOM 0 HB3 HIS A 69 -15.381 -2.901 -14.825 1.00 51.12 H new ATOM 0 HD2 HIS A 69 -18.008 -5.362 -13.167 1.00 21.21 H new ATOM 0 HE1 HIS A 69 -14.292 -5.709 -11.159 1.00 74.10 H new ATOM 0 HE2 HIS A 69 -16.655 -6.637 -11.340 1.00 52.45 H new ATOM 1079 N HIS A 70 -17.367 -1.215 -16.344 1.00 11.05 N ATOM 1080 CA HIS A 70 -17.341 -0.244 -17.426 1.00 31.44 C ATOM 1081 C HIS A 70 -18.328 -0.659 -18.518 1.00 61.31 C ATOM 1082 O HIS A 70 -19.546 -0.671 -18.233 1.00 37.25 O ATOM 1083 CB HIS A 70 -15.916 -0.078 -17.992 1.00 64.01 C ATOM 1084 CG HIS A 70 -15.210 -1.363 -18.346 1.00 54.11 C ATOM 1085 ND1 HIS A 70 -15.500 -2.102 -19.470 1.00 11.21 N ATOM 1086 CD2 HIS A 70 -14.204 -2.023 -17.720 1.00 70.11 C ATOM 1087 CE1 HIS A 70 -14.707 -3.156 -19.524 1.00 24.53 C ATOM 1088 NE2 HIS A 70 -13.908 -3.131 -18.474 1.00 62.14 N ATOM 1089 OXT HIS A 70 -17.897 -0.971 -19.644 1.00 37.25 O ATOM 0 H HIS A 70 -17.669 -2.146 -16.630 1.00 11.05 H new ATOM 0 HA HIS A 70 -17.645 0.726 -17.033 1.00 31.44 H new ATOM 0 HB2 HIS A 70 -15.967 0.547 -18.884 1.00 64.01 H new ATOM 0 HB3 HIS A 70 -15.312 0.459 -17.261 1.00 64.01 H new ATOM 0 HD1 HIS A 70 -16.218 -1.871 -20.157 1.00 11.21 H new ATOM 0 HD2 HIS A 70 -13.724 -1.730 -16.798 1.00 70.11 H new ATOM 0 HE1 HIS A 70 -14.711 -3.911 -20.296 1.00 24.53 H new TER 1098 HIS A 70