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 180:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot -46:sc= 1.25 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 44 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 11 ASN : amide:sc= -3.25! C(o=-3.3!,f=-2.9!) USER MOD Single : A 37 LYS NZ :NH3+ -127:sc= 0.25 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 21:sc= 0.403 USER MOD Single : A 43 GLN : amide:sc= -0.82 K(o=-0.82,f=-1.6!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.16) 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= -0.187 K(o=-0.19,f=-1.8!) 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 78:sc= -2 USER MOD Single : A 70 ASN : amide:sc= -5.65! C(o=-5.7!,f=-9.6!) USER MOD Single : A 73 ASN : amide:sc= -0.655 X(o=-0.66,f=-0.74) 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 -92:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -0.771 K(o=-0.77,f=-1.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.775 -3.370 12.633 1.00 14.21 N ATOM 74 CA ARG A 5 -8.014 -2.485 11.760 1.00 32.52 C ATOM 75 C ARG A 5 -6.887 -3.244 11.067 1.00 2.51 C ATOM 76 O ARG A 5 -6.470 -4.318 11.500 1.00 72.14 O ATOM 77 CB ARG A 5 -7.440 -1.315 12.560 1.00 62.53 C ATOM 78 CG ARG A 5 -8.371 -0.117 12.643 1.00 23.25 C ATOM 79 CD ARG A 5 -7.793 1.090 11.922 1.00 44.32 C ATOM 80 NE ARG A 5 -8.398 2.340 12.372 1.00 3.51 N ATOM 81 CZ ARG A 5 -8.346 3.473 11.682 1.00 0.43 C ATOM 82 NH1 ARG A 5 -7.720 3.513 10.514 1.00 74.04 N ATOM 83 NH2 ARG A 5 -8.921 4.570 12.159 1.00 14.20 N ATOM 0 HA ARG A 5 -8.690 -2.097 10.998 1.00 32.52 H new ATOM 0 HB2 ARG A 5 -7.209 -1.655 13.569 1.00 62.53 H new ATOM 0 HB3 ARG A 5 -6.500 -1.002 12.106 1.00 62.53 H new ATOM 0 HG2 ARG A 5 -9.336 -0.374 12.207 1.00 23.25 H new ATOM 0 HG3 ARG A 5 -8.550 0.134 13.688 1.00 23.25 H new ATOM 0 HD2 ARG A 5 -6.716 1.129 12.087 1.00 44.32 H new ATOM 0 HD3 ARG A 5 -7.947 0.979 10.849 1.00 44.32 H new ATOM 0 HE ARG A 5 -8.888 2.343 13.267 1.00 3.51 H new ATOM 0 HH11 ARG A 5 -7.277 2.672 10.144 1.00 74.04 H new ATOM 0 HH12 ARG A 5 -7.681 4.385 9.986 1.00 74.04 H new ATOM 0 HH21 ARG A 5 -9.404 4.543 13.057 1.00 14.20 H new ATOM 0 HH22 ARG A 5 -8.880 5.440 11.628 1.00 14.20 H new ATOM 97 N PRO A 6 -6.381 -2.673 9.963 1.00 62.33 N ATOM 98 CA PRO A 6 -5.294 -3.279 9.187 1.00 34.00 C ATOM 99 C PRO A 6 -3.963 -3.251 9.932 1.00 13.12 C ATOM 100 O PRO A 6 -3.808 -2.574 10.948 1.00 60.30 O ATOM 101 CB PRO A 6 -5.224 -2.404 7.933 1.00 2.03 C ATOM 102 CG PRO A 6 -5.777 -1.088 8.358 1.00 15.31 C ATOM 103 CD PRO A 6 -6.828 -1.394 9.390 1.00 52.44 C ATOM 0 HA PRO A 6 -5.480 -4.333 8.979 1.00 34.00 H new ATOM 0 HB2 PRO A 6 -4.199 -2.306 7.576 1.00 2.03 H new ATOM 0 HB3 PRO A 6 -5.806 -2.833 7.118 1.00 2.03 H new ATOM 0 HG2 PRO A 6 -4.995 -0.452 8.774 1.00 15.31 H new ATOM 0 HG3 PRO A 6 -6.206 -0.553 7.511 1.00 15.31 H new ATOM 0 HD2 PRO A 6 -6.886 -0.613 10.148 1.00 52.44 H new ATOM 0 HD3 PRO A 6 -7.818 -1.478 8.942 1.00 52.44 H new ATOM 111 N PRO A 7 -2.980 -4.001 9.416 1.00 53.23 N ATOM 112 CA PRO A 7 -1.644 -4.078 10.015 1.00 1.25 C ATOM 113 C PRO A 7 -0.865 -2.776 9.862 1.00 44.32 C ATOM 114 O PRO A 7 -1.252 -1.877 9.115 1.00 41.14 O ATOM 115 CB PRO A 7 -0.966 -5.203 9.229 1.00 62.51 C ATOM 116 CG PRO A 7 -1.672 -5.227 7.918 1.00 75.43 C ATOM 117 CD PRO A 7 -3.094 -4.834 8.206 1.00 14.23 C ATOM 0 HA PRO A 7 -1.689 -4.258 11.089 1.00 1.25 H new ATOM 0 HB2 PRO A 7 0.099 -5.011 9.102 1.00 62.51 H new ATOM 0 HB3 PRO A 7 -1.058 -6.158 9.746 1.00 62.51 H new ATOM 0 HG2 PRO A 7 -1.211 -4.535 7.214 1.00 75.43 H new ATOM 0 HG3 PRO A 7 -1.625 -6.218 7.467 1.00 75.43 H new ATOM 0 HD2 PRO A 7 -3.533 -4.280 7.377 1.00 14.23 H new ATOM 0 HD3 PRO A 7 -3.725 -5.706 8.377 1.00 14.23 H new ATOM 125 N PRO A 8 0.261 -2.671 10.584 1.00 50.14 N ATOM 126 CA PRO A 8 1.119 -1.483 10.544 1.00 14.31 C ATOM 127 C PRO A 8 1.846 -1.337 9.211 1.00 14.11 C ATOM 128 O PRO A 8 1.677 -2.157 8.308 1.00 71.31 O ATOM 129 CB PRO A 8 2.121 -1.732 11.674 1.00 44.30 C ATOM 130 CG PRO A 8 2.165 -3.214 11.821 1.00 21.31 C ATOM 131 CD PRO A 8 0.782 -3.705 11.495 1.00 3.23 C ATOM 0 HA PRO A 8 0.546 -0.563 10.658 1.00 14.31 H new ATOM 0 HB2 PRO A 8 3.103 -1.329 11.428 1.00 44.30 H new ATOM 0 HB3 PRO A 8 1.802 -1.252 12.599 1.00 44.30 H new ATOM 0 HG2 PRO A 8 2.903 -3.651 11.148 1.00 21.31 H new ATOM 0 HG3 PRO A 8 2.451 -3.497 12.834 1.00 21.31 H new ATOM 0 HD2 PRO A 8 0.805 -4.686 11.019 1.00 3.23 H new ATOM 0 HD3 PRO A 8 0.167 -3.799 12.390 1.00 3.23 H new ATOM 139 N VAL A 9 2.652 -0.287 9.093 1.00 31.01 N ATOM 140 CA VAL A 9 3.404 -0.034 7.871 1.00 41.43 C ATOM 141 C VAL A 9 4.333 -1.199 7.546 1.00 24.00 C ATOM 142 O VAL A 9 4.942 -1.803 8.429 1.00 41.14 O ATOM 143 CB VAL A 9 4.237 1.256 7.980 1.00 2.32 C ATOM 144 CG1 VAL A 9 3.343 2.480 7.855 1.00 3.21 C ATOM 145 CG2 VAL A 9 5.009 1.282 9.291 1.00 72.10 C ATOM 0 H VAL A 9 2.801 0.402 9.830 1.00 31.01 H new ATOM 0 HA VAL A 9 2.674 0.081 7.070 1.00 41.43 H new ATOM 0 HB VAL A 9 4.956 1.275 7.161 1.00 2.32 H new ATOM 0 HG11 VAL A 9 3.949 3.383 7.934 1.00 3.21 H new ATOM 0 HG12 VAL A 9 2.839 2.465 6.889 1.00 3.21 H new ATOM 0 HG13 VAL A 9 2.600 2.471 8.652 1.00 3.21 H new ATOM 0 HG21 VAL A 9 5.592 2.201 9.352 1.00 72.10 H new ATOM 0 HG22 VAL A 9 4.310 1.241 10.126 1.00 72.10 H new ATOM 0 HG23 VAL A 9 5.679 0.423 9.336 1.00 72.10 H new ATOM 155 N PRO A 10 4.447 -1.523 6.250 1.00 51.55 N ATOM 156 CA PRO A 10 5.302 -2.617 5.778 1.00 31.35 C ATOM 157 C PRO A 10 6.785 -2.301 5.929 1.00 22.14 C ATOM 158 O PRO A 10 7.478 -2.044 4.947 1.00 45.33 O ATOM 159 CB PRO A 10 4.929 -2.744 4.299 1.00 4.01 C ATOM 160 CG PRO A 10 4.424 -1.396 3.918 1.00 1.31 C ATOM 161 CD PRO A 10 3.750 -0.844 5.144 1.00 74.21 C ATOM 0 HA PRO A 10 5.148 -3.531 6.351 1.00 31.35 H new ATOM 0 HB2 PRO A 10 5.792 -3.028 3.696 1.00 4.01 H new ATOM 0 HB3 PRO A 10 4.168 -3.509 4.147 1.00 4.01 H new ATOM 0 HG2 PRO A 10 5.241 -0.750 3.597 1.00 1.31 H new ATOM 0 HG3 PRO A 10 3.724 -1.463 3.085 1.00 1.31 H new ATOM 0 HD2 PRO A 10 3.855 0.239 5.207 1.00 74.21 H new ATOM 0 HD3 PRO A 10 2.682 -1.062 5.148 1.00 74.21 H new ATOM 169 N ASN A 11 7.266 -2.320 7.168 1.00 60.31 N ATOM 170 CA ASN A 11 8.669 -2.036 7.449 1.00 11.24 C ATOM 171 C ASN A 11 9.185 -0.912 6.554 1.00 72.11 C ATOM 172 O ASN A 11 9.798 -1.147 5.512 1.00 5.33 O ATOM 173 CB ASN A 11 9.516 -3.294 7.247 1.00 24.15 C ATOM 174 CG ASN A 11 9.265 -3.950 5.904 1.00 44.45 C ATOM 175 OD1 ASN A 11 9.953 -3.666 4.923 1.00 62.54 O ATOM 176 ND2 ASN A 11 8.276 -4.834 5.854 1.00 0.03 N ATOM 0 H ASN A 11 6.705 -2.529 7.994 1.00 60.31 H new ATOM 0 HA ASN A 11 8.749 -1.716 8.488 1.00 11.24 H new ATOM 0 HB2 ASN A 11 10.572 -3.035 7.330 1.00 24.15 H new ATOM 0 HB3 ASN A 11 9.299 -4.007 8.043 1.00 24.15 H new ATOM 0 HD21 ASN A 11 8.060 -5.309 4.977 1.00 0.03 H new ATOM 0 HD22 ASN A 11 7.732 -5.038 6.692 1.00 0.03 H new ATOM 183 N PRO A 12 8.931 0.337 6.968 1.00 64.10 N ATOM 184 CA PRO A 12 9.363 1.522 6.220 1.00 72.10 C ATOM 185 C PRO A 12 10.876 1.712 6.256 1.00 34.31 C ATOM 186 O PRO A 12 11.504 1.565 7.304 1.00 44.01 O ATOM 187 CB PRO A 12 8.662 2.674 6.945 1.00 41.32 C ATOM 188 CG PRO A 12 8.440 2.171 8.330 1.00 14.14 C ATOM 189 CD PRO A 12 8.206 0.691 8.200 1.00 61.12 C ATOM 0 HA PRO A 12 9.111 1.450 5.162 1.00 72.10 H new ATOM 0 HB2 PRO A 12 9.276 3.574 6.945 1.00 41.32 H new ATOM 0 HB3 PRO A 12 7.720 2.931 6.461 1.00 41.32 H new ATOM 0 HG2 PRO A 12 9.304 2.376 8.963 1.00 14.14 H new ATOM 0 HG3 PRO A 12 7.583 2.663 8.791 1.00 14.14 H new ATOM 0 HD2 PRO A 12 8.590 0.146 9.063 1.00 61.12 H new ATOM 0 HD3 PRO A 12 7.144 0.457 8.122 1.00 61.12 H new ATOM 197 N ASP A 13 11.453 2.040 5.106 1.00 54.12 N ATOM 198 CA ASP A 13 12.892 2.251 5.006 1.00 1.32 C ATOM 199 C ASP A 13 13.200 3.608 4.379 1.00 64.34 C ATOM 200 O ASP A 13 14.128 3.737 3.579 1.00 60.41 O ATOM 201 CB ASP A 13 13.537 1.136 4.181 1.00 54.03 C ATOM 202 CG ASP A 13 13.584 -0.183 4.926 1.00 14.04 C ATOM 203 OD1 ASP A 13 12.558 -0.896 4.937 1.00 42.41 O ATOM 204 OD2 ASP A 13 14.647 -0.504 5.497 1.00 22.03 O ATOM 0 H ASP A 13 10.946 2.166 4.230 1.00 54.12 H new ATOM 0 HA ASP A 13 13.308 2.233 6.014 1.00 1.32 H new ATOM 0 HB2 ASP A 13 12.980 1.006 3.253 1.00 54.03 H new ATOM 0 HB3 ASP A 13 14.550 1.431 3.906 1.00 54.03 H new ATOM 210 N TYR A 14 12.417 4.615 4.747 1.00 75.24 N ATOM 211 CA TYR A 14 12.603 5.961 4.218 1.00 73.11 C ATOM 212 C TYR A 14 13.817 6.632 4.852 1.00 73.14 C ATOM 213 O TYR A 14 14.341 7.615 4.330 1.00 73.25 O ATOM 214 CB TYR A 14 11.351 6.806 4.465 1.00 63.15 C ATOM 215 CG TYR A 14 10.859 6.755 5.894 1.00 73.34 C ATOM 216 CD1 TYR A 14 11.618 7.280 6.932 1.00 4.40 C ATOM 217 CD2 TYR A 14 9.633 6.180 6.206 1.00 34.31 C ATOM 218 CE1 TYR A 14 11.172 7.234 8.238 1.00 52.23 C ATOM 219 CE2 TYR A 14 9.177 6.131 7.510 1.00 15.25 C ATOM 220 CZ TYR A 14 9.951 6.659 8.522 1.00 53.12 C ATOM 221 OH TYR A 14 9.502 6.612 9.822 1.00 2.31 O ATOM 0 H TYR A 14 11.647 4.525 5.410 1.00 75.24 H new ATOM 0 HA TYR A 14 12.774 5.882 3.144 1.00 73.11 H new ATOM 0 HB2 TYR A 14 11.563 7.842 4.199 1.00 63.15 H new ATOM 0 HB3 TYR A 14 10.555 6.464 3.803 1.00 63.15 H new ATOM 0 HD1 TYR A 14 12.574 7.732 6.714 1.00 4.40 H new ATOM 0 HD2 TYR A 14 9.026 5.764 5.416 1.00 34.31 H new ATOM 0 HE1 TYR A 14 11.776 7.646 9.033 1.00 52.23 H new ATOM 0 HE2 TYR A 14 8.221 5.682 7.735 1.00 15.25 H new ATOM 0 HH TYR A 14 8.625 6.176 9.850 1.00 2.31 H new ATOM 491 N GLU A 31 4.209 8.489 -16.505 1.00 74.53 N ATOM 492 CA GLU A 31 2.890 9.046 -16.226 1.00 71.23 C ATOM 493 C GLU A 31 1.985 8.003 -15.576 1.00 63.21 C ATOM 494 O GLU A 31 1.017 7.541 -16.181 1.00 22.22 O ATOM 495 CB GLU A 31 2.247 9.561 -17.516 1.00 65.31 C ATOM 496 CG GLU A 31 3.190 10.386 -18.378 1.00 33.31 C ATOM 497 CD GLU A 31 3.953 9.541 -19.379 1.00 64.44 C ATOM 498 OE1 GLU A 31 3.334 8.650 -19.997 1.00 2.24 O ATOM 499 OE2 GLU A 31 5.169 9.770 -19.543 1.00 44.22 O ATOM 0 HA GLU A 31 3.014 9.877 -15.532 1.00 71.23 H new ATOM 0 HB2 GLU A 31 1.886 8.712 -18.097 1.00 65.31 H new ATOM 0 HB3 GLU A 31 1.377 10.166 -17.262 1.00 65.31 H new ATOM 0 HG2 GLU A 31 2.618 11.146 -18.910 1.00 33.31 H new ATOM 0 HG3 GLU A 31 3.898 10.911 -17.736 1.00 33.31 H new ATOM 506 N VAL A 32 2.306 7.637 -14.340 1.00 64.12 N ATOM 507 CA VAL A 32 1.524 6.650 -13.607 1.00 60.34 C ATOM 508 C VAL A 32 0.715 7.307 -12.493 1.00 52.33 C ATOM 509 O VAL A 32 1.063 8.387 -12.014 1.00 24.32 O ATOM 510 CB VAL A 32 2.425 5.559 -12.996 1.00 51.10 C ATOM 511 CG1 VAL A 32 1.588 4.390 -12.502 1.00 35.32 C ATOM 512 CG2 VAL A 32 3.458 5.094 -14.010 1.00 53.44 C ATOM 0 H VAL A 32 3.103 8.010 -13.825 1.00 64.12 H new ATOM 0 HA VAL A 32 0.844 6.190 -14.324 1.00 60.34 H new ATOM 0 HB VAL A 32 2.952 5.984 -12.142 1.00 51.10 H new ATOM 0 HG11 VAL A 32 2.241 3.630 -12.074 1.00 35.32 H new ATOM 0 HG12 VAL A 32 0.890 4.738 -11.741 1.00 35.32 H new ATOM 0 HG13 VAL A 32 1.032 3.962 -13.336 1.00 35.32 H new ATOM 0 HG21 VAL A 32 4.086 4.324 -13.562 1.00 53.44 H new ATOM 0 HG22 VAL A 32 2.951 4.686 -14.885 1.00 53.44 H new ATOM 0 HG23 VAL A 32 4.078 5.938 -14.311 1.00 53.44 H new ATOM 522 N ILE A 33 -0.365 6.649 -12.086 1.00 52.43 N ATOM 523 CA ILE A 33 -1.221 7.169 -11.027 1.00 74.02 C ATOM 524 C ILE A 33 -1.698 6.051 -10.107 1.00 40.41 C ATOM 525 O ILE A 33 -2.127 4.993 -10.568 1.00 72.12 O ATOM 526 CB ILE A 33 -2.448 7.900 -11.605 1.00 51.02 C ATOM 527 CG1 ILE A 33 -2.018 9.198 -12.292 1.00 22.20 C ATOM 528 CG2 ILE A 33 -3.459 8.187 -10.505 1.00 55.35 C ATOM 529 CD1 ILE A 33 -3.154 9.918 -12.987 1.00 41.13 C ATOM 0 H ILE A 33 -0.668 5.755 -12.473 1.00 52.43 H new ATOM 0 HA ILE A 33 -0.621 7.877 -10.455 1.00 74.02 H new ATOM 0 HB ILE A 33 -2.920 7.257 -12.348 1.00 51.02 H new ATOM 0 HG12 ILE A 33 -1.576 9.863 -11.550 1.00 22.20 H new ATOM 0 HG13 ILE A 33 -1.240 8.973 -13.022 1.00 22.20 H new ATOM 0 HG21 ILE A 33 -4.320 8.704 -10.928 1.00 55.35 H new ATOM 0 HG22 ILE A 33 -3.784 7.249 -10.055 1.00 55.35 H new ATOM 0 HG23 ILE A 33 -2.998 8.815 -9.742 1.00 55.35 H new ATOM 0 HD11 ILE A 33 -2.777 10.829 -13.452 1.00 41.13 H new ATOM 0 HD12 ILE A 33 -3.581 9.270 -13.752 1.00 41.13 H new ATOM 0 HD13 ILE A 33 -3.923 10.174 -12.258 1.00 41.13 H new ATOM 541 N VAL A 34 -1.620 6.292 -8.802 1.00 12.32 N ATOM 542 CA VAL A 34 -2.046 5.306 -7.815 1.00 43.00 C ATOM 543 C VAL A 34 -3.256 5.801 -7.033 1.00 61.35 C ATOM 544 O VAL A 34 -3.559 6.995 -7.024 1.00 42.15 O ATOM 545 CB VAL A 34 -0.911 4.974 -6.829 1.00 24.02 C ATOM 546 CG1 VAL A 34 -0.752 6.087 -5.804 1.00 22.34 C ATOM 547 CG2 VAL A 34 -1.173 3.641 -6.145 1.00 61.31 C ATOM 0 H VAL A 34 -1.266 7.162 -8.403 1.00 12.32 H new ATOM 0 HA VAL A 34 -2.316 4.403 -8.363 1.00 43.00 H new ATOM 0 HB VAL A 34 0.021 4.892 -7.388 1.00 24.02 H new ATOM 0 HG11 VAL A 34 0.055 5.835 -5.115 1.00 22.34 H new ATOM 0 HG12 VAL A 34 -0.515 7.021 -6.314 1.00 22.34 H new ATOM 0 HG13 VAL A 34 -1.681 6.204 -5.247 1.00 22.34 H new ATOM 0 HG21 VAL A 34 -0.361 3.422 -5.452 1.00 61.31 H new ATOM 0 HG22 VAL A 34 -2.114 3.692 -5.597 1.00 61.31 H new ATOM 0 HG23 VAL A 34 -1.232 2.852 -6.895 1.00 61.31 H new ATOM 557 N ILE A 35 -3.947 4.875 -6.375 1.00 4.41 N ATOM 558 CA ILE A 35 -5.125 5.218 -5.587 1.00 75.14 C ATOM 559 C ILE A 35 -4.992 4.717 -4.154 1.00 62.22 C ATOM 560 O ILE A 35 -4.731 3.537 -3.919 1.00 41.34 O ATOM 561 CB ILE A 35 -6.406 4.630 -6.208 1.00 33.12 C ATOM 562 CG1 ILE A 35 -6.591 5.147 -7.637 1.00 1.01 C ATOM 563 CG2 ILE A 35 -7.616 4.977 -5.352 1.00 42.12 C ATOM 564 CD1 ILE A 35 -7.827 4.605 -8.320 1.00 22.42 C ATOM 0 H ILE A 35 -3.711 3.883 -6.372 1.00 4.41 H new ATOM 0 HA ILE A 35 -5.198 6.306 -5.583 1.00 75.14 H new ATOM 0 HB ILE A 35 -6.310 3.545 -6.245 1.00 33.12 H new ATOM 0 HG12 ILE A 35 -6.645 6.235 -7.617 1.00 1.01 H new ATOM 0 HG13 ILE A 35 -5.714 4.882 -8.227 1.00 1.01 H new ATOM 0 HG21 ILE A 35 -8.514 4.555 -5.803 1.00 42.12 H new ATOM 0 HG22 ILE A 35 -7.484 4.565 -4.352 1.00 42.12 H new ATOM 0 HG23 ILE A 35 -7.717 6.060 -5.287 1.00 42.12 H new ATOM 0 HD11 ILE A 35 -7.894 5.013 -9.328 1.00 22.42 H new ATOM 0 HD12 ILE A 35 -7.767 3.518 -8.372 1.00 22.42 H new ATOM 0 HD13 ILE A 35 -8.712 4.893 -7.752 1.00 22.42 H new ATOM 576 N ALA A 36 -5.175 5.621 -3.198 1.00 64.25 N ATOM 577 CA ALA A 36 -5.079 5.270 -1.786 1.00 74.11 C ATOM 578 C ALA A 36 -6.266 4.417 -1.350 1.00 72.14 C ATOM 579 O ALA A 36 -7.408 4.876 -1.354 1.00 44.11 O ATOM 580 CB ALA A 36 -4.990 6.527 -0.934 1.00 71.42 C ATOM 0 H ALA A 36 -5.391 6.602 -3.375 1.00 64.25 H new ATOM 0 HA ALA A 36 -4.171 4.683 -1.645 1.00 74.11 H new ATOM 0 HB1 ALA A 36 -4.919 6.249 0.118 1.00 71.42 H new ATOM 0 HB2 ALA A 36 -4.106 7.098 -1.219 1.00 71.42 H new ATOM 0 HB3 ALA A 36 -5.881 7.136 -1.089 1.00 71.42 H new ATOM 586 N LYS A 37 -5.988 3.173 -0.976 1.00 14.13 N ATOM 587 CA LYS A 37 -7.032 2.254 -0.536 1.00 13.52 C ATOM 588 C LYS A 37 -7.790 2.823 0.659 1.00 43.54 C ATOM 589 O LYS A 37 -8.983 2.572 0.827 1.00 22.32 O ATOM 590 CB LYS A 37 -6.427 0.896 -0.174 1.00 2.35 C ATOM 591 CG LYS A 37 -5.761 0.195 -1.344 1.00 40.15 C ATOM 592 CD LYS A 37 -5.526 -1.278 -1.049 1.00 54.51 C ATOM 593 CE LYS A 37 -4.055 -1.567 -0.792 1.00 34.44 C ATOM 594 NZ LYS A 37 -3.849 -2.928 -0.223 1.00 61.40 N ATOM 0 H LYS A 37 -5.048 2.777 -0.969 1.00 14.13 H new ATOM 0 HA LYS A 37 -7.735 2.122 -1.358 1.00 13.52 H new ATOM 0 HB2 LYS A 37 -5.694 1.035 0.621 1.00 2.35 H new ATOM 0 HB3 LYS A 37 -7.212 0.253 0.225 1.00 2.35 H new ATOM 0 HG2 LYS A 37 -6.385 0.294 -2.232 1.00 40.15 H new ATOM 0 HG3 LYS A 37 -4.810 0.679 -1.566 1.00 40.15 H new ATOM 0 HD2 LYS A 37 -6.113 -1.574 -0.180 1.00 54.51 H new ATOM 0 HD3 LYS A 37 -5.875 -1.879 -1.889 1.00 54.51 H new ATOM 0 HE2 LYS A 37 -3.498 -1.475 -1.725 1.00 34.44 H new ATOM 0 HE3 LYS A 37 -3.653 -0.822 -0.106 1.00 34.44 H new ATOM 0 HZ1 LYS A 37 -3.288 -2.858 0.650 1.00 61.40 H new ATOM 0 HZ2 LYS A 37 -4.771 -3.358 -0.008 1.00 61.40 H new ATOM 0 HZ3 LYS A 37 -3.343 -3.520 -0.913 1.00 61.40 H new ATOM 608 N TRP A 38 -7.088 3.589 1.487 1.00 50.44 N ATOM 609 CA TRP A 38 -7.695 4.194 2.667 1.00 1.43 C ATOM 610 C TRP A 38 -7.107 5.576 2.934 1.00 71.10 C ATOM 611 O TRP A 38 -6.383 6.123 2.102 1.00 15.34 O ATOM 612 CB TRP A 38 -7.491 3.296 3.887 1.00 0.30 C ATOM 613 CG TRP A 38 -7.187 1.871 3.533 1.00 12.51 C ATOM 614 CD1 TRP A 38 -5.954 1.286 3.477 1.00 13.51 C ATOM 615 CD2 TRP A 38 -8.132 0.855 3.184 1.00 51.23 C ATOM 616 NE1 TRP A 38 -6.076 -0.032 3.114 1.00 74.14 N ATOM 617 CE2 TRP A 38 -7.403 -0.323 2.929 1.00 0.42 C ATOM 618 CE3 TRP A 38 -9.523 0.824 3.063 1.00 35.13 C ATOM 619 CZ2 TRP A 38 -8.018 -1.516 2.560 1.00 71.20 C ATOM 620 CZ3 TRP A 38 -10.134 -0.361 2.697 1.00 35.53 C ATOM 621 CH2 TRP A 38 -9.383 -1.517 2.450 1.00 25.33 C ATOM 0 H TRP A 38 -6.099 3.806 1.363 1.00 50.44 H new ATOM 0 HA TRP A 38 -8.763 4.304 2.480 1.00 1.43 H new ATOM 0 HB2 TRP A 38 -6.675 3.695 4.490 1.00 0.30 H new ATOM 0 HB3 TRP A 38 -8.388 3.326 4.505 1.00 0.30 H new ATOM 0 HD1 TRP A 38 -5.021 1.787 3.687 1.00 13.51 H new ATOM 0 HE1 TRP A 38 -5.304 -0.689 3.000 1.00 74.14 H new ATOM 0 HE3 TRP A 38 -10.111 1.710 3.252 1.00 35.13 H new ATOM 0 HZ2 TRP A 38 -7.440 -2.408 2.368 1.00 71.20 H new ATOM 0 HZ3 TRP A 38 -11.209 -0.396 2.600 1.00 35.53 H new ATOM 0 HH2 TRP A 38 -9.890 -2.427 2.167 1.00 25.33 H new ATOM 632 N ASP A 39 -7.423 6.134 4.096 1.00 2.02 N ATOM 633 CA ASP A 39 -6.925 7.453 4.473 1.00 60.23 C ATOM 634 C ASP A 39 -5.879 7.343 5.575 1.00 65.35 C ATOM 635 O ASP A 39 -6.170 6.884 6.680 1.00 22.13 O ATOM 636 CB ASP A 39 -8.079 8.344 4.933 1.00 23.24 C ATOM 637 CG ASP A 39 -9.387 7.588 5.042 1.00 34.11 C ATOM 638 OD1 ASP A 39 -9.466 6.647 5.860 1.00 3.12 O ATOM 639 OD2 ASP A 39 -10.337 7.937 4.308 1.00 63.33 O ATOM 0 H ASP A 39 -8.022 5.694 4.795 1.00 2.02 H new ATOM 0 HA ASP A 39 -6.457 7.903 3.597 1.00 60.23 H new ATOM 0 HB2 ASP A 39 -7.833 8.780 5.901 1.00 23.24 H new ATOM 0 HB3 ASP A 39 -8.198 9.170 4.232 1.00 23.24 H new ATOM 645 N TYR A 40 -4.656 7.765 5.268 1.00 54.11 N ATOM 646 CA TYR A 40 -3.563 7.711 6.232 1.00 13.24 C ATOM 647 C TYR A 40 -2.923 9.085 6.407 1.00 20.55 C ATOM 648 O TYR A 40 -2.772 9.840 5.446 1.00 14.24 O ATOM 649 CB TYR A 40 -2.510 6.698 5.783 1.00 25.01 C ATOM 650 CG TYR A 40 -2.003 5.816 6.903 1.00 12.22 C ATOM 651 CD1 TYR A 40 -2.885 5.091 7.695 1.00 64.30 C ATOM 652 CD2 TYR A 40 -0.644 5.709 7.168 1.00 3.02 C ATOM 653 CE1 TYR A 40 -2.426 4.285 8.719 1.00 63.05 C ATOM 654 CE2 TYR A 40 -0.176 4.904 8.188 1.00 61.32 C ATOM 655 CZ TYR A 40 -1.071 4.195 8.961 1.00 53.24 C ATOM 656 OH TYR A 40 -0.610 3.392 9.980 1.00 22.11 O ATOM 0 H TYR A 40 -4.397 8.148 4.359 1.00 54.11 H new ATOM 0 HA TYR A 40 -3.973 7.397 7.192 1.00 13.24 H new ATOM 0 HB2 TYR A 40 -2.933 6.069 5.000 1.00 25.01 H new ATOM 0 HB3 TYR A 40 -1.668 7.232 5.343 1.00 25.01 H new ATOM 0 HD1 TYR A 40 -3.946 5.159 7.507 1.00 64.30 H new ATOM 0 HD2 TYR A 40 0.059 6.265 6.566 1.00 3.02 H new ATOM 0 HE1 TYR A 40 -3.124 3.729 9.327 1.00 63.05 H new ATOM 0 HE2 TYR A 40 0.884 4.830 8.379 1.00 61.32 H new ATOM 0 HH TYR A 40 0.368 3.439 10.017 1.00 22.11 H new ATOM 666 N THR A 41 -2.547 9.403 7.642 1.00 40.02 N ATOM 667 CA THR A 41 -1.923 10.683 7.945 1.00 4.13 C ATOM 668 C THR A 41 -0.411 10.542 8.076 1.00 52.15 C ATOM 669 O THR A 41 0.082 9.653 8.769 1.00 34.23 O ATOM 670 CB THR A 41 -2.485 11.289 9.246 1.00 64.40 C ATOM 671 OG1 THR A 41 -1.913 12.582 9.472 1.00 21.02 O ATOM 672 CG2 THR A 41 -2.191 10.384 10.433 1.00 14.12 C ATOM 0 H THR A 41 -2.664 8.790 8.449 1.00 40.02 H new ATOM 0 HA THR A 41 -2.152 11.349 7.113 1.00 4.13 H new ATOM 0 HB THR A 41 -3.566 11.385 9.140 1.00 64.40 H new ATOM 0 HG1 THR A 41 -1.562 12.936 8.628 1.00 21.02 H new ATOM 0 HG21 THR A 41 -2.596 10.831 11.341 1.00 14.12 H new ATOM 0 HG22 THR A 41 -2.652 9.410 10.271 1.00 14.12 H new ATOM 0 HG23 THR A 41 -1.113 10.262 10.539 1.00 14.12 H new ATOM 680 N ALA A 42 0.322 11.425 7.404 1.00 13.44 N ATOM 681 CA ALA A 42 1.778 11.399 7.448 1.00 14.41 C ATOM 682 C ALA A 42 2.286 11.476 8.882 1.00 24.33 C ATOM 683 O ALA A 42 1.914 12.376 9.635 1.00 11.43 O ATOM 684 CB ALA A 42 2.351 12.543 6.621 1.00 61.12 C ATOM 0 H ALA A 42 -0.069 12.166 6.823 1.00 13.44 H new ATOM 0 HA ALA A 42 2.113 10.453 7.023 1.00 14.41 H new ATOM 0 HB1 ALA A 42 3.440 12.512 6.662 1.00 61.12 H new ATOM 0 HB2 ALA A 42 2.024 12.443 5.586 1.00 61.12 H new ATOM 0 HB3 ALA A 42 2.000 13.494 7.022 1.00 61.12 H new ATOM 690 N GLN A 43 3.137 10.525 9.255 1.00 21.03 N ATOM 691 CA GLN A 43 3.695 10.486 10.602 1.00 40.40 C ATOM 692 C GLN A 43 4.973 11.314 10.688 1.00 52.30 C ATOM 693 O GLN A 43 5.159 12.090 11.624 1.00 22.13 O ATOM 694 CB GLN A 43 3.980 9.041 11.016 1.00 64.32 C ATOM 695 CG GLN A 43 2.862 8.074 10.663 1.00 50.21 C ATOM 696 CD GLN A 43 3.126 7.323 9.373 1.00 2.25 C ATOM 697 OE1 GLN A 43 4.275 7.045 9.027 1.00 74.40 O ATOM 698 NE2 GLN A 43 2.062 6.993 8.651 1.00 71.13 N ATOM 0 H GLN A 43 3.455 9.772 8.644 1.00 21.03 H new ATOM 0 HA GLN A 43 2.961 10.915 11.284 1.00 40.40 H new ATOM 0 HB2 GLN A 43 4.901 8.709 10.536 1.00 64.32 H new ATOM 0 HB3 GLN A 43 4.152 9.007 12.092 1.00 64.32 H new ATOM 0 HG2 GLN A 43 2.735 7.359 11.476 1.00 50.21 H new ATOM 0 HG3 GLN A 43 1.925 8.624 10.573 1.00 50.21 H new ATOM 0 HE21 GLN A 43 1.128 7.243 8.975 1.00 71.13 H new ATOM 0 HE22 GLN A 43 2.179 6.489 7.772 1.00 71.13 H new ATOM 707 N GLN A 44 5.850 11.142 9.704 1.00 13.10 N ATOM 708 CA GLN A 44 7.110 11.874 9.668 1.00 63.20 C ATOM 709 C GLN A 44 6.972 13.161 8.862 1.00 14.21 C ATOM 710 O GLN A 44 5.864 13.564 8.504 1.00 4.40 O ATOM 711 CB GLN A 44 8.215 11.000 9.071 1.00 51.11 C ATOM 712 CG GLN A 44 8.138 9.544 9.501 1.00 24.23 C ATOM 713 CD GLN A 44 8.438 9.358 10.976 1.00 72.52 C ATOM 714 OE1 GLN A 44 9.207 10.116 11.567 1.00 12.24 O ATOM 715 NE2 GLN A 44 7.830 8.341 11.579 1.00 3.13 N ATOM 0 H GLN A 44 5.711 10.502 8.922 1.00 13.10 H new ATOM 0 HA GLN A 44 7.377 12.137 10.692 1.00 63.20 H new ATOM 0 HB2 GLN A 44 8.161 11.052 7.984 1.00 51.11 H new ATOM 0 HB3 GLN A 44 9.184 11.405 9.362 1.00 51.11 H new ATOM 0 HG2 GLN A 44 7.143 9.157 9.284 1.00 24.23 H new ATOM 0 HG3 GLN A 44 8.844 8.957 8.913 1.00 24.23 H new ATOM 0 HE21 GLN A 44 7.200 7.737 11.050 1.00 3.13 H new ATOM 0 HE22 GLN A 44 7.993 8.164 12.570 1.00 3.13 H new ATOM 724 N ASP A 45 8.100 13.800 8.579 1.00 44.32 N ATOM 725 CA ASP A 45 8.105 15.042 7.814 1.00 41.55 C ATOM 726 C ASP A 45 8.254 14.760 6.322 1.00 12.30 C ATOM 727 O ASP A 45 8.029 15.639 5.489 1.00 24.41 O ATOM 728 CB ASP A 45 9.236 15.955 8.288 1.00 51.25 C ATOM 729 CG ASP A 45 8.861 16.750 9.523 1.00 53.55 C ATOM 730 OD1 ASP A 45 7.651 16.966 9.743 1.00 13.24 O ATOM 731 OD2 ASP A 45 9.776 17.156 10.268 1.00 70.45 O ATOM 0 H ASP A 45 9.024 13.479 8.868 1.00 44.32 H new ATOM 0 HA ASP A 45 7.151 15.544 7.978 1.00 41.55 H new ATOM 0 HB2 ASP A 45 10.119 15.353 8.502 1.00 51.25 H new ATOM 0 HB3 ASP A 45 9.505 16.642 7.485 1.00 51.25 H new ATOM 737 N GLN A 46 8.634 13.530 5.993 1.00 55.50 N ATOM 738 CA GLN A 46 8.815 13.134 4.601 1.00 15.10 C ATOM 739 C GLN A 46 7.587 12.393 4.081 1.00 32.41 C ATOM 740 O GLN A 46 7.390 12.268 2.873 1.00 60.53 O ATOM 741 CB GLN A 46 10.056 12.252 4.456 1.00 74.25 C ATOM 742 CG GLN A 46 10.020 11.005 5.325 1.00 44.11 C ATOM 743 CD GLN A 46 11.258 10.860 6.187 1.00 71.21 C ATOM 744 OE1 GLN A 46 12.225 10.202 5.801 1.00 0.21 O ATOM 745 NE2 GLN A 46 11.236 11.475 7.364 1.00 34.31 N ATOM 0 H GLN A 46 8.822 12.791 6.670 1.00 55.50 H new ATOM 0 HA GLN A 46 8.949 14.038 4.008 1.00 15.10 H new ATOM 0 HB2 GLN A 46 10.161 11.955 3.413 1.00 74.25 H new ATOM 0 HB3 GLN A 46 10.940 12.837 4.711 1.00 74.25 H new ATOM 0 HG2 GLN A 46 9.138 11.038 5.965 1.00 44.11 H new ATOM 0 HG3 GLN A 46 9.920 10.126 4.689 1.00 44.11 H new ATOM 0 HE21 GLN A 46 10.414 12.010 7.645 1.00 34.31 H new ATOM 0 HE22 GLN A 46 12.041 11.412 7.987 1.00 34.31 H new ATOM 754 N GLU A 47 6.763 11.903 5.004 1.00 51.30 N ATOM 755 CA GLU A 47 5.555 11.173 4.638 1.00 4.44 C ATOM 756 C GLU A 47 4.459 12.131 4.180 1.00 73.44 C ATOM 757 O GLU A 47 4.515 13.332 4.449 1.00 52.13 O ATOM 758 CB GLU A 47 5.057 10.342 5.822 1.00 62.34 C ATOM 759 CG GLU A 47 6.144 9.506 6.479 1.00 3.44 C ATOM 760 CD GLU A 47 6.542 8.305 5.644 1.00 72.31 C ATOM 761 OE1 GLU A 47 6.562 8.425 4.402 1.00 30.14 O ATOM 762 OE2 GLU A 47 6.834 7.245 6.234 1.00 72.34 O ATOM 0 H GLU A 47 6.910 11.999 6.009 1.00 51.30 H new ATOM 0 HA GLU A 47 5.800 10.506 3.812 1.00 4.44 H new ATOM 0 HB2 GLU A 47 4.624 11.009 6.567 1.00 62.34 H new ATOM 0 HB3 GLU A 47 4.259 9.682 5.482 1.00 62.34 H new ATOM 0 HG2 GLU A 47 7.021 10.129 6.653 1.00 3.44 H new ATOM 0 HG3 GLU A 47 5.796 9.166 7.454 1.00 3.44 H new ATOM 769 N LEU A 48 3.465 11.591 3.484 1.00 34.20 N ATOM 770 CA LEU A 48 2.354 12.397 2.986 1.00 44.23 C ATOM 771 C LEU A 48 1.016 11.818 3.436 1.00 44.53 C ATOM 772 O LEU A 48 0.863 10.602 3.556 1.00 1.53 O ATOM 773 CB LEU A 48 2.401 12.476 1.459 1.00 32.02 C ATOM 774 CG LEU A 48 2.228 13.869 0.853 1.00 62.33 C ATOM 775 CD1 LEU A 48 2.805 13.915 -0.553 1.00 15.03 C ATOM 776 CD2 LEU A 48 0.760 14.267 0.843 1.00 14.13 C ATOM 0 H LEU A 48 3.405 10.600 3.251 1.00 34.20 H new ATOM 0 HA LEU A 48 2.451 13.401 3.399 1.00 44.23 H new ATOM 0 HB2 LEU A 48 3.356 12.072 1.124 1.00 32.02 H new ATOM 0 HB3 LEU A 48 1.622 11.828 1.058 1.00 32.02 H new ATOM 0 HG LEU A 48 2.773 14.583 1.470 1.00 62.33 H new ATOM 0 HD11 LEU A 48 2.673 14.914 -0.968 1.00 15.03 H new ATOM 0 HD12 LEU A 48 3.868 13.674 -0.518 1.00 15.03 H new ATOM 0 HD13 LEU A 48 2.289 13.190 -1.182 1.00 15.03 H new ATOM 0 HD21 LEU A 48 0.655 15.261 0.408 1.00 14.13 H new ATOM 0 HD22 LEU A 48 0.193 13.550 0.250 1.00 14.13 H new ATOM 0 HD23 LEU A 48 0.378 14.275 1.864 1.00 14.13 H new ATOM 788 N ASP A 49 0.051 12.696 3.681 1.00 23.10 N ATOM 789 CA ASP A 49 -1.275 12.272 4.114 1.00 21.14 C ATOM 790 C ASP A 49 -2.163 11.953 2.916 1.00 43.34 C ATOM 791 O ASP A 49 -2.474 12.831 2.110 1.00 74.53 O ATOM 792 CB ASP A 49 -1.927 13.360 4.971 1.00 33.43 C ATOM 793 CG ASP A 49 -0.911 14.153 5.772 1.00 34.51 C ATOM 794 OD1 ASP A 49 -0.225 15.010 5.177 1.00 21.13 O ATOM 795 OD2 ASP A 49 -0.803 13.914 6.994 1.00 12.33 O ATOM 0 H ASP A 49 0.162 13.706 3.587 1.00 23.10 H new ATOM 0 HA ASP A 49 -1.162 11.367 4.711 1.00 21.14 H new ATOM 0 HB2 ASP A 49 -2.487 14.038 4.327 1.00 33.43 H new ATOM 0 HB3 ASP A 49 -2.644 12.901 5.652 1.00 33.43 H new ATOM 801 N ILE A 50 -2.565 10.692 2.804 1.00 72.42 N ATOM 802 CA ILE A 50 -3.416 10.256 1.703 1.00 24.13 C ATOM 803 C ILE A 50 -4.851 10.040 2.171 1.00 14.32 C ATOM 804 O ILE A 50 -5.097 9.713 3.331 1.00 65.25 O ATOM 805 CB ILE A 50 -2.893 8.954 1.069 1.00 71.44 C ATOM 806 CG1 ILE A 50 -2.631 7.904 2.151 1.00 13.43 C ATOM 807 CG2 ILE A 50 -1.629 9.225 0.268 1.00 42.52 C ATOM 808 CD1 ILE A 50 -2.189 6.566 1.600 1.00 44.11 C ATOM 0 H ILE A 50 -2.315 9.954 3.462 1.00 72.42 H new ATOM 0 HA ILE A 50 -3.395 11.048 0.955 1.00 24.13 H new ATOM 0 HB ILE A 50 -3.653 8.567 0.390 1.00 71.44 H new ATOM 0 HG12 ILE A 50 -1.866 8.278 2.831 1.00 13.43 H new ATOM 0 HG13 ILE A 50 -3.539 7.764 2.738 1.00 13.43 H new ATOM 0 HG21 ILE A 50 -1.272 8.295 -0.174 1.00 42.52 H new ATOM 0 HG22 ILE A 50 -1.846 9.942 -0.523 1.00 42.52 H new ATOM 0 HG23 ILE A 50 -0.862 9.632 0.926 1.00 42.52 H new ATOM 0 HD11 ILE A 50 -2.022 5.871 2.423 1.00 44.11 H new ATOM 0 HD12 ILE A 50 -2.963 6.170 0.942 1.00 44.11 H new ATOM 0 HD13 ILE A 50 -1.264 6.692 1.037 1.00 44.11 H new ATOM 820 N LYS A 51 -5.799 10.227 1.258 1.00 44.34 N ATOM 821 CA LYS A 51 -7.211 10.052 1.574 1.00 75.02 C ATOM 822 C LYS A 51 -7.781 8.833 0.854 1.00 13.32 C ATOM 823 O LYS A 51 -7.208 8.350 -0.122 1.00 24.11 O ATOM 824 CB LYS A 51 -8.001 11.303 1.185 1.00 52.43 C ATOM 825 CG LYS A 51 -8.838 11.871 2.319 1.00 73.24 C ATOM 826 CD LYS A 51 -8.994 13.377 2.195 1.00 22.44 C ATOM 827 CE LYS A 51 -9.116 14.038 3.561 1.00 61.24 C ATOM 828 NZ LYS A 51 -10.142 15.117 3.564 1.00 22.13 N ATOM 0 H LYS A 51 -5.614 10.500 0.293 1.00 44.34 H new ATOM 0 HA LYS A 51 -7.301 9.893 2.649 1.00 75.02 H new ATOM 0 HB2 LYS A 51 -7.306 12.068 0.839 1.00 52.43 H new ATOM 0 HB3 LYS A 51 -8.655 11.063 0.347 1.00 52.43 H new ATOM 0 HG2 LYS A 51 -9.821 11.401 2.318 1.00 73.24 H new ATOM 0 HG3 LYS A 51 -8.371 11.630 3.274 1.00 73.24 H new ATOM 0 HD2 LYS A 51 -8.136 13.791 1.665 1.00 22.44 H new ATOM 0 HD3 LYS A 51 -9.878 13.605 1.599 1.00 22.44 H new ATOM 0 HE2 LYS A 51 -9.377 13.287 4.306 1.00 61.24 H new ATOM 0 HE3 LYS A 51 -8.151 14.453 3.851 1.00 61.24 H new ATOM 0 HZ1 LYS A 51 -10.195 15.543 4.511 1.00 22.13 H new ATOM 0 HZ2 LYS A 51 -9.880 15.847 2.871 1.00 22.13 H new ATOM 0 HZ3 LYS A 51 -11.068 14.716 3.312 1.00 22.13 H new ATOM 842 N LYS A 52 -8.916 8.341 1.341 1.00 44.21 N ATOM 843 CA LYS A 52 -9.567 7.181 0.744 1.00 4.32 C ATOM 844 C LYS A 52 -10.036 7.491 -0.673 1.00 53.32 C ATOM 845 O LYS A 52 -10.641 8.533 -0.924 1.00 23.44 O ATOM 846 CB LYS A 52 -10.755 6.740 1.601 1.00 63.45 C ATOM 847 CG LYS A 52 -11.795 7.827 1.806 1.00 43.53 C ATOM 848 CD LYS A 52 -12.895 7.376 2.754 1.00 51.33 C ATOM 849 CE LYS A 52 -13.899 6.475 2.052 1.00 1.21 C ATOM 850 NZ LYS A 52 -15.303 6.888 2.331 1.00 44.54 N ATOM 0 H LYS A 52 -9.404 8.728 2.148 1.00 44.21 H new ATOM 0 HA LYS A 52 -8.840 6.370 0.698 1.00 4.32 H new ATOM 0 HB2 LYS A 52 -11.230 5.878 1.132 1.00 63.45 H new ATOM 0 HB3 LYS A 52 -10.388 6.412 2.574 1.00 63.45 H new ATOM 0 HG2 LYS A 52 -11.315 8.721 2.204 1.00 43.53 H new ATOM 0 HG3 LYS A 52 -12.231 8.100 0.845 1.00 43.53 H new ATOM 0 HD2 LYS A 52 -12.455 6.844 3.598 1.00 51.33 H new ATOM 0 HD3 LYS A 52 -13.408 8.248 3.159 1.00 51.33 H new ATOM 0 HE2 LYS A 52 -13.720 6.499 0.977 1.00 1.21 H new ATOM 0 HE3 LYS A 52 -13.752 5.445 2.376 1.00 1.21 H new ATOM 0 HZ1 LYS A 52 -15.958 6.250 1.835 1.00 44.54 H new ATOM 0 HZ2 LYS A 52 -15.482 6.841 3.354 1.00 44.54 H new ATOM 0 HZ3 LYS A 52 -15.451 7.862 1.998 1.00 44.54 H new ATOM 864 N ASN A 53 -9.755 6.577 -1.598 1.00 13.14 N ATOM 865 CA ASN A 53 -10.151 6.754 -2.991 1.00 21.01 C ATOM 866 C ASN A 53 -9.420 7.937 -3.617 1.00 54.53 C ATOM 867 O ASN A 53 -9.798 8.416 -4.686 1.00 52.23 O ATOM 868 CB ASN A 53 -11.664 6.963 -3.091 1.00 21.00 C ATOM 869 CG ASN A 53 -12.191 6.699 -4.488 1.00 53.12 C ATOM 870 OD1 ASN A 53 -11.463 6.230 -5.362 1.00 43.53 O ATOM 871 ND2 ASN A 53 -13.468 7.001 -4.705 1.00 4.51 N ATOM 0 H ASN A 53 -9.256 5.708 -1.408 1.00 13.14 H new ATOM 0 HA ASN A 53 -9.880 5.851 -3.538 1.00 21.01 H new ATOM 0 HB2 ASN A 53 -12.167 6.303 -2.385 1.00 21.00 H new ATOM 0 HB3 ASN A 53 -11.907 7.985 -2.801 1.00 21.00 H new ATOM 0 HD21 ASN A 53 -13.880 6.845 -5.625 1.00 4.51 H new ATOM 0 HD22 ASN A 53 -14.036 7.388 -3.951 1.00 4.51 H new ATOM 878 N GLU A 54 -8.371 8.402 -2.946 1.00 35.33 N ATOM 879 CA GLU A 54 -7.588 9.529 -3.439 1.00 34.15 C ATOM 880 C GLU A 54 -6.553 9.068 -4.459 1.00 51.13 C ATOM 881 O GLU A 54 -5.886 8.051 -4.267 1.00 61.41 O ATOM 882 CB GLU A 54 -6.892 10.242 -2.277 1.00 70.41 C ATOM 883 CG GLU A 54 -6.253 11.563 -2.668 1.00 71.21 C ATOM 884 CD GLU A 54 -7.080 12.760 -2.243 1.00 31.23 C ATOM 885 OE1 GLU A 54 -8.325 12.651 -2.247 1.00 25.02 O ATOM 886 OE2 GLU A 54 -6.485 13.805 -1.908 1.00 43.43 O ATOM 0 H GLU A 54 -8.044 8.016 -2.060 1.00 35.33 H new ATOM 0 HA GLU A 54 -8.269 10.225 -3.928 1.00 34.15 H new ATOM 0 HB2 GLU A 54 -7.618 10.420 -1.484 1.00 70.41 H new ATOM 0 HB3 GLU A 54 -6.126 9.585 -1.866 1.00 70.41 H new ATOM 0 HG2 GLU A 54 -5.263 11.631 -2.216 1.00 71.21 H new ATOM 0 HG3 GLU A 54 -6.113 11.588 -3.749 1.00 71.21 H new ATOM 893 N ARG A 55 -6.426 9.822 -5.546 1.00 52.44 N ATOM 894 CA ARG A 55 -5.474 9.489 -6.599 1.00 12.50 C ATOM 895 C ARG A 55 -4.328 10.496 -6.634 1.00 64.21 C ATOM 896 O ARG A 55 -4.498 11.659 -6.264 1.00 21.14 O ATOM 897 CB ARG A 55 -6.176 9.453 -7.959 1.00 32.24 C ATOM 898 CG ARG A 55 -7.240 10.526 -8.123 1.00 72.41 C ATOM 899 CD ARG A 55 -6.631 11.919 -8.129 1.00 53.03 C ATOM 900 NE ARG A 55 -7.390 12.844 -8.966 1.00 15.55 N ATOM 901 CZ ARG A 55 -7.366 12.823 -10.295 1.00 65.53 C ATOM 902 NH1 ARG A 55 -6.625 11.927 -10.932 1.00 71.04 N ATOM 903 NH2 ARG A 55 -8.082 13.698 -10.986 1.00 54.54 N ATOM 0 H ARG A 55 -6.970 10.667 -5.721 1.00 52.44 H new ATOM 0 HA ARG A 55 -5.063 8.503 -6.383 1.00 12.50 H new ATOM 0 HB2 ARG A 55 -5.431 9.569 -8.746 1.00 32.24 H new ATOM 0 HB3 ARG A 55 -6.635 8.474 -8.096 1.00 32.24 H new ATOM 0 HG2 ARG A 55 -7.784 10.362 -9.053 1.00 72.41 H new ATOM 0 HG3 ARG A 55 -7.965 10.448 -7.312 1.00 72.41 H new ATOM 0 HD2 ARG A 55 -6.592 12.302 -7.109 1.00 53.03 H new ATOM 0 HD3 ARG A 55 -5.604 11.864 -8.489 1.00 53.03 H new ATOM 0 HE ARG A 55 -7.971 13.545 -8.506 1.00 15.55 H new ATOM 0 HH11 ARG A 55 -6.073 11.253 -10.402 1.00 71.04 H new ATOM 0 HH12 ARG A 55 -6.607 11.912 -11.952 1.00 71.04 H new ATOM 0 HH21 ARG A 55 -8.652 14.389 -10.498 1.00 54.54 H new ATOM 0 HH22 ARG A 55 -8.063 13.681 -12.006 1.00 54.54 H new ATOM 917 N LEU A 56 -3.162 10.042 -7.080 1.00 51.22 N ATOM 918 CA LEU A 56 -1.986 10.902 -7.162 1.00 23.44 C ATOM 919 C LEU A 56 -1.082 10.481 -8.316 1.00 25.50 C ATOM 920 O LEU A 56 -1.361 9.503 -9.009 1.00 23.12 O ATOM 921 CB LEU A 56 -1.207 10.862 -5.846 1.00 34.23 C ATOM 922 CG LEU A 56 -1.575 11.928 -4.814 1.00 52.32 C ATOM 923 CD1 LEU A 56 -2.747 11.464 -3.963 1.00 22.05 C ATOM 924 CD2 LEU A 56 -0.376 12.259 -3.938 1.00 54.31 C ATOM 0 H LEU A 56 -3.005 9.083 -7.391 1.00 51.22 H new ATOM 0 HA LEU A 56 -2.325 11.922 -7.345 1.00 23.44 H new ATOM 0 HB2 LEU A 56 -1.350 9.881 -5.392 1.00 34.23 H new ATOM 0 HB3 LEU A 56 -0.145 10.956 -6.073 1.00 34.23 H new ATOM 0 HG LEU A 56 -1.873 12.833 -5.344 1.00 52.32 H new ATOM 0 HD11 LEU A 56 -2.995 12.235 -3.234 1.00 22.05 H new ATOM 0 HD12 LEU A 56 -3.610 11.278 -4.602 1.00 22.05 H new ATOM 0 HD13 LEU A 56 -2.477 10.546 -3.442 1.00 22.05 H new ATOM 0 HD21 LEU A 56 -0.657 13.020 -3.209 1.00 54.31 H new ATOM 0 HD22 LEU A 56 -0.047 11.360 -3.416 1.00 54.31 H new ATOM 0 HD23 LEU A 56 0.436 12.635 -4.560 1.00 54.31 H new ATOM 936 N TRP A 57 0.002 11.222 -8.513 1.00 22.32 N ATOM 937 CA TRP A 57 0.948 10.923 -9.581 1.00 4.33 C ATOM 938 C TRP A 57 2.095 10.059 -9.066 1.00 13.41 C ATOM 939 O TRP A 57 2.917 10.512 -8.269 1.00 61.34 O ATOM 940 CB TRP A 57 1.499 12.219 -10.179 1.00 42.13 C ATOM 941 CG TRP A 57 0.557 12.874 -11.143 1.00 44.52 C ATOM 942 CD1 TRP A 57 0.721 12.998 -12.494 1.00 64.22 C ATOM 943 CD2 TRP A 57 -0.692 13.499 -10.830 1.00 13.42 C ATOM 944 NE1 TRP A 57 -0.352 13.661 -13.039 1.00 23.30 N ATOM 945 CE2 TRP A 57 -1.233 13.977 -12.039 1.00 11.43 C ATOM 946 CE3 TRP A 57 -1.408 13.696 -9.648 1.00 30.25 C ATOM 947 CZ2 TRP A 57 -2.455 14.643 -12.096 1.00 60.32 C ATOM 948 CZ3 TRP A 57 -2.621 14.358 -9.705 1.00 60.20 C ATOM 949 CH2 TRP A 57 -3.134 14.824 -10.922 1.00 52.31 C ATOM 0 H TRP A 57 0.248 12.034 -7.947 1.00 22.32 H new ATOM 0 HA TRP A 57 0.420 10.368 -10.356 1.00 4.33 H new ATOM 0 HB2 TRP A 57 1.725 12.916 -9.372 1.00 42.13 H new ATOM 0 HB3 TRP A 57 2.439 12.005 -10.688 1.00 42.13 H new ATOM 0 HD1 TRP A 57 1.569 12.629 -13.051 1.00 64.22 H new ATOM 0 HE1 TRP A 57 -0.473 13.882 -14.027 1.00 23.30 H new ATOM 0 HE3 TRP A 57 -1.021 13.338 -8.705 1.00 30.25 H new ATOM 0 HZ2 TRP A 57 -2.852 15.004 -13.033 1.00 60.32 H new ATOM 0 HZ3 TRP A 57 -3.182 14.518 -8.796 1.00 60.20 H new ATOM 0 HH2 TRP A 57 -4.085 15.336 -10.934 1.00 52.31 H new ATOM 960 N LEU A 58 2.143 8.814 -9.526 1.00 55.15 N ATOM 961 CA LEU A 58 3.190 7.886 -9.113 1.00 32.41 C ATOM 962 C LEU A 58 4.555 8.344 -9.615 1.00 1.42 C ATOM 963 O LEU A 58 4.748 8.558 -10.813 1.00 60.21 O ATOM 964 CB LEU A 58 2.888 6.480 -9.635 1.00 44.22 C ATOM 965 CG LEU A 58 2.638 5.409 -8.573 1.00 30.31 C ATOM 966 CD1 LEU A 58 2.478 4.042 -9.220 1.00 10.40 C ATOM 967 CD2 LEU A 58 3.770 5.390 -7.556 1.00 34.24 C ATOM 0 H LEU A 58 1.469 8.424 -10.185 1.00 55.15 H new ATOM 0 HA LEU A 58 3.213 7.866 -8.023 1.00 32.41 H new ATOM 0 HB2 LEU A 58 2.012 6.534 -10.281 1.00 44.22 H new ATOM 0 HB3 LEU A 58 3.723 6.158 -10.257 1.00 44.22 H new ATOM 0 HG LEU A 58 1.712 5.652 -8.052 1.00 30.31 H new ATOM 0 HD11 LEU A 58 2.301 3.293 -8.448 1.00 10.40 H new ATOM 0 HD12 LEU A 58 1.633 4.062 -9.908 1.00 10.40 H new ATOM 0 HD13 LEU A 58 3.386 3.790 -9.768 1.00 10.40 H new ATOM 0 HD21 LEU A 58 3.574 4.622 -6.808 1.00 34.24 H new ATOM 0 HD22 LEU A 58 4.710 5.173 -8.062 1.00 34.24 H new ATOM 0 HD23 LEU A 58 3.837 6.362 -7.068 1.00 34.24 H new ATOM 979 N LEU A 59 5.499 8.494 -8.692 1.00 53.33 N ATOM 980 CA LEU A 59 6.849 8.925 -9.042 1.00 14.45 C ATOM 981 C LEU A 59 7.795 7.733 -9.129 1.00 24.43 C ATOM 982 O LEU A 59 8.201 7.327 -10.218 1.00 4.33 O ATOM 983 CB LEU A 59 7.366 9.930 -8.012 1.00 70.21 C ATOM 984 CG LEU A 59 6.565 11.225 -7.875 1.00 33.54 C ATOM 985 CD1 LEU A 59 7.269 12.191 -6.934 1.00 53.24 C ATOM 986 CD2 LEU A 59 6.351 11.866 -9.238 1.00 35.40 C ATOM 0 H LEU A 59 5.355 8.324 -7.697 1.00 53.33 H new ATOM 0 HA LEU A 59 6.810 9.405 -10.020 1.00 14.45 H new ATOM 0 HB2 LEU A 59 7.395 9.440 -7.039 1.00 70.21 H new ATOM 0 HB3 LEU A 59 8.393 10.188 -8.270 1.00 70.21 H new ATOM 0 HG LEU A 59 5.590 10.984 -7.452 1.00 33.54 H new ATOM 0 HD11 LEU A 59 6.684 13.107 -6.849 1.00 53.24 H new ATOM 0 HD12 LEU A 59 7.370 11.732 -5.950 1.00 53.24 H new ATOM 0 HD13 LEU A 59 8.258 12.427 -7.328 1.00 53.24 H new ATOM 0 HD21 LEU A 59 5.779 12.787 -9.121 1.00 35.40 H new ATOM 0 HD22 LEU A 59 7.317 12.094 -9.689 1.00 35.40 H new ATOM 0 HD23 LEU A 59 5.803 11.178 -9.882 1.00 35.40 H new ATOM 998 N ASP A 60 8.145 7.177 -7.974 1.00 72.21 N ATOM 999 CA ASP A 60 9.042 6.029 -7.919 1.00 20.51 C ATOM 1000 C ASP A 60 8.518 4.975 -6.947 1.00 2.00 C ATOM 1001 O ASP A 60 8.474 5.200 -5.738 1.00 61.21 O ATOM 1002 CB ASP A 60 10.446 6.471 -7.503 1.00 34.31 C ATOM 1003 CG ASP A 60 11.394 6.571 -8.681 1.00 30.10 C ATOM 1004 OD1 ASP A 60 11.792 7.703 -9.029 1.00 61.12 O ATOM 1005 OD2 ASP A 60 11.738 5.517 -9.257 1.00 1.34 O ATOM 0 H ASP A 60 7.821 7.503 -7.063 1.00 72.21 H new ATOM 0 HA ASP A 60 9.088 5.588 -8.915 1.00 20.51 H new ATOM 0 HB2 ASP A 60 10.386 7.439 -7.005 1.00 34.31 H new ATOM 0 HB3 ASP A 60 10.846 5.763 -6.777 1.00 34.31 H new ATOM 1011 N ASP A 61 8.122 3.827 -7.485 1.00 62.40 N ATOM 1012 CA ASP A 61 7.601 2.739 -6.665 1.00 42.02 C ATOM 1013 C ASP A 61 8.440 1.478 -6.841 1.00 63.44 C ATOM 1014 O ASP A 61 8.092 0.592 -7.622 1.00 63.24 O ATOM 1015 CB ASP A 61 6.143 2.451 -7.028 1.00 14.01 C ATOM 1016 CG ASP A 61 5.859 2.669 -8.503 1.00 24.13 C ATOM 1017 OD1 ASP A 61 5.790 3.843 -8.925 1.00 42.43 O ATOM 1018 OD2 ASP A 61 5.706 1.668 -9.231 1.00 63.41 O ATOM 0 H ASP A 61 8.152 3.625 -8.484 1.00 62.40 H new ATOM 0 HA ASP A 61 7.653 3.046 -5.621 1.00 42.02 H new ATOM 0 HB2 ASP A 61 5.902 1.422 -6.763 1.00 14.01 H new ATOM 0 HB3 ASP A 61 5.491 3.093 -6.437 1.00 14.01 H new ATOM 1024 N SER A 62 9.548 1.403 -6.109 1.00 33.22 N ATOM 1025 CA SER A 62 10.439 0.251 -6.187 1.00 60.10 C ATOM 1026 C SER A 62 10.387 -0.565 -4.898 1.00 5.35 C ATOM 1027 O SER A 62 10.210 -1.782 -4.926 1.00 20.11 O ATOM 1028 CB SER A 62 11.873 0.709 -6.457 1.00 53.20 C ATOM 1029 OG SER A 62 12.206 0.561 -7.827 1.00 65.34 O ATOM 0 H SER A 62 9.850 2.126 -5.456 1.00 33.22 H new ATOM 0 HA SER A 62 10.105 -0.382 -7.010 1.00 60.10 H new ATOM 0 HB2 SER A 62 11.986 1.752 -6.163 1.00 53.20 H new ATOM 0 HB3 SER A 62 12.565 0.128 -5.847 1.00 53.20 H new ATOM 0 HG SER A 62 13.127 0.862 -7.974 1.00 65.34 H new ATOM 1035 N LYS A 63 10.545 0.116 -3.769 1.00 22.35 N ATOM 1036 CA LYS A 63 10.516 -0.542 -2.468 1.00 33.24 C ATOM 1037 C LYS A 63 9.087 -0.647 -1.943 1.00 30.24 C ATOM 1038 O LYS A 63 8.141 -0.196 -2.592 1.00 42.20 O ATOM 1039 CB LYS A 63 11.382 0.225 -1.465 1.00 63.15 C ATOM 1040 CG LYS A 63 11.072 1.711 -1.403 1.00 73.13 C ATOM 1041 CD LYS A 63 12.062 2.521 -2.223 1.00 32.44 C ATOM 1042 CE LYS A 63 12.776 3.557 -1.369 1.00 74.13 C ATOM 1043 NZ LYS A 63 13.595 4.488 -2.194 1.00 74.54 N ATOM 0 H LYS A 63 10.695 1.124 -3.728 1.00 22.35 H new ATOM 0 HA LYS A 63 10.916 -1.549 -2.590 1.00 33.24 H new ATOM 0 HB2 LYS A 63 11.245 -0.208 -0.474 1.00 63.15 H new ATOM 0 HB3 LYS A 63 12.431 0.092 -1.728 1.00 63.15 H new ATOM 0 HG2 LYS A 63 10.062 1.889 -1.771 1.00 73.13 H new ATOM 0 HG3 LYS A 63 11.097 2.046 -0.366 1.00 73.13 H new ATOM 0 HD2 LYS A 63 12.795 1.853 -2.675 1.00 32.44 H new ATOM 0 HD3 LYS A 63 11.539 3.019 -3.039 1.00 32.44 H new ATOM 0 HE2 LYS A 63 12.042 4.127 -0.800 1.00 74.13 H new ATOM 0 HE3 LYS A 63 13.417 3.052 -0.647 1.00 74.13 H new ATOM 0 HZ1 LYS A 63 14.065 5.178 -1.575 1.00 74.54 H new ATOM 0 HZ2 LYS A 63 14.313 3.948 -2.718 1.00 74.54 H new ATOM 0 HZ3 LYS A 63 12.980 4.989 -2.866 1.00 74.54 H new ATOM 1057 N THR A 64 8.936 -1.245 -0.765 1.00 40.42 N ATOM 1058 CA THR A 64 7.623 -1.410 -0.155 1.00 24.03 C ATOM 1059 C THR A 64 6.866 -0.086 -0.113 1.00 63.13 C ATOM 1060 O THR A 64 5.636 -0.064 -0.122 1.00 32.32 O ATOM 1061 CB THR A 64 7.736 -1.969 1.276 1.00 21.14 C ATOM 1062 OG1 THR A 64 6.508 -1.760 1.982 1.00 34.23 O ATOM 1063 CG2 THR A 64 8.878 -1.304 2.030 1.00 43.33 C ATOM 0 H THR A 64 9.707 -1.623 -0.215 1.00 40.42 H new ATOM 0 HA THR A 64 7.074 -2.120 -0.773 1.00 24.03 H new ATOM 0 HB THR A 64 7.940 -3.038 1.209 1.00 21.14 H new ATOM 0 HG1 THR A 64 5.850 -2.428 1.698 1.00 34.23 H new ATOM 0 HG21 THR A 64 8.937 -1.716 3.038 1.00 43.33 H new ATOM 0 HG22 THR A 64 9.816 -1.489 1.507 1.00 43.33 H new ATOM 0 HG23 THR A 64 8.700 -0.230 2.087 1.00 43.33 H new ATOM 1071 N TRP A 65 7.611 1.014 -0.067 1.00 73.23 N ATOM 1072 CA TRP A 65 7.008 2.341 -0.024 1.00 73.33 C ATOM 1073 C TRP A 65 7.086 3.018 -1.389 1.00 30.31 C ATOM 1074 O TRP A 65 8.114 2.957 -2.064 1.00 2.23 O ATOM 1075 CB TRP A 65 7.704 3.206 1.029 1.00 52.14 C ATOM 1076 CG TRP A 65 7.213 2.955 2.423 1.00 54.23 C ATOM 1077 CD1 TRP A 65 7.365 1.809 3.151 1.00 2.32 C ATOM 1078 CD2 TRP A 65 6.489 3.868 3.254 1.00 41.43 C ATOM 1079 NE1 TRP A 65 6.779 1.956 4.385 1.00 43.52 N ATOM 1080 CE2 TRP A 65 6.236 3.211 4.473 1.00 72.13 C ATOM 1081 CE3 TRP A 65 6.033 5.178 3.087 1.00 13.52 C ATOM 1082 CZ2 TRP A 65 5.545 3.820 5.518 1.00 55.24 C ATOM 1083 CZ3 TRP A 65 5.348 5.782 4.125 1.00 12.11 C ATOM 1084 CH2 TRP A 65 5.110 5.103 5.327 1.00 11.14 C ATOM 0 H TRP A 65 8.631 1.013 -0.059 1.00 73.23 H new ATOM 0 HA TRP A 65 5.958 2.228 0.246 1.00 73.33 H new ATOM 0 HB2 TRP A 65 8.777 3.020 0.990 1.00 52.14 H new ATOM 0 HB3 TRP A 65 7.554 4.257 0.782 1.00 52.14 H new ATOM 0 HD1 TRP A 65 7.871 0.919 2.807 1.00 2.32 H new ATOM 0 HE1 TRP A 65 6.752 1.246 5.117 1.00 43.52 H new ATOM 0 HE3 TRP A 65 6.212 5.709 2.164 1.00 13.52 H new ATOM 0 HZ2 TRP A 65 5.359 3.298 6.445 1.00 55.24 H new ATOM 0 HZ3 TRP A 65 4.990 6.794 4.007 1.00 12.11 H new ATOM 0 HH2 TRP A 65 4.572 5.603 6.119 1.00 11.14 H new ATOM 1095 N TRP A 66 5.995 3.661 -1.787 1.00 43.51 N ATOM 1096 CA TRP A 66 5.941 4.350 -3.072 1.00 63.01 C ATOM 1097 C TRP A 66 5.815 5.856 -2.877 1.00 5.34 C ATOM 1098 O TRP A 66 5.222 6.319 -1.902 1.00 23.03 O ATOM 1099 CB TRP A 66 4.766 3.832 -3.904 1.00 24.04 C ATOM 1100 CG TRP A 66 4.790 2.347 -4.103 1.00 71.13 C ATOM 1101 CD1 TRP A 66 5.854 1.512 -3.918 1.00 63.11 C ATOM 1102 CD2 TRP A 66 3.701 1.522 -4.530 1.00 11.35 C ATOM 1103 NE1 TRP A 66 5.493 0.217 -4.203 1.00 61.44 N ATOM 1104 CE2 TRP A 66 4.176 0.197 -4.580 1.00 21.11 C ATOM 1105 CE3 TRP A 66 2.369 1.773 -4.872 1.00 11.00 C ATOM 1106 CZ2 TRP A 66 3.366 -0.870 -4.960 1.00 71.22 C ATOM 1107 CZ3 TRP A 66 1.567 0.713 -5.249 1.00 50.55 C ATOM 1108 CH2 TRP A 66 2.066 -0.595 -5.290 1.00 64.31 C ATOM 0 H TRP A 66 5.136 3.720 -1.240 1.00 43.51 H new ATOM 0 HA TRP A 66 6.871 4.147 -3.603 1.00 63.01 H new ATOM 0 HB2 TRP A 66 3.833 4.111 -3.415 1.00 24.04 H new ATOM 0 HB3 TRP A 66 4.775 4.322 -4.877 1.00 24.04 H new ATOM 0 HD1 TRP A 66 6.836 1.824 -3.595 1.00 63.11 H new ATOM 0 HE1 TRP A 66 6.106 -0.596 -4.144 1.00 61.44 H new ATOM 0 HE3 TRP A 66 1.974 2.778 -4.842 1.00 11.00 H new ATOM 0 HZ2 TRP A 66 3.750 -1.879 -4.993 1.00 71.22 H new ATOM 0 HZ3 TRP A 66 0.537 0.896 -5.517 1.00 50.55 H new ATOM 0 HH2 TRP A 66 1.413 -1.402 -5.588 1.00 64.31 H new ATOM 1119 N ARG A 67 6.378 6.619 -3.810 1.00 24.43 N ATOM 1120 CA ARG A 67 6.330 8.074 -3.739 1.00 21.35 C ATOM 1121 C ARG A 67 5.434 8.642 -4.834 1.00 14.14 C ATOM 1122 O ARG A 67 5.631 8.367 -6.017 1.00 53.32 O ATOM 1123 CB ARG A 67 7.738 8.660 -3.862 1.00 21.10 C ATOM 1124 CG ARG A 67 7.754 10.154 -4.140 1.00 14.43 C ATOM 1125 CD ARG A 67 9.006 10.812 -3.580 1.00 33.33 C ATOM 1126 NE ARG A 67 8.687 11.848 -2.601 1.00 72.53 N ATOM 1127 CZ ARG A 67 9.573 12.727 -2.147 1.00 33.12 C ATOM 1128 NH1 ARG A 67 10.826 12.695 -2.581 1.00 33.31 N ATOM 1129 NH2 ARG A 67 9.207 13.640 -1.256 1.00 70.31 N ATOM 0 H ARG A 67 6.872 6.253 -4.623 1.00 24.43 H new ATOM 0 HA ARG A 67 5.912 8.351 -2.771 1.00 21.35 H new ATOM 0 HB2 ARG A 67 8.285 8.465 -2.940 1.00 21.10 H new ATOM 0 HB3 ARG A 67 8.268 8.144 -4.663 1.00 21.10 H new ATOM 0 HG2 ARG A 67 7.701 10.326 -5.215 1.00 14.43 H new ATOM 0 HG3 ARG A 67 6.871 10.617 -3.700 1.00 14.43 H new ATOM 0 HD2 ARG A 67 9.637 10.055 -3.114 1.00 33.33 H new ATOM 0 HD3 ARG A 67 9.582 11.249 -4.396 1.00 33.33 H new ATOM 0 HE ARG A 67 7.732 11.899 -2.247 1.00 72.53 H new ATOM 0 HH11 ARG A 67 11.111 11.994 -3.265 1.00 33.31 H new ATOM 0 HH12 ARG A 67 11.504 13.371 -2.231 1.00 33.31 H new ATOM 0 HH21 ARG A 67 8.245 13.667 -0.919 1.00 70.31 H new ATOM 0 HH22 ARG A 67 9.888 14.315 -0.908 1.00 70.31 H new ATOM 1143 N VAL A 68 4.447 9.437 -4.432 1.00 42.30 N ATOM 1144 CA VAL A 68 3.519 10.046 -5.379 1.00 70.41 C ATOM 1145 C VAL A 68 3.383 11.543 -5.130 1.00 41.42 C ATOM 1146 O VAL A 68 3.847 12.059 -4.113 1.00 41.21 O ATOM 1147 CB VAL A 68 2.125 9.393 -5.298 1.00 43.45 C ATOM 1148 CG1 VAL A 68 2.209 7.912 -5.639 1.00 51.43 C ATOM 1149 CG2 VAL A 68 1.522 9.597 -3.917 1.00 12.34 C ATOM 0 H VAL A 68 4.269 9.675 -3.456 1.00 42.30 H new ATOM 0 HA VAL A 68 3.931 9.883 -6.375 1.00 70.41 H new ATOM 0 HB VAL A 68 1.474 9.873 -6.028 1.00 43.45 H new ATOM 0 HG11 VAL A 68 1.216 7.467 -5.577 1.00 51.43 H new ATOM 0 HG12 VAL A 68 2.597 7.793 -6.651 1.00 51.43 H new ATOM 0 HG13 VAL A 68 2.874 7.414 -4.934 1.00 51.43 H new ATOM 0 HG21 VAL A 68 0.538 9.130 -3.877 1.00 12.34 H new ATOM 0 HG22 VAL A 68 2.170 9.144 -3.167 1.00 12.34 H new ATOM 0 HG23 VAL A 68 1.426 10.664 -3.716 1.00 12.34 H new ATOM 1159 N ARG A 69 2.741 12.237 -6.066 1.00 72.42 N ATOM 1160 CA ARG A 69 2.543 13.676 -5.948 1.00 62.42 C ATOM 1161 C ARG A 69 1.061 14.029 -6.025 1.00 13.25 C ATOM 1162 O ARG A 69 0.287 13.359 -6.708 1.00 74.24 O ATOM 1163 CB ARG A 69 3.311 14.409 -7.049 1.00 20.53 C ATOM 1164 CG ARG A 69 3.398 15.911 -6.834 1.00 72.10 C ATOM 1165 CD ARG A 69 3.793 16.635 -8.112 1.00 12.13 C ATOM 1166 NE ARG A 69 4.968 17.480 -7.922 1.00 64.25 N ATOM 1167 CZ ARG A 69 5.356 18.406 -8.792 1.00 53.03 C ATOM 1168 NH1 ARG A 69 4.665 18.606 -9.905 1.00 54.45 N ATOM 1169 NH2 ARG A 69 6.438 19.135 -8.548 1.00 4.01 N ATOM 0 H ARG A 69 2.350 11.825 -6.913 1.00 72.42 H new ATOM 0 HA ARG A 69 2.924 13.992 -4.977 1.00 62.42 H new ATOM 0 HB2 ARG A 69 4.320 14.000 -7.111 1.00 20.53 H new ATOM 0 HB3 ARG A 69 2.829 14.215 -8.007 1.00 20.53 H new ATOM 0 HG2 ARG A 69 2.436 16.286 -6.485 1.00 72.10 H new ATOM 0 HG3 ARG A 69 4.127 16.126 -6.053 1.00 72.10 H new ATOM 0 HD2 ARG A 69 3.995 15.904 -8.895 1.00 12.13 H new ATOM 0 HD3 ARG A 69 2.958 17.247 -8.455 1.00 12.13 H new ATOM 0 HE ARG A 69 5.522 17.353 -7.075 1.00 64.25 H new ATOM 0 HH11 ARG A 69 3.833 18.048 -10.096 1.00 54.45 H new ATOM 0 HH12 ARG A 69 4.966 19.318 -10.571 1.00 54.45 H new ATOM 0 HH21 ARG A 69 6.972 18.984 -7.692 1.00 4.01 H new ATOM 0 HH22 ARG A 69 6.735 19.846 -9.216 1.00 4.01 H new ATOM 1183 N ASN A 70 0.672 15.087 -5.320 1.00 31.40 N ATOM 1184 CA ASN A 70 -0.718 15.527 -5.307 1.00 22.24 C ATOM 1185 C ASN A 70 -0.914 16.735 -6.219 1.00 50.00 C ATOM 1186 O ASN A 70 0.027 17.196 -6.865 1.00 20.13 O ATOM 1187 CB ASN A 70 -1.151 15.876 -3.881 1.00 53.54 C ATOM 1188 CG ASN A 70 -0.029 16.493 -3.070 1.00 75.45 C ATOM 1189 OD1 ASN A 70 0.976 15.841 -2.787 1.00 44.31 O ATOM 1190 ND2 ASN A 70 -0.197 17.754 -2.691 1.00 43.02 N ATOM 0 H ASN A 70 1.300 15.655 -4.751 1.00 31.40 H new ATOM 0 HA ASN A 70 -1.336 14.709 -5.678 1.00 22.24 H new ATOM 0 HB2 ASN A 70 -1.991 16.569 -3.919 1.00 53.54 H new ATOM 0 HB3 ASN A 70 -1.504 14.974 -3.381 1.00 53.54 H new ATOM 0 HD21 ASN A 70 0.524 18.222 -2.142 1.00 43.02 H new ATOM 0 HD22 ASN A 70 -1.047 18.255 -2.949 1.00 43.02 H new ATOM 1197 N ALA A 71 -2.141 17.241 -6.266 1.00 54.44 N ATOM 1198 CA ALA A 71 -2.461 18.395 -7.097 1.00 41.21 C ATOM 1199 C ALA A 71 -1.734 19.643 -6.605 1.00 10.32 C ATOM 1200 O ALA A 71 -1.647 20.643 -7.317 1.00 11.11 O ATOM 1201 CB ALA A 71 -3.963 18.631 -7.119 1.00 53.33 C ATOM 0 H ALA A 71 -2.931 16.870 -5.738 1.00 54.44 H new ATOM 0 HA ALA A 71 -2.124 18.185 -8.112 1.00 41.21 H new ATOM 0 HB1 ALA A 71 -4.186 19.496 -7.744 1.00 53.33 H new ATOM 0 HB2 ALA A 71 -4.464 17.752 -7.524 1.00 53.33 H new ATOM 0 HB3 ALA A 71 -4.317 18.815 -6.105 1.00 53.33 H new ATOM 1207 N ALA A 72 -1.214 19.577 -5.383 1.00 52.23 N ATOM 1208 CA ALA A 72 -0.494 20.700 -4.798 1.00 72.33 C ATOM 1209 C ALA A 72 0.969 20.697 -5.224 1.00 63.41 C ATOM 1210 O ALA A 72 1.775 21.477 -4.718 1.00 13.32 O ATOM 1211 CB ALA A 72 -0.605 20.663 -3.281 1.00 23.40 C ATOM 0 H ALA A 72 -1.279 18.757 -4.780 1.00 52.23 H new ATOM 0 HA ALA A 72 -0.948 21.621 -5.163 1.00 72.33 H new ATOM 0 HB1 ALA A 72 -0.063 21.508 -2.856 1.00 23.40 H new ATOM 0 HB2 ALA A 72 -1.654 20.723 -2.991 1.00 23.40 H new ATOM 0 HB3 ALA A 72 -0.178 19.732 -2.908 1.00 23.40 H new ATOM 1217 N ASN A 73 1.307 19.813 -6.157 1.00 54.13 N ATOM 1218 CA ASN A 73 2.676 19.708 -6.650 1.00 41.15 C ATOM 1219 C ASN A 73 3.616 19.232 -5.548 1.00 71.43 C ATOM 1220 O ASN A 73 4.837 19.317 -5.680 1.00 63.01 O ATOM 1221 CB ASN A 73 3.150 21.057 -7.193 1.00 35.23 C ATOM 1222 CG ASN A 73 2.023 21.858 -7.815 1.00 33.41 C ATOM 1223 OD1 ASN A 73 1.273 21.352 -8.650 1.00 22.31 O ATOM 1224 ND2 ASN A 73 1.897 23.117 -7.408 1.00 73.05 N ATOM 0 H ASN A 73 0.652 19.159 -6.587 1.00 54.13 H new ATOM 0 HA ASN A 73 2.690 18.975 -7.456 1.00 41.15 H new ATOM 0 HB2 ASN A 73 3.599 21.634 -6.384 1.00 35.23 H new ATOM 0 HB3 ASN A 73 3.929 20.892 -7.937 1.00 35.23 H new ATOM 0 HD21 ASN A 73 1.156 23.705 -7.790 1.00 73.05 H new ATOM 0 HD22 ASN A 73 2.541 23.495 -6.714 1.00 73.05 H new ATOM 1231 N ARG A 74 3.040 18.729 -4.461 1.00 31.03 N ATOM 1232 CA ARG A 74 3.826 18.240 -3.335 1.00 31.00 C ATOM 1233 C ARG A 74 4.127 16.752 -3.488 1.00 13.13 C ATOM 1234 O ARG A 74 3.284 15.980 -3.947 1.00 12.31 O ATOM 1235 CB ARG A 74 3.083 18.489 -2.022 1.00 63.23 C ATOM 1236 CG ARG A 74 3.995 18.523 -0.804 1.00 34.11 C ATOM 1237 CD ARG A 74 4.791 19.817 -0.741 1.00 41.11 C ATOM 1238 NE ARG A 74 4.732 20.432 0.582 1.00 10.35 N ATOM 1239 CZ ARG A 74 5.408 21.526 0.915 1.00 14.23 C ATOM 1240 NH1 ARG A 74 6.189 22.123 0.025 1.00 65.40 N ATOM 1241 NH2 ARG A 74 5.302 22.026 2.138 1.00 0.02 N ATOM 0 H ARG A 74 2.031 18.649 -4.336 1.00 31.03 H new ATOM 0 HA ARG A 74 4.770 18.784 -3.319 1.00 31.00 H new ATOM 0 HB2 ARG A 74 2.547 19.436 -2.091 1.00 63.23 H new ATOM 0 HB3 ARG A 74 2.335 17.709 -1.884 1.00 63.23 H new ATOM 0 HG2 ARG A 74 3.398 18.417 0.102 1.00 34.11 H new ATOM 0 HG3 ARG A 74 4.679 17.675 -0.836 1.00 34.11 H new ATOM 0 HD2 ARG A 74 5.830 19.616 -1.001 1.00 41.11 H new ATOM 0 HD3 ARG A 74 4.406 20.516 -1.483 1.00 41.11 H new ATOM 0 HE ARG A 74 4.139 19.998 1.289 1.00 10.35 H new ATOM 0 HH11 ARG A 74 6.272 21.742 -0.918 1.00 65.40 H new ATOM 0 HH12 ARG A 74 6.707 22.963 0.283 1.00 65.40 H new ATOM 0 HH21 ARG A 74 4.701 21.571 2.825 1.00 0.02 H new ATOM 0 HH22 ARG A 74 5.822 22.866 2.392 1.00 0.02 H new ATOM 1255 N THR A 75 5.334 16.355 -3.100 1.00 65.13 N ATOM 1256 CA THR A 75 5.747 14.960 -3.195 1.00 64.43 C ATOM 1257 C THR A 75 6.090 14.393 -1.822 1.00 23.33 C ATOM 1258 O THR A 75 6.789 15.029 -1.033 1.00 13.45 O ATOM 1259 CB THR A 75 6.966 14.797 -4.124 1.00 25.35 C ATOM 1260 OG1 THR A 75 7.983 15.739 -3.767 1.00 63.32 O ATOM 1261 CG2 THR A 75 6.569 14.998 -5.577 1.00 54.22 C ATOM 0 H THR A 75 6.043 16.980 -2.717 1.00 65.13 H new ATOM 0 HA THR A 75 4.904 14.409 -3.613 1.00 64.43 H new ATOM 0 HB THR A 75 7.352 13.784 -4.006 1.00 25.35 H new ATOM 0 HG1 THR A 75 8.755 15.628 -4.361 1.00 63.32 H new ATOM 0 HG21 THR A 75 7.446 14.878 -6.214 1.00 54.22 H new ATOM 0 HG22 THR A 75 5.816 14.260 -5.854 1.00 54.22 H new ATOM 0 HG23 THR A 75 6.160 16.000 -5.707 1.00 54.22 H new ATOM 1269 N GLY A 76 5.594 13.192 -1.541 1.00 53.41 N ATOM 1270 CA GLY A 76 5.859 12.559 -0.263 1.00 43.02 C ATOM 1271 C GLY A 76 5.961 11.051 -0.372 1.00 54.12 C ATOM 1272 O GLY A 76 6.006 10.502 -1.474 1.00 14.23 O ATOM 0 H GLY A 76 5.013 12.646 -2.177 1.00 53.41 H new ATOM 0 HA2 GLY A 76 6.788 12.954 0.149 1.00 43.02 H new ATOM 0 HA3 GLY A 76 5.065 12.816 0.438 1.00 43.02 H new ATOM 1276 N TYR A 77 6.000 10.377 0.772 1.00 44.34 N ATOM 1277 CA TYR A 77 6.103 8.923 0.800 1.00 22.55 C ATOM 1278 C TYR A 77 4.860 8.303 1.431 1.00 2.23 C ATOM 1279 O TYR A 77 4.216 8.908 2.289 1.00 51.42 O ATOM 1280 CB TYR A 77 7.350 8.493 1.575 1.00 11.50 C ATOM 1281 CG TYR A 77 8.618 8.542 0.754 1.00 2.44 C ATOM 1282 CD1 TYR A 77 9.120 9.751 0.285 1.00 51.23 C ATOM 1283 CD2 TYR A 77 9.317 7.381 0.447 1.00 33.42 C ATOM 1284 CE1 TYR A 77 10.279 9.800 -0.465 1.00 55.44 C ATOM 1285 CE2 TYR A 77 10.477 7.422 -0.302 1.00 74.42 C ATOM 1286 CZ TYR A 77 10.953 8.632 -0.757 1.00 31.33 C ATOM 1287 OH TYR A 77 12.108 8.678 -1.503 1.00 5.31 O ATOM 0 H TYR A 77 5.962 10.815 1.693 1.00 44.34 H new ATOM 0 HA TYR A 77 6.183 8.569 -0.228 1.00 22.55 H new ATOM 0 HB2 TYR A 77 7.466 9.137 2.447 1.00 11.50 H new ATOM 0 HB3 TYR A 77 7.206 7.478 1.945 1.00 11.50 H new ATOM 0 HD1 TYR A 77 8.595 10.667 0.511 1.00 51.23 H new ATOM 0 HD2 TYR A 77 8.947 6.430 0.800 1.00 33.42 H new ATOM 0 HE1 TYR A 77 10.656 10.748 -0.821 1.00 55.44 H new ATOM 0 HE2 TYR A 77 11.008 6.510 -0.530 1.00 74.42 H new ATOM 0 HH TYR A 77 12.459 7.770 -1.618 1.00 5.31 H new ATOM 1297 N VAL A 78 4.528 7.090 1.001 1.00 44.43 N ATOM 1298 CA VAL A 78 3.364 6.384 1.523 1.00 42.20 C ATOM 1299 C VAL A 78 3.528 4.875 1.383 1.00 55.53 C ATOM 1300 O VAL A 78 4.148 4.378 0.442 1.00 71.40 O ATOM 1301 CB VAL A 78 2.074 6.820 0.803 1.00 41.42 C ATOM 1302 CG1 VAL A 78 1.625 8.187 1.294 1.00 53.24 C ATOM 1303 CG2 VAL A 78 2.282 6.826 -0.704 1.00 2.10 C ATOM 0 H VAL A 78 5.050 6.575 0.292 1.00 44.43 H new ATOM 0 HA VAL A 78 3.285 6.640 2.579 1.00 42.20 H new ATOM 0 HB VAL A 78 1.288 6.102 1.035 1.00 41.42 H new ATOM 0 HG11 VAL A 78 0.712 8.479 0.774 1.00 53.24 H new ATOM 0 HG12 VAL A 78 1.434 8.144 2.366 1.00 53.24 H new ATOM 0 HG13 VAL A 78 2.406 8.920 1.094 1.00 53.24 H new ATOM 0 HG21 VAL A 78 1.361 7.136 -1.197 1.00 2.10 H new ATOM 0 HG22 VAL A 78 3.082 7.522 -0.958 1.00 2.10 H new ATOM 0 HG23 VAL A 78 2.553 5.824 -1.038 1.00 2.10 H new ATOM 1313 N PRO A 79 2.957 4.126 2.339 1.00 4.21 N ATOM 1314 CA PRO A 79 3.025 2.662 2.343 1.00 73.22 C ATOM 1315 C PRO A 79 2.196 2.040 1.224 1.00 33.21 C ATOM 1316 O PRO A 79 0.993 2.280 1.123 1.00 72.41 O ATOM 1317 CB PRO A 79 2.448 2.284 3.710 1.00 3.00 C ATOM 1318 CG PRO A 79 1.562 3.424 4.074 1.00 2.35 C ATOM 1319 CD PRO A 79 2.202 4.652 3.488 1.00 71.41 C ATOM 0 HA PRO A 79 4.040 2.301 2.179 1.00 73.22 H new ATOM 0 HB2 PRO A 79 1.890 1.349 3.660 1.00 3.00 H new ATOM 0 HB3 PRO A 79 3.238 2.145 4.448 1.00 3.00 H new ATOM 0 HG2 PRO A 79 0.558 3.280 3.676 1.00 2.35 H new ATOM 0 HG3 PRO A 79 1.466 3.513 5.156 1.00 2.35 H new ATOM 0 HD2 PRO A 79 1.457 5.385 3.178 1.00 71.41 H new ATOM 0 HD3 PRO A 79 2.856 5.146 4.206 1.00 71.41 H new ATOM 1327 N SER A 80 2.846 1.240 0.386 1.00 21.12 N ATOM 1328 CA SER A 80 2.170 0.587 -0.728 1.00 12.31 C ATOM 1329 C SER A 80 1.020 -0.286 -0.229 1.00 4.32 C ATOM 1330 O SER A 80 0.119 -0.635 -0.988 1.00 13.15 O ATOM 1331 CB SER A 80 3.160 -0.263 -1.527 1.00 34.14 C ATOM 1332 OG SER A 80 3.533 -1.424 -0.805 1.00 43.41 O ATOM 0 H SER A 80 3.841 1.028 0.457 1.00 21.12 H new ATOM 0 HA SER A 80 1.761 1.362 -1.377 1.00 12.31 H new ATOM 0 HB2 SER A 80 2.712 -0.551 -2.478 1.00 34.14 H new ATOM 0 HB3 SER A 80 4.047 0.327 -1.758 1.00 34.14 H new ATOM 0 HG SER A 80 4.340 -1.238 -0.281 1.00 43.41 H new ATOM 1338 N ASN A 81 1.064 -0.633 1.053 1.00 60.51 N ATOM 1339 CA ASN A 81 0.028 -1.465 1.655 1.00 1.21 C ATOM 1340 C ASN A 81 -1.284 -0.695 1.778 1.00 72.31 C ATOM 1341 O ASN A 81 -2.365 -1.283 1.739 1.00 3.32 O ATOM 1342 CB ASN A 81 0.476 -1.955 3.033 1.00 62.44 C ATOM 1343 CG ASN A 81 1.342 -3.198 2.951 1.00 73.40 C ATOM 1344 OD1 ASN A 81 1.656 -3.678 1.862 1.00 75.42 O ATOM 1345 ND2 ASN A 81 1.732 -3.724 4.106 1.00 63.23 N ATOM 0 H ASN A 81 1.805 -0.351 1.695 1.00 60.51 H new ATOM 0 HA ASN A 81 -0.136 -2.326 1.006 1.00 1.21 H new ATOM 0 HB2 ASN A 81 1.030 -1.162 3.535 1.00 62.44 H new ATOM 0 HB3 ASN A 81 -0.402 -2.167 3.644 1.00 62.44 H new ATOM 0 HD21 ASN A 81 2.316 -4.560 4.114 1.00 63.23 H new ATOM 0 HD22 ASN A 81 1.447 -3.292 4.985 1.00 63.23 H new ATOM 1352 N TYR A 82 -1.179 0.620 1.924 1.00 35.54 N ATOM 1353 CA TYR A 82 -2.358 1.469 2.055 1.00 3.23 C ATOM 1354 C TYR A 82 -2.728 2.097 0.714 1.00 1.13 C ATOM 1355 O TYR A 82 -3.659 2.897 0.626 1.00 32.14 O ATOM 1356 CB TYR A 82 -2.108 2.567 3.092 1.00 74.10 C ATOM 1357 CG TYR A 82 -1.934 2.043 4.499 1.00 55.43 C ATOM 1358 CD1 TYR A 82 -0.795 1.331 4.860 1.00 0.23 C ATOM 1359 CD2 TYR A 82 -2.907 2.256 5.468 1.00 10.41 C ATOM 1360 CE1 TYR A 82 -0.633 0.850 6.145 1.00 65.32 C ATOM 1361 CE2 TYR A 82 -2.752 1.779 6.754 1.00 73.31 C ATOM 1362 CZ TYR A 82 -1.614 1.075 7.088 1.00 23.23 C ATOM 1363 OH TYR A 82 -1.456 0.597 8.368 1.00 3.24 O ATOM 0 H TYR A 82 -0.291 1.122 1.955 1.00 35.54 H new ATOM 0 HA TYR A 82 -3.189 0.846 2.387 1.00 3.23 H new ATOM 0 HB2 TYR A 82 -1.216 3.126 2.809 1.00 74.10 H new ATOM 0 HB3 TYR A 82 -2.943 3.268 3.075 1.00 74.10 H new ATOM 0 HD1 TYR A 82 -0.025 1.151 4.124 1.00 0.23 H new ATOM 0 HD2 TYR A 82 -3.801 2.805 5.210 1.00 10.41 H new ATOM 0 HE1 TYR A 82 0.258 0.300 6.410 1.00 65.32 H new ATOM 0 HE2 TYR A 82 -3.518 1.956 7.495 1.00 73.31 H new ATOM 0 HH TYR A 82 -1.156 -0.335 8.334 1.00 3.24 H new ATOM 1373 N VAL A 83 -1.993 1.726 -0.328 1.00 51.15 N ATOM 1374 CA VAL A 83 -2.243 2.249 -1.665 1.00 21.11 C ATOM 1375 C VAL A 83 -2.395 1.118 -2.678 1.00 15.22 C ATOM 1376 O VAL A 83 -1.927 0.003 -2.453 1.00 14.44 O ATOM 1377 CB VAL A 83 -1.109 3.185 -2.125 1.00 60.44 C ATOM 1378 CG1 VAL A 83 -0.047 2.404 -2.884 1.00 20.12 C ATOM 1379 CG2 VAL A 83 -1.665 4.314 -2.979 1.00 2.12 C ATOM 0 H VAL A 83 -1.219 1.064 -0.272 1.00 51.15 H new ATOM 0 HA VAL A 83 -3.173 2.816 -1.613 1.00 21.11 H new ATOM 0 HB VAL A 83 -0.642 3.623 -1.243 1.00 60.44 H new ATOM 0 HG11 VAL A 83 0.746 3.082 -3.201 1.00 20.12 H new ATOM 0 HG12 VAL A 83 0.371 1.634 -2.236 1.00 20.12 H new ATOM 0 HG13 VAL A 83 -0.496 1.936 -3.760 1.00 20.12 H new ATOM 0 HG21 VAL A 83 -0.851 4.966 -3.295 1.00 2.12 H new ATOM 0 HG22 VAL A 83 -2.158 3.897 -3.857 1.00 2.12 H new ATOM 0 HG23 VAL A 83 -2.385 4.889 -2.397 1.00 2.12 H new ATOM 1389 N GLU A 84 -3.055 1.416 -3.794 1.00 3.00 N ATOM 1390 CA GLU A 84 -3.268 0.425 -4.841 1.00 73.33 C ATOM 1391 C GLU A 84 -3.606 1.098 -6.168 1.00 1.21 C ATOM 1392 O GLU A 84 -4.612 1.797 -6.283 1.00 50.01 O ATOM 1393 CB GLU A 84 -4.393 -0.535 -4.444 1.00 25.22 C ATOM 1394 CG GLU A 84 -4.286 -1.903 -5.097 1.00 5.42 C ATOM 1395 CD GLU A 84 -5.492 -2.778 -4.818 1.00 0.02 C ATOM 1396 OE1 GLU A 84 -6.618 -2.362 -5.162 1.00 74.43 O ATOM 1397 OE2 GLU A 84 -5.309 -3.879 -4.257 1.00 30.21 O ATOM 0 H GLU A 84 -3.450 2.335 -3.995 1.00 3.00 H new ATOM 0 HA GLU A 84 -2.343 -0.139 -4.964 1.00 73.33 H new ATOM 0 HB2 GLU A 84 -4.389 -0.658 -3.361 1.00 25.22 H new ATOM 0 HB3 GLU A 84 -5.351 -0.089 -4.711 1.00 25.22 H new ATOM 0 HG2 GLU A 84 -4.173 -1.780 -6.174 1.00 5.42 H new ATOM 0 HG3 GLU A 84 -3.387 -2.404 -4.737 1.00 5.42 H new ATOM 1404 N ARG A 85 -2.757 0.881 -7.168 1.00 1.14 N ATOM 1405 CA ARG A 85 -2.963 1.469 -8.485 1.00 53.41 C ATOM 1406 C ARG A 85 -4.320 1.064 -9.055 1.00 43.44 C ATOM 1407 O ARG A 85 -4.606 -0.123 -9.223 1.00 43.41 O ATOM 1408 CB ARG A 85 -1.847 1.037 -9.440 1.00 21.33 C ATOM 1409 CG ARG A 85 -0.593 1.890 -9.338 1.00 33.45 C ATOM 1410 CD ARG A 85 0.367 1.345 -8.294 1.00 21.24 C ATOM 1411 NE ARG A 85 0.873 0.023 -8.652 1.00 74.13 N ATOM 1412 CZ ARG A 85 1.718 -0.196 -9.654 1.00 22.53 C ATOM 1413 NH1 ARG A 85 2.151 0.816 -10.391 1.00 41.51 N ATOM 1414 NH2 ARG A 85 2.132 -1.428 -9.917 1.00 55.20 N ATOM 0 H ARG A 85 -1.921 0.302 -7.090 1.00 1.14 H new ATOM 0 HA ARG A 85 -2.942 2.554 -8.379 1.00 53.41 H new ATOM 0 HB2 ARG A 85 -1.587 -0.002 -9.235 1.00 21.33 H new ATOM 0 HB3 ARG A 85 -2.221 1.076 -10.463 1.00 21.33 H new ATOM 0 HG2 ARG A 85 -0.096 1.926 -10.307 1.00 33.45 H new ATOM 0 HG3 ARG A 85 -0.868 2.913 -9.083 1.00 33.45 H new ATOM 0 HD2 ARG A 85 1.204 2.034 -8.177 1.00 21.24 H new ATOM 0 HD3 ARG A 85 -0.139 1.291 -7.330 1.00 21.24 H new ATOM 0 HE ARG A 85 0.560 -0.777 -8.102 1.00 74.13 H new ATOM 0 HH11 ARG A 85 1.836 1.765 -10.190 1.00 41.51 H new ATOM 0 HH12 ARG A 85 2.800 0.646 -11.160 1.00 41.51 H new ATOM 0 HH21 ARG A 85 1.802 -2.209 -9.350 1.00 55.20 H new ATOM 0 HH22 ARG A 85 2.781 -1.595 -10.686 1.00 55.20 H new ATOM 1428 N LYS A 86 -5.151 2.056 -9.350 1.00 13.12 N ATOM 1429 CA LYS A 86 -6.478 1.805 -9.901 1.00 1.13 C ATOM 1430 C LYS A 86 -7.342 1.030 -8.911 1.00 64.03 C ATOM 1431 O LYS A 86 -8.230 0.275 -9.305 1.00 10.13 O ATOM 1432 CB LYS A 86 -6.368 1.029 -11.215 1.00 14.35 C ATOM 1433 CG LYS A 86 -5.306 1.572 -12.156 1.00 73.12 C ATOM 1434 CD LYS A 86 -5.835 1.709 -13.574 1.00 43.35 C ATOM 1435 CE LYS A 86 -4.746 1.445 -14.602 1.00 62.34 C ATOM 1436 NZ LYS A 86 -4.201 2.709 -15.170 1.00 10.14 N ATOM 0 H LYS A 86 -4.930 3.043 -9.217 1.00 13.12 H new ATOM 0 HA LYS A 86 -6.952 2.768 -10.093 1.00 1.13 H new ATOM 0 HB2 LYS A 86 -6.145 -0.015 -10.993 1.00 14.35 H new ATOM 0 HB3 LYS A 86 -7.333 1.048 -11.721 1.00 14.35 H new ATOM 0 HG2 LYS A 86 -4.964 2.543 -11.799 1.00 73.12 H new ATOM 0 HG3 LYS A 86 -4.441 0.909 -12.152 1.00 73.12 H new ATOM 0 HD2 LYS A 86 -6.658 1.010 -13.726 1.00 43.35 H new ATOM 0 HD3 LYS A 86 -6.238 2.712 -13.718 1.00 43.35 H new ATOM 0 HE2 LYS A 86 -3.939 0.878 -14.138 1.00 62.34 H new ATOM 0 HE3 LYS A 86 -5.148 0.829 -15.406 1.00 62.34 H new ATOM 0 HZ1 LYS A 86 -3.461 2.486 -15.866 1.00 10.14 H new ATOM 0 HZ2 LYS A 86 -4.966 3.239 -15.635 1.00 10.14 H new ATOM 0 HZ3 LYS A 86 -3.795 3.286 -14.406 1.00 10.14 H new