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 30:sc=-0.00434 USER MOD Set 1.2: A 82 TYR OH : rot -70:sc= 1.25 USER MOD Set 2.1: A 80 SER OG : rot -108:sc= 1.24 USER MOD Set 2.2: A 81 ASN : amide:sc= 0 K(o=1.2,f=-0.25) USER MOD Set 3.1: A 14 TYR OH : rot -130:sc= -0.317 USER MOD Set 3.2: A 44 GLN : amide:sc= -0.92 K(o=-1.2,f=1.5) USER MOD Single : A 11 ASN : amide:sc= -1.85! C(o=-1.8!,f=-1.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.41 K(o=-2.4,f=-9.8!) USER MOD Single : A 46 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.048) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00705) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.452 K(o=-0.45,f=-1.6) 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 50:sc= -1.97 USER MOD Single : A 70 ASN : amide:sc= -6.06! C(o=-6.1!,f=-12!) USER MOD Single : A 73 ASN : amide:sc= -0.738 X(o=-0.74,f=-1.2) 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 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.965 -3.119 12.416 1.00 53.55 N ATOM 74 CA ARG A 5 -8.176 -2.252 11.549 1.00 3.24 C ATOM 75 C ARG A 5 -7.039 -3.029 10.891 1.00 53.24 C ATOM 76 O ARG A 5 -6.645 -4.104 11.345 1.00 71.01 O ATOM 77 CB ARG A 5 -7.607 -1.078 12.349 1.00 21.11 C ATOM 78 CG ARG A 5 -8.483 0.164 12.311 1.00 21.15 C ATOM 79 CD ARG A 5 -7.655 1.424 12.120 1.00 11.10 C ATOM 80 NE ARG A 5 -8.275 2.588 12.747 1.00 5.41 N ATOM 81 CZ ARG A 5 -8.247 2.821 14.054 1.00 35.13 C ATOM 82 NH1 ARG A 5 -7.634 1.973 14.869 1.00 21.14 N ATOM 83 NH2 ARG A 5 -8.835 3.902 14.550 1.00 75.24 N ATOM 0 HA ARG A 5 -8.832 -1.869 10.767 1.00 3.24 H new ATOM 0 HB2 ARG A 5 -7.473 -1.386 13.386 1.00 21.11 H new ATOM 0 HB3 ARG A 5 -6.620 -0.828 11.960 1.00 21.11 H new ATOM 0 HG2 ARG A 5 -9.206 0.076 11.500 1.00 21.15 H new ATOM 0 HG3 ARG A 5 -9.052 0.238 13.238 1.00 21.15 H new ATOM 0 HD2 ARG A 5 -6.661 1.272 12.541 1.00 11.10 H new ATOM 0 HD3 ARG A 5 -7.524 1.613 11.055 1.00 11.10 H new ATOM 0 HE ARG A 5 -8.756 3.259 12.148 1.00 5.41 H new ATOM 0 HH11 ARG A 5 -7.183 1.140 14.492 1.00 21.14 H new ATOM 0 HH12 ARG A 5 -7.614 2.154 15.873 1.00 21.14 H new ATOM 0 HH21 ARG A 5 -9.310 4.556 13.927 1.00 75.24 H new ATOM 0 HH22 ARG A 5 -8.813 4.079 15.554 1.00 75.24 H new ATOM 97 N PRO A 6 -6.502 -2.477 9.794 1.00 2.22 N ATOM 98 CA PRO A 6 -5.404 -3.102 9.050 1.00 44.40 C ATOM 99 C PRO A 6 -4.091 -3.079 9.824 1.00 25.22 C ATOM 100 O PRO A 6 -3.953 -2.395 10.839 1.00 21.14 O ATOM 101 CB PRO A 6 -5.295 -2.239 7.789 1.00 52.24 C ATOM 102 CG PRO A 6 -5.844 -0.914 8.188 1.00 15.15 C ATOM 103 CD PRO A 6 -6.922 -1.198 9.196 1.00 23.54 C ATOM 0 HA PRO A 6 -5.597 -4.156 8.849 1.00 44.40 H new ATOM 0 HB2 PRO A 6 -4.261 -2.155 7.455 1.00 52.24 H new ATOM 0 HB3 PRO A 6 -5.862 -2.670 6.964 1.00 52.24 H new ATOM 0 HG2 PRO A 6 -5.066 -0.282 8.617 1.00 15.15 H new ATOM 0 HG3 PRO A 6 -6.247 -0.383 7.326 1.00 15.15 H new ATOM 0 HD2 PRO A 6 -6.991 -0.408 9.944 1.00 23.54 H new ATOM 0 HD3 PRO A 6 -7.902 -1.277 8.725 1.00 23.54 H new ATOM 111 N PRO A 7 -3.103 -3.844 9.338 1.00 4.44 N ATOM 112 CA PRO A 7 -1.782 -3.928 9.970 1.00 10.24 C ATOM 113 C PRO A 7 -0.986 -2.634 9.825 1.00 0.05 C ATOM 114 O PRO A 7 -1.348 -1.738 9.062 1.00 3.15 O ATOM 115 CB PRO A 7 -1.096 -5.065 9.209 1.00 3.33 C ATOM 116 CG PRO A 7 -1.771 -5.094 7.882 1.00 74.41 C ATOM 117 CD PRO A 7 -3.197 -4.685 8.133 1.00 4.51 C ATOM 0 HA PRO A 7 -1.855 -4.098 11.044 1.00 10.24 H new ATOM 0 HB2 PRO A 7 -0.026 -4.883 9.105 1.00 3.33 H new ATOM 0 HB3 PRO A 7 -1.208 -6.015 9.731 1.00 3.33 H new ATOM 0 HG2 PRO A 7 -1.287 -4.412 7.183 1.00 74.41 H new ATOM 0 HG3 PRO A 7 -1.722 -6.090 7.441 1.00 74.41 H new ATOM 0 HD2 PRO A 7 -3.611 -4.133 7.289 1.00 4.51 H new ATOM 0 HD3 PRO A 7 -3.840 -5.550 8.295 1.00 4.51 H new ATOM 125 N PRO A 8 0.123 -2.534 10.572 1.00 70.44 N ATOM 126 CA PRO A 8 0.992 -1.355 10.542 1.00 5.10 C ATOM 127 C PRO A 8 1.751 -1.226 9.225 1.00 34.53 C ATOM 128 O PRO A 8 1.665 -2.097 8.360 1.00 62.22 O ATOM 129 CB PRO A 8 1.967 -1.605 11.697 1.00 4.52 C ATOM 130 CG PRO A 8 1.993 -3.085 11.858 1.00 43.32 C ATOM 131 CD PRO A 8 0.614 -3.564 11.503 1.00 53.15 C ATOM 0 HA PRO A 8 0.425 -0.429 10.635 1.00 5.10 H new ATOM 0 HB2 PRO A 8 2.959 -1.214 11.469 1.00 4.52 H new ATOM 0 HB3 PRO A 8 1.633 -1.113 12.611 1.00 4.52 H new ATOM 0 HG2 PRO A 8 2.742 -3.535 11.207 1.00 43.32 H new ATOM 0 HG3 PRO A 8 2.251 -3.362 12.880 1.00 43.32 H new ATOM 0 HD2 PRO A 8 0.639 -4.549 11.036 1.00 53.15 H new ATOM 0 HD3 PRO A 8 -0.022 -3.645 12.384 1.00 53.15 H new ATOM 139 N VAL A 9 2.493 -0.133 9.079 1.00 13.42 N ATOM 140 CA VAL A 9 3.266 0.110 7.869 1.00 45.45 C ATOM 141 C VAL A 9 4.220 -1.046 7.585 1.00 52.42 C ATOM 142 O VAL A 9 4.785 -1.655 8.493 1.00 73.33 O ATOM 143 CB VAL A 9 4.077 1.415 7.971 1.00 24.12 C ATOM 144 CG1 VAL A 9 3.173 2.623 7.780 1.00 75.34 C ATOM 145 CG2 VAL A 9 4.802 1.487 9.308 1.00 32.20 C ATOM 0 H VAL A 9 2.575 0.599 9.785 1.00 13.42 H new ATOM 0 HA VAL A 9 2.551 0.199 7.051 1.00 45.45 H new ATOM 0 HB VAL A 9 4.823 1.422 7.177 1.00 24.12 H new ATOM 0 HG11 VAL A 9 3.764 3.536 7.856 1.00 75.34 H new ATOM 0 HG12 VAL A 9 2.704 2.575 6.797 1.00 75.34 H new ATOM 0 HG13 VAL A 9 2.402 2.626 8.550 1.00 75.34 H new ATOM 0 HG21 VAL A 9 5.371 2.415 9.364 1.00 32.20 H new ATOM 0 HG22 VAL A 9 4.074 1.458 10.119 1.00 32.20 H new ATOM 0 HG23 VAL A 9 5.481 0.639 9.400 1.00 32.20 H new ATOM 155 N PRO A 10 4.404 -1.358 6.293 1.00 32.11 N ATOM 156 CA PRO A 10 5.288 -2.443 5.858 1.00 23.13 C ATOM 157 C PRO A 10 6.761 -2.118 6.091 1.00 72.04 C ATOM 158 O PRO A 10 7.502 -1.846 5.149 1.00 0.13 O ATOM 159 CB PRO A 10 4.997 -2.559 4.360 1.00 33.32 C ATOM 160 CG PRO A 10 4.504 -1.211 3.964 1.00 55.15 C ATOM 161 CD PRO A 10 3.761 -0.675 5.157 1.00 44.11 C ATOM 0 HA PRO A 10 5.108 -3.363 6.413 1.00 23.13 H new ATOM 0 HB2 PRO A 10 5.893 -2.832 3.803 1.00 33.32 H new ATOM 0 HB3 PRO A 10 4.251 -3.328 4.160 1.00 33.32 H new ATOM 0 HG2 PRO A 10 5.333 -0.556 3.694 1.00 55.15 H new ATOM 0 HG3 PRO A 10 3.851 -1.274 3.094 1.00 55.15 H new ATOM 0 HD2 PRO A 10 3.853 0.408 5.235 1.00 44.11 H new ATOM 0 HD3 PRO A 10 2.696 -0.901 5.102 1.00 44.11 H new ATOM 169 N ASN A 11 7.176 -2.150 7.353 1.00 3.23 N ATOM 170 CA ASN A 11 8.559 -1.859 7.709 1.00 45.24 C ATOM 171 C ASN A 11 9.120 -0.735 6.844 1.00 32.23 C ATOM 172 O ASN A 11 9.780 -0.967 5.830 1.00 21.53 O ATOM 173 CB ASN A 11 9.423 -3.113 7.556 1.00 62.11 C ATOM 174 CG ASN A 11 9.052 -3.924 6.328 1.00 20.34 C ATOM 175 OD1 ASN A 11 8.191 -4.802 6.388 1.00 32.15 O ATOM 176 ND2 ASN A 11 9.701 -3.631 5.208 1.00 22.31 N ATOM 0 H ASN A 11 6.574 -2.374 8.146 1.00 3.23 H new ATOM 0 HA ASN A 11 8.578 -1.537 8.750 1.00 45.24 H new ATOM 0 HB2 ASN A 11 10.472 -2.823 7.493 1.00 62.11 H new ATOM 0 HB3 ASN A 11 9.317 -3.735 8.445 1.00 62.11 H new ATOM 0 HD21 ASN A 11 9.494 -4.142 4.350 1.00 22.31 H new ATOM 0 HD22 ASN A 11 10.407 -2.895 5.205 1.00 22.31 H new ATOM 183 N PRO A 12 8.850 0.516 7.250 1.00 64.51 N ATOM 184 CA PRO A 12 9.320 1.700 6.527 1.00 14.23 C ATOM 185 C PRO A 12 10.830 1.885 6.634 1.00 13.43 C ATOM 186 O PRO A 12 11.406 1.753 7.714 1.00 51.30 O ATOM 187 CB PRO A 12 8.589 2.852 7.223 1.00 32.34 C ATOM 188 CG PRO A 12 8.301 2.345 8.594 1.00 24.41 C ATOM 189 CD PRO A 12 8.071 0.866 8.449 1.00 14.35 C ATOM 0 HA PRO A 12 9.118 1.632 5.458 1.00 14.23 H new ATOM 0 HB2 PRO A 12 9.205 3.750 7.255 1.00 32.34 H new ATOM 0 HB3 PRO A 12 7.671 3.114 6.697 1.00 32.34 H new ATOM 0 HG2 PRO A 12 9.134 2.546 9.267 1.00 24.41 H new ATOM 0 HG3 PRO A 12 7.424 2.837 9.016 1.00 24.41 H new ATOM 0 HD2 PRO A 12 8.415 0.318 9.326 1.00 14.35 H new ATOM 0 HD3 PRO A 12 7.013 0.634 8.323 1.00 14.35 H new ATOM 197 N ASP A 13 11.464 2.194 5.508 1.00 55.44 N ATOM 198 CA ASP A 13 12.907 2.399 5.475 1.00 74.51 C ATOM 199 C ASP A 13 13.267 3.589 4.591 1.00 71.24 C ATOM 200 O ASP A 13 14.010 3.450 3.619 1.00 5.04 O ATOM 201 CB ASP A 13 13.611 1.140 4.967 1.00 14.01 C ATOM 202 CG ASP A 13 15.016 0.999 5.520 1.00 15.14 C ATOM 203 OD1 ASP A 13 15.258 1.469 6.653 1.00 42.32 O ATOM 204 OD2 ASP A 13 15.873 0.419 4.822 1.00 13.34 O ATOM 0 H ASP A 13 11.001 2.308 4.606 1.00 55.44 H new ATOM 0 HA ASP A 13 13.242 2.609 6.491 1.00 74.51 H new ATOM 0 HB2 ASP A 13 13.025 0.263 5.243 1.00 14.01 H new ATOM 0 HB3 ASP A 13 13.653 1.165 3.878 1.00 14.01 H new ATOM 210 N TYR A 14 12.733 4.756 4.932 1.00 4.13 N ATOM 211 CA TYR A 14 12.995 5.970 4.169 1.00 41.41 C ATOM 212 C TYR A 14 13.951 6.892 4.919 1.00 72.12 C ATOM 213 O TYR A 14 14.570 7.775 4.329 1.00 12.42 O ATOM 214 CB TYR A 14 11.686 6.704 3.872 1.00 62.31 C ATOM 215 CG TYR A 14 10.792 6.857 5.082 1.00 60.24 C ATOM 216 CD1 TYR A 14 11.054 7.821 6.047 1.00 23.04 C ATOM 217 CD2 TYR A 14 9.686 6.035 5.262 1.00 62.22 C ATOM 218 CE1 TYR A 14 10.240 7.965 7.154 1.00 13.24 C ATOM 219 CE2 TYR A 14 8.865 6.172 6.365 1.00 44.34 C ATOM 220 CZ TYR A 14 9.147 7.138 7.309 1.00 54.53 C ATOM 221 OH TYR A 14 8.334 7.276 8.410 1.00 54.40 O ATOM 0 H TYR A 14 12.115 4.887 5.733 1.00 4.13 H new ATOM 0 HA TYR A 14 13.463 5.682 3.228 1.00 41.41 H new ATOM 0 HB2 TYR A 14 11.915 7.692 3.472 1.00 62.31 H new ATOM 0 HB3 TYR A 14 11.144 6.164 3.096 1.00 62.31 H new ATOM 0 HD1 TYR A 14 11.909 8.470 5.930 1.00 23.04 H new ATOM 0 HD2 TYR A 14 9.464 5.276 4.527 1.00 62.22 H new ATOM 0 HE1 TYR A 14 10.458 8.721 7.894 1.00 13.24 H new ATOM 0 HE2 TYR A 14 8.008 5.527 6.487 1.00 44.34 H new ATOM 0 HH TYR A 14 8.200 6.400 8.829 1.00 54.40 H new ATOM 491 N GLU A 31 4.241 8.528 -16.629 1.00 14.54 N ATOM 492 CA GLU A 31 2.912 9.074 -16.375 1.00 22.41 C ATOM 493 C GLU A 31 1.999 8.015 -15.765 1.00 35.05 C ATOM 494 O GLU A 31 1.111 7.486 -16.433 1.00 32.25 O ATOM 495 CB GLU A 31 2.299 9.607 -17.671 1.00 54.04 C ATOM 496 CG GLU A 31 3.233 10.509 -18.462 1.00 22.35 C ATOM 497 CD GLU A 31 3.845 9.809 -19.659 1.00 71.01 C ATOM 498 OE1 GLU A 31 3.181 9.753 -20.715 1.00 44.33 O ATOM 499 OE2 GLU A 31 4.987 9.318 -19.540 1.00 20.34 O ATOM 0 HA GLU A 31 3.013 9.896 -15.666 1.00 22.41 H new ATOM 0 HB2 GLU A 31 2.005 8.765 -18.297 1.00 54.04 H new ATOM 0 HB3 GLU A 31 1.390 10.159 -17.433 1.00 54.04 H new ATOM 0 HG2 GLU A 31 2.683 11.387 -18.801 1.00 22.35 H new ATOM 0 HG3 GLU A 31 4.029 10.865 -17.808 1.00 22.35 H new ATOM 506 N VAL A 32 2.223 7.713 -14.489 1.00 51.33 N ATOM 507 CA VAL A 32 1.420 6.719 -13.787 1.00 0.42 C ATOM 508 C VAL A 32 0.629 7.356 -12.650 1.00 1.01 C ATOM 509 O VAL A 32 0.995 8.419 -12.145 1.00 62.31 O ATOM 510 CB VAL A 32 2.298 5.589 -13.217 1.00 11.12 C ATOM 511 CG1 VAL A 32 1.437 4.413 -12.779 1.00 2.33 C ATOM 512 CG2 VAL A 32 3.331 5.149 -14.245 1.00 64.04 C ATOM 0 H VAL A 32 2.954 8.143 -13.921 1.00 51.33 H new ATOM 0 HA VAL A 32 0.728 6.298 -14.516 1.00 0.42 H new ATOM 0 HB VAL A 32 2.826 5.968 -12.342 1.00 11.12 H new ATOM 0 HG11 VAL A 32 2.074 3.624 -12.379 1.00 2.33 H new ATOM 0 HG12 VAL A 32 0.738 4.740 -12.009 1.00 2.33 H new ATOM 0 HG13 VAL A 32 0.881 4.031 -13.635 1.00 2.33 H new ATOM 0 HG21 VAL A 32 3.943 4.350 -13.827 1.00 64.04 H new ATOM 0 HG22 VAL A 32 2.823 4.787 -15.139 1.00 64.04 H new ATOM 0 HG23 VAL A 32 3.967 5.995 -14.506 1.00 64.04 H new ATOM 522 N ILE A 33 -0.454 6.699 -12.250 1.00 4.53 N ATOM 523 CA ILE A 33 -1.295 7.201 -11.170 1.00 74.03 C ATOM 524 C ILE A 33 -1.770 6.064 -10.270 1.00 13.04 C ATOM 525 O ILE A 33 -2.171 5.004 -10.751 1.00 1.35 O ATOM 526 CB ILE A 33 -2.522 7.956 -11.716 1.00 61.40 C ATOM 527 CG1 ILE A 33 -2.093 9.286 -12.339 1.00 53.23 C ATOM 528 CG2 ILE A 33 -3.539 8.187 -10.607 1.00 65.51 C ATOM 529 CD1 ILE A 33 -3.240 10.070 -12.937 1.00 55.41 C ATOM 0 H ILE A 33 -0.770 5.819 -12.657 1.00 4.53 H new ATOM 0 HA ILE A 33 -0.684 7.891 -10.588 1.00 74.03 H new ATOM 0 HB ILE A 33 -2.990 7.348 -12.490 1.00 61.40 H new ATOM 0 HG12 ILE A 33 -1.606 9.894 -11.577 1.00 53.23 H new ATOM 0 HG13 ILE A 33 -1.352 9.093 -13.115 1.00 53.23 H new ATOM 0 HG21 ILE A 33 -4.400 8.721 -11.008 1.00 65.51 H new ATOM 0 HG22 ILE A 33 -3.863 7.227 -10.205 1.00 65.51 H new ATOM 0 HG23 ILE A 33 -3.083 8.778 -9.813 1.00 65.51 H new ATOM 0 HD11 ILE A 33 -2.863 11.001 -13.360 1.00 55.41 H new ATOM 0 HD12 ILE A 33 -3.714 9.480 -13.722 1.00 55.41 H new ATOM 0 HD13 ILE A 33 -3.971 10.295 -12.160 1.00 55.41 H new ATOM 541 N VAL A 34 -1.725 6.295 -8.962 1.00 73.34 N ATOM 542 CA VAL A 34 -2.153 5.292 -7.995 1.00 31.33 C ATOM 543 C VAL A 34 -3.402 5.746 -7.247 1.00 14.12 C ATOM 544 O VAL A 34 -3.859 6.878 -7.412 1.00 60.14 O ATOM 545 CB VAL A 34 -1.042 4.985 -6.973 1.00 4.33 C ATOM 546 CG1 VAL A 34 -1.193 5.862 -5.740 1.00 12.12 C ATOM 547 CG2 VAL A 34 -1.057 3.513 -6.595 1.00 73.12 C ATOM 0 H VAL A 34 -1.397 7.167 -8.548 1.00 73.34 H new ATOM 0 HA VAL A 34 -2.378 4.387 -8.559 1.00 31.33 H new ATOM 0 HB VAL A 34 -0.079 5.208 -7.432 1.00 4.33 H new ATOM 0 HG11 VAL A 34 -0.399 5.631 -5.030 1.00 12.12 H new ATOM 0 HG12 VAL A 34 -1.127 6.911 -6.029 1.00 12.12 H new ATOM 0 HG13 VAL A 34 -2.161 5.674 -5.276 1.00 12.12 H new ATOM 0 HG21 VAL A 34 -0.265 3.315 -5.872 1.00 73.12 H new ATOM 0 HG22 VAL A 34 -2.022 3.260 -6.155 1.00 73.12 H new ATOM 0 HG23 VAL A 34 -0.895 2.907 -7.486 1.00 73.12 H new ATOM 557 N ILE A 35 -3.951 4.858 -6.427 1.00 70.23 N ATOM 558 CA ILE A 35 -5.146 5.169 -5.653 1.00 34.10 C ATOM 559 C ILE A 35 -4.993 4.729 -4.201 1.00 11.35 C ATOM 560 O ILE A 35 -4.673 3.574 -3.923 1.00 30.32 O ATOM 561 CB ILE A 35 -6.395 4.495 -6.251 1.00 15.50 C ATOM 562 CG1 ILE A 35 -6.414 4.665 -7.772 1.00 53.31 C ATOM 563 CG2 ILE A 35 -7.659 5.075 -5.633 1.00 65.31 C ATOM 564 CD1 ILE A 35 -6.518 6.106 -8.218 1.00 12.54 C ATOM 0 H ILE A 35 -3.587 3.916 -6.281 1.00 70.23 H new ATOM 0 HA ILE A 35 -5.272 6.251 -5.691 1.00 34.10 H new ATOM 0 HB ILE A 35 -6.358 3.430 -6.023 1.00 15.50 H new ATOM 0 HG12 ILE A 35 -5.507 4.229 -8.189 1.00 53.31 H new ATOM 0 HG13 ILE A 35 -7.255 4.105 -8.182 1.00 53.31 H new ATOM 0 HG21 ILE A 35 -8.532 4.588 -6.066 1.00 65.31 H new ATOM 0 HG22 ILE A 35 -7.647 4.908 -4.556 1.00 65.31 H new ATOM 0 HG23 ILE A 35 -7.704 6.145 -5.833 1.00 65.31 H new ATOM 0 HD11 ILE A 35 -6.526 6.150 -9.307 1.00 12.54 H new ATOM 0 HD12 ILE A 35 -7.439 6.541 -7.830 1.00 12.54 H new ATOM 0 HD13 ILE A 35 -5.664 6.667 -7.839 1.00 12.54 H new ATOM 576 N ALA A 36 -5.225 5.657 -3.279 1.00 24.03 N ATOM 577 CA ALA A 36 -5.115 5.365 -1.855 1.00 71.41 C ATOM 578 C ALA A 36 -6.247 4.455 -1.393 1.00 71.13 C ATOM 579 O ALA A 36 -7.397 4.883 -1.283 1.00 44.43 O ATOM 580 CB ALA A 36 -5.110 6.655 -1.050 1.00 34.01 C ATOM 0 H ALA A 36 -5.491 6.618 -3.493 1.00 24.03 H new ATOM 0 HA ALA A 36 -4.173 4.843 -1.688 1.00 71.41 H new ATOM 0 HB1 ALA A 36 -5.027 6.421 0.011 1.00 34.01 H new ATOM 0 HB2 ALA A 36 -4.263 7.270 -1.353 1.00 34.01 H new ATOM 0 HB3 ALA A 36 -6.037 7.200 -1.230 1.00 34.01 H new ATOM 586 N LYS A 37 -5.917 3.196 -1.125 1.00 74.23 N ATOM 587 CA LYS A 37 -6.907 2.225 -0.675 1.00 64.43 C ATOM 588 C LYS A 37 -7.711 2.772 0.499 1.00 33.13 C ATOM 589 O LYS A 37 -8.900 2.481 0.639 1.00 11.00 O ATOM 590 CB LYS A 37 -6.221 0.917 -0.271 1.00 70.20 C ATOM 591 CG LYS A 37 -5.662 0.135 -1.447 1.00 11.55 C ATOM 592 CD LYS A 37 -5.498 -1.338 -1.111 1.00 10.03 C ATOM 593 CE LYS A 37 -6.846 -2.022 -0.936 1.00 42.53 C ATOM 594 NZ LYS A 37 -7.186 -2.883 -2.104 1.00 65.34 N ATOM 0 H LYS A 37 -4.971 2.824 -1.212 1.00 74.23 H new ATOM 0 HA LYS A 37 -7.590 2.031 -1.502 1.00 64.43 H new ATOM 0 HB2 LYS A 37 -5.411 1.141 0.424 1.00 70.20 H new ATOM 0 HB3 LYS A 37 -6.936 0.292 0.264 1.00 70.20 H new ATOM 0 HG2 LYS A 37 -6.326 0.242 -2.305 1.00 11.55 H new ATOM 0 HG3 LYS A 37 -4.698 0.552 -1.737 1.00 11.55 H new ATOM 0 HD2 LYS A 37 -4.937 -1.833 -1.904 1.00 10.03 H new ATOM 0 HD3 LYS A 37 -4.915 -1.441 -0.196 1.00 10.03 H new ATOM 0 HE2 LYS A 37 -6.831 -2.628 -0.030 1.00 42.53 H new ATOM 0 HE3 LYS A 37 -7.622 -1.268 -0.802 1.00 42.53 H new ATOM 0 HZ1 LYS A 37 -8.111 -3.331 -1.947 1.00 65.34 H new ATOM 0 HZ2 LYS A 37 -7.225 -2.301 -2.965 1.00 65.34 H new ATOM 0 HZ3 LYS A 37 -6.459 -3.618 -2.216 1.00 65.34 H new ATOM 608 N TRP A 38 -7.058 3.566 1.339 1.00 70.42 N ATOM 609 CA TRP A 38 -7.714 4.156 2.501 1.00 54.31 C ATOM 610 C TRP A 38 -7.068 5.485 2.875 1.00 60.11 C ATOM 611 O TRP A 38 -6.253 6.022 2.125 1.00 61.13 O ATOM 612 CB TRP A 38 -7.656 3.194 3.689 1.00 41.12 C ATOM 613 CG TRP A 38 -7.045 1.867 3.349 1.00 5.33 C ATOM 614 CD1 TRP A 38 -5.714 1.559 3.326 1.00 53.43 C ATOM 615 CD2 TRP A 38 -7.742 0.672 2.982 1.00 51.41 C ATOM 616 NE1 TRP A 38 -5.543 0.244 2.967 1.00 73.13 N ATOM 617 CE2 TRP A 38 -6.771 -0.323 2.751 1.00 12.04 C ATOM 618 CE3 TRP A 38 -9.092 0.344 2.828 1.00 34.25 C ATOM 619 CZ2 TRP A 38 -7.110 -1.619 2.374 1.00 13.35 C ATOM 620 CZ3 TRP A 38 -9.426 -0.943 2.454 1.00 30.41 C ATOM 621 CH2 TRP A 38 -8.439 -1.912 2.231 1.00 14.31 C ATOM 0 H TRP A 38 -6.074 3.817 1.238 1.00 70.42 H new ATOM 0 HA TRP A 38 -8.757 4.341 2.243 1.00 54.31 H new ATOM 0 HB2 TRP A 38 -7.082 3.655 4.493 1.00 41.12 H new ATOM 0 HB3 TRP A 38 -8.665 3.035 4.068 1.00 41.12 H new ATOM 0 HD1 TRP A 38 -4.914 2.248 3.556 1.00 53.43 H new ATOM 0 HE1 TRP A 38 -4.646 -0.233 2.876 1.00 73.13 H new ATOM 0 HE3 TRP A 38 -9.860 1.084 2.998 1.00 34.25 H new ATOM 0 HZ2 TRP A 38 -6.351 -2.367 2.200 1.00 13.35 H new ATOM 0 HZ3 TRP A 38 -10.466 -1.207 2.331 1.00 30.41 H new ATOM 0 HH2 TRP A 38 -8.733 -2.910 1.941 1.00 14.31 H new ATOM 632 N ASP A 39 -7.437 6.011 4.038 1.00 44.04 N ATOM 633 CA ASP A 39 -6.891 7.277 4.512 1.00 23.13 C ATOM 634 C ASP A 39 -5.851 7.046 5.605 1.00 13.40 C ATOM 635 O ASP A 39 -6.171 6.549 6.685 1.00 11.21 O ATOM 636 CB ASP A 39 -8.012 8.174 5.039 1.00 10.14 C ATOM 637 CG ASP A 39 -9.373 7.510 4.958 1.00 44.44 C ATOM 638 OD1 ASP A 39 -10.226 7.997 4.186 1.00 65.44 O ATOM 639 OD2 ASP A 39 -9.582 6.502 5.665 1.00 23.12 O ATOM 0 H ASP A 39 -8.112 5.580 4.670 1.00 44.04 H new ATOM 0 HA ASP A 39 -6.404 7.772 3.672 1.00 23.13 H new ATOM 0 HB2 ASP A 39 -7.803 8.441 6.075 1.00 10.14 H new ATOM 0 HB3 ASP A 39 -8.029 9.102 4.468 1.00 10.14 H new ATOM 645 N TYR A 40 -4.607 7.409 5.315 1.00 64.12 N ATOM 646 CA TYR A 40 -3.519 7.239 6.271 1.00 25.12 C ATOM 647 C TYR A 40 -2.849 8.575 6.579 1.00 32.52 C ATOM 648 O TYR A 40 -2.540 9.351 5.675 1.00 44.04 O ATOM 649 CB TYR A 40 -2.486 6.250 5.729 1.00 65.32 C ATOM 650 CG TYR A 40 -1.739 5.501 6.809 1.00 24.45 C ATOM 651 CD1 TYR A 40 -2.422 4.845 7.826 1.00 62.35 C ATOM 652 CD2 TYR A 40 -0.351 5.448 6.812 1.00 23.01 C ATOM 653 CE1 TYR A 40 -1.745 4.158 8.815 1.00 45.30 C ATOM 654 CE2 TYR A 40 0.335 4.764 7.798 1.00 44.14 C ATOM 655 CZ TYR A 40 -0.366 4.121 8.797 1.00 3.11 C ATOM 656 OH TYR A 40 0.314 3.438 9.779 1.00 23.51 O ATOM 0 H TYR A 40 -4.327 7.823 4.426 1.00 64.12 H new ATOM 0 HA TYR A 40 -3.940 6.844 7.195 1.00 25.12 H new ATOM 0 HB2 TYR A 40 -2.988 5.531 5.082 1.00 65.32 H new ATOM 0 HB3 TYR A 40 -1.769 6.789 5.110 1.00 65.32 H new ATOM 0 HD1 TYR A 40 -3.502 4.873 7.844 1.00 62.35 H new ATOM 0 HD2 TYR A 40 0.201 5.949 6.031 1.00 23.01 H new ATOM 0 HE1 TYR A 40 -2.292 3.653 9.597 1.00 45.30 H new ATOM 0 HE2 TYR A 40 1.414 4.733 7.786 1.00 44.14 H new ATOM 0 HH TYR A 40 -0.234 2.690 10.096 1.00 23.51 H new ATOM 666 N THR A 41 -2.630 8.836 7.865 1.00 60.33 N ATOM 667 CA THR A 41 -1.998 10.077 8.295 1.00 53.34 C ATOM 668 C THR A 41 -0.480 9.958 8.272 1.00 64.34 C ATOM 669 O THR A 41 0.081 8.963 8.731 1.00 44.31 O ATOM 670 CB THR A 41 -2.450 10.476 9.712 1.00 51.30 C ATOM 671 OG1 THR A 41 -3.829 10.138 9.899 1.00 0.21 O ATOM 672 CG2 THR A 41 -2.250 11.966 9.944 1.00 14.14 C ATOM 0 H THR A 41 -2.881 8.205 8.626 1.00 60.33 H new ATOM 0 HA THR A 41 -2.309 10.850 7.592 1.00 53.34 H new ATOM 0 HB THR A 41 -1.842 9.928 10.432 1.00 51.30 H new ATOM 0 HG1 THR A 41 -4.109 10.393 10.803 1.00 0.21 H new ATOM 0 HG21 THR A 41 -2.576 12.224 10.951 1.00 14.14 H new ATOM 0 HG22 THR A 41 -1.195 12.214 9.830 1.00 14.14 H new ATOM 0 HG23 THR A 41 -2.836 12.529 9.217 1.00 14.14 H new ATOM 680 N ALA A 42 0.183 10.977 7.736 1.00 43.51 N ATOM 681 CA ALA A 42 1.638 10.986 7.656 1.00 0.12 C ATOM 682 C ALA A 42 2.264 10.787 9.033 1.00 73.11 C ATOM 683 O ALA A 42 1.640 11.074 10.055 1.00 63.23 O ATOM 684 CB ALA A 42 2.125 12.288 7.036 1.00 21.33 C ATOM 0 H ALA A 42 -0.265 11.808 7.350 1.00 43.51 H new ATOM 0 HA ALA A 42 1.948 10.156 7.021 1.00 0.12 H new ATOM 0 HB1 ALA A 42 3.214 12.281 6.983 1.00 21.33 H new ATOM 0 HB2 ALA A 42 1.713 12.389 6.032 1.00 21.33 H new ATOM 0 HB3 ALA A 42 1.797 13.128 7.649 1.00 21.33 H new ATOM 690 N GLN A 43 3.498 10.296 9.050 1.00 70.23 N ATOM 691 CA GLN A 43 4.208 10.057 10.302 1.00 12.32 C ATOM 692 C GLN A 43 5.441 10.947 10.408 1.00 52.11 C ATOM 693 O GLN A 43 5.889 11.274 11.506 1.00 13.20 O ATOM 694 CB GLN A 43 4.615 8.586 10.410 1.00 14.43 C ATOM 695 CG GLN A 43 5.176 8.014 9.119 1.00 55.35 C ATOM 696 CD GLN A 43 4.091 7.567 8.158 1.00 1.30 C ATOM 697 OE1 GLN A 43 3.962 8.104 7.057 1.00 0.11 O ATOM 698 NE2 GLN A 43 3.303 6.581 8.570 1.00 53.33 N ATOM 0 H GLN A 43 4.028 10.056 8.212 1.00 70.23 H new ATOM 0 HA GLN A 43 3.535 10.302 11.124 1.00 12.32 H new ATOM 0 HB2 GLN A 43 5.360 8.481 11.198 1.00 14.43 H new ATOM 0 HB3 GLN A 43 3.747 7.999 10.711 1.00 14.43 H new ATOM 0 HG2 GLN A 43 5.799 8.765 8.634 1.00 55.35 H new ATOM 0 HG3 GLN A 43 5.821 7.167 9.352 1.00 55.35 H new ATOM 0 HE21 GLN A 43 3.446 6.165 9.490 1.00 53.33 H new ATOM 0 HE22 GLN A 43 2.555 6.240 7.966 1.00 53.33 H new ATOM 707 N GLN A 44 5.985 11.334 9.258 1.00 1.35 N ATOM 708 CA GLN A 44 7.168 12.187 9.223 1.00 73.41 C ATOM 709 C GLN A 44 7.078 13.196 8.084 1.00 55.13 C ATOM 710 O GLN A 44 6.316 13.008 7.133 1.00 61.25 O ATOM 711 CB GLN A 44 8.430 11.336 9.068 1.00 14.15 C ATOM 712 CG GLN A 44 8.616 10.316 10.180 1.00 51.35 C ATOM 713 CD GLN A 44 9.987 9.669 10.154 1.00 52.22 C ATOM 714 OE1 GLN A 44 11.004 10.348 10.008 1.00 61.44 O ATOM 715 NE2 GLN A 44 10.021 8.349 10.295 1.00 31.34 N ATOM 0 H GLN A 44 5.626 11.071 8.340 1.00 1.35 H new ATOM 0 HA GLN A 44 7.219 12.734 10.164 1.00 73.41 H new ATOM 0 HB2 GLN A 44 8.392 10.815 8.111 1.00 14.15 H new ATOM 0 HB3 GLN A 44 9.300 11.992 9.039 1.00 14.15 H new ATOM 0 HG2 GLN A 44 8.466 10.803 11.144 1.00 51.35 H new ATOM 0 HG3 GLN A 44 7.852 9.544 10.091 1.00 51.35 H new ATOM 0 HE21 GLN A 44 9.153 7.826 10.413 1.00 31.34 H new ATOM 0 HE22 GLN A 44 10.915 7.858 10.285 1.00 31.34 H new ATOM 724 N ASP A 45 7.858 14.266 8.184 1.00 34.43 N ATOM 725 CA ASP A 45 7.867 15.306 7.161 1.00 64.35 C ATOM 726 C ASP A 45 8.153 14.711 5.784 1.00 74.41 C ATOM 727 O ASP A 45 7.739 15.260 4.764 1.00 3.31 O ATOM 728 CB ASP A 45 8.911 16.372 7.496 1.00 54.04 C ATOM 729 CG ASP A 45 8.488 17.249 8.659 1.00 4.11 C ATOM 730 OD1 ASP A 45 7.331 17.718 8.660 1.00 4.34 O ATOM 731 OD2 ASP A 45 9.317 17.465 9.568 1.00 61.44 O ATOM 0 H ASP A 45 8.493 14.437 8.964 1.00 34.43 H new ATOM 0 HA ASP A 45 6.880 15.769 7.140 1.00 64.35 H new ATOM 0 HB2 ASP A 45 9.858 15.887 7.735 1.00 54.04 H new ATOM 0 HB3 ASP A 45 9.085 16.995 6.619 1.00 54.04 H new ATOM 737 N GLN A 46 8.861 13.587 5.767 1.00 52.42 N ATOM 738 CA GLN A 46 9.202 12.920 4.516 1.00 44.22 C ATOM 739 C GLN A 46 7.994 12.187 3.942 1.00 44.05 C ATOM 740 O GLN A 46 7.858 12.053 2.727 1.00 60.32 O ATOM 741 CB GLN A 46 10.353 11.936 4.736 1.00 30.41 C ATOM 742 CG GLN A 46 11.724 12.535 4.470 1.00 63.34 C ATOM 743 CD GLN A 46 11.964 13.814 5.247 1.00 33.31 C ATOM 744 OE1 GLN A 46 11.807 14.915 4.717 1.00 45.22 O ATOM 745 NE2 GLN A 46 12.343 13.677 6.512 1.00 44.11 N ATOM 0 H GLN A 46 9.209 13.119 6.604 1.00 52.42 H new ATOM 0 HA GLN A 46 9.515 13.681 3.801 1.00 44.22 H new ATOM 0 HB2 GLN A 46 10.318 11.572 5.763 1.00 30.41 H new ATOM 0 HB3 GLN A 46 10.211 11.072 4.087 1.00 30.41 H new ATOM 0 HG2 GLN A 46 12.491 11.806 4.732 1.00 63.34 H new ATOM 0 HG3 GLN A 46 11.827 12.738 3.404 1.00 63.34 H new ATOM 0 HE21 GLN A 46 12.461 12.746 6.911 1.00 44.11 H new ATOM 0 HE22 GLN A 46 12.516 14.503 7.085 1.00 44.11 H new ATOM 754 N GLU A 47 7.120 11.715 4.825 1.00 30.21 N ATOM 755 CA GLU A 47 5.924 10.995 4.405 1.00 72.14 C ATOM 756 C GLU A 47 4.799 11.965 4.054 1.00 5.24 C ATOM 757 O GLU A 47 4.893 13.165 4.320 1.00 61.50 O ATOM 758 CB GLU A 47 5.462 10.040 5.507 1.00 74.43 C ATOM 759 CG GLU A 47 6.601 9.288 6.178 1.00 14.32 C ATOM 760 CD GLU A 47 7.667 8.848 5.195 1.00 63.01 C ATOM 761 OE1 GLU A 47 7.420 7.881 4.444 1.00 32.22 O ATOM 762 OE2 GLU A 47 8.750 9.470 5.175 1.00 51.54 O ATOM 0 H GLU A 47 7.218 11.818 5.835 1.00 30.21 H new ATOM 0 HA GLU A 47 6.174 10.418 3.515 1.00 72.14 H new ATOM 0 HB2 GLU A 47 4.917 10.606 6.262 1.00 74.43 H new ATOM 0 HB3 GLU A 47 4.763 9.320 5.082 1.00 74.43 H new ATOM 0 HG2 GLU A 47 7.054 9.924 6.938 1.00 14.32 H new ATOM 0 HG3 GLU A 47 6.202 8.413 6.691 1.00 14.32 H new ATOM 769 N LEU A 48 3.737 11.439 3.454 1.00 34.25 N ATOM 770 CA LEU A 48 2.594 12.258 3.067 1.00 64.24 C ATOM 771 C LEU A 48 1.288 11.630 3.542 1.00 52.12 C ATOM 772 O LEU A 48 1.208 10.418 3.745 1.00 11.25 O ATOM 773 CB LEU A 48 2.563 12.439 1.548 1.00 54.52 C ATOM 774 CG LEU A 48 2.564 13.882 1.043 1.00 72.32 C ATOM 775 CD1 LEU A 48 2.741 13.919 -0.467 1.00 32.32 C ATOM 776 CD2 LEU A 48 1.278 14.588 1.448 1.00 0.00 C ATOM 0 H LEU A 48 3.644 10.449 3.225 1.00 34.25 H new ATOM 0 HA LEU A 48 2.700 13.234 3.542 1.00 64.24 H new ATOM 0 HB2 LEU A 48 3.426 11.926 1.124 1.00 54.52 H new ATOM 0 HB3 LEU A 48 1.674 11.941 1.161 1.00 54.52 H new ATOM 0 HG LEU A 48 3.403 14.407 1.499 1.00 72.32 H new ATOM 0 HD11 LEU A 48 2.739 14.954 -0.808 1.00 32.32 H new ATOM 0 HD12 LEU A 48 3.688 13.451 -0.734 1.00 32.32 H new ATOM 0 HD13 LEU A 48 1.922 13.379 -0.943 1.00 32.32 H new ATOM 0 HD21 LEU A 48 1.295 15.614 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.424 14.063 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.192 14.593 2.535 1.00 0.00 H new ATOM 788 N ASP A 49 0.266 12.461 3.713 1.00 54.13 N ATOM 789 CA ASP A 49 -1.039 11.987 4.161 1.00 60.14 C ATOM 790 C ASP A 49 -1.955 11.713 2.973 1.00 4.34 C ATOM 791 O ASP A 49 -2.221 12.605 2.164 1.00 34.51 O ATOM 792 CB ASP A 49 -1.685 13.011 5.094 1.00 32.03 C ATOM 793 CG ASP A 49 -0.660 13.815 5.870 1.00 2.14 C ATOM 794 OD1 ASP A 49 -0.494 13.556 7.080 1.00 21.41 O ATOM 795 OD2 ASP A 49 -0.022 14.704 5.267 1.00 42.21 O ATOM 0 H ASP A 49 0.316 13.466 3.548 1.00 54.13 H new ATOM 0 HA ASP A 49 -0.892 11.054 4.705 1.00 60.14 H new ATOM 0 HB2 ASP A 49 -2.307 13.689 4.510 1.00 32.03 H new ATOM 0 HB3 ASP A 49 -2.344 12.496 5.793 1.00 32.03 H new ATOM 801 N ILE A 50 -2.433 10.478 2.871 1.00 11.11 N ATOM 802 CA ILE A 50 -3.318 10.090 1.781 1.00 74.51 C ATOM 803 C ILE A 50 -4.748 9.896 2.278 1.00 41.44 C ATOM 804 O ILE A 50 -4.973 9.534 3.433 1.00 60.14 O ATOM 805 CB ILE A 50 -2.841 8.791 1.105 1.00 33.23 C ATOM 806 CG1 ILE A 50 -2.522 7.728 2.158 1.00 65.11 C ATOM 807 CG2 ILE A 50 -1.626 9.063 0.233 1.00 1.20 C ATOM 808 CD1 ILE A 50 -2.157 6.384 1.569 1.00 1.20 C ATOM 0 H ILE A 50 -2.222 9.729 3.530 1.00 11.11 H new ATOM 0 HA ILE A 50 -3.295 10.899 1.051 1.00 74.51 H new ATOM 0 HB ILE A 50 -3.643 8.415 0.469 1.00 33.23 H new ATOM 0 HG12 ILE A 50 -1.698 8.079 2.779 1.00 65.11 H new ATOM 0 HG13 ILE A 50 -3.385 7.606 2.813 1.00 65.11 H new ATOM 0 HG21 ILE A 50 -1.301 8.135 -0.238 1.00 1.20 H new ATOM 0 HG22 ILE A 50 -1.886 9.789 -0.537 1.00 1.20 H new ATOM 0 HG23 ILE A 50 -0.818 9.460 0.848 1.00 1.20 H new ATOM 0 HD11 ILE A 50 -1.944 5.680 2.373 1.00 1.20 H new ATOM 0 HD12 ILE A 50 -2.989 6.011 0.971 1.00 1.20 H new ATOM 0 HD13 ILE A 50 -1.275 6.491 0.937 1.00 1.20 H new ATOM 820 N LYS A 51 -5.712 10.138 1.396 1.00 1.51 N ATOM 821 CA LYS A 51 -7.121 9.988 1.742 1.00 2.43 C ATOM 822 C LYS A 51 -7.760 8.860 0.938 1.00 33.53 C ATOM 823 O LYS A 51 -7.202 8.399 -0.057 1.00 15.11 O ATOM 824 CB LYS A 51 -7.872 11.298 1.488 1.00 63.54 C ATOM 825 CG LYS A 51 -8.580 11.840 2.718 1.00 4.10 C ATOM 826 CD LYS A 51 -9.884 12.530 2.351 1.00 64.42 C ATOM 827 CE LYS A 51 -10.580 13.093 3.580 1.00 32.31 C ATOM 828 NZ LYS A 51 -11.170 12.018 4.425 1.00 12.10 N ATOM 0 H LYS A 51 -5.543 10.439 0.436 1.00 1.51 H new ATOM 0 HA LYS A 51 -7.186 9.739 2.801 1.00 2.43 H new ATOM 0 HB2 LYS A 51 -7.168 12.047 1.125 1.00 63.54 H new ATOM 0 HB3 LYS A 51 -8.605 11.140 0.697 1.00 63.54 H new ATOM 0 HG2 LYS A 51 -8.782 11.024 3.412 1.00 4.10 H new ATOM 0 HG3 LYS A 51 -7.927 12.544 3.234 1.00 4.10 H new ATOM 0 HD2 LYS A 51 -9.685 13.335 1.643 1.00 64.42 H new ATOM 0 HD3 LYS A 51 -10.544 11.821 1.850 1.00 64.42 H new ATOM 0 HE2 LYS A 51 -9.866 13.668 4.170 1.00 32.31 H new ATOM 0 HE3 LYS A 51 -11.365 13.782 3.269 1.00 32.31 H new ATOM 0 HZ1 LYS A 51 -11.664 12.445 5.234 1.00 12.10 H new ATOM 0 HZ2 LYS A 51 -11.845 11.464 3.860 1.00 12.10 H new ATOM 0 HZ3 LYS A 51 -10.413 11.394 4.771 1.00 12.10 H new ATOM 842 N LYS A 52 -8.936 8.420 1.377 1.00 21.13 N ATOM 843 CA LYS A 52 -9.654 7.348 0.698 1.00 41.02 C ATOM 844 C LYS A 52 -10.069 7.776 -0.705 1.00 33.43 C ATOM 845 O LYS A 52 -10.561 8.885 -0.906 1.00 70.22 O ATOM 846 CB LYS A 52 -10.888 6.943 1.506 1.00 64.31 C ATOM 847 CG LYS A 52 -11.836 8.095 1.789 1.00 40.34 C ATOM 848 CD LYS A 52 -12.929 7.692 2.764 1.00 1.22 C ATOM 849 CE LYS A 52 -13.983 6.826 2.093 1.00 72.12 C ATOM 850 NZ LYS A 52 -15.364 7.275 2.425 1.00 41.52 N ATOM 0 H LYS A 52 -9.411 8.790 2.200 1.00 21.13 H new ATOM 0 HA LYS A 52 -8.985 6.491 0.614 1.00 41.02 H new ATOM 0 HB2 LYS A 52 -11.427 6.165 0.965 1.00 64.31 H new ATOM 0 HB3 LYS A 52 -10.566 6.508 2.452 1.00 64.31 H new ATOM 0 HG2 LYS A 52 -11.276 8.936 2.197 1.00 40.34 H new ATOM 0 HG3 LYS A 52 -12.286 8.434 0.856 1.00 40.34 H new ATOM 0 HD2 LYS A 52 -12.489 7.149 3.601 1.00 1.22 H new ATOM 0 HD3 LYS A 52 -13.399 8.586 3.175 1.00 1.22 H new ATOM 0 HE2 LYS A 52 -13.842 6.854 1.013 1.00 72.12 H new ATOM 0 HE3 LYS A 52 -13.853 5.790 2.404 1.00 72.12 H new ATOM 0 HZ1 LYS A 52 -16.053 6.659 1.948 1.00 41.52 H new ATOM 0 HZ2 LYS A 52 -15.508 7.224 3.454 1.00 41.52 H new ATOM 0 HZ3 LYS A 52 -15.497 8.256 2.105 1.00 41.52 H new ATOM 864 N ASN A 53 -9.868 6.887 -1.673 1.00 14.32 N ATOM 865 CA ASN A 53 -10.224 7.172 -3.058 1.00 43.43 C ATOM 866 C ASN A 53 -9.400 8.336 -3.603 1.00 44.01 C ATOM 867 O ASN A 53 -9.791 8.985 -4.573 1.00 32.42 O ATOM 868 CB ASN A 53 -11.716 7.494 -3.169 1.00 41.30 C ATOM 869 CG ASN A 53 -12.191 7.545 -4.608 1.00 12.22 C ATOM 870 OD1 ASN A 53 -11.598 6.927 -5.491 1.00 13.43 O ATOM 871 ND2 ASN A 53 -13.268 8.285 -4.848 1.00 45.05 N ATOM 0 H ASN A 53 -9.461 5.964 -1.523 1.00 14.32 H new ATOM 0 HA ASN A 53 -10.006 6.285 -3.652 1.00 43.43 H new ATOM 0 HB2 ASN A 53 -12.289 6.742 -2.627 1.00 41.30 H new ATOM 0 HB3 ASN A 53 -11.915 8.452 -2.689 1.00 41.30 H new ATOM 0 HD21 ASN A 53 -13.636 8.358 -5.797 1.00 45.05 H new ATOM 0 HD22 ASN A 53 -13.727 8.780 -4.084 1.00 45.05 H new ATOM 878 N GLU A 54 -8.259 8.591 -2.971 1.00 4.53 N ATOM 879 CA GLU A 54 -7.380 9.677 -3.394 1.00 32.22 C ATOM 880 C GLU A 54 -6.392 9.197 -4.453 1.00 21.23 C ATOM 881 O GLU A 54 -5.736 8.168 -4.284 1.00 22.33 O ATOM 882 CB GLU A 54 -6.622 10.243 -2.192 1.00 11.54 C ATOM 883 CG GLU A 54 -6.002 11.606 -2.451 1.00 42.33 C ATOM 884 CD GLU A 54 -7.011 12.734 -2.363 1.00 55.14 C ATOM 885 OE1 GLU A 54 -7.758 12.784 -1.364 1.00 32.11 O ATOM 886 OE2 GLU A 54 -7.056 13.565 -3.294 1.00 54.35 O ATOM 0 H GLU A 54 -7.921 8.063 -2.166 1.00 4.53 H new ATOM 0 HA GLU A 54 -7.997 10.463 -3.829 1.00 32.22 H new ATOM 0 HB2 GLU A 54 -7.304 10.318 -1.345 1.00 11.54 H new ATOM 0 HB3 GLU A 54 -5.836 9.544 -1.907 1.00 11.54 H new ATOM 0 HG2 GLU A 54 -5.204 11.781 -1.729 1.00 42.33 H new ATOM 0 HG3 GLU A 54 -5.544 11.610 -3.440 1.00 42.33 H new ATOM 893 N ARG A 55 -6.293 9.948 -5.544 1.00 3.33 N ATOM 894 CA ARG A 55 -5.387 9.600 -6.631 1.00 64.45 C ATOM 895 C ARG A 55 -4.209 10.568 -6.690 1.00 45.24 C ATOM 896 O ARG A 55 -4.356 11.759 -6.414 1.00 14.12 O ATOM 897 CB ARG A 55 -6.132 9.607 -7.968 1.00 32.32 C ATOM 898 CG ARG A 55 -7.130 10.746 -8.102 1.00 62.03 C ATOM 899 CD ARG A 55 -7.828 10.717 -9.452 1.00 75.20 C ATOM 900 NE ARG A 55 -7.201 11.619 -10.413 1.00 53.13 N ATOM 901 CZ ARG A 55 -7.663 11.819 -11.644 1.00 12.13 C ATOM 902 NH1 ARG A 55 -8.751 11.187 -12.057 1.00 40.03 N ATOM 903 NH2 ARG A 55 -7.035 12.656 -12.460 1.00 73.41 N ATOM 0 H ARG A 55 -6.829 10.802 -5.699 1.00 3.33 H new ATOM 0 HA ARG A 55 -5.003 8.598 -6.441 1.00 64.45 H new ATOM 0 HB2 ARG A 55 -5.406 9.674 -8.779 1.00 32.32 H new ATOM 0 HB3 ARG A 55 -6.657 8.659 -8.087 1.00 32.32 H new ATOM 0 HG2 ARG A 55 -7.871 10.677 -7.306 1.00 62.03 H new ATOM 0 HG3 ARG A 55 -6.616 11.699 -7.977 1.00 62.03 H new ATOM 0 HD2 ARG A 55 -7.813 9.701 -9.846 1.00 75.20 H new ATOM 0 HD3 ARG A 55 -8.875 10.994 -9.325 1.00 75.20 H new ATOM 0 HE ARG A 55 -6.363 12.124 -10.125 1.00 53.13 H new ATOM 0 HH11 ARG A 55 -9.237 10.545 -11.431 1.00 40.03 H new ATOM 0 HH12 ARG A 55 -9.103 11.342 -13.002 1.00 40.03 H new ATOM 0 HH21 ARG A 55 -6.198 13.146 -12.143 1.00 73.41 H new ATOM 0 HH22 ARG A 55 -7.389 12.810 -13.404 1.00 73.41 H new ATOM 917 N LEU A 56 -3.040 10.048 -7.048 1.00 41.45 N ATOM 918 CA LEU A 56 -1.836 10.866 -7.142 1.00 1.33 C ATOM 919 C LEU A 56 -0.941 10.388 -8.282 1.00 25.34 C ATOM 920 O LEU A 56 -1.160 9.319 -8.849 1.00 52.12 O ATOM 921 CB LEU A 56 -1.065 10.828 -5.821 1.00 40.21 C ATOM 922 CG LEU A 56 -1.533 11.804 -4.743 1.00 34.11 C ATOM 923 CD1 LEU A 56 -2.650 11.188 -3.913 1.00 1.30 C ATOM 924 CD2 LEU A 56 -0.370 12.214 -3.852 1.00 65.13 C ATOM 0 H LEU A 56 -2.900 9.064 -7.278 1.00 41.45 H new ATOM 0 HA LEU A 56 -2.139 11.893 -7.349 1.00 1.33 H new ATOM 0 HB2 LEU A 56 -1.124 9.817 -5.418 1.00 40.21 H new ATOM 0 HB3 LEU A 56 -0.014 11.026 -6.031 1.00 40.21 H new ATOM 0 HG LEU A 56 -1.921 12.697 -5.233 1.00 34.11 H new ATOM 0 HD11 LEU A 56 -2.970 11.898 -3.150 1.00 1.30 H new ATOM 0 HD12 LEU A 56 -3.493 10.946 -4.560 1.00 1.30 H new ATOM 0 HD13 LEU A 56 -2.288 10.279 -3.433 1.00 1.30 H new ATOM 0 HD21 LEU A 56 -0.723 12.909 -3.090 1.00 65.13 H new ATOM 0 HD22 LEU A 56 0.049 11.330 -3.371 1.00 65.13 H new ATOM 0 HD23 LEU A 56 0.398 12.697 -4.456 1.00 65.13 H new ATOM 936 N TRP A 57 0.069 11.187 -8.607 1.00 45.43 N ATOM 937 CA TRP A 57 1.000 10.844 -9.678 1.00 34.22 C ATOM 938 C TRP A 57 2.106 9.929 -9.163 1.00 50.23 C ATOM 939 O TRP A 57 2.923 10.331 -8.335 1.00 63.41 O ATOM 940 CB TRP A 57 1.608 12.112 -10.279 1.00 23.52 C ATOM 941 CG TRP A 57 0.718 12.780 -11.281 1.00 22.12 C ATOM 942 CD1 TRP A 57 0.926 12.871 -12.628 1.00 32.15 C ATOM 943 CD2 TRP A 57 -0.519 13.451 -11.018 1.00 1.20 C ATOM 944 NE1 TRP A 57 -0.108 13.559 -13.217 1.00 41.55 N ATOM 945 CE2 TRP A 57 -1.007 13.925 -12.251 1.00 34.31 C ATOM 946 CE3 TRP A 57 -1.262 13.695 -9.861 1.00 10.25 C ATOM 947 CZ2 TRP A 57 -2.204 14.629 -12.357 1.00 43.23 C ATOM 948 CZ3 TRP A 57 -2.450 14.396 -9.967 1.00 63.22 C ATOM 949 CH2 TRP A 57 -2.911 14.854 -11.208 1.00 24.44 C ATOM 0 H TRP A 57 0.265 12.075 -8.146 1.00 45.43 H new ATOM 0 HA TRP A 57 0.446 10.314 -10.453 1.00 34.22 H new ATOM 0 HB2 TRP A 57 1.831 12.815 -9.476 1.00 23.52 H new ATOM 0 HB3 TRP A 57 2.556 11.861 -10.756 1.00 23.52 H new ATOM 0 HD1 TRP A 57 1.777 12.463 -13.153 1.00 32.15 H new ATOM 0 HE1 TRP A 57 -0.192 13.764 -14.213 1.00 41.55 H new ATOM 0 HE3 TRP A 57 -0.915 13.343 -8.901 1.00 10.25 H new ATOM 0 HZ2 TRP A 57 -2.561 14.985 -13.312 1.00 43.23 H new ATOM 0 HZ3 TRP A 57 -3.031 14.593 -9.079 1.00 63.22 H new ATOM 0 HH2 TRP A 57 -3.844 15.396 -11.259 1.00 24.44 H new ATOM 960 N LEU A 58 2.128 8.698 -9.662 1.00 73.52 N ATOM 961 CA LEU A 58 3.134 7.724 -9.253 1.00 1.21 C ATOM 962 C LEU A 58 4.524 8.149 -9.720 1.00 31.04 C ATOM 963 O LEU A 58 4.779 8.268 -10.919 1.00 54.03 O ATOM 964 CB LEU A 58 2.796 6.343 -9.817 1.00 74.50 C ATOM 965 CG LEU A 58 2.579 5.233 -8.788 1.00 73.20 C ATOM 966 CD1 LEU A 58 2.424 3.888 -9.479 1.00 64.33 C ATOM 967 CD2 LEU A 58 3.730 5.196 -7.794 1.00 64.40 C ATOM 0 H LEU A 58 1.461 8.351 -10.351 1.00 73.52 H new ATOM 0 HA LEU A 58 3.134 7.675 -8.164 1.00 1.21 H new ATOM 0 HB2 LEU A 58 1.894 6.431 -10.423 1.00 74.50 H new ATOM 0 HB3 LEU A 58 3.601 6.039 -10.486 1.00 74.50 H new ATOM 0 HG LEU A 58 1.660 5.444 -8.241 1.00 73.20 H new ATOM 0 HD11 LEU A 58 2.270 3.110 -8.731 1.00 64.33 H new ATOM 0 HD12 LEU A 58 1.566 3.921 -10.150 1.00 64.33 H new ATOM 0 HD13 LEU A 58 3.325 3.667 -10.052 1.00 64.33 H new ATOM 0 HD21 LEU A 58 3.559 4.400 -7.069 1.00 64.40 H new ATOM 0 HD22 LEU A 58 4.663 5.009 -8.325 1.00 64.40 H new ATOM 0 HD23 LEU A 58 3.793 6.152 -7.275 1.00 64.40 H new ATOM 979 N LEU A 59 5.418 8.376 -8.765 1.00 25.14 N ATOM 980 CA LEU A 59 6.784 8.787 -9.077 1.00 73.41 C ATOM 981 C LEU A 59 7.716 7.581 -9.129 1.00 71.35 C ATOM 982 O LEU A 59 8.147 7.162 -10.203 1.00 35.02 O ATOM 983 CB LEU A 59 7.286 9.790 -8.039 1.00 24.43 C ATOM 984 CG LEU A 59 6.461 11.068 -7.887 1.00 2.25 C ATOM 985 CD1 LEU A 59 7.155 12.044 -6.947 1.00 33.34 C ATOM 986 CD2 LEU A 59 6.220 11.713 -9.243 1.00 1.15 C ATOM 0 H LEU A 59 5.223 8.283 -7.768 1.00 25.14 H new ATOM 0 HA LEU A 59 6.779 9.262 -10.058 1.00 73.41 H new ATOM 0 HB2 LEU A 59 7.327 9.291 -7.071 1.00 24.43 H new ATOM 0 HB3 LEU A 59 8.307 10.069 -8.297 1.00 24.43 H new ATOM 0 HG LEU A 59 5.495 10.804 -7.456 1.00 2.25 H new ATOM 0 HD11 LEU A 59 6.553 12.948 -6.851 1.00 33.34 H new ATOM 0 HD12 LEU A 59 7.275 11.582 -5.967 1.00 33.34 H new ATOM 0 HD13 LEU A 59 8.135 12.302 -7.349 1.00 33.34 H new ATOM 0 HD21 LEU A 59 5.631 12.621 -9.114 1.00 1.15 H new ATOM 0 HD22 LEU A 59 7.176 11.963 -9.702 1.00 1.15 H new ATOM 0 HD23 LEU A 59 5.679 11.018 -9.886 1.00 1.15 H new ATOM 998 N ASP A 60 8.022 7.027 -7.961 1.00 73.24 N ATOM 999 CA ASP A 60 8.901 5.865 -7.873 1.00 4.23 C ATOM 1000 C ASP A 60 8.347 4.838 -6.891 1.00 50.30 C ATOM 1001 O ASP A 60 8.310 5.076 -5.684 1.00 72.41 O ATOM 1002 CB ASP A 60 10.306 6.294 -7.445 1.00 32.24 C ATOM 1003 CG ASP A 60 11.388 5.665 -8.298 1.00 22.32 C ATOM 1004 OD1 ASP A 60 11.475 6.010 -9.495 1.00 62.11 O ATOM 1005 OD2 ASP A 60 12.149 4.829 -7.768 1.00 42.35 O ATOM 0 H ASP A 60 7.675 7.363 -7.062 1.00 73.24 H new ATOM 0 HA ASP A 60 8.955 5.404 -8.859 1.00 4.23 H new ATOM 0 HB2 ASP A 60 10.385 7.379 -7.505 1.00 32.24 H new ATOM 0 HB3 ASP A 60 10.464 6.020 -6.402 1.00 32.24 H new ATOM 1011 N ASP A 61 7.917 3.697 -7.418 1.00 34.41 N ATOM 1012 CA ASP A 61 7.364 2.632 -6.587 1.00 52.40 C ATOM 1013 C ASP A 61 8.157 1.341 -6.760 1.00 51.34 C ATOM 1014 O ASP A 61 7.726 0.425 -7.462 1.00 25.42 O ATOM 1015 CB ASP A 61 5.895 2.394 -6.938 1.00 54.10 C ATOM 1016 CG ASP A 61 5.642 2.431 -8.433 1.00 65.33 C ATOM 1017 OD1 ASP A 61 5.725 3.529 -9.022 1.00 73.24 O ATOM 1018 OD2 ASP A 61 5.364 1.360 -9.013 1.00 14.12 O ATOM 0 H ASP A 61 7.940 3.485 -8.415 1.00 34.41 H new ATOM 0 HA ASP A 61 7.435 2.943 -5.545 1.00 52.40 H new ATOM 0 HB2 ASP A 61 5.583 1.427 -6.544 1.00 54.10 H new ATOM 0 HB3 ASP A 61 5.281 3.151 -6.450 1.00 54.10 H new ATOM 1024 N SER A 62 9.320 1.277 -6.119 1.00 35.52 N ATOM 1025 CA SER A 62 10.176 0.099 -6.205 1.00 1.01 C ATOM 1026 C SER A 62 10.217 -0.642 -4.873 1.00 73.33 C ATOM 1027 O SER A 62 10.017 -1.856 -4.817 1.00 14.54 O ATOM 1028 CB SER A 62 11.590 0.502 -6.621 1.00 45.05 C ATOM 1029 OG SER A 62 11.858 0.117 -7.958 1.00 42.13 O ATOM 0 H SER A 62 9.691 2.026 -5.535 1.00 35.52 H new ATOM 0 HA SER A 62 9.759 -0.569 -6.959 1.00 1.01 H new ATOM 0 HB2 SER A 62 11.709 1.581 -6.519 1.00 45.05 H new ATOM 0 HB3 SER A 62 12.315 0.037 -5.953 1.00 45.05 H new ATOM 0 HG SER A 62 12.768 0.388 -8.200 1.00 42.13 H new ATOM 1035 N LYS A 63 10.478 0.096 -3.799 1.00 33.40 N ATOM 1036 CA LYS A 63 10.544 -0.488 -2.465 1.00 40.33 C ATOM 1037 C LYS A 63 9.154 -0.584 -1.844 1.00 60.21 C ATOM 1038 O LYS A 63 8.168 -0.139 -2.430 1.00 55.03 O ATOM 1039 CB LYS A 63 11.461 0.345 -1.567 1.00 13.24 C ATOM 1040 CG LYS A 63 12.922 -0.058 -1.647 1.00 73.44 C ATOM 1041 CD LYS A 63 13.836 1.155 -1.674 1.00 2.52 C ATOM 1042 CE LYS A 63 14.342 1.440 -3.080 1.00 62.24 C ATOM 1043 NZ LYS A 63 15.700 2.053 -3.067 1.00 23.42 N ATOM 0 H LYS A 63 10.647 1.101 -3.827 1.00 33.40 H new ATOM 0 HA LYS A 63 10.952 -1.495 -2.555 1.00 40.33 H new ATOM 0 HB2 LYS A 63 11.367 1.396 -1.842 1.00 13.24 H new ATOM 0 HB3 LYS A 63 11.124 0.254 -0.534 1.00 13.24 H new ATOM 0 HG2 LYS A 63 13.174 -0.685 -0.792 1.00 73.44 H new ATOM 0 HG3 LYS A 63 13.086 -0.658 -2.542 1.00 73.44 H new ATOM 0 HD2 LYS A 63 13.299 2.025 -1.296 1.00 2.52 H new ATOM 0 HD3 LYS A 63 14.683 0.989 -1.008 1.00 2.52 H new ATOM 0 HE2 LYS A 63 14.368 0.512 -3.652 1.00 62.24 H new ATOM 0 HE3 LYS A 63 13.647 2.108 -3.588 1.00 62.24 H new ATOM 0 HZ1 LYS A 63 16.009 2.232 -4.044 1.00 23.42 H new ATOM 0 HZ2 LYS A 63 15.671 2.951 -2.543 1.00 23.42 H new ATOM 0 HZ3 LYS A 63 16.369 1.405 -2.605 1.00 23.42 H new ATOM 1057 N THR A 64 9.085 -1.165 -0.650 1.00 12.31 N ATOM 1058 CA THR A 64 7.816 -1.319 0.053 1.00 11.22 C ATOM 1059 C THR A 64 7.021 -0.018 0.042 1.00 63.33 C ATOM 1060 O THR A 64 5.800 -0.028 -0.110 1.00 23.15 O ATOM 1061 CB THR A 64 8.033 -1.764 1.511 1.00 12.22 C ATOM 1062 OG1 THR A 64 6.854 -1.503 2.282 1.00 63.24 O ATOM 1063 CG2 THR A 64 9.218 -1.039 2.128 1.00 31.11 C ATOM 0 H THR A 64 9.892 -1.537 -0.149 1.00 12.31 H new ATOM 0 HA THR A 64 7.253 -2.090 -0.474 1.00 11.22 H new ATOM 0 HB THR A 64 8.241 -2.834 1.514 1.00 12.22 H new ATOM 0 HG1 THR A 64 6.071 -1.864 1.816 1.00 63.24 H new ATOM 0 HG21 THR A 64 9.351 -1.370 3.158 1.00 31.11 H new ATOM 0 HG22 THR A 64 10.119 -1.262 1.556 1.00 31.11 H new ATOM 0 HG23 THR A 64 9.035 0.035 2.113 1.00 31.11 H new ATOM 1071 N TRP A 65 7.721 1.099 0.203 1.00 62.13 N ATOM 1072 CA TRP A 65 7.079 2.408 0.213 1.00 1.50 C ATOM 1073 C TRP A 65 7.148 3.057 -1.166 1.00 31.20 C ATOM 1074 O TRP A 65 8.170 2.981 -1.848 1.00 61.32 O ATOM 1075 CB TRP A 65 7.740 3.316 1.250 1.00 3.53 C ATOM 1076 CG TRP A 65 7.235 3.092 2.644 1.00 42.45 C ATOM 1077 CD1 TRP A 65 7.398 1.969 3.403 1.00 73.55 C ATOM 1078 CD2 TRP A 65 6.484 4.013 3.441 1.00 20.03 C ATOM 1079 NE1 TRP A 65 6.792 2.137 4.625 1.00 22.15 N ATOM 1080 CE2 TRP A 65 6.225 3.383 4.674 1.00 44.23 C ATOM 1081 CE3 TRP A 65 6.006 5.310 3.235 1.00 1.11 C ATOM 1082 CZ2 TRP A 65 5.510 4.006 5.693 1.00 33.15 C ATOM 1083 CZ3 TRP A 65 5.296 5.928 4.247 1.00 64.31 C ATOM 1084 CH2 TRP A 65 5.054 5.275 5.464 1.00 31.11 C ATOM 0 H TRP A 65 8.733 1.124 0.328 1.00 62.13 H new ATOM 0 HA TRP A 65 6.031 2.269 0.478 1.00 1.50 H new ATOM 0 HB2 TRP A 65 8.818 3.153 1.231 1.00 3.53 H new ATOM 0 HB3 TRP A 65 7.570 4.356 0.972 1.00 3.53 H new ATOM 0 HD1 TRP A 65 7.925 1.080 3.090 1.00 73.55 H new ATOM 0 HE1 TRP A 65 6.768 1.446 5.374 1.00 22.15 H new ATOM 0 HE3 TRP A 65 6.188 5.821 2.301 1.00 1.11 H new ATOM 0 HZ2 TRP A 65 5.322 3.505 6.631 1.00 33.15 H new ATOM 0 HZ3 TRP A 65 4.922 6.930 4.098 1.00 64.31 H new ATOM 0 HH2 TRP A 65 4.496 5.784 6.236 1.00 31.11 H new ATOM 1095 N TRP A 66 6.056 3.695 -1.570 1.00 42.20 N ATOM 1096 CA TRP A 66 5.993 4.358 -2.867 1.00 53.25 C ATOM 1097 C TRP A 66 5.991 5.873 -2.705 1.00 5.21 C ATOM 1098 O TRP A 66 5.761 6.390 -1.612 1.00 64.01 O ATOM 1099 CB TRP A 66 4.744 3.913 -3.631 1.00 60.44 C ATOM 1100 CG TRP A 66 4.696 2.435 -3.880 1.00 14.55 C ATOM 1101 CD1 TRP A 66 5.748 1.566 -3.860 1.00 42.31 C ATOM 1102 CD2 TRP A 66 3.535 1.656 -4.189 1.00 43.24 C ATOM 1103 NE1 TRP A 66 5.312 0.294 -4.138 1.00 62.21 N ATOM 1104 CE2 TRP A 66 3.958 0.322 -4.342 1.00 53.14 C ATOM 1105 CE3 TRP A 66 2.180 1.956 -4.350 1.00 74.22 C ATOM 1106 CZ2 TRP A 66 3.072 -0.709 -4.649 1.00 43.25 C ATOM 1107 CZ3 TRP A 66 1.302 0.933 -4.654 1.00 74.13 C ATOM 1108 CH2 TRP A 66 1.752 -0.386 -4.801 1.00 75.32 C ATOM 0 H TRP A 66 5.201 3.767 -1.018 1.00 42.20 H new ATOM 0 HA TRP A 66 6.879 4.073 -3.435 1.00 53.25 H new ATOM 0 HB2 TRP A 66 3.858 4.209 -3.069 1.00 60.44 H new ATOM 0 HB3 TRP A 66 4.705 4.437 -4.586 1.00 60.44 H new ATOM 0 HD1 TRP A 66 6.773 1.839 -3.656 1.00 42.31 H new ATOM 0 HE1 TRP A 66 5.901 -0.537 -4.185 1.00 62.21 H new ATOM 0 HE3 TRP A 66 1.825 2.970 -4.239 1.00 74.22 H new ATOM 0 HZ2 TRP A 66 3.416 -1.727 -4.763 1.00 43.25 H new ATOM 0 HZ3 TRP A 66 0.252 1.154 -4.780 1.00 74.13 H new ATOM 0 HH2 TRP A 66 1.041 -1.164 -5.039 1.00 75.32 H new ATOM 1119 N ARG A 67 6.249 6.583 -3.800 1.00 51.02 N ATOM 1120 CA ARG A 67 6.278 8.040 -3.777 1.00 54.25 C ATOM 1121 C ARG A 67 5.403 8.618 -4.886 1.00 53.23 C ATOM 1122 O ARG A 67 5.564 8.280 -6.058 1.00 74.12 O ATOM 1123 CB ARG A 67 7.714 8.545 -3.931 1.00 62.22 C ATOM 1124 CG ARG A 67 7.810 10.041 -4.184 1.00 30.31 C ATOM 1125 CD ARG A 67 9.056 10.634 -3.547 1.00 44.02 C ATOM 1126 NE ARG A 67 10.240 9.814 -3.794 1.00 30.15 N ATOM 1127 CZ ARG A 67 10.950 9.865 -4.915 1.00 15.23 C ATOM 1128 NH1 ARG A 67 10.596 10.693 -5.890 1.00 23.40 N ATOM 1129 NH2 ARG A 67 12.015 9.088 -5.065 1.00 34.10 N ATOM 0 H ARG A 67 6.441 6.172 -4.714 1.00 51.02 H new ATOM 0 HA ARG A 67 5.884 8.372 -2.816 1.00 54.25 H new ATOM 0 HB2 ARG A 67 8.275 8.301 -3.029 1.00 62.22 H new ATOM 0 HB3 ARG A 67 8.190 8.014 -4.755 1.00 62.22 H new ATOM 0 HG2 ARG A 67 7.824 10.230 -5.257 1.00 30.31 H new ATOM 0 HG3 ARG A 67 6.925 10.536 -3.785 1.00 30.31 H new ATOM 0 HD2 ARG A 67 9.221 11.637 -3.940 1.00 44.02 H new ATOM 0 HD3 ARG A 67 8.902 10.734 -2.473 1.00 44.02 H new ATOM 0 HE ARG A 67 10.538 9.166 -3.065 1.00 30.15 H new ATOM 0 HH11 ARG A 67 9.777 11.291 -5.779 1.00 23.40 H new ATOM 0 HH12 ARG A 67 11.142 10.731 -6.750 1.00 23.40 H new ATOM 0 HH21 ARG A 67 12.290 8.450 -4.318 1.00 34.10 H new ATOM 0 HH22 ARG A 67 12.559 9.129 -5.927 1.00 34.10 H new ATOM 1143 N VAL A 68 4.476 9.490 -4.505 1.00 14.42 N ATOM 1144 CA VAL A 68 3.575 10.116 -5.466 1.00 24.32 C ATOM 1145 C VAL A 68 3.427 11.608 -5.190 1.00 5.34 C ATOM 1146 O VAL A 68 3.941 12.120 -4.195 1.00 63.14 O ATOM 1147 CB VAL A 68 2.181 9.460 -5.438 1.00 43.42 C ATOM 1148 CG1 VAL A 68 2.280 7.982 -5.780 1.00 41.32 C ATOM 1149 CG2 VAL A 68 1.526 9.660 -4.081 1.00 31.43 C ATOM 0 H VAL A 68 4.329 9.779 -3.538 1.00 14.42 H new ATOM 0 HA VAL A 68 4.016 9.974 -6.452 1.00 24.32 H new ATOM 0 HB VAL A 68 1.556 9.941 -6.191 1.00 43.42 H new ATOM 0 HG11 VAL A 68 1.286 7.535 -5.755 1.00 41.32 H new ATOM 0 HG12 VAL A 68 2.705 7.867 -6.777 1.00 41.32 H new ATOM 0 HG13 VAL A 68 2.920 7.482 -5.053 1.00 41.32 H new ATOM 0 HG21 VAL A 68 0.542 9.190 -4.079 1.00 31.43 H new ATOM 0 HG22 VAL A 68 2.146 9.207 -3.307 1.00 31.43 H new ATOM 0 HG23 VAL A 68 1.419 10.726 -3.882 1.00 31.43 H new ATOM 1159 N ARG A 69 2.722 12.302 -6.077 1.00 42.00 N ATOM 1160 CA ARG A 69 2.508 13.737 -5.930 1.00 54.33 C ATOM 1161 C ARG A 69 1.024 14.078 -6.043 1.00 64.21 C ATOM 1162 O ARG A 69 0.308 13.514 -6.869 1.00 1.23 O ATOM 1163 CB ARG A 69 3.300 14.505 -6.990 1.00 72.04 C ATOM 1164 CG ARG A 69 3.141 16.013 -6.895 1.00 60.01 C ATOM 1165 CD ARG A 69 2.597 16.597 -8.190 1.00 25.13 C ATOM 1166 NE ARG A 69 3.652 17.192 -9.007 1.00 20.32 N ATOM 1167 CZ ARG A 69 3.487 17.539 -10.278 1.00 44.11 C ATOM 1168 NH1 ARG A 69 2.318 17.354 -10.873 1.00 50.32 N ATOM 1169 NH2 ARG A 69 4.495 18.075 -10.956 1.00 44.34 N ATOM 0 H ARG A 69 2.289 11.894 -6.905 1.00 42.00 H new ATOM 0 HA ARG A 69 2.859 14.032 -4.941 1.00 54.33 H new ATOM 0 HB2 ARG A 69 4.356 14.253 -6.896 1.00 72.04 H new ATOM 0 HB3 ARG A 69 2.981 14.176 -7.979 1.00 72.04 H new ATOM 0 HG2 ARG A 69 2.469 16.258 -6.073 1.00 60.01 H new ATOM 0 HG3 ARG A 69 4.104 16.468 -6.665 1.00 60.01 H new ATOM 0 HD2 ARG A 69 2.096 15.814 -8.759 1.00 25.13 H new ATOM 0 HD3 ARG A 69 1.847 17.353 -7.960 1.00 25.13 H new ATOM 0 HE ARG A 69 4.564 17.349 -8.578 1.00 20.32 H new ATOM 0 HH11 ARG A 69 1.541 16.944 -10.355 1.00 50.32 H new ATOM 0 HH12 ARG A 69 2.195 17.622 -11.849 1.00 50.32 H new ATOM 0 HH21 ARG A 69 5.396 18.220 -10.500 1.00 44.34 H new ATOM 0 HH22 ARG A 69 4.368 18.342 -11.932 1.00 44.34 H new ATOM 1183 N ASN A 70 0.571 15.006 -5.206 1.00 63.00 N ATOM 1184 CA ASN A 70 -0.827 15.423 -5.211 1.00 44.12 C ATOM 1185 C ASN A 70 -1.038 16.607 -6.151 1.00 71.54 C ATOM 1186 O ASN A 70 -0.109 17.050 -6.824 1.00 55.13 O ATOM 1187 CB ASN A 70 -1.274 15.795 -3.796 1.00 41.13 C ATOM 1188 CG ASN A 70 -0.180 16.488 -3.007 1.00 21.14 C ATOM 1189 OD1 ASN A 70 0.878 15.912 -2.754 1.00 32.01 O ATOM 1190 ND2 ASN A 70 -0.432 17.731 -2.612 1.00 53.20 N ATOM 0 H ASN A 70 1.151 15.483 -4.516 1.00 63.00 H new ATOM 0 HA ASN A 70 -1.429 14.587 -5.567 1.00 44.12 H new ATOM 0 HB2 ASN A 70 -2.146 16.447 -3.853 1.00 41.13 H new ATOM 0 HB3 ASN A 70 -1.584 14.894 -3.267 1.00 41.13 H new ATOM 0 HD21 ASN A 70 0.266 18.247 -2.076 1.00 53.20 H new ATOM 0 HD22 ASN A 70 -1.323 18.169 -2.844 1.00 53.20 H new ATOM 1197 N ALA A 71 -2.266 17.112 -6.188 1.00 11.52 N ATOM 1198 CA ALA A 71 -2.600 18.245 -7.043 1.00 12.50 C ATOM 1199 C ALA A 71 -1.955 19.528 -6.530 1.00 4.35 C ATOM 1200 O ALA A 71 -1.933 20.545 -7.225 1.00 33.41 O ATOM 1201 CB ALA A 71 -4.109 18.411 -7.133 1.00 1.33 C ATOM 0 H ALA A 71 -3.046 16.755 -5.636 1.00 11.52 H new ATOM 0 HA ALA A 71 -2.207 18.045 -8.040 1.00 12.50 H new ATOM 0 HB1 ALA A 71 -4.344 19.260 -7.774 1.00 1.33 H new ATOM 0 HB2 ALA A 71 -4.550 17.507 -7.552 1.00 1.33 H new ATOM 0 HB3 ALA A 71 -4.516 18.585 -6.137 1.00 1.33 H new ATOM 1207 N ALA A 72 -1.429 19.474 -5.310 1.00 52.50 N ATOM 1208 CA ALA A 72 -0.782 20.633 -4.706 1.00 63.13 C ATOM 1209 C ALA A 72 0.694 20.695 -5.084 1.00 24.25 C ATOM 1210 O ALA A 72 1.456 21.479 -4.520 1.00 20.54 O ATOM 1211 CB ALA A 72 -0.941 20.594 -3.193 1.00 24.12 C ATOM 0 H ALA A 72 -1.438 18.641 -4.721 1.00 52.50 H new ATOM 0 HA ALA A 72 -1.266 21.532 -5.089 1.00 63.13 H new ATOM 0 HB1 ALA A 72 -0.454 21.464 -2.753 1.00 24.12 H new ATOM 0 HB2 ALA A 72 -2.001 20.604 -2.938 1.00 24.12 H new ATOM 0 HB3 ALA A 72 -0.482 19.686 -2.802 1.00 24.12 H new ATOM 1217 N ASN A 73 1.091 19.865 -6.042 1.00 10.32 N ATOM 1218 CA ASN A 73 2.476 19.827 -6.494 1.00 44.34 C ATOM 1219 C ASN A 73 3.401 19.355 -5.375 1.00 45.20 C ATOM 1220 O ASN A 73 4.620 19.509 -5.458 1.00 42.14 O ATOM 1221 CB ASN A 73 2.914 21.209 -6.984 1.00 35.30 C ATOM 1222 CG ASN A 73 1.775 21.985 -7.617 1.00 43.40 C ATOM 1223 OD1 ASN A 73 1.188 22.868 -6.991 1.00 73.02 O ATOM 1224 ND2 ASN A 73 1.457 21.657 -8.864 1.00 35.21 N ATOM 0 H ASN A 73 0.473 19.210 -6.520 1.00 10.32 H new ATOM 0 HA ASN A 73 2.542 19.119 -7.320 1.00 44.34 H new ATOM 0 HB2 ASN A 73 3.316 21.778 -6.146 1.00 35.30 H new ATOM 0 HB3 ASN A 73 3.720 21.096 -7.709 1.00 35.30 H new ATOM 0 HD21 ASN A 73 0.699 22.144 -9.342 1.00 35.21 H new ATOM 0 HD22 ASN A 73 1.971 20.918 -9.344 1.00 35.21 H new ATOM 1231 N ARG A 74 2.813 18.781 -4.332 1.00 71.24 N ATOM 1232 CA ARG A 74 3.583 18.287 -3.197 1.00 22.04 C ATOM 1233 C ARG A 74 3.963 16.822 -3.393 1.00 13.04 C ATOM 1234 O ARG A 74 3.185 16.034 -3.931 1.00 10.40 O ATOM 1235 CB ARG A 74 2.784 18.449 -1.902 1.00 51.41 C ATOM 1236 CG ARG A 74 3.645 18.451 -0.650 1.00 42.20 C ATOM 1237 CD ARG A 74 4.064 19.862 -0.264 1.00 41.25 C ATOM 1238 NE ARG A 74 5.508 19.973 -0.080 1.00 63.24 N ATOM 1239 CZ ARG A 74 6.101 21.030 0.463 1.00 21.25 C ATOM 1240 NH1 ARG A 74 5.376 22.061 0.875 1.00 14.32 N ATOM 1241 NH2 ARG A 74 7.421 21.058 0.598 1.00 32.00 N ATOM 0 H ARG A 74 1.805 18.646 -4.249 1.00 71.24 H new ATOM 0 HA ARG A 74 4.498 18.875 -3.128 1.00 22.04 H new ATOM 0 HB2 ARG A 74 2.221 19.381 -1.947 1.00 51.41 H new ATOM 0 HB3 ARG A 74 2.056 17.641 -1.831 1.00 51.41 H new ATOM 0 HG2 ARG A 74 3.094 17.996 0.173 1.00 42.20 H new ATOM 0 HG3 ARG A 74 4.532 17.839 -0.816 1.00 42.20 H new ATOM 0 HD2 ARG A 74 3.742 20.560 -1.037 1.00 41.25 H new ATOM 0 HD3 ARG A 74 3.558 20.151 0.657 1.00 41.25 H new ATOM 0 HE ARG A 74 6.094 19.196 -0.385 1.00 63.24 H new ATOM 0 HH11 ARG A 74 4.361 22.043 0.775 1.00 14.32 H new ATOM 0 HH12 ARG A 74 5.833 22.872 1.292 1.00 14.32 H new ATOM 0 HH21 ARG A 74 7.983 20.266 0.284 1.00 32.00 H new ATOM 0 HH22 ARG A 74 7.874 21.871 1.015 1.00 32.00 H new ATOM 1255 N THR A 75 5.166 16.465 -2.951 1.00 51.10 N ATOM 1256 CA THR A 75 5.651 15.097 -3.079 1.00 54.00 C ATOM 1257 C THR A 75 6.016 14.513 -1.720 1.00 62.24 C ATOM 1258 O THR A 75 6.702 15.152 -0.923 1.00 2.42 O ATOM 1259 CB THR A 75 6.879 15.020 -4.007 1.00 32.41 C ATOM 1260 OG1 THR A 75 7.856 15.985 -3.604 1.00 32.31 O ATOM 1261 CG2 THR A 75 6.481 15.268 -5.454 1.00 34.42 C ATOM 0 H THR A 75 5.821 17.105 -2.502 1.00 51.10 H new ATOM 0 HA THR A 75 4.840 14.514 -3.515 1.00 54.00 H new ATOM 0 HB THR A 75 7.303 14.019 -3.931 1.00 32.41 H new ATOM 0 HG1 THR A 75 8.634 15.930 -4.197 1.00 32.31 H new ATOM 0 HG21 THR A 75 7.364 15.209 -6.090 1.00 34.42 H new ATOM 0 HG22 THR A 75 5.758 14.515 -5.767 1.00 34.42 H new ATOM 0 HG23 THR A 75 6.035 16.259 -5.544 1.00 34.42 H new ATOM 1269 N GLY A 76 5.555 13.294 -1.460 1.00 72.04 N ATOM 1270 CA GLY A 76 5.846 12.644 -0.195 1.00 12.01 C ATOM 1271 C GLY A 76 5.927 11.136 -0.323 1.00 10.12 C ATOM 1272 O GLY A 76 5.945 10.601 -1.431 1.00 34.11 O ATOM 0 H GLY A 76 4.985 12.744 -2.103 1.00 72.04 H new ATOM 0 HA2 GLY A 76 6.790 13.024 0.196 1.00 12.01 H new ATOM 0 HA3 GLY A 76 5.074 12.903 0.529 1.00 12.01 H new ATOM 1276 N TYR A 77 5.981 10.451 0.813 1.00 73.23 N ATOM 1277 CA TYR A 77 6.067 8.995 0.824 1.00 61.24 C ATOM 1278 C TYR A 77 4.811 8.379 1.434 1.00 5.15 C ATOM 1279 O TYR A 77 4.115 9.015 2.227 1.00 43.14 O ATOM 1280 CB TYR A 77 7.301 8.541 1.604 1.00 22.14 C ATOM 1281 CG TYR A 77 8.593 8.690 0.833 1.00 53.43 C ATOM 1282 CD1 TYR A 77 8.915 7.816 -0.198 1.00 2.44 C ATOM 1283 CD2 TYR A 77 9.492 9.708 1.134 1.00 74.41 C ATOM 1284 CE1 TYR A 77 10.094 7.949 -0.905 1.00 61.11 C ATOM 1285 CE2 TYR A 77 10.673 9.848 0.432 1.00 51.31 C ATOM 1286 CZ TYR A 77 10.970 8.966 -0.587 1.00 31.21 C ATOM 1287 OH TYR A 77 12.146 9.103 -1.288 1.00 53.41 O ATOM 0 H TYR A 77 5.967 10.880 1.738 1.00 73.23 H new ATOM 0 HA TYR A 77 6.153 8.655 -0.208 1.00 61.24 H new ATOM 0 HB2 TYR A 77 7.370 9.117 2.527 1.00 22.14 H new ATOM 0 HB3 TYR A 77 7.176 7.496 1.889 1.00 22.14 H new ATOM 0 HD1 TYR A 77 8.232 7.019 -0.451 1.00 2.44 H new ATOM 0 HD2 TYR A 77 9.262 10.401 1.930 1.00 74.41 H new ATOM 0 HE1 TYR A 77 10.329 7.260 -1.703 1.00 61.11 H new ATOM 0 HE2 TYR A 77 11.360 10.643 0.679 1.00 51.31 H new ATOM 0 HH TYR A 77 12.648 9.869 -0.939 1.00 53.41 H new ATOM 1297 N VAL A 78 4.527 7.136 1.060 1.00 43.33 N ATOM 1298 CA VAL A 78 3.357 6.431 1.572 1.00 12.32 C ATOM 1299 C VAL A 78 3.535 4.921 1.468 1.00 44.43 C ATOM 1300 O VAL A 78 4.167 4.408 0.544 1.00 62.11 O ATOM 1301 CB VAL A 78 2.080 6.840 0.813 1.00 42.13 C ATOM 1302 CG1 VAL A 78 1.522 8.141 1.369 1.00 52.21 C ATOM 1303 CG2 VAL A 78 2.363 6.966 -0.677 1.00 23.42 C ATOM 0 H VAL A 78 5.091 6.596 0.404 1.00 43.33 H new ATOM 0 HA VAL A 78 3.253 6.709 2.621 1.00 12.32 H new ATOM 0 HB VAL A 78 1.330 6.061 0.953 1.00 42.13 H new ATOM 0 HG11 VAL A 78 0.620 8.414 0.821 1.00 52.21 H new ATOM 0 HG12 VAL A 78 1.280 8.012 2.424 1.00 52.21 H new ATOM 0 HG13 VAL A 78 2.265 8.931 1.262 1.00 52.21 H new ATOM 0 HG21 VAL A 78 1.450 7.255 -1.198 1.00 23.42 H new ATOM 0 HG22 VAL A 78 3.129 7.724 -0.839 1.00 23.42 H new ATOM 0 HG23 VAL A 78 2.713 6.009 -1.063 1.00 23.42 H new ATOM 1313 N PRO A 79 2.964 4.190 2.437 1.00 5.32 N ATOM 1314 CA PRO A 79 3.046 2.726 2.477 1.00 11.54 C ATOM 1315 C PRO A 79 2.232 2.071 1.367 1.00 75.12 C ATOM 1316 O PRO A 79 1.040 2.340 1.216 1.00 23.00 O ATOM 1317 CB PRO A 79 2.463 2.376 3.847 1.00 0.24 C ATOM 1318 CG PRO A 79 1.562 3.516 4.178 1.00 4.13 C ATOM 1319 CD PRO A 79 2.196 4.736 3.568 1.00 43.12 C ATOM 0 HA PRO A 79 4.065 2.370 2.330 1.00 11.54 H new ATOM 0 HB2 PRO A 79 1.915 1.434 3.815 1.00 0.24 H new ATOM 0 HB3 PRO A 79 3.248 2.262 4.594 1.00 0.24 H new ATOM 0 HG2 PRO A 79 0.562 3.353 3.775 1.00 4.13 H new ATOM 0 HG3 PRO A 79 1.456 3.629 5.257 1.00 4.13 H new ATOM 0 HD2 PRO A 79 1.447 5.455 3.236 1.00 43.12 H new ATOM 0 HD3 PRO A 79 2.840 5.253 4.279 1.00 43.12 H new ATOM 1327 N SER A 80 2.881 1.208 0.592 1.00 3.34 N ATOM 1328 CA SER A 80 2.218 0.517 -0.506 1.00 42.23 C ATOM 1329 C SER A 80 1.031 -0.296 0.001 1.00 24.32 C ATOM 1330 O SER A 80 0.140 -0.659 -0.765 1.00 61.42 O ATOM 1331 CB SER A 80 3.205 -0.401 -1.231 1.00 1.25 C ATOM 1332 OG SER A 80 3.659 -1.437 -0.377 1.00 5.33 O ATOM 0 H SER A 80 3.867 0.971 0.705 1.00 3.34 H new ATOM 0 HA SER A 80 1.851 1.269 -1.205 1.00 42.23 H new ATOM 0 HB2 SER A 80 2.726 -0.833 -2.110 1.00 1.25 H new ATOM 0 HB3 SER A 80 4.055 0.182 -1.585 1.00 1.25 H new ATOM 0 HG SER A 80 4.595 -1.275 -0.135 1.00 5.33 H new ATOM 1338 N ASN A 81 1.027 -0.577 1.301 1.00 53.21 N ATOM 1339 CA ASN A 81 -0.049 -1.347 1.913 1.00 12.12 C ATOM 1340 C ASN A 81 -1.351 -0.552 1.919 1.00 34.41 C ATOM 1341 O ASN A 81 -2.437 -1.118 1.794 1.00 53.13 O ATOM 1342 CB ASN A 81 0.327 -1.742 3.343 1.00 50.44 C ATOM 1343 CG ASN A 81 1.313 -2.893 3.383 1.00 60.32 C ATOM 1344 OD1 ASN A 81 2.104 -3.081 2.458 1.00 31.54 O ATOM 1345 ND2 ASN A 81 1.271 -3.670 4.460 1.00 60.11 N ATOM 0 H ASN A 81 1.757 -0.283 1.950 1.00 53.21 H new ATOM 0 HA ASN A 81 -0.198 -2.250 1.321 1.00 12.12 H new ATOM 0 HB2 ASN A 81 0.757 -0.881 3.854 1.00 50.44 H new ATOM 0 HB3 ASN A 81 -0.574 -2.020 3.889 1.00 50.44 H new ATOM 0 HD21 ASN A 81 1.911 -4.460 4.544 1.00 60.11 H new ATOM 0 HD22 ASN A 81 0.599 -3.477 5.202 1.00 60.11 H new ATOM 1352 N TYR A 82 -1.234 0.763 2.067 1.00 71.23 N ATOM 1353 CA TYR A 82 -2.402 1.635 2.090 1.00 3.22 C ATOM 1354 C TYR A 82 -2.644 2.261 0.720 1.00 2.54 C ATOM 1355 O TYR A 82 -3.545 3.082 0.549 1.00 33.21 O ATOM 1356 CB TYR A 82 -2.221 2.735 3.140 1.00 72.30 C ATOM 1357 CG TYR A 82 -2.057 2.207 4.547 1.00 71.35 C ATOM 1358 CD1 TYR A 82 -0.887 1.566 4.938 1.00 41.42 C ATOM 1359 CD2 TYR A 82 -3.070 2.347 5.486 1.00 14.11 C ATOM 1360 CE1 TYR A 82 -0.732 1.081 6.221 1.00 24.15 C ATOM 1361 CE2 TYR A 82 -2.924 1.866 6.774 1.00 13.01 C ATOM 1362 CZ TYR A 82 -1.753 1.233 7.136 1.00 25.05 C ATOM 1363 OH TYR A 82 -1.604 0.753 8.416 1.00 44.01 O ATOM 0 H TYR A 82 -0.343 1.248 2.173 1.00 71.23 H new ATOM 0 HA TYR A 82 -3.270 1.030 2.350 1.00 3.22 H new ATOM 0 HB2 TYR A 82 -1.347 3.333 2.881 1.00 72.30 H new ATOM 0 HB3 TYR A 82 -3.083 3.401 3.109 1.00 72.30 H new ATOM 0 HD1 TYR A 82 -0.085 1.445 4.225 1.00 41.42 H new ATOM 0 HD2 TYR A 82 -3.989 2.841 5.205 1.00 14.11 H new ATOM 0 HE1 TYR A 82 0.184 0.585 6.507 1.00 24.15 H new ATOM 0 HE2 TYR A 82 -3.722 1.985 7.492 1.00 13.01 H new ATOM 0 HH TYR A 82 -1.608 -0.227 8.400 1.00 44.01 H new ATOM 1373 N VAL A 83 -1.831 1.866 -0.255 1.00 31.04 N ATOM 1374 CA VAL A 83 -1.956 2.384 -1.612 1.00 73.31 C ATOM 1375 C VAL A 83 -2.147 1.254 -2.617 1.00 65.01 C ATOM 1376 O VAL A 83 -1.612 0.159 -2.443 1.00 1.33 O ATOM 1377 CB VAL A 83 -0.719 3.210 -2.013 1.00 11.14 C ATOM 1378 CG1 VAL A 83 -0.822 3.652 -3.465 1.00 44.13 C ATOM 1379 CG2 VAL A 83 -0.558 4.410 -1.092 1.00 31.41 C ATOM 0 H VAL A 83 -1.079 1.189 -0.130 1.00 31.04 H new ATOM 0 HA VAL A 83 -2.835 3.029 -1.625 1.00 73.31 H new ATOM 0 HB VAL A 83 0.166 2.582 -1.910 1.00 11.14 H new ATOM 0 HG11 VAL A 83 0.060 4.234 -3.732 1.00 44.13 H new ATOM 0 HG12 VAL A 83 -0.886 2.775 -4.109 1.00 44.13 H new ATOM 0 HG13 VAL A 83 -1.714 4.264 -3.597 1.00 44.13 H new ATOM 0 HG21 VAL A 83 0.321 4.982 -1.390 1.00 31.41 H new ATOM 0 HG22 VAL A 83 -1.443 5.043 -1.160 1.00 31.41 H new ATOM 0 HG23 VAL A 83 -0.436 4.066 -0.065 1.00 31.41 H new ATOM 1389 N GLU A 84 -2.913 1.528 -3.668 1.00 71.33 N ATOM 1390 CA GLU A 84 -3.175 0.533 -4.702 1.00 63.43 C ATOM 1391 C GLU A 84 -3.652 1.198 -5.989 1.00 35.20 C ATOM 1392 O GLU A 84 -4.665 1.899 -5.998 1.00 71.13 O ATOM 1393 CB GLU A 84 -4.218 -0.475 -4.217 1.00 63.14 C ATOM 1394 CG GLU A 84 -4.537 -1.558 -5.235 1.00 62.13 C ATOM 1395 CD GLU A 84 -5.945 -1.444 -5.786 1.00 15.30 C ATOM 1396 OE1 GLU A 84 -6.474 -0.314 -5.832 1.00 33.13 O ATOM 1397 OE2 GLU A 84 -6.517 -2.485 -6.171 1.00 42.22 O ATOM 0 H GLU A 84 -3.363 2.430 -3.826 1.00 71.33 H new ATOM 0 HA GLU A 84 -2.243 0.008 -4.910 1.00 63.43 H new ATOM 0 HB2 GLU A 84 -3.859 -0.944 -3.301 1.00 63.14 H new ATOM 0 HB3 GLU A 84 -5.135 0.057 -3.965 1.00 63.14 H new ATOM 0 HG2 GLU A 84 -3.823 -1.500 -6.057 1.00 62.13 H new ATOM 0 HG3 GLU A 84 -4.410 -2.536 -4.771 1.00 62.13 H new ATOM 1404 N ARG A 85 -2.918 0.973 -7.074 1.00 25.35 N ATOM 1405 CA ARG A 85 -3.266 1.551 -8.365 1.00 2.34 C ATOM 1406 C ARG A 85 -4.606 1.013 -8.859 1.00 4.42 C ATOM 1407 O ARG A 85 -5.078 -0.027 -8.397 1.00 45.32 O ATOM 1408 CB ARG A 85 -2.174 1.252 -9.394 1.00 4.02 C ATOM 1409 CG ARG A 85 -1.877 -0.230 -9.553 1.00 35.13 C ATOM 1410 CD ARG A 85 -2.818 -0.881 -10.556 1.00 22.44 C ATOM 1411 NE ARG A 85 -3.605 -1.953 -9.952 1.00 2.35 N ATOM 1412 CZ ARG A 85 -4.253 -2.874 -10.656 1.00 13.21 C ATOM 1413 NH1 ARG A 85 -4.208 -2.856 -11.981 1.00 4.05 N ATOM 1414 NH2 ARG A 85 -4.947 -3.819 -10.035 1.00 14.05 N ATOM 0 H ARG A 85 -2.078 0.394 -7.084 1.00 25.35 H new ATOM 0 HA ARG A 85 -3.351 2.630 -8.239 1.00 2.34 H new ATOM 0 HB2 ARG A 85 -2.475 1.659 -10.359 1.00 4.02 H new ATOM 0 HB3 ARG A 85 -1.260 1.768 -9.101 1.00 4.02 H new ATOM 0 HG2 ARG A 85 -0.846 -0.363 -9.880 1.00 35.13 H new ATOM 0 HG3 ARG A 85 -1.972 -0.727 -8.588 1.00 35.13 H new ATOM 0 HD2 ARG A 85 -3.489 -0.126 -10.967 1.00 22.44 H new ATOM 0 HD3 ARG A 85 -2.240 -1.281 -11.389 1.00 22.44 H new ATOM 0 HE ARG A 85 -3.660 -1.997 -8.934 1.00 2.35 H new ATOM 0 HH11 ARG A 85 -3.674 -2.133 -12.463 1.00 4.05 H new ATOM 0 HH12 ARG A 85 -4.707 -3.565 -12.518 1.00 4.05 H new ATOM 0 HH21 ARG A 85 -4.983 -3.839 -9.016 1.00 14.05 H new ATOM 0 HH22 ARG A 85 -5.444 -4.526 -10.577 1.00 14.05 H new ATOM 1428 N LYS A 86 -5.213 1.727 -9.802 1.00 63.54 N ATOM 1429 CA LYS A 86 -6.497 1.320 -10.360 1.00 30.11 C ATOM 1430 C LYS A 86 -6.903 2.235 -11.511 1.00 32.15 C ATOM 1431 O LYS A 86 -6.974 3.455 -11.353 1.00 72.13 O ATOM 1432 CB LYS A 86 -7.577 1.338 -9.275 1.00 12.21 C ATOM 1433 CG LYS A 86 -8.359 0.040 -9.174 1.00 45.22 C ATOM 1434 CD LYS A 86 -9.040 -0.304 -10.487 1.00 70.52 C ATOM 1435 CE LYS A 86 -10.495 -0.695 -10.274 1.00 14.30 C ATOM 1436 NZ LYS A 86 -11.067 -1.375 -11.470 1.00 23.22 N ATOM 0 H LYS A 86 -4.836 2.590 -10.195 1.00 63.54 H new ATOM 0 HA LYS A 86 -6.393 0.305 -10.744 1.00 30.11 H new ATOM 0 HB2 LYS A 86 -7.110 1.547 -8.313 1.00 12.21 H new ATOM 0 HB3 LYS A 86 -8.270 2.155 -9.477 1.00 12.21 H new ATOM 0 HG2 LYS A 86 -7.687 -0.769 -8.889 1.00 45.22 H new ATOM 0 HG3 LYS A 86 -9.108 0.125 -8.386 1.00 45.22 H new ATOM 0 HD2 LYS A 86 -8.987 0.551 -11.161 1.00 70.52 H new ATOM 0 HD3 LYS A 86 -8.509 -1.124 -10.970 1.00 70.52 H new ATOM 0 HE2 LYS A 86 -10.571 -1.355 -9.410 1.00 14.30 H new ATOM 0 HE3 LYS A 86 -11.081 0.196 -10.047 1.00 14.30 H new ATOM 0 HZ1 LYS A 86 -12.059 -1.626 -11.285 1.00 23.22 H new ATOM 0 HZ2 LYS A 86 -11.018 -0.736 -12.289 1.00 23.22 H new ATOM 0 HZ3 LYS A 86 -10.524 -2.239 -11.671 1.00 23.22 H new