USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 40 TYR OH : rot -130:sc= -0.263 USER MOD Set 1.2: A 43 GLN : amide:sc= -0.836 X(o=-1.1,f=-0.98!) USER MOD Single : A 11 ASN : amide:sc= -3.1! C(o=-3.1!,f=-2.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.619 USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= -0.35 (180deg=-2.59!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.027) USER MOD Single : A 46 GLN : amide:sc= 0.0113 X(o=0.011,f=-0.18) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 69:sc= -1.95 USER MOD Single : A 70 ASN : amide:sc= -5.3! C(o=-5.3!,f=-7!) USER MOD Single : A 73 ASN : amide:sc= -0.62 X(o=-0.62,f=-0.65) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 105:sc= 1.92 USER MOD Single : A 81 ASN : amide:sc= -0.0546 K(o=-0.055,f=-1.6!) USER MOD Single : A 82 TYR OH : rot 100:sc= 1.25 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.869 -3.068 12.470 1.00 71.43 N ATOM 74 CA ARG A 5 -7.780 -2.194 12.052 1.00 63.24 C ATOM 75 C ARG A 5 -6.701 -2.984 11.314 1.00 10.34 C ATOM 76 O ARG A 5 -6.309 -4.076 11.723 1.00 33.51 O ATOM 77 CB ARG A 5 -7.169 -1.489 13.266 1.00 14.43 C ATOM 78 CG ARG A 5 -6.564 -0.133 12.941 1.00 52.24 C ATOM 79 CD ARG A 5 -7.622 0.851 12.467 1.00 20.40 C ATOM 80 NE ARG A 5 -7.083 2.199 12.310 1.00 75.44 N ATOM 81 CZ ARG A 5 -6.818 3.008 13.330 1.00 71.54 C ATOM 82 NH1 ARG A 5 -7.040 2.606 14.573 1.00 50.02 N ATOM 83 NH2 ARG A 5 -6.329 4.221 13.106 1.00 15.25 N ATOM 0 HA ARG A 5 -8.188 -1.446 11.372 1.00 63.24 H new ATOM 0 HB2 ARG A 5 -7.939 -1.361 14.027 1.00 14.43 H new ATOM 0 HB3 ARG A 5 -6.398 -2.128 13.697 1.00 14.43 H new ATOM 0 HG2 ARG A 5 -6.065 0.265 13.825 1.00 52.24 H new ATOM 0 HG3 ARG A 5 -5.802 -0.249 12.170 1.00 52.24 H new ATOM 0 HD2 ARG A 5 -8.033 0.512 11.516 1.00 20.40 H new ATOM 0 HD3 ARG A 5 -8.445 0.870 13.181 1.00 20.40 H new ATOM 0 HE ARG A 5 -6.900 2.538 11.366 1.00 75.44 H new ATOM 0 HH11 ARG A 5 -7.415 1.674 14.748 1.00 50.02 H new ATOM 0 HH12 ARG A 5 -6.836 3.229 15.355 1.00 50.02 H new ATOM 0 HH21 ARG A 5 -6.156 4.533 12.150 1.00 15.25 H new ATOM 0 HH22 ARG A 5 -6.126 4.842 13.890 1.00 15.25 H new ATOM 97 N PRO A 6 -6.212 -2.418 10.201 1.00 11.41 N ATOM 98 CA PRO A 6 -5.174 -3.052 9.382 1.00 23.51 C ATOM 99 C PRO A 6 -3.820 -3.077 10.082 1.00 23.32 C ATOM 100 O PRO A 6 -3.607 -2.416 11.099 1.00 44.13 O ATOM 101 CB PRO A 6 -5.115 -2.165 8.135 1.00 22.20 C ATOM 102 CG PRO A 6 -5.609 -0.835 8.592 1.00 61.30 C ATOM 103 CD PRO A 6 -6.634 -1.117 9.655 1.00 32.13 C ATOM 0 HA PRO A 6 -5.404 -4.096 9.169 1.00 23.51 H new ATOM 0 HB2 PRO A 6 -4.099 -2.097 7.745 1.00 22.20 H new ATOM 0 HB3 PRO A 6 -5.738 -2.565 7.335 1.00 22.20 H new ATOM 0 HG2 PRO A 6 -4.793 -0.230 8.988 1.00 61.30 H new ATOM 0 HG3 PRO A 6 -6.048 -0.276 7.765 1.00 61.30 H new ATOM 0 HD2 PRO A 6 -6.641 -0.343 10.422 1.00 32.13 H new ATOM 0 HD3 PRO A 6 -7.641 -1.163 9.240 1.00 32.13 H new ATOM 111 N PRO A 7 -2.881 -3.858 9.528 1.00 60.11 N ATOM 112 CA PRO A 7 -1.530 -3.987 10.083 1.00 60.05 C ATOM 113 C PRO A 7 -0.709 -2.713 9.913 1.00 30.52 C ATOM 114 O PRO A 7 -1.086 -1.795 9.185 1.00 75.23 O ATOM 115 CB PRO A 7 -0.919 -5.129 9.266 1.00 54.42 C ATOM 116 CG PRO A 7 -1.669 -5.117 7.978 1.00 0.00 C ATOM 117 CD PRO A 7 -3.065 -4.674 8.316 1.00 52.13 C ATOM 0 HA PRO A 7 -1.547 -4.173 11.157 1.00 60.05 H new ATOM 0 HB2 PRO A 7 0.148 -4.974 9.104 1.00 54.42 H new ATOM 0 HB3 PRO A 7 -1.028 -6.085 9.779 1.00 54.42 H new ATOM 0 HG2 PRO A 7 -1.206 -4.437 7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.674 -6.106 7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.510 -4.096 7.506 1.00 52.13 H new ATOM 0 HD3 PRO A 7 -3.723 -5.524 8.500 1.00 52.13 H new ATOM 125 N PRO A 8 0.440 -2.652 10.603 1.00 53.01 N ATOM 126 CA PRO A 8 1.338 -1.496 10.544 1.00 23.21 C ATOM 127 C PRO A 8 2.028 -1.366 9.190 1.00 22.10 C ATOM 128 O PRO A 8 1.900 -2.238 8.331 1.00 51.14 O ATOM 129 CB PRO A 8 2.364 -1.788 11.641 1.00 4.12 C ATOM 130 CG PRO A 8 2.360 -3.270 11.779 1.00 64.20 C ATOM 131 CD PRO A 8 0.952 -3.711 11.491 1.00 22.14 C ATOM 0 HA PRO A 8 0.803 -0.557 10.681 1.00 23.21 H new ATOM 0 HB2 PRO A 8 3.352 -1.419 11.367 1.00 4.12 H new ATOM 0 HB3 PRO A 8 2.091 -1.303 12.578 1.00 4.12 H new ATOM 0 HG2 PRO A 8 3.062 -3.728 11.083 1.00 64.20 H new ATOM 0 HG3 PRO A 8 2.665 -3.569 12.782 1.00 64.20 H new ATOM 0 HD2 PRO A 8 0.927 -4.688 11.008 1.00 22.14 H new ATOM 0 HD3 PRO A 8 0.361 -3.792 12.403 1.00 22.14 H new ATOM 139 N VAL A 9 2.760 -0.272 9.008 1.00 50.53 N ATOM 140 CA VAL A 9 3.473 -0.028 7.759 1.00 55.21 C ATOM 141 C VAL A 9 4.414 -1.180 7.429 1.00 40.12 C ATOM 142 O VAL A 9 5.010 -1.799 8.311 1.00 45.34 O ATOM 143 CB VAL A 9 4.283 1.281 7.820 1.00 35.32 C ATOM 144 CG1 VAL A 9 3.367 2.484 7.653 1.00 52.14 C ATOM 145 CG2 VAL A 9 5.056 1.367 9.127 1.00 44.20 C ATOM 0 H VAL A 9 2.875 0.460 9.709 1.00 50.53 H new ATOM 0 HA VAL A 9 2.719 0.057 6.977 1.00 55.21 H new ATOM 0 HB VAL A 9 5.000 1.284 6.999 1.00 35.32 H new ATOM 0 HG11 VAL A 9 3.957 3.400 7.699 1.00 52.14 H new ATOM 0 HG12 VAL A 9 2.862 2.426 6.689 1.00 52.14 H new ATOM 0 HG13 VAL A 9 2.625 2.490 8.452 1.00 52.14 H new ATOM 0 HG21 VAL A 9 5.623 2.298 9.154 1.00 44.20 H new ATOM 0 HG22 VAL A 9 4.359 1.342 9.964 1.00 44.20 H new ATOM 0 HG23 VAL A 9 5.741 0.523 9.201 1.00 44.20 H new ATOM 155 N PRO A 10 4.554 -1.477 6.129 1.00 73.41 N ATOM 156 CA PRO A 10 5.424 -2.558 5.651 1.00 35.23 C ATOM 157 C PRO A 10 6.901 -2.235 5.838 1.00 61.42 C ATOM 158 O PRO A 10 7.614 -1.965 4.871 1.00 24.34 O ATOM 159 CB PRO A 10 5.081 -2.657 4.164 1.00 52.03 C ATOM 160 CG PRO A 10 4.573 -1.306 3.800 1.00 1.51 C ATOM 161 CD PRO A 10 3.874 -0.782 5.023 1.00 45.14 C ATOM 0 HA PRO A 10 5.264 -3.485 6.201 1.00 35.23 H new ATOM 0 HB2 PRO A 10 5.957 -2.923 3.573 1.00 52.03 H new ATOM 0 HB3 PRO A 10 4.329 -3.425 3.982 1.00 52.03 H new ATOM 0 HG2 PRO A 10 5.391 -0.648 3.506 1.00 1.51 H new ATOM 0 HG3 PRO A 10 3.889 -1.362 2.953 1.00 1.51 H new ATOM 0 HD2 PRO A 10 3.971 0.300 5.108 1.00 45.14 H new ATOM 0 HD3 PRO A 10 2.807 -1.006 5.003 1.00 45.14 H new ATOM 169 N ASN A 11 7.358 -2.268 7.085 1.00 74.51 N ATOM 170 CA ASN A 11 8.754 -1.981 7.399 1.00 13.54 C ATOM 171 C ASN A 11 9.283 -0.848 6.524 1.00 54.41 C ATOM 172 O ASN A 11 9.907 -1.071 5.486 1.00 2.04 O ATOM 173 CB ASN A 11 9.610 -3.233 7.204 1.00 33.31 C ATOM 174 CG ASN A 11 9.399 -3.873 5.847 1.00 63.44 C ATOM 175 OD1 ASN A 11 10.120 -3.582 4.892 1.00 52.41 O ATOM 176 ND2 ASN A 11 8.409 -4.753 5.754 1.00 11.34 N ATOM 0 H ASN A 11 6.781 -2.491 7.896 1.00 74.51 H new ATOM 0 HA ASN A 11 8.811 -1.670 8.442 1.00 13.54 H new ATOM 0 HB2 ASN A 11 10.662 -2.972 7.320 1.00 33.31 H new ATOM 0 HB3 ASN A 11 9.373 -3.956 7.984 1.00 33.31 H new ATOM 0 HD21 ASN A 11 8.221 -5.218 4.866 1.00 11.34 H new ATOM 0 HD22 ASN A 11 7.836 -4.964 6.571 1.00 11.34 H new ATOM 183 N PRO A 12 9.030 0.398 6.951 1.00 52.22 N ATOM 184 CA PRO A 12 9.474 1.590 6.223 1.00 0.45 C ATOM 185 C PRO A 12 10.987 1.774 6.279 1.00 55.51 C ATOM 186 O PRO A 12 11.603 1.617 7.332 1.00 23.01 O ATOM 187 CB PRO A 12 8.770 2.736 6.955 1.00 11.01 C ATOM 188 CG PRO A 12 8.530 2.216 8.331 1.00 53.05 C ATOM 189 CD PRO A 12 8.292 0.739 8.179 1.00 71.33 C ATOM 0 HA PRO A 12 9.233 1.532 5.162 1.00 0.45 H new ATOM 0 HB2 PRO A 12 9.389 3.633 6.973 1.00 11.01 H new ATOM 0 HB3 PRO A 12 7.834 3.004 6.464 1.00 11.01 H new ATOM 0 HG2 PRO A 12 9.387 2.409 8.976 1.00 53.05 H new ATOM 0 HG3 PRO A 12 7.670 2.705 8.789 1.00 53.05 H new ATOM 0 HD2 PRO A 12 8.664 0.182 9.039 1.00 71.33 H new ATOM 0 HD3 PRO A 12 7.230 0.511 8.086 1.00 71.33 H new ATOM 197 N ASP A 13 11.579 2.106 5.137 1.00 73.43 N ATOM 198 CA ASP A 13 13.022 2.312 5.056 1.00 35.12 C ATOM 199 C ASP A 13 13.342 3.663 4.425 1.00 12.23 C ATOM 200 O ASP A 13 14.322 3.801 3.694 1.00 52.51 O ATOM 201 CB ASP A 13 13.673 1.190 4.246 1.00 5.21 C ATOM 202 CG ASP A 13 15.165 1.088 4.496 1.00 61.12 C ATOM 203 OD1 ASP A 13 15.594 1.338 5.642 1.00 14.54 O ATOM 204 OD2 ASP A 13 15.904 0.758 3.546 1.00 22.01 O ATOM 0 H ASP A 13 11.084 2.238 4.255 1.00 73.43 H new ATOM 0 HA ASP A 13 13.425 2.299 6.069 1.00 35.12 H new ATOM 0 HB2 ASP A 13 13.199 0.241 4.498 1.00 5.21 H new ATOM 0 HB3 ASP A 13 13.496 1.362 3.184 1.00 5.21 H new ATOM 210 N TYR A 14 12.509 4.657 4.713 1.00 65.11 N ATOM 211 CA TYR A 14 12.702 5.997 4.172 1.00 15.43 C ATOM 212 C TYR A 14 13.844 6.714 4.885 1.00 55.51 C ATOM 213 O TYR A 14 14.396 7.688 4.373 1.00 65.22 O ATOM 214 CB TYR A 14 11.414 6.812 4.300 1.00 51.13 C ATOM 215 CG TYR A 14 10.845 6.829 5.701 1.00 62.01 C ATOM 216 CD1 TYR A 14 11.489 7.513 6.724 1.00 31.52 C ATOM 217 CD2 TYR A 14 9.664 6.162 6.001 1.00 33.11 C ATOM 218 CE1 TYR A 14 10.974 7.531 8.006 1.00 73.35 C ATOM 219 CE2 TYR A 14 9.141 6.175 7.278 1.00 20.41 C ATOM 220 CZ TYR A 14 9.800 6.860 8.278 1.00 34.44 C ATOM 221 OH TYR A 14 9.282 6.877 9.553 1.00 54.21 O ATOM 0 H TYR A 14 11.694 4.560 5.318 1.00 65.11 H new ATOM 0 HA TYR A 14 12.960 5.901 3.117 1.00 15.43 H new ATOM 0 HB2 TYR A 14 11.609 7.837 3.984 1.00 51.13 H new ATOM 0 HB3 TYR A 14 10.667 6.405 3.618 1.00 51.13 H new ATOM 0 HD1 TYR A 14 12.408 8.040 6.514 1.00 31.52 H new ATOM 0 HD2 TYR A 14 9.146 5.624 5.221 1.00 33.11 H new ATOM 0 HE1 TYR A 14 11.488 8.067 8.790 1.00 73.35 H new ATOM 0 HE2 TYR A 14 8.221 5.652 7.493 1.00 20.41 H new ATOM 0 HH TYR A 14 8.451 6.358 9.576 1.00 54.21 H new ATOM 491 N GLU A 31 4.380 8.098 -16.565 1.00 63.44 N ATOM 492 CA GLU A 31 3.054 8.641 -16.303 1.00 1.02 C ATOM 493 C GLU A 31 2.171 7.611 -15.606 1.00 12.01 C ATOM 494 O GLU A 31 1.232 7.079 -16.199 1.00 42.10 O ATOM 495 CB GLU A 31 2.397 9.094 -17.609 1.00 62.21 C ATOM 496 CG GLU A 31 3.200 10.139 -18.364 1.00 60.12 C ATOM 497 CD GLU A 31 3.212 11.484 -17.665 1.00 55.52 C ATOM 498 OE1 GLU A 31 2.288 11.747 -16.867 1.00 55.31 O ATOM 499 OE2 GLU A 31 4.146 12.275 -17.915 1.00 71.14 O ATOM 0 HA GLU A 31 3.166 9.502 -15.644 1.00 1.02 H new ATOM 0 HB2 GLU A 31 2.250 8.226 -18.252 1.00 62.21 H new ATOM 0 HB3 GLU A 31 1.409 9.497 -17.388 1.00 62.21 H new ATOM 0 HG2 GLU A 31 4.225 9.787 -18.484 1.00 60.12 H new ATOM 0 HG3 GLU A 31 2.784 10.258 -19.365 1.00 60.12 H new ATOM 506 N VAL A 32 2.479 7.333 -14.344 1.00 62.52 N ATOM 507 CA VAL A 32 1.715 6.365 -13.565 1.00 10.24 C ATOM 508 C VAL A 32 0.880 7.059 -12.494 1.00 31.15 C ATOM 509 O VAL A 32 1.190 8.176 -12.077 1.00 31.30 O ATOM 510 CB VAL A 32 2.636 5.331 -12.891 1.00 53.51 C ATOM 511 CG1 VAL A 32 1.826 4.160 -12.361 1.00 61.31 C ATOM 512 CG2 VAL A 32 3.704 4.855 -13.866 1.00 2.34 C ATOM 0 H VAL A 32 3.253 7.764 -13.838 1.00 62.52 H new ATOM 0 HA VAL A 32 1.054 5.850 -14.262 1.00 10.24 H new ATOM 0 HB VAL A 32 3.134 5.808 -12.047 1.00 53.51 H new ATOM 0 HG11 VAL A 32 2.494 3.440 -11.888 1.00 61.31 H new ATOM 0 HG12 VAL A 32 1.103 4.519 -11.629 1.00 61.31 H new ATOM 0 HG13 VAL A 32 1.299 3.679 -13.185 1.00 61.31 H new ATOM 0 HG21 VAL A 32 4.346 4.125 -13.374 1.00 2.34 H new ATOM 0 HG22 VAL A 32 3.227 4.394 -14.731 1.00 2.34 H new ATOM 0 HG23 VAL A 32 4.304 5.705 -14.192 1.00 2.34 H new ATOM 522 N ILE A 33 -0.181 6.392 -12.054 1.00 71.32 N ATOM 523 CA ILE A 33 -1.060 6.944 -11.030 1.00 64.04 C ATOM 524 C ILE A 33 -1.552 5.855 -10.082 1.00 71.31 C ATOM 525 O ILE A 33 -1.966 4.779 -10.516 1.00 33.23 O ATOM 526 CB ILE A 33 -2.276 7.652 -11.655 1.00 2.42 C ATOM 527 CG1 ILE A 33 -1.832 8.916 -12.393 1.00 1.22 C ATOM 528 CG2 ILE A 33 -3.301 7.991 -10.581 1.00 40.44 C ATOM 529 CD1 ILE A 33 -2.953 9.602 -13.144 1.00 32.02 C ATOM 0 H ILE A 33 -0.453 5.468 -12.390 1.00 71.32 H new ATOM 0 HA ILE A 33 -0.474 7.672 -10.470 1.00 64.04 H new ATOM 0 HB ILE A 33 -2.742 6.978 -12.374 1.00 2.42 H new ATOM 0 HG12 ILE A 33 -1.405 9.616 -11.674 1.00 1.22 H new ATOM 0 HG13 ILE A 33 -1.040 8.658 -13.095 1.00 1.22 H new ATOM 0 HG21 ILE A 33 -4.155 8.491 -11.038 1.00 40.44 H new ATOM 0 HG22 ILE A 33 -3.635 7.075 -10.094 1.00 40.44 H new ATOM 0 HG23 ILE A 33 -2.848 8.650 -9.841 1.00 40.44 H new ATOM 0 HD11 ILE A 33 -2.566 10.490 -13.643 1.00 32.02 H new ATOM 0 HD12 ILE A 33 -3.365 8.919 -13.887 1.00 32.02 H new ATOM 0 HD13 ILE A 33 -3.736 9.892 -12.444 1.00 32.02 H new ATOM 541 N VAL A 34 -1.505 6.141 -8.785 1.00 43.32 N ATOM 542 CA VAL A 34 -1.947 5.187 -7.775 1.00 15.53 C ATOM 543 C VAL A 34 -3.106 5.751 -6.959 1.00 70.43 C ATOM 544 O VAL A 34 -3.335 6.961 -6.940 1.00 65.14 O ATOM 545 CB VAL A 34 -0.800 4.804 -6.822 1.00 11.25 C ATOM 546 CG1 VAL A 34 -0.540 5.923 -5.824 1.00 24.12 C ATOM 547 CG2 VAL A 34 -1.116 3.501 -6.104 1.00 30.20 C ATOM 0 H VAL A 34 -1.165 7.026 -8.409 1.00 43.32 H new ATOM 0 HA VAL A 34 -2.279 4.295 -8.306 1.00 15.53 H new ATOM 0 HB VAL A 34 0.105 4.657 -7.411 1.00 11.25 H new ATOM 0 HG11 VAL A 34 0.274 5.635 -5.158 1.00 24.12 H new ATOM 0 HG12 VAL A 34 -0.266 6.832 -6.360 1.00 24.12 H new ATOM 0 HG13 VAL A 34 -1.441 6.105 -5.238 1.00 24.12 H new ATOM 0 HG21 VAL A 34 -0.294 3.246 -5.435 1.00 30.20 H new ATOM 0 HG22 VAL A 34 -2.032 3.617 -5.526 1.00 30.20 H new ATOM 0 HG23 VAL A 34 -1.248 2.705 -6.836 1.00 30.20 H new ATOM 557 N ILE A 35 -3.833 4.866 -6.284 1.00 42.33 N ATOM 558 CA ILE A 35 -4.967 5.275 -5.465 1.00 10.42 C ATOM 559 C ILE A 35 -4.863 4.698 -4.057 1.00 11.43 C ATOM 560 O ILE A 35 -4.711 3.491 -3.879 1.00 43.54 O ATOM 561 CB ILE A 35 -6.303 4.835 -6.092 1.00 64.35 C ATOM 562 CG1 ILE A 35 -6.465 5.448 -7.484 1.00 73.21 C ATOM 563 CG2 ILE A 35 -7.464 5.231 -5.193 1.00 32.32 C ATOM 564 CD1 ILE A 35 -7.766 5.075 -8.160 1.00 23.42 C ATOM 0 H ILE A 35 -3.656 3.861 -6.289 1.00 42.33 H new ATOM 0 HA ILE A 35 -4.943 6.363 -5.412 1.00 10.42 H new ATOM 0 HB ILE A 35 -6.301 3.750 -6.193 1.00 64.35 H new ATOM 0 HG12 ILE A 35 -6.405 6.533 -7.404 1.00 73.21 H new ATOM 0 HG13 ILE A 35 -5.634 5.128 -8.112 1.00 73.21 H new ATOM 0 HG21 ILE A 35 -8.402 4.914 -5.649 1.00 32.32 H new ATOM 0 HG22 ILE A 35 -7.352 4.750 -4.221 1.00 32.32 H new ATOM 0 HG23 ILE A 35 -7.471 6.313 -5.064 1.00 32.32 H new ATOM 0 HD11 ILE A 35 -7.813 5.545 -9.143 1.00 23.42 H new ATOM 0 HD12 ILE A 35 -7.820 3.992 -8.272 1.00 23.42 H new ATOM 0 HD13 ILE A 35 -8.603 5.419 -7.553 1.00 23.42 H new ATOM 576 N ALA A 36 -4.949 5.571 -3.059 1.00 31.43 N ATOM 577 CA ALA A 36 -4.870 5.148 -1.665 1.00 45.31 C ATOM 578 C ALA A 36 -6.102 4.343 -1.265 1.00 61.12 C ATOM 579 O ALA A 36 -7.210 4.876 -1.198 1.00 51.41 O ATOM 580 CB ALA A 36 -4.707 6.357 -0.756 1.00 14.12 C ATOM 0 H ALA A 36 -5.073 6.575 -3.189 1.00 31.43 H new ATOM 0 HA ALA A 36 -3.997 4.504 -1.554 1.00 45.31 H new ATOM 0 HB1 ALA A 36 -4.649 6.027 0.281 1.00 14.12 H new ATOM 0 HB2 ALA A 36 -3.793 6.889 -1.019 1.00 14.12 H new ATOM 0 HB3 ALA A 36 -5.562 7.022 -0.878 1.00 14.12 H new ATOM 586 N LYS A 37 -5.900 3.057 -1.000 1.00 32.43 N ATOM 587 CA LYS A 37 -6.994 2.178 -0.604 1.00 31.01 C ATOM 588 C LYS A 37 -7.805 2.794 0.531 1.00 64.23 C ATOM 589 O LYS A 37 -9.022 2.626 0.600 1.00 63.20 O ATOM 590 CB LYS A 37 -6.449 0.813 -0.176 1.00 33.54 C ATOM 591 CG LYS A 37 -5.680 0.094 -1.269 1.00 61.12 C ATOM 592 CD LYS A 37 -5.456 -1.368 -0.924 1.00 71.03 C ATOM 593 CE LYS A 37 -3.994 -1.651 -0.616 1.00 1.33 C ATOM 594 NZ LYS A 37 -3.350 -2.464 -1.684 1.00 41.54 N ATOM 0 H LYS A 37 -4.989 2.600 -1.052 1.00 32.43 H new ATOM 0 HA LYS A 37 -7.651 2.046 -1.464 1.00 31.01 H new ATOM 0 HB2 LYS A 37 -5.797 0.946 0.687 1.00 33.54 H new ATOM 0 HB3 LYS A 37 -7.279 0.185 0.146 1.00 33.54 H new ATOM 0 HG2 LYS A 37 -6.228 0.167 -2.209 1.00 61.12 H new ATOM 0 HG3 LYS A 37 -4.718 0.584 -1.421 1.00 61.12 H new ATOM 0 HD2 LYS A 37 -6.069 -1.638 -0.064 1.00 71.03 H new ATOM 0 HD3 LYS A 37 -5.781 -1.993 -1.756 1.00 71.03 H new ATOM 0 HE2 LYS A 37 -3.458 -0.709 -0.503 1.00 1.33 H new ATOM 0 HE3 LYS A 37 -3.918 -2.177 0.336 1.00 1.33 H new ATOM 0 HZ1 LYS A 37 -2.631 -3.086 -1.261 1.00 41.54 H new ATOM 0 HZ2 LYS A 37 -4.070 -3.042 -2.162 1.00 41.54 H new ATOM 0 HZ3 LYS A 37 -2.898 -1.833 -2.376 1.00 41.54 H new ATOM 608 N TRP A 38 -7.121 3.507 1.420 1.00 34.31 N ATOM 609 CA TRP A 38 -7.780 4.148 2.553 1.00 2.35 C ATOM 610 C TRP A 38 -7.002 5.377 3.010 1.00 45.43 C ATOM 611 O TRP A 38 -5.861 5.589 2.598 1.00 4.13 O ATOM 612 CB TRP A 38 -7.924 3.162 3.712 1.00 34.50 C ATOM 613 CG TRP A 38 -7.366 1.805 3.409 1.00 72.44 C ATOM 614 CD1 TRP A 38 -6.066 1.406 3.536 1.00 30.51 C ATOM 615 CD2 TRP A 38 -8.091 0.668 2.926 1.00 63.43 C ATOM 616 NE1 TRP A 38 -5.938 0.090 3.162 1.00 33.31 N ATOM 617 CE2 TRP A 38 -7.166 -0.385 2.784 1.00 32.30 C ATOM 618 CE3 TRP A 38 -9.430 0.436 2.603 1.00 1.24 C ATOM 619 CZ2 TRP A 38 -7.541 -1.648 2.332 1.00 11.32 C ATOM 620 CZ3 TRP A 38 -9.800 -0.817 2.152 1.00 62.31 C ATOM 621 CH2 TRP A 38 -8.859 -1.846 2.022 1.00 12.20 C ATOM 0 H TRP A 38 -6.113 3.655 1.378 1.00 34.31 H new ATOM 0 HA TRP A 38 -8.772 4.466 2.231 1.00 2.35 H new ATOM 0 HB2 TRP A 38 -7.419 3.567 4.589 1.00 34.50 H new ATOM 0 HB3 TRP A 38 -8.979 3.064 3.968 1.00 34.50 H new ATOM 0 HD1 TRP A 38 -5.257 2.033 3.880 1.00 30.51 H new ATOM 0 HE1 TRP A 38 -5.070 -0.446 3.165 1.00 33.31 H new ATOM 0 HE3 TRP A 38 -10.164 1.222 2.704 1.00 1.24 H new ATOM 0 HZ2 TRP A 38 -6.817 -2.443 2.230 1.00 11.32 H new ATOM 0 HZ3 TRP A 38 -10.832 -1.006 1.896 1.00 62.31 H new ATOM 0 HH2 TRP A 38 -9.180 -2.815 1.670 1.00 12.20 H new ATOM 632 N ASP A 39 -7.625 6.185 3.861 1.00 73.23 N ATOM 633 CA ASP A 39 -6.988 7.392 4.373 1.00 21.35 C ATOM 634 C ASP A 39 -5.702 7.054 5.119 1.00 71.03 C ATOM 635 O ASP A 39 -5.667 6.131 5.932 1.00 71.41 O ATOM 636 CB ASP A 39 -7.946 8.144 5.300 1.00 3.01 C ATOM 637 CG ASP A 39 -8.738 7.211 6.195 1.00 73.23 C ATOM 638 OD1 ASP A 39 -8.111 6.441 6.952 1.00 54.01 O ATOM 639 OD2 ASP A 39 -9.986 7.252 6.138 1.00 63.45 O ATOM 0 H ASP A 39 -8.570 6.026 4.210 1.00 73.23 H new ATOM 0 HA ASP A 39 -6.738 8.029 3.525 1.00 21.35 H new ATOM 0 HB2 ASP A 39 -7.378 8.840 5.918 1.00 3.01 H new ATOM 0 HB3 ASP A 39 -8.635 8.739 4.700 1.00 3.01 H new ATOM 645 N TYR A 40 -4.645 7.808 4.834 1.00 63.42 N ATOM 646 CA TYR A 40 -3.353 7.585 5.474 1.00 20.43 C ATOM 647 C TYR A 40 -2.894 8.834 6.223 1.00 61.14 C ATOM 648 O TYR A 40 -2.932 9.942 5.689 1.00 50.41 O ATOM 649 CB TYR A 40 -2.306 7.187 4.433 1.00 74.12 C ATOM 650 CG TYR A 40 -0.890 7.195 4.964 1.00 34.52 C ATOM 651 CD1 TYR A 40 -0.434 6.176 5.792 1.00 2.22 C ATOM 652 CD2 TYR A 40 -0.011 8.220 4.641 1.00 40.23 C ATOM 653 CE1 TYR A 40 0.859 6.178 6.280 1.00 14.12 C ATOM 654 CE2 TYR A 40 1.284 8.230 5.124 1.00 54.33 C ATOM 655 CZ TYR A 40 1.714 7.207 5.942 1.00 11.13 C ATOM 656 OH TYR A 40 3.001 7.214 6.427 1.00 44.03 O ATOM 0 H TYR A 40 -4.657 8.578 4.165 1.00 63.42 H new ATOM 0 HA TYR A 40 -3.467 6.773 6.192 1.00 20.43 H new ATOM 0 HB2 TYR A 40 -2.539 6.190 4.058 1.00 74.12 H new ATOM 0 HB3 TYR A 40 -2.371 7.869 3.585 1.00 74.12 H new ATOM 0 HD1 TYR A 40 -1.101 5.369 6.058 1.00 2.22 H new ATOM 0 HD2 TYR A 40 -0.345 9.023 4.001 1.00 40.23 H new ATOM 0 HE1 TYR A 40 1.198 5.379 6.922 1.00 14.12 H new ATOM 0 HE2 TYR A 40 1.955 9.035 4.862 1.00 54.33 H new ATOM 0 HH TYR A 40 3.197 8.090 6.821 1.00 44.03 H new ATOM 666 N THR A 41 -2.459 8.644 7.465 1.00 54.34 N ATOM 667 CA THR A 41 -1.993 9.752 8.288 1.00 25.42 C ATOM 668 C THR A 41 -0.475 9.732 8.428 1.00 2.54 C ATOM 669 O THR A 41 0.081 8.888 9.129 1.00 45.45 O ATOM 670 CB THR A 41 -2.626 9.715 9.691 1.00 12.45 C ATOM 671 OG1 THR A 41 -1.994 10.681 10.539 1.00 34.11 O ATOM 672 CG2 THR A 41 -2.499 8.332 10.307 1.00 34.41 C ATOM 0 H THR A 41 -2.420 7.733 7.922 1.00 54.34 H new ATOM 0 HA THR A 41 -2.297 10.669 7.784 1.00 25.42 H new ATOM 0 HB THR A 41 -3.685 9.955 9.593 1.00 12.45 H new ATOM 0 HG1 THR A 41 -2.403 10.652 11.429 1.00 34.11 H new ATOM 0 HG21 THR A 41 -2.954 8.332 11.298 1.00 34.41 H new ATOM 0 HG22 THR A 41 -3.007 7.604 9.675 1.00 34.41 H new ATOM 0 HG23 THR A 41 -1.445 8.067 10.391 1.00 34.41 H new ATOM 680 N ALA A 42 0.189 10.670 7.758 1.00 30.11 N ATOM 681 CA ALA A 42 1.643 10.761 7.811 1.00 70.53 C ATOM 682 C ALA A 42 2.134 10.876 9.250 1.00 11.52 C ATOM 683 O ALA A 42 1.663 11.724 10.008 1.00 61.53 O ATOM 684 CB ALA A 42 2.127 11.944 6.988 1.00 3.40 C ATOM 0 H ALA A 42 -0.257 11.377 7.173 1.00 30.11 H new ATOM 0 HA ALA A 42 2.056 9.846 7.387 1.00 70.53 H new ATOM 0 HB1 ALA A 42 3.214 12.000 7.036 1.00 3.40 H new ATOM 0 HB2 ALA A 42 1.816 11.817 5.951 1.00 3.40 H new ATOM 0 HB3 ALA A 42 1.698 12.864 7.386 1.00 3.40 H new ATOM 690 N GLN A 43 3.082 10.023 9.617 1.00 74.35 N ATOM 691 CA GLN A 43 3.635 10.029 10.968 1.00 44.55 C ATOM 692 C GLN A 43 4.790 11.020 11.076 1.00 12.11 C ATOM 693 O GLN A 43 4.872 11.787 12.034 1.00 63.24 O ATOM 694 CB GLN A 43 4.111 8.628 11.354 1.00 1.45 C ATOM 695 CG GLN A 43 3.131 7.528 10.980 1.00 52.51 C ATOM 696 CD GLN A 43 3.464 6.876 9.653 1.00 54.32 C ATOM 697 OE1 GLN A 43 4.623 6.839 9.239 1.00 41.11 O ATOM 698 NE2 GLN A 43 2.446 6.356 8.976 1.00 63.30 N ATOM 0 H GLN A 43 3.485 9.318 8.999 1.00 74.35 H new ATOM 0 HA GLN A 43 2.848 10.338 11.656 1.00 44.55 H new ATOM 0 HB2 GLN A 43 5.067 8.432 10.869 1.00 1.45 H new ATOM 0 HB3 GLN A 43 4.287 8.596 12.429 1.00 1.45 H new ATOM 0 HG2 GLN A 43 3.127 6.769 11.762 1.00 52.51 H new ATOM 0 HG3 GLN A 43 2.124 7.944 10.934 1.00 52.51 H new ATOM 0 HE21 GLN A 43 1.501 6.409 9.356 1.00 63.30 H new ATOM 0 HE22 GLN A 43 2.610 5.904 8.076 1.00 63.30 H new ATOM 707 N GLN A 44 5.679 10.997 10.088 1.00 71.25 N ATOM 708 CA GLN A 44 6.829 11.892 10.075 1.00 44.11 C ATOM 709 C GLN A 44 6.610 13.046 9.103 1.00 53.05 C ATOM 710 O GLN A 44 5.505 13.242 8.597 1.00 55.44 O ATOM 711 CB GLN A 44 8.097 11.124 9.694 1.00 74.02 C ATOM 712 CG GLN A 44 8.154 9.719 10.275 1.00 5.24 C ATOM 713 CD GLN A 44 8.459 9.714 11.760 1.00 23.14 C ATOM 714 OE1 GLN A 44 9.487 10.233 12.197 1.00 12.41 O ATOM 715 NE2 GLN A 44 7.564 9.127 12.546 1.00 32.20 N ATOM 0 H GLN A 44 5.624 10.368 9.287 1.00 71.25 H new ATOM 0 HA GLN A 44 6.948 12.302 11.078 1.00 44.11 H new ATOM 0 HB2 GLN A 44 8.162 11.062 8.608 1.00 74.02 H new ATOM 0 HB3 GLN A 44 8.968 11.685 10.034 1.00 74.02 H new ATOM 0 HG2 GLN A 44 7.201 9.219 10.102 1.00 5.24 H new ATOM 0 HG3 GLN A 44 8.916 9.143 9.749 1.00 5.24 H new ATOM 0 HE21 GLN A 44 6.726 8.709 12.141 1.00 32.20 H new ATOM 0 HE22 GLN A 44 7.715 9.094 13.554 1.00 32.20 H new ATOM 724 N ASP A 45 7.668 13.807 8.848 1.00 42.44 N ATOM 725 CA ASP A 45 7.591 14.943 7.934 1.00 61.53 C ATOM 726 C ASP A 45 7.950 14.522 6.513 1.00 3.13 C ATOM 727 O ASP A 45 7.769 15.287 5.565 1.00 33.31 O ATOM 728 CB ASP A 45 8.524 16.062 8.400 1.00 33.40 C ATOM 729 CG ASP A 45 7.870 16.975 9.418 1.00 13.41 C ATOM 730 OD1 ASP A 45 8.122 16.793 10.627 1.00 2.41 O ATOM 731 OD2 ASP A 45 7.105 17.872 9.005 1.00 75.21 O ATOM 0 H ASP A 45 8.589 13.659 9.260 1.00 42.44 H new ATOM 0 HA ASP A 45 6.565 15.311 7.935 1.00 61.53 H new ATOM 0 HB2 ASP A 45 9.423 15.624 8.834 1.00 33.40 H new ATOM 0 HB3 ASP A 45 8.840 16.650 7.538 1.00 33.40 H new ATOM 737 N GLN A 46 8.461 13.302 6.373 1.00 4.44 N ATOM 738 CA GLN A 46 8.847 12.783 5.066 1.00 32.32 C ATOM 739 C GLN A 46 7.626 12.297 4.291 1.00 65.21 C ATOM 740 O GLN A 46 7.476 12.589 3.106 1.00 14.14 O ATOM 741 CB GLN A 46 9.853 11.641 5.225 1.00 71.31 C ATOM 742 CG GLN A 46 11.172 12.075 5.845 1.00 72.24 C ATOM 743 CD GLN A 46 12.190 10.952 5.895 1.00 75.22 C ATOM 744 OE1 GLN A 46 12.573 10.494 6.971 1.00 33.42 O ATOM 745 NE2 GLN A 46 12.634 10.502 4.727 1.00 72.11 N ATOM 0 H GLN A 46 8.617 12.656 7.147 1.00 4.44 H new ATOM 0 HA GLN A 46 9.312 13.593 4.504 1.00 32.32 H new ATOM 0 HB2 GLN A 46 9.410 10.861 5.843 1.00 71.31 H new ATOM 0 HB3 GLN A 46 10.048 11.201 4.247 1.00 71.31 H new ATOM 0 HG2 GLN A 46 11.582 12.907 5.272 1.00 72.24 H new ATOM 0 HG3 GLN A 46 10.991 12.442 6.855 1.00 72.24 H new ATOM 0 HE21 GLN A 46 12.289 10.911 3.858 1.00 72.11 H new ATOM 0 HE22 GLN A 46 13.320 9.747 4.698 1.00 72.11 H new ATOM 754 N GLU A 47 6.760 11.553 4.971 1.00 74.22 N ATOM 755 CA GLU A 47 5.552 11.025 4.343 1.00 23.54 C ATOM 756 C GLU A 47 4.494 12.114 4.199 1.00 11.12 C ATOM 757 O GLU A 47 4.694 13.252 4.627 1.00 43.10 O ATOM 758 CB GLU A 47 4.992 9.860 5.164 1.00 2.23 C ATOM 759 CG GLU A 47 6.055 8.884 5.638 1.00 64.24 C ATOM 760 CD GLU A 47 6.575 9.215 7.024 1.00 72.43 C ATOM 761 OE1 GLU A 47 6.288 10.325 7.516 1.00 3.14 O ATOM 762 OE2 GLU A 47 7.270 8.361 7.616 1.00 34.05 O ATOM 0 H GLU A 47 6.870 11.302 5.953 1.00 74.22 H new ATOM 0 HA GLU A 47 5.817 10.666 3.349 1.00 23.54 H new ATOM 0 HB2 GLU A 47 4.464 10.258 6.030 1.00 2.23 H new ATOM 0 HB3 GLU A 47 4.259 9.322 4.563 1.00 2.23 H new ATOM 0 HG2 GLU A 47 5.642 7.875 5.640 1.00 64.24 H new ATOM 0 HG3 GLU A 47 6.886 8.886 4.932 1.00 64.24 H new ATOM 769 N LEU A 48 3.367 11.758 3.593 1.00 32.24 N ATOM 770 CA LEU A 48 2.275 12.706 3.392 1.00 73.25 C ATOM 771 C LEU A 48 0.962 12.145 3.928 1.00 40.02 C ATOM 772 O LEU A 48 0.862 10.957 4.236 1.00 11.34 O ATOM 773 CB LEU A 48 2.131 13.039 1.905 1.00 54.13 C ATOM 774 CG LEU A 48 2.222 14.519 1.537 1.00 4.33 C ATOM 775 CD1 LEU A 48 2.744 14.686 0.117 1.00 23.33 C ATOM 776 CD2 LEU A 48 0.866 15.191 1.690 1.00 53.33 C ATOM 0 H LEU A 48 3.185 10.821 3.232 1.00 32.24 H new ATOM 0 HA LEU A 48 2.511 13.617 3.942 1.00 73.25 H new ATOM 0 HB2 LEU A 48 2.904 12.501 1.356 1.00 54.13 H new ATOM 0 HB3 LEU A 48 1.170 12.658 1.559 1.00 54.13 H new ATOM 0 HG LEU A 48 2.923 15.000 2.219 1.00 4.33 H new ATOM 0 HD11 LEU A 48 2.802 15.747 -0.127 1.00 23.33 H new ATOM 0 HD12 LEU A 48 3.736 14.241 0.039 1.00 23.33 H new ATOM 0 HD13 LEU A 48 2.068 14.190 -0.580 1.00 23.33 H new ATOM 0 HD21 LEU A 48 0.950 16.245 1.424 1.00 53.33 H new ATOM 0 HD22 LEU A 48 0.144 14.707 1.033 1.00 53.33 H new ATOM 0 HD23 LEU A 48 0.531 15.104 2.724 1.00 53.33 H new ATOM 788 N ASP A 49 -0.043 13.007 4.035 1.00 2.22 N ATOM 789 CA ASP A 49 -1.352 12.598 4.531 1.00 71.41 C ATOM 790 C ASP A 49 -2.397 12.655 3.421 1.00 44.34 C ATOM 791 O ASP A 49 -2.527 13.665 2.729 1.00 73.12 O ATOM 792 CB ASP A 49 -1.781 13.490 5.698 1.00 42.55 C ATOM 793 CG ASP A 49 -2.910 12.883 6.506 1.00 54.10 C ATOM 794 OD1 ASP A 49 -2.838 12.928 7.752 1.00 25.43 O ATOM 795 OD2 ASP A 49 -3.865 12.364 5.894 1.00 11.45 O ATOM 0 H ASP A 49 0.024 13.994 3.785 1.00 2.22 H new ATOM 0 HA ASP A 49 -1.275 11.568 4.880 1.00 71.41 H new ATOM 0 HB2 ASP A 49 -0.926 13.667 6.350 1.00 42.55 H new ATOM 0 HB3 ASP A 49 -2.094 14.461 5.313 1.00 42.55 H new ATOM 801 N ILE A 50 -3.136 11.563 3.256 1.00 34.15 N ATOM 802 CA ILE A 50 -4.168 11.490 2.230 1.00 54.13 C ATOM 803 C ILE A 50 -5.473 10.944 2.801 1.00 74.12 C ATOM 804 O ILE A 50 -5.515 10.466 3.934 1.00 52.21 O ATOM 805 CB ILE A 50 -3.727 10.603 1.050 1.00 4.42 C ATOM 806 CG1 ILE A 50 -3.029 9.343 1.565 1.00 73.11 C ATOM 807 CG2 ILE A 50 -2.810 11.380 0.118 1.00 41.12 C ATOM 808 CD1 ILE A 50 -2.579 8.408 0.463 1.00 1.15 C ATOM 0 H ILE A 50 -3.039 10.718 3.819 1.00 34.15 H new ATOM 0 HA ILE A 50 -4.328 12.506 1.870 1.00 54.13 H new ATOM 0 HB ILE A 50 -4.612 10.302 0.489 1.00 4.42 H new ATOM 0 HG12 ILE A 50 -2.163 9.634 2.159 1.00 73.11 H new ATOM 0 HG13 ILE A 50 -3.707 8.808 2.230 1.00 73.11 H new ATOM 0 HG21 ILE A 50 -2.507 10.740 -0.711 1.00 41.12 H new ATOM 0 HG22 ILE A 50 -3.339 12.251 -0.270 1.00 41.12 H new ATOM 0 HG23 ILE A 50 -1.926 11.707 0.666 1.00 41.12 H new ATOM 0 HD11 ILE A 50 -2.092 7.537 0.901 1.00 1.15 H new ATOM 0 HD12 ILE A 50 -3.444 8.087 -0.118 1.00 1.15 H new ATOM 0 HD13 ILE A 50 -1.876 8.926 -0.189 1.00 1.15 H new ATOM 820 N LYS A 51 -6.537 11.018 2.007 1.00 61.11 N ATOM 821 CA LYS A 51 -7.843 10.529 2.431 1.00 71.02 C ATOM 822 C LYS A 51 -8.290 9.351 1.568 1.00 5.05 C ATOM 823 O LYS A 51 -7.733 9.106 0.497 1.00 21.35 O ATOM 824 CB LYS A 51 -8.880 11.652 2.354 1.00 22.04 C ATOM 825 CG LYS A 51 -9.674 11.834 3.636 1.00 72.03 C ATOM 826 CD LYS A 51 -10.565 13.064 3.570 1.00 45.14 C ATOM 827 CE LYS A 51 -11.327 13.270 4.870 1.00 41.45 C ATOM 828 NZ LYS A 51 -12.517 14.145 4.682 1.00 74.43 N ATOM 0 H LYS A 51 -6.520 11.412 1.066 1.00 61.11 H new ATOM 0 HA LYS A 51 -7.758 10.190 3.463 1.00 71.02 H new ATOM 0 HB2 LYS A 51 -8.374 12.587 2.114 1.00 22.04 H new ATOM 0 HB3 LYS A 51 -9.569 11.443 1.536 1.00 22.04 H new ATOM 0 HG2 LYS A 51 -10.286 10.950 3.815 1.00 72.03 H new ATOM 0 HG3 LYS A 51 -8.989 11.924 4.479 1.00 72.03 H new ATOM 0 HD2 LYS A 51 -9.957 13.944 3.360 1.00 45.14 H new ATOM 0 HD3 LYS A 51 -11.271 12.960 2.746 1.00 45.14 H new ATOM 0 HE2 LYS A 51 -11.645 12.304 5.262 1.00 41.45 H new ATOM 0 HE3 LYS A 51 -10.664 13.713 5.613 1.00 41.45 H new ATOM 0 HZ1 LYS A 51 -13.010 14.261 5.591 1.00 74.43 H new ATOM 0 HZ2 LYS A 51 -12.212 15.076 4.332 1.00 74.43 H new ATOM 0 HZ3 LYS A 51 -13.162 13.710 3.992 1.00 74.43 H new ATOM 842 N LYS A 52 -9.297 8.627 2.042 1.00 75.04 N ATOM 843 CA LYS A 52 -9.821 7.477 1.312 1.00 22.54 C ATOM 844 C LYS A 52 -10.148 7.849 -0.129 1.00 55.24 C ATOM 845 O LYS A 52 -10.763 8.882 -0.389 1.00 3.14 O ATOM 846 CB LYS A 52 -11.072 6.934 2.009 1.00 52.35 C ATOM 847 CG LYS A 52 -12.152 7.980 2.219 1.00 23.41 C ATOM 848 CD LYS A 52 -13.326 7.419 3.003 1.00 54.33 C ATOM 849 CE LYS A 52 -14.214 6.548 2.126 1.00 35.50 C ATOM 850 NZ LYS A 52 -15.656 6.878 2.297 1.00 33.11 N ATOM 0 H LYS A 52 -9.767 8.815 2.927 1.00 75.04 H new ATOM 0 HA LYS A 52 -9.053 6.703 1.301 1.00 22.54 H new ATOM 0 HB2 LYS A 52 -11.481 6.115 1.417 1.00 52.35 H new ATOM 0 HB3 LYS A 52 -10.788 6.518 2.976 1.00 52.35 H new ATOM 0 HG2 LYS A 52 -11.734 8.835 2.750 1.00 23.41 H new ATOM 0 HG3 LYS A 52 -12.500 8.345 1.252 1.00 23.41 H new ATOM 0 HD2 LYS A 52 -12.957 6.833 3.845 1.00 54.33 H new ATOM 0 HD3 LYS A 52 -13.913 8.238 3.418 1.00 54.33 H new ATOM 0 HE2 LYS A 52 -13.933 6.679 1.081 1.00 35.50 H new ATOM 0 HE3 LYS A 52 -14.050 5.499 2.371 1.00 35.50 H new ATOM 0 HZ1 LYS A 52 -16.228 6.263 1.683 1.00 33.11 H new ATOM 0 HZ2 LYS A 52 -15.931 6.729 3.289 1.00 33.11 H new ATOM 0 HZ3 LYS A 52 -15.818 7.872 2.039 1.00 33.11 H new ATOM 864 N ASN A 53 -9.735 6.999 -1.064 1.00 22.41 N ATOM 865 CA ASN A 53 -9.984 7.239 -2.481 1.00 32.11 C ATOM 866 C ASN A 53 -9.267 8.499 -2.953 1.00 61.44 C ATOM 867 O ASN A 53 -9.902 9.498 -3.290 1.00 60.21 O ATOM 868 CB ASN A 53 -11.486 7.366 -2.739 1.00 11.12 C ATOM 869 CG ASN A 53 -11.834 7.240 -4.210 1.00 4.43 C ATOM 870 OD1 ASN A 53 -11.424 6.289 -4.877 1.00 12.13 O ATOM 871 ND2 ASN A 53 -12.590 8.204 -4.724 1.00 45.01 N ATOM 0 H ASN A 53 -9.226 6.138 -0.866 1.00 22.41 H new ATOM 0 HA ASN A 53 -9.595 6.390 -3.043 1.00 32.11 H new ATOM 0 HB2 ASN A 53 -12.015 6.596 -2.176 1.00 11.12 H new ATOM 0 HB3 ASN A 53 -11.835 8.329 -2.367 1.00 11.12 H new ATOM 0 HD21 ASN A 53 -12.853 8.175 -5.709 1.00 45.01 H new ATOM 0 HD22 ASN A 53 -12.907 8.973 -4.134 1.00 45.01 H new ATOM 878 N GLU A 54 -7.938 8.443 -2.978 1.00 64.51 N ATOM 879 CA GLU A 54 -7.135 9.580 -3.410 1.00 43.51 C ATOM 880 C GLU A 54 -6.135 9.162 -4.484 1.00 61.01 C ATOM 881 O GLU A 54 -5.279 8.308 -4.252 1.00 13.11 O ATOM 882 CB GLU A 54 -6.394 10.192 -2.218 1.00 50.51 C ATOM 883 CG GLU A 54 -6.921 11.558 -1.813 1.00 25.53 C ATOM 884 CD GLU A 54 -8.435 11.616 -1.785 1.00 20.23 C ATOM 885 OE1 GLU A 54 -9.035 11.020 -0.866 1.00 20.23 O ATOM 886 OE2 GLU A 54 -9.021 12.257 -2.682 1.00 3.34 O ATOM 0 H GLU A 54 -7.396 7.623 -2.704 1.00 64.51 H new ATOM 0 HA GLU A 54 -7.807 10.327 -3.833 1.00 43.51 H new ATOM 0 HB2 GLU A 54 -6.470 9.515 -1.367 1.00 50.51 H new ATOM 0 HB3 GLU A 54 -5.336 10.278 -2.464 1.00 50.51 H new ATOM 0 HG2 GLU A 54 -6.533 11.815 -0.827 1.00 25.53 H new ATOM 0 HG3 GLU A 54 -6.546 12.309 -2.509 1.00 25.53 H new ATOM 893 N ARG A 55 -6.249 9.771 -5.659 1.00 50.01 N ATOM 894 CA ARG A 55 -5.357 9.462 -6.771 1.00 61.32 C ATOM 895 C ARG A 55 -4.224 10.480 -6.858 1.00 1.12 C ATOM 896 O ARG A 55 -4.418 11.665 -6.582 1.00 41.43 O ATOM 897 CB ARG A 55 -6.138 9.435 -8.087 1.00 63.03 C ATOM 898 CG ARG A 55 -7.130 10.578 -8.230 1.00 62.40 C ATOM 899 CD ARG A 55 -7.350 10.945 -9.689 1.00 62.52 C ATOM 900 NE ARG A 55 -7.167 12.373 -9.927 1.00 22.13 N ATOM 901 CZ ARG A 55 -8.055 13.297 -9.576 1.00 22.20 C ATOM 902 NH1 ARG A 55 -9.181 12.943 -8.973 1.00 33.23 N ATOM 903 NH2 ARG A 55 -7.816 14.578 -9.826 1.00 3.34 N ATOM 0 H ARG A 55 -6.951 10.482 -5.866 1.00 50.01 H new ATOM 0 HA ARG A 55 -4.924 8.478 -6.594 1.00 61.32 H new ATOM 0 HB2 ARG A 55 -5.434 9.470 -8.918 1.00 63.03 H new ATOM 0 HB3 ARG A 55 -6.674 8.489 -8.163 1.00 63.03 H new ATOM 0 HG2 ARG A 55 -8.080 10.295 -7.778 1.00 62.40 H new ATOM 0 HG3 ARG A 55 -6.764 11.449 -7.686 1.00 62.40 H new ATOM 0 HD2 ARG A 55 -6.656 10.382 -10.313 1.00 62.52 H new ATOM 0 HD3 ARG A 55 -8.357 10.654 -9.988 1.00 62.52 H new ATOM 0 HE ARG A 55 -6.310 12.679 -10.388 1.00 22.13 H new ATOM 0 HH11 ARG A 55 -9.367 11.959 -8.777 1.00 33.23 H new ATOM 0 HH12 ARG A 55 -9.861 13.654 -8.705 1.00 33.23 H new ATOM 0 HH21 ARG A 55 -6.950 14.854 -10.288 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -8.499 15.286 -9.556 1.00 3.34 H new ATOM 917 N LEU A 56 -3.043 10.012 -7.243 1.00 64.31 N ATOM 918 CA LEU A 56 -1.878 10.880 -7.367 1.00 12.34 C ATOM 919 C LEU A 56 -0.963 10.409 -8.493 1.00 51.33 C ATOM 920 O LEU A 56 -1.220 9.385 -9.126 1.00 2.22 O ATOM 921 CB LEU A 56 -1.103 10.919 -6.048 1.00 22.23 C ATOM 922 CG LEU A 56 -1.567 11.961 -5.027 1.00 45.44 C ATOM 923 CD1 LEU A 56 -2.753 11.437 -4.233 1.00 65.30 C ATOM 924 CD2 LEU A 56 -0.424 12.341 -4.099 1.00 22.23 C ATOM 0 H LEU A 56 -2.866 9.035 -7.475 1.00 64.31 H new ATOM 0 HA LEU A 56 -2.229 11.884 -7.606 1.00 12.34 H new ATOM 0 HB2 LEU A 56 -1.163 9.934 -5.585 1.00 22.23 H new ATOM 0 HB3 LEU A 56 -0.052 11.102 -6.272 1.00 22.23 H new ATOM 0 HG LEU A 56 -1.884 12.855 -5.564 1.00 45.44 H new ATOM 0 HD11 LEU A 56 -3.070 12.191 -3.512 1.00 65.30 H new ATOM 0 HD12 LEU A 56 -3.576 11.216 -4.912 1.00 65.30 H new ATOM 0 HD13 LEU A 56 -2.464 10.528 -3.705 1.00 65.30 H new ATOM 0 HD21 LEU A 56 -0.771 13.083 -3.379 1.00 22.23 H new ATOM 0 HD22 LEU A 56 -0.077 11.455 -3.568 1.00 22.23 H new ATOM 0 HD23 LEU A 56 0.396 12.758 -4.684 1.00 22.23 H new ATOM 936 N TRP A 57 0.103 11.162 -8.735 1.00 11.31 N ATOM 937 CA TRP A 57 1.058 10.819 -9.784 1.00 13.34 C ATOM 938 C TRP A 57 2.202 9.980 -9.227 1.00 21.52 C ATOM 939 O TRP A 57 3.042 10.479 -8.476 1.00 71.25 O ATOM 940 CB TRP A 57 1.610 12.089 -10.434 1.00 53.11 C ATOM 941 CG TRP A 57 0.669 12.706 -11.425 1.00 64.44 C ATOM 942 CD1 TRP A 57 0.832 12.769 -12.779 1.00 4.24 C ATOM 943 CD2 TRP A 57 -0.576 13.349 -11.139 1.00 31.53 C ATOM 944 NE1 TRP A 57 -0.238 13.412 -13.352 1.00 13.14 N ATOM 945 CE2 TRP A 57 -1.118 13.777 -12.366 1.00 4.22 C ATOM 946 CE3 TRP A 57 -1.290 13.603 -9.963 1.00 11.10 C ATOM 947 CZ2 TRP A 57 -2.336 14.446 -12.451 1.00 4.13 C ATOM 948 CZ3 TRP A 57 -2.499 14.267 -10.049 1.00 74.31 C ATOM 949 CH2 TRP A 57 -3.013 14.680 -11.285 1.00 4.31 C ATOM 0 H TRP A 57 0.329 12.013 -8.220 1.00 11.31 H new ATOM 0 HA TRP A 57 0.535 10.230 -10.538 1.00 13.34 H new ATOM 0 HB2 TRP A 57 1.836 12.818 -9.656 1.00 53.11 H new ATOM 0 HB3 TRP A 57 2.550 11.854 -10.934 1.00 53.11 H new ATOM 0 HD1 TRP A 57 1.678 12.372 -13.320 1.00 4.24 H new ATOM 0 HE1 TRP A 57 -0.358 13.589 -14.349 1.00 13.14 H new ATOM 0 HE3 TRP A 57 -0.904 13.286 -9.006 1.00 11.10 H new ATOM 0 HZ2 TRP A 57 -2.732 14.769 -13.403 1.00 4.13 H new ATOM 0 HZ3 TRP A 57 -3.057 14.471 -9.147 1.00 74.31 H new ATOM 0 HH2 TRP A 57 -3.963 15.193 -11.318 1.00 4.31 H new ATOM 960 N LEU A 58 2.229 8.705 -9.595 1.00 52.44 N ATOM 961 CA LEU A 58 3.271 7.795 -9.132 1.00 72.33 C ATOM 962 C LEU A 58 4.635 8.207 -9.678 1.00 30.21 C ATOM 963 O LEU A 58 4.825 8.311 -10.890 1.00 11.34 O ATOM 964 CB LEU A 58 2.952 6.361 -9.558 1.00 2.31 C ATOM 965 CG LEU A 58 2.365 5.455 -8.475 1.00 54.01 C ATOM 966 CD1 LEU A 58 2.010 4.093 -9.053 1.00 11.23 C ATOM 967 CD2 LEU A 58 3.341 5.308 -7.316 1.00 52.11 C ATOM 0 H LEU A 58 1.540 8.277 -10.214 1.00 52.44 H new ATOM 0 HA LEU A 58 3.304 7.845 -8.044 1.00 72.33 H new ATOM 0 HB2 LEU A 58 2.251 6.398 -10.392 1.00 2.31 H new ATOM 0 HB3 LEU A 58 3.867 5.902 -9.931 1.00 2.31 H new ATOM 0 HG LEU A 58 1.452 5.915 -8.098 1.00 54.01 H new ATOM 0 HD11 LEU A 58 1.594 3.462 -8.268 1.00 11.23 H new ATOM 0 HD12 LEU A 58 1.275 4.216 -9.848 1.00 11.23 H new ATOM 0 HD13 LEU A 58 2.907 3.624 -9.458 1.00 11.23 H new ATOM 0 HD21 LEU A 58 2.907 4.660 -6.555 1.00 52.11 H new ATOM 0 HD22 LEU A 58 4.272 4.870 -7.677 1.00 52.11 H new ATOM 0 HD23 LEU A 58 3.544 6.288 -6.885 1.00 52.11 H new ATOM 979 N LEU A 59 5.582 8.438 -8.775 1.00 31.15 N ATOM 980 CA LEU A 59 6.930 8.837 -9.165 1.00 23.55 C ATOM 981 C LEU A 59 7.882 7.644 -9.129 1.00 1.25 C ATOM 982 O LEU A 59 8.329 7.164 -10.171 1.00 25.12 O ATOM 983 CB LEU A 59 7.444 9.942 -8.241 1.00 3.33 C ATOM 984 CG LEU A 59 6.595 11.212 -8.176 1.00 72.24 C ATOM 985 CD1 LEU A 59 7.285 12.273 -7.333 1.00 22.33 C ATOM 986 CD2 LEU A 59 6.315 11.738 -9.575 1.00 3.41 C ATOM 0 H LEU A 59 5.441 8.356 -7.768 1.00 31.15 H new ATOM 0 HA LEU A 59 6.889 9.216 -10.186 1.00 23.55 H new ATOM 0 HB2 LEU A 59 7.530 9.535 -7.234 1.00 3.33 H new ATOM 0 HB3 LEU A 59 8.449 10.217 -8.561 1.00 3.33 H new ATOM 0 HG LEU A 59 5.643 10.966 -7.705 1.00 72.24 H new ATOM 0 HD11 LEU A 59 6.666 13.169 -7.298 1.00 22.33 H new ATOM 0 HD12 LEU A 59 7.433 11.895 -6.322 1.00 22.33 H new ATOM 0 HD13 LEU A 59 8.252 12.516 -7.774 1.00 22.33 H new ATOM 0 HD21 LEU A 59 5.710 12.642 -9.509 1.00 3.41 H new ATOM 0 HD22 LEU A 59 7.257 11.967 -10.073 1.00 3.41 H new ATOM 0 HD23 LEU A 59 5.777 10.982 -10.147 1.00 3.41 H new ATOM 998 N ASP A 60 8.184 7.172 -7.925 1.00 43.32 N ATOM 999 CA ASP A 60 9.080 6.035 -7.755 1.00 63.34 C ATOM 1000 C ASP A 60 8.436 4.962 -6.879 1.00 41.25 C ATOM 1001 O ASP A 60 8.359 5.106 -5.659 1.00 42.42 O ATOM 1002 CB ASP A 60 10.403 6.488 -7.135 1.00 54.22 C ATOM 1003 CG ASP A 60 11.556 5.574 -7.500 1.00 42.42 C ATOM 1004 OD1 ASP A 60 11.328 4.596 -8.242 1.00 54.41 O ATOM 1005 OD2 ASP A 60 12.689 5.837 -7.043 1.00 74.44 O ATOM 0 H ASP A 60 7.822 7.559 -7.053 1.00 43.32 H new ATOM 0 HA ASP A 60 9.276 5.608 -8.739 1.00 63.34 H new ATOM 0 HB2 ASP A 60 10.628 7.502 -7.466 1.00 54.22 H new ATOM 0 HB3 ASP A 60 10.300 6.523 -6.050 1.00 54.22 H new ATOM 1011 N ASP A 61 7.974 3.889 -7.512 1.00 22.04 N ATOM 1012 CA ASP A 61 7.336 2.793 -6.792 1.00 4.43 C ATOM 1013 C ASP A 61 8.100 1.489 -7.001 1.00 44.41 C ATOM 1014 O ASP A 61 7.640 0.596 -7.714 1.00 62.23 O ATOM 1015 CB ASP A 61 5.887 2.629 -7.250 1.00 23.42 C ATOM 1016 CG ASP A 61 5.664 3.140 -8.659 1.00 14.23 C ATOM 1017 OD1 ASP A 61 5.533 2.305 -9.580 1.00 54.43 O ATOM 1018 OD2 ASP A 61 5.617 4.374 -8.843 1.00 24.32 O ATOM 0 H ASP A 61 8.029 3.755 -8.522 1.00 22.04 H new ATOM 0 HA ASP A 61 7.347 3.033 -5.729 1.00 4.43 H new ATOM 0 HB2 ASP A 61 5.610 1.576 -7.201 1.00 23.42 H new ATOM 0 HB3 ASP A 61 5.230 3.164 -6.564 1.00 23.42 H new ATOM 1024 N SER A 62 9.268 1.386 -6.377 1.00 25.34 N ATOM 1025 CA SER A 62 10.098 0.194 -6.497 1.00 74.11 C ATOM 1026 C SER A 62 10.135 -0.580 -5.183 1.00 25.44 C ATOM 1027 O SER A 62 9.920 -1.792 -5.154 1.00 31.12 O ATOM 1028 CB SER A 62 11.518 0.575 -6.918 1.00 24.23 C ATOM 1029 OG SER A 62 11.770 0.206 -8.263 1.00 13.12 O ATOM 0 H SER A 62 9.662 2.115 -5.782 1.00 25.34 H new ATOM 0 HA SER A 62 9.659 -0.447 -7.262 1.00 74.11 H new ATOM 0 HB2 SER A 62 11.659 1.649 -6.800 1.00 24.23 H new ATOM 0 HB3 SER A 62 12.238 0.085 -6.263 1.00 24.23 H new ATOM 0 HG SER A 62 12.684 0.462 -8.507 1.00 13.12 H new ATOM 1035 N LYS A 63 10.409 0.131 -4.094 1.00 64.02 N ATOM 1036 CA LYS A 63 10.474 -0.484 -2.773 1.00 73.11 C ATOM 1037 C LYS A 63 9.086 -0.577 -2.148 1.00 41.40 C ATOM 1038 O LYS A 63 8.101 -0.116 -2.726 1.00 42.51 O ATOM 1039 CB LYS A 63 11.405 0.316 -1.859 1.00 51.25 C ATOM 1040 CG LYS A 63 12.817 -0.240 -1.792 1.00 22.45 C ATOM 1041 CD LYS A 63 13.831 0.851 -1.491 1.00 41.45 C ATOM 1042 CE LYS A 63 15.225 0.459 -1.959 1.00 71.50 C ATOM 1043 NZ LYS A 63 15.442 0.790 -3.394 1.00 61.35 N ATOM 0 H LYS A 63 10.590 1.135 -4.100 1.00 64.02 H new ATOM 0 HA LYS A 63 10.870 -1.493 -2.889 1.00 73.11 H new ATOM 0 HB2 LYS A 63 11.446 1.347 -2.209 1.00 51.25 H new ATOM 0 HB3 LYS A 63 10.984 0.337 -0.854 1.00 51.25 H new ATOM 0 HG2 LYS A 63 12.870 -1.010 -1.022 1.00 22.45 H new ATOM 0 HG3 LYS A 63 13.066 -0.719 -2.739 1.00 22.45 H new ATOM 0 HD2 LYS A 63 13.528 1.776 -1.981 1.00 41.45 H new ATOM 0 HD3 LYS A 63 13.848 1.048 -0.419 1.00 41.45 H new ATOM 0 HE2 LYS A 63 15.970 0.973 -1.351 1.00 71.50 H new ATOM 0 HE3 LYS A 63 15.372 -0.610 -1.807 1.00 71.50 H new ATOM 0 HZ1 LYS A 63 16.403 0.508 -3.674 1.00 61.35 H new ATOM 0 HZ2 LYS A 63 14.748 0.280 -3.977 1.00 61.35 H new ATOM 0 HZ3 LYS A 63 15.327 1.814 -3.535 1.00 61.35 H new ATOM 1057 N THR A 64 9.015 -1.176 -0.963 1.00 13.22 N ATOM 1058 CA THR A 64 7.747 -1.329 -0.260 1.00 23.21 C ATOM 1059 C THR A 64 6.980 -0.012 -0.216 1.00 14.23 C ATOM 1060 O THR A 64 5.752 0.004 -0.306 1.00 30.15 O ATOM 1061 CB THR A 64 7.962 -1.832 1.180 1.00 35.42 C ATOM 1062 OG1 THR A 64 6.785 -1.596 1.962 1.00 75.31 O ATOM 1063 CG2 THR A 64 9.153 -1.139 1.825 1.00 2.54 C ATOM 0 H THR A 64 9.820 -1.563 -0.470 1.00 13.22 H new ATOM 0 HA THR A 64 7.165 -2.067 -0.813 1.00 23.21 H new ATOM 0 HB THR A 64 8.164 -2.902 1.140 1.00 35.42 H new ATOM 0 HG1 THR A 64 6.063 -2.181 1.651 1.00 75.31 H new ATOM 0 HG21 THR A 64 9.284 -1.511 2.841 1.00 2.54 H new ATOM 0 HG22 THR A 64 10.052 -1.345 1.244 1.00 2.54 H new ATOM 0 HG23 THR A 64 8.977 -0.064 1.852 1.00 2.54 H new ATOM 1071 N TRP A 65 7.710 1.088 -0.081 1.00 4.25 N ATOM 1072 CA TRP A 65 7.097 2.411 -0.027 1.00 70.21 C ATOM 1073 C TRP A 65 7.154 3.093 -1.389 1.00 60.44 C ATOM 1074 O TRP A 65 8.174 3.041 -2.078 1.00 63.34 O ATOM 1075 CB TRP A 65 7.796 3.277 1.022 1.00 5.33 C ATOM 1076 CG TRP A 65 7.315 3.024 2.419 1.00 73.34 C ATOM 1077 CD1 TRP A 65 7.487 1.884 3.150 1.00 11.42 C ATOM 1078 CD2 TRP A 65 6.582 3.931 3.249 1.00 71.42 C ATOM 1079 NE1 TRP A 65 6.904 2.027 4.387 1.00 44.40 N ATOM 1080 CE2 TRP A 65 6.343 3.274 4.473 1.00 54.13 C ATOM 1081 CE3 TRP A 65 6.106 5.233 3.080 1.00 22.20 C ATOM 1082 CZ2 TRP A 65 5.649 3.876 5.518 1.00 54.21 C ATOM 1083 CZ3 TRP A 65 5.416 5.830 4.119 1.00 11.41 C ATOM 1084 CH2 TRP A 65 5.193 5.153 5.325 1.00 51.55 C ATOM 0 H TRP A 65 8.727 1.091 -0.007 1.00 4.25 H new ATOM 0 HA TRP A 65 6.051 2.289 0.253 1.00 70.21 H new ATOM 0 HB2 TRP A 65 8.870 3.094 0.977 1.00 5.33 H new ATOM 0 HB3 TRP A 65 7.641 4.328 0.777 1.00 5.33 H new ATOM 0 HD1 TRP A 65 8.005 1.000 2.807 1.00 11.42 H new ATOM 0 HE1 TRP A 65 6.891 1.319 5.122 1.00 44.40 H new ATOM 0 HE3 TRP A 65 6.274 5.764 2.155 1.00 22.20 H new ATOM 0 HZ2 TRP A 65 5.476 3.355 6.448 1.00 54.21 H new ATOM 0 HZ3 TRP A 65 5.042 6.836 3.999 1.00 11.41 H new ATOM 0 HH2 TRP A 65 4.651 5.647 6.118 1.00 51.55 H new ATOM 1095 N TRP A 66 6.055 3.733 -1.772 1.00 1.15 N ATOM 1096 CA TRP A 66 5.982 4.426 -3.053 1.00 54.44 C ATOM 1097 C TRP A 66 5.900 5.935 -2.851 1.00 43.51 C ATOM 1098 O TRP A 66 5.478 6.408 -1.796 1.00 63.41 O ATOM 1099 CB TRP A 66 4.771 3.940 -3.851 1.00 60.25 C ATOM 1100 CG TRP A 66 4.807 2.470 -4.147 1.00 11.34 C ATOM 1101 CD1 TRP A 66 5.858 1.620 -3.952 1.00 62.31 C ATOM 1102 CD2 TRP A 66 3.746 1.680 -4.693 1.00 31.22 C ATOM 1103 NE1 TRP A 66 5.514 0.349 -4.343 1.00 11.42 N ATOM 1104 CE2 TRP A 66 4.223 0.359 -4.801 1.00 10.02 C ATOM 1105 CE3 TRP A 66 2.438 1.959 -5.099 1.00 74.42 C ATOM 1106 CZ2 TRP A 66 3.438 -0.677 -5.299 1.00 33.40 C ATOM 1107 CZ3 TRP A 66 1.661 0.929 -5.594 1.00 34.45 C ATOM 1108 CH2 TRP A 66 2.161 -0.375 -5.689 1.00 72.15 C ATOM 0 H TRP A 66 5.203 3.786 -1.214 1.00 1.15 H new ATOM 0 HA TRP A 66 6.891 4.201 -3.612 1.00 54.44 H new ATOM 0 HB2 TRP A 66 3.862 4.169 -3.295 1.00 60.25 H new ATOM 0 HB3 TRP A 66 4.718 4.491 -4.790 1.00 60.25 H new ATOM 0 HD1 TRP A 66 6.819 1.905 -3.549 1.00 62.31 H new ATOM 0 HE1 TRP A 66 6.121 -0.469 -4.299 1.00 11.42 H new ATOM 0 HE3 TRP A 66 2.042 2.961 -5.027 1.00 74.42 H new ATOM 0 HZ2 TRP A 66 3.823 -1.683 -5.375 1.00 33.40 H new ATOM 0 HZ3 TRP A 66 0.650 1.134 -5.913 1.00 34.45 H new ATOM 0 HH2 TRP A 66 1.527 -1.158 -6.078 1.00 72.15 H new ATOM 1119 N ARG A 67 6.305 6.688 -3.869 1.00 42.04 N ATOM 1120 CA ARG A 67 6.277 8.144 -3.803 1.00 64.34 C ATOM 1121 C ARG A 67 5.410 8.722 -4.916 1.00 2.02 C ATOM 1122 O ARG A 67 5.718 8.573 -6.099 1.00 72.43 O ATOM 1123 CB ARG A 67 7.696 8.707 -3.902 1.00 11.41 C ATOM 1124 CG ARG A 67 7.743 10.167 -4.320 1.00 23.12 C ATOM 1125 CD ARG A 67 9.119 10.772 -4.078 1.00 53.21 C ATOM 1126 NE ARG A 67 9.955 10.722 -5.275 1.00 31.25 N ATOM 1127 CZ ARG A 67 10.722 9.685 -5.594 1.00 0.15 C ATOM 1128 NH1 ARG A 67 10.758 8.618 -4.810 1.00 24.11 N ATOM 1129 NH2 ARG A 67 11.454 9.716 -6.699 1.00 45.21 N ATOM 0 H ARG A 67 6.657 6.313 -4.750 1.00 42.04 H new ATOM 0 HA ARG A 67 5.845 8.431 -2.844 1.00 64.34 H new ATOM 0 HB2 ARG A 67 8.189 8.598 -2.936 1.00 11.41 H new ATOM 0 HB3 ARG A 67 8.264 8.114 -4.619 1.00 11.41 H new ATOM 0 HG2 ARG A 67 7.487 10.253 -5.376 1.00 23.12 H new ATOM 0 HG3 ARG A 67 6.994 10.730 -3.764 1.00 23.12 H new ATOM 0 HD2 ARG A 67 9.009 11.807 -3.755 1.00 53.21 H new ATOM 0 HD3 ARG A 67 9.613 10.237 -3.267 1.00 53.21 H new ATOM 0 HE ARG A 67 9.950 11.528 -5.900 1.00 31.25 H new ATOM 0 HH11 ARG A 67 10.196 8.591 -3.959 1.00 24.11 H new ATOM 0 HH12 ARG A 67 11.348 7.823 -5.057 1.00 24.11 H new ATOM 0 HH21 ARG A 67 11.429 10.536 -7.305 1.00 45.21 H new ATOM 0 HH22 ARG A 67 12.043 8.920 -6.943 1.00 45.21 H new ATOM 1143 N VAL A 68 4.323 9.383 -4.531 1.00 32.03 N ATOM 1144 CA VAL A 68 3.411 9.986 -5.496 1.00 25.41 C ATOM 1145 C VAL A 68 3.273 11.485 -5.259 1.00 1.34 C ATOM 1146 O VAL A 68 3.680 12.000 -4.218 1.00 24.11 O ATOM 1147 CB VAL A 68 2.015 9.336 -5.429 1.00 5.32 C ATOM 1148 CG1 VAL A 68 2.103 7.853 -5.748 1.00 71.42 C ATOM 1149 CG2 VAL A 68 1.388 9.561 -4.062 1.00 25.14 C ATOM 0 H VAL A 68 4.052 9.515 -3.556 1.00 32.03 H new ATOM 0 HA VAL A 68 3.837 9.815 -6.485 1.00 25.41 H new ATOM 0 HB VAL A 68 1.377 9.807 -6.177 1.00 5.32 H new ATOM 0 HG11 VAL A 68 1.108 7.410 -5.696 1.00 71.42 H new ATOM 0 HG12 VAL A 68 2.508 7.720 -6.751 1.00 71.42 H new ATOM 0 HG13 VAL A 68 2.756 7.364 -5.026 1.00 71.42 H new ATOM 0 HG21 VAL A 68 0.403 9.095 -4.032 1.00 25.14 H new ATOM 0 HG22 VAL A 68 2.022 9.118 -3.294 1.00 25.14 H new ATOM 0 HG23 VAL A 68 1.289 10.631 -3.879 1.00 25.14 H new ATOM 1159 N ARG A 69 2.696 12.181 -6.233 1.00 22.03 N ATOM 1160 CA ARG A 69 2.505 13.623 -6.132 1.00 51.54 C ATOM 1161 C ARG A 69 1.030 13.988 -6.275 1.00 62.41 C ATOM 1162 O ARG A 69 0.275 13.300 -6.961 1.00 25.51 O ATOM 1163 CB ARG A 69 3.325 14.345 -7.203 1.00 64.33 C ATOM 1164 CG ARG A 69 3.454 15.841 -6.968 1.00 12.04 C ATOM 1165 CD ARG A 69 3.943 16.562 -8.214 1.00 55.44 C ATOM 1166 NE ARG A 69 2.861 16.808 -9.164 1.00 60.52 N ATOM 1167 CZ ARG A 69 3.046 17.345 -10.365 1.00 2.03 C ATOM 1168 NH1 ARG A 69 4.264 17.691 -10.760 1.00 31.01 N ATOM 1169 NH2 ARG A 69 2.012 17.538 -11.172 1.00 15.14 N ATOM 0 H ARG A 69 2.353 11.770 -7.101 1.00 22.03 H new ATOM 0 HA ARG A 69 2.847 13.940 -5.147 1.00 51.54 H new ATOM 0 HB2 ARG A 69 4.322 13.905 -7.243 1.00 64.33 H new ATOM 0 HB3 ARG A 69 2.863 14.177 -8.176 1.00 64.33 H new ATOM 0 HG2 ARG A 69 2.488 16.247 -6.667 1.00 12.04 H new ATOM 0 HG3 ARG A 69 4.147 16.023 -6.146 1.00 12.04 H new ATOM 0 HD2 ARG A 69 4.398 17.511 -7.929 1.00 55.44 H new ATOM 0 HD3 ARG A 69 4.720 15.968 -8.695 1.00 55.44 H new ATOM 0 HE ARG A 69 1.912 16.554 -8.890 1.00 60.52 H new ATOM 0 HH11 ARG A 69 5.062 17.545 -10.141 1.00 31.01 H new ATOM 0 HH12 ARG A 69 4.403 18.103 -11.683 1.00 31.01 H new ATOM 0 HH21 ARG A 69 1.074 17.274 -10.871 1.00 15.14 H new ATOM 0 HH22 ARG A 69 2.155 17.950 -12.094 1.00 15.14 H new ATOM 1183 N ASN A 70 0.629 15.074 -5.623 1.00 12.43 N ATOM 1184 CA ASN A 70 -0.756 15.530 -5.677 1.00 74.21 C ATOM 1185 C ASN A 70 -0.899 16.730 -6.608 1.00 50.25 C ATOM 1186 O ASN A 70 0.076 17.181 -7.209 1.00 22.24 O ATOM 1187 CB ASN A 70 -1.248 15.895 -4.276 1.00 14.22 C ATOM 1188 CG ASN A 70 -0.146 16.466 -3.406 1.00 4.31 C ATOM 1189 OD1 ASN A 70 0.802 15.767 -3.047 1.00 21.34 O ATOM 1190 ND2 ASN A 70 -0.265 17.745 -3.062 1.00 42.35 N ATOM 0 H ASN A 70 1.242 15.655 -5.051 1.00 12.43 H new ATOM 0 HA ASN A 70 -1.366 14.716 -6.069 1.00 74.21 H new ATOM 0 HB2 ASN A 70 -2.057 16.621 -4.356 1.00 14.22 H new ATOM 0 HB3 ASN A 70 -1.662 15.008 -3.797 1.00 14.22 H new ATOM 0 HD21 ASN A 70 0.446 18.184 -2.478 1.00 42.35 H new ATOM 0 HD22 ASN A 70 -1.068 18.287 -3.382 1.00 42.35 H new ATOM 1197 N ALA A 71 -2.120 17.240 -6.723 1.00 1.10 N ATOM 1198 CA ALA A 71 -2.390 18.389 -7.578 1.00 54.31 C ATOM 1199 C ALA A 71 -1.645 19.626 -7.089 1.00 22.55 C ATOM 1200 O ALA A 71 -1.504 20.607 -7.817 1.00 1.43 O ATOM 1201 CB ALA A 71 -3.886 18.662 -7.641 1.00 64.41 C ATOM 0 H ALA A 71 -2.938 16.876 -6.235 1.00 1.10 H new ATOM 0 HA ALA A 71 -2.032 18.155 -8.581 1.00 54.31 H new ATOM 0 HB1 ALA A 71 -4.072 19.523 -8.283 1.00 64.41 H new ATOM 0 HB2 ALA A 71 -4.398 17.789 -8.046 1.00 64.41 H new ATOM 0 HB3 ALA A 71 -4.261 18.869 -6.639 1.00 64.41 H new ATOM 1207 N ALA A 72 -1.172 19.573 -5.848 1.00 61.45 N ATOM 1208 CA ALA A 72 -0.440 20.689 -5.261 1.00 42.11 C ATOM 1209 C ALA A 72 1.032 20.651 -5.658 1.00 55.55 C ATOM 1210 O ALA A 72 1.838 21.441 -5.170 1.00 24.10 O ATOM 1211 CB ALA A 72 -0.579 20.673 -3.746 1.00 52.12 C ATOM 0 H ALA A 72 -1.283 18.769 -5.230 1.00 61.45 H new ATOM 0 HA ALA A 72 -0.869 21.614 -5.645 1.00 42.11 H new ATOM 0 HB1 ALA A 72 -0.027 21.512 -3.321 1.00 52.12 H new ATOM 0 HB2 ALA A 72 -1.632 20.757 -3.476 1.00 52.12 H new ATOM 0 HB3 ALA A 72 -0.177 19.739 -3.354 1.00 52.12 H new ATOM 1217 N ASN A 73 1.376 19.726 -6.550 1.00 61.51 N ATOM 1218 CA ASN A 73 2.751 19.584 -7.013 1.00 32.24 C ATOM 1219 C ASN A 73 3.663 19.133 -5.876 1.00 41.53 C ATOM 1220 O ASN A 73 4.888 19.199 -5.986 1.00 62.24 O ATOM 1221 CB ASN A 73 3.256 20.908 -7.590 1.00 52.32 C ATOM 1222 CG ASN A 73 2.149 21.710 -8.249 1.00 74.05 C ATOM 1223 OD1 ASN A 73 1.450 21.214 -9.136 1.00 24.43 O ATOM 1224 ND2 ASN A 73 1.986 22.954 -7.820 1.00 35.45 N ATOM 0 H ASN A 73 0.721 19.064 -6.966 1.00 61.51 H new ATOM 0 HA ASN A 73 2.769 18.824 -7.794 1.00 32.24 H new ATOM 0 HB2 ASN A 73 3.706 21.501 -6.793 1.00 52.32 H new ATOM 0 HB3 ASN A 73 4.040 20.708 -8.320 1.00 52.32 H new ATOM 0 HD21 ASN A 73 1.259 23.542 -8.226 1.00 35.45 H new ATOM 0 HD22 ASN A 73 2.588 23.322 -7.084 1.00 35.45 H new ATOM 1231 N ARG A 74 3.058 18.674 -4.786 1.00 60.44 N ATOM 1232 CA ARG A 74 3.817 18.211 -3.629 1.00 33.21 C ATOM 1233 C ARG A 74 4.043 16.704 -3.695 1.00 65.32 C ATOM 1234 O ARG A 74 3.160 15.949 -4.101 1.00 51.13 O ATOM 1235 CB ARG A 74 3.083 18.572 -2.335 1.00 72.33 C ATOM 1236 CG ARG A 74 3.988 18.619 -1.115 1.00 71.12 C ATOM 1237 CD ARG A 74 4.558 20.012 -0.897 1.00 51.43 C ATOM 1238 NE ARG A 74 5.896 19.970 -0.315 1.00 24.42 N ATOM 1239 CZ ARG A 74 6.588 21.056 0.015 1.00 22.11 C ATOM 1240 NH1 ARG A 74 6.069 22.261 -0.180 1.00 21.53 N ATOM 1241 NH2 ARG A 74 7.800 20.938 0.541 1.00 63.24 N ATOM 0 H ARG A 74 2.046 18.612 -4.679 1.00 60.44 H new ATOM 0 HA ARG A 74 4.788 18.707 -3.639 1.00 33.21 H new ATOM 0 HB2 ARG A 74 2.603 19.543 -2.458 1.00 72.33 H new ATOM 0 HB3 ARG A 74 2.291 17.844 -2.161 1.00 72.33 H new ATOM 0 HG2 ARG A 74 3.427 18.312 -0.232 1.00 71.12 H new ATOM 0 HG3 ARG A 74 4.803 17.906 -1.238 1.00 71.12 H new ATOM 0 HD2 ARG A 74 4.593 20.542 -1.849 1.00 51.43 H new ATOM 0 HD3 ARG A 74 3.895 20.577 -0.241 1.00 51.43 H new ATOM 0 HE ARG A 74 6.323 19.058 -0.153 1.00 24.42 H new ATOM 0 HH11 ARG A 74 5.137 22.356 -0.584 1.00 21.53 H new ATOM 0 HH12 ARG A 74 6.602 23.093 0.074 1.00 21.53 H new ATOM 0 HH21 ARG A 74 8.202 20.013 0.693 1.00 63.24 H new ATOM 0 HH22 ARG A 74 8.330 21.772 0.794 1.00 63.24 H new ATOM 1255 N THR A 75 5.235 16.272 -3.293 1.00 41.13 N ATOM 1256 CA THR A 75 5.580 14.856 -3.308 1.00 52.42 C ATOM 1257 C THR A 75 5.801 14.329 -1.895 1.00 25.30 C ATOM 1258 O THR A 75 6.445 14.981 -1.073 1.00 32.20 O ATOM 1259 CB THR A 75 6.846 14.595 -4.145 1.00 52.42 C ATOM 1260 OG1 THR A 75 7.922 15.416 -3.678 1.00 23.20 O ATOM 1261 CG2 THR A 75 6.589 14.878 -5.618 1.00 34.21 C ATOM 0 H THR A 75 5.977 16.883 -2.953 1.00 41.13 H new ATOM 0 HA THR A 75 4.739 14.331 -3.761 1.00 52.42 H new ATOM 0 HB THR A 75 7.117 13.545 -4.034 1.00 52.42 H new ATOM 0 HG1 THR A 75 8.723 15.242 -4.215 1.00 23.20 H new ATOM 0 HG21 THR A 75 7.497 14.687 -6.189 1.00 34.21 H new ATOM 0 HG22 THR A 75 5.790 14.230 -5.979 1.00 34.21 H new ATOM 0 HG23 THR A 75 6.295 15.920 -5.742 1.00 34.21 H new ATOM 1269 N GLY A 76 5.264 13.145 -1.618 1.00 63.13 N ATOM 1270 CA GLY A 76 5.416 12.551 -0.303 1.00 65.33 C ATOM 1271 C GLY A 76 5.490 11.037 -0.356 1.00 30.23 C ATOM 1272 O GLY A 76 5.078 10.423 -1.340 1.00 45.32 O ATOM 0 H GLY A 76 4.726 12.587 -2.281 1.00 63.13 H new ATOM 0 HA2 GLY A 76 6.320 12.940 0.166 1.00 65.33 H new ATOM 0 HA3 GLY A 76 4.577 12.849 0.326 1.00 65.33 H new ATOM 1276 N TYR A 77 6.015 10.436 0.706 1.00 62.44 N ATOM 1277 CA TYR A 77 6.147 8.985 0.776 1.00 55.23 C ATOM 1278 C TYR A 77 4.915 8.358 1.421 1.00 73.02 C ATOM 1279 O TYR A 77 4.281 8.958 2.290 1.00 60.41 O ATOM 1280 CB TYR A 77 7.400 8.601 1.562 1.00 3.45 C ATOM 1281 CG TYR A 77 8.686 8.831 0.801 1.00 71.41 C ATOM 1282 CD1 TYR A 77 9.271 10.089 0.750 1.00 61.22 C ATOM 1283 CD2 TYR A 77 9.317 7.788 0.133 1.00 71.23 C ATOM 1284 CE1 TYR A 77 10.446 10.304 0.055 1.00 71.33 C ATOM 1285 CE2 TYR A 77 10.492 7.992 -0.562 1.00 1.12 C ATOM 1286 CZ TYR A 77 11.053 9.252 -0.599 1.00 23.43 C ATOM 1287 OH TYR A 77 12.224 9.461 -1.292 1.00 72.43 O ATOM 0 H TYR A 77 6.356 10.931 1.530 1.00 62.44 H new ATOM 0 HA TYR A 77 6.236 8.605 -0.242 1.00 55.23 H new ATOM 0 HB2 TYR A 77 7.428 9.175 2.488 1.00 3.45 H new ATOM 0 HB3 TYR A 77 7.336 7.549 1.841 1.00 3.45 H new ATOM 0 HD1 TYR A 77 8.799 10.914 1.263 1.00 61.22 H new ATOM 0 HD2 TYR A 77 8.880 6.801 0.158 1.00 71.23 H new ATOM 0 HE1 TYR A 77 10.886 11.290 0.024 1.00 71.33 H new ATOM 0 HE2 TYR A 77 10.970 7.170 -1.074 1.00 1.12 H new ATOM 0 HH TYR A 77 12.521 8.618 -1.694 1.00 72.43 H new ATOM 1297 N VAL A 78 4.581 7.145 0.990 1.00 32.53 N ATOM 1298 CA VAL A 78 3.426 6.434 1.527 1.00 24.10 C ATOM 1299 C VAL A 78 3.591 4.926 1.375 1.00 42.13 C ATOM 1300 O VAL A 78 4.204 4.436 0.427 1.00 52.43 O ATOM 1301 CB VAL A 78 2.125 6.870 0.829 1.00 72.12 C ATOM 1302 CG1 VAL A 78 1.679 8.234 1.335 1.00 52.41 C ATOM 1303 CG2 VAL A 78 2.309 6.886 -0.681 1.00 43.42 C ATOM 0 H VAL A 78 5.094 6.635 0.271 1.00 32.53 H new ATOM 0 HA VAL A 78 3.363 6.685 2.586 1.00 24.10 H new ATOM 0 HB VAL A 78 1.345 6.147 1.069 1.00 72.12 H new ATOM 0 HG11 VAL A 78 0.758 8.526 0.830 1.00 52.41 H new ATOM 0 HG12 VAL A 78 1.504 8.184 2.410 1.00 52.41 H new ATOM 0 HG13 VAL A 78 2.455 8.971 1.128 1.00 52.41 H new ATOM 0 HG21 VAL A 78 1.379 7.197 -1.158 1.00 43.42 H new ATOM 0 HG22 VAL A 78 3.103 7.586 -0.943 1.00 43.42 H new ATOM 0 HG23 VAL A 78 2.577 5.887 -1.025 1.00 43.42 H new ATOM 1313 N PRO A 79 3.030 4.171 2.331 1.00 61.15 N ATOM 1314 CA PRO A 79 3.100 2.707 2.326 1.00 51.25 C ATOM 1315 C PRO A 79 2.262 2.090 1.211 1.00 60.31 C ATOM 1316 O PRO A 79 1.063 2.347 1.109 1.00 61.02 O ATOM 1317 CB PRO A 79 2.537 2.319 3.696 1.00 52.31 C ATOM 1318 CG PRO A 79 1.651 3.456 4.075 1.00 51.21 C ATOM 1319 CD PRO A 79 2.286 4.688 3.491 1.00 71.22 C ATOM 0 HA PRO A 79 4.114 2.349 2.150 1.00 51.25 H new ATOM 0 HB2 PRO A 79 1.981 1.383 3.645 1.00 52.31 H new ATOM 0 HB3 PRO A 79 3.334 2.177 4.426 1.00 52.31 H new ATOM 0 HG2 PRO A 79 0.644 3.313 3.684 1.00 51.21 H new ATOM 0 HG3 PRO A 79 1.563 3.538 5.158 1.00 51.21 H new ATOM 0 HD2 PRO A 79 1.538 5.423 3.194 1.00 71.22 H new ATOM 0 HD3 PRO A 79 2.947 5.177 4.207 1.00 71.22 H new ATOM 1327 N SER A 80 2.902 1.276 0.378 1.00 74.54 N ATOM 1328 CA SER A 80 2.215 0.626 -0.732 1.00 61.44 C ATOM 1329 C SER A 80 1.105 -0.290 -0.223 1.00 13.41 C ATOM 1330 O SER A 80 0.221 -0.690 -0.978 1.00 40.13 O ATOM 1331 CB SER A 80 3.208 -0.179 -1.573 1.00 42.11 C ATOM 1332 OG SER A 80 2.542 -0.920 -2.580 1.00 11.52 O ATOM 0 H SER A 80 3.894 1.051 0.450 1.00 74.54 H new ATOM 0 HA SER A 80 1.767 1.402 -1.353 1.00 61.44 H new ATOM 0 HB2 SER A 80 3.931 0.495 -2.032 1.00 42.11 H new ATOM 0 HB3 SER A 80 3.768 -0.857 -0.929 1.00 42.11 H new ATOM 0 HG SER A 80 2.676 -0.486 -3.448 1.00 11.52 H new ATOM 1338 N ASN A 81 1.159 -0.614 1.064 1.00 1.44 N ATOM 1339 CA ASN A 81 0.159 -1.483 1.676 1.00 12.54 C ATOM 1340 C ASN A 81 -1.189 -0.774 1.772 1.00 25.40 C ATOM 1341 O ASN A 81 -2.242 -1.404 1.677 1.00 71.41 O ATOM 1342 CB ASN A 81 0.617 -1.922 3.068 1.00 53.52 C ATOM 1343 CG ASN A 81 1.398 -3.221 3.034 1.00 60.25 C ATOM 1344 OD1 ASN A 81 1.769 -3.708 1.966 1.00 72.52 O ATOM 1345 ND2 ASN A 81 1.650 -3.790 4.208 1.00 51.04 N ATOM 0 H ASN A 81 1.884 -0.289 1.704 1.00 1.44 H new ATOM 0 HA ASN A 81 0.043 -2.364 1.045 1.00 12.54 H new ATOM 0 HB2 ASN A 81 1.236 -1.140 3.508 1.00 53.52 H new ATOM 0 HB3 ASN A 81 -0.253 -2.041 3.714 1.00 53.52 H new ATOM 0 HD21 ASN A 81 2.171 -4.666 4.249 1.00 51.04 H new ATOM 0 HD22 ASN A 81 1.323 -3.351 5.068 1.00 51.04 H new ATOM 1352 N TYR A 82 -1.148 0.540 1.964 1.00 0.23 N ATOM 1353 CA TYR A 82 -2.366 1.335 2.076 1.00 71.44 C ATOM 1354 C TYR A 82 -2.734 1.960 0.734 1.00 74.13 C ATOM 1355 O TYR A 82 -3.692 2.726 0.634 1.00 60.20 O ATOM 1356 CB TYR A 82 -2.191 2.429 3.130 1.00 40.20 C ATOM 1357 CG TYR A 82 -2.183 1.907 4.549 1.00 0.34 C ATOM 1358 CD1 TYR A 82 -3.052 0.897 4.943 1.00 3.12 C ATOM 1359 CD2 TYR A 82 -1.309 2.426 5.496 1.00 23.22 C ATOM 1360 CE1 TYR A 82 -3.049 0.418 6.238 1.00 60.41 C ATOM 1361 CE2 TYR A 82 -1.298 1.952 6.794 1.00 1.42 C ATOM 1362 CZ TYR A 82 -2.171 0.949 7.160 1.00 41.12 C ATOM 1363 OH TYR A 82 -2.163 0.474 8.453 1.00 13.02 O ATOM 0 H TYR A 82 -0.285 1.077 2.045 1.00 0.23 H new ATOM 0 HA TYR A 82 -3.175 0.672 2.381 1.00 71.44 H new ATOM 0 HB2 TYR A 82 -1.257 2.958 2.941 1.00 40.20 H new ATOM 0 HB3 TYR A 82 -2.996 3.156 3.024 1.00 40.20 H new ATOM 0 HD1 TYR A 82 -3.741 0.480 4.224 1.00 3.12 H new ATOM 0 HD2 TYR A 82 -0.626 3.214 5.213 1.00 23.22 H new ATOM 0 HE1 TYR A 82 -3.730 -0.368 6.528 1.00 60.41 H new ATOM 0 HE2 TYR A 82 -0.610 2.364 7.517 1.00 1.42 H new ATOM 0 HH TYR A 82 -1.428 -0.164 8.562 1.00 13.02 H new ATOM 1373 N VAL A 83 -1.967 1.624 -0.299 1.00 4.03 N ATOM 1374 CA VAL A 83 -2.211 2.150 -1.637 1.00 33.54 C ATOM 1375 C VAL A 83 -2.413 1.022 -2.641 1.00 31.44 C ATOM 1376 O VAL A 83 -2.004 -0.114 -2.404 1.00 44.23 O ATOM 1377 CB VAL A 83 -1.050 3.043 -2.110 1.00 43.01 C ATOM 1378 CG1 VAL A 83 -0.050 2.233 -2.920 1.00 44.21 C ATOM 1379 CG2 VAL A 83 -1.577 4.218 -2.918 1.00 54.03 C ATOM 0 H VAL A 83 -1.171 0.989 -0.234 1.00 4.03 H new ATOM 0 HA VAL A 83 -3.119 2.750 -1.581 1.00 33.54 H new ATOM 0 HB VAL A 83 -0.536 3.437 -1.233 1.00 43.01 H new ATOM 0 HG11 VAL A 83 0.764 2.881 -3.246 1.00 44.21 H new ATOM 0 HG12 VAL A 83 0.351 1.429 -2.303 1.00 44.21 H new ATOM 0 HG13 VAL A 83 -0.547 1.808 -3.792 1.00 44.21 H new ATOM 0 HG21 VAL A 83 -0.742 4.839 -3.244 1.00 54.03 H new ATOM 0 HG22 VAL A 83 -2.116 3.847 -3.790 1.00 54.03 H new ATOM 0 HG23 VAL A 83 -2.251 4.812 -2.300 1.00 54.03 H new ATOM 1389 N GLU A 84 -3.047 1.343 -3.766 1.00 64.31 N ATOM 1390 CA GLU A 84 -3.302 0.356 -4.807 1.00 71.24 C ATOM 1391 C GLU A 84 -3.612 1.035 -6.137 1.00 2.42 C ATOM 1392 O GLU A 84 -4.578 1.789 -6.250 1.00 15.53 O ATOM 1393 CB GLU A 84 -4.465 -0.554 -4.403 1.00 63.43 C ATOM 1394 CG GLU A 84 -4.641 -1.757 -5.315 1.00 44.32 C ATOM 1395 CD GLU A 84 -4.804 -3.053 -4.547 1.00 31.34 C ATOM 1396 OE1 GLU A 84 -5.890 -3.267 -3.968 1.00 53.25 O ATOM 1397 OE2 GLU A 84 -3.846 -3.854 -4.522 1.00 24.32 O ATOM 0 H GLU A 84 -3.393 2.279 -3.978 1.00 64.31 H new ATOM 0 HA GLU A 84 -2.402 -0.247 -4.928 1.00 71.24 H new ATOM 0 HB2 GLU A 84 -4.305 -0.902 -3.383 1.00 63.43 H new ATOM 0 HB3 GLU A 84 -5.387 0.028 -4.401 1.00 63.43 H new ATOM 0 HG2 GLU A 84 -5.514 -1.603 -5.949 1.00 44.32 H new ATOM 0 HG3 GLU A 84 -3.778 -1.837 -5.975 1.00 44.32 H new ATOM 1404 N ARG A 85 -2.785 0.764 -7.142 1.00 31.41 N ATOM 1405 CA ARG A 85 -2.968 1.351 -8.463 1.00 34.32 C ATOM 1406 C ARG A 85 -4.368 1.061 -8.996 1.00 32.32 C ATOM 1407 O ARG A 85 -4.780 -0.095 -9.094 1.00 32.01 O ATOM 1408 CB ARG A 85 -1.918 0.810 -9.434 1.00 74.23 C ATOM 1409 CG ARG A 85 -0.516 1.337 -9.172 1.00 54.40 C ATOM 1410 CD ARG A 85 0.330 0.319 -8.425 1.00 73.42 C ATOM 1411 NE ARG A 85 0.441 -0.942 -9.153 1.00 71.10 N ATOM 1412 CZ ARG A 85 1.190 -1.100 -10.239 1.00 11.24 C ATOM 1413 NH1 ARG A 85 1.890 -0.081 -10.718 1.00 50.05 N ATOM 1414 NH2 ARG A 85 1.241 -2.278 -10.847 1.00 30.35 N ATOM 0 H ARG A 85 -1.981 0.141 -7.066 1.00 31.41 H new ATOM 0 HA ARG A 85 -2.848 2.431 -8.374 1.00 34.32 H new ATOM 0 HB2 ARG A 85 -1.905 -0.278 -9.373 1.00 74.23 H new ATOM 0 HB3 ARG A 85 -2.210 1.068 -10.452 1.00 74.23 H new ATOM 0 HG2 ARG A 85 -0.037 1.586 -10.119 1.00 54.40 H new ATOM 0 HG3 ARG A 85 -0.575 2.258 -8.593 1.00 54.40 H new ATOM 0 HD2 ARG A 85 1.326 0.729 -8.257 1.00 73.42 H new ATOM 0 HD3 ARG A 85 -0.108 0.134 -7.444 1.00 73.42 H new ATOM 0 HE ARG A 85 -0.085 -1.745 -8.809 1.00 71.10 H new ATOM 0 HH11 ARG A 85 1.854 0.826 -10.253 1.00 50.05 H new ATOM 0 HH12 ARG A 85 2.464 -0.204 -11.552 1.00 50.05 H new ATOM 0 HH21 ARG A 85 0.705 -3.065 -10.481 1.00 30.35 H new ATOM 0 HH22 ARG A 85 1.817 -2.397 -11.681 1.00 30.35 H new ATOM 1428 N LYS A 86 -5.096 2.118 -9.339 1.00 32.21 N ATOM 1429 CA LYS A 86 -6.449 1.979 -9.864 1.00 13.23 C ATOM 1430 C LYS A 86 -6.787 3.124 -10.813 1.00 3.20 C ATOM 1431 O LYS A 86 -7.123 2.902 -11.975 1.00 52.34 O ATOM 1432 CB LYS A 86 -7.462 1.940 -8.716 1.00 21.24 C ATOM 1433 CG LYS A 86 -8.037 0.557 -8.460 1.00 65.41 C ATOM 1434 CD LYS A 86 -8.828 0.052 -9.654 1.00 21.31 C ATOM 1435 CE LYS A 86 -9.905 -0.935 -9.232 1.00 13.00 C ATOM 1436 NZ LYS A 86 -10.388 -1.752 -10.378 1.00 54.42 N ATOM 0 H LYS A 86 -4.771 3.082 -9.263 1.00 32.21 H new ATOM 0 HA LYS A 86 -6.500 1.043 -10.420 1.00 13.23 H new ATOM 0 HB2 LYS A 86 -6.981 2.299 -7.806 1.00 21.24 H new ATOM 0 HB3 LYS A 86 -8.278 2.628 -8.938 1.00 21.24 H new ATOM 0 HG2 LYS A 86 -7.228 -0.139 -8.238 1.00 65.41 H new ATOM 0 HG3 LYS A 86 -8.682 0.587 -7.582 1.00 65.41 H new ATOM 0 HD2 LYS A 86 -9.288 0.895 -10.170 1.00 21.31 H new ATOM 0 HD3 LYS A 86 -8.153 -0.426 -10.363 1.00 21.31 H new ATOM 0 HE2 LYS A 86 -9.511 -1.593 -8.457 1.00 13.00 H new ATOM 0 HE3 LYS A 86 -10.743 -0.393 -8.794 1.00 13.00 H new ATOM 0 HZ1 LYS A 86 -11.121 -2.412 -10.049 1.00 54.42 H new ATOM 0 HZ2 LYS A 86 -10.787 -1.126 -11.107 1.00 54.42 H new ATOM 0 HZ3 LYS A 86 -9.594 -2.289 -10.780 1.00 54.42 H new