USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 62:sc= 1 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -135:sc= 1.67 (180deg=-0.259) USER MOD Set 2.1: A 43 TYR OH : rot 23:sc= 0.785 USER MOD Set 2.2: A 65 GLN :FLIP amide:sc= -0.0923 F(o=-0.49,f=0.69) USER MOD Set 3.1: A 10 TYR OH : rot 31:sc= -0.0436 USER MOD Set 3.2: A 14 GLN : amide:sc=-0.000528 X(o=-0.99,f=-0.99) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -0.946 K(o=-0.99,f=-1.6) USER MOD Single : A 8 THR OG1 : rot -179:sc= -0.615 USER MOD Single : A 16 HIS :FLIP no HE2:sc= 0.286 F(o=-1.6,f=0.29) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= 1.29 (180deg=1.21) USER MOD Single : A 19 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.19) USER MOD Single : A 21 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -71:sc= 0.743 USER MOD Single : A 39 TYR OH : rot -170:sc= 0.037 USER MOD Single : A 42 THR OG1 : rot 63:sc= 0.121! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 77:sc= 0.945 USER MOD Single : A 63 TYR OH : rot -156:sc= 0.65 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -1.15 F(o=-2.5!,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= 0.932 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 2.078 -0.982 -4.349 1.00 4.44 N ATOM 19 CA ASP A 2 1.646 -1.965 -5.343 1.00 24.42 C ATOM 20 C ASP A 2 2.531 -1.874 -6.597 1.00 61.23 C ATOM 21 O ASP A 2 3.227 -0.875 -6.796 1.00 73.51 O ATOM 22 CB ASP A 2 0.184 -1.708 -5.732 1.00 13.15 C ATOM 23 CG ASP A 2 -0.765 -1.803 -4.554 1.00 40.23 C ATOM 24 OD1 ASP A 2 -0.891 -0.813 -3.807 1.00 71.22 O ATOM 25 OD2 ASP A 2 -1.395 -2.866 -4.373 1.00 23.13 O ATOM 0 HA ASP A 2 1.737 -2.961 -4.911 1.00 24.42 H new ATOM 0 HB2 ASP A 2 0.101 -0.718 -6.180 1.00 13.15 H new ATOM 0 HB3 ASP A 2 -0.116 -2.428 -6.493 1.00 13.15 H new ATOM 30 N PRO A 3 2.517 -2.903 -7.475 1.00 42.15 N ATOM 31 CA PRO A 3 3.212 -2.833 -8.777 1.00 52.31 C ATOM 32 C PRO A 3 2.685 -1.673 -9.644 1.00 2.32 C ATOM 33 O PRO A 3 3.285 -1.301 -10.655 1.00 31.45 O ATOM 34 CB PRO A 3 2.904 -4.196 -9.430 1.00 62.32 C ATOM 35 CG PRO A 3 1.725 -4.733 -8.681 1.00 2.25 C ATOM 36 CD PRO A 3 1.855 -4.207 -7.278 1.00 32.32 C ATOM 0 HA PRO A 3 4.280 -2.645 -8.666 1.00 52.31 H new ATOM 0 HB2 PRO A 3 2.678 -4.083 -10.490 1.00 62.32 H new ATOM 0 HB3 PRO A 3 3.758 -4.870 -9.356 1.00 62.32 H new ATOM 0 HG2 PRO A 3 0.790 -4.405 -9.136 1.00 2.25 H new ATOM 0 HG3 PRO A 3 1.719 -5.823 -8.691 1.00 2.25 H new ATOM 0 HD2 PRO A 3 0.884 -4.098 -6.796 1.00 32.32 H new ATOM 0 HD3 PRO A 3 2.450 -4.871 -6.651 1.00 32.32 H new ATOM 44 N GLU A 4 1.549 -1.114 -9.221 1.00 70.34 N ATOM 45 CA GLU A 4 0.916 0.023 -9.895 1.00 31.20 C ATOM 46 C GLU A 4 1.706 1.326 -9.674 1.00 3.22 C ATOM 47 O GLU A 4 1.787 2.167 -10.571 1.00 13.32 O ATOM 48 CB GLU A 4 -0.520 0.195 -9.378 1.00 4.42 C ATOM 49 CG GLU A 4 -1.349 -1.085 -9.430 1.00 44.24 C ATOM 50 CD GLU A 4 -2.743 -0.910 -8.852 1.00 33.24 C ATOM 51 OE1 GLU A 4 -2.879 -0.893 -7.610 1.00 50.20 O ATOM 52 OE2 GLU A 4 -3.708 -0.783 -9.635 1.00 42.53 O ATOM 0 H GLU A 4 1.040 -1.438 -8.399 1.00 70.34 H new ATOM 0 HA GLU A 4 0.905 -0.185 -10.965 1.00 31.20 H new ATOM 0 HB2 GLU A 4 -0.486 0.553 -8.349 1.00 4.42 H new ATOM 0 HB3 GLU A 4 -1.019 0.965 -9.967 1.00 4.42 H new ATOM 0 HG2 GLU A 4 -1.429 -1.418 -10.465 1.00 44.24 H new ATOM 0 HG3 GLU A 4 -0.830 -1.871 -8.882 1.00 44.24 H new ATOM 59 N ASP A 5 2.281 1.489 -8.474 1.00 64.00 N ATOM 60 CA ASP A 5 3.086 2.678 -8.156 1.00 52.01 C ATOM 61 C ASP A 5 4.230 2.860 -9.173 1.00 71.21 C ATOM 62 O ASP A 5 5.063 1.963 -9.343 1.00 55.23 O ATOM 63 CB ASP A 5 3.667 2.584 -6.734 1.00 11.31 C ATOM 64 CG ASP A 5 2.612 2.732 -5.646 1.00 3.51 C ATOM 65 OD1 ASP A 5 2.093 3.852 -5.468 1.00 33.52 O ATOM 66 OD2 ASP A 5 2.311 1.729 -4.957 1.00 4.42 O ATOM 0 H ASP A 5 2.205 0.817 -7.711 1.00 64.00 H new ATOM 0 HA ASP A 5 2.426 3.544 -8.211 1.00 52.01 H new ATOM 0 HB2 ASP A 5 4.169 1.624 -6.616 1.00 11.31 H new ATOM 0 HB3 ASP A 5 4.424 3.358 -6.605 1.00 11.31 H new ATOM 71 N PRO A 6 4.286 4.023 -9.864 1.00 21.53 N ATOM 72 CA PRO A 6 5.303 4.296 -10.892 1.00 42.32 C ATOM 73 C PRO A 6 6.733 3.963 -10.433 1.00 73.12 C ATOM 74 O PRO A 6 7.500 3.355 -11.178 1.00 13.22 O ATOM 75 CB PRO A 6 5.151 5.804 -11.183 1.00 15.34 C ATOM 76 CG PRO A 6 4.207 6.325 -10.146 1.00 62.44 C ATOM 77 CD PRO A 6 3.364 5.158 -9.710 1.00 64.34 C ATOM 0 HA PRO A 6 5.151 3.670 -11.771 1.00 42.32 H new ATOM 0 HB2 PRO A 6 6.114 6.312 -11.126 1.00 15.34 H new ATOM 0 HB3 PRO A 6 4.761 5.971 -12.187 1.00 15.34 H new ATOM 0 HG2 PRO A 6 4.753 6.746 -9.302 1.00 62.44 H new ATOM 0 HG3 PRO A 6 3.585 7.122 -10.553 1.00 62.44 H new ATOM 0 HD2 PRO A 6 3.023 5.266 -8.681 1.00 64.34 H new ATOM 0 HD3 PRO A 6 2.475 5.046 -10.331 1.00 64.34 H new ATOM 85 N PHE A 7 7.082 4.341 -9.203 1.00 40.32 N ATOM 86 CA PHE A 7 8.417 4.051 -8.667 1.00 24.52 C ATOM 87 C PHE A 7 8.629 2.542 -8.444 1.00 42.53 C ATOM 88 O PHE A 7 9.721 2.024 -8.675 1.00 15.10 O ATOM 89 CB PHE A 7 8.661 4.813 -7.358 1.00 22.33 C ATOM 90 CG PHE A 7 10.033 4.566 -6.774 1.00 61.34 C ATOM 91 CD1 PHE A 7 11.161 5.121 -7.363 1.00 74.42 C ATOM 92 CD2 PHE A 7 10.197 3.767 -5.648 1.00 5.13 C ATOM 93 CE1 PHE A 7 12.420 4.888 -6.842 1.00 13.22 C ATOM 94 CE2 PHE A 7 11.456 3.532 -5.123 1.00 52.31 C ATOM 95 CZ PHE A 7 12.569 4.092 -5.721 1.00 14.34 C ATOM 0 H PHE A 7 6.468 4.844 -8.563 1.00 40.32 H new ATOM 0 HA PHE A 7 9.138 4.387 -9.412 1.00 24.52 H new ATOM 0 HB2 PHE A 7 8.536 5.881 -7.538 1.00 22.33 H new ATOM 0 HB3 PHE A 7 7.905 4.522 -6.629 1.00 22.33 H new ATOM 0 HD1 PHE A 7 11.053 5.743 -8.239 1.00 74.42 H new ATOM 0 HD2 PHE A 7 9.332 3.324 -5.177 1.00 5.13 H new ATOM 0 HE1 PHE A 7 13.288 5.328 -7.311 1.00 13.22 H new ATOM 0 HE2 PHE A 7 11.569 2.911 -4.246 1.00 52.31 H new ATOM 0 HZ PHE A 7 13.552 3.908 -5.314 1.00 14.34 H new ATOM 105 N THR A 8 7.589 1.838 -7.994 1.00 31.55 N ATOM 106 CA THR A 8 7.693 0.393 -7.735 1.00 14.21 C ATOM 107 C THR A 8 7.982 -0.379 -9.028 1.00 75.41 C ATOM 108 O THR A 8 8.975 -1.097 -9.128 1.00 25.15 O ATOM 109 CB THR A 8 6.398 -0.172 -7.097 1.00 65.32 C ATOM 110 OG1 THR A 8 6.080 0.550 -5.897 1.00 54.43 O ATOM 111 CG2 THR A 8 6.541 -1.658 -6.768 1.00 15.02 C ATOM 0 H THR A 8 6.670 2.237 -7.801 1.00 31.55 H new ATOM 0 HA THR A 8 8.519 0.262 -7.036 1.00 14.21 H new ATOM 0 HB THR A 8 5.594 -0.053 -7.823 1.00 65.32 H new ATOM 0 HG1 THR A 8 5.268 0.175 -5.495 1.00 54.43 H new ATOM 0 HG21 THR A 8 5.616 -2.023 -6.322 1.00 15.02 H new ATOM 0 HG22 THR A 8 6.747 -2.215 -7.682 1.00 15.02 H new ATOM 0 HG23 THR A 8 7.362 -1.798 -6.065 1.00 15.02 H new ATOM 119 N ARG A 9 7.116 -0.205 -10.024 1.00 30.40 N ATOM 120 CA ARG A 9 7.291 -0.846 -11.338 1.00 73.32 C ATOM 121 C ARG A 9 8.620 -0.435 -12.004 1.00 2.32 C ATOM 122 O ARG A 9 9.254 -1.230 -12.698 1.00 30.20 O ATOM 123 CB ARG A 9 6.092 -0.506 -12.241 1.00 31.51 C ATOM 124 CG ARG A 9 5.729 0.980 -12.248 1.00 34.23 C ATOM 125 CD ARG A 9 4.341 1.247 -12.832 1.00 2.41 C ATOM 126 NE ARG A 9 4.319 1.185 -14.292 1.00 10.04 N ATOM 127 CZ ARG A 9 3.989 0.132 -14.987 1.00 4.43 C ATOM 128 NH1 ARG A 9 3.669 -0.980 -14.404 1.00 23.11 N ATOM 129 NH2 ARG A 9 3.960 0.200 -16.274 1.00 24.25 N ATOM 0 H ARG A 9 6.281 0.376 -9.951 1.00 30.40 H new ATOM 0 HA ARG A 9 7.333 -1.925 -11.190 1.00 73.32 H new ATOM 0 HB2 ARG A 9 6.315 -0.821 -13.260 1.00 31.51 H new ATOM 0 HB3 ARG A 9 5.226 -1.081 -11.912 1.00 31.51 H new ATOM 0 HG2 ARG A 9 5.770 1.364 -11.229 1.00 34.23 H new ATOM 0 HG3 ARG A 9 6.473 1.529 -12.825 1.00 34.23 H new ATOM 0 HD2 ARG A 9 3.637 0.518 -12.431 1.00 2.41 H new ATOM 0 HD3 ARG A 9 3.999 2.231 -12.510 1.00 2.41 H new ATOM 0 HE ARG A 9 4.581 2.027 -14.805 1.00 10.04 H new ATOM 0 HH11 ARG A 9 3.673 -1.041 -13.386 1.00 23.11 H new ATOM 0 HH12 ARG A 9 3.413 -1.794 -14.963 1.00 23.11 H new ATOM 0 HH21 ARG A 9 4.195 1.074 -16.744 1.00 24.25 H new ATOM 0 HH22 ARG A 9 3.703 -0.621 -16.822 1.00 24.25 H new ATOM 143 N TYR A 10 9.035 0.808 -11.769 1.00 32.35 N ATOM 144 CA TYR A 10 10.311 1.327 -12.281 1.00 52.41 C ATOM 145 C TYR A 10 11.516 0.623 -11.626 1.00 14.01 C ATOM 146 O TYR A 10 12.410 0.118 -12.311 1.00 11.51 O ATOM 147 CB TYR A 10 10.367 2.840 -12.028 1.00 24.44 C ATOM 148 CG TYR A 10 11.677 3.508 -12.403 1.00 3.12 C ATOM 149 CD1 TYR A 10 12.015 3.734 -13.734 1.00 53.13 C ATOM 150 CD2 TYR A 10 12.566 3.935 -11.420 1.00 35.13 C ATOM 151 CE1 TYR A 10 13.194 4.365 -14.071 1.00 14.51 C ATOM 152 CE2 TYR A 10 13.749 4.562 -11.752 1.00 12.11 C ATOM 153 CZ TYR A 10 14.057 4.775 -13.077 1.00 71.04 C ATOM 154 OH TYR A 10 15.230 5.411 -13.412 1.00 3.44 O ATOM 0 H TYR A 10 8.503 1.484 -11.222 1.00 32.35 H new ATOM 0 HA TYR A 10 10.368 1.126 -13.351 1.00 52.41 H new ATOM 0 HB2 TYR A 10 9.561 3.316 -12.587 1.00 24.44 H new ATOM 0 HB3 TYR A 10 10.173 3.023 -10.971 1.00 24.44 H new ATOM 0 HD1 TYR A 10 11.343 3.410 -14.515 1.00 53.13 H new ATOM 0 HD2 TYR A 10 12.325 3.773 -10.380 1.00 35.13 H new ATOM 0 HE1 TYR A 10 13.440 4.537 -15.108 1.00 14.51 H new ATOM 0 HE2 TYR A 10 14.429 4.884 -10.977 1.00 12.11 H new ATOM 0 HH TYR A 10 15.101 5.920 -14.240 1.00 3.44 H new ATOM 164 N ALA A 11 11.525 0.589 -10.294 1.00 14.40 N ATOM 165 CA ALA A 11 12.614 -0.035 -9.534 1.00 32.45 C ATOM 166 C ALA A 11 12.716 -1.542 -9.817 1.00 5.12 C ATOM 167 O ALA A 11 13.807 -2.068 -10.055 1.00 11.01 O ATOM 168 CB ALA A 11 12.422 0.217 -8.041 1.00 43.33 C ATOM 0 H ALA A 11 10.787 0.988 -9.714 1.00 14.40 H new ATOM 0 HA ALA A 11 13.550 0.421 -9.856 1.00 32.45 H new ATOM 0 HB1 ALA A 11 13.235 -0.250 -7.486 1.00 43.33 H new ATOM 0 HB2 ALA A 11 12.422 1.290 -7.850 1.00 43.33 H new ATOM 0 HB3 ALA A 11 11.472 -0.209 -7.719 1.00 43.33 H new ATOM 174 N LEU A 12 11.574 -2.230 -9.801 1.00 45.31 N ATOM 175 CA LEU A 12 11.533 -3.669 -10.091 1.00 31.04 C ATOM 176 C LEU A 12 12.130 -3.986 -11.472 1.00 71.34 C ATOM 177 O LEU A 12 12.756 -5.030 -11.659 1.00 44.01 O ATOM 178 CB LEU A 12 10.093 -4.210 -9.987 1.00 12.43 C ATOM 179 CG LEU A 12 9.665 -4.701 -8.588 1.00 1.34 C ATOM 180 CD1 LEU A 12 10.501 -5.907 -8.164 1.00 74.50 C ATOM 181 CD2 LEU A 12 9.774 -3.582 -7.553 1.00 72.14 C ATOM 0 H LEU A 12 10.665 -1.818 -9.591 1.00 45.31 H new ATOM 0 HA LEU A 12 12.146 -4.170 -9.341 1.00 31.04 H new ATOM 0 HB2 LEU A 12 9.405 -3.426 -10.303 1.00 12.43 H new ATOM 0 HB3 LEU A 12 9.982 -5.034 -10.691 1.00 12.43 H new ATOM 0 HG LEU A 12 8.620 -5.005 -8.644 1.00 1.34 H new ATOM 0 HD11 LEU A 12 10.185 -6.239 -7.175 1.00 74.50 H new ATOM 0 HD12 LEU A 12 10.361 -6.716 -8.881 1.00 74.50 H new ATOM 0 HD13 LEU A 12 11.554 -5.627 -8.133 1.00 74.50 H new ATOM 0 HD21 LEU A 12 9.466 -3.958 -6.577 1.00 72.14 H new ATOM 0 HD22 LEU A 12 10.806 -3.235 -7.499 1.00 72.14 H new ATOM 0 HD23 LEU A 12 9.128 -2.754 -7.843 1.00 72.14 H new ATOM 193 N ALA A 13 11.941 -3.084 -12.432 1.00 62.54 N ATOM 194 CA ALA A 13 12.545 -3.234 -13.759 1.00 24.54 C ATOM 195 C ALA A 13 14.067 -3.432 -13.657 1.00 62.23 C ATOM 196 O ALA A 13 14.629 -4.356 -14.252 1.00 53.22 O ATOM 197 CB ALA A 13 12.214 -2.026 -14.626 1.00 61.53 C ATOM 0 H ALA A 13 11.376 -2.242 -12.319 1.00 62.54 H new ATOM 0 HA ALA A 13 12.126 -4.125 -14.227 1.00 24.54 H new ATOM 0 HB1 ALA A 13 12.668 -2.149 -15.609 1.00 61.53 H new ATOM 0 HB2 ALA A 13 11.133 -1.941 -14.734 1.00 61.53 H new ATOM 0 HB3 ALA A 13 12.604 -1.123 -14.156 1.00 61.53 H new ATOM 203 N GLN A 14 14.724 -2.580 -12.872 1.00 21.32 N ATOM 204 CA GLN A 14 16.169 -2.697 -12.655 1.00 55.22 C ATOM 205 C GLN A 14 16.511 -3.961 -11.847 1.00 73.10 C ATOM 206 O GLN A 14 17.547 -4.589 -12.070 1.00 72.01 O ATOM 207 CB GLN A 14 16.718 -1.450 -11.952 1.00 75.01 C ATOM 208 CG GLN A 14 16.504 -0.161 -12.741 1.00 60.42 C ATOM 209 CD GLN A 14 17.295 1.010 -12.184 1.00 1.53 C ATOM 210 OE1 GLN A 14 16.823 1.750 -11.331 1.00 53.13 O ATOM 211 NE2 GLN A 14 18.508 1.188 -12.671 1.00 60.32 N ATOM 0 H GLN A 14 14.284 -1.804 -12.377 1.00 21.32 H new ATOM 0 HA GLN A 14 16.643 -2.781 -13.633 1.00 55.22 H new ATOM 0 HB2 GLN A 14 16.241 -1.353 -10.977 1.00 75.01 H new ATOM 0 HB3 GLN A 14 17.785 -1.584 -11.773 1.00 75.01 H new ATOM 0 HG2 GLN A 14 16.790 -0.325 -13.780 1.00 60.42 H new ATOM 0 HG3 GLN A 14 15.443 0.089 -12.738 1.00 60.42 H new ATOM 0 HE21 GLN A 14 18.871 0.552 -13.381 1.00 60.32 H new ATOM 0 HE22 GLN A 14 19.083 1.961 -12.337 1.00 60.32 H new ATOM 220 N GLU A 15 15.632 -4.336 -10.912 1.00 72.42 N ATOM 221 CA GLU A 15 15.792 -5.592 -10.165 1.00 34.14 C ATOM 222 C GLU A 15 15.854 -6.790 -11.123 1.00 70.03 C ATOM 223 O GLU A 15 16.658 -7.702 -10.938 1.00 70.11 O ATOM 224 CB GLU A 15 14.647 -5.791 -9.159 1.00 14.31 C ATOM 225 CG GLU A 15 14.539 -4.692 -8.107 1.00 75.35 C ATOM 226 CD GLU A 15 15.797 -4.546 -7.262 1.00 13.40 C ATOM 227 OE1 GLU A 15 16.029 -5.394 -6.374 1.00 12.12 O ATOM 228 OE2 GLU A 15 16.554 -3.577 -7.473 1.00 12.13 O ATOM 0 H GLU A 15 14.807 -3.794 -10.654 1.00 72.42 H new ATOM 0 HA GLU A 15 16.730 -5.528 -9.614 1.00 34.14 H new ATOM 0 HB2 GLU A 15 13.705 -5.849 -9.705 1.00 14.31 H new ATOM 0 HB3 GLU A 15 14.783 -6.748 -8.655 1.00 14.31 H new ATOM 0 HG2 GLU A 15 14.329 -3.744 -8.602 1.00 75.35 H new ATOM 0 HG3 GLU A 15 13.693 -4.905 -7.454 1.00 75.35 H new ATOM 235 N HIS A 16 15.004 -6.778 -12.155 1.00 21.11 N ATOM 236 CA HIS A 16 15.045 -7.814 -13.196 1.00 34.10 C ATOM 237 C HIS A 16 16.438 -7.892 -13.840 1.00 21.05 C ATOM 238 O HIS A 16 16.991 -8.979 -13.991 1.00 2.23 O ATOM 239 CB HIS A 16 13.982 -7.565 -14.274 1.00 1.11 C ATOM 240 CG HIS A 16 12.586 -7.916 -13.852 1.00 52.24 C ATOM 241 ND1 HIS A 16 11.622 -7.178 -13.250 1.00 13.00 N flip ATOM 242 CD2 HIS A 16 12.028 -9.162 -14.059 1.00 31.43 C flip ATOM 243 CE1 HIS A 16 10.523 -7.984 -13.113 1.00 24.44 C flip ATOM 244 NE2 HIS A 16 10.792 -9.170 -13.606 1.00 43.52 N flip ATOM 0 H HIS A 16 14.284 -6.069 -12.293 1.00 21.11 H new ATOM 0 HA HIS A 16 14.828 -8.767 -12.714 1.00 34.10 H new ATOM 0 HB2 HIS A 16 14.010 -6.514 -14.560 1.00 1.11 H new ATOM 0 HB3 HIS A 16 14.238 -8.144 -15.162 1.00 1.11 H new ATOM 0 HD1 HIS A 16 11.700 -6.205 -12.954 1.00 13.00 H new ATOM 0 HD2 HIS A 16 12.528 -10.000 -14.521 1.00 31.43 H new ATOM 0 HE1 HIS A 16 9.583 -7.690 -12.669 1.00 24.44 H new ATOM 253 N LEU A 17 17.001 -6.738 -14.208 1.00 40.11 N ATOM 254 CA LEU A 17 18.375 -6.680 -14.737 1.00 10.50 C ATOM 255 C LEU A 17 19.372 -7.322 -13.759 1.00 51.30 C ATOM 256 O LEU A 17 20.230 -8.114 -14.155 1.00 11.33 O ATOM 257 CB LEU A 17 18.786 -5.224 -15.012 1.00 43.50 C ATOM 258 CG LEU A 17 18.040 -4.534 -16.164 1.00 34.13 C ATOM 259 CD1 LEU A 17 18.444 -3.068 -16.277 1.00 43.22 C ATOM 260 CD2 LEU A 17 18.293 -5.267 -17.479 1.00 32.42 C ATOM 0 H LEU A 17 16.533 -5.833 -14.152 1.00 40.11 H new ATOM 0 HA LEU A 17 18.394 -7.241 -15.672 1.00 10.50 H new ATOM 0 HB2 LEU A 17 18.632 -4.643 -14.103 1.00 43.50 H new ATOM 0 HB3 LEU A 17 19.854 -5.201 -15.228 1.00 43.50 H new ATOM 0 HG LEU A 17 16.972 -4.571 -15.948 1.00 34.13 H new ATOM 0 HD11 LEU A 17 17.901 -2.603 -17.100 1.00 43.22 H new ATOM 0 HD12 LEU A 17 18.204 -2.552 -15.347 1.00 43.22 H new ATOM 0 HD13 LEU A 17 19.516 -2.999 -16.464 1.00 43.22 H new ATOM 0 HD21 LEU A 17 17.757 -4.765 -18.284 1.00 32.42 H new ATOM 0 HD22 LEU A 17 19.361 -5.265 -17.697 1.00 32.42 H new ATOM 0 HD23 LEU A 17 17.942 -6.296 -17.396 1.00 32.42 H new ATOM 272 N LYS A 18 19.244 -6.974 -12.480 1.00 55.00 N ATOM 273 CA LYS A 18 20.086 -7.543 -11.420 1.00 73.13 C ATOM 274 C LYS A 18 19.842 -9.055 -11.269 1.00 73.12 C ATOM 275 O LYS A 18 20.703 -9.796 -10.797 1.00 30.21 O ATOM 276 CB LYS A 18 19.797 -6.821 -10.095 1.00 41.32 C ATOM 277 CG LYS A 18 19.992 -5.307 -10.176 1.00 70.43 C ATOM 278 CD LYS A 18 19.488 -4.592 -8.925 1.00 22.21 C ATOM 279 CE LYS A 18 19.555 -3.076 -9.079 1.00 63.11 C ATOM 280 NZ LYS A 18 18.994 -2.369 -7.897 1.00 11.43 N ATOM 0 H LYS A 18 18.560 -6.295 -12.147 1.00 55.00 H new ATOM 0 HA LYS A 18 21.132 -7.401 -11.691 1.00 73.13 H new ATOM 0 HB2 LYS A 18 18.772 -7.032 -9.790 1.00 41.32 H new ATOM 0 HB3 LYS A 18 20.450 -7.223 -9.320 1.00 41.32 H new ATOM 0 HG2 LYS A 18 21.050 -5.086 -10.317 1.00 70.43 H new ATOM 0 HG3 LYS A 18 19.466 -4.921 -11.049 1.00 70.43 H new ATOM 0 HD2 LYS A 18 18.460 -4.893 -8.723 1.00 22.21 H new ATOM 0 HD3 LYS A 18 20.084 -4.898 -8.065 1.00 22.21 H new ATOM 0 HE2 LYS A 18 20.592 -2.772 -9.224 1.00 63.11 H new ATOM 0 HE3 LYS A 18 19.007 -2.778 -9.973 1.00 63.11 H new ATOM 0 HZ1 LYS A 18 18.729 -1.400 -8.166 1.00 11.43 H new ATOM 0 HZ2 LYS A 18 18.153 -2.876 -7.556 1.00 11.43 H new ATOM 0 HZ3 LYS A 18 19.708 -2.335 -7.141 1.00 11.43 H new ATOM 294 N HIS A 19 18.655 -9.503 -11.679 1.00 72.32 N ATOM 295 CA HIS A 19 18.297 -10.929 -11.653 1.00 52.41 C ATOM 296 C HIS A 19 18.570 -11.605 -13.010 1.00 35.12 C ATOM 297 O HIS A 19 18.075 -12.703 -13.270 1.00 65.55 O ATOM 298 CB HIS A 19 16.814 -11.095 -11.285 1.00 10.41 C ATOM 299 CG HIS A 19 16.437 -10.499 -9.961 1.00 72.32 C ATOM 300 ND1 HIS A 19 15.139 -10.454 -9.495 1.00 12.12 N ATOM 301 CD2 HIS A 19 17.191 -9.908 -9.005 1.00 41.23 C ATOM 302 CE1 HIS A 19 15.112 -9.861 -8.321 1.00 75.34 C ATOM 303 NE2 HIS A 19 16.341 -9.521 -8.001 1.00 35.31 N ATOM 0 H HIS A 19 17.917 -8.896 -12.037 1.00 72.32 H new ATOM 0 HA HIS A 19 18.919 -11.412 -10.900 1.00 52.41 H new ATOM 0 HB2 HIS A 19 16.205 -10.636 -12.064 1.00 10.41 H new ATOM 0 HB3 HIS A 19 16.571 -12.157 -11.275 1.00 10.41 H new ATOM 0 HD2 HIS A 19 18.262 -9.768 -9.028 1.00 41.23 H new ATOM 0 HE1 HIS A 19 14.231 -9.684 -7.722 1.00 75.34 H new ATOM 0 HE2 HIS A 19 16.618 -9.045 -7.142 1.00 35.31 H new ATOM 312 N ASP A 20 19.341 -10.931 -13.872 1.00 21.35 N ATOM 313 CA ASP A 20 19.725 -11.463 -15.193 1.00 41.22 C ATOM 314 C ASP A 20 18.529 -11.497 -16.178 1.00 73.44 C ATOM 315 O ASP A 20 18.670 -11.908 -17.331 1.00 62.15 O ATOM 316 CB ASP A 20 20.365 -12.858 -15.035 1.00 4.23 C ATOM 317 CG ASP A 20 20.902 -13.426 -16.339 1.00 33.43 C ATOM 318 OD1 ASP A 20 21.951 -12.945 -16.815 1.00 21.43 O ATOM 319 OD2 ASP A 20 20.285 -14.365 -16.885 1.00 21.12 O ATOM 0 H ASP A 20 19.717 -10.003 -13.678 1.00 21.35 H new ATOM 0 HA ASP A 20 20.463 -10.787 -15.626 1.00 41.22 H new ATOM 0 HB2 ASP A 20 21.178 -12.797 -14.312 1.00 4.23 H new ATOM 0 HB3 ASP A 20 19.625 -13.545 -14.625 1.00 4.23 H new ATOM 324 N ASN A 21 17.362 -11.036 -15.729 1.00 10.10 N ATOM 325 CA ASN A 21 16.168 -10.975 -16.583 1.00 50.14 C ATOM 326 C ASN A 21 16.163 -9.693 -17.433 1.00 20.24 C ATOM 327 O ASN A 21 15.357 -8.784 -17.205 1.00 35.20 O ATOM 328 CB ASN A 21 14.898 -11.040 -15.722 1.00 21.23 C ATOM 329 CG ASN A 21 14.738 -12.367 -15.000 1.00 51.21 C ATOM 330 OD1 ASN A 21 14.986 -13.460 -15.693 1.00 60.42 O flip ATOM 331 ND2 ASN A 21 14.344 -12.409 -13.840 1.00 70.23 N flip ATOM 0 H ASN A 21 17.214 -10.698 -14.778 1.00 10.10 H new ATOM 0 HA ASN A 21 16.188 -11.832 -17.257 1.00 50.14 H new ATOM 0 HB2 ASN A 21 14.921 -10.234 -14.989 1.00 21.23 H new ATOM 0 HB3 ASN A 21 14.027 -10.870 -16.355 1.00 21.23 H new ATOM 0 HD21 ASN A 21 14.161 -11.544 -13.332 1.00 70.23 H new ATOM 0 HD22 ASN A 21 14.199 -13.309 -13.383 1.00 70.23 H new ATOM 338 N ALA A 22 17.066 -9.624 -18.410 1.00 72.23 N ATOM 339 CA ALA A 22 17.222 -8.423 -19.243 1.00 31.03 C ATOM 340 C ALA A 22 15.975 -8.145 -20.095 1.00 51.43 C ATOM 341 O ALA A 22 15.454 -7.030 -20.100 1.00 2.14 O ATOM 342 CB ALA A 22 18.452 -8.549 -20.134 1.00 62.45 C ATOM 0 H ALA A 22 17.703 -10.384 -18.648 1.00 72.23 H new ATOM 0 HA ALA A 22 17.353 -7.577 -18.569 1.00 31.03 H new ATOM 0 HB1 ALA A 22 18.553 -7.651 -20.744 1.00 62.45 H new ATOM 0 HB2 ALA A 22 19.340 -8.668 -19.513 1.00 62.45 H new ATOM 0 HB3 ALA A 22 18.344 -9.418 -20.783 1.00 62.45 H new ATOM 348 N SER A 23 15.498 -9.166 -20.809 1.00 2.33 N ATOM 349 CA SER A 23 14.296 -9.031 -21.651 1.00 72.12 C ATOM 350 C SER A 23 13.078 -8.622 -20.814 1.00 42.23 C ATOM 351 O SER A 23 12.315 -7.736 -21.199 1.00 25.01 O ATOM 352 CB SER A 23 13.989 -10.348 -22.382 1.00 22.03 C ATOM 353 OG SER A 23 15.086 -10.774 -23.178 1.00 22.15 O ATOM 0 H SER A 23 15.920 -10.094 -20.825 1.00 2.33 H new ATOM 0 HA SER A 23 14.500 -8.251 -22.385 1.00 72.12 H new ATOM 0 HB2 SER A 23 13.746 -11.121 -21.653 1.00 22.03 H new ATOM 0 HB3 SER A 23 13.110 -10.218 -23.013 1.00 22.03 H new ATOM 0 HG SER A 23 14.857 -11.615 -23.627 1.00 22.15 H new ATOM 359 N ARG A 24 12.907 -9.274 -19.664 1.00 51.14 N ATOM 360 CA ARG A 24 11.805 -8.960 -18.747 1.00 31.14 C ATOM 361 C ARG A 24 11.911 -7.523 -18.210 1.00 51.11 C ATOM 362 O ARG A 24 10.901 -6.854 -17.998 1.00 24.41 O ATOM 363 CB ARG A 24 11.781 -9.963 -17.584 1.00 22.40 C ATOM 364 CG ARG A 24 11.530 -11.404 -18.021 1.00 42.00 C ATOM 365 CD ARG A 24 10.208 -11.547 -18.772 1.00 12.02 C ATOM 366 NE ARG A 24 9.956 -12.924 -19.188 1.00 71.53 N ATOM 367 CZ ARG A 24 9.150 -13.266 -20.158 1.00 64.12 C ATOM 368 NH1 ARG A 24 8.495 -12.370 -20.825 1.00 3.12 N ATOM 369 NH2 ARG A 24 8.993 -14.513 -20.450 1.00 74.14 N ATOM 0 H ARG A 24 13.518 -10.025 -19.342 1.00 51.14 H new ATOM 0 HA ARG A 24 10.872 -9.038 -19.306 1.00 31.14 H new ATOM 0 HB2 ARG A 24 12.732 -9.914 -17.054 1.00 22.40 H new ATOM 0 HB3 ARG A 24 11.006 -9.667 -16.877 1.00 22.40 H new ATOM 0 HG2 ARG A 24 12.348 -11.738 -18.659 1.00 42.00 H new ATOM 0 HG3 ARG A 24 11.523 -12.053 -17.146 1.00 42.00 H new ATOM 0 HD2 ARG A 24 9.392 -11.207 -18.135 1.00 12.02 H new ATOM 0 HD3 ARG A 24 10.219 -10.900 -19.649 1.00 12.02 H new ATOM 0 HE ARG A 24 10.442 -13.669 -18.688 1.00 71.53 H new ATOM 0 HH11 ARG A 24 8.605 -11.382 -20.596 1.00 3.12 H new ATOM 0 HH12 ARG A 24 7.869 -12.652 -21.580 1.00 3.12 H new ATOM 0 HH21 ARG A 24 9.497 -15.227 -19.924 1.00 74.14 H new ATOM 0 HH22 ARG A 24 8.365 -14.785 -21.206 1.00 74.14 H new ATOM 383 N ALA A 25 13.138 -7.058 -17.993 1.00 44.45 N ATOM 384 CA ALA A 25 13.373 -5.680 -17.555 1.00 34.53 C ATOM 385 C ALA A 25 13.027 -4.677 -18.662 1.00 72.30 C ATOM 386 O ALA A 25 12.269 -3.731 -18.444 1.00 32.24 O ATOM 387 CB ALA A 25 14.821 -5.510 -17.124 1.00 51.14 C ATOM 0 H ALA A 25 13.986 -7.612 -18.112 1.00 44.45 H new ATOM 0 HA ALA A 25 12.721 -5.479 -16.705 1.00 34.53 H new ATOM 0 HB1 ALA A 25 14.986 -4.482 -16.800 1.00 51.14 H new ATOM 0 HB2 ALA A 25 15.037 -6.189 -16.300 1.00 51.14 H new ATOM 0 HB3 ALA A 25 15.479 -5.736 -17.963 1.00 51.14 H new ATOM 393 N LEU A 26 13.593 -4.898 -19.849 1.00 71.11 N ATOM 394 CA LEU A 26 13.332 -4.051 -21.018 1.00 11.23 C ATOM 395 C LEU A 26 11.824 -3.920 -21.281 1.00 21.31 C ATOM 396 O LEU A 26 11.323 -2.828 -21.549 1.00 0.43 O ATOM 397 CB LEU A 26 14.049 -4.631 -22.250 1.00 32.15 C ATOM 398 CG LEU A 26 13.960 -3.792 -23.539 1.00 12.34 C ATOM 399 CD1 LEU A 26 14.505 -2.385 -23.312 1.00 43.43 C ATOM 400 CD2 LEU A 26 14.715 -4.478 -24.677 1.00 33.53 C ATOM 0 H LEU A 26 14.242 -5.664 -20.029 1.00 71.11 H new ATOM 0 HA LEU A 26 13.720 -3.052 -20.817 1.00 11.23 H new ATOM 0 HB2 LEU A 26 15.101 -4.769 -22.002 1.00 32.15 H new ATOM 0 HB3 LEU A 26 13.637 -5.619 -22.454 1.00 32.15 H new ATOM 0 HG LEU A 26 12.909 -3.710 -23.817 1.00 12.34 H new ATOM 0 HD11 LEU A 26 14.431 -1.813 -24.237 1.00 43.43 H new ATOM 0 HD12 LEU A 26 13.925 -1.891 -22.532 1.00 43.43 H new ATOM 0 HD13 LEU A 26 15.549 -2.444 -23.005 1.00 43.43 H new ATOM 0 HD21 LEU A 26 14.642 -3.872 -25.580 1.00 33.53 H new ATOM 0 HD22 LEU A 26 15.763 -4.593 -24.401 1.00 33.53 H new ATOM 0 HD23 LEU A 26 14.279 -5.460 -24.863 1.00 33.53 H new ATOM 412 N ALA A 27 11.107 -5.040 -21.178 1.00 73.42 N ATOM 413 CA ALA A 27 9.648 -5.050 -21.326 1.00 34.11 C ATOM 414 C ALA A 27 8.969 -4.086 -20.339 1.00 11.23 C ATOM 415 O ALA A 27 8.050 -3.351 -20.706 1.00 11.51 O ATOM 416 CB ALA A 27 9.114 -6.466 -21.141 1.00 4.40 C ATOM 0 H ALA A 27 11.514 -5.957 -20.992 1.00 73.42 H new ATOM 0 HA ALA A 27 9.411 -4.706 -22.333 1.00 34.11 H new ATOM 0 HB1 ALA A 27 8.030 -6.463 -21.253 1.00 4.40 H new ATOM 0 HB2 ALA A 27 9.555 -7.122 -21.892 1.00 4.40 H new ATOM 0 HB3 ALA A 27 9.375 -6.826 -20.146 1.00 4.40 H new ATOM 422 N LEU A 28 9.429 -4.089 -19.086 1.00 2.11 N ATOM 423 CA LEU A 28 8.902 -3.168 -18.072 1.00 32.25 C ATOM 424 C LEU A 28 9.210 -1.705 -18.419 1.00 44.42 C ATOM 425 O LEU A 28 8.328 -0.855 -18.349 1.00 54.34 O ATOM 426 CB LEU A 28 9.457 -3.507 -16.680 1.00 74.23 C ATOM 427 CG LEU A 28 8.887 -4.784 -16.041 1.00 13.04 C ATOM 428 CD1 LEU A 28 9.494 -5.016 -14.662 1.00 61.33 C ATOM 429 CD2 LEU A 28 7.366 -4.702 -15.950 1.00 1.25 C ATOM 0 H LEU A 28 10.161 -4.714 -18.749 1.00 2.11 H new ATOM 0 HA LEU A 28 7.819 -3.292 -18.059 1.00 32.25 H new ATOM 0 HB2 LEU A 28 10.540 -3.609 -16.753 1.00 74.23 H new ATOM 0 HB3 LEU A 28 9.260 -2.667 -16.014 1.00 74.23 H new ATOM 0 HG LEU A 28 9.150 -5.630 -16.675 1.00 13.04 H new ATOM 0 HD11 LEU A 28 9.076 -5.925 -14.229 1.00 61.33 H new ATOM 0 HD12 LEU A 28 10.575 -5.121 -14.753 1.00 61.33 H new ATOM 0 HD13 LEU A 28 9.265 -4.168 -14.016 1.00 61.33 H new ATOM 0 HD21 LEU A 28 6.979 -5.614 -15.495 1.00 1.25 H new ATOM 0 HD22 LEU A 28 7.084 -3.844 -15.340 1.00 1.25 H new ATOM 0 HD23 LEU A 28 6.947 -4.589 -16.950 1.00 1.25 H new ATOM 441 N PHE A 29 10.456 -1.413 -18.795 1.00 74.31 N ATOM 442 CA PHE A 29 10.836 -0.050 -19.193 1.00 22.04 C ATOM 443 C PHE A 29 9.976 0.448 -20.368 1.00 34.01 C ATOM 444 O PHE A 29 9.529 1.596 -20.380 1.00 31.43 O ATOM 445 CB PHE A 29 12.326 0.019 -19.558 1.00 60.41 C ATOM 446 CG PHE A 29 13.253 -0.098 -18.373 1.00 10.23 C ATOM 447 CD1 PHE A 29 13.380 0.953 -17.474 1.00 33.43 C ATOM 448 CD2 PHE A 29 13.998 -1.248 -18.158 1.00 24.05 C ATOM 449 CE1 PHE A 29 14.229 0.858 -16.389 1.00 42.05 C ATOM 450 CE2 PHE A 29 14.851 -1.347 -17.075 1.00 75.54 C ATOM 451 CZ PHE A 29 14.966 -0.294 -16.190 1.00 34.33 C ATOM 0 H PHE A 29 11.216 -2.093 -18.833 1.00 74.31 H new ATOM 0 HA PHE A 29 10.657 0.603 -18.339 1.00 22.04 H new ATOM 0 HB2 PHE A 29 12.554 -0.779 -20.265 1.00 60.41 H new ATOM 0 HB3 PHE A 29 12.522 0.962 -20.068 1.00 60.41 H new ATOM 0 HD1 PHE A 29 12.807 1.856 -17.625 1.00 33.43 H new ATOM 0 HD2 PHE A 29 13.910 -2.076 -18.845 1.00 24.05 H new ATOM 0 HE1 PHE A 29 14.317 1.683 -15.697 1.00 42.05 H new ATOM 0 HE2 PHE A 29 15.427 -2.248 -16.921 1.00 75.54 H new ATOM 0 HZ PHE A 29 15.631 -0.370 -15.343 1.00 34.33 H new ATOM 461 N GLU A 30 9.743 -0.425 -21.348 1.00 12.24 N ATOM 462 CA GLU A 30 8.853 -0.103 -22.470 1.00 44.23 C ATOM 463 C GLU A 30 7.409 0.122 -21.981 1.00 54.24 C ATOM 464 O GLU A 30 6.715 1.028 -22.453 1.00 74.54 O ATOM 465 CB GLU A 30 8.883 -1.220 -23.530 1.00 3.34 C ATOM 466 CG GLU A 30 10.245 -1.417 -24.197 1.00 4.11 C ATOM 467 CD GLU A 30 10.216 -2.463 -25.308 1.00 10.45 C ATOM 468 OE1 GLU A 30 10.345 -3.672 -25.007 1.00 32.31 O ATOM 469 OE2 GLU A 30 10.058 -2.080 -26.490 1.00 30.33 O ATOM 0 H GLU A 30 10.155 -1.357 -21.390 1.00 12.24 H new ATOM 0 HA GLU A 30 9.213 0.820 -22.925 1.00 44.23 H new ATOM 0 HB2 GLU A 30 8.581 -2.157 -23.062 1.00 3.34 H new ATOM 0 HB3 GLU A 30 8.144 -0.995 -24.299 1.00 3.34 H new ATOM 0 HG2 GLU A 30 10.583 -0.466 -24.609 1.00 4.11 H new ATOM 0 HG3 GLU A 30 10.974 -1.715 -23.443 1.00 4.11 H new ATOM 476 N GLU A 31 6.964 -0.710 -21.035 1.00 42.41 N ATOM 477 CA GLU A 31 5.633 -0.565 -20.429 1.00 70.24 C ATOM 478 C GLU A 31 5.517 0.772 -19.672 1.00 63.41 C ATOM 479 O GLU A 31 4.483 1.436 -19.713 1.00 42.30 O ATOM 480 CB GLU A 31 5.350 -1.738 -19.468 1.00 62.53 C ATOM 481 CG GLU A 31 3.904 -1.799 -18.976 1.00 55.23 C ATOM 482 CD GLU A 31 3.688 -2.817 -17.861 1.00 31.54 C ATOM 483 OE1 GLU A 31 3.868 -4.030 -18.103 1.00 12.33 O ATOM 484 OE2 GLU A 31 3.340 -2.403 -16.734 1.00 64.45 O ATOM 0 H GLU A 31 7.506 -1.493 -20.670 1.00 42.41 H new ATOM 0 HA GLU A 31 4.894 -0.575 -21.230 1.00 70.24 H new ATOM 0 HB2 GLU A 31 5.592 -2.674 -19.971 1.00 62.53 H new ATOM 0 HB3 GLU A 31 6.014 -1.658 -18.607 1.00 62.53 H new ATOM 0 HG2 GLU A 31 3.607 -0.812 -18.620 1.00 55.23 H new ATOM 0 HG3 GLU A 31 3.252 -2.045 -19.814 1.00 55.23 H new ATOM 491 N LEU A 32 6.597 1.163 -18.994 1.00 25.42 N ATOM 492 CA LEU A 32 6.640 2.423 -18.239 1.00 10.51 C ATOM 493 C LEU A 32 6.334 3.630 -19.134 1.00 33.42 C ATOM 494 O LEU A 32 5.555 4.505 -18.762 1.00 53.30 O ATOM 495 CB LEU A 32 8.018 2.605 -17.581 1.00 60.13 C ATOM 496 CG LEU A 32 8.364 1.603 -16.469 1.00 73.13 C ATOM 497 CD1 LEU A 32 9.799 1.807 -15.990 1.00 52.51 C ATOM 498 CD2 LEU A 32 7.385 1.730 -15.308 1.00 31.33 C ATOM 0 H LEU A 32 7.461 0.623 -18.950 1.00 25.42 H new ATOM 0 HA LEU A 32 5.872 2.368 -17.468 1.00 10.51 H new ATOM 0 HB2 LEU A 32 8.782 2.537 -18.356 1.00 60.13 H new ATOM 0 HB3 LEU A 32 8.072 3.612 -17.167 1.00 60.13 H new ATOM 0 HG LEU A 32 8.280 0.596 -16.877 1.00 73.13 H new ATOM 0 HD11 LEU A 32 10.025 1.088 -15.202 1.00 52.51 H new ATOM 0 HD12 LEU A 32 10.485 1.660 -16.824 1.00 52.51 H new ATOM 0 HD13 LEU A 32 9.912 2.819 -15.601 1.00 52.51 H new ATOM 0 HD21 LEU A 32 7.647 1.012 -14.531 1.00 31.33 H new ATOM 0 HD22 LEU A 32 7.433 2.740 -14.900 1.00 31.33 H new ATOM 0 HD23 LEU A 32 6.374 1.529 -15.661 1.00 31.33 H new ATOM 510 N VAL A 33 6.942 3.660 -20.319 1.00 33.45 N ATOM 511 CA VAL A 33 6.756 4.774 -21.261 1.00 71.31 C ATOM 512 C VAL A 33 5.277 4.960 -21.651 1.00 32.52 C ATOM 513 O VAL A 33 4.784 6.087 -21.747 1.00 52.43 O ATOM 514 CB VAL A 33 7.597 4.570 -22.547 1.00 31.12 C ATOM 515 CG1 VAL A 33 7.430 5.746 -23.511 1.00 31.44 C ATOM 516 CG2 VAL A 33 9.068 4.358 -22.198 1.00 22.40 C ATOM 0 H VAL A 33 7.568 2.928 -20.654 1.00 33.45 H new ATOM 0 HA VAL A 33 7.096 5.672 -20.744 1.00 71.31 H new ATOM 0 HB VAL A 33 7.231 3.675 -23.050 1.00 31.12 H new ATOM 0 HG11 VAL A 33 8.032 5.573 -24.403 1.00 31.44 H new ATOM 0 HG12 VAL A 33 6.381 5.839 -23.793 1.00 31.44 H new ATOM 0 HG13 VAL A 33 7.758 6.665 -23.024 1.00 31.44 H new ATOM 0 HG21 VAL A 33 9.642 4.217 -23.113 1.00 22.40 H new ATOM 0 HG22 VAL A 33 9.445 5.231 -21.664 1.00 22.40 H new ATOM 0 HG23 VAL A 33 9.169 3.475 -21.567 1.00 22.40 H new ATOM 526 N GLU A 34 4.572 3.853 -21.881 1.00 22.15 N ATOM 527 CA GLU A 34 3.160 3.914 -22.274 1.00 61.31 C ATOM 528 C GLU A 34 2.234 4.111 -21.058 1.00 32.23 C ATOM 529 O GLU A 34 1.134 4.651 -21.186 1.00 62.33 O ATOM 530 CB GLU A 34 2.759 2.658 -23.065 1.00 23.23 C ATOM 531 CG GLU A 34 2.906 1.346 -22.300 1.00 12.02 C ATOM 532 CD GLU A 34 2.467 0.144 -23.120 1.00 24.13 C ATOM 533 OE1 GLU A 34 1.251 -0.126 -23.181 1.00 52.40 O ATOM 534 OE2 GLU A 34 3.330 -0.523 -23.731 1.00 42.43 O ATOM 0 H GLU A 34 4.950 2.909 -21.803 1.00 22.15 H new ATOM 0 HA GLU A 34 3.040 4.784 -22.920 1.00 61.31 H new ATOM 0 HB2 GLU A 34 1.722 2.762 -23.384 1.00 23.23 H new ATOM 0 HB3 GLU A 34 3.366 2.605 -23.969 1.00 23.23 H new ATOM 0 HG2 GLU A 34 3.946 1.218 -22.001 1.00 12.02 H new ATOM 0 HG3 GLU A 34 2.315 1.394 -21.385 1.00 12.02 H new ATOM 541 N THR A 35 2.676 3.669 -19.879 1.00 12.40 N ATOM 542 CA THR A 35 1.897 3.857 -18.643 1.00 40.32 C ATOM 543 C THR A 35 2.193 5.211 -17.977 1.00 72.43 C ATOM 544 O THR A 35 1.443 5.661 -17.109 1.00 41.41 O ATOM 545 CB THR A 35 2.153 2.727 -17.615 1.00 10.03 C ATOM 546 OG1 THR A 35 3.551 2.655 -17.277 1.00 22.53 O ATOM 547 CG2 THR A 35 1.684 1.381 -18.161 1.00 22.40 C ATOM 0 H THR A 35 3.562 3.181 -19.749 1.00 12.40 H new ATOM 0 HA THR A 35 0.851 3.829 -18.947 1.00 40.32 H new ATOM 0 HB THR A 35 1.583 2.958 -16.715 1.00 10.03 H new ATOM 0 HG1 THR A 35 4.055 2.308 -18.042 1.00 22.53 H new ATOM 0 HG21 THR A 35 1.874 0.603 -17.422 1.00 22.40 H new ATOM 0 HG22 THR A 35 0.616 1.427 -18.374 1.00 22.40 H new ATOM 0 HG23 THR A 35 2.227 1.151 -19.078 1.00 22.40 H new ATOM 555 N ASP A 36 3.292 5.846 -18.377 1.00 71.14 N ATOM 556 CA ASP A 36 3.664 7.168 -17.859 1.00 33.54 C ATOM 557 C ASP A 36 4.707 7.842 -18.778 1.00 33.23 C ATOM 558 O ASP A 36 5.894 7.516 -18.730 1.00 10.21 O ATOM 559 CB ASP A 36 4.212 7.045 -16.427 1.00 62.12 C ATOM 560 CG ASP A 36 4.318 8.391 -15.728 1.00 3.31 C ATOM 561 OD1 ASP A 36 5.162 9.214 -16.130 1.00 0.23 O ATOM 562 OD2 ASP A 36 3.550 8.638 -14.771 1.00 23.04 O ATOM 0 H ASP A 36 3.946 5.467 -19.062 1.00 71.14 H new ATOM 0 HA ASP A 36 2.771 7.793 -17.840 1.00 33.54 H new ATOM 0 HB2 ASP A 36 3.563 6.388 -15.848 1.00 62.12 H new ATOM 0 HB3 ASP A 36 5.195 6.576 -16.457 1.00 62.12 H new ATOM 567 N PRO A 37 4.276 8.784 -19.640 1.00 50.03 N ATOM 568 CA PRO A 37 5.179 9.475 -20.576 1.00 11.04 C ATOM 569 C PRO A 37 5.888 10.699 -19.961 1.00 71.53 C ATOM 570 O PRO A 37 6.682 11.368 -20.631 1.00 10.23 O ATOM 571 CB PRO A 37 4.215 9.913 -21.681 1.00 23.14 C ATOM 572 CG PRO A 37 2.938 10.203 -20.960 1.00 75.43 C ATOM 573 CD PRO A 37 2.877 9.243 -19.790 1.00 64.44 C ATOM 0 HA PRO A 37 5.999 8.836 -20.903 1.00 11.04 H new ATOM 0 HB2 PRO A 37 4.585 10.794 -22.206 1.00 23.14 H new ATOM 0 HB3 PRO A 37 4.082 9.130 -22.427 1.00 23.14 H new ATOM 0 HG2 PRO A 37 2.913 11.237 -20.615 1.00 75.43 H new ATOM 0 HG3 PRO A 37 2.081 10.066 -21.619 1.00 75.43 H new ATOM 0 HD2 PRO A 37 2.518 9.735 -18.886 1.00 64.44 H new ATOM 0 HD3 PRO A 37 2.202 8.411 -19.989 1.00 64.44 H new ATOM 581 N ASP A 38 5.604 10.980 -18.691 1.00 4.24 N ATOM 582 CA ASP A 38 6.151 12.158 -18.007 1.00 74.23 C ATOM 583 C ASP A 38 7.463 11.826 -17.275 1.00 22.21 C ATOM 584 O ASP A 38 8.369 12.657 -17.174 1.00 1.15 O ATOM 585 CB ASP A 38 5.128 12.679 -16.994 1.00 2.20 C ATOM 586 CG ASP A 38 3.732 12.796 -17.581 1.00 63.24 C ATOM 587 OD1 ASP A 38 3.434 13.822 -18.227 1.00 31.12 O ATOM 588 OD2 ASP A 38 2.917 11.871 -17.380 1.00 23.35 O ATOM 0 H ASP A 38 4.994 10.406 -18.108 1.00 4.24 H new ATOM 0 HA ASP A 38 6.362 12.918 -18.759 1.00 74.23 H new ATOM 0 HB2 ASP A 38 5.101 12.010 -16.133 1.00 2.20 H new ATOM 0 HB3 ASP A 38 5.448 13.655 -16.629 1.00 2.20 H new ATOM 593 N TYR A 39 7.541 10.602 -16.763 1.00 5.54 N ATOM 594 CA TYR A 39 8.657 10.169 -15.919 1.00 52.30 C ATOM 595 C TYR A 39 9.981 10.085 -16.705 1.00 42.34 C ATOM 596 O TYR A 39 10.291 9.068 -17.331 1.00 35.01 O ATOM 597 CB TYR A 39 8.309 8.815 -15.282 1.00 21.03 C ATOM 598 CG TYR A 39 9.177 8.430 -14.098 1.00 74.30 C ATOM 599 CD1 TYR A 39 9.571 9.377 -13.157 1.00 31.10 C ATOM 600 CD2 TYR A 39 9.578 7.112 -13.906 1.00 34.33 C ATOM 601 CE1 TYR A 39 10.341 9.021 -12.068 1.00 13.34 C ATOM 602 CE2 TYR A 39 10.349 6.753 -12.821 1.00 22.33 C ATOM 603 CZ TYR A 39 10.726 7.709 -11.904 1.00 53.03 C ATOM 604 OH TYR A 39 11.492 7.351 -10.820 1.00 31.24 O ATOM 0 H TYR A 39 6.836 9.881 -16.919 1.00 5.54 H new ATOM 0 HA TYR A 39 8.808 10.914 -15.138 1.00 52.30 H new ATOM 0 HB2 TYR A 39 7.268 8.837 -14.960 1.00 21.03 H new ATOM 0 HB3 TYR A 39 8.391 8.039 -16.043 1.00 21.03 H new ATOM 0 HD1 TYR A 39 9.269 10.407 -13.281 1.00 31.10 H new ATOM 0 HD2 TYR A 39 9.280 6.357 -14.619 1.00 34.33 H new ATOM 0 HE1 TYR A 39 10.640 9.768 -11.348 1.00 13.34 H new ATOM 0 HE2 TYR A 39 10.656 5.726 -12.691 1.00 22.33 H new ATOM 0 HH TYR A 39 11.808 6.430 -10.933 1.00 31.24 H new ATOM 614 N VAL A 40 10.753 11.171 -16.660 1.00 21.31 N ATOM 615 CA VAL A 40 12.046 11.259 -17.357 1.00 23.20 C ATOM 616 C VAL A 40 13.007 10.135 -16.928 1.00 20.55 C ATOM 617 O VAL A 40 13.757 9.595 -17.748 1.00 4.31 O ATOM 618 CB VAL A 40 12.720 12.633 -17.099 1.00 62.44 C ATOM 619 CG1 VAL A 40 14.041 12.753 -17.858 1.00 71.24 C ATOM 620 CG2 VAL A 40 11.774 13.775 -17.470 1.00 61.35 C ATOM 0 H VAL A 40 10.505 12.014 -16.143 1.00 21.31 H new ATOM 0 HA VAL A 40 11.838 11.148 -18.421 1.00 23.20 H new ATOM 0 HB VAL A 40 12.942 12.703 -16.034 1.00 62.44 H new ATOM 0 HG11 VAL A 40 14.489 13.726 -17.657 1.00 71.24 H new ATOM 0 HG12 VAL A 40 14.721 11.966 -17.532 1.00 71.24 H new ATOM 0 HG13 VAL A 40 13.857 12.652 -18.928 1.00 71.24 H new ATOM 0 HG21 VAL A 40 12.265 14.730 -17.282 1.00 61.35 H new ATOM 0 HG22 VAL A 40 11.513 13.703 -18.526 1.00 61.35 H new ATOM 0 HG23 VAL A 40 10.868 13.708 -16.867 1.00 61.35 H new ATOM 630 N GLY A 41 12.970 9.786 -15.640 1.00 20.13 N ATOM 631 CA GLY A 41 13.805 8.707 -15.118 1.00 40.25 C ATOM 632 C GLY A 41 13.700 7.415 -15.927 1.00 3.22 C ATOM 633 O GLY A 41 14.680 6.673 -16.061 1.00 33.21 O ATOM 0 H GLY A 41 12.373 10.233 -14.944 1.00 20.13 H new ATOM 0 HA2 GLY A 41 14.844 9.035 -15.105 1.00 40.25 H new ATOM 0 HA3 GLY A 41 13.521 8.505 -14.085 1.00 40.25 H new ATOM 637 N THR A 42 12.510 7.149 -16.467 1.00 53.22 N ATOM 638 CA THR A 42 12.289 5.986 -17.336 1.00 11.32 C ATOM 639 C THR A 42 13.137 6.079 -18.608 1.00 30.12 C ATOM 640 O THR A 42 13.893 5.164 -18.929 1.00 54.13 O ATOM 641 CB THR A 42 10.800 5.847 -17.743 1.00 42.03 C ATOM 642 OG1 THR A 42 9.982 5.661 -16.579 1.00 62.35 O ATOM 643 CG2 THR A 42 10.593 4.679 -18.704 1.00 23.11 C ATOM 0 H THR A 42 11.680 7.723 -16.319 1.00 53.22 H new ATOM 0 HA THR A 42 12.584 5.109 -16.760 1.00 11.32 H new ATOM 0 HB THR A 42 10.509 6.767 -18.251 1.00 42.03 H new ATOM 0 HG1 THR A 42 10.048 6.451 -16.003 1.00 62.35 H new ATOM 0 HG21 THR A 42 9.538 4.609 -18.970 1.00 23.11 H new ATOM 0 HG22 THR A 42 11.184 4.840 -19.605 1.00 23.11 H new ATOM 0 HG23 THR A 42 10.908 3.753 -18.224 1.00 23.11 H new ATOM 651 N TYR A 43 13.016 7.203 -19.314 1.00 43.31 N ATOM 652 CA TYR A 43 13.731 7.418 -20.581 1.00 34.03 C ATOM 653 C TYR A 43 15.249 7.265 -20.416 1.00 65.15 C ATOM 654 O TYR A 43 15.905 6.586 -21.206 1.00 52.54 O ATOM 655 CB TYR A 43 13.417 8.814 -21.138 1.00 5.15 C ATOM 656 CG TYR A 43 11.959 9.019 -21.501 1.00 22.42 C ATOM 657 CD1 TYR A 43 11.029 9.419 -20.546 1.00 64.24 C ATOM 658 CD2 TYR A 43 11.514 8.819 -22.804 1.00 14.20 C ATOM 659 CE1 TYR A 43 9.703 9.613 -20.880 1.00 65.41 C ATOM 660 CE2 TYR A 43 10.189 9.010 -23.142 1.00 41.43 C ATOM 661 CZ TYR A 43 9.289 9.406 -22.179 1.00 43.35 C ATOM 662 OH TYR A 43 7.971 9.605 -22.517 1.00 53.21 O ATOM 0 H TYR A 43 12.427 7.986 -19.031 1.00 43.31 H new ATOM 0 HA TYR A 43 13.387 6.654 -21.279 1.00 34.03 H new ATOM 0 HB2 TYR A 43 13.706 9.562 -20.400 1.00 5.15 H new ATOM 0 HB3 TYR A 43 14.029 8.987 -22.023 1.00 5.15 H new ATOM 0 HD1 TYR A 43 11.349 9.580 -19.527 1.00 64.24 H new ATOM 0 HD2 TYR A 43 12.217 8.509 -23.564 1.00 14.20 H new ATOM 0 HE1 TYR A 43 8.994 9.925 -20.128 1.00 65.41 H new ATOM 0 HE2 TYR A 43 9.860 8.849 -24.158 1.00 41.43 H new ATOM 0 HH TYR A 43 7.557 10.217 -21.873 1.00 53.21 H new ATOM 672 N TYR A 44 15.800 7.899 -19.384 1.00 10.22 N ATOM 673 CA TYR A 44 17.246 7.868 -19.140 1.00 3.01 C ATOM 674 C TYR A 44 17.760 6.432 -18.927 1.00 20.25 C ATOM 675 O TYR A 44 18.753 6.021 -19.526 1.00 1.35 O ATOM 676 CB TYR A 44 17.594 8.741 -17.927 1.00 74.13 C ATOM 677 CG TYR A 44 19.088 8.906 -17.705 1.00 62.52 C ATOM 678 CD1 TYR A 44 19.816 9.856 -18.415 1.00 44.55 C ATOM 679 CD2 TYR A 44 19.771 8.109 -16.794 1.00 34.24 C ATOM 680 CE1 TYR A 44 21.176 10.004 -18.224 1.00 34.15 C ATOM 681 CE2 TYR A 44 21.130 8.253 -16.596 1.00 62.24 C ATOM 682 CZ TYR A 44 21.828 9.202 -17.313 1.00 64.43 C ATOM 683 OH TYR A 44 23.185 9.339 -17.125 1.00 1.21 O ATOM 0 H TYR A 44 15.270 8.441 -18.702 1.00 10.22 H new ATOM 0 HA TYR A 44 17.740 8.266 -20.026 1.00 3.01 H new ATOM 0 HB2 TYR A 44 17.144 9.725 -18.057 1.00 74.13 H new ATOM 0 HB3 TYR A 44 17.149 8.302 -17.034 1.00 74.13 H new ATOM 0 HD1 TYR A 44 19.309 10.489 -19.128 1.00 44.55 H new ATOM 0 HD2 TYR A 44 19.229 7.364 -16.231 1.00 34.24 H new ATOM 0 HE1 TYR A 44 21.726 10.745 -18.786 1.00 34.15 H new ATOM 0 HE2 TYR A 44 21.644 7.625 -15.883 1.00 62.24 H new ATOM 0 HH TYR A 44 23.381 10.243 -16.801 1.00 1.21 H new ATOM 693 N HIS A 45 17.077 5.667 -18.076 1.00 61.22 N ATOM 694 CA HIS A 45 17.495 4.291 -17.772 1.00 22.45 C ATOM 695 C HIS A 45 17.184 3.324 -18.928 1.00 31.21 C ATOM 696 O HIS A 45 17.925 2.369 -19.159 1.00 5.40 O ATOM 697 CB HIS A 45 16.843 3.811 -16.470 1.00 3.43 C ATOM 698 CG HIS A 45 17.387 4.489 -15.246 1.00 52.41 C ATOM 699 ND1 HIS A 45 17.702 3.813 -14.087 1.00 41.55 N ATOM 700 CD2 HIS A 45 17.669 5.794 -15.002 1.00 31.43 C ATOM 701 CE1 HIS A 45 18.151 4.667 -13.189 1.00 30.12 C ATOM 702 NE2 HIS A 45 18.143 5.871 -13.719 1.00 22.35 N ATOM 0 H HIS A 45 16.236 5.971 -17.585 1.00 61.22 H new ATOM 0 HA HIS A 45 18.577 4.297 -17.643 1.00 22.45 H new ATOM 0 HB2 HIS A 45 15.768 3.984 -16.525 1.00 3.43 H new ATOM 0 HB3 HIS A 45 16.988 2.735 -16.375 1.00 3.43 H new ATOM 0 HD2 HIS A 45 17.543 6.617 -15.690 1.00 31.43 H new ATOM 0 HE1 HIS A 45 18.471 4.420 -12.188 1.00 30.12 H new ATOM 0 HE2 HIS A 45 18.442 6.726 -13.249 1.00 22.35 H new ATOM 711 N LEU A 46 16.092 3.576 -19.648 1.00 74.20 N ATOM 712 CA LEU A 46 15.735 2.769 -20.822 1.00 21.52 C ATOM 713 C LEU A 46 16.788 2.922 -21.932 1.00 74.04 C ATOM 714 O LEU A 46 17.211 1.940 -22.546 1.00 4.25 O ATOM 715 CB LEU A 46 14.344 3.169 -21.343 1.00 23.41 C ATOM 716 CG LEU A 46 13.888 2.475 -22.643 1.00 54.14 C ATOM 717 CD1 LEU A 46 13.951 0.957 -22.505 1.00 52.41 C ATOM 718 CD2 LEU A 46 12.476 2.915 -23.029 1.00 14.42 C ATOM 0 H LEU A 46 15.438 4.331 -19.442 1.00 74.20 H new ATOM 0 HA LEU A 46 15.708 1.722 -20.521 1.00 21.52 H new ATOM 0 HB2 LEU A 46 13.611 2.958 -20.565 1.00 23.41 H new ATOM 0 HB3 LEU A 46 14.334 4.247 -21.506 1.00 23.41 H new ATOM 0 HG LEU A 46 14.572 2.775 -23.437 1.00 54.14 H new ATOM 0 HD11 LEU A 46 13.624 0.493 -23.436 1.00 52.41 H new ATOM 0 HD12 LEU A 46 14.975 0.654 -22.288 1.00 52.41 H new ATOM 0 HD13 LEU A 46 13.299 0.638 -21.692 1.00 52.41 H new ATOM 0 HD21 LEU A 46 12.177 2.412 -23.949 1.00 14.42 H new ATOM 0 HD22 LEU A 46 11.782 2.653 -22.230 1.00 14.42 H new ATOM 0 HD23 LEU A 46 12.461 3.994 -23.184 1.00 14.42 H new ATOM 730 N GLY A 47 17.210 4.161 -22.176 1.00 22.14 N ATOM 731 CA GLY A 47 18.268 4.417 -23.146 1.00 25.13 C ATOM 732 C GLY A 47 19.574 3.705 -22.803 1.00 51.32 C ATOM 733 O GLY A 47 20.187 3.068 -23.662 1.00 60.13 O ATOM 0 H GLY A 47 16.839 4.994 -21.720 1.00 22.14 H new ATOM 0 HA2 GLY A 47 17.934 4.097 -24.133 1.00 25.13 H new ATOM 0 HA3 GLY A 47 18.449 5.490 -23.203 1.00 25.13 H new ATOM 737 N LYS A 48 19.995 3.806 -21.540 1.00 64.21 N ATOM 738 CA LYS A 48 21.204 3.120 -21.065 1.00 11.52 C ATOM 739 C LYS A 48 21.113 1.598 -21.277 1.00 3.14 C ATOM 740 O LYS A 48 22.113 0.944 -21.593 1.00 33.01 O ATOM 741 CB LYS A 48 21.455 3.425 -19.580 1.00 74.13 C ATOM 742 CG LYS A 48 21.705 4.901 -19.277 1.00 4.32 C ATOM 743 CD LYS A 48 22.838 5.470 -20.131 1.00 32.44 C ATOM 744 CE LYS A 48 23.201 6.894 -19.729 1.00 55.20 C ATOM 745 NZ LYS A 48 23.821 6.948 -18.376 1.00 71.51 N ATOM 0 H LYS A 48 19.518 4.356 -20.826 1.00 64.21 H new ATOM 0 HA LYS A 48 22.041 3.496 -21.653 1.00 11.52 H new ATOM 0 HB2 LYS A 48 20.595 3.087 -19.001 1.00 74.13 H new ATOM 0 HB3 LYS A 48 22.314 2.846 -19.242 1.00 74.13 H new ATOM 0 HG2 LYS A 48 20.793 5.469 -19.458 1.00 4.32 H new ATOM 0 HG3 LYS A 48 21.950 5.019 -18.222 1.00 4.32 H new ATOM 0 HD2 LYS A 48 23.717 4.832 -20.037 1.00 32.44 H new ATOM 0 HD3 LYS A 48 22.543 5.454 -21.180 1.00 32.44 H new ATOM 0 HE2 LYS A 48 23.891 7.313 -20.461 1.00 55.20 H new ATOM 0 HE3 LYS A 48 22.305 7.515 -19.743 1.00 55.20 H new ATOM 0 HZ1 LYS A 48 23.400 7.728 -17.832 1.00 71.51 H new ATOM 0 HZ2 LYS A 48 23.651 6.050 -17.880 1.00 71.51 H new ATOM 0 HZ3 LYS A 48 24.845 7.104 -18.469 1.00 71.51 H new ATOM 759 N LEU A 49 19.917 1.036 -21.100 1.00 2.34 N ATOM 760 CA LEU A 49 19.701 -0.393 -21.347 1.00 24.14 C ATOM 761 C LEU A 49 19.895 -0.720 -22.837 1.00 51.24 C ATOM 762 O LEU A 49 20.472 -1.751 -23.189 1.00 55.33 O ATOM 763 CB LEU A 49 18.304 -0.823 -20.872 1.00 72.25 C ATOM 764 CG LEU A 49 18.004 -2.336 -20.955 1.00 33.24 C ATOM 765 CD1 LEU A 49 19.108 -3.152 -20.282 1.00 4.24 C ATOM 766 CD2 LEU A 49 16.651 -2.646 -20.315 1.00 43.10 C ATOM 0 H LEU A 49 19.088 1.542 -20.789 1.00 2.34 H new ATOM 0 HA LEU A 49 20.440 -0.954 -20.775 1.00 24.14 H new ATOM 0 HB2 LEU A 49 18.178 -0.503 -19.838 1.00 72.25 H new ATOM 0 HB3 LEU A 49 17.559 -0.291 -21.464 1.00 72.25 H new ATOM 0 HG LEU A 49 17.968 -2.616 -22.008 1.00 33.24 H new ATOM 0 HD11 LEU A 49 18.872 -4.214 -20.355 1.00 4.24 H new ATOM 0 HD12 LEU A 49 20.059 -2.957 -20.778 1.00 4.24 H new ATOM 0 HD13 LEU A 49 19.182 -2.868 -19.232 1.00 4.24 H new ATOM 0 HD21 LEU A 49 16.454 -3.716 -20.381 1.00 43.10 H new ATOM 0 HD22 LEU A 49 16.666 -2.344 -19.268 1.00 43.10 H new ATOM 0 HD23 LEU A 49 15.867 -2.099 -20.839 1.00 43.10 H new ATOM 778 N TYR A 50 19.426 0.172 -23.709 1.00 11.20 N ATOM 779 CA TYR A 50 19.658 0.033 -25.149 1.00 15.22 C ATOM 780 C TYR A 50 21.157 0.119 -25.480 1.00 72.15 C ATOM 781 O TYR A 50 21.664 -0.665 -26.284 1.00 2.25 O ATOM 782 CB TYR A 50 18.882 1.099 -25.936 1.00 72.13 C ATOM 783 CG TYR A 50 17.385 0.855 -26.011 1.00 51.22 C ATOM 784 CD1 TYR A 50 16.883 -0.389 -26.389 1.00 25.15 C ATOM 785 CD2 TYR A 50 16.474 1.869 -25.731 1.00 71.31 C ATOM 786 CE1 TYR A 50 15.525 -0.612 -26.482 1.00 61.35 C ATOM 787 CE2 TYR A 50 15.113 1.648 -25.819 1.00 20.11 C ATOM 788 CZ TYR A 50 14.645 0.407 -26.196 1.00 20.51 C ATOM 789 OH TYR A 50 13.291 0.184 -26.289 1.00 42.44 O ATOM 0 H TYR A 50 18.885 0.996 -23.446 1.00 11.20 H new ATOM 0 HA TYR A 50 19.296 -0.951 -25.446 1.00 15.22 H new ATOM 0 HB2 TYR A 50 19.057 2.072 -25.477 1.00 72.13 H new ATOM 0 HB3 TYR A 50 19.281 1.148 -26.949 1.00 72.13 H new ATOM 0 HD1 TYR A 50 17.569 -1.192 -26.613 1.00 25.15 H new ATOM 0 HD2 TYR A 50 16.837 2.844 -25.440 1.00 71.31 H new ATOM 0 HE1 TYR A 50 15.154 -1.582 -26.778 1.00 61.35 H new ATOM 0 HE2 TYR A 50 14.419 2.444 -25.593 1.00 20.11 H new ATOM 0 HH TYR A 50 12.808 1.003 -26.053 1.00 42.44 H new ATOM 799 N GLU A 51 21.857 1.069 -24.855 1.00 33.41 N ATOM 800 CA GLU A 51 23.315 1.194 -25.006 1.00 52.24 C ATOM 801 C GLU A 51 24.016 -0.135 -24.679 1.00 23.05 C ATOM 802 O GLU A 51 24.896 -0.591 -25.416 1.00 33.13 O ATOM 803 CB GLU A 51 23.863 2.305 -24.093 1.00 74.35 C ATOM 804 CG GLU A 51 23.361 3.711 -24.430 1.00 51.40 C ATOM 805 CD GLU A 51 23.923 4.786 -23.502 1.00 5.43 C ATOM 806 OE1 GLU A 51 24.937 4.529 -22.815 1.00 74.41 O ATOM 807 OE2 GLU A 51 23.367 5.903 -23.463 1.00 22.51 O ATOM 0 H GLU A 51 21.440 1.766 -24.238 1.00 33.41 H new ATOM 0 HA GLU A 51 23.520 1.454 -26.045 1.00 52.24 H new ATOM 0 HB2 GLU A 51 23.595 2.075 -23.062 1.00 74.35 H new ATOM 0 HB3 GLU A 51 24.952 2.299 -24.148 1.00 74.35 H new ATOM 0 HG2 GLU A 51 23.631 3.950 -25.459 1.00 51.40 H new ATOM 0 HG3 GLU A 51 22.272 3.725 -24.375 1.00 51.40 H new ATOM 814 N ARG A 52 23.610 -0.753 -23.570 1.00 22.12 N ATOM 815 CA ARG A 52 24.126 -2.070 -23.173 1.00 45.53 C ATOM 816 C ARG A 52 23.822 -3.135 -24.241 1.00 54.34 C ATOM 817 O ARG A 52 24.675 -3.956 -24.579 1.00 24.14 O ATOM 818 CB ARG A 52 23.515 -2.491 -21.828 1.00 50.53 C ATOM 819 CG ARG A 52 23.922 -3.893 -21.377 1.00 12.13 C ATOM 820 CD ARG A 52 23.353 -4.248 -20.007 1.00 35.10 C ATOM 821 NE ARG A 52 23.583 -5.652 -19.671 1.00 45.23 N ATOM 822 CZ ARG A 52 23.261 -6.203 -18.531 1.00 63.14 C ATOM 823 NH1 ARG A 52 22.750 -5.496 -17.575 1.00 44.23 N ATOM 824 NH2 ARG A 52 23.457 -7.466 -18.347 1.00 14.13 N ATOM 0 H ARG A 52 22.922 -0.363 -22.926 1.00 22.12 H new ATOM 0 HA ARG A 52 25.208 -1.990 -23.071 1.00 45.53 H new ATOM 0 HB2 ARG A 52 23.813 -1.773 -21.064 1.00 50.53 H new ATOM 0 HB3 ARG A 52 22.429 -2.445 -21.903 1.00 50.53 H new ATOM 0 HG2 ARG A 52 23.579 -4.622 -22.111 1.00 12.13 H new ATOM 0 HG3 ARG A 52 25.009 -3.961 -21.345 1.00 12.13 H new ATOM 0 HD2 ARG A 52 23.810 -3.613 -19.248 1.00 35.10 H new ATOM 0 HD3 ARG A 52 22.283 -4.042 -19.993 1.00 35.10 H new ATOM 0 HE ARG A 52 24.026 -6.242 -20.375 1.00 45.23 H new ATOM 0 HH11 ARG A 52 22.594 -4.497 -17.707 1.00 44.23 H new ATOM 0 HH12 ARG A 52 22.503 -5.938 -16.690 1.00 44.23 H new ATOM 0 HH21 ARG A 52 23.863 -8.033 -19.091 1.00 14.13 H new ATOM 0 HH22 ARG A 52 23.206 -7.897 -17.457 1.00 14.13 H new ATOM 838 N LEU A 53 22.605 -3.099 -24.777 1.00 64.42 N ATOM 839 CA LEU A 53 22.161 -4.074 -25.784 1.00 44.33 C ATOM 840 C LEU A 53 22.627 -3.707 -27.209 1.00 51.03 C ATOM 841 O LEU A 53 22.149 -4.291 -28.184 1.00 53.25 O ATOM 842 CB LEU A 53 20.629 -4.185 -25.754 1.00 44.11 C ATOM 843 CG LEU A 53 20.036 -4.725 -24.443 1.00 54.01 C ATOM 844 CD1 LEU A 53 18.510 -4.694 -24.481 1.00 72.13 C ATOM 845 CD2 LEU A 53 20.544 -6.142 -24.168 1.00 71.13 C ATOM 0 H LEU A 53 21.901 -2.403 -24.533 1.00 64.42 H new ATOM 0 HA LEU A 53 22.616 -5.032 -25.531 1.00 44.33 H new ATOM 0 HB2 LEU A 53 20.206 -3.199 -25.946 1.00 44.11 H new ATOM 0 HB3 LEU A 53 20.312 -4.833 -26.571 1.00 44.11 H new ATOM 0 HG LEU A 53 20.364 -4.079 -23.629 1.00 54.01 H new ATOM 0 HD11 LEU A 53 18.115 -5.081 -23.542 1.00 72.13 H new ATOM 0 HD12 LEU A 53 18.170 -3.668 -24.622 1.00 72.13 H new ATOM 0 HD13 LEU A 53 18.154 -5.311 -25.306 1.00 72.13 H new ATOM 0 HD21 LEU A 53 20.114 -6.508 -23.236 1.00 71.13 H new ATOM 0 HD22 LEU A 53 20.250 -6.799 -24.986 1.00 71.13 H new ATOM 0 HD23 LEU A 53 21.631 -6.129 -24.086 1.00 71.13 H new ATOM 857 N ASP A 54 23.552 -2.746 -27.323 1.00 0.12 N ATOM 858 CA ASP A 54 24.081 -2.295 -28.627 1.00 4.05 C ATOM 859 C ASP A 54 23.001 -1.574 -29.468 1.00 44.52 C ATOM 860 O ASP A 54 23.241 -1.169 -30.608 1.00 52.23 O ATOM 861 CB ASP A 54 24.684 -3.488 -29.400 1.00 70.23 C ATOM 862 CG ASP A 54 25.306 -3.083 -30.728 1.00 25.04 C ATOM 863 OD1 ASP A 54 26.326 -2.358 -30.716 1.00 55.33 O ATOM 864 OD2 ASP A 54 24.773 -3.480 -31.792 1.00 12.34 O ATOM 0 H ASP A 54 23.956 -2.259 -26.523 1.00 0.12 H new ATOM 0 HA ASP A 54 24.871 -1.569 -28.435 1.00 4.05 H new ATOM 0 HB2 ASP A 54 25.442 -3.969 -28.782 1.00 70.23 H new ATOM 0 HB3 ASP A 54 23.904 -4.228 -29.581 1.00 70.23 H new ATOM 869 N ARG A 55 21.823 -1.378 -28.880 1.00 42.31 N ATOM 870 CA ARG A 55 20.698 -0.743 -29.572 1.00 74.02 C ATOM 871 C ARG A 55 20.826 0.788 -29.557 1.00 50.43 C ATOM 872 O ARG A 55 19.955 1.499 -29.048 1.00 15.11 O ATOM 873 CB ARG A 55 19.377 -1.179 -28.920 1.00 44.44 C ATOM 874 CG ARG A 55 19.126 -2.685 -28.966 1.00 65.01 C ATOM 875 CD ARG A 55 19.147 -3.218 -30.395 1.00 20.41 C ATOM 876 NE ARG A 55 18.229 -2.482 -31.259 1.00 24.51 N ATOM 877 CZ ARG A 55 17.897 -2.845 -32.463 1.00 52.10 C ATOM 878 NH1 ARG A 55 18.388 -3.922 -32.987 1.00 34.34 N ATOM 879 NH2 ARG A 55 17.075 -2.114 -33.142 1.00 33.44 N ATOM 0 H ARG A 55 21.620 -1.651 -27.919 1.00 42.31 H new ATOM 0 HA ARG A 55 20.708 -1.064 -30.614 1.00 74.02 H new ATOM 0 HB2 ARG A 55 19.372 -0.852 -27.880 1.00 44.44 H new ATOM 0 HB3 ARG A 55 18.553 -0.669 -29.418 1.00 44.44 H new ATOM 0 HG2 ARG A 55 19.885 -3.198 -28.375 1.00 65.01 H new ATOM 0 HG3 ARG A 55 18.162 -2.907 -28.509 1.00 65.01 H new ATOM 0 HD2 ARG A 55 20.159 -3.148 -30.795 1.00 20.41 H new ATOM 0 HD3 ARG A 55 18.878 -4.274 -30.394 1.00 20.41 H new ATOM 0 HE ARG A 55 17.819 -1.623 -30.893 1.00 24.51 H new ATOM 0 HH11 ARG A 55 19.042 -4.496 -32.455 1.00 34.34 H new ATOM 0 HH12 ARG A 55 18.121 -4.197 -33.932 1.00 34.34 H new ATOM 0 HH21 ARG A 55 16.693 -1.261 -32.733 1.00 33.44 H new ATOM 0 HH22 ARG A 55 16.808 -2.390 -34.087 1.00 33.44 H new ATOM 893 N THR A 56 21.925 1.283 -30.126 1.00 74.54 N ATOM 894 CA THR A 56 22.198 2.724 -30.207 1.00 23.10 C ATOM 895 C THR A 56 21.037 3.480 -30.872 1.00 51.22 C ATOM 896 O THR A 56 20.666 4.573 -30.444 1.00 14.31 O ATOM 897 CB THR A 56 23.505 3.000 -30.998 1.00 45.24 C ATOM 898 OG1 THR A 56 24.585 2.222 -30.450 1.00 54.24 O ATOM 899 CG2 THR A 56 23.879 4.480 -30.955 1.00 4.10 C ATOM 0 H THR A 56 22.651 0.701 -30.544 1.00 74.54 H new ATOM 0 HA THR A 56 22.313 3.083 -29.184 1.00 23.10 H new ATOM 0 HB THR A 56 23.332 2.716 -32.036 1.00 45.24 H new ATOM 0 HG1 THR A 56 25.406 2.400 -30.955 1.00 54.24 H new ATOM 0 HG21 THR A 56 24.799 4.639 -31.518 1.00 4.10 H new ATOM 0 HG22 THR A 56 23.076 5.071 -31.396 1.00 4.10 H new ATOM 0 HG23 THR A 56 24.029 4.787 -29.920 1.00 4.10 H new ATOM 907 N ASP A 57 20.458 2.874 -31.907 1.00 31.42 N ATOM 908 CA ASP A 57 19.337 3.474 -32.642 1.00 61.44 C ATOM 909 C ASP A 57 18.154 3.789 -31.710 1.00 43.34 C ATOM 910 O ASP A 57 17.663 4.920 -31.665 1.00 22.12 O ATOM 911 CB ASP A 57 18.882 2.515 -33.747 1.00 4.41 C ATOM 912 CG ASP A 57 17.759 3.081 -34.601 1.00 10.43 C ATOM 913 OD1 ASP A 57 18.053 3.813 -35.571 1.00 54.42 O ATOM 914 OD2 ASP A 57 16.582 2.791 -34.308 1.00 21.11 O ATOM 0 H ASP A 57 20.746 1.962 -32.260 1.00 31.42 H new ATOM 0 HA ASP A 57 19.679 4.413 -33.078 1.00 61.44 H new ATOM 0 HB2 ASP A 57 19.732 2.277 -34.386 1.00 4.41 H new ATOM 0 HB3 ASP A 57 18.551 1.580 -33.295 1.00 4.41 H new ATOM 919 N ASP A 58 17.717 2.779 -30.963 1.00 54.43 N ATOM 920 CA ASP A 58 16.589 2.921 -30.042 1.00 2.04 C ATOM 921 C ASP A 58 16.927 3.876 -28.888 1.00 13.24 C ATOM 922 O ASP A 58 16.089 4.674 -28.464 1.00 3.33 O ATOM 923 CB ASP A 58 16.198 1.547 -29.494 1.00 60.13 C ATOM 924 CG ASP A 58 15.944 0.546 -30.604 1.00 2.21 C ATOM 925 OD1 ASP A 58 16.923 -0.012 -31.138 1.00 22.23 O ATOM 926 OD2 ASP A 58 14.768 0.327 -30.960 1.00 10.44 O ATOM 0 H ASP A 58 18.129 1.846 -30.977 1.00 54.43 H new ATOM 0 HA ASP A 58 15.749 3.347 -30.590 1.00 2.04 H new ATOM 0 HB2 ASP A 58 16.991 1.176 -28.845 1.00 60.13 H new ATOM 0 HB3 ASP A 58 15.303 1.643 -28.880 1.00 60.13 H new ATOM 931 N ALA A 59 18.160 3.784 -28.386 1.00 74.35 N ATOM 932 CA ALA A 59 18.622 4.655 -27.298 1.00 11.22 C ATOM 933 C ALA A 59 18.499 6.139 -27.670 1.00 73.32 C ATOM 934 O ALA A 59 17.830 6.910 -26.980 1.00 74.02 O ATOM 935 CB ALA A 59 20.068 4.324 -26.936 1.00 3.31 C ATOM 0 H ALA A 59 18.858 3.116 -28.714 1.00 74.35 H new ATOM 0 HA ALA A 59 17.983 4.473 -26.434 1.00 11.22 H new ATOM 0 HB1 ALA A 59 20.399 4.976 -26.128 1.00 3.31 H new ATOM 0 HB2 ALA A 59 20.134 3.285 -26.613 1.00 3.31 H new ATOM 0 HB3 ALA A 59 20.705 4.474 -27.808 1.00 3.31 H new ATOM 941 N ILE A 60 19.124 6.519 -28.785 1.00 2.03 N ATOM 942 CA ILE A 60 19.127 7.912 -29.243 1.00 62.03 C ATOM 943 C ILE A 60 17.699 8.446 -29.450 1.00 3.32 C ATOM 944 O ILE A 60 17.378 9.562 -29.032 1.00 34.15 O ATOM 945 CB ILE A 60 19.939 8.067 -30.556 1.00 74.43 C ATOM 946 CG1 ILE A 60 21.403 7.647 -30.327 1.00 63.35 C ATOM 947 CG2 ILE A 60 19.864 9.505 -31.079 1.00 4.20 C ATOM 948 CD1 ILE A 60 22.260 7.704 -31.576 1.00 3.24 C ATOM 0 H ILE A 60 19.637 5.879 -29.391 1.00 2.03 H new ATOM 0 HA ILE A 60 19.604 8.501 -28.460 1.00 62.03 H new ATOM 0 HB ILE A 60 19.502 7.413 -31.311 1.00 74.43 H new ATOM 0 HG12 ILE A 60 21.842 8.294 -29.567 1.00 63.35 H new ATOM 0 HG13 ILE A 60 21.422 6.632 -29.931 1.00 63.35 H new ATOM 0 HG21 ILE A 60 20.441 9.588 -32.000 1.00 4.20 H new ATOM 0 HG22 ILE A 60 18.825 9.766 -31.277 1.00 4.20 H new ATOM 0 HG23 ILE A 60 20.273 10.186 -30.332 1.00 4.20 H new ATOM 0 HD11 ILE A 60 23.277 7.394 -31.334 1.00 3.24 H new ATOM 0 HD12 ILE A 60 21.847 7.036 -32.331 1.00 3.24 H new ATOM 0 HD13 ILE A 60 22.273 8.723 -31.962 1.00 3.24 H new ATOM 960 N ASP A 61 16.843 7.642 -30.079 1.00 13.30 N ATOM 961 CA ASP A 61 15.453 8.041 -30.328 1.00 4.22 C ATOM 962 C ASP A 61 14.673 8.206 -29.008 1.00 41.44 C ATOM 963 O ASP A 61 13.903 9.155 -28.839 1.00 40.21 O ATOM 964 CB ASP A 61 14.766 7.020 -31.240 1.00 71.42 C ATOM 965 CG ASP A 61 13.448 7.539 -31.782 1.00 31.13 C ATOM 966 OD1 ASP A 61 13.474 8.462 -32.626 1.00 40.14 O ATOM 967 OD2 ASP A 61 12.382 7.043 -31.369 1.00 72.12 O ATOM 0 H ASP A 61 17.083 6.713 -30.425 1.00 13.30 H new ATOM 0 HA ASP A 61 15.461 9.009 -30.829 1.00 4.22 H new ATOM 0 HB2 ASP A 61 15.427 6.773 -32.070 1.00 71.42 H new ATOM 0 HB3 ASP A 61 14.592 6.098 -30.686 1.00 71.42 H new ATOM 972 N THR A 62 14.895 7.285 -28.069 1.00 74.43 N ATOM 973 CA THR A 62 14.289 7.374 -26.732 1.00 61.55 C ATOM 974 C THR A 62 14.704 8.674 -26.026 1.00 52.14 C ATOM 975 O THR A 62 13.885 9.342 -25.387 1.00 33.50 O ATOM 976 CB THR A 62 14.680 6.160 -25.845 1.00 73.11 C ATOM 977 OG1 THR A 62 14.178 4.943 -26.422 1.00 41.03 O ATOM 978 CG2 THR A 62 14.134 6.303 -24.428 1.00 40.40 C ATOM 0 H THR A 62 15.489 6.467 -28.206 1.00 74.43 H new ATOM 0 HA THR A 62 13.208 7.369 -26.872 1.00 61.55 H new ATOM 0 HB THR A 62 15.768 6.128 -25.796 1.00 73.11 H new ATOM 0 HG1 THR A 62 14.741 4.685 -27.181 1.00 41.03 H new ATOM 0 HG21 THR A 62 14.427 5.436 -23.836 1.00 40.40 H new ATOM 0 HG22 THR A 62 14.538 7.207 -23.972 1.00 40.40 H new ATOM 0 HG23 THR A 62 13.047 6.369 -24.462 1.00 40.40 H new ATOM 986 N TYR A 63 15.980 9.037 -26.154 1.00 74.35 N ATOM 987 CA TYR A 63 16.478 10.301 -25.599 1.00 55.12 C ATOM 988 C TYR A 63 15.856 11.512 -26.313 1.00 4.34 C ATOM 989 O TYR A 63 15.588 12.530 -25.685 1.00 15.24 O ATOM 990 CB TYR A 63 18.011 10.378 -25.687 1.00 72.34 C ATOM 991 CG TYR A 63 18.735 9.354 -24.829 1.00 55.00 C ATOM 992 CD1 TYR A 63 18.455 9.234 -23.470 1.00 22.45 C ATOM 993 CD2 TYR A 63 19.697 8.510 -25.375 1.00 3.30 C ATOM 994 CE1 TYR A 63 19.110 8.305 -22.686 1.00 30.41 C ATOM 995 CE2 TYR A 63 20.354 7.578 -24.596 1.00 55.13 C ATOM 996 CZ TYR A 63 20.057 7.479 -23.252 1.00 72.13 C ATOM 997 OH TYR A 63 20.709 6.553 -22.472 1.00 52.13 O ATOM 0 H TYR A 63 16.686 8.479 -26.634 1.00 74.35 H new ATOM 0 HA TYR A 63 16.183 10.328 -24.550 1.00 55.12 H new ATOM 0 HB2 TYR A 63 18.312 10.243 -26.726 1.00 72.34 H new ATOM 0 HB3 TYR A 63 18.331 11.377 -25.390 1.00 72.34 H new ATOM 0 HD1 TYR A 63 17.713 9.878 -23.022 1.00 22.45 H new ATOM 0 HD2 TYR A 63 19.934 8.585 -26.426 1.00 3.30 H new ATOM 0 HE1 TYR A 63 18.881 8.226 -21.633 1.00 30.41 H new ATOM 0 HE2 TYR A 63 21.097 6.930 -25.037 1.00 55.13 H new ATOM 0 HH TYR A 63 21.570 6.328 -22.882 1.00 52.13 H new ATOM 1007 N ALA A 64 15.624 11.393 -27.622 1.00 53.03 N ATOM 1008 CA ALA A 64 15.029 12.481 -28.415 1.00 52.24 C ATOM 1009 C ALA A 64 13.659 12.908 -27.863 1.00 2.23 C ATOM 1010 O ALA A 64 13.446 14.078 -27.538 1.00 41.34 O ATOM 1011 CB ALA A 64 14.900 12.061 -29.876 1.00 41.14 C ATOM 0 H ALA A 64 15.838 10.553 -28.160 1.00 53.03 H new ATOM 0 HA ALA A 64 15.696 13.341 -28.345 1.00 52.24 H new ATOM 0 HB1 ALA A 64 14.459 12.875 -30.451 1.00 41.14 H new ATOM 0 HB2 ALA A 64 15.887 11.828 -30.276 1.00 41.14 H new ATOM 0 HB3 ALA A 64 14.262 11.180 -29.946 1.00 41.14 H new ATOM 1017 N GLN A 65 12.734 11.954 -27.752 1.00 52.35 N ATOM 1018 CA GLN A 65 11.407 12.231 -27.185 1.00 32.43 C ATOM 1019 C GLN A 65 11.538 12.562 -25.687 1.00 2.42 C ATOM 1020 O GLN A 65 10.804 13.396 -25.149 1.00 12.04 O ATOM 1021 CB GLN A 65 10.473 11.022 -27.403 1.00 30.31 C ATOM 1022 CG GLN A 65 8.977 11.369 -27.473 1.00 35.51 C ATOM 1023 CD GLN A 65 8.356 11.762 -26.135 1.00 20.22 C ATOM 1024 OE1 GLN A 65 8.827 11.170 -25.055 1.00 34.42 O flip ATOM 1025 NE2 GLN A 65 7.434 12.572 -26.076 1.00 60.32 N flip ATOM 0 H GLN A 65 12.874 10.987 -28.044 1.00 52.35 H new ATOM 0 HA GLN A 65 10.971 13.092 -27.692 1.00 32.43 H new ATOM 0 HB2 GLN A 65 10.759 10.521 -28.328 1.00 30.31 H new ATOM 0 HB3 GLN A 65 10.629 10.309 -26.593 1.00 30.31 H new ATOM 0 HG2 GLN A 65 8.840 12.189 -28.178 1.00 35.51 H new ATOM 0 HG3 GLN A 65 8.436 10.511 -27.872 1.00 35.51 H new ATOM 0 HE21 GLN A 65 7.089 13.015 -26.928 1.00 60.32 H new ATOM 0 HE22 GLN A 65 7.013 12.801 -25.175 1.00 60.32 H new ATOM 1034 N GLY A 66 12.492 11.905 -25.022 1.00 15.21 N ATOM 1035 CA GLY A 66 12.775 12.198 -23.621 1.00 73.30 C ATOM 1036 C GLY A 66 13.156 13.658 -23.388 1.00 14.22 C ATOM 1037 O GLY A 66 12.715 14.273 -22.420 1.00 64.01 O ATOM 0 H GLY A 66 13.075 11.174 -25.429 1.00 15.21 H new ATOM 0 HA2 GLY A 66 11.899 11.955 -23.019 1.00 73.30 H new ATOM 0 HA3 GLY A 66 13.586 11.556 -23.277 1.00 73.30 H new ATOM 1041 N ILE A 67 13.974 14.207 -24.285 1.00 53.32 N ATOM 1042 CA ILE A 67 14.380 15.619 -24.237 1.00 63.02 C ATOM 1043 C ILE A 67 13.163 16.555 -24.138 1.00 41.43 C ATOM 1044 O ILE A 67 13.153 17.505 -23.349 1.00 2.34 O ATOM 1045 CB ILE A 67 15.225 15.982 -25.494 1.00 64.03 C ATOM 1046 CG1 ILE A 67 16.641 15.389 -25.374 1.00 74.25 C ATOM 1047 CG2 ILE A 67 15.284 17.495 -25.725 1.00 34.23 C ATOM 1048 CD1 ILE A 67 17.498 15.585 -26.610 1.00 12.42 C ATOM 0 H ILE A 67 14.376 13.689 -25.067 1.00 53.32 H new ATOM 0 HA ILE A 67 14.986 15.757 -23.341 1.00 63.02 H new ATOM 0 HB ILE A 67 14.733 15.545 -26.363 1.00 64.03 H new ATOM 0 HG12 ILE A 67 17.143 15.844 -24.520 1.00 74.25 H new ATOM 0 HG13 ILE A 67 16.561 14.322 -25.165 1.00 74.25 H new ATOM 0 HG21 ILE A 67 15.883 17.705 -26.611 1.00 34.23 H new ATOM 0 HG22 ILE A 67 14.275 17.881 -25.869 1.00 34.23 H new ATOM 0 HG23 ILE A 67 15.736 17.978 -24.859 1.00 34.23 H new ATOM 0 HD11 ILE A 67 18.479 15.140 -26.447 1.00 12.42 H new ATOM 0 HD12 ILE A 67 17.020 15.105 -27.464 1.00 12.42 H new ATOM 0 HD13 ILE A 67 17.611 16.651 -26.809 1.00 12.42 H new ATOM 1060 N GLU A 68 12.135 16.257 -24.926 1.00 55.24 N ATOM 1061 CA GLU A 68 10.921 17.077 -24.972 1.00 22.13 C ATOM 1062 C GLU A 68 10.202 17.089 -23.611 1.00 22.04 C ATOM 1063 O GLU A 68 9.951 18.153 -23.035 1.00 11.52 O ATOM 1064 CB GLU A 68 9.989 16.553 -26.077 1.00 11.43 C ATOM 1065 CG GLU A 68 10.696 16.374 -27.420 1.00 5.42 C ATOM 1066 CD GLU A 68 9.760 15.979 -28.553 1.00 24.21 C ATOM 1067 OE1 GLU A 68 9.351 14.802 -28.620 1.00 43.02 O ATOM 1068 OE2 GLU A 68 9.445 16.847 -29.396 1.00 74.23 O ATOM 0 H GLU A 68 12.115 15.448 -25.547 1.00 55.24 H new ATOM 0 HA GLU A 68 11.203 18.105 -25.199 1.00 22.13 H new ATOM 0 HB2 GLU A 68 9.566 15.598 -25.765 1.00 11.43 H new ATOM 0 HB3 GLU A 68 9.156 17.245 -26.201 1.00 11.43 H new ATOM 0 HG2 GLU A 68 11.199 17.304 -27.683 1.00 5.42 H new ATOM 0 HG3 GLU A 68 11.469 15.612 -27.316 1.00 5.42 H new ATOM 1075 N VAL A 69 9.893 15.905 -23.083 1.00 64.35 N ATOM 1076 CA VAL A 69 9.222 15.802 -21.779 1.00 43.44 C ATOM 1077 C VAL A 69 10.153 16.221 -20.622 1.00 71.15 C ATOM 1078 O VAL A 69 9.689 16.647 -19.565 1.00 11.21 O ATOM 1079 CB VAL A 69 8.683 14.370 -21.517 1.00 5.12 C ATOM 1080 CG1 VAL A 69 7.726 13.943 -22.628 1.00 54.55 C ATOM 1081 CG2 VAL A 69 9.825 13.366 -21.362 1.00 53.13 C ATOM 0 H VAL A 69 10.092 15.010 -23.529 1.00 64.35 H new ATOM 0 HA VAL A 69 8.378 16.490 -21.816 1.00 43.44 H new ATOM 0 HB VAL A 69 8.130 14.387 -20.578 1.00 5.12 H new ATOM 0 HG11 VAL A 69 7.359 12.937 -22.426 1.00 54.55 H new ATOM 0 HG12 VAL A 69 6.884 14.634 -22.669 1.00 54.55 H new ATOM 0 HG13 VAL A 69 8.250 13.953 -23.584 1.00 54.55 H new ATOM 0 HG21 VAL A 69 9.414 12.373 -21.180 1.00 53.13 H new ATOM 0 HG22 VAL A 69 10.422 13.350 -22.274 1.00 53.13 H new ATOM 0 HG23 VAL A 69 10.455 13.658 -20.522 1.00 53.13 H new ATOM 1091 N ALA A 70 11.466 16.115 -20.837 1.00 73.33 N ATOM 1092 CA ALA A 70 12.453 16.495 -19.818 1.00 40.44 C ATOM 1093 C ALA A 70 12.446 18.004 -19.555 1.00 60.34 C ATOM 1094 O ALA A 70 12.345 18.442 -18.413 1.00 3.10 O ATOM 1095 CB ALA A 70 13.850 16.047 -20.229 1.00 1.15 C ATOM 0 H ALA A 70 11.873 15.770 -21.706 1.00 73.33 H new ATOM 0 HA ALA A 70 12.172 15.990 -18.894 1.00 40.44 H new ATOM 0 HB1 ALA A 70 14.566 16.338 -19.461 1.00 1.15 H new ATOM 0 HB2 ALA A 70 13.865 14.963 -20.347 1.00 1.15 H new ATOM 0 HB3 ALA A 70 14.120 16.518 -21.174 1.00 1.15 H new ATOM 1101 N ARG A 71 12.555 18.797 -20.617 1.00 21.25 N ATOM 1102 CA ARG A 71 12.569 20.258 -20.483 1.00 70.41 C ATOM 1103 C ARG A 71 11.223 20.804 -19.976 1.00 30.24 C ATOM 1104 O ARG A 71 11.185 21.783 -19.228 1.00 62.05 O ATOM 1105 CB ARG A 71 12.933 20.924 -21.819 1.00 44.20 C ATOM 1106 CG ARG A 71 12.005 20.556 -22.976 1.00 72.41 C ATOM 1107 CD ARG A 71 12.286 21.399 -24.214 1.00 70.30 C ATOM 1108 NE ARG A 71 12.038 22.819 -23.969 1.00 62.10 N ATOM 1109 CZ ARG A 71 12.637 23.795 -24.598 1.00 63.10 C ATOM 1110 NH1 ARG A 71 13.527 23.552 -25.505 1.00 40.43 N ATOM 1111 NH2 ARG A 71 12.351 25.019 -24.300 1.00 31.41 N ATOM 0 H ARG A 71 12.635 18.459 -21.576 1.00 21.25 H new ATOM 0 HA ARG A 71 13.330 20.502 -19.741 1.00 70.41 H new ATOM 0 HB2 ARG A 71 12.920 22.006 -21.688 1.00 44.20 H new ATOM 0 HB3 ARG A 71 13.953 20.647 -22.084 1.00 44.20 H new ATOM 0 HG2 ARG A 71 12.127 19.501 -23.219 1.00 72.41 H new ATOM 0 HG3 ARG A 71 10.968 20.694 -22.669 1.00 72.41 H new ATOM 0 HD2 ARG A 71 13.322 21.258 -24.523 1.00 70.30 H new ATOM 0 HD3 ARG A 71 11.659 21.057 -25.037 1.00 70.30 H new ATOM 0 HE ARG A 71 11.350 23.065 -23.258 1.00 62.10 H new ATOM 0 HH11 ARG A 71 13.769 22.589 -25.737 1.00 40.43 H new ATOM 0 HH12 ARG A 71 13.987 24.324 -25.988 1.00 40.43 H new ATOM 0 HH21 ARG A 71 11.660 25.220 -23.577 1.00 31.41 H new ATOM 0 HH22 ARG A 71 12.816 25.785 -24.788 1.00 31.41 H new ATOM 1125 N GLU A 72 10.121 20.171 -20.384 1.00 51.02 N ATOM 1126 CA GLU A 72 8.781 20.655 -20.024 1.00 5.04 C ATOM 1127 C GLU A 72 8.285 20.107 -18.669 1.00 21.30 C ATOM 1128 O GLU A 72 7.890 20.877 -17.794 1.00 14.04 O ATOM 1129 CB GLU A 72 7.783 20.304 -21.135 1.00 40.30 C ATOM 1130 CG GLU A 72 8.128 20.921 -22.489 1.00 25.12 C ATOM 1131 CD GLU A 72 8.282 22.436 -22.428 1.00 74.05 C ATOM 1132 OE1 GLU A 72 7.308 23.123 -22.064 1.00 55.11 O ATOM 1133 OE2 GLU A 72 9.383 22.949 -22.728 1.00 13.14 O ATOM 0 H GLU A 72 10.126 19.329 -20.959 1.00 51.02 H new ATOM 0 HA GLU A 72 8.852 21.737 -19.916 1.00 5.04 H new ATOM 0 HB2 GLU A 72 7.737 19.220 -21.241 1.00 40.30 H new ATOM 0 HB3 GLU A 72 6.789 20.637 -20.837 1.00 40.30 H new ATOM 0 HG2 GLU A 72 9.055 20.481 -22.858 1.00 25.12 H new ATOM 0 HG3 GLU A 72 7.348 20.669 -23.207 1.00 25.12 H new ATOM 1140 N GLU A 73 8.318 18.789 -18.488 1.00 14.02 N ATOM 1141 CA GLU A 73 7.784 18.164 -17.265 1.00 24.22 C ATOM 1142 C GLU A 73 8.868 17.940 -16.197 1.00 53.11 C ATOM 1143 O GLU A 73 8.582 17.931 -14.996 1.00 24.51 O ATOM 1144 CB GLU A 73 7.106 16.831 -17.613 1.00 31.14 C ATOM 1145 CG GLU A 73 5.930 16.972 -18.577 1.00 21.00 C ATOM 1146 CD GLU A 73 4.826 17.876 -18.037 1.00 70.21 C ATOM 1147 OE1 GLU A 73 4.008 17.405 -17.219 1.00 14.41 O ATOM 1148 OE2 GLU A 73 4.768 19.064 -18.425 1.00 44.11 O ATOM 0 H GLU A 73 8.705 18.130 -19.164 1.00 14.02 H new ATOM 0 HA GLU A 73 7.053 18.853 -16.842 1.00 24.22 H new ATOM 0 HB2 GLU A 73 7.846 16.161 -18.052 1.00 31.14 H new ATOM 0 HB3 GLU A 73 6.756 16.361 -16.694 1.00 31.14 H new ATOM 0 HG2 GLU A 73 6.290 17.372 -19.525 1.00 21.00 H new ATOM 0 HG3 GLU A 73 5.516 15.985 -18.784 1.00 21.00 H new ATOM 1155 N GLY A 74 10.106 17.741 -16.632 1.00 43.23 N ATOM 1156 CA GLY A 74 11.213 17.573 -15.693 1.00 54.33 C ATOM 1157 C GLY A 74 11.956 18.877 -15.422 1.00 0.33 C ATOM 1158 O GLY A 74 11.351 19.880 -15.042 1.00 54.53 O ATOM 0 H GLY A 74 10.369 17.692 -17.616 1.00 43.23 H new ATOM 0 HA2 GLY A 74 10.830 17.175 -14.753 1.00 54.33 H new ATOM 0 HA3 GLY A 74 11.912 16.837 -16.089 1.00 54.33 H new ATOM 1162 N THR A 75 13.269 18.870 -15.624 1.00 3.23 N ATOM 1163 CA THR A 75 14.090 20.074 -15.439 1.00 60.10 C ATOM 1164 C THR A 75 15.251 20.112 -16.431 1.00 62.14 C ATOM 1165 O THR A 75 15.637 19.085 -16.999 1.00 3.05 O ATOM 1166 CB THR A 75 14.663 20.187 -14.002 1.00 4.22 C ATOM 1167 OG1 THR A 75 15.548 21.317 -13.910 1.00 3.35 O ATOM 1168 CG2 THR A 75 15.416 18.924 -13.608 1.00 64.40 C ATOM 0 H THR A 75 13.794 18.046 -15.916 1.00 3.23 H new ATOM 0 HA THR A 75 13.423 20.918 -15.616 1.00 60.10 H new ATOM 0 HB THR A 75 13.824 20.319 -13.318 1.00 4.22 H new ATOM 0 HG1 THR A 75 15.903 21.381 -12.999 1.00 3.35 H new ATOM 0 HG21 THR A 75 15.806 19.034 -12.596 1.00 64.40 H new ATOM 0 HG22 THR A 75 14.739 18.070 -13.646 1.00 64.40 H new ATOM 0 HG23 THR A 75 16.243 18.763 -14.300 1.00 64.40 H new ATOM 1176 N GLN A 76 15.818 21.300 -16.617 1.00 30.25 N ATOM 1177 CA GLN A 76 16.935 21.498 -17.546 1.00 22.35 C ATOM 1178 C GLN A 76 18.167 20.676 -17.126 1.00 24.22 C ATOM 1179 O GLN A 76 19.022 20.349 -17.949 1.00 24.12 O ATOM 1180 CB GLN A 76 17.276 22.994 -17.625 1.00 71.12 C ATOM 1181 CG GLN A 76 18.301 23.353 -18.696 1.00 30.45 C ATOM 1182 CD GLN A 76 18.480 24.855 -18.837 1.00 31.02 C ATOM 1183 OE1 GLN A 76 19.327 25.458 -18.184 1.00 34.35 O ATOM 1184 NE2 GLN A 76 17.679 25.472 -19.684 1.00 54.53 N ATOM 0 H GLN A 76 15.522 22.149 -16.134 1.00 30.25 H new ATOM 0 HA GLN A 76 16.634 21.146 -18.533 1.00 22.35 H new ATOM 0 HB2 GLN A 76 16.360 23.553 -17.815 1.00 71.12 H new ATOM 0 HB3 GLN A 76 17.653 23.320 -16.655 1.00 71.12 H new ATOM 0 HG2 GLN A 76 19.259 22.896 -18.448 1.00 30.45 H new ATOM 0 HG3 GLN A 76 17.987 22.935 -19.652 1.00 30.45 H new ATOM 0 HE21 GLN A 76 16.986 24.940 -20.211 1.00 54.53 H new ATOM 0 HE22 GLN A 76 17.752 26.481 -19.812 1.00 54.53 H new ATOM 1193 N LYS A 77 18.236 20.323 -15.845 1.00 41.34 N ATOM 1194 CA LYS A 77 19.337 19.501 -15.329 1.00 0.20 C ATOM 1195 C LYS A 77 19.282 18.067 -15.895 1.00 44.22 C ATOM 1196 O LYS A 77 20.282 17.548 -16.394 1.00 43.45 O ATOM 1197 CB LYS A 77 19.297 19.485 -13.795 1.00 3.32 C ATOM 1198 CG LYS A 77 20.484 18.777 -13.147 1.00 65.30 C ATOM 1199 CD LYS A 77 20.505 18.976 -11.631 1.00 25.53 C ATOM 1200 CE LYS A 77 20.633 20.451 -11.254 1.00 14.33 C ATOM 1201 NZ LYS A 77 20.645 20.657 -9.783 1.00 54.40 N ATOM 0 H LYS A 77 17.546 20.591 -15.143 1.00 41.34 H new ATOM 0 HA LYS A 77 20.279 19.942 -15.655 1.00 0.20 H new ATOM 0 HB2 LYS A 77 19.259 20.512 -13.433 1.00 3.32 H new ATOM 0 HB3 LYS A 77 18.377 18.998 -13.471 1.00 3.32 H new ATOM 0 HG2 LYS A 77 20.440 17.712 -13.373 1.00 65.30 H new ATOM 0 HG3 LYS A 77 21.412 19.156 -13.576 1.00 65.30 H new ATOM 0 HD2 LYS A 77 19.591 18.568 -11.198 1.00 25.53 H new ATOM 0 HD3 LYS A 77 21.337 18.418 -11.203 1.00 25.53 H new ATOM 0 HE2 LYS A 77 21.550 20.855 -11.683 1.00 14.33 H new ATOM 0 HE3 LYS A 77 19.804 21.009 -11.690 1.00 14.33 H new ATOM 0 HZ1 LYS A 77 20.733 21.672 -9.575 1.00 54.40 H new ATOM 0 HZ2 LYS A 77 19.759 20.296 -9.375 1.00 54.40 H new ATOM 0 HZ3 LYS A 77 21.451 20.147 -9.368 1.00 54.40 H new ATOM 1215 N ASP A 78 18.108 17.434 -15.825 1.00 71.23 N ATOM 1216 CA ASP A 78 17.898 16.119 -16.450 1.00 71.21 C ATOM 1217 C ASP A 78 17.953 16.227 -17.982 1.00 51.24 C ATOM 1218 O ASP A 78 18.385 15.301 -18.671 1.00 64.14 O ATOM 1219 CB ASP A 78 16.557 15.521 -16.005 1.00 33.13 C ATOM 1220 CG ASP A 78 16.573 15.097 -14.546 1.00 43.41 C ATOM 1221 OD1 ASP A 78 16.619 15.982 -13.667 1.00 64.23 O ATOM 1222 OD2 ASP A 78 16.539 13.878 -14.272 1.00 73.23 O ATOM 0 H ASP A 78 17.289 17.807 -15.344 1.00 71.23 H new ATOM 0 HA ASP A 78 18.700 15.456 -16.125 1.00 71.21 H new ATOM 0 HB2 ASP A 78 15.765 16.254 -16.160 1.00 33.13 H new ATOM 0 HB3 ASP A 78 16.320 14.659 -16.629 1.00 33.13 H new ATOM 1227 N LEU A 79 17.508 17.371 -18.504 1.00 74.43 N ATOM 1228 CA LEU A 79 17.622 17.673 -19.936 1.00 73.50 C ATOM 1229 C LEU A 79 19.084 17.542 -20.404 1.00 4.24 C ATOM 1230 O LEU A 79 19.362 16.982 -21.465 1.00 13.11 O ATOM 1231 CB LEU A 79 17.101 19.092 -20.210 1.00 42.13 C ATOM 1232 CG LEU A 79 17.194 19.575 -21.666 1.00 13.03 C ATOM 1233 CD1 LEU A 79 16.350 18.697 -22.581 1.00 11.14 C ATOM 1234 CD2 LEU A 79 16.770 21.038 -21.779 1.00 71.21 C ATOM 0 H LEU A 79 17.063 18.108 -17.956 1.00 74.43 H new ATOM 0 HA LEU A 79 17.020 16.957 -20.495 1.00 73.50 H new ATOM 0 HB2 LEU A 79 16.058 19.141 -19.898 1.00 42.13 H new ATOM 0 HB3 LEU A 79 17.655 19.789 -19.581 1.00 42.13 H new ATOM 0 HG LEU A 79 18.234 19.497 -21.984 1.00 13.03 H new ATOM 0 HD11 LEU A 79 16.431 19.057 -23.607 1.00 11.14 H new ATOM 0 HD12 LEU A 79 16.707 17.668 -22.528 1.00 11.14 H new ATOM 0 HD13 LEU A 79 15.308 18.736 -22.263 1.00 11.14 H new ATOM 0 HD21 LEU A 79 16.844 21.359 -22.818 1.00 71.21 H new ATOM 0 HD22 LEU A 79 15.740 21.146 -21.438 1.00 71.21 H new ATOM 0 HD23 LEU A 79 17.423 21.655 -21.162 1.00 71.21 H new ATOM 1246 N SER A 80 20.012 18.065 -19.597 1.00 73.32 N ATOM 1247 CA SER A 80 21.458 17.916 -19.855 1.00 11.22 C ATOM 1248 C SER A 80 21.858 16.440 -19.978 1.00 64.22 C ATOM 1249 O SER A 80 22.558 16.052 -20.914 1.00 60.34 O ATOM 1250 CB SER A 80 22.281 18.576 -18.734 1.00 14.30 C ATOM 1251 OG SER A 80 23.666 18.262 -18.846 1.00 3.03 O ATOM 0 H SER A 80 19.792 18.598 -18.756 1.00 73.32 H new ATOM 0 HA SER A 80 21.670 18.413 -20.802 1.00 11.22 H new ATOM 0 HB2 SER A 80 22.148 19.657 -18.773 1.00 14.30 H new ATOM 0 HB3 SER A 80 21.909 18.244 -17.765 1.00 14.30 H new ATOM 0 HG SER A 80 24.160 18.698 -18.120 1.00 3.03 H new ATOM 1257 N GLU A 81 21.387 15.622 -19.038 1.00 11.12 N ATOM 1258 CA GLU A 81 21.693 14.186 -19.019 1.00 71.31 C ATOM 1259 C GLU A 81 21.289 13.487 -20.329 1.00 1.32 C ATOM 1260 O GLU A 81 22.087 12.769 -20.935 1.00 1.05 O ATOM 1261 CB GLU A 81 20.973 13.516 -17.840 1.00 64.24 C ATOM 1262 CG GLU A 81 21.478 13.950 -16.470 1.00 24.42 C ATOM 1263 CD GLU A 81 22.901 13.489 -16.198 1.00 12.13 C ATOM 1264 OE1 GLU A 81 23.110 12.265 -16.031 1.00 11.04 O ATOM 1265 OE2 GLU A 81 23.811 14.345 -16.133 1.00 2.13 O ATOM 0 H GLU A 81 20.787 15.929 -18.272 1.00 11.12 H new ATOM 0 HA GLU A 81 22.773 14.086 -18.908 1.00 71.31 H new ATOM 0 HB2 GLU A 81 19.907 13.735 -17.908 1.00 64.24 H new ATOM 0 HB3 GLU A 81 21.082 12.435 -17.929 1.00 64.24 H new ATOM 0 HG2 GLU A 81 21.432 15.037 -16.398 1.00 24.42 H new ATOM 0 HG3 GLU A 81 20.817 13.551 -15.700 1.00 24.42 H new ATOM 1272 N LEU A 82 20.046 13.698 -20.759 1.00 22.42 N ATOM 1273 CA LEU A 82 19.526 13.053 -21.974 1.00 1.11 C ATOM 1274 C LEU A 82 20.278 13.510 -23.237 1.00 63.15 C ATOM 1275 O LEU A 82 20.580 12.701 -24.118 1.00 2.11 O ATOM 1276 CB LEU A 82 18.024 13.330 -22.122 1.00 45.23 C ATOM 1277 CG LEU A 82 17.156 12.835 -20.954 1.00 5.10 C ATOM 1278 CD1 LEU A 82 15.688 13.169 -21.191 1.00 53.23 C ATOM 1279 CD2 LEU A 82 17.337 11.333 -20.745 1.00 14.35 C ATOM 0 H LEU A 82 19.378 14.308 -20.289 1.00 22.42 H new ATOM 0 HA LEU A 82 19.686 11.980 -21.868 1.00 1.11 H new ATOM 0 HB2 LEU A 82 17.877 14.404 -22.235 1.00 45.23 H new ATOM 0 HB3 LEU A 82 17.672 12.862 -23.041 1.00 45.23 H new ATOM 0 HG LEU A 82 17.481 13.349 -20.049 1.00 5.10 H new ATOM 0 HD11 LEU A 82 15.093 12.809 -20.352 1.00 53.23 H new ATOM 0 HD12 LEU A 82 15.571 14.249 -21.283 1.00 53.23 H new ATOM 0 HD13 LEU A 82 15.349 12.688 -22.109 1.00 53.23 H new ATOM 0 HD21 LEU A 82 16.714 11.004 -19.914 1.00 14.35 H new ATOM 0 HD22 LEU A 82 17.044 10.802 -21.651 1.00 14.35 H new ATOM 0 HD23 LEU A 82 18.382 11.120 -20.521 1.00 14.35 H new ATOM 1291 N GLN A 83 20.577 14.808 -23.321 1.00 20.31 N ATOM 1292 CA GLN A 83 21.333 15.356 -24.456 1.00 61.14 C ATOM 1293 C GLN A 83 22.752 14.771 -24.513 1.00 40.12 C ATOM 1294 O GLN A 83 23.211 14.330 -25.568 1.00 15.33 O ATOM 1295 CB GLN A 83 21.405 16.887 -24.369 1.00 15.44 C ATOM 1296 CG GLN A 83 20.047 17.574 -24.459 1.00 52.23 C ATOM 1297 CD GLN A 83 20.151 19.085 -24.350 1.00 62.43 C ATOM 1298 OE1 GLN A 83 20.108 19.594 -23.138 1.00 61.21 O flip ATOM 1299 NE2 GLN A 83 20.277 19.787 -25.347 1.00 62.24 N flip ATOM 0 H GLN A 83 20.310 15.500 -22.621 1.00 20.31 H new ATOM 0 HA GLN A 83 20.807 15.075 -25.369 1.00 61.14 H new ATOM 0 HB2 GLN A 83 21.881 17.166 -23.429 1.00 15.44 H new ATOM 0 HB3 GLN A 83 22.043 17.257 -25.172 1.00 15.44 H new ATOM 0 HG2 GLN A 83 19.574 17.313 -25.405 1.00 52.23 H new ATOM 0 HG3 GLN A 83 19.401 17.199 -23.665 1.00 52.23 H new ATOM 0 HE21 GLN A 83 20.307 19.358 -26.272 1.00 62.24 H new ATOM 0 HE22 GLN A 83 20.352 20.800 -25.251 1.00 62.24 H new ATOM 1308 N ASP A 84 23.436 14.769 -23.371 1.00 25.01 N ATOM 1309 CA ASP A 84 24.782 14.199 -23.270 1.00 70.44 C ATOM 1310 C ASP A 84 24.777 12.692 -23.588 1.00 13.22 C ATOM 1311 O ASP A 84 25.662 12.187 -24.284 1.00 33.13 O ATOM 1312 CB ASP A 84 25.340 14.447 -21.865 1.00 52.10 C ATOM 1313 CG ASP A 84 26.751 13.913 -21.696 1.00 62.25 C ATOM 1314 OD1 ASP A 84 27.711 14.636 -22.047 1.00 22.34 O ATOM 1315 OD2 ASP A 84 26.907 12.773 -21.207 1.00 61.51 O ATOM 0 H ASP A 84 23.080 15.157 -22.497 1.00 25.01 H new ATOM 0 HA ASP A 84 25.421 14.689 -24.005 1.00 70.44 H new ATOM 0 HB2 ASP A 84 25.333 15.517 -21.659 1.00 52.10 H new ATOM 0 HB3 ASP A 84 24.687 13.977 -21.130 1.00 52.10 H new ATOM 1320 N ALA A 85 23.766 11.986 -23.083 1.00 11.23 N ATOM 1321 CA ALA A 85 23.636 10.541 -23.296 1.00 65.51 C ATOM 1322 C ALA A 85 23.605 10.177 -24.789 1.00 64.31 C ATOM 1323 O ALA A 85 24.354 9.306 -25.240 1.00 31.40 O ATOM 1324 CB ALA A 85 22.391 10.015 -22.594 1.00 74.54 C ATOM 0 H ALA A 85 23.019 12.393 -22.520 1.00 11.23 H new ATOM 0 HA ALA A 85 24.518 10.066 -22.866 1.00 65.51 H new ATOM 0 HB1 ALA A 85 22.306 8.941 -22.760 1.00 74.54 H new ATOM 0 HB2 ALA A 85 22.466 10.212 -21.525 1.00 74.54 H new ATOM 0 HB3 ALA A 85 21.509 10.515 -22.994 1.00 74.54 H new ATOM 1330 N LYS A 86 22.747 10.846 -25.563 1.00 1.54 N ATOM 1331 CA LYS A 86 22.686 10.597 -27.008 1.00 65.42 C ATOM 1332 C LYS A 86 23.931 11.150 -27.719 1.00 71.13 C ATOM 1333 O LYS A 86 24.432 10.548 -28.668 1.00 34.22 O ATOM 1334 CB LYS A 86 21.414 11.195 -27.633 1.00 42.51 C ATOM 1335 CG LYS A 86 21.300 12.714 -27.503 1.00 60.35 C ATOM 1336 CD LYS A 86 20.235 13.289 -28.439 1.00 21.02 C ATOM 1337 CE LYS A 86 20.622 13.116 -29.905 1.00 11.22 C ATOM 1338 NZ LYS A 86 19.606 13.684 -30.828 1.00 52.10 N ATOM 0 H LYS A 86 22.095 11.553 -25.223 1.00 1.54 H new ATOM 0 HA LYS A 86 22.657 9.516 -27.144 1.00 65.42 H new ATOM 0 HB2 LYS A 86 21.384 10.930 -28.690 1.00 42.51 H new ATOM 0 HB3 LYS A 86 20.543 10.736 -27.164 1.00 42.51 H new ATOM 0 HG2 LYS A 86 21.056 12.973 -26.473 1.00 60.35 H new ATOM 0 HG3 LYS A 86 22.264 13.171 -27.726 1.00 60.35 H new ATOM 0 HD2 LYS A 86 19.281 12.795 -28.253 1.00 21.02 H new ATOM 0 HD3 LYS A 86 20.093 14.348 -28.222 1.00 21.02 H new ATOM 0 HE2 LYS A 86 21.583 13.599 -30.084 1.00 11.22 H new ATOM 0 HE3 LYS A 86 20.753 12.056 -30.121 1.00 11.22 H new ATOM 0 HZ1 LYS A 86 19.913 13.543 -31.812 1.00 52.10 H new ATOM 0 HZ2 LYS A 86 18.695 13.206 -30.678 1.00 52.10 H new ATOM 0 HZ3 LYS A 86 19.498 14.702 -30.642 1.00 52.10 H new ATOM 1352 N LEU A 87 24.435 12.290 -27.241 1.00 12.21 N ATOM 1353 CA LEU A 87 25.610 12.939 -27.840 1.00 63.14 C ATOM 1354 C LEU A 87 26.834 12.010 -27.835 1.00 13.43 C ATOM 1355 O LEU A 87 27.494 11.829 -28.862 1.00 21.10 O ATOM 1356 CB LEU A 87 25.941 14.242 -27.094 1.00 64.21 C ATOM 1357 CG LEU A 87 27.124 15.045 -27.663 1.00 31.03 C ATOM 1358 CD1 LEU A 87 26.844 15.479 -29.100 1.00 50.42 C ATOM 1359 CD2 LEU A 87 27.430 16.252 -26.781 1.00 44.54 C ATOM 0 H LEU A 87 24.048 12.786 -26.438 1.00 12.21 H new ATOM 0 HA LEU A 87 25.364 13.169 -28.877 1.00 63.14 H new ATOM 0 HB2 LEU A 87 25.056 14.878 -27.098 1.00 64.21 H new ATOM 0 HB3 LEU A 87 26.155 14.001 -26.053 1.00 64.21 H new ATOM 0 HG LEU A 87 28.002 14.399 -27.671 1.00 31.03 H new ATOM 0 HD11 LEU A 87 27.694 16.045 -29.481 1.00 50.42 H new ATOM 0 HD12 LEU A 87 26.686 14.598 -29.722 1.00 50.42 H new ATOM 0 HD13 LEU A 87 25.952 16.104 -29.124 1.00 50.42 H new ATOM 0 HD21 LEU A 87 28.269 16.806 -27.201 1.00 44.54 H new ATOM 0 HD22 LEU A 87 26.555 16.900 -26.734 1.00 44.54 H new ATOM 0 HD23 LEU A 87 27.685 15.914 -25.777 1.00 44.54 H new ATOM 1371 N LYS A 88 27.135 11.425 -26.676 1.00 20.23 N ATOM 1372 CA LYS A 88 28.255 10.485 -26.558 1.00 74.34 C ATOM 1373 C LYS A 88 27.993 9.219 -27.396 1.00 42.55 C ATOM 1374 O LYS A 88 28.925 8.610 -27.930 1.00 13.03 O ATOM 1375 CB LYS A 88 28.509 10.134 -25.071 1.00 22.03 C ATOM 1376 CG LYS A 88 27.420 9.280 -24.408 1.00 34.12 C ATOM 1377 CD LYS A 88 27.676 7.780 -24.579 1.00 71.14 C ATOM 1378 CE LYS A 88 26.456 6.942 -24.216 1.00 35.33 C ATOM 1379 NZ LYS A 88 26.069 7.074 -22.785 1.00 43.03 N ATOM 0 H LYS A 88 26.623 11.583 -25.808 1.00 20.23 H new ATOM 0 HA LYS A 88 29.154 10.961 -26.950 1.00 74.34 H new ATOM 0 HB2 LYS A 88 29.459 9.605 -24.996 1.00 22.03 H new ATOM 0 HB3 LYS A 88 28.615 11.061 -24.508 1.00 22.03 H new ATOM 0 HG2 LYS A 88 27.370 9.519 -23.346 1.00 34.12 H new ATOM 0 HG3 LYS A 88 26.451 9.533 -24.838 1.00 34.12 H new ATOM 0 HD2 LYS A 88 27.960 7.577 -25.612 1.00 71.14 H new ATOM 0 HD3 LYS A 88 28.518 7.483 -23.953 1.00 71.14 H new ATOM 0 HE2 LYS A 88 25.616 7.241 -24.843 1.00 35.33 H new ATOM 0 HE3 LYS A 88 26.662 5.895 -24.437 1.00 35.33 H new ATOM 0 HZ1 LYS A 88 25.769 6.148 -22.420 1.00 43.03 H new ATOM 0 HZ2 LYS A 88 26.883 7.415 -22.235 1.00 43.03 H new ATOM 0 HZ3 LYS A 88 25.284 7.751 -22.699 1.00 43.03 H new ATOM 1393 N ALA A 89 26.715 8.843 -27.518 1.00 43.25 N ATOM 1394 CA ALA A 89 26.310 7.663 -28.294 1.00 72.10 C ATOM 1395 C ALA A 89 26.556 7.858 -29.799 1.00 52.41 C ATOM 1396 O ALA A 89 26.990 6.935 -30.491 1.00 5.51 O ATOM 1397 CB ALA A 89 24.843 7.338 -28.031 1.00 5.42 C ATOM 0 H ALA A 89 25.938 9.342 -27.086 1.00 43.25 H new ATOM 0 HA ALA A 89 26.925 6.824 -27.968 1.00 72.10 H new ATOM 0 HB1 ALA A 89 24.555 6.462 -28.612 1.00 5.42 H new ATOM 0 HB2 ALA A 89 24.700 7.133 -26.970 1.00 5.42 H new ATOM 0 HB3 ALA A 89 24.224 8.186 -28.323 1.00 5.42 H new ATOM 1403 N GLU A 90 26.285 9.068 -30.290 1.00 71.52 N ATOM 1404 CA GLU A 90 26.513 9.423 -31.702 1.00 51.40 C ATOM 1405 C GLU A 90 27.957 9.122 -32.145 1.00 21.50 C ATOM 1406 O GLU A 90 28.216 8.869 -33.325 1.00 14.32 O ATOM 1407 CB GLU A 90 26.207 10.918 -31.915 1.00 41.02 C ATOM 1408 CG GLU A 90 24.733 11.294 -31.742 1.00 22.15 C ATOM 1409 CD GLU A 90 23.908 11.097 -33.009 1.00 30.12 C ATOM 1410 OE1 GLU A 90 23.681 9.940 -33.414 1.00 52.32 O ATOM 1411 OE2 GLU A 90 23.495 12.110 -33.614 1.00 44.44 O ATOM 0 H GLU A 90 25.903 9.829 -29.729 1.00 71.52 H new ATOM 0 HA GLU A 90 25.845 8.813 -32.310 1.00 51.40 H new ATOM 0 HB2 GLU A 90 26.803 11.502 -31.213 1.00 41.02 H new ATOM 0 HB3 GLU A 90 26.526 11.202 -32.918 1.00 41.02 H new ATOM 0 HG2 GLU A 90 24.304 10.693 -30.940 1.00 22.15 H new ATOM 0 HG3 GLU A 90 24.665 12.336 -31.431 1.00 22.15 H new ATOM 1418 N GLY A 91 28.894 9.153 -31.196 1.00 24.54 N ATOM 1419 CA GLY A 91 30.301 8.933 -31.519 1.00 41.50 C ATOM 1420 C GLY A 91 30.837 7.571 -31.075 1.00 40.14 C ATOM 1421 O GLY A 91 32.052 7.381 -30.996 1.00 13.14 O ATOM 0 H GLY A 91 28.706 9.326 -30.209 1.00 24.54 H new ATOM 0 HA2 GLY A 91 30.435 9.031 -32.596 1.00 41.50 H new ATOM 0 HA3 GLY A 91 30.897 9.716 -31.051 1.00 41.50 H new ATOM 1425 N LEU A 92 29.947 6.621 -30.782 1.00 72.22 N ATOM 1426 CA LEU A 92 30.370 5.265 -30.392 1.00 72.14 C ATOM 1427 C LEU A 92 30.738 4.416 -31.621 1.00 71.51 C ATOM 1428 O LEU A 92 31.917 4.165 -31.879 1.00 41.41 O ATOM 1429 CB LEU A 92 29.278 4.560 -29.573 1.00 64.21 C ATOM 1430 CG LEU A 92 28.960 5.192 -28.206 1.00 21.24 C ATOM 1431 CD1 LEU A 92 27.886 4.387 -27.479 1.00 65.12 C ATOM 1432 CD2 LEU A 92 30.223 5.310 -27.355 1.00 74.33 C ATOM 0 H LEU A 92 28.937 6.758 -30.805 1.00 72.22 H new ATOM 0 HA LEU A 92 31.259 5.371 -29.770 1.00 72.14 H new ATOM 0 HB2 LEU A 92 28.363 4.537 -30.165 1.00 64.21 H new ATOM 0 HB3 LEU A 92 29.580 3.525 -29.413 1.00 64.21 H new ATOM 0 HG LEU A 92 28.575 6.197 -28.376 1.00 21.24 H new ATOM 0 HD11 LEU A 92 27.675 4.849 -26.515 1.00 65.12 H new ATOM 0 HD12 LEU A 92 26.976 4.368 -28.079 1.00 65.12 H new ATOM 0 HD13 LEU A 92 28.239 3.367 -27.323 1.00 65.12 H new ATOM 0 HD21 LEU A 92 29.973 5.759 -26.394 1.00 74.33 H new ATOM 0 HD22 LEU A 92 30.647 4.319 -27.193 1.00 74.33 H new ATOM 0 HD23 LEU A 92 30.952 5.936 -27.870 1.00 74.33 H new