USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 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 14 TYR OH : rot 30:sc= -0.449 USER MOD Set 1.2: A 43 GLN : amide:sc= -1.78 K(o=-7.8,f=-6.8) USER MOD Set 1.3: A 44 GLN : amide:sc= -5.52 K(o=-7.8,f=-6.8!) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 TYR OH : rot -54:sc= 1.3 USER MOD Single : A 11 ASN : amide:sc= -3.12! C(o=-3.1!,f=-2.9!) USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= 0.689 (180deg=-0.246) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0996 (180deg=-0.591) USER MOD Single : A 53 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.66) 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 60:sc= -1.95 USER MOD Single : A 70 ASN : amide:sc= -5.97! C(o=-6!,f=-10!) USER MOD Single : A 73 ASN : amide:sc= -0.645 X(o=-0.65,f=-0.97) USER MOD Single : A 75 THR OG1 : rot 42:sc= 0.0231 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 80 SER OG : rot -99:sc= 1.32 USER MOD Single : A 81 ASN : amide:sc= -0.414 K(o=-0.41,f=-2.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ARG A 5 -8.722 -3.432 12.858 1.00 44.11 N ATOM 74 CA ARG A 5 -7.973 -2.565 11.954 1.00 63.22 C ATOM 75 C ARG A 5 -6.867 -3.344 11.248 1.00 22.33 C ATOM 76 O ARG A 5 -6.450 -4.416 11.688 1.00 54.31 O ATOM 77 CB ARG A 5 -7.371 -1.389 12.726 1.00 45.21 C ATOM 78 CG ARG A 5 -8.203 -0.119 12.648 1.00 63.02 C ATOM 79 CD ARG A 5 -7.409 1.095 13.103 1.00 14.02 C ATOM 80 NE ARG A 5 -8.047 1.775 14.227 1.00 21.03 N ATOM 81 CZ ARG A 5 -7.709 2.993 14.638 1.00 55.42 C ATOM 82 NH1 ARG A 5 -6.746 3.661 14.018 1.00 64.34 N ATOM 83 NH2 ARG A 5 -8.336 3.545 15.667 1.00 51.11 N ATOM 0 HA ARG A 5 -8.662 -2.182 11.201 1.00 63.22 H new ATOM 0 HB2 ARG A 5 -7.255 -1.673 13.772 1.00 45.21 H new ATOM 0 HB3 ARG A 5 -6.373 -1.184 12.339 1.00 45.21 H new ATOM 0 HG2 ARG A 5 -8.545 0.031 11.624 1.00 63.02 H new ATOM 0 HG3 ARG A 5 -9.093 -0.227 13.268 1.00 63.02 H new ATOM 0 HD2 ARG A 5 -6.404 0.785 13.390 1.00 14.02 H new ATOM 0 HD3 ARG A 5 -7.302 1.791 12.271 1.00 14.02 H new ATOM 0 HE ARG A 5 -8.793 1.288 14.724 1.00 21.03 H new ATOM 0 HH11 ARG A 5 -6.263 3.240 13.224 1.00 64.34 H new ATOM 0 HH12 ARG A 5 -6.488 4.596 14.335 1.00 64.34 H new ATOM 0 HH21 ARG A 5 -9.079 3.035 16.145 1.00 51.11 H new ATOM 0 HH22 ARG A 5 -8.075 4.480 15.981 1.00 51.11 H new ATOM 97 N PRO A 6 -6.381 -2.794 10.125 1.00 13.11 N ATOM 98 CA PRO A 6 -5.317 -3.421 9.333 1.00 13.32 C ATOM 99 C PRO A 6 -3.971 -3.393 10.047 1.00 32.25 C ATOM 100 O PRO A 6 -3.786 -2.703 11.050 1.00 35.52 O ATOM 101 CB PRO A 6 -5.269 -2.563 8.066 1.00 71.31 C ATOM 102 CG PRO A 6 -5.801 -1.236 8.484 1.00 61.54 C ATOM 103 CD PRO A 6 -6.831 -1.518 9.543 1.00 54.12 C ATOM 0 HA PRO A 6 -5.516 -4.476 9.143 1.00 13.32 H new ATOM 0 HB2 PRO A 6 -4.252 -2.479 7.684 1.00 71.31 H new ATOM 0 HB3 PRO A 6 -5.873 -2.999 7.270 1.00 71.31 H new ATOM 0 HG2 PRO A 6 -5.005 -0.601 8.873 1.00 61.54 H new ATOM 0 HG3 PRO A 6 -6.244 -0.709 7.639 1.00 61.54 H new ATOM 0 HD2 PRO A 6 -6.866 -0.726 10.291 1.00 54.12 H new ATOM 0 HD3 PRO A 6 -7.832 -1.601 9.119 1.00 54.12 H new ATOM 111 N PRO A 7 -3.005 -4.159 9.519 1.00 32.10 N ATOM 112 CA PRO A 7 -1.657 -4.239 10.089 1.00 53.02 C ATOM 113 C PRO A 7 -0.870 -2.946 9.901 1.00 40.44 C ATOM 114 O PRO A 7 -1.266 -2.055 9.150 1.00 13.40 O ATOM 115 CB PRO A 7 -1.007 -5.381 9.305 1.00 42.01 C ATOM 116 CG PRO A 7 -1.742 -5.418 8.010 1.00 21.12 C ATOM 117 CD PRO A 7 -3.154 -5.007 8.324 1.00 32.04 C ATOM 0 HA PRO A 7 -1.679 -4.403 11.166 1.00 53.02 H new ATOM 0 HB2 PRO A 7 0.057 -5.200 9.151 1.00 42.01 H new ATOM 0 HB3 PRO A 7 -1.096 -6.328 9.838 1.00 42.01 H new ATOM 0 HG2 PRO A 7 -1.290 -4.741 7.285 1.00 21.12 H new ATOM 0 HG3 PRO A 7 -1.714 -6.416 7.574 1.00 21.12 H new ATOM 0 HD2 PRO A 7 -3.607 -4.460 7.497 1.00 32.04 H new ATOM 0 HD3 PRO A 7 -3.790 -5.870 8.521 1.00 32.04 H new ATOM 125 N PRO A 8 0.272 -2.841 10.596 1.00 53.11 N ATOM 126 CA PRO A 8 1.139 -1.660 10.520 1.00 63.03 C ATOM 127 C PRO A 8 1.836 -1.540 9.168 1.00 24.33 C ATOM 128 O PRO A 8 1.739 -2.432 8.327 1.00 54.41 O ATOM 129 CB PRO A 8 2.164 -1.902 11.630 1.00 32.35 C ATOM 130 CG PRO A 8 2.199 -3.381 11.799 1.00 65.12 C ATOM 131 CD PRO A 8 0.805 -3.865 11.510 1.00 41.00 C ATOM 0 HA PRO A 8 0.577 -0.733 10.634 1.00 63.03 H new ATOM 0 HB2 PRO A 8 3.144 -1.512 11.355 1.00 32.35 H new ATOM 0 HB3 PRO A 8 1.871 -1.405 12.555 1.00 32.35 H new ATOM 0 HG2 PRO A 8 2.919 -3.835 11.117 1.00 65.12 H new ATOM 0 HG3 PRO A 8 2.504 -3.651 12.810 1.00 65.12 H new ATOM 0 HD2 PRO A 8 0.810 -4.852 11.048 1.00 41.00 H new ATOM 0 HD3 PRO A 8 0.209 -3.941 12.420 1.00 41.00 H new ATOM 139 N VAL A 9 2.539 -0.429 8.969 1.00 13.02 N ATOM 140 CA VAL A 9 3.254 -0.192 7.720 1.00 34.32 C ATOM 141 C VAL A 9 4.192 -1.348 7.396 1.00 64.34 C ATOM 142 O VAL A 9 4.769 -1.980 8.283 1.00 44.35 O ATOM 143 CB VAL A 9 4.068 1.115 7.778 1.00 75.21 C ATOM 144 CG1 VAL A 9 3.159 2.318 7.584 1.00 51.41 C ATOM 145 CG2 VAL A 9 4.821 1.213 9.095 1.00 1.33 C ATOM 0 H VAL A 9 2.629 0.320 9.656 1.00 13.02 H new ATOM 0 HA VAL A 9 2.502 -0.108 6.936 1.00 34.32 H new ATOM 0 HB VAL A 9 4.797 1.106 6.968 1.00 75.21 H new ATOM 0 HG11 VAL A 9 3.751 3.232 7.628 1.00 51.41 H new ATOM 0 HG12 VAL A 9 2.668 2.250 6.613 1.00 51.41 H new ATOM 0 HG13 VAL A 9 2.406 2.335 8.371 1.00 51.41 H new ATOM 0 HG21 VAL A 9 5.391 2.142 9.120 1.00 1.33 H new ATOM 0 HG22 VAL A 9 4.111 1.201 9.922 1.00 1.33 H new ATOM 0 HG23 VAL A 9 5.502 0.367 9.189 1.00 1.33 H new ATOM 155 N PRO A 10 4.354 -1.634 6.095 1.00 31.24 N ATOM 156 CA PRO A 10 5.223 -2.717 5.624 1.00 3.55 C ATOM 157 C PRO A 10 6.701 -2.407 5.839 1.00 35.21 C ATOM 158 O PRO A 10 7.431 -2.132 4.888 1.00 3.42 O ATOM 159 CB PRO A 10 4.907 -2.799 4.129 1.00 70.23 C ATOM 160 CG PRO A 10 4.416 -1.439 3.769 1.00 0.20 C ATOM 161 CD PRO A 10 3.698 -0.923 4.985 1.00 2.31 C ATOM 0 HA PRO A 10 5.045 -3.647 6.163 1.00 3.55 H new ATOM 0 HB2 PRO A 10 5.792 -3.066 3.552 1.00 70.23 H new ATOM 0 HB3 PRO A 10 4.153 -3.559 3.925 1.00 70.23 H new ATOM 0 HG2 PRO A 10 5.244 -0.784 3.498 1.00 0.20 H new ATOM 0 HG3 PRO A 10 3.747 -1.480 2.909 1.00 0.20 H new ATOM 0 HD2 PRO A 10 3.800 0.158 5.084 1.00 2.31 H new ATOM 0 HD3 PRO A 10 2.631 -1.140 4.944 1.00 2.31 H new ATOM 169 N ASN A 11 7.133 -2.455 7.094 1.00 64.04 N ATOM 170 CA ASN A 11 8.527 -2.180 7.434 1.00 33.13 C ATOM 171 C ASN A 11 9.079 -1.043 6.579 1.00 23.02 C ATOM 172 O ASN A 11 9.716 -1.260 5.550 1.00 53.14 O ATOM 173 CB ASN A 11 9.377 -3.437 7.244 1.00 0.30 C ATOM 174 CG ASN A 11 9.183 -4.064 5.876 1.00 25.41 C ATOM 175 OD1 ASN A 11 9.921 -3.769 4.935 1.00 0.11 O ATOM 176 ND2 ASN A 11 8.189 -4.937 5.762 1.00 13.21 N ATOM 0 H ASN A 11 6.540 -2.681 7.893 1.00 64.04 H new ATOM 0 HA ASN A 11 8.569 -1.878 8.480 1.00 33.13 H new ATOM 0 HB2 ASN A 11 10.429 -3.185 7.380 1.00 0.30 H new ATOM 0 HB3 ASN A 11 9.122 -4.165 8.014 1.00 0.30 H new ATOM 0 HD21 ASN A 11 8.012 -5.394 4.867 1.00 13.21 H new ATOM 0 HD22 ASN A 11 7.603 -5.151 6.569 1.00 13.21 H new ATOM 183 N PRO A 12 8.831 0.201 7.018 1.00 25.11 N ATOM 184 CA PRO A 12 9.297 1.396 6.309 1.00 24.03 C ATOM 185 C PRO A 12 10.811 1.564 6.388 1.00 31.23 C ATOM 186 O PRO A 12 11.410 1.381 7.448 1.00 44.03 O ATOM 187 CB PRO A 12 8.593 2.541 7.043 1.00 64.41 C ATOM 188 CG PRO A 12 8.328 2.008 8.409 1.00 72.52 C ATOM 189 CD PRO A 12 8.078 0.534 8.238 1.00 43.21 C ATOM 0 HA PRO A 12 9.071 1.351 5.244 1.00 24.03 H new ATOM 0 HB2 PRO A 12 9.220 3.432 7.080 1.00 64.41 H new ATOM 0 HB3 PRO A 12 7.667 2.823 6.541 1.00 64.41 H new ATOM 0 HG2 PRO A 12 9.177 2.186 9.069 1.00 72.52 H new ATOM 0 HG3 PRO A 12 7.466 2.500 8.859 1.00 72.52 H new ATOM 0 HD2 PRO A 12 8.432 -0.036 9.097 1.00 43.21 H new ATOM 0 HD3 PRO A 12 7.016 0.317 8.127 1.00 43.21 H new ATOM 197 N ASP A 13 11.422 1.915 5.262 1.00 62.54 N ATOM 198 CA ASP A 13 12.866 2.110 5.204 1.00 61.52 C ATOM 199 C ASP A 13 13.209 3.453 4.570 1.00 1.33 C ATOM 200 O ASP A 13 14.161 3.562 3.797 1.00 24.51 O ATOM 201 CB ASP A 13 13.524 0.977 4.415 1.00 63.44 C ATOM 202 CG ASP A 13 15.025 0.924 4.619 1.00 31.42 C ATOM 203 OD1 ASP A 13 15.756 0.768 3.616 1.00 20.53 O ATOM 204 OD2 ASP A 13 15.471 1.040 5.780 1.00 60.35 O ATOM 0 H ASP A 13 10.940 2.070 4.377 1.00 62.54 H new ATOM 0 HA ASP A 13 13.249 2.102 6.224 1.00 61.52 H new ATOM 0 HB2 ASP A 13 13.086 0.026 4.717 1.00 63.44 H new ATOM 0 HB3 ASP A 13 13.309 1.105 3.354 1.00 63.44 H new ATOM 210 N TYR A 14 12.426 4.474 4.902 1.00 40.54 N ATOM 211 CA TYR A 14 12.645 5.810 4.361 1.00 30.33 C ATOM 212 C TYR A 14 13.848 6.477 5.023 1.00 74.23 C ATOM 213 O TYR A 14 14.404 7.440 4.498 1.00 24.21 O ATOM 214 CB TYR A 14 11.397 6.674 4.561 1.00 3.30 C ATOM 215 CG TYR A 14 10.871 6.659 5.979 1.00 20.12 C ATOM 216 CD1 TYR A 14 11.606 7.214 7.020 1.00 54.23 C ATOM 217 CD2 TYR A 14 9.639 6.091 6.276 1.00 32.25 C ATOM 218 CE1 TYR A 14 11.129 7.202 8.315 1.00 24.44 C ATOM 219 CE2 TYR A 14 9.153 6.077 7.570 1.00 60.33 C ATOM 220 CZ TYR A 14 9.902 6.632 8.586 1.00 34.13 C ATOM 221 OH TYR A 14 9.423 6.620 9.876 1.00 62.22 O ATOM 0 H TYR A 14 11.635 4.402 5.542 1.00 40.54 H new ATOM 0 HA TYR A 14 12.847 5.713 3.294 1.00 30.33 H new ATOM 0 HB2 TYR A 14 11.627 7.701 4.279 1.00 3.30 H new ATOM 0 HB3 TYR A 14 10.613 6.327 3.888 1.00 3.30 H new ATOM 0 HD1 TYR A 14 12.566 7.662 6.812 1.00 54.23 H new ATOM 0 HD2 TYR A 14 9.051 5.653 5.483 1.00 32.25 H new ATOM 0 HE1 TYR A 14 11.713 7.637 9.112 1.00 24.44 H new ATOM 0 HE2 TYR A 14 8.192 5.634 7.784 1.00 60.33 H new ATOM 0 HH TYR A 14 9.765 7.401 10.359 1.00 62.22 H new ATOM 491 N GLU A 31 4.086 8.599 -16.596 1.00 2.34 N ATOM 492 CA GLU A 31 2.782 9.163 -16.270 1.00 54.51 C ATOM 493 C GLU A 31 1.881 8.116 -15.623 1.00 65.45 C ATOM 494 O GLU A 31 0.933 7.630 -16.237 1.00 53.30 O ATOM 495 CB GLU A 31 2.112 9.717 -17.531 1.00 24.24 C ATOM 496 CG GLU A 31 3.041 10.553 -18.396 1.00 12.34 C ATOM 497 CD GLU A 31 3.890 9.708 -19.325 1.00 43.34 C ATOM 498 OE1 GLU A 31 3.318 8.884 -20.070 1.00 14.35 O ATOM 499 OE2 GLU A 31 5.129 9.870 -19.307 1.00 73.21 O ATOM 0 HA GLU A 31 2.934 9.975 -15.559 1.00 54.51 H new ATOM 0 HB2 GLU A 31 1.727 8.886 -18.123 1.00 24.24 H new ATOM 0 HB3 GLU A 31 1.255 10.325 -17.240 1.00 24.24 H new ATOM 0 HG2 GLU A 31 2.450 11.253 -18.986 1.00 12.34 H new ATOM 0 HG3 GLU A 31 3.692 11.147 -17.755 1.00 12.34 H new ATOM 506 N VAL A 32 2.188 7.773 -14.375 1.00 13.21 N ATOM 507 CA VAL A 32 1.406 6.783 -13.642 1.00 3.53 C ATOM 508 C VAL A 32 0.635 7.430 -12.497 1.00 12.02 C ATOM 509 O VAL A 32 1.015 8.492 -12.001 1.00 13.24 O ATOM 510 CB VAL A 32 2.306 5.668 -13.074 1.00 75.32 C ATOM 511 CG1 VAL A 32 1.462 4.499 -12.589 1.00 62.34 C ATOM 512 CG2 VAL A 32 3.313 5.213 -14.119 1.00 55.31 C ATOM 0 H VAL A 32 2.971 8.165 -13.852 1.00 13.21 H new ATOM 0 HA VAL A 32 0.701 6.347 -14.350 1.00 3.53 H new ATOM 0 HB VAL A 32 2.857 6.066 -12.222 1.00 75.32 H new ATOM 0 HG11 VAL A 32 2.113 3.721 -12.191 1.00 62.34 H new ATOM 0 HG12 VAL A 32 0.784 4.840 -11.807 1.00 62.34 H new ATOM 0 HG13 VAL A 32 0.884 4.098 -13.421 1.00 62.34 H new ATOM 0 HG21 VAL A 32 3.940 4.426 -13.701 1.00 55.31 H new ATOM 0 HG22 VAL A 32 2.784 4.831 -14.992 1.00 55.31 H new ATOM 0 HG23 VAL A 32 3.938 6.056 -14.414 1.00 55.31 H new ATOM 522 N ILE A 33 -0.449 6.784 -12.081 1.00 73.05 N ATOM 523 CA ILE A 33 -1.273 7.296 -10.994 1.00 23.31 C ATOM 524 C ILE A 33 -1.714 6.171 -10.063 1.00 23.14 C ATOM 525 O ILE A 33 -2.132 5.104 -10.514 1.00 44.51 O ATOM 526 CB ILE A 33 -2.520 8.026 -11.527 1.00 62.22 C ATOM 527 CG1 ILE A 33 -2.119 9.336 -12.207 1.00 54.41 C ATOM 528 CG2 ILE A 33 -3.505 8.287 -10.397 1.00 14.14 C ATOM 529 CD1 ILE A 33 -3.279 10.060 -12.854 1.00 63.20 C ATOM 0 H ILE A 33 -0.777 5.905 -12.481 1.00 73.05 H new ATOM 0 HA ILE A 33 -0.659 8.005 -10.439 1.00 23.31 H new ATOM 0 HB ILE A 33 -3.007 7.390 -12.266 1.00 62.22 H new ATOM 0 HG12 ILE A 33 -1.657 9.992 -11.469 1.00 54.41 H new ATOM 0 HG13 ILE A 33 -1.364 9.127 -12.965 1.00 54.41 H new ATOM 0 HG21 ILE A 33 -4.381 8.803 -10.790 1.00 14.14 H new ATOM 0 HG22 ILE A 33 -3.811 7.339 -9.955 1.00 14.14 H new ATOM 0 HG23 ILE A 33 -3.030 8.906 -9.636 1.00 14.14 H new ATOM 0 HD11 ILE A 33 -2.921 10.980 -13.317 1.00 63.20 H new ATOM 0 HD12 ILE A 33 -3.727 9.422 -13.615 1.00 63.20 H new ATOM 0 HD13 ILE A 33 -4.025 10.301 -12.097 1.00 63.20 H new ATOM 541 N VAL A 34 -1.621 6.419 -8.760 1.00 52.01 N ATOM 542 CA VAL A 34 -2.015 5.429 -7.764 1.00 43.53 C ATOM 543 C VAL A 34 -3.307 5.835 -7.066 1.00 74.31 C ATOM 544 O VAL A 34 -3.838 6.921 -7.302 1.00 74.13 O ATOM 545 CB VAL A 34 -0.913 5.230 -6.705 1.00 11.24 C ATOM 546 CG1 VAL A 34 -1.097 6.207 -5.553 1.00 42.05 C ATOM 547 CG2 VAL A 34 -0.911 3.795 -6.202 1.00 54.22 C ATOM 0 H VAL A 34 -1.277 7.296 -8.370 1.00 52.01 H new ATOM 0 HA VAL A 34 -2.173 4.491 -8.296 1.00 43.53 H new ATOM 0 HB VAL A 34 0.053 5.430 -7.169 1.00 11.24 H new ATOM 0 HG11 VAL A 34 -0.310 6.052 -4.815 1.00 42.05 H new ATOM 0 HG12 VAL A 34 -1.044 7.228 -5.930 1.00 42.05 H new ATOM 0 HG13 VAL A 34 -2.069 6.042 -5.087 1.00 42.05 H new ATOM 0 HG21 VAL A 34 -0.127 3.672 -5.455 1.00 54.22 H new ATOM 0 HG22 VAL A 34 -1.878 3.565 -5.754 1.00 54.22 H new ATOM 0 HG23 VAL A 34 -0.727 3.117 -7.036 1.00 54.22 H new ATOM 557 N ILE A 35 -3.810 4.956 -6.206 1.00 70.45 N ATOM 558 CA ILE A 35 -5.041 5.223 -5.472 1.00 53.30 C ATOM 559 C ILE A 35 -4.965 4.674 -4.052 1.00 54.44 C ATOM 560 O ILE A 35 -4.863 3.465 -3.847 1.00 45.04 O ATOM 561 CB ILE A 35 -6.264 4.612 -6.182 1.00 55.42 C ATOM 562 CG1 ILE A 35 -6.390 5.170 -7.601 1.00 43.34 C ATOM 563 CG2 ILE A 35 -7.531 4.885 -5.385 1.00 4.03 C ATOM 564 CD1 ILE A 35 -7.567 4.611 -8.369 1.00 2.33 C ATOM 0 H ILE A 35 -3.384 4.052 -6.000 1.00 70.45 H new ATOM 0 HA ILE A 35 -5.157 6.306 -5.434 1.00 53.30 H new ATOM 0 HB ILE A 35 -6.125 3.533 -6.248 1.00 55.42 H new ATOM 0 HG12 ILE A 35 -6.483 6.255 -7.549 1.00 43.34 H new ATOM 0 HG13 ILE A 35 -5.473 4.955 -8.150 1.00 43.34 H new ATOM 0 HG21 ILE A 35 -8.386 4.447 -5.900 1.00 4.03 H new ATOM 0 HG22 ILE A 35 -7.439 4.443 -4.393 1.00 4.03 H new ATOM 0 HG23 ILE A 35 -7.677 5.961 -5.291 1.00 4.03 H new ATOM 0 HD11 ILE A 35 -7.593 5.051 -9.366 1.00 2.33 H new ATOM 0 HD12 ILE A 35 -7.466 3.529 -8.453 1.00 2.33 H new ATOM 0 HD13 ILE A 35 -8.491 4.849 -7.843 1.00 2.33 H new ATOM 576 N ALA A 36 -5.017 5.570 -3.073 1.00 3.52 N ATOM 577 CA ALA A 36 -4.957 5.177 -1.671 1.00 62.10 C ATOM 578 C ALA A 36 -6.170 4.337 -1.286 1.00 34.53 C ATOM 579 O ALA A 36 -7.313 4.757 -1.469 1.00 23.24 O ATOM 580 CB ALA A 36 -4.859 6.406 -0.781 1.00 35.15 C ATOM 0 H ALA A 36 -5.101 6.575 -3.225 1.00 3.52 H new ATOM 0 HA ALA A 36 -4.065 4.568 -1.527 1.00 62.10 H new ATOM 0 HB1 ALA A 36 -4.815 6.096 0.263 1.00 35.15 H new ATOM 0 HB2 ALA A 36 -3.958 6.966 -1.032 1.00 35.15 H new ATOM 0 HB3 ALA A 36 -5.734 7.038 -0.936 1.00 35.15 H new ATOM 586 N LYS A 37 -5.915 3.148 -0.751 1.00 30.53 N ATOM 587 CA LYS A 37 -6.986 2.248 -0.338 1.00 1.43 C ATOM 588 C LYS A 37 -7.763 2.832 0.839 1.00 74.31 C ATOM 589 O LYS A 37 -8.958 2.577 0.991 1.00 31.14 O ATOM 590 CB LYS A 37 -6.414 0.881 0.042 1.00 70.23 C ATOM 591 CG LYS A 37 -5.327 0.393 -0.901 1.00 23.32 C ATOM 592 CD LYS A 37 -5.277 -1.125 -0.956 1.00 2.15 C ATOM 593 CE LYS A 37 -5.012 -1.724 0.417 1.00 43.10 C ATOM 594 NZ LYS A 37 -4.164 -2.945 0.336 1.00 40.40 N ATOM 0 H LYS A 37 -4.975 2.785 -0.593 1.00 30.53 H new ATOM 0 HA LYS A 37 -7.670 2.127 -1.178 1.00 1.43 H new ATOM 0 HB2 LYS A 37 -6.010 0.934 1.053 1.00 70.23 H new ATOM 0 HB3 LYS A 37 -7.223 0.150 0.060 1.00 70.23 H new ATOM 0 HG2 LYS A 37 -5.507 0.789 -1.901 1.00 23.32 H new ATOM 0 HG3 LYS A 37 -4.361 0.778 -0.575 1.00 23.32 H new ATOM 0 HD2 LYS A 37 -6.221 -1.507 -1.345 1.00 2.15 H new ATOM 0 HD3 LYS A 37 -4.496 -1.440 -1.648 1.00 2.15 H new ATOM 0 HE2 LYS A 37 -4.522 -0.983 1.048 1.00 43.10 H new ATOM 0 HE3 LYS A 37 -5.960 -1.972 0.894 1.00 43.10 H new ATOM 0 HZ1 LYS A 37 -4.663 -3.744 0.776 1.00 40.40 H new ATOM 0 HZ2 LYS A 37 -3.968 -3.166 -0.661 1.00 40.40 H new ATOM 0 HZ3 LYS A 37 -3.268 -2.779 0.837 1.00 40.40 H new ATOM 608 N TRP A 38 -7.078 3.613 1.665 1.00 61.45 N ATOM 609 CA TRP A 38 -7.705 4.232 2.827 1.00 62.31 C ATOM 610 C TRP A 38 -7.102 5.604 3.104 1.00 12.22 C ATOM 611 O TRP A 38 -6.352 6.140 2.286 1.00 30.44 O ATOM 612 CB TRP A 38 -7.548 3.335 4.056 1.00 64.20 C ATOM 613 CG TRP A 38 -7.308 1.896 3.713 1.00 34.24 C ATOM 614 CD1 TRP A 38 -6.103 1.254 3.661 1.00 21.25 C ATOM 615 CD2 TRP A 38 -8.300 0.919 3.375 1.00 23.31 C ATOM 616 NE1 TRP A 38 -6.287 -0.062 3.310 1.00 24.00 N ATOM 617 CE2 TRP A 38 -7.624 -0.293 3.130 1.00 0.41 C ATOM 618 CE3 TRP A 38 -9.692 0.950 3.257 1.00 4.32 C ATOM 619 CZ2 TRP A 38 -8.295 -1.459 2.773 1.00 3.01 C ATOM 620 CZ3 TRP A 38 -10.356 -0.208 2.902 1.00 71.52 C ATOM 621 CH2 TRP A 38 -9.657 -1.400 2.665 1.00 35.10 C ATOM 0 H TRP A 38 -6.088 3.833 1.552 1.00 61.45 H new ATOM 0 HA TRP A 38 -8.766 4.358 2.612 1.00 62.31 H new ATOM 0 HB2 TRP A 38 -6.718 3.701 4.660 1.00 64.20 H new ATOM 0 HB3 TRP A 38 -8.446 3.410 4.669 1.00 64.20 H new ATOM 0 HD1 TRP A 38 -5.147 1.713 3.866 1.00 21.25 H new ATOM 0 HE1 TRP A 38 -5.546 -0.755 3.201 1.00 24.00 H new ATOM 0 HE3 TRP A 38 -10.239 1.863 3.440 1.00 4.32 H new ATOM 0 HZ2 TRP A 38 -7.759 -2.378 2.588 1.00 3.01 H new ATOM 0 HZ3 TRP A 38 -11.432 -0.195 2.805 1.00 71.52 H new ATOM 0 HH2 TRP A 38 -10.205 -2.289 2.392 1.00 35.10 H new ATOM 632 N ASP A 39 -7.431 6.169 4.260 1.00 12.32 N ATOM 633 CA ASP A 39 -6.921 7.479 4.645 1.00 22.12 C ATOM 634 C ASP A 39 -5.855 7.350 5.729 1.00 50.31 C ATOM 635 O ASP A 39 -6.075 6.712 6.758 1.00 72.33 O ATOM 636 CB ASP A 39 -8.061 8.371 5.139 1.00 53.00 C ATOM 637 CG ASP A 39 -9.108 7.594 5.914 1.00 35.23 C ATOM 638 OD1 ASP A 39 -10.309 7.901 5.761 1.00 41.14 O ATOM 639 OD2 ASP A 39 -8.726 6.680 6.674 1.00 22.24 O ATOM 0 H ASP A 39 -8.050 5.739 4.948 1.00 12.32 H new ATOM 0 HA ASP A 39 -6.468 7.936 3.766 1.00 22.12 H new ATOM 0 HB2 ASP A 39 -7.654 9.159 5.773 1.00 53.00 H new ATOM 0 HB3 ASP A 39 -8.532 8.860 4.286 1.00 53.00 H new ATOM 645 N TYR A 40 -4.699 7.960 5.489 1.00 43.45 N ATOM 646 CA TYR A 40 -3.596 7.910 6.442 1.00 14.22 C ATOM 647 C TYR A 40 -3.109 9.313 6.785 1.00 22.24 C ATOM 648 O TYR A 40 -3.417 10.279 6.086 1.00 2.42 O ATOM 649 CB TYR A 40 -2.443 7.081 5.876 1.00 61.22 C ATOM 650 CG TYR A 40 -1.846 6.112 6.872 1.00 31.41 C ATOM 651 CD1 TYR A 40 -2.650 5.207 7.555 1.00 42.25 C ATOM 652 CD2 TYR A 40 -0.481 6.102 7.132 1.00 54.52 C ATOM 653 CE1 TYR A 40 -2.111 4.320 8.467 1.00 42.33 C ATOM 654 CE2 TYR A 40 0.067 5.218 8.040 1.00 35.31 C ATOM 655 CZ TYR A 40 -0.752 4.329 8.705 1.00 23.22 C ATOM 656 OH TYR A 40 -0.210 3.448 9.613 1.00 45.13 O ATOM 0 H TYR A 40 -4.502 8.495 4.643 1.00 43.45 H new ATOM 0 HA TYR A 40 -3.959 7.438 7.355 1.00 14.22 H new ATOM 0 HB2 TYR A 40 -2.799 6.524 5.009 1.00 61.22 H new ATOM 0 HB3 TYR A 40 -1.661 7.754 5.524 1.00 61.22 H new ATOM 0 HD1 TYR A 40 -3.714 5.197 7.370 1.00 42.25 H new ATOM 0 HD2 TYR A 40 0.163 6.798 6.615 1.00 54.52 H new ATOM 0 HE1 TYR A 40 -2.750 3.624 8.990 1.00 42.33 H new ATOM 0 HE2 TYR A 40 1.130 5.222 8.229 1.00 35.31 H new ATOM 0 HH TYR A 40 0.759 3.584 9.662 1.00 45.13 H new ATOM 666 N THR A 41 -2.344 9.420 7.867 1.00 40.31 N ATOM 667 CA THR A 41 -1.813 10.704 8.305 1.00 12.22 C ATOM 668 C THR A 41 -0.295 10.740 8.190 1.00 44.11 C ATOM 669 O THR A 41 0.396 9.848 8.683 1.00 64.55 O ATOM 670 CB THR A 41 -2.214 11.011 9.760 1.00 21.23 C ATOM 671 OG1 THR A 41 -3.635 10.912 9.909 1.00 62.44 O ATOM 672 CG2 THR A 41 -1.753 12.404 10.166 1.00 51.22 C ATOM 0 H THR A 41 -2.078 8.631 8.457 1.00 40.31 H new ATOM 0 HA THR A 41 -2.242 11.463 7.650 1.00 12.22 H new ATOM 0 HB THR A 41 -1.730 10.281 10.408 1.00 21.23 H new ATOM 0 HG1 THR A 41 -3.881 11.107 10.837 1.00 62.44 H new ATOM 0 HG21 THR A 41 -2.047 12.598 11.197 1.00 51.22 H new ATOM 0 HG22 THR A 41 -0.668 12.468 10.080 1.00 51.22 H new ATOM 0 HG23 THR A 41 -2.213 13.145 9.512 1.00 51.22 H new ATOM 680 N ALA A 42 0.221 11.776 7.536 1.00 44.31 N ATOM 681 CA ALA A 42 1.660 11.928 7.359 1.00 62.44 C ATOM 682 C ALA A 42 2.384 11.908 8.701 1.00 3.11 C ATOM 683 O ALA A 42 2.406 12.908 9.418 1.00 25.35 O ATOM 684 CB ALA A 42 1.967 13.217 6.612 1.00 55.13 C ATOM 0 H ALA A 42 -0.336 12.522 7.120 1.00 44.31 H new ATOM 0 HA ALA A 42 2.019 11.084 6.769 1.00 62.44 H new ATOM 0 HB1 ALA A 42 3.045 13.317 6.487 1.00 55.13 H new ATOM 0 HB2 ALA A 42 1.489 13.193 5.633 1.00 55.13 H new ATOM 0 HB3 ALA A 42 1.587 14.066 7.180 1.00 55.13 H new ATOM 690 N GLN A 43 2.973 10.763 9.033 1.00 24.02 N ATOM 691 CA GLN A 43 3.696 10.614 10.291 1.00 12.14 C ATOM 692 C GLN A 43 4.847 11.611 10.379 1.00 13.20 C ATOM 693 O GLN A 43 4.942 12.381 11.334 1.00 21.30 O ATOM 694 CB GLN A 43 4.229 9.188 10.431 1.00 44.30 C ATOM 695 CG GLN A 43 3.198 8.119 10.109 1.00 72.53 C ATOM 696 CD GLN A 43 3.332 7.583 8.698 1.00 44.24 C ATOM 697 OE1 GLN A 43 4.438 7.322 8.223 1.00 72.04 O ATOM 698 NE2 GLN A 43 2.203 7.418 8.018 1.00 33.12 N ATOM 0 H GLN A 43 2.964 9.926 8.449 1.00 24.02 H new ATOM 0 HA GLN A 43 3.001 10.816 11.106 1.00 12.14 H new ATOM 0 HB2 GLN A 43 5.088 9.063 9.771 1.00 44.30 H new ATOM 0 HB3 GLN A 43 4.586 9.041 11.450 1.00 44.30 H new ATOM 0 HG2 GLN A 43 3.300 7.296 10.817 1.00 72.53 H new ATOM 0 HG3 GLN A 43 2.198 8.532 10.243 1.00 72.53 H new ATOM 0 HE21 GLN A 43 1.309 7.647 8.451 1.00 33.12 H new ATOM 0 HE22 GLN A 43 2.231 7.062 7.063 1.00 33.12 H new ATOM 707 N GLN A 44 5.719 11.590 9.376 1.00 5.21 N ATOM 708 CA GLN A 44 6.865 12.491 9.341 1.00 21.04 C ATOM 709 C GLN A 44 6.643 13.614 8.333 1.00 4.52 C ATOM 710 O GLN A 44 5.540 13.790 7.817 1.00 73.25 O ATOM 711 CB GLN A 44 8.137 11.719 8.991 1.00 23.01 C ATOM 712 CG GLN A 44 8.267 10.395 9.725 1.00 21.41 C ATOM 713 CD GLN A 44 8.120 9.200 8.803 1.00 62.34 C ATOM 714 OE1 GLN A 44 8.732 9.145 7.737 1.00 51.33 O ATOM 715 NE2 GLN A 44 7.306 8.233 9.211 1.00 30.00 N ATOM 0 H GLN A 44 5.654 10.959 8.577 1.00 5.21 H new ATOM 0 HA GLN A 44 6.979 12.933 10.331 1.00 21.04 H new ATOM 0 HB2 GLN A 44 8.155 11.533 7.917 1.00 23.01 H new ATOM 0 HB3 GLN A 44 9.003 12.339 9.221 1.00 23.01 H new ATOM 0 HG2 GLN A 44 9.238 10.351 10.218 1.00 21.41 H new ATOM 0 HG3 GLN A 44 7.509 10.341 10.507 1.00 21.41 H new ATOM 0 HE21 GLN A 44 6.818 8.319 10.102 1.00 30.00 H new ATOM 0 HE22 GLN A 44 7.169 7.404 8.633 1.00 30.00 H new ATOM 724 N ASP A 45 7.700 14.372 8.058 1.00 32.44 N ATOM 725 CA ASP A 45 7.621 15.478 7.111 1.00 1.21 C ATOM 726 C ASP A 45 7.827 14.986 5.682 1.00 63.22 C ATOM 727 O ASP A 45 7.408 15.636 4.725 1.00 63.32 O ATOM 728 CB ASP A 45 8.662 16.545 7.452 1.00 63.34 C ATOM 729 CG ASP A 45 10.033 16.217 6.891 1.00 13.30 C ATOM 730 OD1 ASP A 45 10.470 16.912 5.949 1.00 31.21 O ATOM 731 OD2 ASP A 45 10.666 15.268 7.392 1.00 63.51 O ATOM 0 H ASP A 45 8.620 14.240 8.477 1.00 32.44 H new ATOM 0 HA ASP A 45 6.626 15.916 7.185 1.00 1.21 H new ATOM 0 HB2 ASP A 45 8.333 17.508 7.060 1.00 63.34 H new ATOM 0 HB3 ASP A 45 8.731 16.648 8.535 1.00 63.34 H new ATOM 737 N GLN A 46 8.480 13.835 5.547 1.00 14.52 N ATOM 738 CA GLN A 46 8.744 13.257 4.234 1.00 10.13 C ATOM 739 C GLN A 46 7.557 12.427 3.755 1.00 3.35 C ATOM 740 O GLN A 46 7.394 12.194 2.558 1.00 24.05 O ATOM 741 CB GLN A 46 10.002 12.389 4.281 1.00 1.22 C ATOM 742 CG GLN A 46 11.280 13.181 4.506 1.00 25.21 C ATOM 743 CD GLN A 46 11.777 13.860 3.246 1.00 13.44 C ATOM 744 OE1 GLN A 46 11.325 13.553 2.141 1.00 31.13 O ATOM 745 NE2 GLN A 46 12.711 14.791 3.403 1.00 44.12 N ATOM 0 H GLN A 46 8.835 13.286 6.330 1.00 14.52 H new ATOM 0 HA GLN A 46 8.900 14.074 3.530 1.00 10.13 H new ATOM 0 HB2 GLN A 46 9.896 11.653 5.078 1.00 1.22 H new ATOM 0 HB3 GLN A 46 10.087 11.836 3.345 1.00 1.22 H new ATOM 0 HG2 GLN A 46 11.105 13.934 5.275 1.00 25.21 H new ATOM 0 HG3 GLN A 46 12.054 12.513 4.884 1.00 25.21 H new ATOM 0 HE21 GLN A 46 13.057 15.014 4.336 1.00 44.12 H new ATOM 0 HE22 GLN A 46 13.082 15.283 2.590 1.00 44.12 H new ATOM 754 N GLU A 47 6.731 11.986 4.699 1.00 30.10 N ATOM 755 CA GLU A 47 5.559 11.181 4.371 1.00 23.10 C ATOM 756 C GLU A 47 4.440 12.053 3.813 1.00 1.50 C ATOM 757 O GLU A 47 4.393 13.259 4.060 1.00 2.01 O ATOM 758 CB GLU A 47 5.067 10.431 5.611 1.00 0.52 C ATOM 759 CG GLU A 47 6.183 9.798 6.424 1.00 52.13 C ATOM 760 CD GLU A 47 6.903 8.698 5.669 1.00 40.33 C ATOM 761 OE1 GLU A 47 7.701 9.022 4.765 1.00 63.13 O ATOM 762 OE2 GLU A 47 6.667 7.512 5.982 1.00 24.13 O ATOM 0 H GLU A 47 6.851 12.172 5.695 1.00 30.10 H new ATOM 0 HA GLU A 47 5.847 10.458 3.608 1.00 23.10 H new ATOM 0 HB2 GLU A 47 4.513 11.122 6.247 1.00 0.52 H new ATOM 0 HB3 GLU A 47 4.369 9.653 5.301 1.00 0.52 H new ATOM 0 HG2 GLU A 47 6.901 10.567 6.710 1.00 52.13 H new ATOM 0 HG3 GLU A 47 5.769 9.390 7.346 1.00 52.13 H new ATOM 769 N LEU A 48 3.538 11.436 3.057 1.00 10.33 N ATOM 770 CA LEU A 48 2.418 12.155 2.461 1.00 33.42 C ATOM 771 C LEU A 48 1.096 11.723 3.091 1.00 20.32 C ATOM 772 O LEU A 48 0.946 10.579 3.521 1.00 25.21 O ATOM 773 CB LEU A 48 2.377 11.915 0.950 1.00 24.43 C ATOM 774 CG LEU A 48 2.054 13.134 0.086 1.00 22.13 C ATOM 775 CD1 LEU A 48 2.477 12.894 -1.354 1.00 1.24 C ATOM 776 CD2 LEU A 48 0.570 13.463 0.161 1.00 4.10 C ATOM 0 H LEU A 48 3.561 10.439 2.842 1.00 10.33 H new ATOM 0 HA LEU A 48 2.560 13.219 2.650 1.00 33.42 H new ATOM 0 HB2 LEU A 48 3.344 11.520 0.639 1.00 24.43 H new ATOM 0 HB3 LEU A 48 1.636 11.142 0.745 1.00 24.43 H new ATOM 0 HG LEU A 48 2.614 13.987 0.470 1.00 22.13 H new ATOM 0 HD11 LEU A 48 2.239 13.772 -1.954 1.00 1.24 H new ATOM 0 HD12 LEU A 48 3.550 12.708 -1.392 1.00 1.24 H new ATOM 0 HD13 LEU A 48 1.945 12.029 -1.750 1.00 1.24 H new ATOM 0 HD21 LEU A 48 0.358 14.333 -0.460 1.00 4.10 H new ATOM 0 HD22 LEU A 48 -0.010 12.612 -0.197 1.00 4.10 H new ATOM 0 HD23 LEU A 48 0.297 13.679 1.194 1.00 4.10 H new ATOM 788 N ASP A 49 0.142 12.646 3.142 1.00 52.33 N ATOM 789 CA ASP A 49 -1.168 12.360 3.716 1.00 65.34 C ATOM 790 C ASP A 49 -2.153 11.928 2.634 1.00 34.23 C ATOM 791 O ASP A 49 -2.461 12.692 1.720 1.00 12.54 O ATOM 792 CB ASP A 49 -1.705 13.589 4.451 1.00 21.03 C ATOM 793 CG ASP A 49 -0.655 14.243 5.328 1.00 35.24 C ATOM 794 OD1 ASP A 49 -0.775 14.149 6.568 1.00 51.24 O ATOM 795 OD2 ASP A 49 0.285 14.848 4.775 1.00 44.21 O ATOM 0 H ASP A 49 0.251 13.598 2.793 1.00 52.33 H new ATOM 0 HA ASP A 49 -1.055 11.541 4.427 1.00 65.34 H new ATOM 0 HB2 ASP A 49 -2.069 14.314 3.723 1.00 21.03 H new ATOM 0 HB3 ASP A 49 -2.557 13.298 5.065 1.00 21.03 H new ATOM 801 N ILE A 50 -2.643 10.698 2.745 1.00 54.41 N ATOM 802 CA ILE A 50 -3.594 10.165 1.777 1.00 13.23 C ATOM 803 C ILE A 50 -4.990 10.056 2.380 1.00 35.13 C ATOM 804 O ILE A 50 -5.145 9.883 3.589 1.00 54.44 O ATOM 805 CB ILE A 50 -3.159 8.780 1.265 1.00 44.14 C ATOM 806 CG1 ILE A 50 -2.795 7.869 2.439 1.00 22.34 C ATOM 807 CG2 ILE A 50 -1.984 8.913 0.308 1.00 3.43 C ATOM 808 CD1 ILE A 50 -2.382 6.475 2.019 1.00 32.02 C ATOM 0 H ILE A 50 -2.397 10.052 3.495 1.00 54.41 H new ATOM 0 HA ILE A 50 -3.616 10.863 0.940 1.00 13.23 H new ATOM 0 HB ILE A 50 -3.993 8.331 0.725 1.00 44.14 H new ATOM 0 HG12 ILE A 50 -1.982 8.325 3.003 1.00 22.34 H new ATOM 0 HG13 ILE A 50 -3.650 7.798 3.112 1.00 22.34 H new ATOM 0 HG21 ILE A 50 -1.689 7.925 -0.045 1.00 3.43 H new ATOM 0 HG22 ILE A 50 -2.275 9.530 -0.542 1.00 3.43 H new ATOM 0 HG23 ILE A 50 -1.145 9.380 0.824 1.00 3.43 H new ATOM 0 HD11 ILE A 50 -2.138 5.886 2.903 1.00 32.02 H new ATOM 0 HD12 ILE A 50 -3.202 5.999 1.480 1.00 32.02 H new ATOM 0 HD13 ILE A 50 -1.508 6.534 1.370 1.00 32.02 H new ATOM 820 N LYS A 51 -6.006 10.158 1.528 1.00 71.52 N ATOM 821 CA LYS A 51 -7.391 10.067 1.975 1.00 45.53 C ATOM 822 C LYS A 51 -8.125 8.945 1.247 1.00 70.34 C ATOM 823 O LYS A 51 -7.675 8.467 0.205 1.00 32.23 O ATOM 824 CB LYS A 51 -8.111 11.397 1.740 1.00 45.41 C ATOM 825 CG LYS A 51 -9.001 11.818 2.897 1.00 23.15 C ATOM 826 CD LYS A 51 -9.534 13.228 2.705 1.00 3.34 C ATOM 827 CE LYS A 51 -8.437 14.268 2.870 1.00 44.41 C ATOM 828 NZ LYS A 51 -8.845 15.365 3.790 1.00 21.24 N ATOM 0 H LYS A 51 -5.896 10.304 0.525 1.00 71.52 H new ATOM 0 HA LYS A 51 -7.389 9.844 3.042 1.00 45.53 H new ATOM 0 HB2 LYS A 51 -7.370 12.176 1.561 1.00 45.41 H new ATOM 0 HB3 LYS A 51 -8.716 11.319 0.837 1.00 45.41 H new ATOM 0 HG2 LYS A 51 -9.835 11.122 2.988 1.00 23.15 H new ATOM 0 HG3 LYS A 51 -8.438 11.764 3.829 1.00 23.15 H new ATOM 0 HD2 LYS A 51 -9.976 13.319 1.713 1.00 3.34 H new ATOM 0 HD3 LYS A 51 -10.329 13.419 3.426 1.00 3.34 H new ATOM 0 HE2 LYS A 51 -7.537 13.788 3.254 1.00 44.41 H new ATOM 0 HE3 LYS A 51 -8.184 14.687 1.896 1.00 44.41 H new ATOM 0 HZ1 LYS A 51 -8.070 16.053 3.875 1.00 21.24 H new ATOM 0 HZ2 LYS A 51 -9.689 15.840 3.411 1.00 21.24 H new ATOM 0 HZ3 LYS A 51 -9.062 14.970 4.727 1.00 21.24 H new ATOM 842 N LYS A 52 -9.257 8.528 1.802 1.00 35.53 N ATOM 843 CA LYS A 52 -10.056 7.463 1.207 1.00 12.42 C ATOM 844 C LYS A 52 -10.296 7.728 -0.276 1.00 44.05 C ATOM 845 O LYS A 52 -10.867 8.751 -0.650 1.00 44.41 O ATOM 846 CB LYS A 52 -11.397 7.336 1.935 1.00 61.11 C ATOM 847 CG LYS A 52 -11.394 6.285 3.033 1.00 4.34 C ATOM 848 CD LYS A 52 -11.287 4.881 2.461 1.00 31.21 C ATOM 849 CE LYS A 52 -12.567 4.471 1.750 1.00 63.32 C ATOM 850 NZ LYS A 52 -13.751 4.547 2.651 1.00 12.52 N ATOM 0 H LYS A 52 -9.643 8.912 2.665 1.00 35.53 H new ATOM 0 HA LYS A 52 -9.504 6.529 1.308 1.00 12.42 H new ATOM 0 HB2 LYS A 52 -11.659 8.301 2.368 1.00 61.11 H new ATOM 0 HB3 LYS A 52 -12.173 7.090 1.210 1.00 61.11 H new ATOM 0 HG2 LYS A 52 -10.560 6.467 3.710 1.00 4.34 H new ATOM 0 HG3 LYS A 52 -12.307 6.370 3.622 1.00 4.34 H new ATOM 0 HD2 LYS A 52 -10.451 4.834 1.763 1.00 31.21 H new ATOM 0 HD3 LYS A 52 -11.073 4.175 3.264 1.00 31.21 H new ATOM 0 HE2 LYS A 52 -12.726 5.117 0.887 1.00 63.32 H new ATOM 0 HE3 LYS A 52 -12.463 3.454 1.372 1.00 63.32 H new ATOM 0 HZ1 LYS A 52 -14.518 3.960 2.266 1.00 12.52 H new ATOM 0 HZ2 LYS A 52 -13.491 4.200 3.596 1.00 12.52 H new ATOM 0 HZ3 LYS A 52 -14.072 5.534 2.720 1.00 12.52 H new ATOM 864 N ASN A 53 -9.854 6.799 -1.117 1.00 65.25 N ATOM 865 CA ASN A 53 -10.021 6.931 -2.560 1.00 13.10 C ATOM 866 C ASN A 53 -9.285 8.162 -3.082 1.00 15.33 C ATOM 867 O ASN A 53 -9.833 8.938 -3.863 1.00 44.03 O ATOM 868 CB ASN A 53 -11.506 7.021 -2.917 1.00 75.42 C ATOM 869 CG ASN A 53 -11.745 6.978 -4.413 1.00 14.15 C ATOM 870 OD1 ASN A 53 -11.165 6.157 -5.123 1.00 3.30 O ATOM 871 ND2 ASN A 53 -12.602 7.869 -4.901 1.00 20.14 N ATOM 0 H ASN A 53 -9.377 5.946 -0.824 1.00 65.25 H new ATOM 0 HA ASN A 53 -9.594 6.046 -3.033 1.00 13.10 H new ATOM 0 HB2 ASN A 53 -12.041 6.198 -2.443 1.00 75.42 H new ATOM 0 HB3 ASN A 53 -11.919 7.945 -2.512 1.00 75.42 H new ATOM 0 HD21 ASN A 53 -12.801 7.890 -5.901 1.00 20.14 H new ATOM 0 HD22 ASN A 53 -13.060 8.531 -4.275 1.00 20.14 H new ATOM 878 N GLU A 54 -8.043 8.332 -2.643 1.00 41.44 N ATOM 879 CA GLU A 54 -7.233 9.469 -3.065 1.00 41.40 C ATOM 880 C GLU A 54 -6.264 9.065 -4.173 1.00 1.30 C ATOM 881 O GLU A 54 -5.524 8.090 -4.040 1.00 34.14 O ATOM 882 CB GLU A 54 -6.457 10.041 -1.878 1.00 34.42 C ATOM 883 CG GLU A 54 -5.631 11.268 -2.223 1.00 0.30 C ATOM 884 CD GLU A 54 -6.443 12.550 -2.175 1.00 42.53 C ATOM 885 OE1 GLU A 54 -7.108 12.867 -3.183 1.00 25.42 O ATOM 886 OE2 GLU A 54 -6.409 13.233 -1.132 1.00 22.15 O ATOM 0 H GLU A 54 -7.575 7.698 -1.996 1.00 41.44 H new ATOM 0 HA GLU A 54 -7.904 10.235 -3.453 1.00 41.40 H new ATOM 0 HB2 GLU A 54 -7.160 10.298 -1.086 1.00 34.42 H new ATOM 0 HB3 GLU A 54 -5.797 9.270 -1.481 1.00 34.42 H new ATOM 0 HG2 GLU A 54 -4.795 11.346 -1.528 1.00 0.30 H new ATOM 0 HG3 GLU A 54 -5.207 11.148 -3.220 1.00 0.30 H new ATOM 893 N ARG A 55 -6.275 9.821 -5.265 1.00 5.55 N ATOM 894 CA ARG A 55 -5.399 9.542 -6.397 1.00 1.25 C ATOM 895 C ARG A 55 -4.253 10.547 -6.458 1.00 10.32 C ATOM 896 O ARG A 55 -4.417 11.716 -6.105 1.00 73.12 O ATOM 897 CB ARG A 55 -6.193 9.578 -7.705 1.00 4.31 C ATOM 898 CG ARG A 55 -7.209 10.707 -7.769 1.00 50.44 C ATOM 899 CD ARG A 55 -7.721 10.914 -9.185 1.00 54.53 C ATOM 900 NE ARG A 55 -8.075 12.307 -9.442 1.00 64.15 N ATOM 901 CZ ARG A 55 -9.186 12.878 -8.992 1.00 51.41 C ATOM 902 NH1 ARG A 55 -10.048 12.178 -8.267 1.00 53.34 N ATOM 903 NH2 ARG A 55 -9.438 14.152 -9.267 1.00 40.42 N ATOM 0 H ARG A 55 -6.881 10.632 -5.390 1.00 5.55 H new ATOM 0 HA ARG A 55 -4.979 8.545 -6.262 1.00 1.25 H new ATOM 0 HB2 ARG A 55 -5.499 9.678 -8.539 1.00 4.31 H new ATOM 0 HB3 ARG A 55 -6.710 8.627 -7.833 1.00 4.31 H new ATOM 0 HG2 ARG A 55 -8.046 10.483 -7.107 1.00 50.44 H new ATOM 0 HG3 ARG A 55 -6.754 11.629 -7.407 1.00 50.44 H new ATOM 0 HD2 ARG A 55 -6.958 10.597 -9.896 1.00 54.53 H new ATOM 0 HD3 ARG A 55 -8.593 10.282 -9.351 1.00 54.53 H new ATOM 0 HE ARG A 55 -7.433 12.873 -9.998 1.00 64.15 H new ATOM 0 HH11 ARG A 55 -9.858 11.199 -8.054 1.00 53.34 H new ATOM 0 HH12 ARG A 55 -10.901 12.619 -7.922 1.00 53.34 H new ATOM 0 HH21 ARG A 55 -8.778 14.694 -9.825 1.00 40.42 H new ATOM 0 HH22 ARG A 55 -10.292 14.589 -8.921 1.00 40.42 H new ATOM 917 N LEU A 56 -3.091 10.085 -6.908 1.00 15.14 N ATOM 918 CA LEU A 56 -1.916 10.943 -7.016 1.00 1.45 C ATOM 919 C LEU A 56 -1.027 10.507 -8.176 1.00 75.24 C ATOM 920 O LEU A 56 -1.288 9.493 -8.822 1.00 41.45 O ATOM 921 CB LEU A 56 -1.119 10.916 -5.710 1.00 34.32 C ATOM 922 CG LEU A 56 -1.486 11.982 -4.677 1.00 42.52 C ATOM 923 CD1 LEU A 56 -2.648 11.516 -3.816 1.00 1.12 C ATOM 924 CD2 LEU A 56 -0.281 12.322 -3.812 1.00 50.00 C ATOM 0 H LEU A 56 -2.938 9.121 -7.204 1.00 15.14 H new ATOM 0 HA LEU A 56 -2.257 11.961 -7.207 1.00 1.45 H new ATOM 0 HB2 LEU A 56 -1.245 9.935 -5.251 1.00 34.32 H new ATOM 0 HB3 LEU A 56 -0.061 11.021 -5.951 1.00 34.32 H new ATOM 0 HG LEU A 56 -1.794 12.883 -5.207 1.00 42.52 H new ATOM 0 HD11 LEU A 56 -2.894 12.289 -3.087 1.00 1.12 H new ATOM 0 HD12 LEU A 56 -3.515 11.324 -4.448 1.00 1.12 H new ATOM 0 HD13 LEU A 56 -2.370 10.600 -3.294 1.00 1.12 H new ATOM 0 HD21 LEU A 56 -0.560 13.082 -3.082 1.00 50.00 H new ATOM 0 HD22 LEU A 56 0.058 11.426 -3.291 1.00 50.00 H new ATOM 0 HD23 LEU A 56 0.524 12.702 -4.442 1.00 50.00 H new ATOM 936 N TRP A 57 0.022 11.279 -8.433 1.00 71.15 N ATOM 937 CA TRP A 57 0.951 10.971 -9.514 1.00 15.40 C ATOM 938 C TRP A 57 2.088 10.084 -9.018 1.00 14.50 C ATOM 939 O TRP A 57 2.906 10.507 -8.200 1.00 62.34 O ATOM 940 CB TRP A 57 1.515 12.260 -10.112 1.00 20.24 C ATOM 941 CG TRP A 57 0.582 12.926 -11.077 1.00 52.31 C ATOM 942 CD1 TRP A 57 0.749 13.049 -12.426 1.00 52.43 C ATOM 943 CD2 TRP A 57 -0.663 13.561 -10.765 1.00 44.41 C ATOM 944 NE1 TRP A 57 -0.317 13.722 -12.974 1.00 71.11 N ATOM 945 CE2 TRP A 57 -1.198 14.047 -11.976 1.00 63.44 C ATOM 946 CE3 TRP A 57 -1.379 13.765 -9.583 1.00 42.34 C ATOM 947 CZ2 TRP A 57 -2.412 14.725 -12.034 1.00 62.54 C ATOM 948 CZ3 TRP A 57 -2.584 14.438 -9.643 1.00 32.05 C ATOM 949 CH2 TRP A 57 -3.091 14.911 -10.861 1.00 23.00 C ATOM 0 H TRP A 57 0.251 12.123 -7.908 1.00 71.15 H new ATOM 0 HA TRP A 57 0.405 10.430 -10.287 1.00 15.40 H new ATOM 0 HB2 TRP A 57 1.748 12.955 -9.305 1.00 20.24 H new ATOM 0 HB3 TRP A 57 2.453 12.036 -10.620 1.00 20.24 H new ATOM 0 HD1 TRP A 57 1.595 12.673 -12.982 1.00 52.43 H new ATOM 0 HE1 TRP A 57 -0.433 13.943 -13.963 1.00 71.11 H new ATOM 0 HE3 TRP A 57 -0.998 13.403 -8.640 1.00 42.34 H new ATOM 0 HZ2 TRP A 57 -2.804 15.091 -12.971 1.00 62.54 H new ATOM 0 HZ3 TRP A 57 -3.145 14.603 -8.735 1.00 32.05 H new ATOM 0 HH2 TRP A 57 -4.037 15.433 -10.874 1.00 23.00 H new ATOM 960 N LEU A 58 2.136 8.855 -9.521 1.00 22.50 N ATOM 961 CA LEU A 58 3.175 7.909 -9.129 1.00 34.44 C ATOM 962 C LEU A 58 4.545 8.374 -9.611 1.00 72.31 C ATOM 963 O LEU A 58 4.748 8.615 -10.802 1.00 34.54 O ATOM 964 CB LEU A 58 2.868 6.520 -9.693 1.00 11.15 C ATOM 965 CG LEU A 58 2.665 5.408 -8.664 1.00 31.35 C ATOM 966 CD1 LEU A 58 2.531 4.060 -9.354 1.00 43.44 C ATOM 967 CD2 LEU A 58 3.813 5.388 -7.666 1.00 1.01 C ATOM 0 H LEU A 58 1.468 8.491 -10.200 1.00 22.50 H new ATOM 0 HA LEU A 58 3.192 7.857 -8.040 1.00 34.44 H new ATOM 0 HB2 LEU A 58 1.969 6.589 -10.306 1.00 11.15 H new ATOM 0 HB3 LEU A 58 3.684 6.230 -10.355 1.00 11.15 H new ATOM 0 HG LEU A 58 1.742 5.607 -8.120 1.00 31.35 H new ATOM 0 HD11 LEU A 58 2.387 3.281 -8.605 1.00 43.44 H new ATOM 0 HD12 LEU A 58 1.674 4.079 -10.027 1.00 43.44 H new ATOM 0 HD13 LEU A 58 3.436 3.852 -9.925 1.00 43.44 H new ATOM 0 HD21 LEU A 58 3.651 4.590 -6.941 1.00 1.01 H new ATOM 0 HD22 LEU A 58 4.751 5.214 -8.194 1.00 1.01 H new ATOM 0 HD23 LEU A 58 3.861 6.345 -7.147 1.00 1.01 H new ATOM 979 N LEU A 59 5.485 8.496 -8.680 1.00 34.04 N ATOM 980 CA LEU A 59 6.837 8.931 -9.009 1.00 44.42 C ATOM 981 C LEU A 59 7.784 7.738 -9.104 1.00 54.31 C ATOM 982 O LEU A 59 8.210 7.358 -10.195 1.00 64.13 O ATOM 983 CB LEU A 59 7.348 9.920 -7.960 1.00 43.11 C ATOM 984 CG LEU A 59 6.526 11.196 -7.785 1.00 34.41 C ATOM 985 CD1 LEU A 59 7.224 12.154 -6.831 1.00 72.02 C ATOM 986 CD2 LEU A 59 6.282 11.863 -9.130 1.00 0.42 C ATOM 0 H LEU A 59 5.335 8.299 -7.690 1.00 34.04 H new ATOM 0 HA LEU A 59 6.806 9.426 -9.979 1.00 44.42 H new ATOM 0 HB2 LEU A 59 7.395 9.408 -6.999 1.00 43.11 H new ATOM 0 HB3 LEU A 59 8.368 10.202 -8.222 1.00 43.11 H new ATOM 0 HG LEU A 59 5.561 10.927 -7.356 1.00 34.41 H new ATOM 0 HD11 LEU A 59 6.624 13.057 -6.719 1.00 72.02 H new ATOM 0 HD12 LEU A 59 7.345 11.676 -5.859 1.00 72.02 H new ATOM 0 HD13 LEU A 59 8.203 12.417 -7.231 1.00 72.02 H new ATOM 0 HD21 LEU A 59 5.695 12.770 -8.985 1.00 0.42 H new ATOM 0 HD22 LEU A 59 7.237 12.118 -9.588 1.00 0.42 H new ATOM 0 HD23 LEU A 59 5.738 11.179 -9.782 1.00 0.42 H new ATOM 998 N ASP A 60 8.105 7.152 -7.956 1.00 45.41 N ATOM 999 CA ASP A 60 8.998 6.001 -7.910 1.00 44.02 C ATOM 1000 C ASP A 60 8.458 4.931 -6.967 1.00 42.03 C ATOM 1001 O ASP A 60 8.403 5.130 -5.753 1.00 41.14 O ATOM 1002 CB ASP A 60 10.398 6.431 -7.466 1.00 30.53 C ATOM 1003 CG ASP A 60 11.431 5.341 -7.670 1.00 52.24 C ATOM 1004 OD1 ASP A 60 11.902 5.178 -8.815 1.00 42.14 O ATOM 1005 OD2 ASP A 60 11.769 4.651 -6.686 1.00 21.31 O ATOM 0 H ASP A 60 7.760 7.455 -7.045 1.00 45.41 H new ATOM 0 HA ASP A 60 9.057 5.579 -8.913 1.00 44.02 H new ATOM 0 HB2 ASP A 60 10.696 7.319 -8.024 1.00 30.53 H new ATOM 0 HB3 ASP A 60 10.372 6.710 -6.413 1.00 30.53 H new ATOM 1011 N ASP A 61 8.058 3.798 -7.533 1.00 74.02 N ATOM 1012 CA ASP A 61 7.520 2.697 -6.744 1.00 64.23 C ATOM 1013 C ASP A 61 8.357 1.435 -6.931 1.00 50.05 C ATOM 1014 O ASP A 61 7.991 0.543 -7.697 1.00 41.14 O ATOM 1015 CB ASP A 61 6.067 2.422 -7.133 1.00 74.15 C ATOM 1016 CG ASP A 61 5.813 2.642 -8.612 1.00 63.04 C ATOM 1017 OD1 ASP A 61 5.639 1.641 -9.339 1.00 50.41 O ATOM 1018 OD2 ASP A 61 5.787 3.813 -9.042 1.00 44.23 O ATOM 0 H ASP A 61 8.096 3.618 -8.536 1.00 74.02 H new ATOM 0 HA ASP A 61 7.557 2.985 -5.693 1.00 64.23 H new ATOM 0 HB2 ASP A 61 5.812 1.395 -6.872 1.00 74.15 H new ATOM 0 HB3 ASP A 61 5.410 3.070 -6.554 1.00 74.15 H new ATOM 1024 N SER A 62 9.483 1.367 -6.228 1.00 11.04 N ATOM 1025 CA SER A 62 10.374 0.216 -6.320 1.00 2.11 C ATOM 1026 C SER A 62 10.356 -0.591 -5.027 1.00 33.13 C ATOM 1027 O SER A 62 10.189 -1.811 -5.044 1.00 5.15 O ATOM 1028 CB SER A 62 11.801 0.675 -6.628 1.00 63.21 C ATOM 1029 OG SER A 62 12.159 0.367 -7.964 1.00 13.21 O ATOM 0 H SER A 62 9.800 2.095 -5.588 1.00 11.04 H new ATOM 0 HA SER A 62 10.021 -0.422 -7.130 1.00 2.11 H new ATOM 0 HB2 SER A 62 11.884 1.749 -6.465 1.00 63.21 H new ATOM 0 HB3 SER A 62 12.497 0.193 -5.941 1.00 63.21 H new ATOM 0 HG SER A 62 13.074 0.672 -8.136 1.00 13.21 H new ATOM 1035 N LYS A 63 10.525 0.099 -3.904 1.00 25.43 N ATOM 1036 CA LYS A 63 10.527 -0.552 -2.598 1.00 74.22 C ATOM 1037 C LYS A 63 9.111 -0.657 -2.041 1.00 31.25 C ATOM 1038 O LYS A 63 8.155 -0.179 -2.652 1.00 42.42 O ATOM 1039 CB LYS A 63 11.415 0.222 -1.621 1.00 54.24 C ATOM 1040 CG LYS A 63 12.729 -0.474 -1.311 1.00 3.21 C ATOM 1041 CD LYS A 63 13.366 0.074 -0.046 1.00 22.25 C ATOM 1042 CE LYS A 63 14.880 -0.066 -0.077 1.00 41.11 C ATOM 1043 NZ LYS A 63 15.309 -1.487 0.049 1.00 55.01 N ATOM 0 H LYS A 63 10.662 1.109 -3.872 1.00 25.43 H new ATOM 0 HA LYS A 63 10.926 -1.559 -2.722 1.00 74.22 H new ATOM 0 HB2 LYS A 63 11.625 1.208 -2.037 1.00 54.24 H new ATOM 0 HB3 LYS A 63 10.868 0.378 -0.691 1.00 54.24 H new ATOM 0 HG2 LYS A 63 12.557 -1.544 -1.198 1.00 3.21 H new ATOM 0 HG3 LYS A 63 13.415 -0.348 -2.149 1.00 3.21 H new ATOM 0 HD2 LYS A 63 13.099 1.124 0.071 1.00 22.25 H new ATOM 0 HD3 LYS A 63 12.969 -0.454 0.821 1.00 22.25 H new ATOM 0 HE2 LYS A 63 15.264 0.348 -1.009 1.00 41.11 H new ATOM 0 HE3 LYS A 63 15.315 0.518 0.734 1.00 41.11 H new ATOM 0 HZ1 LYS A 63 16.347 -1.540 0.024 1.00 55.01 H new ATOM 0 HZ2 LYS A 63 14.965 -1.875 0.950 1.00 55.01 H new ATOM 0 HZ3 LYS A 63 14.915 -2.040 -0.739 1.00 55.01 H new ATOM 1057 N THR A 64 8.983 -1.284 -0.876 1.00 44.31 N ATOM 1058 CA THR A 64 7.685 -1.452 -0.237 1.00 30.35 C ATOM 1059 C THR A 64 6.908 -0.139 -0.216 1.00 43.33 C ATOM 1060 O THR A 64 5.688 -0.126 -0.377 1.00 24.14 O ATOM 1061 CB THR A 64 7.831 -1.970 1.206 1.00 60.20 C ATOM 1062 OG1 THR A 64 6.619 -1.743 1.935 1.00 75.53 O ATOM 1063 CG2 THR A 64 8.990 -1.282 1.914 1.00 14.21 C ATOM 0 H THR A 64 9.764 -1.684 -0.356 1.00 44.31 H new ATOM 0 HA THR A 64 7.137 -2.187 -0.826 1.00 30.35 H new ATOM 0 HB THR A 64 8.034 -3.040 1.164 1.00 60.20 H new ATOM 0 HG1 THR A 64 5.880 -2.214 1.496 1.00 75.53 H new ATOM 0 HG21 THR A 64 9.073 -1.664 2.931 1.00 14.21 H new ATOM 0 HG22 THR A 64 9.916 -1.481 1.374 1.00 14.21 H new ATOM 0 HG23 THR A 64 8.812 -0.207 1.944 1.00 14.21 H new ATOM 1071 N TRP A 65 7.625 0.963 -0.019 1.00 33.10 N ATOM 1072 CA TRP A 65 7.001 2.280 0.022 1.00 43.43 C ATOM 1073 C TRP A 65 7.076 2.960 -1.342 1.00 55.21 C ATOM 1074 O TRP A 65 8.100 2.897 -2.022 1.00 33.41 O ATOM 1075 CB TRP A 65 7.679 3.155 1.077 1.00 2.31 C ATOM 1076 CG TRP A 65 7.189 2.892 2.469 1.00 13.34 C ATOM 1077 CD1 TRP A 65 7.349 1.745 3.192 1.00 44.21 C ATOM 1078 CD2 TRP A 65 6.458 3.795 3.305 1.00 11.42 C ATOM 1079 NE1 TRP A 65 6.762 1.881 4.426 1.00 30.31 N ATOM 1080 CE2 TRP A 65 6.209 3.130 4.520 1.00 31.42 C ATOM 1081 CE3 TRP A 65 5.989 5.103 3.144 1.00 24.44 C ATOM 1082 CZ2 TRP A 65 5.512 3.727 5.569 1.00 43.00 C ATOM 1083 CZ3 TRP A 65 5.299 5.695 4.185 1.00 14.02 C ATOM 1084 CH2 TRP A 65 5.065 5.008 5.384 1.00 24.41 C ATOM 0 H TRP A 65 8.636 0.970 0.114 1.00 33.10 H new ATOM 0 HA TRP A 65 5.952 2.149 0.287 1.00 43.43 H new ATOM 0 HB2 TRP A 65 8.755 2.988 1.040 1.00 2.31 H new ATOM 0 HB3 TRP A 65 7.511 4.204 0.832 1.00 2.31 H new ATOM 0 HD1 TRP A 65 7.862 0.860 2.844 1.00 44.21 H new ATOM 0 HE1 TRP A 65 6.741 1.167 5.154 1.00 30.31 H new ATOM 0 HE3 TRP A 65 6.163 5.640 2.223 1.00 24.44 H new ATOM 0 HZ2 TRP A 65 5.331 3.199 6.494 1.00 43.00 H new ATOM 0 HZ3 TRP A 65 4.934 6.705 4.073 1.00 14.02 H new ATOM 0 HH2 TRP A 65 4.521 5.499 6.178 1.00 24.41 H new ATOM 1095 N TRP A 66 5.985 3.608 -1.735 1.00 4.14 N ATOM 1096 CA TRP A 66 5.927 4.298 -3.018 1.00 5.45 C ATOM 1097 C TRP A 66 5.838 5.808 -2.821 1.00 41.24 C ATOM 1098 O TRP A 66 5.314 6.281 -1.811 1.00 41.53 O ATOM 1099 CB TRP A 66 4.729 3.807 -3.832 1.00 4.44 C ATOM 1100 CG TRP A 66 4.767 2.336 -4.113 1.00 54.41 C ATOM 1101 CD1 TRP A 66 5.822 1.491 -3.921 1.00 3.53 C ATOM 1102 CD2 TRP A 66 3.702 1.538 -4.642 1.00 73.14 C ATOM 1103 NE1 TRP A 66 5.476 0.215 -4.298 1.00 62.21 N ATOM 1104 CE2 TRP A 66 4.182 0.216 -4.742 1.00 20.32 C ATOM 1105 CE3 TRP A 66 2.389 1.808 -5.037 1.00 14.23 C ATOM 1106 CZ2 TRP A 66 3.395 -0.826 -5.222 1.00 53.34 C ATOM 1107 CZ3 TRP A 66 1.609 0.773 -5.514 1.00 63.22 C ATOM 1108 CH2 TRP A 66 2.112 -0.532 -5.603 1.00 24.31 C ATOM 0 H TRP A 66 5.129 3.670 -1.184 1.00 4.14 H new ATOM 0 HA TRP A 66 6.844 4.074 -3.563 1.00 5.45 H new ATOM 0 HB2 TRP A 66 3.811 4.044 -3.294 1.00 4.44 H new ATOM 0 HB3 TRP A 66 4.693 4.350 -4.777 1.00 4.44 H new ATOM 0 HD1 TRP A 66 6.786 1.782 -3.531 1.00 3.53 H new ATOM 0 HE1 TRP A 66 6.086 -0.601 -4.254 1.00 62.21 H new ATOM 0 HE3 TRP A 66 1.991 2.810 -4.970 1.00 14.23 H new ATOM 0 HZ2 TRP A 66 3.782 -1.832 -5.292 1.00 53.34 H new ATOM 0 HZ3 TRP A 66 0.594 0.973 -5.824 1.00 63.22 H new ATOM 0 HH2 TRP A 66 1.477 -1.320 -5.979 1.00 24.31 H new ATOM 1119 N ARG A 67 6.353 6.559 -3.789 1.00 2.25 N ATOM 1120 CA ARG A 67 6.332 8.015 -3.719 1.00 63.21 C ATOM 1121 C ARG A 67 5.446 8.599 -4.816 1.00 40.52 C ATOM 1122 O ARG A 67 5.634 8.313 -5.999 1.00 10.12 O ATOM 1123 CB ARG A 67 7.751 8.574 -3.845 1.00 73.44 C ATOM 1124 CG ARG A 67 7.796 10.071 -4.100 1.00 64.11 C ATOM 1125 CD ARG A 67 9.053 10.698 -3.516 1.00 34.03 C ATOM 1126 NE ARG A 67 10.259 9.972 -3.907 1.00 0.03 N ATOM 1127 CZ ARG A 67 11.484 10.333 -3.541 1.00 64.42 C ATOM 1128 NH1 ARG A 67 11.664 11.404 -2.781 1.00 22.13 N ATOM 1129 NH2 ARG A 67 12.531 9.621 -3.935 1.00 53.53 N ATOM 0 H ARG A 67 6.790 6.183 -4.631 1.00 2.25 H new ATOM 0 HA ARG A 67 5.920 8.301 -2.751 1.00 63.21 H new ATOM 0 HB2 ARG A 67 8.302 8.353 -2.931 1.00 73.44 H new ATOM 0 HB3 ARG A 67 8.264 8.060 -4.658 1.00 73.44 H new ATOM 0 HG2 ARG A 67 7.759 10.260 -5.173 1.00 64.11 H new ATOM 0 HG3 ARG A 67 6.916 10.542 -3.663 1.00 64.11 H new ATOM 0 HD2 ARG A 67 9.130 11.733 -3.848 1.00 34.03 H new ATOM 0 HD3 ARG A 67 8.977 10.717 -2.429 1.00 34.03 H new ATOM 0 HE ARG A 67 10.155 9.143 -4.493 1.00 0.03 H new ATOM 0 HH11 ARG A 67 10.861 11.953 -2.476 1.00 22.13 H new ATOM 0 HH12 ARG A 67 12.606 11.679 -2.502 1.00 22.13 H new ATOM 0 HH21 ARG A 67 12.396 8.796 -4.519 1.00 53.53 H new ATOM 0 HH22 ARG A 67 13.471 9.898 -3.654 1.00 53.53 H new ATOM 1143 N VAL A 68 4.479 9.418 -4.416 1.00 3.24 N ATOM 1144 CA VAL A 68 3.564 10.043 -5.363 1.00 52.23 C ATOM 1145 C VAL A 68 3.443 11.540 -5.105 1.00 13.23 C ATOM 1146 O VAL A 68 3.947 12.051 -4.104 1.00 31.21 O ATOM 1147 CB VAL A 68 2.164 9.405 -5.296 1.00 22.33 C ATOM 1148 CG1 VAL A 68 2.233 7.927 -5.646 1.00 31.51 C ATOM 1149 CG2 VAL A 68 1.555 9.607 -3.916 1.00 15.54 C ATOM 0 H VAL A 68 4.309 9.664 -3.441 1.00 3.24 H new ATOM 0 HA VAL A 68 3.980 9.882 -6.358 1.00 52.23 H new ATOM 0 HB VAL A 68 1.523 9.896 -6.028 1.00 22.33 H new ATOM 0 HG11 VAL A 68 1.234 7.494 -5.593 1.00 31.51 H new ATOM 0 HG12 VAL A 68 2.626 7.810 -6.656 1.00 31.51 H new ATOM 0 HG13 VAL A 68 2.888 7.416 -4.940 1.00 31.51 H new ATOM 0 HG21 VAL A 68 0.566 9.151 -3.885 1.00 15.54 H new ATOM 0 HG22 VAL A 68 2.193 9.142 -3.165 1.00 15.54 H new ATOM 0 HG23 VAL A 68 1.469 10.674 -3.709 1.00 15.54 H new ATOM 1159 N ARG A 69 2.772 12.239 -6.014 1.00 53.21 N ATOM 1160 CA ARG A 69 2.585 13.679 -5.884 1.00 41.52 C ATOM 1161 C ARG A 69 1.107 14.046 -5.976 1.00 32.43 C ATOM 1162 O ARG A 69 0.334 13.384 -6.668 1.00 20.24 O ATOM 1163 CB ARG A 69 3.371 14.417 -6.970 1.00 13.11 C ATOM 1164 CG ARG A 69 3.474 15.916 -6.736 1.00 72.23 C ATOM 1165 CD ARG A 69 3.891 16.650 -8.000 1.00 11.44 C ATOM 1166 NE ARG A 69 5.063 17.493 -7.783 1.00 42.24 N ATOM 1167 CZ ARG A 69 5.830 17.952 -8.765 1.00 64.32 C ATOM 1168 NH1 ARG A 69 5.550 17.653 -10.026 1.00 62.45 N ATOM 1169 NH2 ARG A 69 6.879 18.714 -8.487 1.00 4.41 N ATOM 0 H ARG A 69 2.349 11.832 -6.848 1.00 53.21 H new ATOM 0 HA ARG A 69 2.957 13.981 -4.905 1.00 41.52 H new ATOM 0 HB2 ARG A 69 4.375 13.997 -7.028 1.00 13.11 H new ATOM 0 HB3 ARG A 69 2.895 14.240 -7.935 1.00 13.11 H new ATOM 0 HG2 ARG A 69 2.513 16.298 -6.392 1.00 72.23 H new ATOM 0 HG3 ARG A 69 4.197 16.113 -5.944 1.00 72.23 H new ATOM 0 HD2 ARG A 69 4.106 15.925 -8.785 1.00 11.44 H new ATOM 0 HD3 ARG A 69 3.063 17.265 -8.352 1.00 11.44 H new ATOM 0 HE ARG A 69 5.306 17.743 -6.824 1.00 42.24 H new ATOM 0 HH11 ARG A 69 4.743 17.069 -10.244 1.00 62.45 H new ATOM 0 HH12 ARG A 69 6.141 18.007 -10.778 1.00 62.45 H new ATOM 0 HH21 ARG A 69 7.097 18.948 -7.518 1.00 4.41 H new ATOM 0 HH22 ARG A 69 7.468 19.066 -9.242 1.00 4.41 H new ATOM 1183 N ASN A 70 0.720 15.104 -5.270 1.00 74.20 N ATOM 1184 CA ASN A 70 -0.667 15.558 -5.270 1.00 22.25 C ATOM 1185 C ASN A 70 -0.840 16.775 -6.173 1.00 53.35 C ATOM 1186 O ASN A 70 0.110 17.229 -6.810 1.00 51.21 O ATOM 1187 CB ASN A 70 -1.114 15.896 -3.847 1.00 12.34 C ATOM 1188 CG ASN A 70 0.003 16.501 -3.018 1.00 41.33 C ATOM 1189 OD1 ASN A 70 1.000 15.840 -2.725 1.00 64.40 O ATOM 1190 ND2 ASN A 70 -0.159 17.762 -2.637 1.00 44.41 N ATOM 0 H ASN A 70 1.347 15.663 -4.691 1.00 74.20 H new ATOM 0 HA ASN A 70 -1.289 14.750 -5.656 1.00 22.25 H new ATOM 0 HB2 ASN A 70 -1.951 16.593 -3.888 1.00 12.34 H new ATOM 0 HB3 ASN A 70 -1.476 14.991 -3.358 1.00 12.34 H new ATOM 0 HD21 ASN A 70 0.559 18.222 -2.078 1.00 44.41 H new ATOM 0 HD22 ASN A 70 -1.002 18.271 -2.903 1.00 44.41 H new ATOM 1197 N ALA A 71 -2.061 17.298 -6.223 1.00 54.33 N ATOM 1198 CA ALA A 71 -2.359 18.464 -7.046 1.00 72.33 C ATOM 1199 C ALA A 71 -1.630 19.700 -6.532 1.00 41.31 C ATOM 1200 O ALA A 71 -1.526 20.706 -7.232 1.00 2.55 O ATOM 1201 CB ALA A 71 -3.860 18.714 -7.084 1.00 34.40 C ATOM 0 H ALA A 71 -2.859 16.933 -5.704 1.00 54.33 H new ATOM 0 HA ALA A 71 -2.009 18.262 -8.058 1.00 72.33 H new ATOM 0 HB1 ALA A 71 -4.068 19.587 -7.702 1.00 34.40 H new ATOM 0 HB2 ALA A 71 -4.363 17.844 -7.505 1.00 34.40 H new ATOM 0 HB3 ALA A 71 -4.225 18.890 -6.072 1.00 34.40 H new ATOM 1207 N ALA A 72 -1.125 19.617 -5.305 1.00 72.32 N ATOM 1208 CA ALA A 72 -0.403 20.728 -4.698 1.00 51.35 C ATOM 1209 C ALA A 72 1.068 20.712 -5.100 1.00 13.43 C ATOM 1210 O ALA A 72 1.874 21.476 -4.570 1.00 10.10 O ATOM 1211 CB ALA A 72 -0.539 20.682 -3.184 1.00 23.11 C ATOM 0 H ALA A 72 -1.203 18.791 -4.712 1.00 72.32 H new ATOM 0 HA ALA A 72 -0.842 21.657 -5.063 1.00 51.35 H new ATOM 0 HB1 ALA A 72 0.005 21.518 -2.744 1.00 23.11 H new ATOM 0 HB2 ALA A 72 -1.592 20.751 -2.911 1.00 23.11 H new ATOM 0 HB3 ALA A 72 -0.128 19.744 -2.810 1.00 23.11 H new ATOM 1217 N ASN A 73 1.411 19.836 -6.040 1.00 3.44 N ATOM 1218 CA ASN A 73 2.786 19.720 -6.512 1.00 13.25 C ATOM 1219 C ASN A 73 3.702 19.218 -5.399 1.00 73.41 C ATOM 1220 O ASN A 73 4.925 19.290 -5.510 1.00 52.02 O ATOM 1221 CB ASN A 73 3.284 21.071 -7.029 1.00 24.13 C ATOM 1222 CG ASN A 73 2.177 21.897 -7.654 1.00 5.43 C ATOM 1223 OD1 ASN A 73 1.708 22.871 -7.066 1.00 10.44 O ATOM 1224 ND2 ASN A 73 1.754 21.510 -8.851 1.00 62.21 N ATOM 0 H ASN A 73 0.756 19.197 -6.489 1.00 3.44 H new ATOM 0 HA ASN A 73 2.806 18.997 -7.328 1.00 13.25 H new ATOM 0 HB2 ASN A 73 3.729 21.630 -6.206 1.00 24.13 H new ATOM 0 HB3 ASN A 73 4.071 20.907 -7.765 1.00 24.13 H new ATOM 0 HD21 ASN A 73 1.011 22.027 -9.321 1.00 62.21 H new ATOM 0 HD22 ASN A 73 2.172 20.696 -9.301 1.00 62.21 H new ATOM 1231 N ARG A 74 3.100 18.710 -4.330 1.00 34.23 N ATOM 1232 CA ARG A 74 3.861 18.195 -3.197 1.00 2.32 C ATOM 1233 C ARG A 74 4.157 16.708 -3.371 1.00 5.50 C ATOM 1234 O ARG A 74 3.318 15.949 -3.854 1.00 11.11 O ATOM 1235 CB ARG A 74 3.094 18.423 -1.894 1.00 11.34 C ATOM 1236 CG ARG A 74 3.978 18.427 -0.658 1.00 45.34 C ATOM 1237 CD ARG A 74 3.891 19.750 0.087 1.00 51.45 C ATOM 1238 NE ARG A 74 4.079 19.582 1.525 1.00 41.31 N ATOM 1239 CZ ARG A 74 5.246 19.281 2.084 1.00 51.21 C ATOM 1240 NH1 ARG A 74 6.324 19.116 1.328 1.00 33.43 N ATOM 1241 NH2 ARG A 74 5.337 19.144 3.401 1.00 51.44 N ATOM 0 H ARG A 74 2.088 18.643 -4.224 1.00 34.23 H new ATOM 0 HA ARG A 74 4.807 18.734 -3.153 1.00 2.32 H new ATOM 0 HB2 ARG A 74 2.566 19.375 -1.955 1.00 11.34 H new ATOM 0 HB3 ARG A 74 2.338 17.645 -1.787 1.00 11.34 H new ATOM 0 HG2 ARG A 74 3.681 17.615 0.005 1.00 45.34 H new ATOM 0 HG3 ARG A 74 5.012 18.239 -0.948 1.00 45.34 H new ATOM 0 HD2 ARG A 74 4.646 20.434 -0.300 1.00 51.45 H new ATOM 0 HD3 ARG A 74 2.920 20.208 -0.100 1.00 51.45 H new ATOM 0 HE ARG A 74 3.270 19.702 2.134 1.00 41.31 H new ATOM 0 HH11 ARG A 74 6.258 19.220 0.316 1.00 33.43 H new ATOM 0 HH12 ARG A 74 7.219 18.885 1.759 1.00 33.43 H new ATOM 0 HH21 ARG A 74 4.510 19.270 3.985 1.00 51.44 H new ATOM 0 HH22 ARG A 74 6.234 18.913 3.829 1.00 51.44 H new ATOM 1255 N THR A 75 5.358 16.300 -2.975 1.00 24.02 N ATOM 1256 CA THR A 75 5.768 14.906 -3.089 1.00 62.01 C ATOM 1257 C THR A 75 6.090 14.315 -1.721 1.00 72.25 C ATOM 1258 O THR A 75 6.847 14.897 -0.944 1.00 52.23 O ATOM 1259 CB THR A 75 6.998 14.753 -4.004 1.00 33.10 C ATOM 1260 OG1 THR A 75 8.012 15.688 -3.621 1.00 30.55 O ATOM 1261 CG2 THR A 75 6.620 14.977 -5.460 1.00 11.03 C ATOM 0 H THR A 75 6.065 16.916 -2.572 1.00 24.02 H new ATOM 0 HA THR A 75 4.930 14.366 -3.528 1.00 62.01 H new ATOM 0 HB THR A 75 7.380 13.738 -3.896 1.00 33.10 H new ATOM 0 HG1 THR A 75 8.071 15.724 -2.643 1.00 30.55 H new ATOM 0 HG21 THR A 75 7.504 14.864 -6.087 1.00 11.03 H new ATOM 0 HG22 THR A 75 5.868 14.246 -5.757 1.00 11.03 H new ATOM 0 HG23 THR A 75 6.216 15.982 -5.581 1.00 11.03 H new ATOM 1269 N GLY A 76 5.511 13.152 -1.433 1.00 2.05 N ATOM 1270 CA GLY A 76 5.751 12.501 -0.158 1.00 75.44 C ATOM 1271 C GLY A 76 5.859 10.995 -0.289 1.00 23.40 C ATOM 1272 O GLY A 76 5.912 10.462 -1.397 1.00 15.34 O ATOM 0 H GLY A 76 4.881 12.650 -2.059 1.00 2.05 H new ATOM 0 HA2 GLY A 76 6.670 12.892 0.279 1.00 75.44 H new ATOM 0 HA3 GLY A 76 4.942 12.746 0.530 1.00 75.44 H new ATOM 1276 N TYR A 77 5.897 10.306 0.846 1.00 63.11 N ATOM 1277 CA TYR A 77 6.005 8.852 0.854 1.00 22.14 C ATOM 1278 C TYR A 77 4.753 8.215 1.449 1.00 15.31 C ATOM 1279 O TYR A 77 4.055 8.826 2.259 1.00 63.42 O ATOM 1280 CB TYR A 77 7.237 8.416 1.650 1.00 43.10 C ATOM 1281 CG TYR A 77 8.516 8.435 0.843 1.00 61.21 C ATOM 1282 CD1 TYR A 77 8.765 7.469 -0.124 1.00 73.01 C ATOM 1283 CD2 TYR A 77 9.475 9.418 1.048 1.00 25.21 C ATOM 1284 CE1 TYR A 77 9.932 7.482 -0.864 1.00 63.43 C ATOM 1285 CE2 TYR A 77 10.646 9.440 0.313 1.00 34.43 C ATOM 1286 CZ TYR A 77 10.869 8.469 -0.641 1.00 43.51 C ATOM 1287 OH TYR A 77 12.033 8.486 -1.375 1.00 63.31 O ATOM 0 H TYR A 77 5.855 10.731 1.772 1.00 63.11 H new ATOM 0 HA TYR A 77 6.107 8.516 -0.178 1.00 22.14 H new ATOM 0 HB2 TYR A 77 7.352 9.071 2.513 1.00 43.10 H new ATOM 0 HB3 TYR A 77 7.074 7.409 2.034 1.00 43.10 H new ATOM 0 HD1 TYR A 77 8.034 6.694 -0.300 1.00 73.01 H new ATOM 0 HD2 TYR A 77 9.303 10.179 1.795 1.00 25.21 H new ATOM 0 HE1 TYR A 77 10.109 6.724 -1.612 1.00 63.43 H new ATOM 0 HE2 TYR A 77 11.381 10.212 0.485 1.00 34.43 H new ATOM 0 HH TYR A 77 12.585 9.246 -1.096 1.00 63.31 H new ATOM 1297 N VAL A 78 4.473 6.982 1.038 1.00 74.23 N ATOM 1298 CA VAL A 78 3.305 6.260 1.529 1.00 70.23 C ATOM 1299 C VAL A 78 3.481 4.755 1.368 1.00 71.42 C ATOM 1300 O VAL A 78 4.090 4.275 0.412 1.00 53.34 O ATOM 1301 CB VAL A 78 2.023 6.697 0.793 1.00 20.34 C ATOM 1302 CG1 VAL A 78 1.465 7.973 1.404 1.00 24.11 C ATOM 1303 CG2 VAL A 78 2.300 6.883 -0.691 1.00 12.32 C ATOM 0 H VAL A 78 5.039 6.463 0.367 1.00 74.23 H new ATOM 0 HA VAL A 78 3.207 6.501 2.588 1.00 70.23 H new ATOM 0 HB VAL A 78 1.274 5.913 0.905 1.00 20.34 H new ATOM 0 HG11 VAL A 78 0.560 8.266 0.871 1.00 24.11 H new ATOM 0 HG12 VAL A 78 1.228 7.800 2.454 1.00 24.11 H new ATOM 0 HG13 VAL A 78 2.206 8.768 1.325 1.00 24.11 H new ATOM 0 HG21 VAL A 78 1.385 7.191 -1.196 1.00 12.32 H new ATOM 0 HG22 VAL A 78 3.064 7.648 -0.825 1.00 12.32 H new ATOM 0 HG23 VAL A 78 2.650 5.942 -1.117 1.00 12.32 H new ATOM 1313 N PRO A 79 2.938 3.989 2.325 1.00 14.13 N ATOM 1314 CA PRO A 79 3.020 2.525 2.312 1.00 62.04 C ATOM 1315 C PRO A 79 2.178 1.907 1.202 1.00 22.12 C ATOM 1316 O PRO A 79 0.981 2.175 1.095 1.00 64.14 O ATOM 1317 CB PRO A 79 2.473 2.127 3.684 1.00 12.31 C ATOM 1318 CG PRO A 79 1.581 3.252 4.078 1.00 73.31 C ATOM 1319 CD PRO A 79 2.197 4.493 3.494 1.00 45.21 C ATOM 0 HA PRO A 79 4.035 2.175 2.125 1.00 62.04 H new ATOM 0 HB2 PRO A 79 1.925 1.186 3.634 1.00 12.31 H new ATOM 0 HB3 PRO A 79 3.278 1.989 4.406 1.00 12.31 H new ATOM 0 HG2 PRO A 79 0.571 3.101 3.697 1.00 73.31 H new ATOM 0 HG3 PRO A 79 1.504 3.328 5.163 1.00 73.31 H new ATOM 0 HD2 PRO A 79 1.438 5.221 3.206 1.00 45.21 H new ATOM 0 HD3 PRO A 79 2.858 4.987 4.206 1.00 45.21 H new ATOM 1327 N SER A 80 2.811 1.078 0.377 1.00 40.21 N ATOM 1328 CA SER A 80 2.120 0.424 -0.728 1.00 22.34 C ATOM 1329 C SER A 80 0.974 -0.443 -0.215 1.00 33.20 C ATOM 1330 O SER A 80 0.075 -0.813 -0.969 1.00 12.41 O ATOM 1331 CB SER A 80 3.099 -0.430 -1.535 1.00 54.45 C ATOM 1332 OG SER A 80 3.557 -1.536 -0.777 1.00 4.55 O ATOM 0 H SER A 80 3.801 0.844 0.453 1.00 40.21 H new ATOM 0 HA SER A 80 1.706 1.198 -1.374 1.00 22.34 H new ATOM 0 HB2 SER A 80 2.613 -0.785 -2.444 1.00 54.45 H new ATOM 0 HB3 SER A 80 3.948 0.179 -1.844 1.00 54.45 H new ATOM 0 HG SER A 80 4.443 -1.336 -0.409 1.00 4.55 H new ATOM 1338 N ASN A 81 1.015 -0.764 1.074 1.00 33.14 N ATOM 1339 CA ASN A 81 -0.019 -1.588 1.689 1.00 31.14 C ATOM 1340 C ASN A 81 -1.320 -0.805 1.843 1.00 25.34 C ATOM 1341 O ASN A 81 -2.407 -1.382 1.850 1.00 51.04 O ATOM 1342 CB ASN A 81 0.448 -2.095 3.055 1.00 23.22 C ATOM 1343 CG ASN A 81 1.193 -3.412 2.959 1.00 11.11 C ATOM 1344 OD1 ASN A 81 1.370 -3.960 1.871 1.00 1.30 O ATOM 1345 ND2 ASN A 81 1.633 -3.928 4.101 1.00 61.21 N ATOM 0 H ASN A 81 1.753 -0.466 1.712 1.00 33.14 H new ATOM 0 HA ASN A 81 -0.204 -2.441 1.036 1.00 31.14 H new ATOM 0 HB2 ASN A 81 1.094 -1.348 3.515 1.00 23.22 H new ATOM 0 HB3 ASN A 81 -0.415 -2.216 3.709 1.00 23.22 H new ATOM 0 HD21 ASN A 81 2.140 -4.813 4.099 1.00 61.21 H new ATOM 0 HD22 ASN A 81 1.464 -3.439 4.980 1.00 61.21 H new ATOM 1352 N TYR A 82 -1.199 0.512 1.967 1.00 15.22 N ATOM 1353 CA TYR A 82 -2.364 1.375 2.123 1.00 73.42 C ATOM 1354 C TYR A 82 -2.746 2.019 0.793 1.00 22.11 C ATOM 1355 O TYR A 82 -3.636 2.867 0.734 1.00 15.03 O ATOM 1356 CB TYR A 82 -2.087 2.459 3.166 1.00 61.11 C ATOM 1357 CG TYR A 82 -1.882 1.916 4.563 1.00 52.35 C ATOM 1358 CD1 TYR A 82 -0.737 1.202 4.892 1.00 33.22 C ATOM 1359 CD2 TYR A 82 -2.836 2.118 5.554 1.00 44.33 C ATOM 1360 CE1 TYR A 82 -0.548 0.703 6.166 1.00 22.45 C ATOM 1361 CE2 TYR A 82 -2.654 1.625 6.831 1.00 43.11 C ATOM 1362 CZ TYR A 82 -1.508 0.918 7.132 1.00 15.30 C ATOM 1363 OH TYR A 82 -1.322 0.426 8.403 1.00 63.14 O ATOM 0 H TYR A 82 -0.306 1.005 1.963 1.00 15.22 H new ATOM 0 HA TYR A 82 -3.197 0.760 2.462 1.00 73.42 H new ATOM 0 HB2 TYR A 82 -1.200 3.019 2.869 1.00 61.11 H new ATOM 0 HB3 TYR A 82 -2.920 3.162 3.177 1.00 61.11 H new ATOM 0 HD1 TYR A 82 0.019 1.034 4.139 1.00 33.22 H new ATOM 0 HD2 TYR A 82 -3.735 2.670 5.321 1.00 44.33 H new ATOM 0 HE1 TYR A 82 0.347 0.147 6.404 1.00 22.45 H new ATOM 0 HE2 TYR A 82 -3.404 1.792 7.590 1.00 43.11 H new ATOM 0 HH TYR A 82 -1.143 -0.536 8.358 1.00 63.14 H new ATOM 1373 N VAL A 83 -2.067 1.609 -0.272 1.00 41.11 N ATOM 1374 CA VAL A 83 -2.335 2.143 -1.602 1.00 24.13 C ATOM 1375 C VAL A 83 -2.427 1.026 -2.635 1.00 74.12 C ATOM 1376 O VAL A 83 -1.932 -0.079 -2.413 1.00 40.51 O ATOM 1377 CB VAL A 83 -1.245 3.141 -2.037 1.00 64.11 C ATOM 1378 CG1 VAL A 83 -0.153 2.429 -2.822 1.00 0.03 C ATOM 1379 CG2 VAL A 83 -1.852 4.270 -2.856 1.00 25.13 C ATOM 0 H VAL A 83 -1.327 0.908 -0.240 1.00 41.11 H new ATOM 0 HA VAL A 83 -3.292 2.663 -1.547 1.00 24.13 H new ATOM 0 HB VAL A 83 -0.795 3.573 -1.143 1.00 64.11 H new ATOM 0 HG11 VAL A 83 0.608 3.149 -3.121 1.00 0.03 H new ATOM 0 HG12 VAL A 83 0.301 1.659 -2.198 1.00 0.03 H new ATOM 0 HG13 VAL A 83 -0.585 1.968 -3.710 1.00 0.03 H new ATOM 0 HG21 VAL A 83 -1.068 4.965 -3.155 1.00 25.13 H new ATOM 0 HG22 VAL A 83 -2.330 3.858 -3.745 1.00 25.13 H new ATOM 0 HG23 VAL A 83 -2.594 4.796 -2.256 1.00 25.13 H new ATOM 1389 N GLU A 84 -3.065 1.322 -3.764 1.00 60.30 N ATOM 1390 CA GLU A 84 -3.221 0.341 -4.832 1.00 33.14 C ATOM 1391 C GLU A 84 -3.513 1.029 -6.163 1.00 63.31 C ATOM 1392 O GLU A 84 -4.573 1.628 -6.344 1.00 2.45 O ATOM 1393 CB GLU A 84 -4.348 -0.638 -4.493 1.00 64.33 C ATOM 1394 CG GLU A 84 -5.702 0.027 -4.324 1.00 53.22 C ATOM 1395 CD GLU A 84 -6.614 -0.197 -5.514 1.00 53.20 C ATOM 1396 OE1 GLU A 84 -6.097 -0.475 -6.616 1.00 51.23 O ATOM 1397 OE2 GLU A 84 -7.847 -0.096 -5.344 1.00 33.31 O ATOM 0 H GLU A 84 -3.481 2.232 -3.962 1.00 60.30 H new ATOM 0 HA GLU A 84 -2.285 -0.211 -4.925 1.00 33.14 H new ATOM 0 HB2 GLU A 84 -4.417 -1.387 -5.282 1.00 64.33 H new ATOM 0 HB3 GLU A 84 -4.095 -1.166 -3.574 1.00 64.33 H new ATOM 0 HG2 GLU A 84 -6.183 -0.359 -3.425 1.00 53.22 H new ATOM 0 HG3 GLU A 84 -5.561 1.098 -4.175 1.00 53.22 H new ATOM 1404 N ARG A 85 -2.566 0.935 -7.090 1.00 50.22 N ATOM 1405 CA ARG A 85 -2.720 1.549 -8.404 1.00 61.34 C ATOM 1406 C ARG A 85 -4.008 1.081 -9.074 1.00 55.34 C ATOM 1407 O ARG A 85 -4.581 0.058 -8.697 1.00 13.42 O ATOM 1408 CB ARG A 85 -1.519 1.213 -9.291 1.00 33.50 C ATOM 1409 CG ARG A 85 -1.183 -0.270 -9.325 1.00 13.42 C ATOM 1410 CD ARG A 85 -2.137 -1.037 -10.227 1.00 35.22 C ATOM 1411 NE ARG A 85 -2.940 -2.001 -9.480 1.00 21.15 N ATOM 1412 CZ ARG A 85 -2.515 -3.216 -9.153 1.00 63.05 C ATOM 1413 NH1 ARG A 85 -1.300 -3.614 -9.507 1.00 24.14 N ATOM 1414 NH2 ARG A 85 -3.303 -4.037 -8.473 1.00 34.21 N ATOM 0 H ARG A 85 -1.684 0.440 -6.956 1.00 50.22 H new ATOM 0 HA ARG A 85 -2.772 2.629 -8.270 1.00 61.34 H new ATOM 0 HB2 ARG A 85 -1.721 1.555 -10.306 1.00 33.50 H new ATOM 0 HB3 ARG A 85 -0.649 1.766 -8.936 1.00 33.50 H new ATOM 0 HG2 ARG A 85 -0.160 -0.404 -9.677 1.00 13.42 H new ATOM 0 HG3 ARG A 85 -1.228 -0.678 -8.315 1.00 13.42 H new ATOM 0 HD2 ARG A 85 -2.796 -0.335 -10.738 1.00 35.22 H new ATOM 0 HD3 ARG A 85 -1.568 -1.558 -10.997 1.00 35.22 H new ATOM 0 HE ARG A 85 -3.879 -1.726 -9.193 1.00 21.15 H new ATOM 0 HH11 ARG A 85 -0.690 -2.986 -10.031 1.00 24.14 H new ATOM 0 HH12 ARG A 85 -0.975 -4.548 -9.255 1.00 24.14 H new ATOM 0 HH21 ARG A 85 -4.238 -3.736 -8.200 1.00 34.21 H new ATOM 0 HH22 ARG A 85 -2.974 -4.970 -8.223 1.00 34.21 H new ATOM 1428 N LYS A 86 -4.458 1.835 -10.072 1.00 24.11 N ATOM 1429 CA LYS A 86 -5.678 1.499 -10.796 1.00 33.40 C ATOM 1430 C LYS A 86 -5.402 0.448 -11.866 1.00 72.33 C ATOM 1431 O LYS A 86 -4.915 0.765 -12.952 1.00 22.41 O ATOM 1432 CB LYS A 86 -6.274 2.753 -11.439 1.00 54.01 C ATOM 1433 CG LYS A 86 -7.782 2.687 -11.616 1.00 22.51 C ATOM 1434 CD LYS A 86 -8.163 1.945 -12.886 1.00 70.44 C ATOM 1435 CE LYS A 86 -9.659 1.674 -12.945 1.00 63.01 C ATOM 1436 NZ LYS A 86 -9.961 0.216 -12.908 1.00 33.01 N ATOM 0 H LYS A 86 -3.995 2.684 -10.398 1.00 24.11 H new ATOM 0 HA LYS A 86 -6.394 1.088 -10.084 1.00 33.40 H new ATOM 0 HB2 LYS A 86 -6.026 3.619 -10.825 1.00 54.01 H new ATOM 0 HB3 LYS A 86 -5.809 2.908 -12.412 1.00 54.01 H new ATOM 0 HG2 LYS A 86 -8.229 2.190 -10.755 1.00 22.51 H new ATOM 0 HG3 LYS A 86 -8.190 3.697 -11.648 1.00 22.51 H new ATOM 0 HD2 LYS A 86 -7.864 2.531 -13.755 1.00 70.44 H new ATOM 0 HD3 LYS A 86 -7.619 1.002 -12.935 1.00 70.44 H new ATOM 0 HE2 LYS A 86 -10.151 2.168 -12.107 1.00 63.01 H new ATOM 0 HE3 LYS A 86 -10.071 2.107 -13.857 1.00 63.01 H new ATOM 0 HZ1 LYS A 86 -10.990 0.074 -12.950 1.00 33.01 H new ATOM 0 HZ2 LYS A 86 -9.513 -0.252 -13.722 1.00 33.01 H new ATOM 0 HZ3 LYS A 86 -9.591 -0.193 -12.026 1.00 33.01 H new