USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 29 TYR OH : rot 168:sc= 1.16 USER MOD Set 1.2: A 97 THR OG1 : rot 149:sc= 1.71 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= -0.0401 (180deg=-0.27) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.347 X(o=0.35,f=-0.0094) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-8.8!) USER MOD Single : A 38 SER OG : rot -69:sc= 0.153 USER MOD Single : A 47 ASN : amide:sc=-0.00766 K(o=-0.0077,f=-0.72) USER MOD Single : A 53 THR OG1 : rot -37:sc= 1.54 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 102:sc= -0.217 USER MOD Single : A 59 GLN : amide:sc= -0.0269 X(o=-0.027,f=-0.13) USER MOD Single : A 63 GLN : amide:sc= -0.061 K(o=-0.061,f=-4.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 67 SER OG : rot 96:sc= 1.02 USER MOD Single : A 69 GLN : amide:sc= -0.0467 X(o=-0.047,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00739 USER MOD Single : A 72 SER OG : rot 180:sc= 0.122 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.981 USER MOD Single : A 80 ASN : amide:sc= -3.75! C(o=-3.8!,f=-5.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.673 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.272 USER MOD Single : A 89 HIS : no HD1:sc= -1.07! C(o=-0.43!,f=-4!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= 0.0199 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.263 -5.189 -13.565 1.00 52.14 N ATOM 64 CA VAL A 7 3.011 -5.198 -14.313 1.00 61.11 C ATOM 65 C VAL A 7 1.957 -4.333 -13.631 1.00 50.43 C ATOM 66 O VAL A 7 1.453 -3.373 -14.217 1.00 35.44 O ATOM 67 CB VAL A 7 2.462 -6.629 -14.471 1.00 12.34 C ATOM 68 CG1 VAL A 7 1.191 -6.624 -15.307 1.00 23.02 C ATOM 69 CG2 VAL A 7 3.513 -7.537 -15.088 1.00 20.30 C ATOM 0 HA VAL A 7 3.229 -4.789 -15.300 1.00 61.11 H new ATOM 0 HB VAL A 7 2.216 -7.017 -13.482 1.00 12.34 H new ATOM 0 HG11 VAL A 7 0.818 -7.643 -15.408 1.00 23.02 H new ATOM 0 HG12 VAL A 7 0.436 -6.008 -14.818 1.00 23.02 H new ATOM 0 HG13 VAL A 7 1.407 -6.217 -16.295 1.00 23.02 H new ATOM 0 HG21 VAL A 7 3.108 -8.544 -15.192 1.00 20.30 H new ATOM 0 HG22 VAL A 7 3.793 -7.155 -16.070 1.00 20.30 H new ATOM 0 HG23 VAL A 7 4.393 -7.565 -14.445 1.00 20.30 H new ATOM 79 N LEU A 8 1.629 -4.677 -12.391 1.00 55.34 N ATOM 80 CA LEU A 8 0.634 -3.932 -11.628 1.00 71.02 C ATOM 81 C LEU A 8 1.252 -3.330 -10.370 1.00 23.02 C ATOM 82 O LEU A 8 1.815 -4.044 -9.540 1.00 45.51 O ATOM 83 CB LEU A 8 -0.536 -4.842 -11.249 1.00 65.01 C ATOM 84 CG LEU A 8 -1.379 -5.370 -12.411 1.00 44.22 C ATOM 85 CD1 LEU A 8 -2.404 -6.375 -11.912 1.00 54.43 C ATOM 86 CD2 LEU A 8 -2.064 -4.221 -13.137 1.00 72.55 C ATOM 0 H LEU A 8 2.038 -5.467 -11.892 1.00 55.34 H new ATOM 0 HA LEU A 8 0.266 -3.120 -12.255 1.00 71.02 H new ATOM 0 HB2 LEU A 8 -0.143 -5.694 -10.695 1.00 65.01 H new ATOM 0 HB3 LEU A 8 -1.191 -4.295 -10.570 1.00 65.01 H new ATOM 0 HG LEU A 8 -0.718 -5.876 -13.115 1.00 44.22 H new ATOM 0 HD11 LEU A 8 -2.995 -6.740 -12.752 1.00 54.43 H new ATOM 0 HD12 LEU A 8 -1.892 -7.212 -11.438 1.00 54.43 H new ATOM 0 HD13 LEU A 8 -3.062 -5.895 -11.188 1.00 54.43 H new ATOM 0 HD21 LEU A 8 -2.660 -4.615 -13.961 1.00 72.55 H new ATOM 0 HD22 LEU A 8 -2.713 -3.687 -12.443 1.00 72.55 H new ATOM 0 HD23 LEU A 8 -1.311 -3.537 -13.528 1.00 72.55 H new ATOM 98 N SER A 9 1.142 -2.012 -10.236 1.00 33.02 N ATOM 99 CA SER A 9 1.691 -1.313 -9.079 1.00 43.22 C ATOM 100 C SER A 9 0.885 -1.624 -7.822 1.00 53.44 C ATOM 101 O SER A 9 -0.001 -2.477 -7.835 1.00 53.53 O ATOM 102 CB SER A 9 1.707 0.196 -9.329 1.00 13.20 C ATOM 103 OG SER A 9 0.506 0.800 -8.881 1.00 41.03 O ATOM 0 H SER A 9 0.678 -1.407 -10.914 1.00 33.02 H new ATOM 0 HA SER A 9 2.713 -1.660 -8.928 1.00 43.22 H new ATOM 0 HB2 SER A 9 2.557 0.644 -8.814 1.00 13.20 H new ATOM 0 HB3 SER A 9 1.840 0.390 -10.393 1.00 13.20 H new ATOM 0 HG SER A 9 0.542 1.765 -9.051 1.00 41.03 H new ATOM 109 N GLY A 10 1.200 -0.924 -6.737 1.00 72.43 N ATOM 110 CA GLY A 10 0.496 -1.140 -5.486 1.00 12.25 C ATOM 111 C GLY A 10 -1.007 -0.999 -5.635 1.00 24.22 C ATOM 112 O GLY A 10 -1.763 -1.870 -5.207 1.00 42.43 O ATOM 0 H GLY A 10 1.929 -0.212 -6.701 1.00 72.43 H new ATOM 0 HA2 GLY A 10 0.729 -2.136 -5.109 1.00 12.25 H new ATOM 0 HA3 GLY A 10 0.853 -0.426 -4.744 1.00 12.25 H new ATOM 116 N GLY A 11 -1.439 0.102 -6.241 1.00 54.14 N ATOM 117 CA GLY A 11 -2.859 0.333 -6.433 1.00 33.15 C ATOM 118 C GLY A 11 -3.483 -0.654 -7.399 1.00 41.53 C ATOM 119 O GLY A 11 -4.555 -1.197 -7.135 1.00 73.41 O ATOM 0 H GLY A 11 -0.832 0.838 -6.602 1.00 54.14 H new ATOM 0 HA2 GLY A 11 -3.368 0.266 -5.471 1.00 33.15 H new ATOM 0 HA3 GLY A 11 -3.012 1.346 -6.805 1.00 33.15 H new ATOM 123 N GLU A 12 -2.811 -0.884 -8.523 1.00 34.34 N ATOM 124 CA GLU A 12 -3.308 -1.811 -9.533 1.00 31.21 C ATOM 125 C GLU A 12 -3.396 -3.229 -8.974 1.00 4.01 C ATOM 126 O GLU A 12 -4.226 -4.029 -9.409 1.00 61.53 O ATOM 127 CB GLU A 12 -2.401 -1.792 -10.765 1.00 33.22 C ATOM 128 CG GLU A 12 -2.054 -0.392 -11.243 1.00 21.02 C ATOM 129 CD GLU A 12 -1.282 -0.397 -12.548 1.00 32.01 C ATOM 130 OE1 GLU A 12 -0.037 -0.488 -12.500 1.00 63.10 O ATOM 131 OE2 GLU A 12 -1.921 -0.309 -13.617 1.00 11.43 O ATOM 0 H GLU A 12 -1.922 -0.442 -8.757 1.00 34.34 H new ATOM 0 HA GLU A 12 -4.309 -1.490 -9.823 1.00 31.21 H new ATOM 0 HB2 GLU A 12 -1.480 -2.327 -10.536 1.00 33.22 H new ATOM 0 HB3 GLU A 12 -2.891 -2.333 -11.575 1.00 33.22 H new ATOM 0 HG2 GLU A 12 -2.972 0.183 -11.370 1.00 21.02 H new ATOM 0 HG3 GLU A 12 -1.465 0.114 -10.478 1.00 21.02 H new ATOM 138 N LEU A 13 -2.535 -3.532 -8.010 1.00 30.13 N ATOM 139 CA LEU A 13 -2.514 -4.853 -7.391 1.00 43.00 C ATOM 140 C LEU A 13 -3.784 -5.097 -6.583 1.00 11.44 C ATOM 141 O LEU A 13 -4.453 -6.118 -6.750 1.00 64.12 O ATOM 142 CB LEU A 13 -1.287 -4.996 -6.488 1.00 33.13 C ATOM 143 CG LEU A 13 -0.923 -6.421 -6.070 1.00 2.41 C ATOM 144 CD1 LEU A 13 -0.525 -7.247 -7.284 1.00 71.43 C ATOM 145 CD2 LEU A 13 0.199 -6.405 -5.043 1.00 60.23 C ATOM 0 H LEU A 13 -1.842 -2.882 -7.640 1.00 30.13 H new ATOM 0 HA LEU A 13 -2.462 -5.597 -8.185 1.00 43.00 H new ATOM 0 HB2 LEU A 13 -0.430 -4.559 -7.001 1.00 33.13 H new ATOM 0 HB3 LEU A 13 -1.453 -4.406 -5.587 1.00 33.13 H new ATOM 0 HG LEU A 13 -1.799 -6.881 -5.614 1.00 2.41 H new ATOM 0 HD11 LEU A 13 -0.269 -8.258 -6.968 1.00 71.43 H new ATOM 0 HD12 LEU A 13 -1.358 -7.286 -7.986 1.00 71.43 H new ATOM 0 HD13 LEU A 13 0.337 -6.789 -7.769 1.00 71.43 H new ATOM 0 HD21 LEU A 13 0.445 -7.428 -4.757 1.00 60.23 H new ATOM 0 HD22 LEU A 13 1.079 -5.927 -5.473 1.00 60.23 H new ATOM 0 HD23 LEU A 13 -0.122 -5.849 -4.162 1.00 60.23 H new ATOM 157 N ASP A 14 -4.114 -4.152 -5.709 1.00 10.11 N ATOM 158 CA ASP A 14 -5.307 -4.262 -4.878 1.00 51.20 C ATOM 159 C ASP A 14 -6.539 -4.550 -5.730 1.00 2.42 C ATOM 160 O ASP A 14 -7.290 -5.487 -5.460 1.00 23.52 O ATOM 161 CB ASP A 14 -5.516 -2.977 -4.075 1.00 43.44 C ATOM 162 CG ASP A 14 -4.791 -3.001 -2.745 1.00 33.22 C ATOM 163 OD1 ASP A 14 -3.547 -2.897 -2.745 1.00 63.21 O ATOM 164 OD2 ASP A 14 -5.468 -3.127 -1.702 1.00 3.41 O ATOM 0 H ASP A 14 -3.572 -3.301 -5.558 1.00 10.11 H new ATOM 0 HA ASP A 14 -5.163 -5.093 -4.188 1.00 51.20 H new ATOM 0 HB2 ASP A 14 -5.168 -2.126 -4.660 1.00 43.44 H new ATOM 0 HB3 ASP A 14 -6.582 -2.830 -3.902 1.00 43.44 H new ATOM 169 N LYS A 15 -6.742 -3.737 -6.762 1.00 3.14 N ATOM 170 CA LYS A 15 -7.883 -3.902 -7.655 1.00 24.11 C ATOM 171 C LYS A 15 -7.807 -5.236 -8.391 1.00 52.13 C ATOM 172 O LYS A 15 -8.813 -5.928 -8.546 1.00 14.11 O ATOM 173 CB LYS A 15 -7.938 -2.753 -8.663 1.00 41.23 C ATOM 174 CG LYS A 15 -8.345 -1.424 -8.050 1.00 54.21 C ATOM 175 CD LYS A 15 -7.687 -0.255 -8.763 1.00 20.30 C ATOM 176 CE LYS A 15 -8.047 1.070 -8.109 1.00 41.43 C ATOM 177 NZ LYS A 15 -6.838 1.817 -7.665 1.00 1.00 N ATOM 0 H LYS A 15 -6.130 -2.956 -7.000 1.00 3.14 H new ATOM 0 HA LYS A 15 -8.791 -3.890 -7.052 1.00 24.11 H new ATOM 0 HB2 LYS A 15 -6.959 -2.643 -9.130 1.00 41.23 H new ATOM 0 HB3 LYS A 15 -8.642 -3.009 -9.455 1.00 41.23 H new ATOM 0 HG2 LYS A 15 -9.429 -1.317 -8.098 1.00 54.21 H new ATOM 0 HG3 LYS A 15 -8.070 -1.409 -6.995 1.00 54.21 H new ATOM 0 HD2 LYS A 15 -6.605 -0.384 -8.754 1.00 20.30 H new ATOM 0 HD3 LYS A 15 -7.998 -0.243 -9.808 1.00 20.30 H new ATOM 0 HE2 LYS A 15 -8.613 1.680 -8.813 1.00 41.43 H new ATOM 0 HE3 LYS A 15 -8.696 0.888 -7.252 1.00 41.43 H new ATOM 0 HZ1 LYS A 15 -7.126 2.714 -7.225 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -6.311 1.246 -6.974 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -6.231 2.014 -8.486 1.00 1.00 H new ATOM 191 N TRP A 16 -6.609 -5.590 -8.843 1.00 24.44 N ATOM 192 CA TRP A 16 -6.403 -6.843 -9.561 1.00 3.32 C ATOM 193 C TRP A 16 -6.870 -8.031 -8.729 1.00 3.11 C ATOM 194 O TRP A 16 -7.706 -8.818 -9.171 1.00 63.44 O ATOM 195 CB TRP A 16 -4.927 -7.007 -9.928 1.00 34.45 C ATOM 196 CG TRP A 16 -4.627 -8.302 -10.621 1.00 15.20 C ATOM 197 CD1 TRP A 16 -4.121 -9.437 -10.055 1.00 31.21 C ATOM 198 CD2 TRP A 16 -4.815 -8.593 -12.010 1.00 23.11 C ATOM 199 NE1 TRP A 16 -3.983 -10.416 -11.008 1.00 44.54 N ATOM 200 CE2 TRP A 16 -4.402 -9.924 -12.216 1.00 25.13 C ATOM 201 CE3 TRP A 16 -5.293 -7.859 -13.099 1.00 43.34 C ATOM 202 CZ2 TRP A 16 -4.452 -10.532 -13.467 1.00 75.12 C ATOM 203 CZ3 TRP A 16 -5.342 -8.465 -14.340 1.00 53.22 C ATOM 204 CH2 TRP A 16 -4.925 -9.791 -14.516 1.00 32.24 C ATOM 0 H TRP A 16 -5.766 -5.028 -8.725 1.00 24.44 H new ATOM 0 HA TRP A 16 -6.995 -6.811 -10.475 1.00 3.32 H new ATOM 0 HB2 TRP A 16 -4.626 -6.181 -10.572 1.00 34.45 H new ATOM 0 HB3 TRP A 16 -4.325 -6.940 -9.022 1.00 34.45 H new ATOM 0 HD1 TRP A 16 -3.867 -9.548 -9.011 1.00 31.21 H new ATOM 0 HE1 TRP A 16 -3.626 -11.357 -10.843 1.00 44.54 H new ATOM 0 HE3 TRP A 16 -5.618 -6.837 -12.973 1.00 43.34 H new ATOM 0 HZ2 TRP A 16 -4.129 -11.553 -13.605 1.00 75.12 H new ATOM 0 HZ3 TRP A 16 -5.708 -7.907 -15.189 1.00 53.22 H new ATOM 0 HH2 TRP A 16 -4.978 -10.237 -15.498 1.00 32.24 H new ATOM 215 N GLU A 17 -6.324 -8.154 -7.523 1.00 72.31 N ATOM 216 CA GLU A 17 -6.685 -9.250 -6.630 1.00 2.41 C ATOM 217 C GLU A 17 -8.187 -9.259 -6.362 1.00 74.31 C ATOM 218 O GLU A 17 -8.766 -10.298 -6.041 1.00 1.11 O ATOM 219 CB GLU A 17 -5.921 -9.134 -5.310 1.00 32.01 C ATOM 220 CG GLU A 17 -4.463 -9.547 -5.412 1.00 63.10 C ATOM 221 CD GLU A 17 -3.822 -9.767 -4.056 1.00 72.41 C ATOM 222 OE1 GLU A 17 -4.125 -10.798 -3.417 1.00 14.52 O ATOM 223 OE2 GLU A 17 -3.017 -8.912 -3.633 1.00 14.52 O ATOM 0 H GLU A 17 -5.631 -7.510 -7.142 1.00 72.31 H new ATOM 0 HA GLU A 17 -6.414 -10.187 -7.117 1.00 2.41 H new ATOM 0 HB2 GLU A 17 -5.974 -8.104 -4.959 1.00 32.01 H new ATOM 0 HB3 GLU A 17 -6.413 -9.752 -4.560 1.00 32.01 H new ATOM 0 HG2 GLU A 17 -4.389 -10.463 -5.997 1.00 63.10 H new ATOM 0 HG3 GLU A 17 -3.909 -8.779 -5.951 1.00 63.10 H new ATOM 230 N LYS A 18 -8.814 -8.095 -6.495 1.00 72.24 N ATOM 231 CA LYS A 18 -10.249 -7.967 -6.269 1.00 63.42 C ATOM 232 C LYS A 18 -11.037 -8.476 -7.472 1.00 25.02 C ATOM 233 O LYS A 18 -11.978 -9.254 -7.324 1.00 74.42 O ATOM 234 CB LYS A 18 -10.612 -6.508 -5.986 1.00 55.01 C ATOM 235 CG LYS A 18 -10.723 -6.184 -4.506 1.00 55.20 C ATOM 236 CD LYS A 18 -12.122 -5.716 -4.142 1.00 34.30 C ATOM 237 CE LYS A 18 -12.111 -4.843 -2.896 1.00 0.21 C ATOM 238 NZ LYS A 18 -11.490 -3.515 -3.156 1.00 42.43 N ATOM 0 H LYS A 18 -8.350 -7.226 -6.759 1.00 72.24 H new ATOM 0 HA LYS A 18 -10.512 -8.575 -5.403 1.00 63.42 H new ATOM 0 HB2 LYS A 18 -9.858 -5.861 -6.435 1.00 55.01 H new ATOM 0 HB3 LYS A 18 -11.560 -6.278 -6.472 1.00 55.01 H new ATOM 0 HG2 LYS A 18 -10.469 -7.067 -3.919 1.00 55.20 H new ATOM 0 HG3 LYS A 18 -10.000 -5.410 -4.247 1.00 55.20 H new ATOM 0 HD2 LYS A 18 -12.548 -5.157 -4.975 1.00 34.30 H new ATOM 0 HD3 LYS A 18 -12.764 -6.581 -3.976 1.00 34.30 H new ATOM 0 HE2 LYS A 18 -13.132 -4.703 -2.541 1.00 0.21 H new ATOM 0 HE3 LYS A 18 -11.564 -5.351 -2.101 1.00 0.21 H new ATOM 0 HZ1 LYS A 18 -11.778 -2.846 -2.414 1.00 42.43 H new ATOM 0 HZ2 LYS A 18 -10.454 -3.610 -3.153 1.00 42.43 H new ATOM 0 HZ3 LYS A 18 -11.803 -3.161 -4.082 1.00 42.43 H new ATOM 252 N ILE A 19 -10.645 -8.031 -8.661 1.00 31.34 N ATOM 253 CA ILE A 19 -11.314 -8.444 -9.888 1.00 31.03 C ATOM 254 C ILE A 19 -11.419 -9.962 -9.973 1.00 11.00 C ATOM 255 O ILE A 19 -10.469 -10.679 -9.657 1.00 13.41 O ATOM 256 CB ILE A 19 -10.575 -7.920 -11.135 1.00 33.31 C ATOM 257 CG1 ILE A 19 -10.495 -6.393 -11.103 1.00 43.33 C ATOM 258 CG2 ILE A 19 -11.274 -8.394 -12.400 1.00 44.42 C ATOM 259 CD1 ILE A 19 -9.154 -5.849 -11.543 1.00 60.42 C ATOM 0 H ILE A 19 -9.868 -7.385 -8.800 1.00 31.34 H new ATOM 0 HA ILE A 19 -12.316 -8.015 -9.862 1.00 31.03 H new ATOM 0 HB ILE A 19 -9.560 -8.317 -11.133 1.00 33.31 H new ATOM 0 HG12 ILE A 19 -11.273 -5.983 -11.747 1.00 43.33 H new ATOM 0 HG13 ILE A 19 -10.704 -6.047 -10.091 1.00 43.33 H new ATOM 0 HG21 ILE A 19 -10.742 -8.017 -13.273 1.00 44.42 H new ATOM 0 HG22 ILE A 19 -11.284 -9.484 -12.424 1.00 44.42 H new ATOM 0 HG23 ILE A 19 -12.298 -8.022 -12.411 1.00 44.42 H new ATOM 0 HD11 ILE A 19 -9.170 -4.760 -11.495 1.00 60.42 H new ATOM 0 HD12 ILE A 19 -8.373 -6.230 -10.885 1.00 60.42 H new ATOM 0 HD13 ILE A 19 -8.952 -6.164 -12.567 1.00 60.42 H new ATOM 271 N ARG A 20 -12.579 -10.447 -10.404 1.00 10.23 N ATOM 272 CA ARG A 20 -12.809 -11.881 -10.531 1.00 3.32 C ATOM 273 C ARG A 20 -12.591 -12.340 -11.970 1.00 62.21 C ATOM 274 O ARG A 20 -12.716 -11.554 -12.910 1.00 3.15 O ATOM 275 CB ARG A 20 -14.227 -12.234 -10.081 1.00 31.01 C ATOM 276 CG ARG A 20 -14.349 -12.472 -8.585 1.00 72.15 C ATOM 277 CD ARG A 20 -15.708 -12.033 -8.060 1.00 43.51 C ATOM 278 NE ARG A 20 -15.587 -11.079 -6.960 1.00 62.12 N ATOM 279 CZ ARG A 20 -15.310 -11.432 -5.709 1.00 30.13 C ATOM 280 NH1 ARG A 20 -15.127 -12.708 -5.402 1.00 33.41 N ATOM 281 NH2 ARG A 20 -15.216 -10.507 -4.763 1.00 15.11 N ATOM 0 H ARG A 20 -13.375 -9.867 -10.671 1.00 10.23 H new ATOM 0 HA ARG A 20 -12.094 -12.397 -9.890 1.00 3.32 H new ATOM 0 HB2 ARG A 20 -14.902 -11.428 -10.368 1.00 31.01 H new ATOM 0 HB3 ARG A 20 -14.555 -13.128 -10.611 1.00 31.01 H new ATOM 0 HG2 ARG A 20 -14.199 -13.530 -8.370 1.00 72.15 H new ATOM 0 HG3 ARG A 20 -13.563 -11.927 -8.063 1.00 72.15 H new ATOM 0 HD2 ARG A 20 -16.281 -11.582 -8.870 1.00 43.51 H new ATOM 0 HD3 ARG A 20 -16.266 -12.907 -7.723 1.00 43.51 H new ATOM 0 HE ARG A 20 -15.722 -10.089 -7.163 1.00 62.12 H new ATOM 0 HH11 ARG A 20 -15.199 -13.422 -6.127 1.00 33.41 H new ATOM 0 HH12 ARG A 20 -14.915 -12.976 -4.441 1.00 33.41 H new ATOM 0 HH21 ARG A 20 -15.356 -9.524 -4.995 1.00 15.11 H new ATOM 0 HH22 ARG A 20 -15.003 -10.779 -3.803 1.00 15.11 H new ATOM 295 N LEU A 21 -12.264 -13.617 -12.135 1.00 54.32 N ATOM 296 CA LEU A 21 -12.028 -14.182 -13.459 1.00 12.34 C ATOM 297 C LEU A 21 -13.311 -14.188 -14.284 1.00 50.43 C ATOM 298 O LEU A 21 -13.269 -14.156 -15.514 1.00 55.12 O ATOM 299 CB LEU A 21 -11.479 -15.605 -13.338 1.00 12.33 C ATOM 300 CG LEU A 21 -10.057 -15.731 -12.790 1.00 1.31 C ATOM 301 CD1 LEU A 21 -9.769 -17.166 -12.380 1.00 33.25 C ATOM 302 CD2 LEU A 21 -9.045 -15.255 -13.823 1.00 33.51 C ATOM 0 H LEU A 21 -12.156 -14.281 -11.368 1.00 54.32 H new ATOM 0 HA LEU A 21 -11.293 -13.558 -13.968 1.00 12.34 H new ATOM 0 HB2 LEU A 21 -12.147 -16.177 -12.694 1.00 12.33 H new ATOM 0 HB3 LEU A 21 -11.510 -16.070 -14.323 1.00 12.33 H new ATOM 0 HG LEU A 21 -9.970 -15.099 -11.906 1.00 1.31 H new ATOM 0 HD11 LEU A 21 -8.753 -17.237 -11.992 1.00 33.25 H new ATOM 0 HD12 LEU A 21 -10.474 -17.472 -11.607 1.00 33.25 H new ATOM 0 HD13 LEU A 21 -9.873 -17.820 -13.246 1.00 33.25 H new ATOM 0 HD21 LEU A 21 -8.038 -15.351 -13.417 1.00 33.51 H new ATOM 0 HD22 LEU A 21 -9.132 -15.862 -14.724 1.00 33.51 H new ATOM 0 HD23 LEU A 21 -9.239 -14.211 -14.068 1.00 33.51 H new ATOM 314 N ARG A 22 -14.450 -14.228 -13.600 1.00 4.25 N ATOM 315 CA ARG A 22 -15.744 -14.237 -14.269 1.00 41.42 C ATOM 316 C ARG A 22 -16.777 -13.450 -13.468 1.00 11.15 C ATOM 317 O ARG A 22 -16.622 -13.218 -12.269 1.00 32.43 O ATOM 318 CB ARG A 22 -16.227 -15.674 -14.472 1.00 15.12 C ATOM 319 CG ARG A 22 -16.144 -16.147 -15.914 1.00 71.35 C ATOM 320 CD ARG A 22 -17.216 -17.180 -16.223 1.00 64.04 C ATOM 321 NE ARG A 22 -16.780 -18.134 -17.239 1.00 45.04 N ATOM 322 CZ ARG A 22 -17.435 -19.253 -17.528 1.00 21.31 C ATOM 323 NH1 ARG A 22 -18.551 -19.557 -16.880 1.00 14.12 N ATOM 324 NH2 ARG A 22 -16.974 -20.071 -18.466 1.00 22.10 N ATOM 0 H ARG A 22 -14.502 -14.255 -12.582 1.00 4.25 H new ATOM 0 HA ARG A 22 -15.625 -13.760 -15.242 1.00 41.42 H new ATOM 0 HB2 ARG A 22 -15.633 -16.340 -13.846 1.00 15.12 H new ATOM 0 HB3 ARG A 22 -17.260 -15.753 -14.132 1.00 15.12 H new ATOM 0 HG2 ARG A 22 -16.254 -15.295 -16.585 1.00 71.35 H new ATOM 0 HG3 ARG A 22 -15.159 -16.575 -16.102 1.00 71.35 H new ATOM 0 HD2 ARG A 22 -17.477 -17.716 -15.310 1.00 64.04 H new ATOM 0 HD3 ARG A 22 -18.119 -16.674 -16.564 1.00 64.04 H new ATOM 0 HE ARG A 22 -15.925 -17.930 -17.756 1.00 45.04 H new ATOM 0 HH11 ARG A 22 -18.908 -18.931 -16.158 1.00 14.12 H new ATOM 0 HH12 ARG A 22 -19.052 -20.417 -17.103 1.00 14.12 H new ATOM 0 HH21 ARG A 22 -16.115 -19.841 -18.966 1.00 22.10 H new ATOM 0 HH22 ARG A 22 -17.478 -20.930 -18.687 1.00 22.10 H new ATOM 338 N PRO A 23 -17.856 -13.028 -14.144 1.00 2.23 N ATOM 339 CA PRO A 23 -18.935 -12.261 -13.516 1.00 30.53 C ATOM 340 C PRO A 23 -19.752 -13.102 -12.542 1.00 74.40 C ATOM 341 O PRO A 23 -20.243 -12.599 -11.531 1.00 61.21 O ATOM 342 CB PRO A 23 -19.798 -11.824 -14.702 1.00 32.41 C ATOM 343 CG PRO A 23 -19.537 -12.844 -15.755 1.00 61.42 C ATOM 344 CD PRO A 23 -18.105 -13.268 -15.576 1.00 71.43 C ATOM 0 HA PRO A 23 -18.553 -11.431 -12.922 1.00 30.53 H new ATOM 0 HB2 PRO A 23 -20.854 -11.793 -14.433 1.00 32.41 H new ATOM 0 HB3 PRO A 23 -19.527 -10.825 -15.043 1.00 32.41 H new ATOM 0 HG2 PRO A 23 -20.211 -13.694 -15.651 1.00 61.42 H new ATOM 0 HG3 PRO A 23 -19.699 -12.428 -16.749 1.00 61.42 H new ATOM 0 HD2 PRO A 23 -17.960 -14.316 -15.839 1.00 71.43 H new ATOM 0 HD3 PRO A 23 -17.432 -12.685 -16.204 1.00 71.43 H new ATOM 352 N GLY A 24 -19.896 -14.387 -12.852 1.00 75.25 N ATOM 353 CA GLY A 24 -20.656 -15.278 -11.994 1.00 42.20 C ATOM 354 C GLY A 24 -19.770 -16.246 -11.236 1.00 33.33 C ATOM 355 O GLY A 24 -20.236 -17.279 -10.756 1.00 45.32 O ATOM 0 H GLY A 24 -19.500 -14.827 -13.682 1.00 75.25 H new ATOM 0 HA2 GLY A 24 -21.235 -14.688 -11.284 1.00 42.20 H new ATOM 0 HA3 GLY A 24 -21.369 -15.839 -12.598 1.00 42.20 H new ATOM 359 N GLY A 25 -18.488 -15.912 -11.125 1.00 40.30 N ATOM 360 CA GLY A 25 -17.555 -16.771 -10.420 1.00 14.23 C ATOM 361 C GLY A 25 -17.054 -16.147 -9.132 1.00 70.42 C ATOM 362 O GLY A 25 -17.354 -14.991 -8.835 1.00 75.21 O ATOM 0 H GLY A 25 -18.079 -15.061 -11.511 1.00 40.30 H new ATOM 0 HA2 GLY A 25 -18.039 -17.722 -10.196 1.00 14.23 H new ATOM 0 HA3 GLY A 25 -16.707 -16.990 -11.068 1.00 14.23 H new ATOM 366 N LYS A 26 -16.287 -16.914 -8.365 1.00 71.33 N ATOM 367 CA LYS A 26 -15.742 -16.433 -7.101 1.00 14.43 C ATOM 368 C LYS A 26 -14.219 -16.381 -7.150 1.00 1.10 C ATOM 369 O LYS A 26 -13.590 -15.599 -6.435 1.00 51.42 O ATOM 370 CB LYS A 26 -16.195 -17.332 -5.950 1.00 73.13 C ATOM 371 CG LYS A 26 -15.882 -16.767 -4.576 1.00 12.23 C ATOM 372 CD LYS A 26 -16.902 -17.215 -3.542 1.00 64.52 C ATOM 373 CE LYS A 26 -16.333 -18.288 -2.626 1.00 30.31 C ATOM 374 NZ LYS A 26 -16.535 -19.655 -3.180 1.00 2.31 N ATOM 0 H LYS A 26 -16.028 -17.873 -8.597 1.00 71.33 H new ATOM 0 HA LYS A 26 -16.118 -15.424 -6.934 1.00 14.43 H new ATOM 0 HB2 LYS A 26 -17.270 -17.496 -6.030 1.00 73.13 H new ATOM 0 HB3 LYS A 26 -15.716 -18.306 -6.051 1.00 73.13 H new ATOM 0 HG2 LYS A 26 -14.886 -17.087 -4.268 1.00 12.23 H new ATOM 0 HG3 LYS A 26 -15.866 -15.678 -4.624 1.00 12.23 H new ATOM 0 HD2 LYS A 26 -17.219 -16.358 -2.947 1.00 64.52 H new ATOM 0 HD3 LYS A 26 -17.789 -17.599 -4.047 1.00 64.52 H new ATOM 0 HE2 LYS A 26 -15.268 -18.110 -2.477 1.00 30.31 H new ATOM 0 HE3 LYS A 26 -16.808 -18.219 -1.647 1.00 30.31 H new ATOM 0 HZ1 LYS A 26 -16.133 -20.357 -2.526 1.00 2.31 H new ATOM 0 HZ2 LYS A 26 -17.552 -19.835 -3.299 1.00 2.31 H new ATOM 0 HZ3 LYS A 26 -16.060 -19.729 -4.102 1.00 2.31 H new ATOM 388 N LYS A 27 -13.630 -17.216 -7.999 1.00 24.41 N ATOM 389 CA LYS A 27 -12.180 -17.264 -8.144 1.00 32.52 C ATOM 390 C LYS A 27 -11.625 -15.896 -8.528 1.00 12.50 C ATOM 391 O LYS A 27 -11.686 -15.497 -9.690 1.00 5.01 O ATOM 392 CB LYS A 27 -11.786 -18.300 -9.200 1.00 73.10 C ATOM 393 CG LYS A 27 -10.494 -19.032 -8.882 1.00 35.31 C ATOM 394 CD LYS A 27 -9.776 -19.470 -10.146 1.00 62.15 C ATOM 395 CE LYS A 27 -9.181 -20.863 -9.996 1.00 5.45 C ATOM 396 NZ LYS A 27 -8.133 -21.131 -11.020 1.00 75.34 N ATOM 0 H LYS A 27 -14.135 -17.869 -8.598 1.00 24.41 H new ATOM 0 HA LYS A 27 -11.754 -17.553 -7.183 1.00 32.52 H new ATOM 0 HB2 LYS A 27 -12.591 -19.028 -9.300 1.00 73.10 H new ATOM 0 HB3 LYS A 27 -11.684 -17.803 -10.164 1.00 73.10 H new ATOM 0 HG2 LYS A 27 -9.841 -18.383 -8.298 1.00 35.31 H new ATOM 0 HG3 LYS A 27 -10.711 -19.904 -8.265 1.00 35.31 H new ATOM 0 HD2 LYS A 27 -10.473 -19.459 -10.984 1.00 62.15 H new ATOM 0 HD3 LYS A 27 -8.984 -18.759 -10.381 1.00 62.15 H new ATOM 0 HE2 LYS A 27 -8.751 -20.969 -9.000 1.00 5.45 H new ATOM 0 HE3 LYS A 27 -9.972 -21.607 -10.083 1.00 5.45 H new ATOM 0 HZ1 LYS A 27 -7.752 -22.089 -10.885 1.00 75.34 H new ATOM 0 HZ2 LYS A 27 -8.549 -21.055 -11.970 1.00 75.34 H new ATOM 0 HZ3 LYS A 27 -7.365 -20.436 -10.921 1.00 75.34 H new ATOM 410 N GLN A 28 -11.086 -15.183 -7.544 1.00 73.55 N ATOM 411 CA GLN A 28 -10.521 -13.861 -7.781 1.00 35.33 C ATOM 412 C GLN A 28 -9.256 -13.952 -8.628 1.00 74.33 C ATOM 413 O GLN A 28 -8.738 -15.042 -8.871 1.00 70.23 O ATOM 414 CB GLN A 28 -10.210 -13.171 -6.452 1.00 14.03 C ATOM 415 CG GLN A 28 -11.327 -13.291 -5.428 1.00 11.45 C ATOM 416 CD GLN A 28 -10.955 -14.181 -4.259 1.00 73.42 C ATOM 417 OE1 GLN A 28 -10.117 -13.821 -3.431 1.00 60.22 O ATOM 418 NE2 GLN A 28 -11.577 -15.352 -4.184 1.00 52.43 N ATOM 0 H GLN A 28 -11.029 -15.499 -6.576 1.00 73.55 H new ATOM 0 HA GLN A 28 -11.258 -13.271 -8.325 1.00 35.33 H new ATOM 0 HB2 GLN A 28 -9.298 -13.599 -6.035 1.00 14.03 H new ATOM 0 HB3 GLN A 28 -10.011 -12.116 -6.638 1.00 14.03 H new ATOM 0 HG2 GLN A 28 -11.582 -12.298 -5.057 1.00 11.45 H new ATOM 0 HG3 GLN A 28 -12.218 -13.689 -5.913 1.00 11.45 H new ATOM 0 HE21 GLN A 28 -12.265 -15.610 -4.892 1.00 52.43 H new ATOM 0 HE22 GLN A 28 -11.367 -15.993 -3.419 1.00 52.43 H new ATOM 427 N TYR A 29 -8.764 -12.803 -9.074 1.00 14.34 N ATOM 428 CA TYR A 29 -7.561 -12.753 -9.896 1.00 51.14 C ATOM 429 C TYR A 29 -6.307 -12.814 -9.032 1.00 34.45 C ATOM 430 O TYR A 29 -6.296 -12.333 -7.897 1.00 61.44 O ATOM 431 CB TYR A 29 -7.549 -11.480 -10.743 1.00 54.30 C ATOM 432 CG TYR A 29 -7.986 -11.700 -12.174 1.00 3.24 C ATOM 433 CD1 TYR A 29 -7.124 -12.268 -13.104 1.00 51.11 C ATOM 434 CD2 TYR A 29 -9.259 -11.338 -12.596 1.00 72.13 C ATOM 435 CE1 TYR A 29 -7.519 -12.470 -14.412 1.00 44.34 C ATOM 436 CE2 TYR A 29 -9.663 -11.538 -13.903 1.00 31.25 C ATOM 437 CZ TYR A 29 -8.789 -12.105 -14.807 1.00 4.43 C ATOM 438 OH TYR A 29 -9.186 -12.304 -16.109 1.00 11.14 O ATOM 0 H TYR A 29 -9.180 -11.892 -8.880 1.00 14.34 H new ATOM 0 HA TYR A 29 -7.567 -13.620 -10.556 1.00 51.14 H new ATOM 0 HB2 TYR A 29 -8.204 -10.741 -10.282 1.00 54.30 H new ATOM 0 HB3 TYR A 29 -6.543 -11.061 -10.740 1.00 54.30 H new ATOM 0 HD1 TYR A 29 -6.129 -12.556 -12.799 1.00 51.11 H new ATOM 0 HD2 TYR A 29 -9.945 -10.893 -11.891 1.00 72.13 H new ATOM 0 HE1 TYR A 29 -6.836 -12.912 -15.123 1.00 44.34 H new ATOM 0 HE2 TYR A 29 -10.657 -11.252 -14.214 1.00 31.25 H new ATOM 0 HH TYR A 29 -10.155 -12.174 -16.179 1.00 11.14 H new ATOM 448 N LYS A 30 -5.249 -13.408 -9.575 1.00 34.34 N ATOM 449 CA LYS A 30 -3.987 -13.532 -8.855 1.00 42.10 C ATOM 450 C LYS A 30 -2.804 -13.434 -9.812 1.00 45.01 C ATOM 451 O LYS A 30 -2.966 -13.537 -11.028 1.00 73.14 O ATOM 452 CB LYS A 30 -3.936 -14.860 -8.098 1.00 64.32 C ATOM 453 CG LYS A 30 -3.834 -14.699 -6.590 1.00 43.33 C ATOM 454 CD LYS A 30 -2.738 -15.575 -6.009 1.00 71.12 C ATOM 455 CE LYS A 30 -3.161 -17.036 -5.957 1.00 52.34 C ATOM 456 NZ LYS A 30 -3.698 -17.410 -4.620 1.00 70.35 N ATOM 0 H LYS A 30 -5.241 -13.811 -10.512 1.00 34.34 H new ATOM 0 HA LYS A 30 -3.923 -12.712 -8.140 1.00 42.10 H new ATOM 0 HB2 LYS A 30 -4.830 -15.437 -8.333 1.00 64.32 H new ATOM 0 HB3 LYS A 30 -3.082 -15.437 -8.452 1.00 64.32 H new ATOM 0 HG2 LYS A 30 -3.634 -13.655 -6.347 1.00 43.33 H new ATOM 0 HG3 LYS A 30 -4.788 -14.956 -6.130 1.00 43.33 H new ATOM 0 HD2 LYS A 30 -1.835 -15.478 -6.612 1.00 71.12 H new ATOM 0 HD3 LYS A 30 -2.490 -15.231 -5.005 1.00 71.12 H new ATOM 0 HE2 LYS A 30 -3.919 -17.222 -6.718 1.00 52.34 H new ATOM 0 HE3 LYS A 30 -2.307 -17.670 -6.196 1.00 52.34 H new ATOM 0 HZ1 LYS A 30 -3.975 -18.412 -4.625 1.00 70.35 H new ATOM 0 HZ2 LYS A 30 -2.967 -17.257 -3.897 1.00 70.35 H new ATOM 0 HZ3 LYS A 30 -4.528 -16.823 -4.403 1.00 70.35 H new ATOM 470 N LEU A 31 -1.614 -13.234 -9.256 1.00 62.15 N ATOM 471 CA LEU A 31 -0.402 -13.124 -10.060 1.00 62.34 C ATOM 472 C LEU A 31 -0.273 -14.307 -11.015 1.00 52.13 C ATOM 473 O LEU A 31 0.290 -14.182 -12.102 1.00 45.33 O ATOM 474 CB LEU A 31 0.830 -13.048 -9.156 1.00 35.00 C ATOM 475 CG LEU A 31 0.980 -11.768 -8.334 1.00 11.22 C ATOM 476 CD1 LEU A 31 1.700 -12.054 -7.026 1.00 44.21 C ATOM 477 CD2 LEU A 31 1.722 -10.705 -9.132 1.00 54.22 C ATOM 0 H LEU A 31 -1.463 -13.145 -8.251 1.00 62.15 H new ATOM 0 HA LEU A 31 -0.469 -12.209 -10.649 1.00 62.34 H new ATOM 0 HB2 LEU A 31 0.806 -13.895 -8.471 1.00 35.00 H new ATOM 0 HB3 LEU A 31 1.719 -13.164 -9.776 1.00 35.00 H new ATOM 0 HG LEU A 31 -0.016 -11.390 -8.101 1.00 11.22 H new ATOM 0 HD11 LEU A 31 1.797 -11.131 -6.455 1.00 44.21 H new ATOM 0 HD12 LEU A 31 1.129 -12.780 -6.448 1.00 44.21 H new ATOM 0 HD13 LEU A 31 2.691 -12.456 -7.237 1.00 44.21 H new ATOM 0 HD21 LEU A 31 1.819 -9.801 -8.531 1.00 54.22 H new ATOM 0 HD22 LEU A 31 2.713 -11.074 -9.396 1.00 54.22 H new ATOM 0 HD23 LEU A 31 1.165 -10.478 -10.041 1.00 54.22 H new ATOM 489 N LYS A 32 -0.801 -15.454 -10.603 1.00 33.44 N ATOM 490 CA LYS A 32 -0.749 -16.660 -11.421 1.00 4.03 C ATOM 491 C LYS A 32 -1.276 -16.386 -12.826 1.00 52.35 C ATOM 492 O LYS A 32 -0.745 -16.902 -13.811 1.00 21.11 O ATOM 493 CB LYS A 32 -1.562 -17.780 -10.769 1.00 31.41 C ATOM 494 CG LYS A 32 -1.156 -18.069 -9.333 1.00 42.53 C ATOM 495 CD LYS A 32 -1.261 -19.551 -9.013 1.00 12.43 C ATOM 496 CE LYS A 32 -2.695 -19.953 -8.702 1.00 44.23 C ATOM 497 NZ LYS A 32 -3.399 -20.473 -9.908 1.00 63.02 N ATOM 0 H LYS A 32 -1.271 -15.574 -9.706 1.00 33.44 H new ATOM 0 HA LYS A 32 0.292 -16.973 -11.496 1.00 4.03 H new ATOM 0 HB2 LYS A 32 -2.618 -17.512 -10.792 1.00 31.41 H new ATOM 0 HB3 LYS A 32 -1.451 -18.689 -11.359 1.00 31.41 H new ATOM 0 HG2 LYS A 32 -0.133 -17.732 -9.168 1.00 42.53 H new ATOM 0 HG3 LYS A 32 -1.792 -17.503 -8.653 1.00 42.53 H new ATOM 0 HD2 LYS A 32 -0.893 -20.134 -9.858 1.00 12.43 H new ATOM 0 HD3 LYS A 32 -0.623 -19.787 -8.161 1.00 12.43 H new ATOM 0 HE2 LYS A 32 -2.698 -20.715 -7.923 1.00 44.23 H new ATOM 0 HE3 LYS A 32 -3.236 -19.093 -8.308 1.00 44.23 H new ATOM 0 HZ1 LYS A 32 -4.373 -20.736 -9.655 1.00 63.02 H new ATOM 0 HZ2 LYS A 32 -3.419 -19.737 -10.643 1.00 63.02 H new ATOM 0 HZ3 LYS A 32 -2.897 -21.309 -10.269 1.00 63.02 H new ATOM 511 N HIS A 33 -2.323 -15.571 -12.912 1.00 44.23 N ATOM 512 CA HIS A 33 -2.921 -15.226 -14.198 1.00 63.32 C ATOM 513 C HIS A 33 -2.058 -14.212 -14.944 1.00 33.33 C ATOM 514 O HIS A 33 -2.024 -14.293 -16.172 1.00 10.05 O ATOM 515 CB HIS A 33 -4.328 -14.665 -13.996 1.00 10.43 C ATOM 516 CG HIS A 33 -5.167 -15.476 -13.056 1.00 43.03 C ATOM 517 ND1 HIS A 33 -5.891 -14.920 -12.022 1.00 45.02 N ATOM 518 CD2 HIS A 33 -5.396 -16.808 -12.999 1.00 31.43 C ATOM 519 CE1 HIS A 33 -6.527 -15.876 -11.369 1.00 70.13 C ATOM 520 NE2 HIS A 33 -6.244 -17.032 -11.943 1.00 1.02 N ATOM 0 H HIS A 33 -2.775 -15.137 -12.107 1.00 44.23 H new ATOM 0 HA HIS A 33 -2.983 -16.134 -14.797 1.00 63.32 H new ATOM 0 HB2 HIS A 33 -4.253 -13.646 -13.616 1.00 10.43 H new ATOM 0 HB3 HIS A 33 -4.830 -14.609 -14.962 1.00 10.43 H new ATOM 0 HD2 HIS A 33 -4.987 -17.557 -13.662 1.00 31.43 H new ATOM 0 HE1 HIS A 33 -7.169 -15.737 -10.512 1.00 70.13 H new ATOM 0 HE2 HIS A 33 -6.598 -17.942 -11.649 1.00 1.02 H new ATOM 528 N ILE A 34 -1.385 -13.293 -14.259 1.00 54.10 N ATOM 529 CA ILE A 34 -0.548 -12.305 -14.928 1.00 11.00 C ATOM 530 C ILE A 34 0.670 -12.960 -15.569 1.00 64.42 C ATOM 531 O ILE A 34 1.105 -12.564 -16.651 1.00 33.33 O ATOM 532 CB ILE A 34 -0.075 -11.213 -13.951 1.00 31.45 C ATOM 533 CG1 ILE A 34 -1.266 -10.631 -13.187 1.00 35.23 C ATOM 534 CG2 ILE A 34 0.668 -10.116 -14.699 1.00 60.23 C ATOM 535 CD1 ILE A 34 -0.870 -9.648 -12.107 1.00 31.21 C ATOM 0 H ILE A 34 -1.403 -13.212 -13.242 1.00 54.10 H new ATOM 0 HA ILE A 34 -1.161 -11.846 -15.704 1.00 11.00 H new ATOM 0 HB ILE A 34 0.610 -11.663 -13.232 1.00 31.45 H new ATOM 0 HG12 ILE A 34 -1.932 -10.134 -13.892 1.00 35.23 H new ATOM 0 HG13 ILE A 34 -1.831 -11.446 -12.735 1.00 35.23 H new ATOM 0 HG21 ILE A 34 0.995 -9.352 -13.994 1.00 60.23 H new ATOM 0 HG22 ILE A 34 1.536 -10.542 -15.201 1.00 60.23 H new ATOM 0 HG23 ILE A 34 0.005 -9.667 -15.439 1.00 60.23 H new ATOM 0 HD11 ILE A 34 -1.765 -9.276 -11.607 1.00 31.21 H new ATOM 0 HD12 ILE A 34 -0.228 -10.145 -11.380 1.00 31.21 H new ATOM 0 HD13 ILE A 34 -0.331 -8.813 -12.555 1.00 31.21 H new ATOM 547 N VAL A 35 1.218 -13.966 -14.895 1.00 61.43 N ATOM 548 CA VAL A 35 2.385 -14.680 -15.400 1.00 5.23 C ATOM 549 C VAL A 35 1.987 -15.714 -16.447 1.00 21.23 C ATOM 550 O VAL A 35 2.696 -15.918 -17.433 1.00 34.33 O ATOM 551 CB VAL A 35 3.148 -15.383 -14.261 1.00 51.14 C ATOM 552 CG1 VAL A 35 4.342 -16.147 -14.813 1.00 25.44 C ATOM 553 CG2 VAL A 35 3.588 -14.375 -13.211 1.00 53.20 C ATOM 0 H VAL A 35 0.872 -14.305 -13.997 1.00 61.43 H new ATOM 0 HA VAL A 35 3.037 -13.937 -15.859 1.00 5.23 H new ATOM 0 HB VAL A 35 2.477 -16.098 -13.784 1.00 51.14 H new ATOM 0 HG11 VAL A 35 4.870 -16.638 -13.995 1.00 25.44 H new ATOM 0 HG12 VAL A 35 3.997 -16.898 -15.524 1.00 25.44 H new ATOM 0 HG13 VAL A 35 5.016 -15.454 -15.316 1.00 25.44 H new ATOM 0 HG21 VAL A 35 4.125 -14.890 -12.415 1.00 53.20 H new ATOM 0 HG22 VAL A 35 4.243 -13.634 -13.670 1.00 53.20 H new ATOM 0 HG23 VAL A 35 2.712 -13.877 -12.795 1.00 53.20 H new ATOM 563 N TRP A 36 0.850 -16.363 -16.225 1.00 10.33 N ATOM 564 CA TRP A 36 0.357 -17.377 -17.150 1.00 74.21 C ATOM 565 C TRP A 36 0.204 -16.804 -18.555 1.00 12.02 C ATOM 566 O TRP A 36 0.425 -17.499 -19.546 1.00 22.22 O ATOM 567 CB TRP A 36 -0.983 -17.933 -16.664 1.00 24.13 C ATOM 568 CG TRP A 36 -1.630 -18.866 -17.643 1.00 22.04 C ATOM 569 CD1 TRP A 36 -1.609 -20.230 -17.610 1.00 34.22 C ATOM 570 CD2 TRP A 36 -2.390 -18.501 -18.799 1.00 13.21 C ATOM 571 NE1 TRP A 36 -2.312 -20.737 -18.676 1.00 43.55 N ATOM 572 CE2 TRP A 36 -2.802 -19.696 -19.421 1.00 21.25 C ATOM 573 CE3 TRP A 36 -2.767 -17.281 -19.369 1.00 63.33 C ATOM 574 CZ2 TRP A 36 -3.569 -19.705 -20.583 1.00 64.41 C ATOM 575 CZ3 TRP A 36 -3.527 -17.292 -20.522 1.00 63.03 C ATOM 576 CH2 TRP A 36 -3.922 -18.497 -21.120 1.00 22.24 C ATOM 0 H TRP A 36 0.253 -16.206 -15.413 1.00 10.33 H new ATOM 0 HA TRP A 36 1.087 -18.186 -17.185 1.00 74.21 H new ATOM 0 HB2 TRP A 36 -0.830 -18.457 -15.721 1.00 24.13 H new ATOM 0 HB3 TRP A 36 -1.660 -17.103 -16.462 1.00 24.13 H new ATOM 0 HD1 TRP A 36 -1.113 -20.824 -16.857 1.00 34.22 H new ATOM 0 HE1 TRP A 36 -2.447 -21.727 -18.880 1.00 43.55 H new ATOM 0 HE3 TRP A 36 -2.469 -16.347 -18.916 1.00 63.33 H new ATOM 0 HZ2 TRP A 36 -3.874 -20.633 -21.044 1.00 64.41 H new ATOM 0 HZ3 TRP A 36 -3.822 -16.355 -20.971 1.00 63.03 H new ATOM 0 HH2 TRP A 36 -4.516 -18.471 -22.022 1.00 22.24 H new ATOM 587 N ALA A 37 -0.177 -15.533 -18.632 1.00 51.24 N ATOM 588 CA ALA A 37 -0.357 -14.867 -19.917 1.00 34.12 C ATOM 589 C ALA A 37 0.976 -14.386 -20.478 1.00 23.31 C ATOM 590 O ALA A 37 1.168 -14.337 -21.693 1.00 24.42 O ATOM 591 CB ALA A 37 -1.324 -13.700 -19.775 1.00 65.31 C ATOM 0 H ALA A 37 -0.367 -14.944 -17.821 1.00 51.24 H new ATOM 0 HA ALA A 37 -0.776 -15.590 -20.617 1.00 34.12 H new ATOM 0 HB1 ALA A 37 -1.449 -13.212 -20.741 1.00 65.31 H new ATOM 0 HB2 ALA A 37 -2.289 -14.068 -19.426 1.00 65.31 H new ATOM 0 HB3 ALA A 37 -0.927 -12.984 -19.055 1.00 65.31 H new ATOM 597 N SER A 38 1.896 -14.032 -19.586 1.00 33.14 N ATOM 598 CA SER A 38 3.211 -13.550 -19.992 1.00 61.24 C ATOM 599 C SER A 38 3.989 -14.644 -20.718 1.00 13.42 C ATOM 600 O SER A 38 4.685 -14.379 -21.698 1.00 44.23 O ATOM 601 CB SER A 38 4.001 -13.070 -18.774 1.00 14.12 C ATOM 602 OG SER A 38 4.946 -14.042 -18.363 1.00 33.53 O ATOM 0 H SER A 38 1.755 -14.070 -18.577 1.00 33.14 H new ATOM 0 HA SER A 38 3.069 -12.713 -20.676 1.00 61.24 H new ATOM 0 HB2 SER A 38 4.514 -12.138 -19.013 1.00 14.12 H new ATOM 0 HB3 SER A 38 3.316 -12.855 -17.954 1.00 14.12 H new ATOM 0 HG SER A 38 4.477 -14.818 -17.992 1.00 33.53 H new ATOM 608 N ARG A 39 3.865 -15.874 -20.229 1.00 25.03 N ATOM 609 CA ARG A 39 4.558 -17.008 -20.828 1.00 53.52 C ATOM 610 C ARG A 39 3.916 -17.394 -22.158 1.00 44.23 C ATOM 611 O ARG A 39 4.583 -17.919 -23.050 1.00 4.04 O ATOM 612 CB ARG A 39 4.541 -18.204 -19.875 1.00 53.05 C ATOM 613 CG ARG A 39 5.638 -18.161 -18.824 1.00 64.21 C ATOM 614 CD ARG A 39 5.389 -19.174 -17.718 1.00 43.22 C ATOM 615 NE ARG A 39 5.519 -20.549 -18.195 1.00 1.15 N ATOM 616 CZ ARG A 39 6.683 -21.118 -18.489 1.00 4.52 C ATOM 617 NH1 ARG A 39 7.812 -20.433 -18.355 1.00 75.44 N ATOM 618 NH2 ARG A 39 6.720 -22.373 -18.917 1.00 1.51 N ATOM 0 H ARG A 39 3.291 -16.110 -19.420 1.00 25.03 H new ATOM 0 HA ARG A 39 5.591 -16.715 -21.013 1.00 53.52 H new ATOM 0 HB2 ARG A 39 3.573 -18.246 -19.376 1.00 53.05 H new ATOM 0 HB3 ARG A 39 4.641 -19.121 -20.455 1.00 53.05 H new ATOM 0 HG2 ARG A 39 6.601 -18.362 -19.293 1.00 64.21 H new ATOM 0 HG3 ARG A 39 5.695 -17.160 -18.396 1.00 64.21 H new ATOM 0 HD2 ARG A 39 6.095 -19.004 -16.905 1.00 43.22 H new ATOM 0 HD3 ARG A 39 4.390 -19.025 -17.309 1.00 43.22 H new ATOM 0 HE ARG A 39 4.670 -21.102 -18.308 1.00 1.15 H new ATOM 0 HH11 ARG A 39 7.787 -19.468 -18.026 1.00 75.44 H new ATOM 0 HH12 ARG A 39 8.705 -20.872 -18.581 1.00 75.44 H new ATOM 0 HH21 ARG A 39 5.854 -22.902 -19.021 1.00 1.51 H new ATOM 0 HH22 ARG A 39 7.614 -22.809 -19.142 1.00 1.51 H new ATOM 632 N GLU A 40 2.620 -17.130 -22.283 1.00 53.42 N ATOM 633 CA GLU A 40 1.890 -17.452 -23.504 1.00 10.34 C ATOM 634 C GLU A 40 2.092 -16.369 -24.560 1.00 51.12 C ATOM 635 O GLU A 40 1.991 -16.629 -25.760 1.00 62.11 O ATOM 636 CB GLU A 40 0.398 -17.616 -23.204 1.00 12.11 C ATOM 637 CG GLU A 40 -0.243 -18.788 -23.927 1.00 42.14 C ATOM 638 CD GLU A 40 -0.891 -18.382 -25.237 1.00 73.21 C ATOM 639 OE1 GLU A 40 -0.678 -17.232 -25.672 1.00 63.33 O ATOM 640 OE2 GLU A 40 -1.613 -19.214 -25.825 1.00 14.00 O ATOM 0 H GLU A 40 2.054 -16.694 -21.555 1.00 53.42 H new ATOM 0 HA GLU A 40 2.280 -18.392 -23.894 1.00 10.34 H new ATOM 0 HB2 GLU A 40 0.264 -17.745 -22.130 1.00 12.11 H new ATOM 0 HB3 GLU A 40 -0.123 -16.700 -23.482 1.00 12.11 H new ATOM 0 HG2 GLU A 40 0.514 -19.548 -24.121 1.00 42.14 H new ATOM 0 HG3 GLU A 40 -0.994 -19.243 -23.280 1.00 42.14 H new ATOM 647 N LEU A 41 2.376 -15.154 -24.105 1.00 14.20 N ATOM 648 CA LEU A 41 2.591 -14.029 -25.010 1.00 21.42 C ATOM 649 C LEU A 41 3.897 -14.194 -25.782 1.00 55.02 C ATOM 650 O LEU A 41 3.925 -14.067 -27.005 1.00 54.24 O ATOM 651 CB LEU A 41 2.611 -12.716 -24.227 1.00 23.22 C ATOM 652 CG LEU A 41 1.303 -11.925 -24.209 1.00 11.24 C ATOM 653 CD1 LEU A 41 1.449 -10.671 -23.362 1.00 4.21 C ATOM 654 CD2 LEU A 41 0.876 -11.568 -25.625 1.00 1.23 C ATOM 0 H LEU A 41 2.463 -14.922 -23.116 1.00 14.20 H new ATOM 0 HA LEU A 41 1.768 -14.006 -25.724 1.00 21.42 H new ATOM 0 HB2 LEU A 41 2.894 -12.935 -23.197 1.00 23.22 H new ATOM 0 HB3 LEU A 41 3.391 -12.079 -24.644 1.00 23.22 H new ATOM 0 HG LEU A 41 0.529 -12.550 -23.764 1.00 11.24 H new ATOM 0 HD11 LEU A 41 0.508 -10.121 -23.361 1.00 4.21 H new ATOM 0 HD12 LEU A 41 1.707 -10.950 -22.340 1.00 4.21 H new ATOM 0 HD13 LEU A 41 2.237 -10.042 -23.776 1.00 4.21 H new ATOM 0 HD21 LEU A 41 -0.057 -11.005 -25.593 1.00 1.23 H new ATOM 0 HD22 LEU A 41 1.649 -10.962 -26.096 1.00 1.23 H new ATOM 0 HD23 LEU A 41 0.729 -12.481 -26.202 1.00 1.23 H new ATOM 666 N GLU A 42 4.974 -14.480 -25.058 1.00 60.12 N ATOM 667 CA GLU A 42 6.282 -14.664 -25.677 1.00 32.41 C ATOM 668 C GLU A 42 6.226 -15.740 -26.756 1.00 64.14 C ATOM 669 O GLU A 42 7.025 -15.735 -27.694 1.00 54.43 O ATOM 670 CB GLU A 42 7.322 -15.040 -24.619 1.00 41.21 C ATOM 671 CG GLU A 42 8.660 -15.460 -25.204 1.00 61.40 C ATOM 672 CD GLU A 42 9.811 -15.243 -24.242 1.00 22.43 C ATOM 673 OE1 GLU A 42 10.019 -16.103 -23.359 1.00 44.41 O ATOM 674 OE2 GLU A 42 10.506 -14.213 -24.372 1.00 33.32 O ATOM 0 H GLU A 42 4.967 -14.589 -24.044 1.00 60.12 H new ATOM 0 HA GLU A 42 6.572 -13.722 -26.143 1.00 32.41 H new ATOM 0 HB2 GLU A 42 7.476 -14.190 -23.955 1.00 41.21 H new ATOM 0 HB3 GLU A 42 6.930 -15.854 -24.009 1.00 41.21 H new ATOM 0 HG2 GLU A 42 8.617 -16.513 -25.481 1.00 61.40 H new ATOM 0 HG3 GLU A 42 8.845 -14.897 -26.119 1.00 61.40 H new ATOM 681 N ARG A 43 5.279 -16.662 -26.617 1.00 25.10 N ATOM 682 CA ARG A 43 5.121 -17.746 -27.579 1.00 34.20 C ATOM 683 C ARG A 43 4.550 -17.225 -28.895 1.00 54.11 C ATOM 684 O ARG A 43 4.784 -17.803 -29.957 1.00 53.30 O ATOM 685 CB ARG A 43 4.208 -18.833 -27.009 1.00 1.31 C ATOM 686 CG ARG A 43 4.961 -20.028 -26.448 1.00 13.01 C ATOM 687 CD ARG A 43 4.214 -21.328 -26.704 1.00 42.12 C ATOM 688 NE ARG A 43 2.871 -21.309 -26.131 1.00 12.33 N ATOM 689 CZ ARG A 43 1.901 -22.136 -26.505 1.00 35.35 C ATOM 690 NH1 ARG A 43 2.123 -23.042 -27.446 1.00 65.30 N ATOM 691 NH2 ARG A 43 0.705 -22.057 -25.935 1.00 31.12 N ATOM 0 H ARG A 43 4.610 -16.680 -25.848 1.00 25.10 H new ATOM 0 HA ARG A 43 6.105 -18.173 -27.773 1.00 34.20 H new ATOM 0 HB2 ARG A 43 3.591 -18.401 -26.221 1.00 1.31 H new ATOM 0 HB3 ARG A 43 3.532 -19.175 -27.792 1.00 1.31 H new ATOM 0 HG2 ARG A 43 5.951 -20.081 -26.901 1.00 13.01 H new ATOM 0 HG3 ARG A 43 5.108 -19.896 -25.376 1.00 13.01 H new ATOM 0 HD2 ARG A 43 4.148 -21.503 -27.778 1.00 42.12 H new ATOM 0 HD3 ARG A 43 4.777 -22.159 -26.280 1.00 42.12 H new ATOM 0 HE ARG A 43 2.667 -20.623 -25.404 1.00 12.33 H new ATOM 0 HH11 ARG A 43 3.041 -23.106 -27.886 1.00 65.30 H new ATOM 0 HH12 ARG A 43 1.376 -23.675 -27.731 1.00 65.30 H new ATOM 0 HH21 ARG A 43 0.531 -21.361 -25.210 1.00 31.12 H new ATOM 0 HH22 ARG A 43 -0.040 -22.692 -26.222 1.00 31.12 H new ATOM 705 N PHE A 44 3.799 -16.132 -28.817 1.00 20.15 N ATOM 706 CA PHE A 44 3.193 -15.534 -30.001 1.00 31.30 C ATOM 707 C PHE A 44 4.058 -14.400 -30.540 1.00 44.23 C ATOM 708 O PHE A 44 3.556 -13.461 -31.157 1.00 54.13 O ATOM 709 CB PHE A 44 1.792 -15.012 -29.674 1.00 2.23 C ATOM 710 CG PHE A 44 0.747 -16.089 -29.622 1.00 41.40 C ATOM 711 CD1 PHE A 44 0.830 -17.109 -28.689 1.00 11.14 C ATOM 712 CD2 PHE A 44 -0.318 -16.081 -30.508 1.00 33.01 C ATOM 713 CE1 PHE A 44 -0.131 -18.101 -28.638 1.00 63.43 C ATOM 714 CE2 PHE A 44 -1.283 -17.070 -30.462 1.00 63.50 C ATOM 715 CZ PHE A 44 -1.187 -18.082 -29.527 1.00 33.43 C ATOM 0 H PHE A 44 3.595 -15.642 -27.946 1.00 20.15 H new ATOM 0 HA PHE A 44 3.116 -16.304 -30.768 1.00 31.30 H new ATOM 0 HB2 PHE A 44 1.820 -14.498 -28.713 1.00 2.23 H new ATOM 0 HB3 PHE A 44 1.504 -14.274 -30.423 1.00 2.23 H new ATOM 0 HD1 PHE A 44 1.656 -17.130 -27.993 1.00 11.14 H new ATOM 0 HD2 PHE A 44 -0.395 -15.293 -31.243 1.00 33.01 H new ATOM 0 HE1 PHE A 44 -0.056 -18.890 -27.904 1.00 63.43 H new ATOM 0 HE2 PHE A 44 -2.110 -17.051 -31.156 1.00 63.50 H new ATOM 0 HZ PHE A 44 -1.937 -18.858 -29.491 1.00 33.43 H new ATOM 725 N ALA A 45 5.362 -14.494 -30.304 1.00 63.31 N ATOM 726 CA ALA A 45 6.299 -13.478 -30.767 1.00 44.03 C ATOM 727 C ALA A 45 6.026 -12.135 -30.100 1.00 51.13 C ATOM 728 O ALA A 45 6.417 -11.085 -30.611 1.00 23.43 O ATOM 729 CB ALA A 45 6.223 -13.342 -32.281 1.00 24.01 C ATOM 0 H ALA A 45 5.794 -15.265 -29.794 1.00 63.31 H new ATOM 0 HA ALA A 45 7.305 -13.794 -30.491 1.00 44.03 H new ATOM 0 HB1 ALA A 45 6.928 -12.580 -32.614 1.00 24.01 H new ATOM 0 HB2 ALA A 45 6.474 -14.296 -32.745 1.00 24.01 H new ATOM 0 HB3 ALA A 45 5.213 -13.053 -32.570 1.00 24.01 H new ATOM 735 N VAL A 46 5.351 -12.175 -28.956 1.00 33.04 N ATOM 736 CA VAL A 46 5.026 -10.960 -28.217 1.00 34.30 C ATOM 737 C VAL A 46 5.665 -10.970 -26.833 1.00 65.04 C ATOM 738 O VAL A 46 5.326 -11.797 -25.988 1.00 24.22 O ATOM 739 CB VAL A 46 3.503 -10.786 -28.065 1.00 64.13 C ATOM 740 CG1 VAL A 46 3.186 -9.536 -27.258 1.00 72.13 C ATOM 741 CG2 VAL A 46 2.835 -10.731 -29.431 1.00 71.44 C ATOM 0 H VAL A 46 5.018 -13.035 -28.520 1.00 33.04 H new ATOM 0 HA VAL A 46 5.425 -10.124 -28.792 1.00 34.30 H new ATOM 0 HB VAL A 46 3.108 -11.647 -27.526 1.00 64.13 H new ATOM 0 HG11 VAL A 46 2.106 -9.430 -27.161 1.00 72.13 H new ATOM 0 HG12 VAL A 46 3.633 -9.620 -26.267 1.00 72.13 H new ATOM 0 HG13 VAL A 46 3.592 -8.662 -27.767 1.00 72.13 H new ATOM 0 HG21 VAL A 46 1.759 -10.608 -29.305 1.00 71.44 H new ATOM 0 HG22 VAL A 46 3.233 -9.889 -29.997 1.00 71.44 H new ATOM 0 HG23 VAL A 46 3.034 -11.657 -29.971 1.00 71.44 H new ATOM 751 N ASN A 47 6.592 -10.045 -26.609 1.00 24.21 N ATOM 752 CA ASN A 47 7.280 -9.947 -25.326 1.00 65.13 C ATOM 753 C ASN A 47 6.291 -9.669 -24.198 1.00 65.20 C ATOM 754 O ASN A 47 5.305 -8.951 -24.366 1.00 43.54 O ATOM 755 CB ASN A 47 8.339 -8.844 -25.375 1.00 0.20 C ATOM 756 CG ASN A 47 9.395 -9.101 -26.432 1.00 44.15 C ATOM 757 OD1 ASN A 47 9.648 -10.247 -26.805 1.00 43.03 O ATOM 758 ND2 ASN A 47 10.017 -8.035 -26.920 1.00 4.23 N ATOM 0 H ASN A 47 6.884 -9.353 -27.298 1.00 24.21 H new ATOM 0 HA ASN A 47 7.768 -10.902 -25.130 1.00 65.13 H new ATOM 0 HB2 ASN A 47 7.855 -7.888 -25.575 1.00 0.20 H new ATOM 0 HB3 ASN A 47 8.818 -8.761 -24.400 1.00 0.20 H new ATOM 0 HD21 ASN A 47 10.737 -8.147 -27.634 1.00 4.23 H new ATOM 0 HD22 ASN A 47 9.775 -7.104 -26.581 1.00 4.23 H new ATOM 765 N PRO A 48 6.559 -10.250 -23.020 1.00 24.42 N ATOM 766 CA PRO A 48 5.707 -10.079 -21.840 1.00 0.31 C ATOM 767 C PRO A 48 5.780 -8.666 -21.272 1.00 3.33 C ATOM 768 O PRO A 48 4.971 -8.283 -20.428 1.00 73.24 O ATOM 769 CB PRO A 48 6.277 -11.088 -20.841 1.00 21.05 C ATOM 770 CG PRO A 48 7.697 -11.267 -21.251 1.00 3.13 C ATOM 771 CD PRO A 48 7.718 -11.118 -22.748 1.00 20.45 C ATOM 0 HA PRO A 48 4.654 -10.237 -22.072 1.00 0.31 H new ATOM 0 HB2 PRO A 48 6.204 -10.717 -19.819 1.00 21.05 H new ATOM 0 HB3 PRO A 48 5.733 -12.032 -20.877 1.00 21.05 H new ATOM 0 HG2 PRO A 48 8.337 -10.524 -20.776 1.00 3.13 H new ATOM 0 HG3 PRO A 48 8.069 -12.247 -20.951 1.00 3.13 H new ATOM 0 HD2 PRO A 48 8.648 -10.667 -23.094 1.00 20.45 H new ATOM 0 HD3 PRO A 48 7.625 -12.081 -23.249 1.00 20.45 H new ATOM 779 N GLY A 49 6.756 -7.894 -21.740 1.00 23.23 N ATOM 780 CA GLY A 49 6.917 -6.532 -21.266 1.00 54.34 C ATOM 781 C GLY A 49 5.771 -5.632 -21.688 1.00 72.54 C ATOM 782 O GLY A 49 5.590 -4.545 -21.138 1.00 65.21 O ATOM 0 H GLY A 49 7.438 -8.188 -22.439 1.00 23.23 H new ATOM 0 HA2 GLY A 49 6.991 -6.535 -20.179 1.00 54.34 H new ATOM 0 HA3 GLY A 49 7.854 -6.126 -21.648 1.00 54.34 H new ATOM 786 N LEU A 50 4.995 -6.086 -22.667 1.00 73.10 N ATOM 787 CA LEU A 50 3.860 -5.314 -23.163 1.00 22.13 C ATOM 788 C LEU A 50 2.700 -5.356 -22.174 1.00 52.34 C ATOM 789 O LEU A 50 1.856 -4.458 -22.152 1.00 61.22 O ATOM 790 CB LEU A 50 3.408 -5.851 -24.522 1.00 23.31 C ATOM 791 CG LEU A 50 4.488 -5.937 -25.602 1.00 32.03 C ATOM 792 CD1 LEU A 50 3.895 -6.436 -26.910 1.00 53.31 C ATOM 793 CD2 LEU A 50 5.154 -4.582 -25.799 1.00 52.21 C ATOM 0 H LEU A 50 5.131 -6.983 -23.132 1.00 73.10 H new ATOM 0 HA LEU A 50 4.178 -4.278 -23.277 1.00 22.13 H new ATOM 0 HB2 LEU A 50 2.988 -6.846 -24.376 1.00 23.31 H new ATOM 0 HB3 LEU A 50 2.602 -5.216 -24.891 1.00 23.31 H new ATOM 0 HG LEU A 50 5.246 -6.649 -25.275 1.00 32.03 H new ATOM 0 HD11 LEU A 50 4.678 -6.491 -27.667 1.00 53.31 H new ATOM 0 HD12 LEU A 50 3.465 -7.426 -26.760 1.00 53.31 H new ATOM 0 HD13 LEU A 50 3.117 -5.749 -27.242 1.00 53.31 H new ATOM 0 HD21 LEU A 50 5.920 -4.662 -26.571 1.00 52.21 H new ATOM 0 HD22 LEU A 50 4.406 -3.850 -26.104 1.00 52.21 H new ATOM 0 HD23 LEU A 50 5.614 -4.263 -24.864 1.00 52.21 H new ATOM 805 N LEU A 51 2.662 -6.404 -21.358 1.00 51.52 N ATOM 806 CA LEU A 51 1.605 -6.562 -20.366 1.00 31.42 C ATOM 807 C LEU A 51 1.634 -5.423 -19.352 1.00 52.52 C ATOM 808 O LEU A 51 0.616 -5.098 -18.742 1.00 32.32 O ATOM 809 CB LEU A 51 1.752 -7.904 -19.645 1.00 43.02 C ATOM 810 CG LEU A 51 1.413 -9.148 -20.467 1.00 52.41 C ATOM 811 CD1 LEU A 51 1.584 -10.405 -19.628 1.00 21.30 C ATOM 812 CD2 LEU A 51 -0.005 -9.057 -21.011 1.00 42.41 C ATOM 0 H LEU A 51 3.351 -7.156 -21.364 1.00 51.52 H new ATOM 0 HA LEU A 51 0.647 -6.537 -20.886 1.00 31.42 H new ATOM 0 HB2 LEU A 51 2.780 -7.994 -19.294 1.00 43.02 H new ATOM 0 HB3 LEU A 51 1.113 -7.891 -18.762 1.00 43.02 H new ATOM 0 HG LEU A 51 2.102 -9.202 -21.310 1.00 52.41 H new ATOM 0 HD11 LEU A 51 1.338 -11.280 -20.230 1.00 21.30 H new ATOM 0 HD12 LEU A 51 2.617 -10.477 -19.287 1.00 21.30 H new ATOM 0 HD13 LEU A 51 0.920 -10.360 -18.765 1.00 21.30 H new ATOM 0 HD21 LEU A 51 -0.229 -9.951 -21.593 1.00 42.41 H new ATOM 0 HD22 LEU A 51 -0.708 -8.978 -20.182 1.00 42.41 H new ATOM 0 HD23 LEU A 51 -0.095 -8.177 -21.648 1.00 42.41 H new ATOM 824 N GLU A 52 2.805 -4.818 -19.182 1.00 64.54 N ATOM 825 CA GLU A 52 2.965 -3.713 -18.245 1.00 34.53 C ATOM 826 C GLU A 52 2.934 -2.372 -18.972 1.00 40.34 C ATOM 827 O GLU A 52 3.485 -1.380 -18.495 1.00 12.54 O ATOM 828 CB GLU A 52 4.278 -3.856 -17.472 1.00 41.22 C ATOM 829 CG GLU A 52 5.514 -3.756 -18.350 1.00 3.11 C ATOM 830 CD GLU A 52 6.764 -3.415 -17.561 1.00 63.13 C ATOM 831 OE1 GLU A 52 6.875 -3.866 -16.402 1.00 5.13 O ATOM 832 OE2 GLU A 52 7.630 -2.699 -18.104 1.00 44.33 O ATOM 0 H GLU A 52 3.657 -5.075 -19.681 1.00 64.54 H new ATOM 0 HA GLU A 52 2.132 -3.744 -17.542 1.00 34.53 H new ATOM 0 HB2 GLU A 52 4.324 -3.083 -16.704 1.00 41.22 H new ATOM 0 HB3 GLU A 52 4.284 -4.817 -16.958 1.00 41.22 H new ATOM 0 HG2 GLU A 52 5.664 -4.702 -18.869 1.00 3.11 H new ATOM 0 HG3 GLU A 52 5.352 -2.995 -19.114 1.00 3.11 H new ATOM 839 N THR A 53 2.286 -2.350 -20.133 1.00 74.45 N ATOM 840 CA THR A 53 2.183 -1.134 -20.929 1.00 72.31 C ATOM 841 C THR A 53 0.755 -0.911 -21.412 1.00 34.14 C ATOM 842 O THR A 53 0.169 -1.773 -22.067 1.00 13.11 O ATOM 843 CB THR A 53 3.123 -1.180 -22.149 1.00 21.43 C ATOM 844 OG1 THR A 53 2.616 -2.098 -23.123 1.00 63.14 O ATOM 845 CG2 THR A 53 4.526 -1.594 -21.734 1.00 65.41 C ATOM 0 H THR A 53 1.824 -3.162 -20.543 1.00 74.45 H new ATOM 0 HA THR A 53 2.478 -0.308 -20.282 1.00 72.31 H new ATOM 0 HB THR A 53 3.170 -0.181 -22.583 1.00 21.43 H new ATOM 0 HG1 THR A 53 2.216 -2.869 -22.669 1.00 63.14 H new ATOM 0 HG21 THR A 53 5.172 -1.620 -22.611 1.00 65.41 H new ATOM 0 HG22 THR A 53 4.919 -0.876 -21.014 1.00 65.41 H new ATOM 0 HG23 THR A 53 4.493 -2.584 -21.278 1.00 65.41 H new ATOM 853 N SER A 54 0.199 0.251 -21.083 1.00 75.00 N ATOM 854 CA SER A 54 -1.164 0.586 -21.481 1.00 20.11 C ATOM 855 C SER A 54 -1.320 0.520 -22.997 1.00 65.01 C ATOM 856 O SER A 54 -2.422 0.340 -23.511 1.00 75.43 O ATOM 857 CB SER A 54 -1.535 1.983 -20.980 1.00 31.32 C ATOM 858 OG SER A 54 -1.426 2.943 -22.016 1.00 2.12 O ATOM 0 H SER A 54 0.671 0.976 -20.542 1.00 75.00 H new ATOM 0 HA SER A 54 -1.837 -0.145 -21.032 1.00 20.11 H new ATOM 0 HB2 SER A 54 -2.554 1.975 -20.593 1.00 31.32 H new ATOM 0 HB3 SER A 54 -0.882 2.261 -20.152 1.00 31.32 H new ATOM 0 HG SER A 54 -1.670 3.827 -21.670 1.00 2.12 H new ATOM 864 N GLU A 55 -0.205 0.667 -23.706 1.00 43.55 N ATOM 865 CA GLU A 55 -0.217 0.626 -25.164 1.00 54.25 C ATOM 866 C GLU A 55 -0.145 -0.813 -25.668 1.00 54.02 C ATOM 867 O GLU A 55 -0.900 -1.211 -26.555 1.00 24.04 O ATOM 868 CB GLU A 55 0.953 1.433 -25.730 1.00 12.33 C ATOM 869 CG GLU A 55 0.524 2.541 -26.678 1.00 1.14 C ATOM 870 CD GLU A 55 1.452 2.681 -27.870 1.00 75.41 C ATOM 871 OE1 GLU A 55 1.783 1.647 -28.488 1.00 31.53 O ATOM 872 OE2 GLU A 55 1.845 3.823 -28.185 1.00 23.31 O ATOM 0 H GLU A 55 0.717 0.815 -23.295 1.00 43.55 H new ATOM 0 HA GLU A 55 -1.153 1.068 -25.506 1.00 54.25 H new ATOM 0 HB2 GLU A 55 1.516 1.870 -24.905 1.00 12.33 H new ATOM 0 HB3 GLU A 55 1.629 0.758 -26.255 1.00 12.33 H new ATOM 0 HG2 GLU A 55 -0.487 2.340 -27.031 1.00 1.14 H new ATOM 0 HG3 GLU A 55 0.491 3.486 -26.135 1.00 1.14 H new ATOM 879 N GLY A 56 0.768 -1.591 -25.093 1.00 53.44 N ATOM 880 CA GLY A 56 0.923 -2.976 -25.497 1.00 34.04 C ATOM 881 C GLY A 56 -0.322 -3.799 -25.231 1.00 32.43 C ATOM 882 O GLY A 56 -0.809 -4.504 -26.116 1.00 35.04 O ATOM 0 H GLY A 56 1.403 -1.286 -24.355 1.00 53.44 H new ATOM 0 HA2 GLY A 56 1.162 -3.017 -26.560 1.00 34.04 H new ATOM 0 HA3 GLY A 56 1.766 -3.415 -24.964 1.00 34.04 H new ATOM 886 N CYS A 57 -0.837 -3.712 -24.009 1.00 71.03 N ATOM 887 CA CYS A 57 -2.032 -4.458 -23.629 1.00 23.12 C ATOM 888 C CYS A 57 -3.162 -4.219 -24.625 1.00 34.23 C ATOM 889 O CYS A 57 -3.989 -5.100 -24.863 1.00 3.33 O ATOM 890 CB CYS A 57 -2.481 -4.057 -22.222 1.00 51.42 C ATOM 891 SG CYS A 57 -2.248 -5.347 -20.977 1.00 71.42 S ATOM 0 H CYS A 57 -0.446 -3.133 -23.265 1.00 71.03 H new ATOM 0 HA CYS A 57 -1.786 -5.520 -23.636 1.00 23.12 H new ATOM 0 HB2 CYS A 57 -1.930 -3.168 -21.916 1.00 51.42 H new ATOM 0 HB3 CYS A 57 -3.536 -3.783 -22.253 1.00 51.42 H new ATOM 0 HG CYS A 57 -1.193 -5.079 -20.267 1.00 71.42 H new ATOM 897 N ARG A 58 -3.192 -3.023 -25.202 1.00 12.00 N ATOM 898 CA ARG A 58 -4.223 -2.667 -26.169 1.00 52.25 C ATOM 899 C ARG A 58 -3.956 -3.331 -27.517 1.00 44.42 C ATOM 900 O ARG A 58 -4.870 -3.852 -28.155 1.00 20.40 O ATOM 901 CB ARG A 58 -4.290 -1.148 -26.341 1.00 22.02 C ATOM 902 CG ARG A 58 -5.638 -0.650 -26.836 1.00 63.04 C ATOM 903 CD ARG A 58 -5.539 -0.089 -28.246 1.00 44.44 C ATOM 904 NE ARG A 58 -5.562 1.371 -28.259 1.00 35.00 N ATOM 905 CZ ARG A 58 -6.641 2.092 -27.973 1.00 74.42 C ATOM 906 NH1 ARG A 58 -7.779 1.489 -27.655 1.00 53.22 N ATOM 907 NH2 ARG A 58 -6.584 3.416 -28.005 1.00 25.13 N ATOM 0 H ARG A 58 -2.514 -2.284 -25.017 1.00 12.00 H new ATOM 0 HA ARG A 58 -5.180 -3.025 -25.790 1.00 52.25 H new ATOM 0 HB2 ARG A 58 -4.065 -0.672 -25.386 1.00 22.02 H new ATOM 0 HB3 ARG A 58 -3.517 -0.836 -27.043 1.00 22.02 H new ATOM 0 HG2 ARG A 58 -6.359 -1.468 -26.818 1.00 63.04 H new ATOM 0 HG3 ARG A 58 -6.013 0.120 -26.162 1.00 63.04 H new ATOM 0 HD2 ARG A 58 -4.619 -0.441 -28.712 1.00 44.44 H new ATOM 0 HD3 ARG A 58 -6.366 -0.470 -28.846 1.00 44.44 H new ATOM 0 HE ARG A 58 -4.703 1.864 -28.501 1.00 35.00 H new ATOM 0 HH11 ARG A 58 -7.827 0.470 -27.630 1.00 53.22 H new ATOM 0 HH12 ARG A 58 -8.606 2.044 -27.436 1.00 53.22 H new ATOM 0 HH21 ARG A 58 -5.711 3.883 -28.249 1.00 25.13 H new ATOM 0 HH22 ARG A 58 -7.413 3.968 -27.785 1.00 25.13 H new ATOM 921 N GLN A 59 -2.697 -3.305 -27.944 1.00 31.21 N ATOM 922 CA GLN A 59 -2.310 -3.902 -29.216 1.00 41.25 C ATOM 923 C GLN A 59 -2.549 -5.409 -29.205 1.00 13.22 C ATOM 924 O GLN A 59 -3.097 -5.967 -30.157 1.00 34.15 O ATOM 925 CB GLN A 59 -0.839 -3.610 -29.515 1.00 22.52 C ATOM 926 CG GLN A 59 -0.462 -3.809 -30.974 1.00 34.11 C ATOM 927 CD GLN A 59 -0.981 -2.698 -31.866 1.00 61.22 C ATOM 928 OE1 GLN A 59 -2.097 -2.771 -32.380 1.00 52.23 O ATOM 929 NE2 GLN A 59 -0.171 -1.663 -32.055 1.00 52.10 N ATOM 0 H GLN A 59 -1.929 -2.877 -27.428 1.00 31.21 H new ATOM 0 HA GLN A 59 -2.927 -3.460 -29.998 1.00 41.25 H new ATOM 0 HB2 GLN A 59 -0.616 -2.582 -29.228 1.00 22.52 H new ATOM 0 HB3 GLN A 59 -0.216 -4.256 -28.896 1.00 22.52 H new ATOM 0 HG2 GLN A 59 0.623 -3.863 -31.061 1.00 34.11 H new ATOM 0 HG3 GLN A 59 -0.858 -4.764 -31.321 1.00 34.11 H new ATOM 0 HE21 GLN A 59 0.746 -1.645 -31.609 1.00 52.10 H new ATOM 0 HE22 GLN A 59 -0.466 -0.886 -32.646 1.00 52.10 H new ATOM 938 N ILE A 60 -2.135 -6.061 -28.125 1.00 31.55 N ATOM 939 CA ILE A 60 -2.306 -7.502 -27.990 1.00 2.21 C ATOM 940 C ILE A 60 -3.761 -7.906 -28.203 1.00 44.32 C ATOM 941 O ILE A 60 -4.047 -8.948 -28.796 1.00 30.41 O ATOM 942 CB ILE A 60 -1.845 -7.998 -26.606 1.00 13.44 C ATOM 943 CG1 ILE A 60 -0.378 -7.636 -26.374 1.00 65.53 C ATOM 944 CG2 ILE A 60 -2.053 -9.499 -26.485 1.00 13.21 C ATOM 945 CD1 ILE A 60 0.033 -7.681 -24.918 1.00 51.41 C ATOM 0 H ILE A 60 -1.678 -5.614 -27.330 1.00 31.55 H new ATOM 0 HA ILE A 60 -1.686 -7.965 -28.758 1.00 2.21 H new ATOM 0 HB ILE A 60 -2.446 -7.506 -25.841 1.00 13.44 H new ATOM 0 HG12 ILE A 60 0.251 -8.321 -26.942 1.00 65.53 H new ATOM 0 HG13 ILE A 60 -0.193 -6.635 -26.765 1.00 65.53 H new ATOM 0 HG21 ILE A 60 -1.723 -9.834 -25.502 1.00 13.21 H new ATOM 0 HG22 ILE A 60 -3.111 -9.731 -26.611 1.00 13.21 H new ATOM 0 HG23 ILE A 60 -1.475 -10.010 -27.255 1.00 13.21 H new ATOM 0 HD11 ILE A 60 1.086 -7.413 -24.829 1.00 51.41 H new ATOM 0 HD12 ILE A 60 -0.571 -6.975 -24.348 1.00 51.41 H new ATOM 0 HD13 ILE A 60 -0.120 -8.687 -24.528 1.00 51.41 H new ATOM 957 N LEU A 61 -4.676 -7.074 -27.721 1.00 74.12 N ATOM 958 CA LEU A 61 -6.104 -7.343 -27.860 1.00 2.30 C ATOM 959 C LEU A 61 -6.554 -7.160 -29.306 1.00 45.13 C ATOM 960 O LEU A 61 -7.534 -7.761 -29.743 1.00 2.54 O ATOM 961 CB LEU A 61 -6.909 -6.420 -26.943 1.00 63.03 C ATOM 962 CG LEU A 61 -6.650 -6.572 -25.444 1.00 11.51 C ATOM 963 CD1 LEU A 61 -7.093 -5.323 -24.698 1.00 21.53 C ATOM 964 CD2 LEU A 61 -7.364 -7.801 -24.902 1.00 23.50 C ATOM 0 H LEU A 61 -4.456 -6.207 -27.230 1.00 74.12 H new ATOM 0 HA LEU A 61 -6.283 -8.379 -27.571 1.00 2.30 H new ATOM 0 HB2 LEU A 61 -6.700 -5.388 -27.225 1.00 63.03 H new ATOM 0 HB3 LEU A 61 -7.969 -6.592 -27.128 1.00 63.03 H new ATOM 0 HG LEU A 61 -5.579 -6.702 -25.290 1.00 11.51 H new ATOM 0 HD11 LEU A 61 -6.901 -5.449 -23.632 1.00 21.53 H new ATOM 0 HD12 LEU A 61 -6.537 -4.462 -25.068 1.00 21.53 H new ATOM 0 HD13 LEU A 61 -8.159 -5.162 -24.858 1.00 21.53 H new ATOM 0 HD21 LEU A 61 -7.169 -7.894 -23.834 1.00 23.50 H new ATOM 0 HD22 LEU A 61 -8.437 -7.701 -25.067 1.00 23.50 H new ATOM 0 HD23 LEU A 61 -6.999 -8.690 -25.416 1.00 23.50 H new ATOM 976 N GLY A 62 -5.826 -6.327 -30.046 1.00 13.34 N ATOM 977 CA GLY A 62 -6.165 -6.081 -31.436 1.00 74.45 C ATOM 978 C GLY A 62 -5.960 -7.305 -32.307 1.00 51.45 C ATOM 979 O GLY A 62 -6.540 -7.409 -33.387 1.00 4.41 O ATOM 0 H GLY A 62 -5.009 -5.819 -29.708 1.00 13.34 H new ATOM 0 HA2 GLY A 62 -7.205 -5.761 -31.502 1.00 74.45 H new ATOM 0 HA3 GLY A 62 -5.555 -5.262 -31.816 1.00 74.45 H new ATOM 983 N GLN A 63 -5.132 -8.232 -31.838 1.00 33.02 N ATOM 984 CA GLN A 63 -4.850 -9.453 -32.583 1.00 1.31 C ATOM 985 C GLN A 63 -5.800 -10.573 -32.172 1.00 24.43 C ATOM 986 O GLN A 63 -6.255 -11.354 -33.008 1.00 64.12 O ATOM 987 CB GLN A 63 -3.401 -9.888 -32.361 1.00 63.12 C ATOM 988 CG GLN A 63 -2.472 -9.517 -33.505 1.00 44.04 C ATOM 989 CD GLN A 63 -2.036 -8.067 -33.456 1.00 1.33 C ATOM 990 OE1 GLN A 63 -2.846 -7.170 -33.221 1.00 31.04 O ATOM 991 NE2 GLN A 63 -0.748 -7.827 -33.679 1.00 33.52 N ATOM 0 H GLN A 63 -4.644 -8.161 -30.945 1.00 33.02 H new ATOM 0 HA GLN A 63 -5.000 -9.245 -33.642 1.00 1.31 H new ATOM 0 HB2 GLN A 63 -3.031 -9.434 -31.442 1.00 63.12 H new ATOM 0 HB3 GLN A 63 -3.373 -10.968 -32.217 1.00 63.12 H new ATOM 0 HG2 GLN A 63 -1.591 -10.158 -33.475 1.00 44.04 H new ATOM 0 HG3 GLN A 63 -2.974 -9.709 -34.453 1.00 44.04 H new ATOM 0 HE21 GLN A 63 -0.111 -8.600 -33.870 1.00 33.52 H new ATOM 0 HE22 GLN A 63 -0.397 -6.870 -33.659 1.00 33.52 H new ATOM 1000 N LEU A 64 -6.094 -10.647 -30.879 1.00 32.24 N ATOM 1001 CA LEU A 64 -6.989 -11.673 -30.355 1.00 40.50 C ATOM 1002 C LEU A 64 -8.447 -11.315 -30.630 1.00 30.12 C ATOM 1003 O LEU A 64 -9.305 -12.193 -30.716 1.00 2.21 O ATOM 1004 CB LEU A 64 -6.771 -11.850 -28.852 1.00 31.22 C ATOM 1005 CG LEU A 64 -5.320 -12.022 -28.400 1.00 51.44 C ATOM 1006 CD1 LEU A 64 -5.229 -12.019 -26.883 1.00 23.24 C ATOM 1007 CD2 LEU A 64 -4.733 -13.306 -28.969 1.00 72.31 C ATOM 0 H LEU A 64 -5.726 -10.009 -30.174 1.00 32.24 H new ATOM 0 HA LEU A 64 -6.762 -12.611 -30.861 1.00 40.50 H new ATOM 0 HB2 LEU A 64 -7.190 -10.984 -28.340 1.00 31.22 H new ATOM 0 HB3 LEU A 64 -7.339 -12.720 -28.523 1.00 31.22 H new ATOM 0 HG LEU A 64 -4.740 -11.181 -28.779 1.00 51.44 H new ATOM 0 HD11 LEU A 64 -4.189 -12.142 -26.581 1.00 23.24 H new ATOM 0 HD12 LEU A 64 -5.609 -11.073 -26.498 1.00 23.24 H new ATOM 0 HD13 LEU A 64 -5.824 -12.839 -26.481 1.00 23.24 H new ATOM 0 HD21 LEU A 64 -3.700 -13.412 -28.637 1.00 72.31 H new ATOM 0 HD22 LEU A 64 -5.316 -14.158 -28.620 1.00 72.31 H new ATOM 0 HD23 LEU A 64 -4.762 -13.268 -30.058 1.00 72.31 H new ATOM 1019 N GLN A 65 -8.718 -10.021 -30.767 1.00 42.24 N ATOM 1020 CA GLN A 65 -10.071 -9.549 -31.034 1.00 33.12 C ATOM 1021 C GLN A 65 -10.677 -10.277 -32.228 1.00 42.45 C ATOM 1022 O GLN A 65 -11.689 -10.970 -32.117 1.00 23.15 O ATOM 1023 CB GLN A 65 -10.066 -8.041 -31.290 1.00 21.14 C ATOM 1024 CG GLN A 65 -10.618 -7.225 -30.132 1.00 65.41 C ATOM 1025 CD GLN A 65 -11.143 -5.871 -30.569 1.00 62.43 C ATOM 1026 OE1 GLN A 65 -10.579 -5.231 -31.456 1.00 44.21 O ATOM 1027 NE2 GLN A 65 -12.230 -5.430 -29.948 1.00 14.40 N ATOM 0 H GLN A 65 -8.019 -9.282 -30.698 1.00 42.24 H new ATOM 0 HA GLN A 65 -10.682 -9.760 -30.156 1.00 33.12 H new ATOM 0 HB2 GLN A 65 -9.045 -7.719 -31.496 1.00 21.14 H new ATOM 0 HB3 GLN A 65 -10.653 -7.831 -32.184 1.00 21.14 H new ATOM 0 HG2 GLN A 65 -11.420 -7.783 -29.650 1.00 65.41 H new ATOM 0 HG3 GLN A 65 -9.835 -7.084 -29.387 1.00 65.41 H new ATOM 0 HE21 GLN A 65 -12.665 -5.994 -29.218 1.00 14.40 H new ATOM 0 HE22 GLN A 65 -12.631 -4.527 -30.201 1.00 14.40 H new ATOM 1036 N PRO A 66 -10.045 -10.120 -33.401 1.00 45.42 N ATOM 1037 CA PRO A 66 -10.504 -10.755 -34.639 1.00 64.03 C ATOM 1038 C PRO A 66 -10.304 -12.266 -34.624 1.00 50.31 C ATOM 1039 O PRO A 66 -10.898 -12.988 -35.426 1.00 64.54 O ATOM 1040 CB PRO A 66 -9.626 -10.110 -35.716 1.00 71.23 C ATOM 1041 CG PRO A 66 -8.393 -9.687 -34.995 1.00 64.22 C ATOM 1042 CD PRO A 66 -8.833 -9.308 -33.608 1.00 30.53 C ATOM 0 HA PRO A 66 -11.573 -10.611 -34.798 1.00 64.03 H new ATOM 0 HB2 PRO A 66 -9.396 -10.816 -36.514 1.00 71.23 H new ATOM 0 HB3 PRO A 66 -10.127 -9.259 -36.178 1.00 71.23 H new ATOM 0 HG2 PRO A 66 -7.662 -10.495 -34.965 1.00 64.22 H new ATOM 0 HG3 PRO A 66 -7.917 -8.845 -35.497 1.00 64.22 H new ATOM 0 HD2 PRO A 66 -8.066 -9.534 -32.867 1.00 30.53 H new ATOM 0 HD3 PRO A 66 -9.046 -8.242 -33.531 1.00 30.53 H new ATOM 1050 N SER A 67 -9.467 -12.738 -33.707 1.00 60.42 N ATOM 1051 CA SER A 67 -9.186 -14.165 -33.589 1.00 45.42 C ATOM 1052 C SER A 67 -9.929 -14.769 -32.401 1.00 50.20 C ATOM 1053 O SER A 67 -9.498 -15.770 -31.829 1.00 30.14 O ATOM 1054 CB SER A 67 -7.682 -14.400 -33.438 1.00 43.22 C ATOM 1055 OG SER A 67 -6.952 -13.678 -34.415 1.00 11.14 O ATOM 0 H SER A 67 -8.971 -12.154 -33.034 1.00 60.42 H new ATOM 0 HA SER A 67 -9.533 -14.655 -34.499 1.00 45.42 H new ATOM 0 HB2 SER A 67 -7.362 -14.096 -32.442 1.00 43.22 H new ATOM 0 HB3 SER A 67 -7.466 -15.464 -33.531 1.00 43.22 H new ATOM 0 HG SER A 67 -6.650 -12.827 -34.035 1.00 11.14 H new ATOM 1061 N LEU A 68 -11.048 -14.152 -32.037 1.00 22.45 N ATOM 1062 CA LEU A 68 -11.853 -14.628 -30.916 1.00 4.35 C ATOM 1063 C LEU A 68 -12.725 -15.805 -31.335 1.00 75.11 C ATOM 1064 O LEU A 68 -12.968 -16.721 -30.548 1.00 3.24 O ATOM 1065 CB LEU A 68 -12.728 -13.496 -30.375 1.00 1.14 C ATOM 1066 CG LEU A 68 -12.171 -12.733 -29.173 1.00 35.14 C ATOM 1067 CD1 LEU A 68 -12.916 -11.420 -28.981 1.00 74.04 C ATOM 1068 CD2 LEU A 68 -12.256 -13.585 -27.914 1.00 44.42 C ATOM 0 H LEU A 68 -11.418 -13.322 -32.501 1.00 22.45 H new ATOM 0 HA LEU A 68 -11.177 -14.963 -30.130 1.00 4.35 H new ATOM 0 HB2 LEU A 68 -12.906 -12.784 -31.181 1.00 1.14 H new ATOM 0 HB3 LEU A 68 -13.696 -13.913 -30.098 1.00 1.14 H new ATOM 0 HG LEU A 68 -11.122 -12.507 -29.365 1.00 35.14 H new ATOM 0 HD11 LEU A 68 -12.505 -10.891 -28.121 1.00 74.04 H new ATOM 0 HD12 LEU A 68 -12.804 -10.804 -29.873 1.00 74.04 H new ATOM 0 HD13 LEU A 68 -13.973 -11.623 -28.811 1.00 74.04 H new ATOM 0 HD21 LEU A 68 -11.855 -13.026 -27.069 1.00 44.42 H new ATOM 0 HD22 LEU A 68 -13.297 -13.842 -27.718 1.00 44.42 H new ATOM 0 HD23 LEU A 68 -11.677 -14.498 -28.053 1.00 44.42 H new ATOM 1080 N GLN A 69 -13.194 -15.777 -32.578 1.00 5.15 N ATOM 1081 CA GLN A 69 -14.039 -16.844 -33.101 1.00 10.32 C ATOM 1082 C GLN A 69 -13.203 -18.054 -33.502 1.00 44.01 C ATOM 1083 O GLN A 69 -13.507 -19.186 -33.124 1.00 22.31 O ATOM 1084 CB GLN A 69 -14.843 -16.344 -34.302 1.00 10.34 C ATOM 1085 CG GLN A 69 -16.271 -16.864 -34.337 1.00 53.53 C ATOM 1086 CD GLN A 69 -17.299 -15.749 -34.365 1.00 65.43 C ATOM 1087 OE1 GLN A 69 -18.188 -15.690 -33.516 1.00 12.02 O ATOM 1088 NE2 GLN A 69 -17.181 -14.859 -35.342 1.00 63.11 N ATOM 0 H GLN A 69 -13.003 -15.027 -33.242 1.00 5.15 H new ATOM 0 HA GLN A 69 -14.728 -17.147 -32.312 1.00 10.32 H new ATOM 0 HB2 GLN A 69 -14.862 -15.254 -34.288 1.00 10.34 H new ATOM 0 HB3 GLN A 69 -14.334 -16.642 -35.219 1.00 10.34 H new ATOM 0 HG2 GLN A 69 -16.402 -17.496 -35.216 1.00 53.53 H new ATOM 0 HG3 GLN A 69 -16.446 -17.492 -33.464 1.00 53.53 H new ATOM 0 HE21 GLN A 69 -16.428 -14.947 -36.024 1.00 63.11 H new ATOM 0 HE22 GLN A 69 -17.843 -14.086 -35.411 1.00 63.11 H new ATOM 1097 N THR A 70 -12.146 -17.808 -34.271 1.00 30.15 N ATOM 1098 CA THR A 70 -11.266 -18.878 -34.724 1.00 1.54 C ATOM 1099 C THR A 70 -10.328 -19.329 -33.610 1.00 14.34 C ATOM 1100 O THR A 70 -9.913 -20.485 -33.566 1.00 23.50 O ATOM 1101 CB THR A 70 -10.427 -18.437 -35.938 1.00 43.04 C ATOM 1102 OG1 THR A 70 -11.112 -17.407 -36.660 1.00 24.10 O ATOM 1103 CG2 THR A 70 -10.153 -19.614 -36.863 1.00 52.34 C ATOM 0 H THR A 70 -11.879 -16.878 -34.593 1.00 30.15 H new ATOM 0 HA THR A 70 -11.906 -19.711 -35.015 1.00 1.54 H new ATOM 0 HB THR A 70 -9.475 -18.052 -35.572 1.00 43.04 H new ATOM 0 HG1 THR A 70 -10.571 -17.131 -37.429 1.00 24.10 H new ATOM 0 HG21 THR A 70 -9.559 -19.278 -37.713 1.00 52.34 H new ATOM 0 HG22 THR A 70 -9.606 -20.384 -36.320 1.00 52.34 H new ATOM 0 HG23 THR A 70 -11.098 -20.024 -37.220 1.00 52.34 H new ATOM 1111 N GLY A 71 -9.999 -18.406 -32.711 1.00 31.55 N ATOM 1112 CA GLY A 71 -9.113 -18.729 -31.607 1.00 11.11 C ATOM 1113 C GLY A 71 -9.590 -19.928 -30.812 1.00 51.02 C ATOM 1114 O GLY A 71 -10.726 -20.376 -30.972 1.00 43.50 O ATOM 0 H GLY A 71 -10.330 -17.441 -32.727 1.00 31.55 H new ATOM 0 HA2 GLY A 71 -8.113 -18.928 -31.994 1.00 11.11 H new ATOM 0 HA3 GLY A 71 -9.033 -17.867 -30.945 1.00 11.11 H new ATOM 1118 N SER A 72 -8.720 -20.452 -29.954 1.00 11.31 N ATOM 1119 CA SER A 72 -9.057 -21.610 -29.134 1.00 44.43 C ATOM 1120 C SER A 72 -9.171 -21.220 -27.664 1.00 73.52 C ATOM 1121 O SER A 72 -9.080 -20.044 -27.315 1.00 34.55 O ATOM 1122 CB SER A 72 -8.001 -22.705 -29.304 1.00 34.11 C ATOM 1123 OG SER A 72 -6.904 -22.493 -28.433 1.00 73.43 O ATOM 0 H SER A 72 -7.776 -20.093 -29.809 1.00 11.31 H new ATOM 0 HA SER A 72 -10.023 -21.992 -29.466 1.00 44.43 H new ATOM 0 HB2 SER A 72 -8.447 -23.679 -29.103 1.00 34.11 H new ATOM 0 HB3 SER A 72 -7.652 -22.721 -30.337 1.00 34.11 H new ATOM 0 HG SER A 72 -6.244 -23.206 -28.559 1.00 73.43 H new ATOM 1129 N GLU A 73 -9.372 -22.217 -26.808 1.00 73.33 N ATOM 1130 CA GLU A 73 -9.500 -21.980 -25.375 1.00 61.04 C ATOM 1131 C GLU A 73 -8.314 -21.176 -24.849 1.00 42.13 C ATOM 1132 O GLU A 73 -8.442 -20.423 -23.884 1.00 45.04 O ATOM 1133 CB GLU A 73 -9.605 -23.308 -24.623 1.00 2.13 C ATOM 1134 CG GLU A 73 -8.363 -24.176 -24.744 1.00 11.02 C ATOM 1135 CD GLU A 73 -8.510 -25.507 -24.033 1.00 15.43 C ATOM 1136 OE1 GLU A 73 -9.602 -25.769 -23.486 1.00 21.24 O ATOM 1137 OE2 GLU A 73 -7.535 -26.287 -24.025 1.00 13.33 O ATOM 0 H GLU A 73 -9.450 -23.196 -27.082 1.00 73.33 H new ATOM 0 HA GLU A 73 -10.410 -21.404 -25.207 1.00 61.04 H new ATOM 0 HB2 GLU A 73 -9.795 -23.105 -23.569 1.00 2.13 H new ATOM 0 HB3 GLU A 73 -10.464 -23.863 -25.001 1.00 2.13 H new ATOM 0 HG2 GLU A 73 -8.149 -24.353 -25.798 1.00 11.02 H new ATOM 0 HG3 GLU A 73 -7.508 -23.640 -24.331 1.00 11.02 H new ATOM 1144 N GLU A 74 -7.162 -21.344 -25.492 1.00 34.34 N ATOM 1145 CA GLU A 74 -5.953 -20.636 -25.087 1.00 0.52 C ATOM 1146 C GLU A 74 -6.070 -19.144 -25.389 1.00 61.20 C ATOM 1147 O GLU A 74 -5.736 -18.302 -24.553 1.00 55.24 O ATOM 1148 CB GLU A 74 -4.731 -21.217 -25.801 1.00 53.42 C ATOM 1149 CG GLU A 74 -4.673 -22.735 -25.768 1.00 62.23 C ATOM 1150 CD GLU A 74 -3.356 -23.279 -26.288 1.00 20.43 C ATOM 1151 OE1 GLU A 74 -3.142 -23.238 -27.517 1.00 51.02 O ATOM 1152 OE2 GLU A 74 -2.541 -23.746 -25.465 1.00 5.01 O ATOM 0 H GLU A 74 -7.041 -21.963 -26.294 1.00 34.34 H new ATOM 0 HA GLU A 74 -5.831 -20.764 -24.011 1.00 0.52 H new ATOM 0 HB2 GLU A 74 -4.735 -20.884 -26.839 1.00 53.42 H new ATOM 0 HB3 GLU A 74 -3.827 -20.817 -25.341 1.00 53.42 H new ATOM 0 HG2 GLU A 74 -4.825 -23.079 -24.745 1.00 62.23 H new ATOM 0 HG3 GLU A 74 -5.490 -23.139 -26.365 1.00 62.23 H new ATOM 1159 N LEU A 75 -6.546 -18.824 -26.587 1.00 31.21 N ATOM 1160 CA LEU A 75 -6.707 -17.435 -27.000 1.00 0.31 C ATOM 1161 C LEU A 75 -7.707 -16.713 -26.103 1.00 14.43 C ATOM 1162 O LEU A 75 -7.454 -15.598 -25.646 1.00 21.33 O ATOM 1163 CB LEU A 75 -7.168 -17.365 -28.457 1.00 73.25 C ATOM 1164 CG LEU A 75 -6.864 -16.062 -29.196 1.00 12.22 C ATOM 1165 CD1 LEU A 75 -6.267 -16.351 -30.565 1.00 21.14 C ATOM 1166 CD2 LEU A 75 -8.124 -15.218 -29.330 1.00 70.41 C ATOM 0 H LEU A 75 -6.827 -19.508 -27.289 1.00 31.21 H new ATOM 0 HA LEU A 75 -5.740 -16.940 -26.908 1.00 0.31 H new ATOM 0 HB2 LEU A 75 -6.704 -18.186 -29.004 1.00 73.25 H new ATOM 0 HB3 LEU A 75 -8.245 -17.532 -28.485 1.00 73.25 H new ATOM 0 HG LEU A 75 -6.133 -15.500 -28.615 1.00 12.22 H new ATOM 0 HD11 LEU A 75 -6.057 -15.411 -31.076 1.00 21.14 H new ATOM 0 HD12 LEU A 75 -5.341 -16.914 -30.447 1.00 21.14 H new ATOM 0 HD13 LEU A 75 -6.974 -16.935 -31.154 1.00 21.14 H new ATOM 0 HD21 LEU A 75 -7.889 -14.294 -29.859 1.00 70.41 H new ATOM 0 HD22 LEU A 75 -8.877 -15.774 -29.889 1.00 70.41 H new ATOM 0 HD23 LEU A 75 -8.510 -14.981 -28.339 1.00 70.41 H new ATOM 1178 N ARG A 76 -8.844 -17.356 -25.855 1.00 4.12 N ATOM 1179 CA ARG A 76 -9.881 -16.774 -25.011 1.00 71.14 C ATOM 1180 C ARG A 76 -9.310 -16.347 -23.662 1.00 44.33 C ATOM 1181 O ARG A 76 -9.519 -15.218 -23.219 1.00 31.34 O ATOM 1182 CB ARG A 76 -11.017 -17.777 -24.801 1.00 41.51 C ATOM 1183 CG ARG A 76 -12.398 -17.143 -24.809 1.00 54.42 C ATOM 1184 CD ARG A 76 -13.495 -18.194 -24.732 1.00 24.43 C ATOM 1185 NE ARG A 76 -13.807 -18.557 -23.351 1.00 64.32 N ATOM 1186 CZ ARG A 76 -14.918 -19.191 -22.992 1.00 21.22 C ATOM 1187 NH1 ARG A 76 -15.817 -19.528 -23.904 1.00 55.12 N ATOM 1188 NH2 ARG A 76 -15.130 -19.487 -21.715 1.00 50.41 N ATOM 0 H ARG A 76 -9.070 -18.279 -26.226 1.00 4.12 H new ATOM 0 HA ARG A 76 -10.272 -15.890 -25.516 1.00 71.14 H new ATOM 0 HB2 ARG A 76 -10.970 -18.535 -25.583 1.00 41.51 H new ATOM 0 HB3 ARG A 76 -10.867 -18.289 -23.851 1.00 41.51 H new ATOM 0 HG2 ARG A 76 -12.490 -16.458 -23.966 1.00 54.42 H new ATOM 0 HG3 ARG A 76 -12.523 -16.551 -25.716 1.00 54.42 H new ATOM 0 HD2 ARG A 76 -14.394 -17.817 -25.220 1.00 24.43 H new ATOM 0 HD3 ARG A 76 -13.184 -19.084 -25.280 1.00 24.43 H new ATOM 0 HE ARG A 76 -13.136 -18.310 -22.624 1.00 64.32 H new ATOM 0 HH11 ARG A 76 -15.658 -19.301 -24.886 1.00 55.12 H new ATOM 0 HH12 ARG A 76 -16.669 -20.015 -23.625 1.00 55.12 H new ATOM 0 HH21 ARG A 76 -14.440 -19.228 -21.010 1.00 50.41 H new ATOM 0 HH22 ARG A 76 -15.983 -19.974 -21.439 1.00 50.41 H new ATOM 1202 N SER A 77 -8.588 -17.257 -23.016 1.00 14.34 N ATOM 1203 CA SER A 77 -7.990 -16.975 -21.716 1.00 54.25 C ATOM 1204 C SER A 77 -7.169 -15.690 -21.762 1.00 40.24 C ATOM 1205 O SER A 77 -7.239 -14.861 -20.854 1.00 63.22 O ATOM 1206 CB SER A 77 -7.107 -18.143 -21.274 1.00 42.15 C ATOM 1207 OG SER A 77 -7.877 -19.159 -20.656 1.00 63.44 O ATOM 0 H SER A 77 -8.403 -18.195 -23.371 1.00 14.34 H new ATOM 0 HA SER A 77 -8.796 -16.844 -20.994 1.00 54.25 H new ATOM 0 HB2 SER A 77 -6.583 -18.554 -22.137 1.00 42.15 H new ATOM 0 HB3 SER A 77 -6.347 -17.786 -20.580 1.00 42.15 H new ATOM 0 HG SER A 77 -7.290 -19.895 -20.384 1.00 63.44 H new ATOM 1213 N LEU A 78 -6.391 -15.531 -22.828 1.00 41.22 N ATOM 1214 CA LEU A 78 -5.555 -14.348 -22.995 1.00 23.03 C ATOM 1215 C LEU A 78 -6.405 -13.081 -23.028 1.00 65.22 C ATOM 1216 O LEU A 78 -6.208 -12.169 -22.224 1.00 52.01 O ATOM 1217 CB LEU A 78 -4.733 -14.457 -24.280 1.00 23.40 C ATOM 1218 CG LEU A 78 -3.258 -14.819 -24.105 1.00 61.51 C ATOM 1219 CD1 LEU A 78 -2.560 -13.802 -23.214 1.00 2.42 C ATOM 1220 CD2 LEU A 78 -3.117 -16.220 -23.527 1.00 74.25 C ATOM 0 H LEU A 78 -6.322 -16.207 -23.589 1.00 41.22 H new ATOM 0 HA LEU A 78 -4.879 -14.288 -22.142 1.00 23.03 H new ATOM 0 HB2 LEU A 78 -5.197 -15.206 -24.922 1.00 23.40 H new ATOM 0 HB3 LEU A 78 -4.793 -13.505 -24.807 1.00 23.40 H new ATOM 0 HG LEU A 78 -2.782 -14.801 -25.085 1.00 61.51 H new ATOM 0 HD11 LEU A 78 -1.511 -14.076 -23.101 1.00 2.42 H new ATOM 0 HD12 LEU A 78 -2.630 -12.813 -23.667 1.00 2.42 H new ATOM 0 HD13 LEU A 78 -3.039 -13.787 -22.235 1.00 2.42 H new ATOM 0 HD21 LEU A 78 -2.060 -16.460 -23.409 1.00 74.25 H new ATOM 0 HD22 LEU A 78 -3.609 -16.264 -22.556 1.00 74.25 H new ATOM 0 HD23 LEU A 78 -3.580 -16.940 -24.202 1.00 74.25 H new ATOM 1232 N TYR A 79 -7.350 -13.033 -23.960 1.00 71.34 N ATOM 1233 CA TYR A 79 -8.230 -11.878 -24.097 1.00 61.34 C ATOM 1234 C TYR A 79 -8.882 -11.528 -22.763 1.00 65.44 C ATOM 1235 O TYR A 79 -9.190 -10.368 -22.496 1.00 65.44 O ATOM 1236 CB TYR A 79 -9.307 -12.155 -25.148 1.00 2.02 C ATOM 1237 CG TYR A 79 -9.904 -10.901 -25.746 1.00 53.53 C ATOM 1238 CD1 TYR A 79 -9.138 -10.052 -26.537 1.00 35.44 C ATOM 1239 CD2 TYR A 79 -11.233 -10.565 -25.521 1.00 44.40 C ATOM 1240 CE1 TYR A 79 -9.679 -8.905 -27.084 1.00 51.34 C ATOM 1241 CE2 TYR A 79 -11.783 -9.421 -26.067 1.00 20.31 C ATOM 1242 CZ TYR A 79 -11.002 -8.594 -26.848 1.00 63.23 C ATOM 1243 OH TYR A 79 -11.545 -7.453 -27.392 1.00 35.14 O ATOM 0 H TYR A 79 -7.527 -13.780 -24.632 1.00 71.34 H new ATOM 0 HA TYR A 79 -7.627 -11.029 -24.419 1.00 61.34 H new ATOM 0 HB2 TYR A 79 -8.877 -12.759 -25.947 1.00 2.02 H new ATOM 0 HB3 TYR A 79 -10.103 -12.746 -24.694 1.00 2.02 H new ATOM 0 HD1 TYR A 79 -8.103 -10.294 -26.727 1.00 35.44 H new ATOM 0 HD2 TYR A 79 -11.847 -11.209 -24.909 1.00 44.40 H new ATOM 0 HE1 TYR A 79 -9.069 -8.255 -27.694 1.00 51.34 H new ATOM 0 HE2 TYR A 79 -12.819 -9.175 -25.883 1.00 20.31 H new ATOM 0 HH TYR A 79 -12.487 -7.382 -27.130 1.00 35.14 H new ATOM 1253 N ASN A 80 -9.089 -12.543 -21.929 1.00 44.41 N ATOM 1254 CA ASN A 80 -9.705 -12.343 -20.622 1.00 63.31 C ATOM 1255 C ASN A 80 -8.762 -11.594 -19.686 1.00 20.45 C ATOM 1256 O ASN A 80 -9.108 -10.541 -19.149 1.00 31.53 O ATOM 1257 CB ASN A 80 -10.089 -13.690 -20.006 1.00 21.31 C ATOM 1258 CG ASN A 80 -11.539 -14.052 -20.266 1.00 4.11 C ATOM 1259 OD1 ASN A 80 -12.216 -13.409 -21.069 1.00 53.33 O ATOM 1260 ND2 ASN A 80 -12.022 -15.084 -19.586 1.00 35.12 N ATOM 0 H ASN A 80 -8.840 -13.510 -22.135 1.00 44.41 H new ATOM 0 HA ASN A 80 -10.605 -11.743 -20.759 1.00 63.31 H new ATOM 0 HB2 ASN A 80 -9.444 -14.469 -20.412 1.00 21.31 H new ATOM 0 HB3 ASN A 80 -9.912 -13.658 -18.931 1.00 21.31 H new ATOM 0 HD21 ASN A 80 -12.991 -15.374 -19.719 1.00 35.12 H new ATOM 0 HD22 ASN A 80 -11.424 -15.588 -18.931 1.00 35.12 H new ATOM 1267 N THR A 81 -7.566 -12.144 -19.493 1.00 54.25 N ATOM 1268 CA THR A 81 -6.574 -11.529 -18.621 1.00 65.43 C ATOM 1269 C THR A 81 -6.146 -10.166 -19.151 1.00 1.34 C ATOM 1270 O THR A 81 -6.179 -9.170 -18.427 1.00 31.11 O ATOM 1271 CB THR A 81 -5.327 -12.422 -18.472 1.00 72.34 C ATOM 1272 OG1 THR A 81 -5.714 -13.739 -18.063 1.00 13.00 O ATOM 1273 CG2 THR A 81 -4.359 -11.834 -17.456 1.00 72.13 C ATOM 0 H THR A 81 -7.262 -13.014 -19.929 1.00 54.25 H new ATOM 0 HA THR A 81 -7.044 -11.406 -17.645 1.00 65.43 H new ATOM 0 HB THR A 81 -4.827 -12.474 -19.439 1.00 72.34 H new ATOM 0 HG1 THR A 81 -4.916 -14.301 -17.972 1.00 13.00 H new ATOM 0 HG21 THR A 81 -3.487 -12.481 -17.368 1.00 72.13 H new ATOM 0 HG22 THR A 81 -4.044 -10.844 -17.784 1.00 72.13 H new ATOM 0 HG23 THR A 81 -4.852 -11.755 -16.487 1.00 72.13 H new ATOM 1281 N ILE A 82 -5.746 -10.126 -20.418 1.00 33.03 N ATOM 1282 CA ILE A 82 -5.314 -8.883 -21.044 1.00 10.31 C ATOM 1283 C ILE A 82 -6.394 -7.812 -20.940 1.00 5.55 C ATOM 1284 O ILE A 82 -6.101 -6.616 -20.965 1.00 2.32 O ATOM 1285 CB ILE A 82 -4.959 -9.094 -22.528 1.00 22.30 C ATOM 1286 CG1 ILE A 82 -3.852 -10.142 -22.665 1.00 64.42 C ATOM 1287 CG2 ILE A 82 -4.531 -7.779 -23.162 1.00 54.54 C ATOM 1288 CD1 ILE A 82 -3.744 -10.729 -24.055 1.00 43.41 C ATOM 0 H ILE A 82 -5.712 -10.941 -21.031 1.00 33.03 H new ATOM 0 HA ILE A 82 -4.424 -8.553 -20.509 1.00 10.31 H new ATOM 0 HB ILE A 82 -5.844 -9.456 -23.051 1.00 22.30 H new ATOM 0 HG12 ILE A 82 -2.898 -9.688 -22.396 1.00 64.42 H new ATOM 0 HG13 ILE A 82 -4.035 -10.947 -21.953 1.00 64.42 H new ATOM 0 HG21 ILE A 82 -4.283 -7.944 -24.211 1.00 54.54 H new ATOM 0 HG22 ILE A 82 -5.346 -7.059 -23.091 1.00 54.54 H new ATOM 0 HG23 ILE A 82 -3.657 -7.391 -22.640 1.00 54.54 H new ATOM 0 HD11 ILE A 82 -2.939 -11.464 -24.078 1.00 43.41 H new ATOM 0 HD12 ILE A 82 -4.684 -11.212 -24.320 1.00 43.41 H new ATOM 0 HD13 ILE A 82 -3.530 -9.934 -24.770 1.00 43.41 H new ATOM 1300 N ALA A 83 -7.643 -8.247 -20.820 1.00 34.31 N ATOM 1301 CA ALA A 83 -8.766 -7.325 -20.706 1.00 52.44 C ATOM 1302 C ALA A 83 -8.797 -6.662 -19.334 1.00 41.24 C ATOM 1303 O ALA A 83 -8.776 -5.436 -19.225 1.00 41.13 O ATOM 1304 CB ALA A 83 -10.076 -8.053 -20.972 1.00 74.01 C ATOM 0 H ALA A 83 -7.903 -9.233 -20.799 1.00 34.31 H new ATOM 0 HA ALA A 83 -8.638 -6.543 -21.455 1.00 52.44 H new ATOM 0 HB1 ALA A 83 -10.906 -7.352 -20.883 1.00 74.01 H new ATOM 0 HB2 ALA A 83 -10.061 -8.473 -21.978 1.00 74.01 H new ATOM 0 HB3 ALA A 83 -10.200 -8.856 -20.245 1.00 74.01 H new ATOM 1310 N VAL A 84 -8.847 -7.480 -18.288 1.00 20.02 N ATOM 1311 CA VAL A 84 -8.880 -6.972 -16.921 1.00 34.12 C ATOM 1312 C VAL A 84 -7.642 -6.135 -16.616 1.00 73.25 C ATOM 1313 O VAL A 84 -7.723 -5.114 -15.932 1.00 34.43 O ATOM 1314 CB VAL A 84 -8.976 -8.120 -15.898 1.00 3.13 C ATOM 1315 CG1 VAL A 84 -8.981 -7.572 -14.480 1.00 13.34 C ATOM 1316 CG2 VAL A 84 -10.215 -8.963 -16.158 1.00 41.43 C ATOM 0 H VAL A 84 -8.866 -8.497 -18.360 1.00 20.02 H new ATOM 0 HA VAL A 84 -9.768 -6.346 -16.837 1.00 34.12 H new ATOM 0 HB VAL A 84 -8.100 -8.759 -16.011 1.00 3.13 H new ATOM 0 HG11 VAL A 84 -9.049 -8.397 -13.771 1.00 13.34 H new ATOM 0 HG12 VAL A 84 -8.061 -7.016 -14.302 1.00 13.34 H new ATOM 0 HG13 VAL A 84 -9.837 -6.909 -14.349 1.00 13.34 H new ATOM 0 HG21 VAL A 84 -10.267 -9.769 -15.426 1.00 41.43 H new ATOM 0 HG22 VAL A 84 -11.104 -8.338 -16.073 1.00 41.43 H new ATOM 0 HG23 VAL A 84 -10.163 -9.386 -17.161 1.00 41.43 H new ATOM 1326 N LEU A 85 -6.498 -6.574 -17.128 1.00 34.10 N ATOM 1327 CA LEU A 85 -5.242 -5.865 -16.911 1.00 63.23 C ATOM 1328 C LEU A 85 -5.237 -4.528 -17.645 1.00 63.42 C ATOM 1329 O LEU A 85 -4.959 -3.485 -17.053 1.00 0.54 O ATOM 1330 CB LEU A 85 -4.063 -6.721 -17.379 1.00 63.02 C ATOM 1331 CG LEU A 85 -2.710 -6.408 -16.738 1.00 50.25 C ATOM 1332 CD1 LEU A 85 -2.677 -6.895 -15.297 1.00 54.03 C ATOM 1333 CD2 LEU A 85 -1.582 -7.037 -17.541 1.00 62.54 C ATOM 0 H LEU A 85 -6.414 -7.417 -17.696 1.00 34.10 H new ATOM 0 HA LEU A 85 -5.142 -5.672 -15.843 1.00 63.23 H new ATOM 0 HB2 LEU A 85 -4.300 -7.767 -17.186 1.00 63.02 H new ATOM 0 HB3 LEU A 85 -3.965 -6.610 -18.459 1.00 63.02 H new ATOM 0 HG LEU A 85 -2.570 -5.327 -16.738 1.00 50.25 H new ATOM 0 HD11 LEU A 85 -1.707 -6.664 -14.857 1.00 54.03 H new ATOM 0 HD12 LEU A 85 -3.462 -6.398 -14.727 1.00 54.03 H new ATOM 0 HD13 LEU A 85 -2.839 -7.973 -15.273 1.00 54.03 H new ATOM 0 HD21 LEU A 85 -0.627 -6.804 -17.071 1.00 62.54 H new ATOM 0 HD22 LEU A 85 -1.717 -8.118 -17.573 1.00 62.54 H new ATOM 0 HD23 LEU A 85 -1.593 -6.640 -18.556 1.00 62.54 H new ATOM 1345 N TYR A 86 -5.548 -4.567 -18.935 1.00 0.42 N ATOM 1346 CA TYR A 86 -5.579 -3.358 -19.751 1.00 34.25 C ATOM 1347 C TYR A 86 -6.446 -2.284 -19.100 1.00 34.23 C ATOM 1348 O TYR A 86 -6.029 -1.134 -18.960 1.00 23.11 O ATOM 1349 CB TYR A 86 -6.107 -3.675 -21.150 1.00 52.04 C ATOM 1350 CG TYR A 86 -6.365 -2.446 -21.993 1.00 71.32 C ATOM 1351 CD1 TYR A 86 -5.313 -1.673 -22.470 1.00 72.01 C ATOM 1352 CD2 TYR A 86 -7.661 -2.060 -22.313 1.00 4.50 C ATOM 1353 CE1 TYR A 86 -5.545 -0.550 -23.240 1.00 34.14 C ATOM 1354 CE2 TYR A 86 -7.902 -0.938 -23.084 1.00 21.22 C ATOM 1355 CZ TYR A 86 -6.840 -0.187 -23.544 1.00 15.41 C ATOM 1356 OH TYR A 86 -7.075 0.931 -24.311 1.00 2.22 O ATOM 0 H TYR A 86 -5.782 -5.422 -19.439 1.00 0.42 H new ATOM 0 HA TYR A 86 -4.560 -2.979 -19.832 1.00 34.25 H new ATOM 0 HB2 TYR A 86 -5.389 -4.314 -21.664 1.00 52.04 H new ATOM 0 HB3 TYR A 86 -7.032 -4.244 -21.060 1.00 52.04 H new ATOM 0 HD1 TYR A 86 -4.297 -1.955 -22.235 1.00 72.01 H new ATOM 0 HD2 TYR A 86 -8.494 -2.646 -21.953 1.00 4.50 H new ATOM 0 HE1 TYR A 86 -4.716 0.041 -23.602 1.00 34.14 H new ATOM 0 HE2 TYR A 86 -8.915 -0.651 -23.325 1.00 21.22 H new ATOM 0 HH TYR A 86 -8.040 1.046 -24.434 1.00 2.22 H new ATOM 1366 N CYS A 87 -7.654 -2.669 -18.702 1.00 51.33 N ATOM 1367 CA CYS A 87 -8.581 -1.741 -18.066 1.00 13.15 C ATOM 1368 C CYS A 87 -7.917 -1.025 -16.895 1.00 63.43 C ATOM 1369 O CYS A 87 -8.255 0.115 -16.577 1.00 2.11 O ATOM 1370 CB CYS A 87 -9.829 -2.484 -17.583 1.00 23.32 C ATOM 1371 SG CYS A 87 -11.024 -2.846 -18.890 1.00 42.24 S ATOM 0 H CYS A 87 -8.014 -3.617 -18.809 1.00 51.33 H new ATOM 0 HA CYS A 87 -8.874 -0.996 -18.806 1.00 13.15 H new ATOM 0 HB2 CYS A 87 -9.523 -3.420 -17.115 1.00 23.32 H new ATOM 0 HB3 CYS A 87 -10.318 -1.888 -16.813 1.00 23.32 H new ATOM 0 HG CYS A 87 -12.128 -3.283 -18.360 1.00 42.24 H new ATOM 1377 N VAL A 88 -6.969 -1.702 -16.255 1.00 64.53 N ATOM 1378 CA VAL A 88 -6.256 -1.132 -15.118 1.00 60.34 C ATOM 1379 C VAL A 88 -5.237 -0.093 -15.574 1.00 61.52 C ATOM 1380 O VAL A 88 -5.096 0.965 -14.960 1.00 61.42 O ATOM 1381 CB VAL A 88 -5.534 -2.222 -14.304 1.00 4.03 C ATOM 1382 CG1 VAL A 88 -4.940 -1.634 -13.033 1.00 62.43 C ATOM 1383 CG2 VAL A 88 -6.485 -3.363 -13.980 1.00 32.32 C ATOM 0 H VAL A 88 -6.677 -2.647 -16.505 1.00 64.53 H new ATOM 0 HA VAL A 88 -7.002 -0.652 -14.485 1.00 60.34 H new ATOM 0 HB VAL A 88 -4.718 -2.620 -14.907 1.00 4.03 H new ATOM 0 HG11 VAL A 88 -4.434 -2.419 -12.471 1.00 62.43 H new ATOM 0 HG12 VAL A 88 -4.224 -0.854 -13.293 1.00 62.43 H new ATOM 0 HG13 VAL A 88 -5.736 -1.207 -12.423 1.00 62.43 H new ATOM 0 HG21 VAL A 88 -5.958 -4.124 -13.405 1.00 32.32 H new ATOM 0 HG22 VAL A 88 -7.324 -2.983 -13.397 1.00 32.32 H new ATOM 0 HG23 VAL A 88 -6.856 -3.801 -14.906 1.00 32.32 H new ATOM 1393 N HIS A 89 -4.527 -0.403 -16.655 1.00 34.14 N ATOM 1394 CA HIS A 89 -3.520 0.504 -17.195 1.00 13.33 C ATOM 1395 C HIS A 89 -4.179 1.697 -17.882 1.00 4.54 C ATOM 1396 O HIS A 89 -3.463 2.665 -18.141 1.00 34.14 O ATOM 1397 CB HIS A 89 -2.617 -0.233 -18.183 1.00 62.33 C ATOM 1398 CG HIS A 89 -1.886 -1.392 -17.578 1.00 35.23 C ATOM 1399 ND1 HIS A 89 -1.649 -1.508 -16.225 1.00 22.32 N ATOM 1400 CD2 HIS A 89 -1.342 -2.492 -18.149 1.00 34.31 C ATOM 1401 CE1 HIS A 89 -0.989 -2.628 -15.990 1.00 12.41 C ATOM 1402 NE2 HIS A 89 -0.790 -3.244 -17.141 1.00 55.40 N ATOM 0 H HIS A 89 -4.631 -1.275 -17.174 1.00 34.14 H new ATOM 0 HA HIS A 89 -2.914 0.872 -16.367 1.00 13.33 H new ATOM 0 HB2 HIS A 89 -3.221 -0.590 -19.017 1.00 62.33 H new ATOM 0 HB3 HIS A 89 -1.891 0.470 -18.593 1.00 62.33 H new ATOM 0 HD2 HIS A 89 -1.342 -2.733 -19.202 1.00 34.31 H new ATOM 0 HE1 HIS A 89 -0.667 -2.980 -15.021 1.00 12.41 H new ATOM 0 HE2 HIS A 89 -0.305 -4.133 -17.262 1.00 55.40 H new ATOM 1411 N GLN A 90 -5.475 1.656 -18.173 1.00 5.53 N ATOM 1412 CA GLN A 90 -6.145 2.772 -18.830 1.00 71.11 C ATOM 1413 C GLN A 90 -6.885 3.637 -17.815 1.00 20.44 C ATOM 1414 O GLN A 90 -6.471 4.759 -17.523 1.00 11.33 O ATOM 1415 CB GLN A 90 -7.124 2.256 -19.886 1.00 52.33 C ATOM 1416 CG GLN A 90 -6.719 2.601 -21.311 1.00 34.30 C ATOM 1417 CD GLN A 90 -6.932 4.066 -21.638 1.00 44.01 C ATOM 1418 OE1 GLN A 90 -8.066 4.533 -21.744 1.00 33.30 O ATOM 1419 NE2 GLN A 90 -5.837 4.801 -21.802 1.00 52.34 N ATOM 0 H GLN A 90 -6.082 0.863 -17.964 1.00 5.53 H new ATOM 0 HA GLN A 90 -5.385 3.384 -19.316 1.00 71.11 H new ATOM 0 HB2 GLN A 90 -7.208 1.173 -19.793 1.00 52.33 H new ATOM 0 HB3 GLN A 90 -8.112 2.671 -19.687 1.00 52.33 H new ATOM 0 HG2 GLN A 90 -5.669 2.349 -21.458 1.00 34.30 H new ATOM 0 HG3 GLN A 90 -7.294 1.990 -22.007 1.00 34.30 H new ATOM 0 HE21 GLN A 90 -4.916 4.373 -21.705 1.00 52.34 H new ATOM 0 HE22 GLN A 90 -5.917 5.793 -22.025 1.00 52.34 H new ATOM 1428 N ARG A 91 -7.980 3.107 -17.279 1.00 43.01 N ATOM 1429 CA ARG A 91 -8.777 3.831 -16.296 1.00 40.52 C ATOM 1430 C ARG A 91 -9.964 2.991 -15.834 1.00 61.11 C ATOM 1431 O ARG A 91 -10.367 3.054 -14.672 1.00 63.41 O ATOM 1432 CB ARG A 91 -9.274 5.153 -16.886 1.00 43.23 C ATOM 1433 CG ARG A 91 -9.874 5.013 -18.275 1.00 12.30 C ATOM 1434 CD ARG A 91 -10.777 6.190 -18.613 1.00 64.42 C ATOM 1435 NE ARG A 91 -12.081 5.755 -19.107 1.00 1.03 N ATOM 1436 CZ ARG A 91 -13.070 6.591 -19.403 1.00 1.34 C ATOM 1437 NH1 ARG A 91 -12.904 7.899 -19.257 1.00 64.54 N ATOM 1438 NH2 ARG A 91 -14.228 6.119 -19.846 1.00 44.41 N ATOM 0 H ARG A 91 -8.335 2.179 -17.509 1.00 43.01 H new ATOM 0 HA ARG A 91 -8.144 4.040 -15.434 1.00 40.52 H new ATOM 0 HB2 ARG A 91 -10.022 5.581 -16.218 1.00 43.23 H new ATOM 0 HB3 ARG A 91 -8.443 5.858 -16.928 1.00 43.23 H new ATOM 0 HG2 ARG A 91 -9.075 4.943 -19.013 1.00 12.30 H new ATOM 0 HG3 ARG A 91 -10.445 4.086 -18.334 1.00 12.30 H new ATOM 0 HD2 ARG A 91 -10.913 6.809 -17.726 1.00 64.42 H new ATOM 0 HD3 ARG A 91 -10.294 6.813 -19.365 1.00 64.42 H new ATOM 0 HE ARG A 91 -12.241 4.755 -19.231 1.00 1.03 H new ATOM 0 HH11 ARG A 91 -12.015 8.265 -18.917 1.00 64.54 H new ATOM 0 HH12 ARG A 91 -13.665 8.538 -19.485 1.00 64.54 H new ATOM 0 HH21 ARG A 91 -14.359 5.114 -19.959 1.00 44.41 H new ATOM 0 HH22 ARG A 91 -14.987 6.761 -20.073 1.00 44.41 H new ATOM 1452 N ILE A 92 -10.520 2.207 -16.752 1.00 74.30 N ATOM 1453 CA ILE A 92 -11.660 1.354 -16.437 1.00 41.41 C ATOM 1454 C ILE A 92 -11.385 0.500 -15.203 1.00 44.10 C ATOM 1455 O ILE A 92 -10.403 -0.240 -15.155 1.00 44.12 O ATOM 1456 CB ILE A 92 -12.015 0.430 -17.618 1.00 11.15 C ATOM 1457 CG1 ILE A 92 -12.306 1.258 -18.871 1.00 53.32 C ATOM 1458 CG2 ILE A 92 -13.209 -0.445 -17.265 1.00 22.22 C ATOM 1459 CD1 ILE A 92 -11.496 0.834 -20.076 1.00 32.12 C ATOM 0 H ILE A 92 -10.200 2.145 -17.719 1.00 74.30 H new ATOM 0 HA ILE A 92 -12.503 2.016 -16.237 1.00 41.41 H new ATOM 0 HB ILE A 92 -11.163 -0.218 -17.823 1.00 11.15 H new ATOM 0 HG12 ILE A 92 -13.367 1.180 -19.110 1.00 53.32 H new ATOM 0 HG13 ILE A 92 -12.104 2.308 -18.658 1.00 53.32 H new ATOM 0 HG21 ILE A 92 -13.448 -1.092 -18.109 1.00 22.22 H new ATOM 0 HG22 ILE A 92 -12.968 -1.057 -16.396 1.00 22.22 H new ATOM 0 HG23 ILE A 92 -14.068 0.186 -17.037 1.00 22.22 H new ATOM 0 HD11 ILE A 92 -11.754 1.464 -20.928 1.00 32.12 H new ATOM 0 HD12 ILE A 92 -10.434 0.939 -19.855 1.00 32.12 H new ATOM 0 HD13 ILE A 92 -11.716 -0.207 -20.315 1.00 32.12 H new ATOM 1471 N ASP A 93 -12.259 0.608 -14.209 1.00 4.40 N ATOM 1472 CA ASP A 93 -12.113 -0.156 -12.976 1.00 24.21 C ATOM 1473 C ASP A 93 -13.179 -1.242 -12.879 1.00 14.23 C ATOM 1474 O ASP A 93 -13.928 -1.306 -11.905 1.00 14.45 O ATOM 1475 CB ASP A 93 -12.200 0.772 -11.763 1.00 63.21 C ATOM 1476 CG ASP A 93 -11.457 0.224 -10.560 1.00 71.24 C ATOM 1477 OD1 ASP A 93 -11.164 -0.990 -10.547 1.00 31.41 O ATOM 1478 OD2 ASP A 93 -11.169 1.008 -9.633 1.00 70.11 O ATOM 0 H ASP A 93 -13.076 1.218 -14.233 1.00 4.40 H new ATOM 0 HA ASP A 93 -11.134 -0.635 -12.988 1.00 24.21 H new ATOM 0 HB2 ASP A 93 -11.791 1.748 -12.026 1.00 63.21 H new ATOM 0 HB3 ASP A 93 -13.247 0.925 -11.501 1.00 63.21 H new ATOM 1483 N VAL A 94 -13.242 -2.095 -13.897 1.00 13.14 N ATOM 1484 CA VAL A 94 -14.217 -3.178 -13.927 1.00 74.10 C ATOM 1485 C VAL A 94 -14.129 -4.032 -12.667 1.00 12.24 C ATOM 1486 O VAL A 94 -13.219 -3.866 -11.854 1.00 74.40 O ATOM 1487 CB VAL A 94 -14.017 -4.080 -15.160 1.00 32.35 C ATOM 1488 CG1 VAL A 94 -14.394 -3.336 -16.432 1.00 24.10 C ATOM 1489 CG2 VAL A 94 -12.580 -4.576 -15.227 1.00 55.01 C ATOM 0 H VAL A 94 -12.629 -2.057 -14.711 1.00 13.14 H new ATOM 0 HA VAL A 94 -15.202 -2.715 -13.981 1.00 74.10 H new ATOM 0 HB VAL A 94 -14.673 -4.946 -15.067 1.00 32.35 H new ATOM 0 HG11 VAL A 94 -14.246 -3.989 -17.293 1.00 24.10 H new ATOM 0 HG12 VAL A 94 -15.440 -3.034 -16.381 1.00 24.10 H new ATOM 0 HG13 VAL A 94 -13.766 -2.451 -16.536 1.00 24.10 H new ATOM 0 HG21 VAL A 94 -12.455 -5.212 -16.103 1.00 55.01 H new ATOM 0 HG22 VAL A 94 -11.904 -3.724 -15.297 1.00 55.01 H new ATOM 0 HG23 VAL A 94 -12.350 -5.148 -14.328 1.00 55.01 H new ATOM 1499 N LYS A 95 -15.081 -4.945 -12.510 1.00 71.31 N ATOM 1500 CA LYS A 95 -15.112 -5.827 -11.350 1.00 72.22 C ATOM 1501 C LYS A 95 -14.859 -7.275 -11.760 1.00 23.25 C ATOM 1502 O LYS A 95 -14.342 -8.072 -10.975 1.00 2.54 O ATOM 1503 CB LYS A 95 -16.461 -5.718 -10.635 1.00 23.32 C ATOM 1504 CG LYS A 95 -16.510 -4.612 -9.595 1.00 32.10 C ATOM 1505 CD LYS A 95 -16.009 -5.095 -8.243 1.00 44.34 C ATOM 1506 CE LYS A 95 -16.879 -4.579 -7.109 1.00 4.23 C ATOM 1507 NZ LYS A 95 -16.461 -5.133 -5.792 1.00 41.32 N ATOM 0 H LYS A 95 -15.842 -5.093 -13.173 1.00 71.31 H new ATOM 0 HA LYS A 95 -14.320 -5.516 -10.669 1.00 72.22 H new ATOM 0 HB2 LYS A 95 -17.242 -5.544 -11.375 1.00 23.32 H new ATOM 0 HB3 LYS A 95 -16.685 -6.669 -10.152 1.00 23.32 H new ATOM 0 HG2 LYS A 95 -15.904 -3.770 -9.929 1.00 32.10 H new ATOM 0 HG3 LYS A 95 -17.533 -4.249 -9.496 1.00 32.10 H new ATOM 0 HD2 LYS A 95 -15.997 -6.185 -8.227 1.00 44.34 H new ATOM 0 HD3 LYS A 95 -14.982 -4.763 -8.095 1.00 44.34 H new ATOM 0 HE2 LYS A 95 -16.827 -3.491 -7.078 1.00 4.23 H new ATOM 0 HE3 LYS A 95 -17.919 -4.843 -7.300 1.00 4.23 H new ATOM 0 HZ1 LYS A 95 -17.079 -4.757 -5.045 1.00 41.32 H new ATOM 0 HZ2 LYS A 95 -16.535 -6.170 -5.813 1.00 41.32 H new ATOM 0 HZ3 LYS A 95 -15.477 -4.860 -5.597 1.00 41.32 H new ATOM 1521 N ASP A 96 -15.223 -7.608 -12.993 1.00 33.51 N ATOM 1522 CA ASP A 96 -15.032 -8.959 -13.509 1.00 15.15 C ATOM 1523 C ASP A 96 -14.472 -8.925 -14.927 1.00 71.11 C ATOM 1524 O ASP A 96 -14.429 -7.873 -15.564 1.00 51.12 O ATOM 1525 CB ASP A 96 -16.355 -9.727 -13.487 1.00 3.23 C ATOM 1526 CG ASP A 96 -17.536 -8.857 -13.868 1.00 30.55 C ATOM 1527 OD1 ASP A 96 -18.053 -8.139 -12.986 1.00 31.12 O ATOM 1528 OD2 ASP A 96 -17.945 -8.894 -15.047 1.00 2.21 O ATOM 0 H ASP A 96 -15.652 -6.961 -13.654 1.00 33.51 H new ATOM 0 HA ASP A 96 -14.314 -9.469 -12.867 1.00 15.15 H new ATOM 0 HB2 ASP A 96 -16.293 -10.571 -14.174 1.00 3.23 H new ATOM 0 HB3 ASP A 96 -16.517 -10.138 -12.490 1.00 3.23 H new ATOM 1533 N THR A 97 -14.043 -10.086 -15.415 1.00 5.15 N ATOM 1534 CA THR A 97 -13.482 -10.189 -16.757 1.00 12.01 C ATOM 1535 C THR A 97 -14.530 -9.864 -17.816 1.00 1.31 C ATOM 1536 O THR A 97 -14.238 -9.195 -18.808 1.00 12.11 O ATOM 1537 CB THR A 97 -12.919 -11.597 -17.024 1.00 30.34 C ATOM 1538 OG1 THR A 97 -11.938 -11.927 -16.034 1.00 73.14 O ATOM 1539 CG2 THR A 97 -12.298 -11.678 -18.409 1.00 62.03 C ATOM 0 H THR A 97 -14.073 -10.967 -14.901 1.00 5.15 H new ATOM 0 HA THR A 97 -12.670 -9.464 -16.817 1.00 12.01 H new ATOM 0 HB THR A 97 -13.742 -12.310 -16.971 1.00 30.34 H new ATOM 0 HG1 THR A 97 -11.940 -12.895 -15.881 1.00 73.14 H new ATOM 0 HG21 THR A 97 -11.907 -12.682 -18.574 1.00 62.03 H new ATOM 0 HG22 THR A 97 -13.055 -11.455 -19.161 1.00 62.03 H new ATOM 0 HG23 THR A 97 -11.486 -10.955 -18.486 1.00 62.03 H new ATOM 1547 N LYS A 98 -15.751 -10.340 -17.600 1.00 75.01 N ATOM 1548 CA LYS A 98 -16.844 -10.099 -18.535 1.00 24.10 C ATOM 1549 C LYS A 98 -17.098 -8.604 -18.700 1.00 54.13 C ATOM 1550 O LYS A 98 -17.233 -8.108 -19.818 1.00 43.14 O ATOM 1551 CB LYS A 98 -18.118 -10.793 -18.051 1.00 73.40 C ATOM 1552 CG LYS A 98 -19.310 -10.587 -18.970 1.00 51.32 C ATOM 1553 CD LYS A 98 -20.550 -10.178 -18.193 1.00 31.04 C ATOM 1554 CE LYS A 98 -20.852 -8.697 -18.364 1.00 54.43 C ATOM 1555 NZ LYS A 98 -21.382 -8.091 -17.112 1.00 20.20 N ATOM 0 H LYS A 98 -16.009 -10.896 -16.785 1.00 75.01 H new ATOM 0 HA LYS A 98 -16.559 -10.511 -19.503 1.00 24.10 H new ATOM 0 HB2 LYS A 98 -17.925 -11.861 -17.954 1.00 73.40 H new ATOM 0 HB3 LYS A 98 -18.368 -10.423 -17.057 1.00 73.40 H new ATOM 0 HG2 LYS A 98 -19.073 -9.821 -19.708 1.00 51.32 H new ATOM 0 HG3 LYS A 98 -19.511 -11.507 -19.519 1.00 51.32 H new ATOM 0 HD2 LYS A 98 -21.403 -10.766 -18.532 1.00 31.04 H new ATOM 0 HD3 LYS A 98 -20.408 -10.402 -17.136 1.00 31.04 H new ATOM 0 HE2 LYS A 98 -19.944 -8.174 -18.665 1.00 54.43 H new ATOM 0 HE3 LYS A 98 -21.577 -8.565 -19.167 1.00 54.43 H new ATOM 0 HZ1 LYS A 98 -21.168 -7.073 -17.101 1.00 20.20 H new ATOM 0 HZ2 LYS A 98 -22.412 -8.228 -17.069 1.00 20.20 H new ATOM 0 HZ3 LYS A 98 -20.937 -8.547 -16.290 1.00 20.20 H new ATOM 1569 N GLU A 99 -17.162 -7.891 -17.579 1.00 71.44 N ATOM 1570 CA GLU A 99 -17.399 -6.453 -17.603 1.00 34.25 C ATOM 1571 C GLU A 99 -16.369 -5.745 -18.477 1.00 52.11 C ATOM 1572 O GLU A 99 -16.714 -4.891 -19.294 1.00 32.32 O ATOM 1573 CB GLU A 99 -17.356 -5.883 -16.182 1.00 62.23 C ATOM 1574 CG GLU A 99 -17.818 -4.439 -16.092 1.00 33.54 C ATOM 1575 CD GLU A 99 -19.328 -4.312 -16.045 1.00 52.43 C ATOM 1576 OE1 GLU A 99 -20.013 -5.126 -16.700 1.00 24.10 O ATOM 1577 OE2 GLU A 99 -19.827 -3.399 -15.354 1.00 42.25 O ATOM 0 H GLU A 99 -17.053 -8.286 -16.645 1.00 71.44 H new ATOM 0 HA GLU A 99 -18.388 -6.281 -18.027 1.00 34.25 H new ATOM 0 HB2 GLU A 99 -17.982 -6.497 -15.534 1.00 62.23 H new ATOM 0 HB3 GLU A 99 -16.337 -5.954 -15.802 1.00 62.23 H new ATOM 0 HG2 GLU A 99 -17.391 -3.979 -15.201 1.00 33.54 H new ATOM 0 HG3 GLU A 99 -17.437 -3.885 -16.950 1.00 33.54 H new ATOM 1584 N ALA A 100 -15.103 -6.106 -18.300 1.00 64.41 N ATOM 1585 CA ALA A 100 -14.022 -5.508 -19.074 1.00 70.11 C ATOM 1586 C ALA A 100 -14.190 -5.791 -20.563 1.00 72.14 C ATOM 1587 O ALA A 100 -13.705 -5.038 -21.408 1.00 23.13 O ATOM 1588 CB ALA A 100 -12.675 -6.022 -18.586 1.00 73.03 C ATOM 0 H ALA A 100 -14.800 -6.810 -17.627 1.00 64.41 H new ATOM 0 HA ALA A 100 -14.060 -4.428 -18.930 1.00 70.11 H new ATOM 0 HB1 ALA A 100 -11.877 -5.567 -19.173 1.00 73.03 H new ATOM 0 HB2 ALA A 100 -12.545 -5.762 -17.535 1.00 73.03 H new ATOM 0 HB3 ALA A 100 -12.636 -7.105 -18.700 1.00 73.03 H new ATOM 1594 N LEU A 101 -14.881 -6.881 -20.878 1.00 71.42 N ATOM 1595 CA LEU A 101 -15.113 -7.265 -22.267 1.00 32.13 C ATOM 1596 C LEU A 101 -16.131 -6.339 -22.925 1.00 22.34 C ATOM 1597 O LEU A 101 -15.954 -5.916 -24.066 1.00 43.14 O ATOM 1598 CB LEU A 101 -15.600 -8.713 -22.342 1.00 12.05 C ATOM 1599 CG LEU A 101 -14.938 -9.590 -23.404 1.00 60.32 C ATOM 1600 CD1 LEU A 101 -15.190 -9.028 -24.794 1.00 10.45 C ATOM 1601 CD2 LEU A 101 -13.444 -9.711 -23.139 1.00 40.15 C ATOM 0 H LEU A 101 -15.290 -7.514 -20.191 1.00 71.42 H new ATOM 0 HA LEU A 101 -14.169 -7.178 -22.805 1.00 32.13 H new ATOM 0 HB2 LEU A 101 -15.446 -9.178 -21.368 1.00 12.05 H new ATOM 0 HB3 LEU A 101 -16.675 -8.705 -22.525 1.00 12.05 H new ATOM 0 HG LEU A 101 -15.379 -10.586 -23.352 1.00 60.32 H new ATOM 0 HD11 LEU A 101 -14.711 -9.666 -25.537 1.00 10.45 H new ATOM 0 HD12 LEU A 101 -16.263 -8.993 -24.983 1.00 10.45 H new ATOM 0 HD13 LEU A 101 -14.777 -8.021 -24.860 1.00 10.45 H new ATOM 0 HD21 LEU A 101 -12.988 -10.339 -23.905 1.00 40.15 H new ATOM 0 HD22 LEU A 101 -12.989 -8.721 -23.163 1.00 40.15 H new ATOM 0 HD23 LEU A 101 -13.284 -10.160 -22.159 1.00 40.15 H new ATOM 1613 N ASP A 102 -17.196 -6.025 -22.194 1.00 72.25 N ATOM 1614 CA ASP A 102 -18.242 -5.147 -22.706 1.00 24.14 C ATOM 1615 C ASP A 102 -17.727 -3.717 -22.851 1.00 74.35 C ATOM 1616 O ASP A 102 -18.007 -3.043 -23.842 1.00 60.12 O ATOM 1617 CB ASP A 102 -19.458 -5.173 -21.778 1.00 2.23 C ATOM 1618 CG ASP A 102 -20.357 -6.365 -22.036 1.00 14.34 C ATOM 1619 OD1 ASP A 102 -19.861 -7.508 -21.966 1.00 64.30 O ATOM 1620 OD2 ASP A 102 -21.558 -6.155 -22.308 1.00 42.15 O ATOM 0 H ASP A 102 -17.357 -6.365 -21.246 1.00 72.25 H new ATOM 0 HA ASP A 102 -18.538 -5.509 -23.690 1.00 24.14 H new ATOM 0 HB2 ASP A 102 -19.120 -5.194 -20.742 1.00 2.23 H new ATOM 0 HB3 ASP A 102 -20.031 -4.255 -21.908 1.00 2.23 H new ATOM 1625 N LYS A 103 -16.974 -3.262 -21.856 1.00 61.10 N ATOM 1626 CA LYS A 103 -16.420 -1.913 -21.871 1.00 63.54 C ATOM 1627 C LYS A 103 -15.551 -1.697 -23.106 1.00 40.42 C ATOM 1628 O LYS A 103 -15.677 -0.683 -23.796 1.00 30.42 O ATOM 1629 CB LYS A 103 -15.596 -1.664 -20.606 1.00 12.22 C ATOM 1630 CG LYS A 103 -15.975 -0.386 -19.876 1.00 41.05 C ATOM 1631 CD LYS A 103 -17.409 -0.432 -19.379 1.00 54.21 C ATOM 1632 CE LYS A 103 -17.683 0.666 -18.364 1.00 5.53 C ATOM 1633 NZ LYS A 103 -19.019 1.291 -18.569 1.00 42.41 N ATOM 0 H LYS A 103 -16.733 -3.808 -21.029 1.00 61.10 H new ATOM 0 HA LYS A 103 -17.249 -1.206 -21.902 1.00 63.54 H new ATOM 0 HB2 LYS A 103 -15.720 -2.510 -19.929 1.00 12.22 H new ATOM 0 HB3 LYS A 103 -14.540 -1.621 -20.873 1.00 12.22 H new ATOM 0 HG2 LYS A 103 -15.301 -0.234 -19.033 1.00 41.05 H new ATOM 0 HG3 LYS A 103 -15.847 0.467 -20.543 1.00 41.05 H new ATOM 0 HD2 LYS A 103 -18.091 -0.327 -20.223 1.00 54.21 H new ATOM 0 HD3 LYS A 103 -17.608 -1.404 -18.927 1.00 54.21 H new ATOM 0 HE2 LYS A 103 -17.627 0.252 -17.357 1.00 5.53 H new ATOM 0 HE3 LYS A 103 -16.909 1.430 -18.438 1.00 5.53 H new ATOM 0 HZ1 LYS A 103 -19.167 2.034 -17.857 1.00 42.41 H new ATOM 0 HZ2 LYS A 103 -19.065 1.709 -19.520 1.00 42.41 H new ATOM 0 HZ3 LYS A 103 -19.759 0.567 -18.473 1.00 42.41 H new ATOM 1647 N ILE A 104 -14.671 -2.653 -23.381 1.00 61.55 N ATOM 1648 CA ILE A 104 -13.784 -2.567 -24.535 1.00 34.21 C ATOM 1649 C ILE A 104 -14.552 -2.779 -25.835 1.00 4.22 C ATOM 1650 O ILE A 104 -14.146 -2.296 -26.892 1.00 73.42 O ATOM 1651 CB ILE A 104 -12.646 -3.602 -24.449 1.00 54.21 C ATOM 1652 CG1 ILE A 104 -11.836 -3.397 -23.167 1.00 12.31 C ATOM 1653 CG2 ILE A 104 -11.748 -3.503 -25.672 1.00 63.13 C ATOM 1654 CD1 ILE A 104 -10.984 -4.589 -22.794 1.00 24.13 C ATOM 0 H ILE A 104 -14.553 -3.497 -22.820 1.00 61.55 H new ATOM 0 HA ILE A 104 -13.354 -1.565 -24.529 1.00 34.21 H new ATOM 0 HB ILE A 104 -13.083 -4.600 -24.423 1.00 54.21 H new ATOM 0 HG12 ILE A 104 -11.193 -2.525 -23.288 1.00 12.31 H new ATOM 0 HG13 ILE A 104 -12.519 -3.178 -22.346 1.00 12.31 H new ATOM 0 HG21 ILE A 104 -10.949 -4.240 -25.597 1.00 63.13 H new ATOM 0 HG22 ILE A 104 -12.335 -3.694 -26.571 1.00 63.13 H new ATOM 0 HG23 ILE A 104 -11.316 -2.504 -25.726 1.00 63.13 H new ATOM 0 HD11 ILE A 104 -10.438 -4.373 -21.876 1.00 24.13 H new ATOM 0 HD12 ILE A 104 -11.623 -5.459 -22.640 1.00 24.13 H new ATOM 0 HD13 ILE A 104 -10.276 -4.796 -23.597 1.00 24.13 H new