USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 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 43 TYR OH : rot 7:sc= 1.13 USER MOD Set 1.2: A 65 GLN : amide:sc= -1 K(o=0.13,f=1.8) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -0.982 K(o=-2,f=-0.55) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.978 K(o=-2,f=-0.55) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.396 USER MOD Set 3.2: A 45 HIS : no HD1:sc= -2.15! K(o=-2.5!,f=0.081) USER MOD Single : A 8 THR OG1 : rot -169:sc= -0.833 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0125 (180deg=-0.155) USER MOD Single : A 19 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.43) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 88:sc= 1.48 USER MOD Single : A 39 TYR OH : rot 178:sc= 0.277 USER MOD Single : A 42 THR OG1 : rot 60:sc= 0.0989 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -1.02 (180deg=-2.55!) USER MOD Single : A 50 TYR OH : rot 29:sc= 0.0112 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 71:sc= 0.948 USER MOD Single : A 63 TYR OH : rot -156:sc= 0.212 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= -0.0133 (180deg=-0.119) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.024) USER MOD Single : A 86 LYS NZ :NH3+ -133:sc= 1.19 (180deg=-0.539) USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= 0.519 (180deg=-1.38!) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 1.412 0.005 -4.387 1.00 33.40 N ATOM 19 CA ASP A 2 1.177 -1.267 -5.071 1.00 55.01 C ATOM 20 C ASP A 2 1.895 -1.277 -6.438 1.00 5.53 C ATOM 21 O ASP A 2 2.375 -0.237 -6.888 1.00 51.14 O ATOM 22 CB ASP A 2 -0.336 -1.447 -5.253 1.00 5.21 C ATOM 23 CG ASP A 2 -1.092 -1.227 -3.958 1.00 31.03 C ATOM 24 OD1 ASP A 2 -1.367 -0.056 -3.620 1.00 73.33 O ATOM 25 OD2 ASP A 2 -1.404 -2.217 -3.265 1.00 52.45 O ATOM 0 HA ASP A 2 1.575 -2.091 -4.478 1.00 55.01 H new ATOM 0 HB2 ASP A 2 -0.697 -0.747 -6.007 1.00 5.21 H new ATOM 0 HB3 ASP A 2 -0.540 -2.451 -5.626 1.00 5.21 H new ATOM 30 N PRO A 3 1.992 -2.441 -7.127 1.00 21.52 N ATOM 31 CA PRO A 3 2.601 -2.513 -8.476 1.00 63.20 C ATOM 32 C PRO A 3 1.940 -1.550 -9.481 1.00 64.23 C ATOM 33 O PRO A 3 2.513 -1.227 -10.524 1.00 61.21 O ATOM 34 CB PRO A 3 2.381 -3.980 -8.899 1.00 53.42 C ATOM 35 CG PRO A 3 1.351 -4.509 -7.955 1.00 71.24 C ATOM 36 CD PRO A 3 1.557 -3.769 -6.663 1.00 52.32 C ATOM 0 HA PRO A 3 3.650 -2.217 -8.459 1.00 63.20 H new ATOM 0 HB2 PRO A 3 2.039 -4.045 -9.932 1.00 53.42 H new ATOM 0 HB3 PRO A 3 3.307 -4.552 -8.833 1.00 53.42 H new ATOM 0 HG2 PRO A 3 0.345 -4.346 -8.343 1.00 71.24 H new ATOM 0 HG3 PRO A 3 1.467 -5.583 -7.812 1.00 71.24 H new ATOM 0 HD2 PRO A 3 0.641 -3.714 -6.075 1.00 52.32 H new ATOM 0 HD3 PRO A 3 2.310 -4.247 -6.036 1.00 52.32 H new ATOM 44 N GLU A 4 0.734 -1.095 -9.145 1.00 4.42 N ATOM 45 CA GLU A 4 -0.009 -0.138 -9.968 1.00 61.33 C ATOM 46 C GLU A 4 0.625 1.266 -9.917 1.00 43.42 C ATOM 47 O GLU A 4 0.456 2.067 -10.839 1.00 32.32 O ATOM 48 CB GLU A 4 -1.467 -0.085 -9.489 1.00 72.22 C ATOM 49 CG GLU A 4 -2.177 -1.437 -9.549 1.00 0.12 C ATOM 50 CD GLU A 4 -3.542 -1.425 -8.876 1.00 54.33 C ATOM 51 OE1 GLU A 4 -3.600 -1.609 -7.641 1.00 21.11 O ATOM 52 OE2 GLU A 4 -4.560 -1.240 -9.573 1.00 72.45 O ATOM 0 H GLU A 4 0.244 -1.378 -8.296 1.00 4.42 H new ATOM 0 HA GLU A 4 0.026 -0.472 -11.005 1.00 61.33 H new ATOM 0 HB2 GLU A 4 -1.491 0.284 -8.464 1.00 72.22 H new ATOM 0 HB3 GLU A 4 -2.016 0.632 -10.099 1.00 72.22 H new ATOM 0 HG2 GLU A 4 -2.295 -1.733 -10.591 1.00 0.12 H new ATOM 0 HG3 GLU A 4 -1.550 -2.191 -9.073 1.00 0.12 H new ATOM 59 N ASP A 5 1.342 1.565 -8.830 1.00 45.25 N ATOM 60 CA ASP A 5 2.058 2.840 -8.694 1.00 32.34 C ATOM 61 C ASP A 5 3.238 2.931 -9.680 1.00 65.45 C ATOM 62 O ASP A 5 4.046 2.003 -9.777 1.00 61.24 O ATOM 63 CB ASP A 5 2.579 3.009 -7.262 1.00 4.33 C ATOM 64 CG ASP A 5 1.467 3.155 -6.242 1.00 2.21 C ATOM 65 OD1 ASP A 5 0.826 2.145 -5.902 1.00 13.31 O ATOM 66 OD2 ASP A 5 1.238 4.279 -5.760 1.00 24.40 O ATOM 0 H ASP A 5 1.443 0.941 -8.029 1.00 45.25 H new ATOM 0 HA ASP A 5 1.352 3.638 -8.924 1.00 32.34 H new ATOM 0 HB2 ASP A 5 3.194 2.148 -7.001 1.00 4.33 H new ATOM 0 HB3 ASP A 5 3.224 3.887 -7.217 1.00 4.33 H new ATOM 71 N PRO A 6 3.370 4.064 -10.404 1.00 3.30 N ATOM 72 CA PRO A 6 4.450 4.268 -11.391 1.00 45.20 C ATOM 73 C PRO A 6 5.851 4.004 -10.810 1.00 40.43 C ATOM 74 O PRO A 6 6.704 3.403 -11.467 1.00 40.34 O ATOM 75 CB PRO A 6 4.294 5.746 -11.807 1.00 10.35 C ATOM 76 CG PRO A 6 3.383 6.349 -10.785 1.00 20.12 C ATOM 77 CD PRO A 6 2.485 5.237 -10.327 1.00 45.25 C ATOM 0 HA PRO A 6 4.366 3.571 -12.225 1.00 45.20 H new ATOM 0 HB2 PRO A 6 5.258 6.254 -11.823 1.00 10.35 H new ATOM 0 HB3 PRO A 6 3.872 5.830 -12.809 1.00 10.35 H new ATOM 0 HG2 PRO A 6 3.951 6.761 -9.951 1.00 20.12 H new ATOM 0 HG3 PRO A 6 2.804 7.168 -11.212 1.00 20.12 H new ATOM 0 HD2 PRO A 6 2.117 5.403 -9.314 1.00 45.25 H new ATOM 0 HD3 PRO A 6 1.611 5.130 -10.970 1.00 45.25 H new ATOM 85 N PHE A 7 6.078 4.439 -9.572 1.00 73.42 N ATOM 86 CA PHE A 7 7.365 4.218 -8.904 1.00 73.32 C ATOM 87 C PHE A 7 7.592 2.727 -8.596 1.00 21.35 C ATOM 88 O PHE A 7 8.704 2.219 -8.730 1.00 73.20 O ATOM 89 CB PHE A 7 7.444 5.042 -7.610 1.00 65.45 C ATOM 90 CG PHE A 7 8.759 4.899 -6.880 1.00 14.24 C ATOM 91 CD1 PHE A 7 9.878 5.610 -7.294 1.00 34.42 C ATOM 92 CD2 PHE A 7 8.879 4.052 -5.784 1.00 21.02 C ATOM 93 CE1 PHE A 7 11.084 5.480 -6.632 1.00 4.52 C ATOM 94 CE2 PHE A 7 10.084 3.920 -5.120 1.00 71.20 C ATOM 95 CZ PHE A 7 11.188 4.635 -5.544 1.00 71.24 C ATOM 0 H PHE A 7 5.393 4.945 -9.011 1.00 73.42 H new ATOM 0 HA PHE A 7 8.152 4.544 -9.584 1.00 73.32 H new ATOM 0 HB2 PHE A 7 7.283 6.093 -7.848 1.00 65.45 H new ATOM 0 HB3 PHE A 7 6.635 4.738 -6.946 1.00 65.45 H new ATOM 0 HD1 PHE A 7 9.805 6.273 -8.144 1.00 34.42 H new ATOM 0 HD2 PHE A 7 8.020 3.490 -5.447 1.00 21.02 H new ATOM 0 HE1 PHE A 7 11.946 6.039 -6.965 1.00 4.52 H new ATOM 0 HE2 PHE A 7 10.163 3.258 -4.270 1.00 71.20 H new ATOM 0 HZ PHE A 7 12.130 4.533 -5.026 1.00 71.24 H new ATOM 105 N THR A 8 6.532 2.027 -8.191 1.00 1.40 N ATOM 106 CA THR A 8 6.636 0.605 -7.831 1.00 2.24 C ATOM 107 C THR A 8 6.971 -0.261 -9.053 1.00 32.50 C ATOM 108 O THR A 8 7.948 -1.008 -9.043 1.00 13.15 O ATOM 109 CB THR A 8 5.335 0.070 -7.189 1.00 62.24 C ATOM 110 OG1 THR A 8 4.899 0.945 -6.140 1.00 21.33 O ATOM 111 CG2 THR A 8 5.542 -1.334 -6.621 1.00 45.22 C ATOM 0 H THR A 8 5.593 2.416 -8.103 1.00 1.40 H new ATOM 0 HA THR A 8 7.444 0.539 -7.102 1.00 2.24 H new ATOM 0 HB THR A 8 4.574 0.027 -7.968 1.00 62.24 H new ATOM 0 HG1 THR A 8 4.182 0.513 -5.630 1.00 21.33 H new ATOM 0 HG21 THR A 8 4.612 -1.687 -6.175 1.00 45.22 H new ATOM 0 HG22 THR A 8 5.840 -2.010 -7.422 1.00 45.22 H new ATOM 0 HG23 THR A 8 6.322 -1.307 -5.860 1.00 45.22 H new ATOM 119 N ARG A 9 6.155 -0.158 -10.106 1.00 33.40 N ATOM 120 CA ARG A 9 6.407 -0.894 -11.359 1.00 11.14 C ATOM 121 C ARG A 9 7.813 -0.587 -11.915 1.00 5.55 C ATOM 122 O ARG A 9 8.447 -1.436 -12.545 1.00 53.13 O ATOM 123 CB ARG A 9 5.313 -0.578 -12.400 1.00 31.35 C ATOM 124 CG ARG A 9 5.008 0.910 -12.548 1.00 10.41 C ATOM 125 CD ARG A 9 3.702 1.170 -13.307 1.00 72.21 C ATOM 126 NE ARG A 9 3.846 1.071 -14.761 1.00 42.14 N ATOM 127 CZ ARG A 9 3.556 0.009 -15.468 1.00 22.12 C ATOM 128 NH1 ARG A 9 3.164 -1.085 -14.894 1.00 0.44 N ATOM 129 NH2 ARG A 9 3.642 0.050 -16.756 1.00 20.35 N ATOM 0 H ARG A 9 5.317 0.423 -10.121 1.00 33.40 H new ATOM 0 HA ARG A 9 6.370 -1.961 -11.140 1.00 11.14 H new ATOM 0 HB2 ARG A 9 5.622 -0.973 -13.368 1.00 31.35 H new ATOM 0 HB3 ARG A 9 4.398 -1.100 -12.120 1.00 31.35 H new ATOM 0 HG2 ARG A 9 4.946 1.365 -11.559 1.00 10.41 H new ATOM 0 HG3 ARG A 9 5.831 1.396 -13.072 1.00 10.41 H new ATOM 0 HD2 ARG A 9 2.949 0.456 -12.974 1.00 72.21 H new ATOM 0 HD3 ARG A 9 3.334 2.164 -13.052 1.00 72.21 H new ATOM 0 HE ARG A 9 4.198 1.889 -15.258 1.00 42.14 H new ATOM 0 HH11 ARG A 9 3.078 -1.126 -13.878 1.00 0.44 H new ATOM 0 HH12 ARG A 9 2.941 -1.905 -15.458 1.00 0.44 H new ATOM 0 HH21 ARG A 9 3.936 0.909 -17.220 1.00 20.35 H new ATOM 0 HH22 ARG A 9 3.416 -0.777 -17.309 1.00 20.35 H new ATOM 143 N TYR A 10 8.296 0.629 -11.659 1.00 1.44 N ATOM 144 CA TYR A 10 9.673 1.011 -11.993 1.00 42.34 C ATOM 145 C TYR A 10 10.689 0.310 -11.069 1.00 21.31 C ATOM 146 O TYR A 10 11.721 -0.192 -11.524 1.00 74.22 O ATOM 147 CB TYR A 10 9.821 2.537 -11.895 1.00 30.14 C ATOM 148 CG TYR A 10 11.250 3.041 -12.010 1.00 1.02 C ATOM 149 CD1 TYR A 10 11.960 2.930 -13.202 1.00 0.40 C ATOM 150 CD2 TYR A 10 11.887 3.631 -10.922 1.00 20.32 C ATOM 151 CE1 TYR A 10 13.260 3.389 -13.302 1.00 72.12 C ATOM 152 CE2 TYR A 10 13.185 4.093 -11.019 1.00 71.24 C ATOM 153 CZ TYR A 10 13.867 3.968 -12.209 1.00 45.44 C ATOM 154 OH TYR A 10 15.159 4.427 -12.307 1.00 15.30 O ATOM 0 H TYR A 10 7.753 1.372 -11.219 1.00 1.44 H new ATOM 0 HA TYR A 10 9.883 0.692 -13.014 1.00 42.34 H new ATOM 0 HB2 TYR A 10 9.222 2.998 -12.680 1.00 30.14 H new ATOM 0 HB3 TYR A 10 9.408 2.869 -10.943 1.00 30.14 H new ATOM 0 HD1 TYR A 10 11.488 2.478 -14.062 1.00 0.40 H new ATOM 0 HD2 TYR A 10 11.357 3.729 -9.986 1.00 20.32 H new ATOM 0 HE1 TYR A 10 13.798 3.294 -14.234 1.00 72.12 H new ATOM 0 HE2 TYR A 10 13.663 4.550 -10.165 1.00 71.24 H new ATOM 0 HH TYR A 10 15.437 4.808 -11.448 1.00 15.30 H new ATOM 164 N ALA A 11 10.385 0.270 -9.771 1.00 54.33 N ATOM 165 CA ALA A 11 11.254 -0.384 -8.785 1.00 52.22 C ATOM 166 C ALA A 11 11.432 -1.879 -9.092 1.00 73.22 C ATOM 167 O ALA A 11 12.538 -2.414 -8.997 1.00 41.32 O ATOM 168 CB ALA A 11 10.696 -0.191 -7.377 1.00 72.04 C ATOM 0 H ALA A 11 9.541 0.684 -9.375 1.00 54.33 H new ATOM 0 HA ALA A 11 12.237 0.084 -8.844 1.00 52.22 H new ATOM 0 HB1 ALA A 11 11.350 -0.681 -6.656 1.00 72.04 H new ATOM 0 HB2 ALA A 11 10.640 0.874 -7.151 1.00 72.04 H new ATOM 0 HB3 ALA A 11 9.699 -0.628 -7.318 1.00 72.04 H new ATOM 174 N LEU A 12 10.338 -2.549 -9.463 1.00 14.01 N ATOM 175 CA LEU A 12 10.397 -3.961 -9.874 1.00 43.25 C ATOM 176 C LEU A 12 11.286 -4.140 -11.115 1.00 10.14 C ATOM 177 O LEU A 12 12.008 -5.134 -11.234 1.00 13.41 O ATOM 178 CB LEU A 12 8.984 -4.519 -10.142 1.00 33.40 C ATOM 179 CG LEU A 12 8.208 -5.005 -8.902 1.00 53.20 C ATOM 180 CD1 LEU A 12 8.929 -6.175 -8.234 1.00 45.14 C ATOM 181 CD2 LEU A 12 7.986 -3.872 -7.905 1.00 3.53 C ATOM 0 H LEU A 12 9.403 -2.142 -9.489 1.00 14.01 H new ATOM 0 HA LEU A 12 10.839 -4.524 -9.052 1.00 43.25 H new ATOM 0 HB2 LEU A 12 8.396 -3.745 -10.635 1.00 33.40 H new ATOM 0 HB3 LEU A 12 9.069 -5.350 -10.843 1.00 33.40 H new ATOM 0 HG LEU A 12 7.230 -5.349 -9.239 1.00 53.20 H new ATOM 0 HD11 LEU A 12 8.363 -6.501 -7.361 1.00 45.14 H new ATOM 0 HD12 LEU A 12 9.014 -7.001 -8.940 1.00 45.14 H new ATOM 0 HD13 LEU A 12 9.925 -5.859 -7.923 1.00 45.14 H new ATOM 0 HD21 LEU A 12 7.436 -4.249 -7.043 1.00 3.53 H new ATOM 0 HD22 LEU A 12 8.950 -3.481 -7.578 1.00 3.53 H new ATOM 0 HD23 LEU A 12 7.414 -3.076 -8.381 1.00 3.53 H new ATOM 193 N ALA A 13 11.232 -3.175 -12.033 1.00 50.33 N ATOM 194 CA ALA A 13 12.111 -3.176 -13.206 1.00 13.02 C ATOM 195 C ALA A 13 13.588 -3.176 -12.783 1.00 63.42 C ATOM 196 O ALA A 13 14.390 -3.963 -13.289 1.00 32.50 O ATOM 197 CB ALA A 13 11.805 -1.977 -14.100 1.00 24.45 C ATOM 0 H ALA A 13 10.591 -2.383 -11.989 1.00 50.33 H new ATOM 0 HA ALA A 13 11.924 -4.087 -13.774 1.00 13.02 H new ATOM 0 HB1 ALA A 13 12.466 -1.991 -14.967 1.00 24.45 H new ATOM 0 HB2 ALA A 13 10.768 -2.027 -14.433 1.00 24.45 H new ATOM 0 HB3 ALA A 13 11.962 -1.056 -13.539 1.00 24.45 H new ATOM 203 N GLN A 14 13.935 -2.301 -11.836 1.00 12.44 N ATOM 204 CA GLN A 14 15.298 -2.254 -11.290 1.00 31.43 C ATOM 205 C GLN A 14 15.666 -3.579 -10.601 1.00 23.13 C ATOM 206 O GLN A 14 16.756 -4.117 -10.809 1.00 62.34 O ATOM 207 CB GLN A 14 15.451 -1.091 -10.296 1.00 45.02 C ATOM 208 CG GLN A 14 15.241 0.288 -10.914 1.00 72.41 C ATOM 209 CD GLN A 14 15.549 1.417 -9.940 1.00 64.20 C ATOM 210 OE1 GLN A 14 14.686 1.877 -9.205 1.00 61.20 O ATOM 211 NE2 GLN A 14 16.788 1.869 -9.927 1.00 5.33 N ATOM 0 H GLN A 14 13.296 -1.617 -11.431 1.00 12.44 H new ATOM 0 HA GLN A 14 15.979 -2.096 -12.126 1.00 31.43 H new ATOM 0 HB2 GLN A 14 14.737 -1.226 -9.483 1.00 45.02 H new ATOM 0 HB3 GLN A 14 16.447 -1.132 -9.856 1.00 45.02 H new ATOM 0 HG2 GLN A 14 15.876 0.389 -11.794 1.00 72.41 H new ATOM 0 HG3 GLN A 14 14.209 0.377 -11.254 1.00 72.41 H new ATOM 0 HE21 GLN A 14 17.485 1.465 -10.552 1.00 5.33 H new ATOM 0 HE22 GLN A 14 17.049 2.623 -9.292 1.00 5.33 H new ATOM 220 N GLU A 15 14.745 -4.104 -9.790 1.00 1.31 N ATOM 221 CA GLU A 15 14.954 -5.383 -9.100 1.00 63.04 C ATOM 222 C GLU A 15 15.277 -6.513 -10.083 1.00 75.42 C ATOM 223 O GLU A 15 16.224 -7.267 -9.875 1.00 35.44 O ATOM 224 CB GLU A 15 13.723 -5.756 -8.258 1.00 3.24 C ATOM 225 CG GLU A 15 13.659 -5.043 -6.912 1.00 30.13 C ATOM 226 CD GLU A 15 14.795 -5.450 -5.982 1.00 61.23 C ATOM 227 OE1 GLU A 15 14.711 -6.540 -5.373 1.00 64.13 O ATOM 228 OE2 GLU A 15 15.774 -4.687 -5.856 1.00 61.32 O ATOM 0 H GLU A 15 13.846 -3.664 -9.594 1.00 1.31 H new ATOM 0 HA GLU A 15 15.812 -5.255 -8.440 1.00 63.04 H new ATOM 0 HB2 GLU A 15 12.822 -5.523 -8.825 1.00 3.24 H new ATOM 0 HB3 GLU A 15 13.723 -6.833 -8.089 1.00 3.24 H new ATOM 0 HG2 GLU A 15 13.694 -3.966 -7.073 1.00 30.13 H new ATOM 0 HG3 GLU A 15 12.705 -5.263 -6.433 1.00 30.13 H new ATOM 235 N HIS A 16 14.502 -6.630 -11.159 1.00 3.21 N ATOM 236 CA HIS A 16 14.764 -7.664 -12.165 1.00 43.02 C ATOM 237 C HIS A 16 16.212 -7.579 -12.686 1.00 11.43 C ATOM 238 O HIS A 16 16.882 -8.601 -12.821 1.00 32.54 O ATOM 239 CB HIS A 16 13.758 -7.585 -13.319 1.00 25.33 C ATOM 240 CG HIS A 16 12.398 -8.101 -12.959 1.00 45.31 C ATOM 241 ND1 HIS A 16 12.143 -9.430 -12.691 1.00 13.32 N ATOM 242 CD2 HIS A 16 11.214 -7.465 -12.824 1.00 22.52 C ATOM 243 CE1 HIS A 16 10.865 -9.585 -12.410 1.00 35.23 C ATOM 244 NE2 HIS A 16 10.280 -8.409 -12.483 1.00 12.41 N ATOM 0 H HIS A 16 13.699 -6.033 -11.358 1.00 3.21 H new ATOM 0 HA HIS A 16 14.639 -8.633 -11.682 1.00 43.02 H new ATOM 0 HB2 HIS A 16 13.671 -6.549 -13.645 1.00 25.33 H new ATOM 0 HB3 HIS A 16 14.142 -8.154 -14.166 1.00 25.33 H new ATOM 0 HD2 HIS A 16 11.036 -6.408 -12.960 1.00 22.52 H new ATOM 0 HE1 HIS A 16 10.381 -10.518 -12.162 1.00 35.23 H new ATOM 0 HE2 HIS A 16 9.291 -8.228 -12.313 1.00 12.41 H new ATOM 253 N LEU A 17 16.702 -6.364 -12.943 1.00 50.12 N ATOM 254 CA LEU A 17 18.114 -6.166 -13.309 1.00 61.30 C ATOM 255 C LEU A 17 19.048 -6.666 -12.192 1.00 64.25 C ATOM 256 O LEU A 17 19.990 -7.422 -12.442 1.00 44.03 O ATOM 257 CB LEU A 17 18.399 -4.681 -13.592 1.00 20.43 C ATOM 258 CG LEU A 17 17.746 -4.109 -14.859 1.00 52.53 C ATOM 259 CD1 LEU A 17 18.011 -2.609 -14.970 1.00 73.01 C ATOM 260 CD2 LEU A 17 18.252 -4.841 -16.105 1.00 62.11 C ATOM 0 H LEU A 17 16.151 -5.507 -12.906 1.00 50.12 H new ATOM 0 HA LEU A 17 18.305 -6.745 -14.213 1.00 61.30 H new ATOM 0 HB2 LEU A 17 18.063 -4.096 -12.736 1.00 20.43 H new ATOM 0 HB3 LEU A 17 19.478 -4.545 -13.668 1.00 20.43 H new ATOM 0 HG LEU A 17 16.669 -4.262 -14.788 1.00 52.53 H new ATOM 0 HD11 LEU A 17 17.540 -2.222 -15.874 1.00 73.01 H new ATOM 0 HD12 LEU A 17 17.597 -2.101 -14.099 1.00 73.01 H new ATOM 0 HD13 LEU A 17 19.086 -2.432 -15.016 1.00 73.01 H new ATOM 0 HD21 LEU A 17 17.777 -4.421 -16.992 1.00 62.11 H new ATOM 0 HD22 LEU A 17 19.333 -4.724 -16.182 1.00 62.11 H new ATOM 0 HD23 LEU A 17 18.006 -5.900 -16.030 1.00 62.11 H new ATOM 272 N LYS A 18 18.767 -6.247 -10.959 1.00 33.45 N ATOM 273 CA LYS A 18 19.565 -6.644 -9.789 1.00 31.22 C ATOM 274 C LYS A 18 19.488 -8.163 -9.541 1.00 75.44 C ATOM 275 O LYS A 18 20.323 -8.736 -8.841 1.00 71.34 O ATOM 276 CB LYS A 18 19.076 -5.883 -8.542 1.00 1.32 C ATOM 277 CG LYS A 18 19.086 -4.364 -8.706 1.00 74.30 C ATOM 278 CD LYS A 18 18.557 -3.642 -7.466 1.00 41.23 C ATOM 279 CE LYS A 18 19.461 -3.838 -6.253 1.00 60.35 C ATOM 280 NZ LYS A 18 20.816 -3.263 -6.467 1.00 44.42 N ATOM 0 H LYS A 18 17.987 -5.628 -10.739 1.00 33.45 H new ATOM 0 HA LYS A 18 20.606 -6.390 -9.989 1.00 31.22 H new ATOM 0 HB2 LYS A 18 18.063 -6.207 -8.304 1.00 1.32 H new ATOM 0 HB3 LYS A 18 19.705 -6.152 -7.693 1.00 1.32 H new ATOM 0 HG2 LYS A 18 20.103 -4.030 -8.912 1.00 74.30 H new ATOM 0 HG3 LYS A 18 18.480 -4.090 -9.569 1.00 74.30 H new ATOM 0 HD2 LYS A 18 18.465 -2.577 -7.680 1.00 41.23 H new ATOM 0 HD3 LYS A 18 17.557 -4.008 -7.234 1.00 41.23 H new ATOM 0 HE2 LYS A 18 19.003 -3.371 -5.381 1.00 60.35 H new ATOM 0 HE3 LYS A 18 19.549 -4.902 -6.035 1.00 60.35 H new ATOM 0 HZ1 LYS A 18 21.334 -3.250 -5.565 1.00 44.42 H new ATOM 0 HZ2 LYS A 18 21.335 -3.844 -7.156 1.00 44.42 H new ATOM 0 HZ3 LYS A 18 20.728 -2.292 -6.830 1.00 44.42 H new ATOM 294 N HIS A 19 18.467 -8.806 -10.108 1.00 74.20 N ATOM 295 CA HIS A 19 18.283 -10.257 -9.977 1.00 43.12 C ATOM 296 C HIS A 19 18.560 -10.990 -11.308 1.00 4.25 C ATOM 297 O HIS A 19 18.023 -12.072 -11.550 1.00 2.45 O ATOM 298 CB HIS A 19 16.861 -10.563 -9.484 1.00 22.02 C ATOM 299 CG HIS A 19 16.578 -10.075 -8.087 1.00 72.11 C ATOM 300 ND1 HIS A 19 16.259 -10.918 -7.048 1.00 24.15 N ATOM 301 CD2 HIS A 19 16.535 -8.823 -7.568 1.00 1.41 C ATOM 302 CE1 HIS A 19 16.033 -10.210 -5.960 1.00 35.21 C ATOM 303 NE2 HIS A 19 16.191 -8.936 -6.247 1.00 31.41 N ATOM 0 H HIS A 19 17.749 -8.344 -10.666 1.00 74.20 H new ATOM 0 HA HIS A 19 19.004 -10.622 -9.246 1.00 43.12 H new ATOM 0 HB2 HIS A 19 16.145 -10.109 -10.169 1.00 22.02 H new ATOM 0 HB3 HIS A 19 16.699 -11.640 -9.521 1.00 22.02 H new ATOM 0 HD2 HIS A 19 16.735 -7.904 -8.099 1.00 1.41 H new ATOM 0 HE1 HIS A 19 15.763 -10.609 -4.993 1.00 35.21 H new ATOM 0 HE2 HIS A 19 16.076 -8.161 -5.594 1.00 31.41 H new ATOM 312 N ASP A 20 19.389 -10.379 -12.166 1.00 35.13 N ATOM 313 CA ASP A 20 19.855 -10.996 -13.429 1.00 42.42 C ATOM 314 C ASP A 20 18.785 -10.984 -14.547 1.00 22.11 C ATOM 315 O ASP A 20 19.105 -11.166 -15.725 1.00 41.14 O ATOM 316 CB ASP A 20 20.366 -12.426 -13.171 1.00 74.23 C ATOM 317 CG ASP A 20 20.880 -13.108 -14.428 1.00 12.11 C ATOM 318 OD1 ASP A 20 22.020 -12.819 -14.848 1.00 1.43 O ATOM 319 OD2 ASP A 20 20.149 -13.941 -15.001 1.00 32.42 O ATOM 0 H ASP A 20 19.759 -9.442 -12.009 1.00 35.13 H new ATOM 0 HA ASP A 20 20.678 -10.381 -13.793 1.00 42.42 H new ATOM 0 HB2 ASP A 20 21.165 -12.392 -12.430 1.00 74.23 H new ATOM 0 HB3 ASP A 20 19.560 -13.023 -12.744 1.00 74.23 H new ATOM 324 N ASN A 21 17.527 -10.747 -14.188 1.00 61.35 N ATOM 325 CA ASN A 21 16.431 -10.726 -15.166 1.00 64.25 C ATOM 326 C ASN A 21 16.452 -9.439 -16.018 1.00 2.12 C ATOM 327 O ASN A 21 15.609 -8.551 -15.849 1.00 70.33 O ATOM 328 CB ASN A 21 15.076 -10.864 -14.454 1.00 3.40 C ATOM 329 CG ASN A 21 14.802 -12.265 -13.934 1.00 11.21 C ATOM 330 OD1 ASN A 21 14.219 -12.440 -12.871 1.00 14.01 O ATOM 331 ND2 ASN A 21 15.178 -13.270 -14.694 1.00 62.31 N ATOM 0 H ASN A 21 17.235 -10.566 -13.227 1.00 61.35 H new ATOM 0 HA ASN A 21 16.573 -11.574 -15.836 1.00 64.25 H new ATOM 0 HB2 ASN A 21 15.040 -10.163 -13.620 1.00 3.40 H new ATOM 0 HB3 ASN A 21 14.282 -10.580 -15.144 1.00 3.40 H new ATOM 0 HD21 ASN A 21 14.986 -14.229 -14.404 1.00 62.31 H new ATOM 0 HD22 ASN A 21 15.662 -13.091 -15.574 1.00 62.31 H new ATOM 338 N ALA A 22 17.415 -9.348 -16.933 1.00 52.43 N ATOM 339 CA ALA A 22 17.559 -8.173 -17.802 1.00 22.33 C ATOM 340 C ALA A 22 16.384 -8.046 -18.783 1.00 73.34 C ATOM 341 O ALA A 22 15.814 -6.968 -18.950 1.00 44.45 O ATOM 342 CB ALA A 22 18.885 -8.242 -18.557 1.00 21.02 C ATOM 0 H ALA A 22 18.112 -10.075 -17.095 1.00 52.43 H new ATOM 0 HA ALA A 22 17.553 -7.284 -17.171 1.00 22.33 H new ATOM 0 HB1 ALA A 22 18.984 -7.367 -19.199 1.00 21.02 H new ATOM 0 HB2 ALA A 22 19.709 -8.264 -17.844 1.00 21.02 H new ATOM 0 HB3 ALA A 22 18.910 -9.145 -19.167 1.00 21.02 H new ATOM 348 N SER A 23 16.027 -9.158 -19.422 1.00 62.02 N ATOM 349 CA SER A 23 14.907 -9.189 -20.378 1.00 54.14 C ATOM 350 C SER A 23 13.580 -8.814 -19.702 1.00 13.01 C ATOM 351 O SER A 23 12.826 -7.983 -20.211 1.00 72.02 O ATOM 352 CB SER A 23 14.786 -10.578 -21.020 1.00 13.42 C ATOM 353 OG SER A 23 13.662 -10.656 -21.886 1.00 60.51 O ATOM 0 H SER A 23 16.495 -10.056 -19.299 1.00 62.02 H new ATOM 0 HA SER A 23 15.118 -8.451 -21.152 1.00 54.14 H new ATOM 0 HB2 SER A 23 15.694 -10.801 -21.580 1.00 13.42 H new ATOM 0 HB3 SER A 23 14.699 -11.334 -20.240 1.00 13.42 H new ATOM 0 HG SER A 23 13.614 -11.552 -22.280 1.00 60.51 H new ATOM 359 N ARG A 24 13.298 -9.426 -18.551 1.00 31.12 N ATOM 360 CA ARG A 24 12.089 -9.102 -17.779 1.00 44.12 C ATOM 361 C ARG A 24 12.049 -7.613 -17.401 1.00 4.31 C ATOM 362 O ARG A 24 10.997 -6.974 -17.454 1.00 10.42 O ATOM 363 CB ARG A 24 12.015 -9.964 -16.512 1.00 52.21 C ATOM 364 CG ARG A 24 11.750 -11.440 -16.782 1.00 13.21 C ATOM 365 CD ARG A 24 10.382 -11.650 -17.425 1.00 20.25 C ATOM 366 NE ARG A 24 10.090 -13.061 -17.661 1.00 32.10 N ATOM 367 CZ ARG A 24 9.036 -13.679 -17.198 1.00 20.53 C ATOM 368 NH1 ARG A 24 8.198 -13.068 -16.419 1.00 11.44 N ATOM 369 NH2 ARG A 24 8.831 -14.916 -17.511 1.00 43.21 N ATOM 0 H ARG A 24 13.885 -10.146 -18.131 1.00 31.12 H new ATOM 0 HA ARG A 24 11.226 -9.317 -18.410 1.00 44.12 H new ATOM 0 HB2 ARG A 24 12.952 -9.868 -15.964 1.00 52.21 H new ATOM 0 HB3 ARG A 24 11.227 -9.576 -15.866 1.00 52.21 H new ATOM 0 HG2 ARG A 24 12.526 -11.837 -17.436 1.00 13.21 H new ATOM 0 HG3 ARG A 24 11.804 -11.998 -15.847 1.00 13.21 H new ATOM 0 HD2 ARG A 24 9.612 -11.225 -16.782 1.00 20.25 H new ATOM 0 HD3 ARG A 24 10.341 -11.110 -18.371 1.00 20.25 H new ATOM 0 HE ARG A 24 10.751 -13.598 -18.223 1.00 32.10 H new ATOM 0 HH11 ARG A 24 8.358 -12.094 -16.161 1.00 11.44 H new ATOM 0 HH12 ARG A 24 7.379 -13.561 -16.064 1.00 11.44 H new ATOM 0 HH21 ARG A 24 9.490 -15.405 -18.117 1.00 43.21 H new ATOM 0 HH22 ARG A 24 8.010 -15.403 -17.152 1.00 43.21 H new ATOM 383 N ALA A 25 13.199 -7.069 -17.015 1.00 40.10 N ATOM 384 CA ALA A 25 13.309 -5.642 -16.710 1.00 61.24 C ATOM 385 C ALA A 25 13.022 -4.791 -17.954 1.00 33.44 C ATOM 386 O ALA A 25 12.288 -3.805 -17.889 1.00 60.30 O ATOM 387 CB ALA A 25 14.692 -5.327 -16.160 1.00 2.21 C ATOM 0 H ALA A 25 14.068 -7.592 -16.905 1.00 40.10 H new ATOM 0 HA ALA A 25 12.564 -5.396 -15.953 1.00 61.24 H new ATOM 0 HB1 ALA A 25 14.761 -4.262 -15.937 1.00 2.21 H new ATOM 0 HB2 ALA A 25 14.860 -5.900 -15.248 1.00 2.21 H new ATOM 0 HB3 ALA A 25 15.447 -5.592 -16.900 1.00 2.21 H new ATOM 393 N LEU A 26 13.603 -5.192 -19.086 1.00 4.42 N ATOM 394 CA LEU A 26 13.394 -4.507 -20.368 1.00 20.21 C ATOM 395 C LEU A 26 11.898 -4.383 -20.696 1.00 23.25 C ATOM 396 O LEU A 26 11.415 -3.303 -21.036 1.00 32.00 O ATOM 397 CB LEU A 26 14.123 -5.266 -21.491 1.00 13.00 C ATOM 398 CG LEU A 26 13.992 -4.665 -22.904 1.00 54.34 C ATOM 399 CD1 LEU A 26 14.547 -3.245 -22.949 1.00 1.32 C ATOM 400 CD2 LEU A 26 14.696 -5.550 -23.929 1.00 63.42 C ATOM 0 H LEU A 26 14.229 -5.996 -19.143 1.00 4.42 H new ATOM 0 HA LEU A 26 13.804 -3.500 -20.288 1.00 20.21 H new ATOM 0 HB2 LEU A 26 15.182 -5.322 -21.238 1.00 13.00 H new ATOM 0 HB3 LEU A 26 13.747 -6.289 -21.516 1.00 13.00 H new ATOM 0 HG LEU A 26 12.932 -4.620 -23.155 1.00 54.34 H new ATOM 0 HD11 LEU A 26 14.442 -2.845 -23.958 1.00 1.32 H new ATOM 0 HD12 LEU A 26 13.995 -2.616 -22.250 1.00 1.32 H new ATOM 0 HD13 LEU A 26 15.601 -3.257 -22.672 1.00 1.32 H new ATOM 0 HD21 LEU A 26 14.593 -5.110 -24.921 1.00 63.42 H new ATOM 0 HD22 LEU A 26 15.753 -5.630 -23.675 1.00 63.42 H new ATOM 0 HD23 LEU A 26 14.245 -6.542 -23.924 1.00 63.42 H new ATOM 412 N ALA A 27 11.171 -5.492 -20.570 1.00 22.51 N ATOM 413 CA ALA A 27 9.724 -5.507 -20.815 1.00 21.51 C ATOM 414 C ALA A 27 8.985 -4.499 -19.918 1.00 74.14 C ATOM 415 O ALA A 27 8.007 -3.875 -20.338 1.00 2.42 O ATOM 416 CB ALA A 27 9.171 -6.910 -20.598 1.00 72.44 C ATOM 0 H ALA A 27 11.559 -6.396 -20.299 1.00 22.51 H new ATOM 0 HA ALA A 27 9.558 -5.211 -21.851 1.00 21.51 H new ATOM 0 HB1 ALA A 27 8.097 -6.910 -20.782 1.00 72.44 H new ATOM 0 HB2 ALA A 27 9.657 -7.603 -21.285 1.00 72.44 H new ATOM 0 HB3 ALA A 27 9.363 -7.222 -19.571 1.00 72.44 H new ATOM 422 N LEU A 28 9.452 -4.348 -18.680 1.00 63.30 N ATOM 423 CA LEU A 28 8.861 -3.385 -17.747 1.00 11.04 C ATOM 424 C LEU A 28 9.205 -1.940 -18.135 1.00 51.05 C ATOM 425 O LEU A 28 8.324 -1.086 -18.181 1.00 52.42 O ATOM 426 CB LEU A 28 9.310 -3.673 -16.308 1.00 2.42 C ATOM 427 CG LEU A 28 8.775 -4.983 -15.709 1.00 54.13 C ATOM 428 CD1 LEU A 28 9.263 -5.165 -14.276 1.00 42.11 C ATOM 429 CD2 LEU A 28 7.251 -5.016 -15.761 1.00 72.13 C ATOM 0 H LEU A 28 10.236 -4.878 -18.299 1.00 63.30 H new ATOM 0 HA LEU A 28 7.778 -3.498 -17.804 1.00 11.04 H new ATOM 0 HB2 LEU A 28 10.399 -3.698 -16.282 1.00 2.42 H new ATOM 0 HB3 LEU A 28 8.994 -2.845 -15.673 1.00 2.42 H new ATOM 0 HG LEU A 28 9.159 -5.809 -16.308 1.00 54.13 H new ATOM 0 HD11 LEU A 28 8.871 -6.099 -13.874 1.00 42.11 H new ATOM 0 HD12 LEU A 28 10.353 -5.193 -14.264 1.00 42.11 H new ATOM 0 HD13 LEU A 28 8.915 -4.333 -13.665 1.00 42.11 H new ATOM 0 HD21 LEU A 28 6.892 -5.952 -15.332 1.00 72.13 H new ATOM 0 HD22 LEU A 28 6.849 -4.178 -15.191 1.00 72.13 H new ATOM 0 HD23 LEU A 28 6.921 -4.942 -16.797 1.00 72.13 H new ATOM 441 N PHE A 29 10.481 -1.666 -18.422 1.00 23.34 N ATOM 442 CA PHE A 29 10.902 -0.321 -18.848 1.00 63.41 C ATOM 443 C PHE A 29 10.158 0.125 -20.117 1.00 54.43 C ATOM 444 O PHE A 29 9.644 1.243 -20.182 1.00 40.32 O ATOM 445 CB PHE A 29 12.418 -0.265 -19.084 1.00 61.55 C ATOM 446 CG PHE A 29 13.243 -0.283 -17.820 1.00 22.54 C ATOM 447 CD1 PHE A 29 13.250 0.812 -16.965 1.00 25.14 C ATOM 448 CD2 PHE A 29 14.015 -1.387 -17.488 1.00 21.02 C ATOM 449 CE1 PHE A 29 14.007 0.802 -15.809 1.00 43.13 C ATOM 450 CE2 PHE A 29 14.774 -1.400 -16.334 1.00 55.03 C ATOM 451 CZ PHE A 29 14.770 -0.304 -15.492 1.00 22.21 C ATOM 0 H PHE A 29 11.237 -2.349 -18.369 1.00 23.34 H new ATOM 0 HA PHE A 29 10.648 0.366 -18.041 1.00 63.41 H new ATOM 0 HB2 PHE A 29 12.709 -1.111 -19.706 1.00 61.55 H new ATOM 0 HB3 PHE A 29 12.654 0.639 -19.645 1.00 61.55 H new ATOM 0 HD1 PHE A 29 12.657 1.681 -17.207 1.00 25.14 H new ATOM 0 HD2 PHE A 29 14.023 -2.248 -18.140 1.00 21.02 H new ATOM 0 HE1 PHE A 29 14.002 1.660 -15.153 1.00 43.13 H new ATOM 0 HE2 PHE A 29 15.371 -2.267 -16.090 1.00 55.03 H new ATOM 0 HZ PHE A 29 15.362 -0.313 -14.589 1.00 22.21 H new ATOM 461 N GLU A 30 10.102 -0.751 -21.121 1.00 11.35 N ATOM 462 CA GLU A 30 9.337 -0.477 -22.342 1.00 63.22 C ATOM 463 C GLU A 30 7.866 -0.178 -22.010 1.00 71.41 C ATOM 464 O GLU A 30 7.276 0.778 -22.522 1.00 42.41 O ATOM 465 CB GLU A 30 9.415 -1.670 -23.307 1.00 4.25 C ATOM 466 CG GLU A 30 10.819 -1.974 -23.819 1.00 71.34 C ATOM 467 CD GLU A 30 10.825 -3.087 -24.857 1.00 32.23 C ATOM 468 OE1 GLU A 30 10.418 -4.219 -24.524 1.00 44.10 O ATOM 469 OE2 GLU A 30 11.200 -2.825 -26.023 1.00 12.04 O ATOM 0 H GLU A 30 10.575 -1.655 -21.115 1.00 11.35 H new ATOM 0 HA GLU A 30 9.775 0.399 -22.821 1.00 63.22 H new ATOM 0 HB2 GLU A 30 9.025 -2.555 -22.804 1.00 4.25 H new ATOM 0 HB3 GLU A 30 8.764 -1.475 -24.160 1.00 4.25 H new ATOM 0 HG2 GLU A 30 11.248 -1.072 -24.254 1.00 71.34 H new ATOM 0 HG3 GLU A 30 11.456 -2.258 -22.981 1.00 71.34 H new ATOM 476 N GLU A 31 7.286 -1.002 -21.138 1.00 72.54 N ATOM 477 CA GLU A 31 5.903 -0.811 -20.692 1.00 4.12 C ATOM 478 C GLU A 31 5.727 0.551 -19.999 1.00 43.15 C ATOM 479 O GLU A 31 4.727 1.236 -20.199 1.00 25.22 O ATOM 480 CB GLU A 31 5.488 -1.940 -19.739 1.00 14.04 C ATOM 481 CG GLU A 31 4.002 -1.936 -19.388 1.00 12.00 C ATOM 482 CD GLU A 31 3.633 -3.008 -18.376 1.00 32.11 C ATOM 483 OE1 GLU A 31 3.582 -4.197 -18.753 1.00 13.34 O ATOM 484 OE2 GLU A 31 3.404 -2.665 -17.198 1.00 23.22 O ATOM 0 H GLU A 31 7.752 -1.810 -20.725 1.00 72.54 H new ATOM 0 HA GLU A 31 5.261 -0.833 -21.573 1.00 4.12 H new ATOM 0 HB2 GLU A 31 5.742 -2.898 -20.193 1.00 14.04 H new ATOM 0 HB3 GLU A 31 6.069 -1.859 -18.820 1.00 14.04 H new ATOM 0 HG2 GLU A 31 3.730 -0.958 -18.990 1.00 12.00 H new ATOM 0 HG3 GLU A 31 3.418 -2.084 -20.297 1.00 12.00 H new ATOM 491 N LEU A 32 6.711 0.938 -19.189 1.00 35.34 N ATOM 492 CA LEU A 32 6.690 2.238 -18.508 1.00 13.12 C ATOM 493 C LEU A 32 6.583 3.393 -19.515 1.00 53.23 C ATOM 494 O LEU A 32 5.924 4.393 -19.250 1.00 2.43 O ATOM 495 CB LEU A 32 7.950 2.422 -17.647 1.00 34.34 C ATOM 496 CG LEU A 32 8.103 1.448 -16.468 1.00 62.24 C ATOM 497 CD1 LEU A 32 9.452 1.639 -15.779 1.00 34.01 C ATOM 498 CD2 LEU A 32 6.960 1.622 -15.472 1.00 62.32 C ATOM 0 H LEU A 32 7.535 0.372 -18.986 1.00 35.34 H new ATOM 0 HA LEU A 32 5.811 2.254 -17.864 1.00 13.12 H new ATOM 0 HB2 LEU A 32 8.824 2.324 -18.291 1.00 34.34 H new ATOM 0 HB3 LEU A 32 7.955 3.439 -17.256 1.00 34.34 H new ATOM 0 HG LEU A 32 8.062 0.432 -16.860 1.00 62.24 H new ATOM 0 HD11 LEU A 32 9.538 0.939 -14.948 1.00 34.01 H new ATOM 0 HD12 LEU A 32 10.255 1.455 -16.493 1.00 34.01 H new ATOM 0 HD13 LEU A 32 9.528 2.660 -15.404 1.00 34.01 H new ATOM 0 HD21 LEU A 32 7.088 0.923 -14.646 1.00 62.32 H new ATOM 0 HD22 LEU A 32 6.964 2.642 -15.088 1.00 62.32 H new ATOM 0 HD23 LEU A 32 6.010 1.425 -15.970 1.00 62.32 H new ATOM 510 N VAL A 33 7.231 3.245 -20.671 1.00 23.14 N ATOM 511 CA VAL A 33 7.218 4.289 -21.705 1.00 42.43 C ATOM 512 C VAL A 33 5.831 4.435 -22.362 1.00 61.52 C ATOM 513 O VAL A 33 5.398 5.542 -22.684 1.00 31.31 O ATOM 514 CB VAL A 33 8.279 4.008 -22.800 1.00 73.35 C ATOM 515 CG1 VAL A 33 8.287 5.115 -23.855 1.00 21.23 C ATOM 516 CG2 VAL A 33 9.662 3.849 -22.173 1.00 21.23 C ATOM 0 H VAL A 33 7.771 2.416 -20.918 1.00 23.14 H new ATOM 0 HA VAL A 33 7.460 5.225 -21.202 1.00 42.43 H new ATOM 0 HB VAL A 33 8.015 3.075 -23.298 1.00 73.35 H new ATOM 0 HG11 VAL A 33 9.040 4.892 -24.611 1.00 21.23 H new ATOM 0 HG12 VAL A 33 7.306 5.175 -24.327 1.00 21.23 H new ATOM 0 HG13 VAL A 33 8.520 6.068 -23.380 1.00 21.23 H new ATOM 0 HG21 VAL A 33 10.396 3.652 -22.955 1.00 21.23 H new ATOM 0 HG22 VAL A 33 9.930 4.765 -21.646 1.00 21.23 H new ATOM 0 HG23 VAL A 33 9.649 3.016 -21.470 1.00 21.23 H new ATOM 526 N GLU A 34 5.144 3.315 -22.577 1.00 22.23 N ATOM 527 CA GLU A 34 3.806 3.338 -23.189 1.00 25.01 C ATOM 528 C GLU A 34 2.700 3.652 -22.161 1.00 5.54 C ATOM 529 O GLU A 34 1.691 4.271 -22.500 1.00 15.25 O ATOM 530 CB GLU A 34 3.519 2.011 -23.915 1.00 33.25 C ATOM 531 CG GLU A 34 3.612 0.776 -23.027 1.00 60.41 C ATOM 532 CD GLU A 34 3.417 -0.519 -23.802 1.00 51.44 C ATOM 533 OE1 GLU A 34 4.415 -1.072 -24.316 1.00 3.11 O ATOM 534 OE2 GLU A 34 2.266 -0.991 -23.905 1.00 73.14 O ATOM 0 H GLU A 34 5.484 2.383 -22.340 1.00 22.23 H new ATOM 0 HA GLU A 34 3.799 4.146 -23.921 1.00 25.01 H new ATOM 0 HB2 GLU A 34 2.520 2.057 -24.350 1.00 33.25 H new ATOM 0 HB3 GLU A 34 4.222 1.903 -24.741 1.00 33.25 H new ATOM 0 HG2 GLU A 34 4.585 0.758 -22.537 1.00 60.41 H new ATOM 0 HG3 GLU A 34 2.860 0.841 -22.241 1.00 60.41 H new ATOM 541 N THR A 35 2.892 3.234 -20.907 1.00 51.32 N ATOM 542 CA THR A 35 1.895 3.476 -19.846 1.00 4.10 C ATOM 543 C THR A 35 2.086 4.846 -19.178 1.00 74.22 C ATOM 544 O THR A 35 1.120 5.575 -18.944 1.00 72.00 O ATOM 545 CB THR A 35 1.935 2.384 -18.747 1.00 23.24 C ATOM 546 OG1 THR A 35 3.214 2.377 -18.087 1.00 22.15 O ATOM 547 CG2 THR A 35 1.655 1.006 -19.334 1.00 40.52 C ATOM 0 H THR A 35 3.722 2.729 -20.597 1.00 51.32 H new ATOM 0 HA THR A 35 0.926 3.449 -20.345 1.00 4.10 H new ATOM 0 HB THR A 35 1.158 2.618 -18.019 1.00 23.24 H new ATOM 0 HG1 THR A 35 3.201 3.013 -17.342 1.00 22.15 H new ATOM 0 HG21 THR A 35 1.689 0.259 -18.541 1.00 40.52 H new ATOM 0 HG22 THR A 35 0.667 1.001 -19.795 1.00 40.52 H new ATOM 0 HG23 THR A 35 2.408 0.771 -20.086 1.00 40.52 H new ATOM 555 N ASP A 36 3.337 5.195 -18.869 1.00 3.21 N ATOM 556 CA ASP A 36 3.658 6.471 -18.204 1.00 21.04 C ATOM 557 C ASP A 36 4.735 7.260 -18.987 1.00 42.34 C ATOM 558 O ASP A 36 5.883 7.374 -18.548 1.00 65.44 O ATOM 559 CB ASP A 36 4.136 6.210 -16.765 1.00 65.51 C ATOM 560 CG ASP A 36 3.079 5.525 -15.916 1.00 34.43 C ATOM 561 OD1 ASP A 36 2.993 4.278 -15.948 1.00 74.30 O ATOM 562 OD2 ASP A 36 2.314 6.229 -15.226 1.00 44.43 O ATOM 0 H ASP A 36 4.151 4.613 -19.067 1.00 3.21 H new ATOM 0 HA ASP A 36 2.751 7.075 -18.179 1.00 21.04 H new ATOM 0 HB2 ASP A 36 5.034 5.592 -16.790 1.00 65.51 H new ATOM 0 HB3 ASP A 36 4.413 7.156 -16.300 1.00 65.51 H new ATOM 567 N PRO A 37 4.373 7.829 -20.157 1.00 13.33 N ATOM 568 CA PRO A 37 5.332 8.532 -21.038 1.00 52.42 C ATOM 569 C PRO A 37 5.932 9.802 -20.406 1.00 34.52 C ATOM 570 O PRO A 37 6.961 10.308 -20.858 1.00 62.34 O ATOM 571 CB PRO A 37 4.487 8.900 -22.275 1.00 52.32 C ATOM 572 CG PRO A 37 3.272 8.036 -22.191 1.00 43.34 C ATOM 573 CD PRO A 37 3.015 7.836 -20.725 1.00 11.21 C ATOM 0 HA PRO A 37 6.195 7.903 -21.256 1.00 52.42 H new ATOM 0 HB2 PRO A 37 4.220 9.957 -22.269 1.00 52.32 H new ATOM 0 HB3 PRO A 37 5.038 8.716 -23.197 1.00 52.32 H new ATOM 0 HG2 PRO A 37 2.420 8.511 -22.676 1.00 43.34 H new ATOM 0 HG3 PRO A 37 3.434 7.082 -22.694 1.00 43.34 H new ATOM 0 HD2 PRO A 37 2.406 8.638 -20.308 1.00 11.21 H new ATOM 0 HD3 PRO A 37 2.489 6.901 -20.530 1.00 11.21 H new ATOM 581 N ASP A 38 5.279 10.318 -19.368 1.00 12.30 N ATOM 582 CA ASP A 38 5.732 11.539 -18.693 1.00 20.25 C ATOM 583 C ASP A 38 6.863 11.260 -17.686 1.00 14.24 C ATOM 584 O ASP A 38 7.548 12.182 -17.239 1.00 22.24 O ATOM 585 CB ASP A 38 4.547 12.205 -17.986 1.00 65.51 C ATOM 586 CG ASP A 38 3.376 12.428 -18.926 1.00 51.30 C ATOM 587 OD1 ASP A 38 3.363 13.452 -19.643 1.00 71.43 O ATOM 588 OD2 ASP A 38 2.461 11.580 -18.950 1.00 31.03 O ATOM 0 H ASP A 38 4.432 9.911 -18.972 1.00 12.30 H new ATOM 0 HA ASP A 38 6.135 12.210 -19.452 1.00 20.25 H new ATOM 0 HB2 ASP A 38 4.227 11.583 -17.150 1.00 65.51 H new ATOM 0 HB3 ASP A 38 4.864 13.161 -17.569 1.00 65.51 H new ATOM 593 N TYR A 39 7.061 9.989 -17.335 1.00 24.04 N ATOM 594 CA TYR A 39 8.094 9.605 -16.365 1.00 42.15 C ATOM 595 C TYR A 39 9.478 9.562 -17.046 1.00 32.33 C ATOM 596 O TYR A 39 9.922 8.515 -17.525 1.00 51.31 O ATOM 597 CB TYR A 39 7.736 8.245 -15.734 1.00 33.43 C ATOM 598 CG TYR A 39 8.539 7.880 -14.493 1.00 63.14 C ATOM 599 CD1 TYR A 39 8.708 8.792 -13.455 1.00 13.12 C ATOM 600 CD2 TYR A 39 9.105 6.617 -14.349 1.00 75.44 C ATOM 601 CE1 TYR A 39 9.419 8.455 -12.317 1.00 71.41 C ATOM 602 CE2 TYR A 39 9.817 6.277 -13.214 1.00 52.53 C ATOM 603 CZ TYR A 39 9.972 7.199 -12.202 1.00 20.12 C ATOM 604 OH TYR A 39 10.680 6.860 -11.070 1.00 71.51 O ATOM 0 H TYR A 39 6.522 9.207 -17.706 1.00 24.04 H new ATOM 0 HA TYR A 39 8.139 10.349 -15.570 1.00 42.15 H new ATOM 0 HB2 TYR A 39 6.677 8.249 -15.475 1.00 33.43 H new ATOM 0 HB3 TYR A 39 7.878 7.466 -16.483 1.00 33.43 H new ATOM 0 HD1 TYR A 39 8.277 9.779 -13.539 1.00 13.12 H new ATOM 0 HD2 TYR A 39 8.986 5.889 -15.138 1.00 75.44 H new ATOM 0 HE1 TYR A 39 9.540 9.175 -11.521 1.00 71.41 H new ATOM 0 HE2 TYR A 39 10.250 5.292 -13.121 1.00 52.53 H new ATOM 0 HH TYR A 39 10.974 5.928 -11.135 1.00 71.51 H new ATOM 614 N VAL A 40 10.143 10.721 -17.094 1.00 71.12 N ATOM 615 CA VAL A 40 11.398 10.888 -17.847 1.00 30.24 C ATOM 616 C VAL A 40 12.502 9.911 -17.398 1.00 61.25 C ATOM 617 O VAL A 40 13.268 9.407 -18.226 1.00 22.10 O ATOM 618 CB VAL A 40 11.926 12.343 -17.735 1.00 60.21 C ATOM 619 CG1 VAL A 40 13.212 12.525 -18.538 1.00 64.24 C ATOM 620 CG2 VAL A 40 10.863 13.345 -18.187 1.00 40.12 C ATOM 0 H VAL A 40 9.832 11.567 -16.616 1.00 71.12 H new ATOM 0 HA VAL A 40 11.155 10.662 -18.885 1.00 30.24 H new ATOM 0 HB VAL A 40 12.153 12.534 -16.686 1.00 60.21 H new ATOM 0 HG11 VAL A 40 13.559 13.554 -18.441 1.00 64.24 H new ATOM 0 HG12 VAL A 40 13.977 11.847 -18.159 1.00 64.24 H new ATOM 0 HG13 VAL A 40 13.020 12.304 -19.588 1.00 64.24 H new ATOM 0 HG21 VAL A 40 11.257 14.358 -18.099 1.00 40.12 H new ATOM 0 HG22 VAL A 40 10.596 13.148 -19.225 1.00 40.12 H new ATOM 0 HG23 VAL A 40 9.978 13.244 -17.559 1.00 40.12 H new ATOM 630 N GLY A 41 12.571 9.638 -16.095 1.00 62.43 N ATOM 631 CA GLY A 41 13.590 8.735 -15.561 1.00 54.32 C ATOM 632 C GLY A 41 13.686 7.410 -16.316 1.00 0.05 C ATOM 633 O GLY A 41 14.784 6.896 -16.547 1.00 73.51 O ATOM 0 H GLY A 41 11.939 10.026 -15.395 1.00 62.43 H new ATOM 0 HA2 GLY A 41 14.559 9.233 -15.593 1.00 54.32 H new ATOM 0 HA3 GLY A 41 13.371 8.532 -14.513 1.00 54.32 H new ATOM 637 N THR A 42 12.537 6.866 -16.719 1.00 4.43 N ATOM 638 CA THR A 42 12.491 5.590 -17.447 1.00 64.44 C ATOM 639 C THR A 42 13.368 5.616 -18.705 1.00 20.23 C ATOM 640 O THR A 42 14.093 4.664 -18.982 1.00 63.21 O ATOM 641 CB THR A 42 11.046 5.220 -17.865 1.00 33.43 C ATOM 642 OG1 THR A 42 10.213 5.106 -16.704 1.00 60.31 O ATOM 643 CG2 THR A 42 11.012 3.908 -18.642 1.00 11.32 C ATOM 0 H THR A 42 11.623 7.287 -16.555 1.00 4.43 H new ATOM 0 HA THR A 42 12.874 4.839 -16.756 1.00 64.44 H new ATOM 0 HB THR A 42 10.673 6.014 -18.511 1.00 33.43 H new ATOM 0 HG1 THR A 42 10.196 5.963 -16.228 1.00 60.31 H new ATOM 0 HG21 THR A 42 9.984 3.677 -18.921 1.00 11.32 H new ATOM 0 HG22 THR A 42 11.619 4.002 -19.542 1.00 11.32 H new ATOM 0 HG23 THR A 42 11.408 3.106 -18.019 1.00 11.32 H new ATOM 651 N TYR A 43 13.316 6.722 -19.446 1.00 30.03 N ATOM 652 CA TYR A 43 14.029 6.838 -20.727 1.00 43.20 C ATOM 653 C TYR A 43 15.547 6.678 -20.566 1.00 64.03 C ATOM 654 O TYR A 43 16.187 5.956 -21.331 1.00 70.42 O ATOM 655 CB TYR A 43 13.712 8.185 -21.389 1.00 13.41 C ATOM 656 CG TYR A 43 12.250 8.343 -21.756 1.00 52.34 C ATOM 657 CD1 TYR A 43 11.335 8.866 -20.850 1.00 13.44 C ATOM 658 CD2 TYR A 43 11.785 7.963 -23.010 1.00 63.51 C ATOM 659 CE1 TYR A 43 10.003 9.006 -21.180 1.00 24.25 C ATOM 660 CE2 TYR A 43 10.455 8.101 -23.347 1.00 24.14 C ATOM 661 CZ TYR A 43 9.568 8.623 -22.429 1.00 23.11 C ATOM 662 OH TYR A 43 8.243 8.766 -22.765 1.00 3.13 O ATOM 0 H TYR A 43 12.788 7.554 -19.185 1.00 30.03 H new ATOM 0 HA TYR A 43 13.681 6.025 -21.364 1.00 43.20 H new ATOM 0 HB2 TYR A 43 13.999 8.991 -20.713 1.00 13.41 H new ATOM 0 HB3 TYR A 43 14.319 8.292 -22.288 1.00 13.41 H new ATOM 0 HD1 TYR A 43 11.673 9.168 -19.870 1.00 13.44 H new ATOM 0 HD2 TYR A 43 12.476 7.553 -23.731 1.00 63.51 H new ATOM 0 HE1 TYR A 43 9.306 9.414 -20.463 1.00 24.25 H new ATOM 0 HE2 TYR A 43 10.109 7.802 -24.325 1.00 24.14 H new ATOM 0 HH TYR A 43 7.776 9.251 -22.053 1.00 3.13 H new ATOM 672 N TYR A 44 16.120 7.348 -19.570 1.00 25.13 N ATOM 673 CA TYR A 44 17.566 7.277 -19.339 1.00 62.53 C ATOM 674 C TYR A 44 17.998 5.859 -18.926 1.00 24.31 C ATOM 675 O TYR A 44 18.936 5.297 -19.489 1.00 40.44 O ATOM 676 CB TYR A 44 17.991 8.291 -18.268 1.00 14.21 C ATOM 677 CG TYR A 44 19.497 8.370 -18.070 1.00 61.24 C ATOM 678 CD1 TYR A 44 20.286 9.146 -18.913 1.00 31.34 C ATOM 679 CD2 TYR A 44 20.130 7.665 -17.049 1.00 72.40 C ATOM 680 CE1 TYR A 44 21.657 9.217 -18.746 1.00 42.00 C ATOM 681 CE2 TYR A 44 21.500 7.734 -16.877 1.00 44.03 C ATOM 682 CZ TYR A 44 22.259 8.510 -17.727 1.00 63.12 C ATOM 683 OH TYR A 44 23.626 8.576 -17.557 1.00 70.22 O ATOM 0 H TYR A 44 15.614 7.942 -18.913 1.00 25.13 H new ATOM 0 HA TYR A 44 18.063 7.523 -20.277 1.00 62.53 H new ATOM 0 HB2 TYR A 44 17.617 9.277 -18.544 1.00 14.21 H new ATOM 0 HB3 TYR A 44 17.522 8.025 -17.321 1.00 14.21 H new ATOM 0 HD1 TYR A 44 19.820 9.703 -19.712 1.00 31.34 H new ATOM 0 HD2 TYR A 44 19.541 7.054 -16.381 1.00 72.40 H new ATOM 0 HE1 TYR A 44 22.254 9.824 -19.411 1.00 42.00 H new ATOM 0 HE2 TYR A 44 21.974 7.182 -16.079 1.00 44.03 H new ATOM 0 HH TYR A 44 23.888 8.020 -16.794 1.00 70.22 H new ATOM 693 N HIS A 45 17.301 5.283 -17.946 1.00 32.40 N ATOM 694 CA HIS A 45 17.627 3.937 -17.457 1.00 33.42 C ATOM 695 C HIS A 45 17.389 2.867 -18.542 1.00 64.31 C ATOM 696 O HIS A 45 18.177 1.931 -18.687 1.00 73.04 O ATOM 697 CB HIS A 45 16.815 3.613 -16.192 1.00 14.52 C ATOM 698 CG HIS A 45 17.137 4.502 -15.022 1.00 4.24 C ATOM 699 ND1 HIS A 45 18.172 4.250 -14.147 1.00 13.53 N ATOM 700 CD2 HIS A 45 16.551 5.642 -14.578 1.00 55.24 C ATOM 701 CE1 HIS A 45 18.208 5.190 -13.224 1.00 2.10 C ATOM 702 NE2 HIS A 45 17.238 6.046 -13.461 1.00 40.34 N ATOM 0 H HIS A 45 16.510 5.723 -17.475 1.00 32.40 H new ATOM 0 HA HIS A 45 18.688 3.923 -17.206 1.00 33.42 H new ATOM 0 HB2 HIS A 45 15.753 3.699 -16.421 1.00 14.52 H new ATOM 0 HB3 HIS A 45 16.997 2.576 -15.910 1.00 14.52 H new ATOM 0 HD2 HIS A 45 15.701 6.139 -15.022 1.00 55.24 H new ATOM 0 HE1 HIS A 45 18.915 5.248 -12.410 1.00 2.10 H new ATOM 0 HE2 HIS A 45 17.030 6.875 -12.905 1.00 40.34 H new ATOM 711 N LEU A 46 16.308 3.019 -19.303 1.00 60.33 N ATOM 712 CA LEU A 46 16.006 2.108 -20.416 1.00 32.21 C ATOM 713 C LEU A 46 17.055 2.233 -21.531 1.00 72.05 C ATOM 714 O LEU A 46 17.469 1.235 -22.126 1.00 3.15 O ATOM 715 CB LEU A 46 14.600 2.394 -20.969 1.00 63.11 C ATOM 716 CG LEU A 46 14.206 1.609 -22.232 1.00 63.44 C ATOM 717 CD1 LEU A 46 14.326 0.104 -22.006 1.00 44.32 C ATOM 718 CD2 LEU A 46 12.790 1.976 -22.673 1.00 51.12 C ATOM 0 H LEU A 46 15.623 3.764 -19.173 1.00 60.33 H new ATOM 0 HA LEU A 46 16.036 1.086 -20.038 1.00 32.21 H new ATOM 0 HB2 LEU A 46 13.872 2.178 -20.187 1.00 63.11 H new ATOM 0 HB3 LEU A 46 14.526 3.459 -21.188 1.00 63.11 H new ATOM 0 HG LEU A 46 14.898 1.884 -23.028 1.00 63.44 H new ATOM 0 HD11 LEU A 46 14.041 -0.424 -22.916 1.00 44.32 H new ATOM 0 HD12 LEU A 46 15.356 -0.144 -21.750 1.00 44.32 H new ATOM 0 HD13 LEU A 46 13.667 -0.195 -21.191 1.00 44.32 H new ATOM 0 HD21 LEU A 46 12.530 1.411 -23.568 1.00 51.12 H new ATOM 0 HD22 LEU A 46 12.087 1.737 -21.875 1.00 51.12 H new ATOM 0 HD23 LEU A 46 12.742 3.043 -22.891 1.00 51.12 H new ATOM 730 N GLY A 47 17.483 3.462 -21.805 1.00 51.52 N ATOM 731 CA GLY A 47 18.538 3.689 -22.783 1.00 51.14 C ATOM 732 C GLY A 47 19.826 2.950 -22.438 1.00 54.33 C ATOM 733 O GLY A 47 20.398 2.257 -23.282 1.00 13.31 O ATOM 0 H GLY A 47 17.118 4.308 -21.367 1.00 51.52 H new ATOM 0 HA2 GLY A 47 18.192 3.369 -23.766 1.00 51.14 H new ATOM 0 HA3 GLY A 47 18.743 4.757 -22.849 1.00 51.14 H new ATOM 737 N LYS A 48 20.274 3.085 -21.187 1.00 42.14 N ATOM 738 CA LYS A 48 21.472 2.379 -20.711 1.00 24.51 C ATOM 739 C LYS A 48 21.314 0.858 -20.870 1.00 51.12 C ATOM 740 O LYS A 48 22.283 0.141 -21.130 1.00 3.31 O ATOM 741 CB LYS A 48 21.756 2.719 -19.234 1.00 23.12 C ATOM 742 CG LYS A 48 21.803 4.218 -18.927 1.00 60.10 C ATOM 743 CD LYS A 48 22.899 4.959 -19.699 1.00 20.42 C ATOM 744 CE LYS A 48 24.306 4.648 -19.184 1.00 3.24 C ATOM 745 NZ LYS A 48 24.763 3.279 -19.544 1.00 45.31 N ATOM 0 H LYS A 48 19.828 3.675 -20.485 1.00 42.14 H new ATOM 0 HA LYS A 48 22.314 2.710 -21.320 1.00 24.51 H new ATOM 0 HB2 LYS A 48 20.988 2.258 -18.614 1.00 23.12 H new ATOM 0 HB3 LYS A 48 22.708 2.272 -18.948 1.00 23.12 H new ATOM 0 HG2 LYS A 48 20.836 4.661 -19.166 1.00 60.10 H new ATOM 0 HG3 LYS A 48 21.963 4.358 -17.858 1.00 60.10 H new ATOM 0 HD2 LYS A 48 22.837 4.692 -20.754 1.00 20.42 H new ATOM 0 HD3 LYS A 48 22.722 6.032 -19.631 1.00 20.42 H new ATOM 0 HE2 LYS A 48 25.006 5.378 -19.590 1.00 3.24 H new ATOM 0 HE3 LYS A 48 24.324 4.758 -18.100 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 25.800 3.267 -19.615 1.00 45.31 H new ATOM 0 HZ2 LYS A 48 24.458 2.607 -18.811 1.00 45.31 H new ATOM 0 HZ3 LYS A 48 24.350 3.004 -20.458 1.00 45.31 H new ATOM 759 N LEU A 49 20.081 0.373 -20.713 1.00 62.14 N ATOM 760 CA LEU A 49 19.776 -1.049 -20.892 1.00 4.23 C ATOM 761 C LEU A 49 19.912 -1.458 -22.369 1.00 54.11 C ATOM 762 O LEU A 49 20.474 -2.511 -22.678 1.00 55.43 O ATOM 763 CB LEU A 49 18.367 -1.363 -20.363 1.00 11.42 C ATOM 764 CG LEU A 49 17.950 -2.846 -20.410 1.00 74.34 C ATOM 765 CD1 LEU A 49 18.982 -3.728 -19.706 1.00 31.21 C ATOM 766 CD2 LEU A 49 16.575 -3.031 -19.775 1.00 24.35 C ATOM 0 H LEU A 49 19.275 0.945 -20.462 1.00 62.14 H new ATOM 0 HA LEU A 49 20.497 -1.631 -20.318 1.00 4.23 H new ATOM 0 HB2 LEU A 49 18.302 -1.019 -19.331 1.00 11.42 H new ATOM 0 HB3 LEU A 49 17.645 -0.783 -20.939 1.00 11.42 H new ATOM 0 HG LEU A 49 17.899 -3.151 -21.455 1.00 74.34 H new ATOM 0 HD11 LEU A 49 18.664 -4.769 -19.754 1.00 31.21 H new ATOM 0 HD12 LEU A 49 19.948 -3.621 -20.199 1.00 31.21 H new ATOM 0 HD13 LEU A 49 19.071 -3.423 -18.663 1.00 31.21 H new ATOM 0 HD21 LEU A 49 16.294 -4.083 -19.816 1.00 24.35 H new ATOM 0 HD22 LEU A 49 16.607 -2.704 -18.736 1.00 24.35 H new ATOM 0 HD23 LEU A 49 15.840 -2.438 -20.319 1.00 24.35 H new ATOM 778 N TYR A 50 19.412 -0.620 -23.281 1.00 61.42 N ATOM 779 CA TYR A 50 19.617 -0.849 -24.717 1.00 1.32 C ATOM 780 C TYR A 50 21.117 -0.874 -25.056 1.00 50.25 C ATOM 781 O TYR A 50 21.574 -1.734 -25.809 1.00 53.24 O ATOM 782 CB TYR A 50 18.909 0.219 -25.565 1.00 33.12 C ATOM 783 CG TYR A 50 17.405 0.032 -25.699 1.00 61.41 C ATOM 784 CD1 TYR A 50 16.876 -1.143 -26.227 1.00 5.14 C ATOM 785 CD2 TYR A 50 16.517 1.033 -25.319 1.00 4.42 C ATOM 786 CE1 TYR A 50 15.510 -1.313 -26.367 1.00 75.21 C ATOM 787 CE2 TYR A 50 15.151 0.870 -25.461 1.00 72.34 C ATOM 788 CZ TYR A 50 14.652 -0.303 -25.984 1.00 32.15 C ATOM 789 OH TYR A 50 13.290 -0.462 -26.132 1.00 24.11 O ATOM 0 H TYR A 50 18.869 0.214 -23.057 1.00 61.42 H new ATOM 0 HA TYR A 50 19.181 -1.819 -24.956 1.00 1.32 H new ATOM 0 HB2 TYR A 50 19.102 1.198 -25.126 1.00 33.12 H new ATOM 0 HB3 TYR A 50 19.351 0.224 -26.561 1.00 33.12 H new ATOM 0 HD1 TYR A 50 17.543 -1.935 -26.532 1.00 5.14 H new ATOM 0 HD2 TYR A 50 16.901 1.954 -24.906 1.00 4.42 H new ATOM 0 HE1 TYR A 50 15.117 -2.233 -26.775 1.00 75.21 H new ATOM 0 HE2 TYR A 50 14.477 1.660 -25.163 1.00 72.34 H new ATOM 0 HH TYR A 50 13.062 -1.412 -26.061 1.00 24.11 H new ATOM 799 N GLU A 51 21.874 0.071 -24.490 1.00 64.04 N ATOM 800 CA GLU A 51 23.337 0.087 -24.635 1.00 44.43 C ATOM 801 C GLU A 51 23.945 -1.241 -24.150 1.00 11.53 C ATOM 802 O GLU A 51 24.843 -1.800 -24.786 1.00 72.44 O ATOM 803 CB GLU A 51 23.952 1.245 -23.831 1.00 33.14 C ATOM 804 CG GLU A 51 23.452 2.639 -24.216 1.00 60.24 C ATOM 805 CD GLU A 51 24.115 3.750 -23.402 1.00 74.20 C ATOM 806 OE1 GLU A 51 24.663 3.459 -22.313 1.00 43.13 O ATOM 807 OE2 GLU A 51 24.102 4.918 -23.841 1.00 54.42 O ATOM 0 H GLU A 51 21.500 0.835 -23.927 1.00 64.04 H new ATOM 0 HA GLU A 51 23.563 0.224 -25.693 1.00 44.43 H new ATOM 0 HB2 GLU A 51 23.747 1.082 -22.773 1.00 33.14 H new ATOM 0 HB3 GLU A 51 25.035 1.217 -23.954 1.00 33.14 H new ATOM 0 HG2 GLU A 51 23.642 2.808 -25.276 1.00 60.24 H new ATOM 0 HG3 GLU A 51 22.372 2.685 -24.074 1.00 60.24 H new ATOM 814 N ARG A 52 23.439 -1.740 -23.022 1.00 51.31 N ATOM 815 CA ARG A 52 23.885 -3.021 -22.455 1.00 12.14 C ATOM 816 C ARG A 52 23.563 -4.191 -23.407 1.00 4.20 C ATOM 817 O ARG A 52 24.199 -5.246 -23.359 1.00 23.10 O ATOM 818 CB ARG A 52 23.217 -3.239 -21.085 1.00 31.31 C ATOM 819 CG ARG A 52 23.784 -4.409 -20.281 1.00 25.22 C ATOM 820 CD ARG A 52 23.096 -4.545 -18.924 1.00 54.54 C ATOM 821 NE ARG A 52 23.165 -3.308 -18.143 1.00 42.21 N ATOM 822 CZ ARG A 52 22.501 -3.090 -17.037 1.00 34.41 C ATOM 823 NH1 ARG A 52 21.766 -4.016 -16.509 1.00 12.22 N ATOM 824 NH2 ARG A 52 22.593 -1.943 -16.445 1.00 31.04 N ATOM 0 H ARG A 52 22.714 -1.275 -22.476 1.00 51.31 H new ATOM 0 HA ARG A 52 24.967 -2.988 -22.326 1.00 12.14 H new ATOM 0 HB2 ARG A 52 23.319 -2.327 -20.496 1.00 31.31 H new ATOM 0 HB3 ARG A 52 22.150 -3.403 -21.237 1.00 31.31 H new ATOM 0 HG2 ARG A 52 23.661 -5.333 -20.846 1.00 25.22 H new ATOM 0 HG3 ARG A 52 24.854 -4.265 -20.134 1.00 25.22 H new ATOM 0 HD2 ARG A 52 22.052 -4.821 -19.074 1.00 54.54 H new ATOM 0 HD3 ARG A 52 23.562 -5.354 -18.362 1.00 54.54 H new ATOM 0 HE ARG A 52 23.773 -2.564 -18.485 1.00 42.21 H new ATOM 0 HH11 ARG A 52 21.699 -4.931 -16.956 1.00 12.22 H new ATOM 0 HH12 ARG A 52 21.254 -3.831 -15.646 1.00 12.22 H new ATOM 0 HH21 ARG A 52 23.182 -1.211 -16.841 1.00 31.04 H new ATOM 0 HH22 ARG A 52 22.076 -1.771 -15.583 1.00 31.04 H new ATOM 838 N LEU A 53 22.562 -3.991 -24.265 1.00 45.32 N ATOM 839 CA LEU A 53 22.197 -4.971 -25.301 1.00 22.31 C ATOM 840 C LEU A 53 22.843 -4.615 -26.656 1.00 42.42 C ATOM 841 O LEU A 53 22.477 -5.170 -27.693 1.00 70.31 O ATOM 842 CB LEU A 53 20.667 -5.023 -25.457 1.00 34.25 C ATOM 843 CG LEU A 53 19.872 -5.308 -24.170 1.00 2.24 C ATOM 844 CD1 LEU A 53 18.372 -5.239 -24.440 1.00 10.31 C ATOM 845 CD2 LEU A 53 20.248 -6.668 -23.588 1.00 74.14 C ATOM 0 H LEU A 53 21.982 -3.152 -24.266 1.00 45.32 H new ATOM 0 HA LEU A 53 22.568 -5.947 -24.989 1.00 22.31 H new ATOM 0 HB2 LEU A 53 20.330 -4.071 -25.867 1.00 34.25 H new ATOM 0 HB3 LEU A 53 20.421 -5.791 -26.191 1.00 34.25 H new ATOM 0 HG LEU A 53 20.127 -4.542 -23.438 1.00 2.24 H new ATOM 0 HD11 LEU A 53 17.827 -5.443 -23.519 1.00 10.31 H new ATOM 0 HD12 LEU A 53 18.113 -4.244 -24.802 1.00 10.31 H new ATOM 0 HD13 LEU A 53 18.103 -5.980 -25.193 1.00 10.31 H new ATOM 0 HD21 LEU A 53 19.673 -6.846 -22.679 1.00 74.14 H new ATOM 0 HD22 LEU A 53 20.028 -7.449 -24.316 1.00 74.14 H new ATOM 0 HD23 LEU A 53 21.312 -6.681 -23.353 1.00 74.14 H new ATOM 857 N ASP A 54 23.790 -3.667 -26.636 1.00 13.10 N ATOM 858 CA ASP A 54 24.487 -3.190 -27.848 1.00 42.12 C ATOM 859 C ASP A 54 23.531 -2.436 -28.804 1.00 74.41 C ATOM 860 O ASP A 54 23.926 -1.998 -29.887 1.00 3.43 O ATOM 861 CB ASP A 54 25.175 -4.366 -28.567 1.00 2.53 C ATOM 862 CG ASP A 54 26.170 -3.919 -29.629 1.00 64.01 C ATOM 863 OD1 ASP A 54 27.305 -3.550 -29.267 1.00 21.33 O ATOM 864 OD2 ASP A 54 25.829 -3.942 -30.830 1.00 35.43 O ATOM 0 H ASP A 54 24.098 -3.206 -25.780 1.00 13.10 H new ATOM 0 HA ASP A 54 25.251 -2.478 -27.535 1.00 42.12 H new ATOM 0 HB2 ASP A 54 25.691 -4.982 -27.831 1.00 2.53 H new ATOM 0 HB3 ASP A 54 24.415 -4.994 -29.032 1.00 2.53 H new ATOM 869 N ARG A 55 22.279 -2.261 -28.389 1.00 23.11 N ATOM 870 CA ARG A 55 21.273 -1.584 -29.213 1.00 41.10 C ATOM 871 C ARG A 55 21.451 -0.055 -29.163 1.00 52.41 C ATOM 872 O ARG A 55 20.677 0.654 -28.514 1.00 2.34 O ATOM 873 CB ARG A 55 19.862 -1.970 -28.743 1.00 53.24 C ATOM 874 CG ARG A 55 19.589 -3.474 -28.744 1.00 4.32 C ATOM 875 CD ARG A 55 19.674 -4.077 -30.144 1.00 52.03 C ATOM 876 NE ARG A 55 18.778 -3.402 -31.081 1.00 31.11 N ATOM 877 CZ ARG A 55 18.056 -4.006 -31.985 1.00 34.01 C ATOM 878 NH1 ARG A 55 18.093 -5.293 -32.112 1.00 31.22 N ATOM 879 NH2 ARG A 55 17.289 -3.304 -32.754 1.00 23.41 N ATOM 0 H ARG A 55 21.933 -2.579 -27.484 1.00 23.11 H new ATOM 0 HA ARG A 55 21.407 -1.905 -30.246 1.00 41.10 H new ATOM 0 HB2 ARG A 55 19.710 -1.585 -27.735 1.00 53.24 H new ATOM 0 HB3 ARG A 55 19.131 -1.479 -29.385 1.00 53.24 H new ATOM 0 HG2 ARG A 55 20.307 -3.972 -28.092 1.00 4.32 H new ATOM 0 HG3 ARG A 55 18.599 -3.662 -28.329 1.00 4.32 H new ATOM 0 HD2 ARG A 55 20.699 -4.008 -30.508 1.00 52.03 H new ATOM 0 HD3 ARG A 55 19.422 -5.137 -30.099 1.00 52.03 H new ATOM 0 HE ARG A 55 18.712 -2.386 -31.024 1.00 31.11 H new ATOM 0 HH11 ARG A 55 18.692 -5.849 -31.501 1.00 31.22 H new ATOM 0 HH12 ARG A 55 17.523 -5.752 -32.823 1.00 31.22 H new ATOM 0 HH21 ARG A 55 17.253 -2.290 -32.650 1.00 23.41 H new ATOM 0 HH22 ARG A 55 16.720 -3.764 -33.464 1.00 23.41 H new ATOM 893 N THR A 56 22.480 0.442 -29.847 1.00 72.43 N ATOM 894 CA THR A 56 22.821 1.874 -29.815 1.00 25.14 C ATOM 895 C THR A 56 21.689 2.756 -30.369 1.00 13.02 C ATOM 896 O THR A 56 21.228 3.678 -29.697 1.00 70.05 O ATOM 897 CB THR A 56 24.118 2.162 -30.618 1.00 50.15 C ATOM 898 OG1 THR A 56 25.218 1.411 -30.076 1.00 43.34 O ATOM 899 CG2 THR A 56 24.465 3.648 -30.608 1.00 64.13 C ATOM 0 H THR A 56 23.096 -0.122 -30.432 1.00 72.43 H new ATOM 0 HA THR A 56 22.975 2.123 -28.765 1.00 25.14 H new ATOM 0 HB THR A 56 23.938 1.858 -31.649 1.00 50.15 H new ATOM 0 HG1 THR A 56 26.029 1.600 -30.592 1.00 43.34 H new ATOM 0 HG21 THR A 56 25.378 3.812 -31.180 1.00 64.13 H new ATOM 0 HG22 THR A 56 23.649 4.215 -31.057 1.00 64.13 H new ATOM 0 HG23 THR A 56 24.615 3.980 -29.581 1.00 64.13 H new ATOM 907 N ASP A 57 21.228 2.451 -31.583 1.00 71.25 N ATOM 908 CA ASP A 57 20.167 3.233 -32.235 1.00 41.10 C ATOM 909 C ASP A 57 18.875 3.254 -31.399 1.00 13.42 C ATOM 910 O ASP A 57 18.309 4.318 -31.137 1.00 43.01 O ATOM 911 CB ASP A 57 19.888 2.676 -33.640 1.00 21.14 C ATOM 912 CG ASP A 57 21.034 2.921 -34.614 1.00 71.55 C ATOM 913 OD1 ASP A 57 22.197 3.015 -34.171 1.00 54.04 O ATOM 914 OD2 ASP A 57 20.774 3.036 -35.834 1.00 72.44 O ATOM 0 H ASP A 57 21.571 1.667 -32.138 1.00 71.25 H new ATOM 0 HA ASP A 57 20.517 4.262 -32.320 1.00 41.10 H new ATOM 0 HB2 ASP A 57 19.700 1.605 -33.570 1.00 21.14 H new ATOM 0 HB3 ASP A 57 18.980 3.133 -34.033 1.00 21.14 H new ATOM 919 N ASP A 58 18.425 2.074 -30.974 1.00 44.35 N ATOM 920 CA ASP A 58 17.210 1.941 -30.160 1.00 52.23 C ATOM 921 C ASP A 58 17.280 2.814 -28.895 1.00 62.11 C ATOM 922 O ASP A 58 16.292 3.441 -28.499 1.00 34.03 O ATOM 923 CB ASP A 58 17.010 0.473 -29.774 1.00 51.44 C ATOM 924 CG ASP A 58 17.010 -0.438 -30.987 1.00 20.21 C ATOM 925 OD1 ASP A 58 18.097 -0.687 -31.541 1.00 64.42 O ATOM 926 OD2 ASP A 58 15.926 -0.901 -31.401 1.00 51.11 O ATOM 0 H ASP A 58 18.886 1.188 -31.180 1.00 44.35 H new ATOM 0 HA ASP A 58 16.363 2.284 -30.754 1.00 52.23 H new ATOM 0 HB2 ASP A 58 17.802 0.167 -29.090 1.00 51.44 H new ATOM 0 HB3 ASP A 58 16.067 0.364 -29.239 1.00 51.44 H new ATOM 931 N ALA A 59 18.454 2.845 -28.263 1.00 73.12 N ATOM 932 CA ALA A 59 18.689 3.704 -27.098 1.00 42.10 C ATOM 933 C ALA A 59 18.524 5.185 -27.465 1.00 10.45 C ATOM 934 O ALA A 59 17.866 5.945 -26.755 1.00 23.13 O ATOM 935 CB ALA A 59 20.082 3.449 -26.524 1.00 73.12 C ATOM 0 H ALA A 59 19.260 2.284 -28.538 1.00 73.12 H new ATOM 0 HA ALA A 59 17.946 3.459 -26.339 1.00 42.10 H new ATOM 0 HB1 ALA A 59 20.243 4.093 -25.660 1.00 73.12 H new ATOM 0 HB2 ALA A 59 20.165 2.406 -26.219 1.00 73.12 H new ATOM 0 HB3 ALA A 59 20.834 3.666 -27.283 1.00 73.12 H new ATOM 941 N ILE A 60 19.109 5.572 -28.594 1.00 35.30 N ATOM 942 CA ILE A 60 19.065 6.959 -29.073 1.00 41.22 C ATOM 943 C ILE A 60 17.625 7.431 -29.358 1.00 3.14 C ATOM 944 O ILE A 60 17.256 8.559 -29.017 1.00 52.54 O ATOM 945 CB ILE A 60 19.932 7.118 -30.347 1.00 61.21 C ATOM 946 CG1 ILE A 60 21.378 6.692 -30.052 1.00 73.15 C ATOM 947 CG2 ILE A 60 19.895 8.556 -30.860 1.00 32.43 C ATOM 948 CD1 ILE A 60 22.242 6.581 -31.284 1.00 32.53 C ATOM 0 H ILE A 60 19.626 4.940 -29.204 1.00 35.30 H new ATOM 0 HA ILE A 60 19.467 7.586 -28.277 1.00 41.22 H new ATOM 0 HB ILE A 60 19.522 6.474 -31.125 1.00 61.21 H new ATOM 0 HG12 ILE A 60 21.827 7.412 -29.368 1.00 73.15 H new ATOM 0 HG13 ILE A 60 21.366 5.730 -29.539 1.00 73.15 H new ATOM 0 HG21 ILE A 60 20.512 8.639 -31.755 1.00 32.43 H new ATOM 0 HG22 ILE A 60 18.868 8.830 -31.101 1.00 32.43 H new ATOM 0 HG23 ILE A 60 20.279 9.227 -30.091 1.00 32.43 H new ATOM 0 HD11 ILE A 60 23.248 6.276 -30.996 1.00 32.53 H new ATOM 0 HD12 ILE A 60 21.818 5.839 -31.960 1.00 32.53 H new ATOM 0 HD13 ILE A 60 22.285 7.547 -31.786 1.00 32.53 H new ATOM 960 N ASP A 61 16.817 6.575 -29.988 1.00 70.10 N ATOM 961 CA ASP A 61 15.393 6.875 -30.206 1.00 73.41 C ATOM 962 C ASP A 61 14.643 7.017 -28.872 1.00 2.00 C ATOM 963 O ASP A 61 13.736 7.847 -28.736 1.00 72.51 O ATOM 964 CB ASP A 61 14.740 5.787 -31.068 1.00 61.51 C ATOM 965 CG ASP A 61 15.202 5.847 -32.513 1.00 74.12 C ATOM 966 OD1 ASP A 61 14.810 6.797 -33.225 1.00 33.21 O ATOM 967 OD2 ASP A 61 15.966 4.959 -32.943 1.00 63.11 O ATOM 0 H ASP A 61 17.119 5.673 -30.356 1.00 70.10 H new ATOM 0 HA ASP A 61 15.330 7.827 -30.733 1.00 73.41 H new ATOM 0 HB2 ASP A 61 14.976 4.807 -30.653 1.00 61.51 H new ATOM 0 HB3 ASP A 61 13.656 5.897 -31.030 1.00 61.51 H new ATOM 972 N THR A 62 15.028 6.203 -27.891 1.00 14.22 N ATOM 973 CA THR A 62 14.470 6.297 -26.535 1.00 60.13 C ATOM 974 C THR A 62 14.824 7.647 -25.898 1.00 34.34 C ATOM 975 O THR A 62 13.962 8.333 -25.344 1.00 73.41 O ATOM 976 CB THR A 62 14.988 5.155 -25.624 1.00 22.31 C ATOM 977 OG1 THR A 62 14.671 3.884 -26.208 1.00 31.52 O ATOM 978 CG2 THR A 62 14.380 5.234 -24.226 1.00 72.34 C ATOM 0 H THR A 62 15.726 5.468 -28.006 1.00 14.22 H new ATOM 0 HA THR A 62 13.388 6.206 -26.627 1.00 60.13 H new ATOM 0 HB THR A 62 16.069 5.266 -25.534 1.00 22.31 H new ATOM 0 HG1 THR A 62 15.232 3.738 -26.998 1.00 31.52 H new ATOM 0 HG21 THR A 62 14.766 4.418 -23.615 1.00 72.34 H new ATOM 0 HG22 THR A 62 14.644 6.187 -23.768 1.00 72.34 H new ATOM 0 HG23 THR A 62 13.295 5.154 -24.296 1.00 72.34 H new ATOM 986 N TYR A 63 16.099 8.030 -25.994 1.00 63.45 N ATOM 987 CA TYR A 63 16.554 9.330 -25.490 1.00 22.03 C ATOM 988 C TYR A 63 15.840 10.486 -26.211 1.00 2.13 C ATOM 989 O TYR A 63 15.449 11.463 -25.585 1.00 64.41 O ATOM 990 CB TYR A 63 18.076 9.492 -25.662 1.00 64.11 C ATOM 991 CG TYR A 63 18.916 8.455 -24.934 1.00 61.14 C ATOM 992 CD1 TYR A 63 18.681 8.147 -23.598 1.00 52.51 C ATOM 993 CD2 TYR A 63 19.948 7.787 -25.587 1.00 10.02 C ATOM 994 CE1 TYR A 63 19.449 7.205 -22.939 1.00 62.31 C ATOM 995 CE2 TYR A 63 20.717 6.845 -24.935 1.00 51.33 C ATOM 996 CZ TYR A 63 20.464 6.557 -23.614 1.00 21.32 C ATOM 997 OH TYR A 63 21.231 5.618 -22.961 1.00 40.42 O ATOM 0 H TYR A 63 16.834 7.461 -26.415 1.00 63.45 H new ATOM 0 HA TYR A 63 16.308 9.364 -24.429 1.00 22.03 H new ATOM 0 HB2 TYR A 63 18.313 9.450 -26.725 1.00 64.11 H new ATOM 0 HB3 TYR A 63 18.363 10.483 -25.311 1.00 64.11 H new ATOM 0 HD1 TYR A 63 17.887 8.651 -23.068 1.00 52.51 H new ATOM 0 HD2 TYR A 63 20.151 8.010 -26.624 1.00 10.02 H new ATOM 0 HE1 TYR A 63 19.256 6.977 -21.901 1.00 62.31 H new ATOM 0 HE2 TYR A 63 21.513 6.337 -25.459 1.00 51.33 H new ATOM 0 HH TYR A 63 22.099 5.536 -23.409 1.00 40.42 H new ATOM 1007 N ALA A 64 15.675 10.359 -27.531 1.00 24.22 N ATOM 1008 CA ALA A 64 15.047 11.409 -28.353 1.00 74.53 C ATOM 1009 C ALA A 64 13.634 11.764 -27.865 1.00 14.05 C ATOM 1010 O ALA A 64 13.339 12.922 -27.563 1.00 62.44 O ATOM 1011 CB ALA A 64 14.997 10.972 -29.811 1.00 71.03 C ATOM 0 H ALA A 64 15.968 9.537 -28.059 1.00 24.22 H new ATOM 0 HA ALA A 64 15.661 12.305 -28.257 1.00 74.53 H new ATOM 0 HB1 ALA A 64 14.531 11.755 -30.410 1.00 71.03 H new ATOM 0 HB2 ALA A 64 16.010 10.793 -30.172 1.00 71.03 H new ATOM 0 HB3 ALA A 64 14.414 10.055 -29.896 1.00 71.03 H new ATOM 1017 N GLN A 65 12.763 10.758 -27.791 1.00 55.32 N ATOM 1018 CA GLN A 65 11.389 10.960 -27.316 1.00 64.23 C ATOM 1019 C GLN A 65 11.409 11.465 -25.862 1.00 31.41 C ATOM 1020 O GLN A 65 10.595 12.304 -25.460 1.00 64.32 O ATOM 1021 CB GLN A 65 10.594 9.644 -27.437 1.00 74.35 C ATOM 1022 CG GLN A 65 9.089 9.829 -27.659 1.00 41.11 C ATOM 1023 CD GLN A 65 8.333 10.317 -26.431 1.00 53.12 C ATOM 1024 OE1 GLN A 65 7.358 11.051 -26.538 1.00 41.44 O ATOM 1025 NE2 GLN A 65 8.746 9.885 -25.261 1.00 52.31 N ATOM 0 H GLN A 65 12.981 9.796 -28.052 1.00 55.32 H new ATOM 0 HA GLN A 65 10.897 11.713 -27.932 1.00 64.23 H new ATOM 0 HB2 GLN A 65 11.002 9.063 -28.264 1.00 74.35 H new ATOM 0 HB3 GLN A 65 10.745 9.058 -26.530 1.00 74.35 H new ATOM 0 HG2 GLN A 65 8.938 10.540 -28.471 1.00 41.11 H new ATOM 0 HG3 GLN A 65 8.661 8.880 -27.982 1.00 41.11 H new ATOM 0 HE21 GLN A 65 9.561 9.275 -25.201 1.00 52.31 H new ATOM 0 HE22 GLN A 65 8.252 10.160 -24.412 1.00 52.31 H new ATOM 1034 N GLY A 66 12.367 10.954 -25.086 1.00 40.42 N ATOM 1035 CA GLY A 66 12.571 11.432 -23.727 1.00 63.44 C ATOM 1036 C GLY A 66 12.974 12.903 -23.675 1.00 1.45 C ATOM 1037 O GLY A 66 12.545 13.634 -22.789 1.00 30.23 O ATOM 0 H GLY A 66 13.007 10.215 -25.377 1.00 40.42 H new ATOM 0 HA2 GLY A 66 11.654 11.290 -23.155 1.00 63.44 H new ATOM 0 HA3 GLY A 66 13.343 10.831 -23.247 1.00 63.44 H new ATOM 1041 N ILE A 67 13.799 13.334 -24.630 1.00 33.15 N ATOM 1042 CA ILE A 67 14.233 14.734 -24.722 1.00 33.42 C ATOM 1043 C ILE A 67 13.029 15.675 -24.824 1.00 53.34 C ATOM 1044 O ILE A 67 12.960 16.684 -24.120 1.00 24.50 O ATOM 1045 CB ILE A 67 15.177 14.954 -25.942 1.00 70.51 C ATOM 1046 CG1 ILE A 67 16.565 14.349 -25.660 1.00 42.51 C ATOM 1047 CG2 ILE A 67 15.298 16.437 -26.309 1.00 64.15 C ATOM 1048 CD1 ILE A 67 17.539 14.483 -26.813 1.00 60.35 C ATOM 0 H ILE A 67 14.184 12.731 -25.357 1.00 33.15 H new ATOM 0 HA ILE A 67 14.784 14.963 -23.810 1.00 33.42 H new ATOM 0 HB ILE A 67 14.736 14.443 -26.798 1.00 70.51 H new ATOM 0 HG12 ILE A 67 16.990 14.833 -24.780 1.00 42.51 H new ATOM 0 HG13 ILE A 67 16.448 13.293 -25.417 1.00 42.51 H new ATOM 0 HG21 ILE A 67 15.965 16.547 -27.164 1.00 64.15 H new ATOM 0 HG22 ILE A 67 14.314 16.830 -26.563 1.00 64.15 H new ATOM 0 HG23 ILE A 67 15.702 16.990 -25.461 1.00 64.15 H new ATOM 0 HD11 ILE A 67 18.493 14.033 -26.538 1.00 60.35 H new ATOM 0 HD12 ILE A 67 17.138 13.974 -27.689 1.00 60.35 H new ATOM 0 HD13 ILE A 67 17.688 15.538 -27.043 1.00 60.35 H new ATOM 1060 N GLU A 68 12.077 15.324 -25.688 1.00 65.25 N ATOM 1061 CA GLU A 68 10.869 16.134 -25.888 1.00 23.34 C ATOM 1062 C GLU A 68 10.095 16.330 -24.573 1.00 25.01 C ATOM 1063 O GLU A 68 9.764 17.459 -24.193 1.00 22.43 O ATOM 1064 CB GLU A 68 9.963 15.482 -26.941 1.00 64.34 C ATOM 1065 CG GLU A 68 10.670 15.187 -28.262 1.00 51.24 C ATOM 1066 CD GLU A 68 9.715 14.707 -29.344 1.00 24.25 C ATOM 1067 OE1 GLU A 68 9.279 13.539 -29.282 1.00 2.34 O ATOM 1068 OE2 GLU A 68 9.392 15.498 -30.258 1.00 22.05 O ATOM 0 H GLU A 68 12.116 14.483 -26.263 1.00 65.25 H new ATOM 0 HA GLU A 68 11.182 17.117 -26.241 1.00 23.34 H new ATOM 0 HB2 GLU A 68 9.563 14.552 -26.537 1.00 64.34 H new ATOM 0 HB3 GLU A 68 9.113 16.137 -27.132 1.00 64.34 H new ATOM 0 HG2 GLU A 68 11.179 16.087 -28.606 1.00 51.24 H new ATOM 0 HG3 GLU A 68 11.437 14.430 -28.098 1.00 51.24 H new ATOM 1075 N VAL A 69 9.813 15.232 -23.872 1.00 23.14 N ATOM 1076 CA VAL A 69 9.082 15.301 -22.597 1.00 14.23 C ATOM 1077 C VAL A 69 9.953 15.882 -21.465 1.00 1.53 C ATOM 1078 O VAL A 69 9.446 16.531 -20.551 1.00 20.45 O ATOM 1079 CB VAL A 69 8.526 13.912 -22.172 1.00 55.23 C ATOM 1080 CG1 VAL A 69 7.572 13.369 -23.234 1.00 73.34 C ATOM 1081 CG2 VAL A 69 9.659 12.923 -21.899 1.00 62.22 C ATOM 0 H VAL A 69 10.075 14.289 -24.158 1.00 23.14 H new ATOM 0 HA VAL A 69 8.241 15.974 -22.765 1.00 14.23 H new ATOM 0 HB VAL A 69 7.969 14.041 -21.244 1.00 55.23 H new ATOM 0 HG11 VAL A 69 7.193 12.397 -22.920 1.00 73.34 H new ATOM 0 HG12 VAL A 69 6.738 14.060 -23.361 1.00 73.34 H new ATOM 0 HG13 VAL A 69 8.103 13.263 -24.180 1.00 73.34 H new ATOM 0 HG21 VAL A 69 9.239 11.961 -21.604 1.00 62.22 H new ATOM 0 HG22 VAL A 69 10.257 12.797 -22.802 1.00 62.22 H new ATOM 0 HG23 VAL A 69 10.290 13.305 -21.096 1.00 62.22 H new ATOM 1091 N ALA A 70 11.265 15.669 -21.542 1.00 20.12 N ATOM 1092 CA ALA A 70 12.197 16.172 -20.521 1.00 43.50 C ATOM 1093 C ALA A 70 12.253 17.706 -20.511 1.00 50.12 C ATOM 1094 O ALA A 70 12.100 18.334 -19.467 1.00 42.55 O ATOM 1095 CB ALA A 70 13.594 15.601 -20.749 1.00 63.14 C ATOM 0 H ALA A 70 11.712 15.152 -22.299 1.00 20.12 H new ATOM 0 HA ALA A 70 11.828 15.843 -19.550 1.00 43.50 H new ATOM 0 HB1 ALA A 70 14.272 15.983 -19.986 1.00 63.14 H new ATOM 0 HB2 ALA A 70 13.557 14.513 -20.690 1.00 63.14 H new ATOM 0 HB3 ALA A 70 13.952 15.899 -21.734 1.00 63.14 H new ATOM 1101 N ARG A 71 12.467 18.299 -21.683 1.00 33.21 N ATOM 1102 CA ARG A 71 12.587 19.759 -21.808 1.00 51.52 C ATOM 1103 C ARG A 71 11.275 20.489 -21.462 1.00 35.44 C ATOM 1104 O ARG A 71 11.288 21.514 -20.775 1.00 50.33 O ATOM 1105 CB ARG A 71 13.030 20.126 -23.232 1.00 74.44 C ATOM 1106 CG ARG A 71 12.100 19.585 -24.316 1.00 2.04 C ATOM 1107 CD ARG A 71 12.591 19.908 -25.722 1.00 51.40 C ATOM 1108 NE ARG A 71 12.614 21.342 -25.984 1.00 65.32 N ATOM 1109 CZ ARG A 71 12.914 21.869 -27.140 1.00 60.30 C ATOM 1110 NH1 ARG A 71 13.136 21.119 -28.175 1.00 15.24 N ATOM 1111 NH2 ARG A 71 12.961 23.150 -27.261 1.00 31.01 N ATOM 0 H ARG A 71 12.562 17.794 -22.564 1.00 33.21 H new ATOM 0 HA ARG A 71 13.338 20.085 -21.089 1.00 51.52 H new ATOM 0 HB2 ARG A 71 13.084 21.211 -23.319 1.00 74.44 H new ATOM 0 HB3 ARG A 71 14.036 19.742 -23.402 1.00 74.44 H new ATOM 0 HG2 ARG A 71 12.009 18.504 -24.206 1.00 2.04 H new ATOM 0 HG3 ARG A 71 11.103 20.004 -24.178 1.00 2.04 H new ATOM 0 HD2 ARG A 71 13.593 19.500 -25.857 1.00 51.40 H new ATOM 0 HD3 ARG A 71 11.946 19.418 -26.451 1.00 51.40 H new ATOM 0 HE ARG A 71 12.381 21.972 -25.217 1.00 65.32 H new ATOM 0 HH11 ARG A 71 13.077 20.104 -28.091 1.00 15.24 H new ATOM 0 HH12 ARG A 71 13.369 21.544 -29.072 1.00 15.24 H new ATOM 0 HH21 ARG A 71 12.765 23.746 -26.457 1.00 31.01 H new ATOM 0 HH22 ARG A 71 13.195 23.569 -28.161 1.00 31.01 H new ATOM 1125 N GLU A 72 10.146 19.964 -21.942 1.00 0.24 N ATOM 1126 CA GLU A 72 8.849 20.634 -21.767 1.00 23.22 C ATOM 1127 C GLU A 72 8.167 20.256 -20.439 1.00 12.14 C ATOM 1128 O GLU A 72 7.756 21.130 -19.674 1.00 15.41 O ATOM 1129 CB GLU A 72 7.924 20.315 -22.952 1.00 34.41 C ATOM 1130 CG GLU A 72 8.509 20.684 -24.315 1.00 74.20 C ATOM 1131 CD GLU A 72 8.968 22.134 -24.392 1.00 34.11 C ATOM 1132 OE1 GLU A 72 8.102 23.031 -24.460 1.00 33.54 O ATOM 1133 OE2 GLU A 72 10.191 22.387 -24.389 1.00 51.11 O ATOM 0 H GLU A 72 10.100 19.082 -22.453 1.00 0.24 H new ATOM 0 HA GLU A 72 9.041 21.706 -21.734 1.00 23.22 H new ATOM 0 HB2 GLU A 72 7.694 19.250 -22.943 1.00 34.41 H new ATOM 0 HB3 GLU A 72 6.982 20.846 -22.817 1.00 34.41 H new ATOM 0 HG2 GLU A 72 9.353 20.029 -24.531 1.00 74.20 H new ATOM 0 HG3 GLU A 72 7.760 20.504 -25.086 1.00 74.20 H new ATOM 1140 N GLU A 73 8.045 18.958 -20.161 1.00 1.14 N ATOM 1141 CA GLU A 73 7.386 18.498 -18.929 1.00 34.33 C ATOM 1142 C GLU A 73 8.323 18.612 -17.718 1.00 71.13 C ATOM 1143 O GLU A 73 8.009 19.289 -16.737 1.00 41.24 O ATOM 1144 CB GLU A 73 6.905 17.045 -19.075 1.00 2.32 C ATOM 1145 CG GLU A 73 5.957 16.813 -20.247 1.00 20.34 C ATOM 1146 CD GLU A 73 4.725 17.705 -20.199 1.00 24.21 C ATOM 1147 OE1 GLU A 73 3.888 17.528 -19.286 1.00 13.33 O ATOM 1148 OE2 GLU A 73 4.581 18.581 -21.076 1.00 32.21 O ATOM 0 H GLU A 73 8.389 18.209 -20.763 1.00 1.14 H new ATOM 0 HA GLU A 73 6.524 19.144 -18.763 1.00 34.33 H new ATOM 0 HB2 GLU A 73 7.774 16.397 -19.192 1.00 2.32 H new ATOM 0 HB3 GLU A 73 6.405 16.746 -18.154 1.00 2.32 H new ATOM 0 HG2 GLU A 73 6.491 16.990 -21.180 1.00 20.34 H new ATOM 0 HG3 GLU A 73 5.643 15.769 -20.253 1.00 20.34 H new ATOM 1155 N GLY A 74 9.475 17.949 -17.796 1.00 23.24 N ATOM 1156 CA GLY A 74 10.434 17.970 -16.694 1.00 23.52 C ATOM 1157 C GLY A 74 11.224 19.276 -16.602 1.00 1.25 C ATOM 1158 O GLY A 74 10.679 20.319 -16.230 1.00 4.15 O ATOM 0 H GLY A 74 9.765 17.396 -18.602 1.00 23.24 H new ATOM 0 HA2 GLY A 74 9.902 17.809 -15.756 1.00 23.52 H new ATOM 0 HA3 GLY A 74 11.131 17.140 -16.812 1.00 23.52 H new ATOM 1162 N THR A 75 12.509 19.223 -16.945 1.00 31.13 N ATOM 1163 CA THR A 75 13.381 20.403 -16.889 1.00 32.24 C ATOM 1164 C THR A 75 14.675 20.192 -17.690 1.00 22.12 C ATOM 1165 O THR A 75 14.916 19.115 -18.246 1.00 3.32 O ATOM 1166 CB THR A 75 13.748 20.776 -15.430 1.00 30.41 C ATOM 1167 OG1 THR A 75 14.593 21.936 -15.409 1.00 22.31 O ATOM 1168 CG2 THR A 75 14.453 19.620 -14.728 1.00 72.42 C ATOM 0 H THR A 75 12.975 18.374 -17.266 1.00 31.13 H new ATOM 0 HA THR A 75 12.815 21.221 -17.335 1.00 32.24 H new ATOM 0 HB THR A 75 12.821 20.993 -14.899 1.00 30.41 H new ATOM 0 HG1 THR A 75 14.816 22.162 -14.482 1.00 22.31 H new ATOM 0 HG21 THR A 75 14.699 19.910 -13.706 1.00 72.42 H new ATOM 0 HG22 THR A 75 13.796 18.750 -14.710 1.00 72.42 H new ATOM 0 HG23 THR A 75 15.369 19.372 -15.265 1.00 72.42 H new ATOM 1176 N GLN A 76 15.513 21.226 -17.734 1.00 3.42 N ATOM 1177 CA GLN A 76 16.778 21.177 -18.474 1.00 23.31 C ATOM 1178 C GLN A 76 17.743 20.126 -17.890 1.00 1.41 C ATOM 1179 O GLN A 76 18.610 19.612 -18.598 1.00 52.32 O ATOM 1180 CB GLN A 76 17.439 22.565 -18.475 1.00 72.33 C ATOM 1181 CG GLN A 76 18.777 22.619 -19.207 1.00 34.51 C ATOM 1182 CD GLN A 76 19.387 24.009 -19.207 1.00 3.12 C ATOM 1183 OE1 GLN A 76 20.116 24.379 -18.294 1.00 75.01 O ATOM 1184 NE2 GLN A 76 19.097 24.789 -20.230 1.00 73.51 N ATOM 0 H GLN A 76 15.339 22.114 -17.264 1.00 3.42 H new ATOM 0 HA GLN A 76 16.554 20.881 -19.499 1.00 23.31 H new ATOM 0 HB2 GLN A 76 16.757 23.280 -18.935 1.00 72.33 H new ATOM 0 HB3 GLN A 76 17.588 22.885 -17.444 1.00 72.33 H new ATOM 0 HG2 GLN A 76 19.471 21.922 -18.739 1.00 34.51 H new ATOM 0 HG3 GLN A 76 18.638 22.287 -20.236 1.00 34.51 H new ATOM 0 HE21 GLN A 76 18.487 24.449 -20.973 1.00 73.51 H new ATOM 0 HE22 GLN A 76 19.483 25.732 -20.278 1.00 73.51 H new ATOM 1193 N LYS A 77 17.584 19.801 -16.603 1.00 52.22 N ATOM 1194 CA LYS A 77 18.432 18.791 -15.951 1.00 43.35 C ATOM 1195 C LYS A 77 18.274 17.410 -16.614 1.00 62.24 C ATOM 1196 O LYS A 77 19.264 16.769 -16.980 1.00 13.44 O ATOM 1197 CB LYS A 77 18.098 18.691 -14.453 1.00 12.15 C ATOM 1198 CG LYS A 77 18.893 17.613 -13.721 1.00 53.35 C ATOM 1199 CD LYS A 77 18.558 17.564 -12.234 1.00 62.50 C ATOM 1200 CE LYS A 77 19.288 16.428 -11.520 1.00 3.21 C ATOM 1201 NZ LYS A 77 20.767 16.549 -11.633 1.00 21.10 N ATOM 0 H LYS A 77 16.881 20.218 -15.993 1.00 52.22 H new ATOM 0 HA LYS A 77 19.468 19.109 -16.067 1.00 43.35 H new ATOM 0 HB2 LYS A 77 18.289 19.655 -13.981 1.00 12.15 H new ATOM 0 HB3 LYS A 77 17.034 18.486 -14.339 1.00 12.15 H new ATOM 0 HG2 LYS A 77 18.686 16.642 -14.171 1.00 53.35 H new ATOM 0 HG3 LYS A 77 19.959 17.802 -13.846 1.00 53.35 H new ATOM 0 HD2 LYS A 77 18.825 18.514 -11.771 1.00 62.50 H new ATOM 0 HD3 LYS A 77 17.482 17.439 -12.109 1.00 62.50 H new ATOM 0 HE2 LYS A 77 19.005 16.422 -10.467 1.00 3.21 H new ATOM 0 HE3 LYS A 77 18.970 15.474 -11.940 1.00 3.21 H new ATOM 0 HZ1 LYS A 77 21.221 15.827 -11.037 1.00 21.10 H new ATOM 0 HZ2 LYS A 77 21.052 16.410 -12.623 1.00 21.10 H new ATOM 0 HZ3 LYS A 77 21.063 17.495 -11.317 1.00 21.10 H new ATOM 1215 N ASP A 78 17.028 16.964 -16.779 1.00 34.03 N ATOM 1216 CA ASP A 78 16.740 15.703 -17.469 1.00 5.34 C ATOM 1217 C ASP A 78 17.152 15.797 -18.945 1.00 72.55 C ATOM 1218 O ASP A 78 17.734 14.867 -19.509 1.00 41.54 O ATOM 1219 CB ASP A 78 15.248 15.377 -17.359 1.00 63.11 C ATOM 1220 CG ASP A 78 14.763 15.369 -15.921 1.00 24.44 C ATOM 1221 OD1 ASP A 78 14.503 16.461 -15.375 1.00 64.53 O ATOM 1222 OD2 ASP A 78 14.633 14.276 -15.329 1.00 24.52 O ATOM 0 H ASP A 78 16.200 17.457 -16.444 1.00 34.03 H new ATOM 0 HA ASP A 78 17.314 14.905 -16.997 1.00 5.34 H new ATOM 0 HB2 ASP A 78 14.676 16.109 -17.929 1.00 63.11 H new ATOM 0 HB3 ASP A 78 15.057 14.403 -17.810 1.00 63.11 H new ATOM 1227 N LEU A 79 16.848 16.944 -19.550 1.00 32.35 N ATOM 1228 CA LEU A 79 17.219 17.232 -20.938 1.00 10.20 C ATOM 1229 C LEU A 79 18.725 17.013 -21.181 1.00 52.54 C ATOM 1230 O LEU A 79 19.121 16.287 -22.097 1.00 54.31 O ATOM 1231 CB LEU A 79 16.841 18.685 -21.267 1.00 54.01 C ATOM 1232 CG LEU A 79 17.213 19.177 -22.674 1.00 64.42 C ATOM 1233 CD1 LEU A 79 16.456 18.391 -23.736 1.00 51.23 C ATOM 1234 CD2 LEU A 79 16.946 20.675 -22.810 1.00 1.24 C ATOM 0 H LEU A 79 16.338 17.700 -19.094 1.00 32.35 H new ATOM 0 HA LEU A 79 16.678 16.545 -21.589 1.00 10.20 H new ATOM 0 HB2 LEU A 79 15.765 18.797 -21.137 1.00 54.01 H new ATOM 0 HB3 LEU A 79 17.320 19.338 -20.537 1.00 54.01 H new ATOM 0 HG LEU A 79 18.279 19.009 -22.825 1.00 64.42 H new ATOM 0 HD11 LEU A 79 16.734 18.755 -24.725 1.00 51.23 H new ATOM 0 HD12 LEU A 79 16.708 17.334 -23.655 1.00 51.23 H new ATOM 0 HD13 LEU A 79 15.384 18.521 -23.590 1.00 51.23 H new ATOM 0 HD21 LEU A 79 17.216 21.003 -23.814 1.00 1.24 H new ATOM 0 HD22 LEU A 79 15.888 20.873 -22.636 1.00 1.24 H new ATOM 0 HD23 LEU A 79 17.543 21.219 -22.078 1.00 1.24 H new ATOM 1246 N SER A 80 19.553 17.631 -20.341 1.00 22.42 N ATOM 1247 CA SER A 80 21.013 17.552 -20.478 1.00 71.44 C ATOM 1248 C SER A 80 21.512 16.103 -20.392 1.00 43.11 C ATOM 1249 O SER A 80 22.345 15.677 -21.194 1.00 45.21 O ATOM 1250 CB SER A 80 21.694 18.400 -19.398 1.00 22.35 C ATOM 1251 OG SER A 80 23.105 18.415 -19.560 1.00 3.31 O ATOM 0 H SER A 80 19.239 18.196 -19.552 1.00 22.42 H new ATOM 0 HA SER A 80 21.272 17.941 -21.463 1.00 71.44 H new ATOM 0 HB2 SER A 80 21.311 19.420 -19.440 1.00 22.35 H new ATOM 0 HB3 SER A 80 21.444 18.006 -18.413 1.00 22.35 H new ATOM 0 HG SER A 80 23.509 18.965 -18.857 1.00 3.31 H new ATOM 1257 N GLU A 81 20.986 15.346 -19.428 1.00 65.23 N ATOM 1258 CA GLU A 81 21.355 13.932 -19.257 1.00 51.43 C ATOM 1259 C GLU A 81 21.045 13.100 -20.513 1.00 53.52 C ATOM 1260 O GLU A 81 21.885 12.333 -20.984 1.00 2.52 O ATOM 1261 CB GLU A 81 20.622 13.339 -18.044 1.00 32.02 C ATOM 1262 CG GLU A 81 21.142 13.834 -16.697 1.00 1.33 C ATOM 1263 CD GLU A 81 22.484 13.220 -16.323 1.00 74.40 C ATOM 1264 OE1 GLU A 81 23.531 13.692 -16.822 1.00 50.50 O ATOM 1265 OE2 GLU A 81 22.502 12.260 -15.522 1.00 11.33 O ATOM 0 H GLU A 81 20.302 15.685 -18.751 1.00 65.23 H new ATOM 0 HA GLU A 81 22.432 13.892 -19.091 1.00 51.43 H new ATOM 0 HB2 GLU A 81 19.561 13.578 -18.122 1.00 32.02 H new ATOM 0 HB3 GLU A 81 20.707 12.253 -18.077 1.00 32.02 H new ATOM 0 HG2 GLU A 81 21.239 14.919 -16.726 1.00 1.33 H new ATOM 0 HG3 GLU A 81 20.412 13.600 -15.922 1.00 1.33 H new ATOM 1272 N LEU A 82 19.839 13.256 -21.055 1.00 33.01 N ATOM 1273 CA LEU A 82 19.418 12.498 -22.243 1.00 3.33 C ATOM 1274 C LEU A 82 20.224 12.895 -23.495 1.00 54.43 C ATOM 1275 O LEU A 82 20.570 12.041 -24.316 1.00 33.22 O ATOM 1276 CB LEU A 82 17.917 12.692 -22.483 1.00 20.21 C ATOM 1277 CG LEU A 82 17.012 12.191 -21.343 1.00 71.20 C ATOM 1278 CD1 LEU A 82 15.555 12.542 -21.615 1.00 4.35 C ATOM 1279 CD2 LEU A 82 17.177 10.684 -21.144 1.00 31.25 C ATOM 0 H LEU A 82 19.133 13.898 -20.695 1.00 33.01 H new ATOM 0 HA LEU A 82 19.618 11.443 -22.054 1.00 3.33 H new ATOM 0 HB2 LEU A 82 17.723 13.753 -22.643 1.00 20.21 H new ATOM 0 HB3 LEU A 82 17.640 12.175 -23.402 1.00 20.21 H new ATOM 0 HG LEU A 82 17.316 12.692 -20.424 1.00 71.20 H new ATOM 0 HD11 LEU A 82 14.934 12.178 -20.796 1.00 4.35 H new ATOM 0 HD12 LEU A 82 15.450 13.624 -21.697 1.00 4.35 H new ATOM 0 HD13 LEU A 82 15.236 12.075 -22.547 1.00 4.35 H new ATOM 0 HD21 LEU A 82 16.529 10.351 -20.334 1.00 31.25 H new ATOM 0 HD22 LEU A 82 16.906 10.164 -22.063 1.00 31.25 H new ATOM 0 HD23 LEU A 82 18.214 10.461 -20.893 1.00 31.25 H new ATOM 1291 N GLN A 83 20.526 14.186 -23.633 1.00 31.32 N ATOM 1292 CA GLN A 83 21.388 14.669 -24.721 1.00 20.51 C ATOM 1293 C GLN A 83 22.797 14.064 -24.604 1.00 74.53 C ATOM 1294 O GLN A 83 23.349 13.539 -25.573 1.00 73.55 O ATOM 1295 CB GLN A 83 21.468 16.203 -24.693 1.00 61.31 C ATOM 1296 CG GLN A 83 20.142 16.895 -25.004 1.00 54.34 C ATOM 1297 CD GLN A 83 20.195 18.406 -24.822 1.00 62.10 C ATOM 1298 OE1 GLN A 83 19.523 19.151 -25.525 1.00 61.30 O ATOM 1299 NE2 GLN A 83 20.973 18.870 -23.860 1.00 23.43 N ATOM 0 H GLN A 83 20.189 14.918 -23.008 1.00 31.32 H new ATOM 0 HA GLN A 83 20.954 14.355 -25.670 1.00 20.51 H new ATOM 0 HB2 GLN A 83 21.811 16.522 -23.709 1.00 61.31 H new ATOM 0 HB3 GLN A 83 22.217 16.532 -25.414 1.00 61.31 H new ATOM 0 HG2 GLN A 83 19.854 16.669 -26.031 1.00 54.34 H new ATOM 0 HG3 GLN A 83 19.366 16.485 -24.358 1.00 54.34 H new ATOM 0 HE21 GLN A 83 21.521 18.224 -23.291 1.00 23.43 H new ATOM 0 HE22 GLN A 83 21.026 19.874 -23.686 1.00 23.43 H new ATOM 1308 N ASP A 84 23.363 14.138 -23.404 1.00 40.42 N ATOM 1309 CA ASP A 84 24.667 13.539 -23.106 1.00 65.51 C ATOM 1310 C ASP A 84 24.644 12.009 -23.314 1.00 42.11 C ATOM 1311 O ASP A 84 25.631 11.409 -23.757 1.00 24.42 O ATOM 1312 CB ASP A 84 25.048 13.897 -21.661 1.00 12.35 C ATOM 1313 CG ASP A 84 26.315 13.220 -21.176 1.00 53.21 C ATOM 1314 OD1 ASP A 84 27.407 13.538 -21.695 1.00 25.51 O ATOM 1315 OD2 ASP A 84 26.228 12.389 -20.246 1.00 21.20 O ATOM 0 H ASP A 84 22.935 14.613 -22.609 1.00 40.42 H new ATOM 0 HA ASP A 84 25.415 13.937 -23.792 1.00 65.51 H new ATOM 0 HB2 ASP A 84 25.173 14.977 -21.585 1.00 12.35 H new ATOM 0 HB3 ASP A 84 24.225 13.624 -21.000 1.00 12.35 H new ATOM 1320 N ALA A 85 23.499 11.395 -23.013 1.00 5.31 N ATOM 1321 CA ALA A 85 23.320 9.945 -23.151 1.00 51.13 C ATOM 1322 C ALA A 85 23.309 9.491 -24.624 1.00 22.11 C ATOM 1323 O ALA A 85 23.909 8.476 -24.972 1.00 41.14 O ATOM 1324 CB ALA A 85 22.040 9.506 -22.451 1.00 44.11 C ATOM 0 H ALA A 85 22.673 11.883 -22.668 1.00 5.31 H new ATOM 0 HA ALA A 85 24.176 9.466 -22.676 1.00 51.13 H new ATOM 0 HB1 ALA A 85 21.917 8.428 -22.560 1.00 44.11 H new ATOM 0 HB2 ALA A 85 22.099 9.760 -21.393 1.00 44.11 H new ATOM 0 HB3 ALA A 85 21.187 10.016 -22.899 1.00 44.11 H new ATOM 1330 N LYS A 86 22.617 10.230 -25.491 1.00 24.32 N ATOM 1331 CA LYS A 86 22.615 9.899 -26.925 1.00 52.22 C ATOM 1332 C LYS A 86 23.965 10.257 -27.568 1.00 51.23 C ATOM 1333 O LYS A 86 24.408 9.602 -28.511 1.00 70.35 O ATOM 1334 CB LYS A 86 21.464 10.603 -27.669 1.00 53.35 C ATOM 1335 CG LYS A 86 21.591 12.123 -27.748 1.00 41.22 C ATOM 1336 CD LYS A 86 20.408 12.757 -28.479 1.00 21.51 C ATOM 1337 CE LYS A 86 20.298 12.276 -29.925 1.00 43.02 C ATOM 1338 NZ LYS A 86 21.455 12.706 -30.754 1.00 52.24 N ATOM 0 H LYS A 86 22.060 11.046 -25.238 1.00 24.32 H new ATOM 0 HA LYS A 86 22.459 8.824 -27.011 1.00 52.22 H new ATOM 0 HB2 LYS A 86 21.406 10.204 -28.682 1.00 53.35 H new ATOM 0 HB3 LYS A 86 20.525 10.356 -27.174 1.00 53.35 H new ATOM 0 HG2 LYS A 86 21.658 12.534 -26.741 1.00 41.22 H new ATOM 0 HG3 LYS A 86 22.517 12.384 -28.261 1.00 41.22 H new ATOM 0 HD2 LYS A 86 19.486 12.520 -27.948 1.00 21.51 H new ATOM 0 HD3 LYS A 86 20.514 13.842 -28.466 1.00 21.51 H new ATOM 0 HE2 LYS A 86 20.228 11.188 -29.939 1.00 43.02 H new ATOM 0 HE3 LYS A 86 19.377 12.660 -30.364 1.00 43.02 H new ATOM 0 HZ1 LYS A 86 21.111 13.101 -31.652 1.00 52.24 H new ATOM 0 HZ2 LYS A 86 21.998 13.430 -30.243 1.00 52.24 H new ATOM 0 HZ3 LYS A 86 22.066 11.887 -30.948 1.00 52.24 H new ATOM 1352 N LEU A 87 24.617 11.294 -27.039 1.00 44.52 N ATOM 1353 CA LEU A 87 25.950 11.701 -27.503 1.00 54.15 C ATOM 1354 C LEU A 87 26.971 10.563 -27.331 1.00 72.12 C ATOM 1355 O LEU A 87 27.655 10.179 -28.281 1.00 53.04 O ATOM 1356 CB LEU A 87 26.413 12.943 -26.730 1.00 52.14 C ATOM 1357 CG LEU A 87 27.800 13.487 -27.116 1.00 75.52 C ATOM 1358 CD1 LEU A 87 27.821 13.953 -28.571 1.00 11.44 C ATOM 1359 CD2 LEU A 87 28.213 14.617 -26.176 1.00 21.10 C ATOM 0 H LEU A 87 24.244 11.871 -26.285 1.00 44.52 H new ATOM 0 HA LEU A 87 25.884 11.937 -28.565 1.00 54.15 H new ATOM 0 HB2 LEU A 87 25.678 13.735 -26.876 1.00 52.14 H new ATOM 0 HB3 LEU A 87 26.419 12.706 -25.666 1.00 52.14 H new ATOM 0 HG LEU A 87 28.522 12.677 -27.016 1.00 75.52 H new ATOM 0 HD11 LEU A 87 28.813 14.333 -28.817 1.00 11.44 H new ATOM 0 HD12 LEU A 87 27.581 13.115 -29.225 1.00 11.44 H new ATOM 0 HD13 LEU A 87 27.085 14.745 -28.710 1.00 11.44 H new ATOM 0 HD21 LEU A 87 29.196 14.989 -26.464 1.00 21.10 H new ATOM 0 HD22 LEU A 87 27.486 15.427 -26.239 1.00 21.10 H new ATOM 0 HD23 LEU A 87 28.252 14.243 -25.153 1.00 21.10 H new ATOM 1371 N LYS A 88 27.063 10.022 -26.112 1.00 72.11 N ATOM 1372 CA LYS A 88 27.969 8.900 -25.832 1.00 41.03 C ATOM 1373 C LYS A 88 27.622 7.678 -26.696 1.00 23.45 C ATOM 1374 O LYS A 88 28.510 6.990 -27.194 1.00 1.32 O ATOM 1375 CB LYS A 88 27.928 8.525 -24.341 1.00 23.14 C ATOM 1376 CG LYS A 88 26.534 8.188 -23.826 1.00 23.33 C ATOM 1377 CD LYS A 88 26.540 7.743 -22.368 1.00 33.53 C ATOM 1378 CE LYS A 88 27.262 6.416 -22.181 1.00 23.33 C ATOM 1379 NZ LYS A 88 26.617 5.312 -22.942 1.00 73.22 N ATOM 0 H LYS A 88 26.525 10.340 -25.306 1.00 72.11 H new ATOM 0 HA LYS A 88 28.980 9.220 -26.084 1.00 41.03 H new ATOM 0 HB2 LYS A 88 28.583 7.670 -24.174 1.00 23.14 H new ATOM 0 HB3 LYS A 88 28.330 9.353 -23.757 1.00 23.14 H new ATOM 0 HG2 LYS A 88 25.890 9.061 -23.933 1.00 23.33 H new ATOM 0 HG3 LYS A 88 26.104 7.398 -24.442 1.00 23.33 H new ATOM 0 HD2 LYS A 88 27.021 8.507 -21.758 1.00 33.53 H new ATOM 0 HD3 LYS A 88 25.514 7.651 -22.013 1.00 33.53 H new ATOM 0 HE2 LYS A 88 28.298 6.520 -22.503 1.00 23.33 H new ATOM 0 HE3 LYS A 88 27.282 6.161 -21.121 1.00 23.33 H new ATOM 0 HZ1 LYS A 88 26.465 4.499 -22.312 1.00 73.22 H new ATOM 0 HZ2 LYS A 88 25.702 5.636 -23.315 1.00 73.22 H new ATOM 0 HZ3 LYS A 88 27.232 5.029 -23.731 1.00 73.22 H new ATOM 1393 N ALA A 89 26.324 7.424 -26.882 1.00 63.21 N ATOM 1394 CA ALA A 89 25.864 6.312 -27.725 1.00 34.53 C ATOM 1395 C ALA A 89 26.401 6.437 -29.162 1.00 22.33 C ATOM 1396 O ALA A 89 26.984 5.496 -29.705 1.00 53.10 O ATOM 1397 CB ALA A 89 24.338 6.248 -27.726 1.00 32.14 C ATOM 0 H ALA A 89 25.572 7.971 -26.462 1.00 63.21 H new ATOM 0 HA ALA A 89 26.256 5.386 -27.305 1.00 34.53 H new ATOM 0 HB1 ALA A 89 24.009 5.420 -28.354 1.00 32.14 H new ATOM 0 HB2 ALA A 89 23.980 6.096 -26.708 1.00 32.14 H new ATOM 0 HB3 ALA A 89 23.935 7.182 -28.117 1.00 32.14 H new ATOM 1403 N GLU A 90 26.226 7.614 -29.762 1.00 72.42 N ATOM 1404 CA GLU A 90 26.717 7.875 -31.122 1.00 14.42 C ATOM 1405 C GLU A 90 28.253 8.013 -31.158 1.00 3.40 C ATOM 1406 O GLU A 90 28.857 8.114 -32.232 1.00 52.53 O ATOM 1407 CB GLU A 90 26.054 9.140 -31.688 1.00 22.21 C ATOM 1408 CG GLU A 90 24.528 9.069 -31.705 1.00 22.42 C ATOM 1409 CD GLU A 90 23.872 10.238 -32.423 1.00 71.31 C ATOM 1410 OE1 GLU A 90 23.882 10.250 -33.674 1.00 63.30 O ATOM 1411 OE2 GLU A 90 23.330 11.143 -31.745 1.00 24.53 O ATOM 0 H GLU A 90 25.748 8.405 -29.330 1.00 72.42 H new ATOM 0 HA GLU A 90 26.450 7.020 -31.743 1.00 14.42 H new ATOM 0 HB2 GLU A 90 26.364 10.000 -31.095 1.00 22.21 H new ATOM 0 HB3 GLU A 90 26.414 9.307 -32.703 1.00 22.21 H new ATOM 0 HG2 GLU A 90 24.221 8.140 -32.186 1.00 22.42 H new ATOM 0 HG3 GLU A 90 24.163 9.033 -30.679 1.00 22.42 H new ATOM 1418 N GLY A 91 28.874 8.026 -29.979 1.00 21.13 N ATOM 1419 CA GLY A 91 30.330 8.095 -29.884 1.00 53.14 C ATOM 1420 C GLY A 91 30.982 6.748 -29.567 1.00 5.35 C ATOM 1421 O GLY A 91 32.206 6.619 -29.626 1.00 1.23 O ATOM 0 H GLY A 91 28.393 7.990 -29.080 1.00 21.13 H new ATOM 0 HA2 GLY A 91 30.731 8.472 -30.825 1.00 53.14 H new ATOM 0 HA3 GLY A 91 30.603 8.813 -29.111 1.00 53.14 H new ATOM 1425 N LEU A 92 30.172 5.744 -29.224 1.00 12.12 N ATOM 1426 CA LEU A 92 30.688 4.399 -28.920 1.00 13.12 C ATOM 1427 C LEU A 92 31.382 3.770 -30.138 1.00 71.11 C ATOM 1428 O LEU A 92 32.492 3.240 -30.035 1.00 23.15 O ATOM 1429 CB LEU A 92 29.554 3.479 -28.440 1.00 32.11 C ATOM 1430 CG LEU A 92 28.885 3.884 -27.114 1.00 51.20 C ATOM 1431 CD1 LEU A 92 27.761 2.913 -26.756 1.00 61.42 C ATOM 1432 CD2 LEU A 92 29.915 3.959 -25.988 1.00 43.30 C ATOM 0 H LEU A 92 29.159 5.832 -29.149 1.00 12.12 H new ATOM 0 HA LEU A 92 31.425 4.508 -28.125 1.00 13.12 H new ATOM 0 HB2 LEU A 92 28.789 3.440 -29.215 1.00 32.11 H new ATOM 0 HB3 LEU A 92 29.950 2.469 -28.333 1.00 32.11 H new ATOM 0 HG LEU A 92 28.450 4.875 -27.242 1.00 51.20 H new ATOM 0 HD11 LEU A 92 27.302 3.218 -25.816 1.00 61.42 H new ATOM 0 HD12 LEU A 92 27.009 2.920 -27.545 1.00 61.42 H new ATOM 0 HD13 LEU A 92 28.168 1.907 -26.651 1.00 61.42 H new ATOM 0 HD21 LEU A 92 29.420 4.247 -25.061 1.00 43.30 H new ATOM 0 HD22 LEU A 92 30.386 2.984 -25.860 1.00 43.30 H new ATOM 0 HD23 LEU A 92 30.675 4.699 -26.239 1.00 43.30 H new