USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 24 CYS SG : rot 18:sc= -1.21 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 163:sc= -1.61 (180deg=-2.3!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 31 SER OG : rot 6:sc= -0.849 USER MOD Single : A 32 THR OG1 : rot -53:sc= 0.202! USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0.955 (180deg=0.935) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= -0.0395 (180deg=-0.219) USER MOD Single : A 42 SER OG : rot 180:sc= -1.35 USER MOD Single : A 43 THR OG1 : rot -20:sc= 0.519 USER MOD Single : A 45 THR OG1 : rot 96:sc= 0.151 USER MOD Single : A 48 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-4.9!) USER MOD Single : A 49 MET CE :methyl 179:sc= -7! (180deg=-7.06!) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -1.83 (180deg=-2.89!) USER MOD Single : A 54 HIS : no HD1:sc= -0.584 K(o=-0.58,f=0.091) USER MOD Single : A 63 SER OG : rot 27:sc= 0.11 USER MOD Single : A 64 GLN : amide:sc= -4.48! C(o=-4.5!,f=-4.6!) USER MOD Single : A 69 SER OG : rot -43:sc= 1.13 USER MOD Single : A 74 THR OG1 : rot 99:sc= 1.35 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -126:sc= -0.945 (180deg=-1.74) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.0244 (180deg=-0.158) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -3.62 K(o=-3.6,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 24 -12.583 -3.216 1.988 1.00 0.00 N ATOM 45 CA CYS A 24 -11.398 -3.766 1.338 1.00 0.00 C ATOM 46 C CYS A 24 -10.188 -3.653 2.263 1.00 0.00 C ATOM 47 O CYS A 24 -10.139 -2.780 3.129 1.00 0.00 O ATOM 48 CB CYS A 24 -11.136 -3.037 0.014 1.00 0.00 C ATOM 49 SG CYS A 24 -12.631 -2.731 -0.957 1.00 0.00 S ATOM 0 HA CYS A 24 -11.570 -4.821 1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.649 -2.085 0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.440 -3.626 -0.583 1.00 0.00 H new ATOM 0 HG CYS A 24 -13.676 -2.842 -0.192 1.00 0.00 H new ATOM 55 N GLN A 25 -9.215 -4.539 2.079 1.00 0.00 N ATOM 56 CA GLN A 25 -8.017 -4.542 2.904 1.00 0.00 C ATOM 57 C GLN A 25 -6.962 -5.454 2.297 1.00 0.00 C ATOM 58 O GLN A 25 -7.257 -6.578 1.893 1.00 0.00 O ATOM 59 CB GLN A 25 -8.349 -5.001 4.325 1.00 0.00 C ATOM 60 CG GLN A 25 -8.920 -6.409 4.390 1.00 0.00 C ATOM 61 CD GLN A 25 -9.234 -6.844 5.808 1.00 0.00 C ATOM 62 OE1 GLN A 25 -8.581 -6.415 6.760 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.237 -7.701 5.956 1.00 0.00 N ATOM 0 H GLN A 25 -9.235 -5.265 1.363 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.624 -3.526 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.446 -4.955 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.065 -4.307 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.828 -6.457 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.208 -7.107 3.949 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.751 -8.030 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.494 -8.030 6.887 1.00 0.00 H new ATOM 72 N LEU A 26 -5.735 -4.964 2.235 1.00 0.00 N ATOM 73 CA LEU A 26 -4.634 -5.741 1.666 1.00 0.00 C ATOM 74 C LEU A 26 -3.381 -5.639 2.523 1.00 0.00 C ATOM 75 O LEU A 26 -3.294 -4.799 3.419 1.00 0.00 O ATOM 76 CB LEU A 26 -4.331 -5.271 0.244 1.00 0.00 C ATOM 77 CG LEU A 26 -3.590 -3.937 0.135 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.298 -3.610 -1.321 1.00 0.00 C ATOM 79 CD2 LEU A 26 -4.398 -2.825 0.786 1.00 0.00 C ATOM 0 H LEU A 26 -5.472 -4.037 2.569 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.944 -6.786 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.738 -6.038 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.271 -5.190 -0.301 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.640 -4.023 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.771 -2.658 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.679 -4.396 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.235 -3.541 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.856 -1.883 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.363 -2.736 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.555 -3.058 1.839 1.00 0.00 H new ATOM 91 N ARG A 27 -2.398 -6.486 2.225 1.00 0.00 N ATOM 92 CA ARG A 27 -1.154 -6.495 2.980 1.00 0.00 C ATOM 93 C ARG A 27 -0.076 -5.666 2.290 1.00 0.00 C ATOM 94 O ARG A 27 -0.138 -5.422 1.086 1.00 0.00 O ATOM 95 CB ARG A 27 -0.661 -7.932 3.171 1.00 0.00 C ATOM 96 CG ARG A 27 -1.575 -8.782 4.037 1.00 0.00 C ATOM 97 CD ARG A 27 -1.040 -10.198 4.186 1.00 0.00 C ATOM 98 NE ARG A 27 -1.907 -11.029 5.017 1.00 0.00 N ATOM 99 CZ ARG A 27 -1.545 -12.208 5.518 1.00 0.00 C ATOM 100 NH1 ARG A 27 -0.334 -12.696 5.279 1.00 0.00 N ATOM 101 NH2 ARG A 27 -2.396 -12.901 6.262 1.00 0.00 N ATOM 0 H ARG A 27 -2.441 -7.170 1.470 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.354 -6.048 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.559 -8.404 2.194 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.332 -7.909 3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.676 -8.324 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.571 -8.812 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.939 -10.652 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.043 -10.164 4.625 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.845 -10.686 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.326 -12.167 4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.063 -13.600 5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.328 -12.531 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.119 -13.804 6.646 1.00 0.00 H new ATOM 115 N LEU A 28 0.905 -5.222 3.068 1.00 0.00 N ATOM 116 CA LEU A 28 2.015 -4.436 2.540 1.00 0.00 C ATOM 117 C LEU A 28 3.339 -5.040 2.979 1.00 0.00 C ATOM 118 O LEU A 28 3.390 -5.798 3.943 1.00 0.00 O ATOM 119 CB LEU A 28 1.960 -2.996 3.047 1.00 0.00 C ATOM 120 CG LEU A 28 0.803 -2.146 2.520 1.00 0.00 C ATOM 121 CD1 LEU A 28 0.938 -1.945 1.021 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.538 -2.783 2.855 1.00 0.00 C ATOM 0 H LEU A 28 0.954 -5.394 4.072 1.00 0.00 H new ATOM 0 HA LEU A 28 1.933 -4.443 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.904 -3.016 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.896 -2.503 2.785 1.00 0.00 H new ATOM 0 HG LEU A 28 0.844 -1.172 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.108 -1.338 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.879 -1.439 0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.924 -2.914 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.344 -2.159 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.595 -3.772 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.637 -2.875 3.937 1.00 0.00 H new ATOM 134 N ARG A 29 4.402 -4.696 2.269 1.00 0.00 N ATOM 135 CA ARG A 29 5.741 -5.170 2.597 1.00 0.00 C ATOM 136 C ARG A 29 6.709 -3.994 2.551 1.00 0.00 C ATOM 137 O ARG A 29 7.223 -3.641 1.493 1.00 0.00 O ATOM 138 CB ARG A 29 6.179 -6.267 1.626 1.00 0.00 C ATOM 139 CG ARG A 29 7.491 -6.932 2.012 1.00 0.00 C ATOM 140 CD ARG A 29 7.303 -7.896 3.172 1.00 0.00 C ATOM 141 NE ARG A 29 6.412 -9.001 2.823 1.00 0.00 N ATOM 142 CZ ARG A 29 6.259 -10.094 3.565 1.00 0.00 C ATOM 143 NH1 ARG A 29 6.931 -10.233 4.701 1.00 0.00 N ATOM 144 NH2 ARG A 29 5.428 -11.049 3.171 1.00 0.00 N ATOM 0 H ARG A 29 4.364 -4.084 1.454 1.00 0.00 H new ATOM 0 HA ARG A 29 5.737 -5.597 3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.399 -7.026 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.278 -5.840 0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.896 -7.468 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.221 -6.170 2.285 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.272 -8.293 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.896 -7.358 4.029 1.00 0.00 H new ATOM 0 HE ARG A 29 5.875 -8.929 1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.569 -9.499 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.809 -11.074 5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.907 -10.945 2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.309 -11.888 3.739 1.00 0.00 H new ATOM 158 N LEU A 30 6.950 -3.389 3.707 1.00 0.00 N ATOM 159 CA LEU A 30 7.821 -2.222 3.784 1.00 0.00 C ATOM 160 C LEU A 30 9.212 -2.562 4.300 1.00 0.00 C ATOM 161 O LEU A 30 9.467 -3.673 4.747 1.00 0.00 O ATOM 162 CB LEU A 30 7.217 -1.153 4.689 1.00 0.00 C ATOM 163 CG LEU A 30 5.754 -1.360 5.122 1.00 0.00 C ATOM 164 CD1 LEU A 30 5.469 -0.568 6.383 1.00 0.00 C ATOM 165 CD2 LEU A 30 4.784 -0.956 4.024 1.00 0.00 C ATOM 0 H LEU A 30 6.557 -3.685 4.601 1.00 0.00 H new ATOM 0 HA LEU A 30 7.913 -1.848 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.831 -1.081 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.288 -0.194 4.177 1.00 0.00 H new ATOM 0 HG LEU A 30 5.611 -2.422 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.432 -0.720 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.130 -0.905 7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.640 0.492 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.761 -1.116 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.926 0.098 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.968 -1.560 3.135 1.00 0.00 H new ATOM 177 N SER A 31 10.113 -1.578 4.222 1.00 0.00 N ATOM 178 CA SER A 31 11.498 -1.742 4.674 1.00 0.00 C ATOM 179 C SER A 31 12.142 -2.997 4.085 1.00 0.00 C ATOM 180 O SER A 31 13.281 -3.321 4.410 1.00 0.00 O ATOM 181 CB SER A 31 11.557 -1.797 6.202 1.00 0.00 C ATOM 182 OG SER A 31 10.902 -2.950 6.697 1.00 0.00 O ATOM 0 H SER A 31 9.905 -0.652 3.847 1.00 0.00 H new ATOM 0 HA SER A 31 12.060 -0.878 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.597 -1.797 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.092 -0.904 6.619 1.00 0.00 H new ATOM 0 HG SER A 31 10.629 -3.519 5.947 1.00 0.00 H new ATOM 188 N THR A 32 11.397 -3.689 3.225 1.00 0.00 N ATOM 189 CA THR A 32 11.852 -4.917 2.570 1.00 0.00 C ATOM 190 C THR A 32 11.530 -6.121 3.441 1.00 0.00 C ATOM 191 O THR A 32 12.082 -7.206 3.252 1.00 0.00 O ATOM 192 CB THR A 32 13.363 -4.922 2.239 1.00 0.00 C ATOM 193 OG1 THR A 32 14.139 -5.092 3.431 1.00 0.00 O ATOM 194 CG2 THR A 32 13.776 -3.639 1.530 1.00 0.00 C ATOM 0 H THR A 32 10.452 -3.412 2.960 1.00 0.00 H new ATOM 0 HA THR A 32 11.317 -4.968 1.621 1.00 0.00 H new ATOM 0 HB THR A 32 13.552 -5.761 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.867 -4.426 4.096 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.843 -3.672 1.310 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.217 -3.541 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.564 -2.784 2.172 1.00 0.00 H new ATOM 202 N GLY A 33 10.630 -5.919 4.399 1.00 0.00 N ATOM 203 CA GLY A 33 10.240 -6.994 5.287 1.00 0.00 C ATOM 204 C GLY A 33 9.291 -6.509 6.356 1.00 0.00 C ATOM 205 O GLY A 33 9.288 -7.014 7.479 1.00 0.00 O ATOM 0 H GLY A 33 10.165 -5.028 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.766 -7.789 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.127 -7.423 5.753 1.00 0.00 H new ATOM 209 N LYS A 34 8.485 -5.519 5.999 1.00 0.00 N ATOM 210 CA LYS A 34 7.530 -4.938 6.917 1.00 0.00 C ATOM 211 C LYS A 34 6.113 -5.236 6.444 1.00 0.00 C ATOM 212 O LYS A 34 5.485 -4.424 5.770 1.00 0.00 O ATOM 213 CB LYS A 34 7.775 -3.433 6.999 1.00 0.00 C ATOM 214 CG LYS A 34 7.720 -2.863 8.403 1.00 0.00 C ATOM 215 CD LYS A 34 6.585 -3.447 9.223 1.00 0.00 C ATOM 216 CE LYS A 34 5.243 -3.218 8.559 1.00 0.00 C ATOM 217 NZ LYS A 34 4.490 -2.102 9.193 1.00 0.00 N ATOM 0 H LYS A 34 8.478 -5.101 5.068 1.00 0.00 H new ATOM 0 HA LYS A 34 7.652 -5.371 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.752 -3.213 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.034 -2.923 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.666 -3.057 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.605 -1.781 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.746 -4.516 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.582 -2.996 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.394 -2.999 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.651 -4.132 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.585 -1.968 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.308 -2.329 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.050 -1.228 9.134 1.00 0.00 H new ATOM 231 N ASP A 35 5.612 -6.407 6.807 1.00 0.00 N ATOM 232 CA ASP A 35 4.295 -6.829 6.394 1.00 0.00 C ATOM 233 C ASP A 35 3.235 -6.391 7.384 1.00 0.00 C ATOM 234 O ASP A 35 3.238 -6.773 8.554 1.00 0.00 O ATOM 235 CB ASP A 35 4.257 -8.344 6.201 1.00 0.00 C ATOM 236 CG ASP A 35 2.892 -8.843 5.768 1.00 0.00 C ATOM 237 OD1 ASP A 35 2.644 -8.906 4.546 1.00 0.00 O ATOM 238 OD2 ASP A 35 2.073 -9.170 6.651 1.00 0.00 O ATOM 0 H ASP A 35 6.107 -7.081 7.391 1.00 0.00 H new ATOM 0 HA ASP A 35 4.075 -6.348 5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.998 -8.630 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.539 -8.833 7.134 1.00 0.00 H new ATOM 243 N LEU A 36 2.335 -5.580 6.876 1.00 0.00 N ATOM 244 CA LEU A 36 1.223 -5.052 7.645 1.00 0.00 C ATOM 245 C LEU A 36 0.102 -4.701 6.686 1.00 0.00 C ATOM 246 O LEU A 36 0.330 -4.042 5.672 1.00 0.00 O ATOM 247 CB LEU A 36 1.643 -3.822 8.452 1.00 0.00 C ATOM 248 CG LEU A 36 0.597 -3.324 9.451 1.00 0.00 C ATOM 249 CD1 LEU A 36 0.214 -4.434 10.417 1.00 0.00 C ATOM 250 CD2 LEU A 36 1.115 -2.113 10.211 1.00 0.00 C ATOM 0 H LEU A 36 2.352 -5.263 5.907 1.00 0.00 H new ATOM 0 HA LEU A 36 0.885 -5.805 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.560 -4.055 8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.878 -3.013 7.760 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.292 -3.026 8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.531 -4.063 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.200 -5.274 9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.098 -4.762 10.964 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.356 -1.774 10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.020 -2.384 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.340 -1.311 9.508 1.00 0.00 H new ATOM 262 N LYS A 37 -1.103 -5.146 6.995 1.00 0.00 N ATOM 263 CA LYS A 37 -2.232 -4.900 6.117 1.00 0.00 C ATOM 264 C LYS A 37 -3.035 -3.671 6.532 1.00 0.00 C ATOM 265 O LYS A 37 -3.396 -3.505 7.696 1.00 0.00 O ATOM 266 CB LYS A 37 -3.118 -6.145 6.057 1.00 0.00 C ATOM 267 CG LYS A 37 -4.208 -6.199 7.120 1.00 0.00 C ATOM 268 CD LYS A 37 -3.621 -6.305 8.518 1.00 0.00 C ATOM 269 CE LYS A 37 -4.711 -6.383 9.575 1.00 0.00 C ATOM 270 NZ LYS A 37 -5.587 -5.180 9.560 1.00 0.00 N ATOM 0 H LYS A 37 -1.324 -5.675 7.839 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.842 -4.688 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.585 -6.196 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.488 -7.029 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.828 -5.305 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.858 -7.053 6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.987 -7.189 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.985 -5.442 8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.316 -7.274 9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.255 -6.488 10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.743 -4.852 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.130 -4.425 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.501 -5.421 9.125 1.00 0.00 H new ATOM 284 N LEU A 38 -3.304 -2.811 5.553 1.00 0.00 N ATOM 285 CA LEU A 38 -4.073 -1.596 5.778 1.00 0.00 C ATOM 286 C LEU A 38 -5.470 -1.741 5.173 1.00 0.00 C ATOM 287 O LEU A 38 -5.649 -2.412 4.150 1.00 0.00 O ATOM 288 CB LEU A 38 -3.346 -0.385 5.168 1.00 0.00 C ATOM 289 CG LEU A 38 -4.225 0.834 4.866 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.672 1.507 6.155 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.475 1.819 3.983 1.00 0.00 C ATOM 0 H LEU A 38 -2.996 -2.938 4.589 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.172 -1.434 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.553 -0.078 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.865 -0.701 4.243 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.113 0.495 4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.295 2.370 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.245 0.800 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.797 1.834 6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.111 2.680 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.571 2.150 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.205 1.334 3.045 1.00 0.00 H new ATOM 303 N VAL A 39 -6.453 -1.120 5.818 1.00 0.00 N ATOM 304 CA VAL A 39 -7.830 -1.171 5.347 1.00 0.00 C ATOM 305 C VAL A 39 -8.090 -0.094 4.296 1.00 0.00 C ATOM 306 O VAL A 39 -7.747 1.072 4.487 1.00 0.00 O ATOM 307 CB VAL A 39 -8.832 -0.999 6.508 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.676 0.365 7.163 1.00 0.00 C ATOM 309 CG2 VAL A 39 -10.258 -1.203 6.017 1.00 0.00 C ATOM 0 H VAL A 39 -6.319 -0.575 6.670 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.976 -2.154 4.900 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.616 -1.758 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.393 0.461 7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.664 0.466 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.858 1.146 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.951 -1.078 6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.485 -0.470 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.361 -2.208 5.607 1.00 0.00 H new ATOM 319 N VAL A 40 -8.695 -0.500 3.187 1.00 0.00 N ATOM 320 CA VAL A 40 -9.006 0.416 2.097 1.00 0.00 C ATOM 321 C VAL A 40 -10.411 0.158 1.565 1.00 0.00 C ATOM 322 O VAL A 40 -11.030 -0.852 1.895 1.00 0.00 O ATOM 323 CB VAL A 40 -7.983 0.271 0.953 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.635 0.836 1.371 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.846 -1.186 0.543 1.00 0.00 C ATOM 0 H VAL A 40 -8.982 -1.464 3.018 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.955 1.432 2.488 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.343 0.838 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.924 0.726 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.744 1.892 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.269 0.296 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.120 -1.270 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.508 -1.774 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.812 -1.561 0.204 1.00 0.00 H new ATOM 335 N ARG A 41 -10.912 1.067 0.734 1.00 0.00 N ATOM 336 CA ARG A 41 -12.243 0.925 0.169 1.00 0.00 C ATOM 337 C ARG A 41 -12.384 1.722 -1.124 1.00 0.00 C ATOM 338 O ARG A 41 -12.559 2.936 -1.089 1.00 0.00 O ATOM 339 CB ARG A 41 -13.294 1.376 1.187 1.00 0.00 C ATOM 340 CG ARG A 41 -14.728 1.234 0.700 1.00 0.00 C ATOM 341 CD ARG A 41 -15.196 2.475 -0.043 1.00 0.00 C ATOM 342 NE ARG A 41 -15.041 3.687 0.759 1.00 0.00 N ATOM 343 CZ ARG A 41 -15.329 4.908 0.318 1.00 0.00 C ATOM 344 NH1 ARG A 41 -15.788 5.084 -0.915 1.00 0.00 N ATOM 345 NH2 ARG A 41 -15.159 5.958 1.111 1.00 0.00 N ATOM 0 H ARG A 41 -10.415 1.907 0.439 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.401 -0.127 -0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.172 0.795 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.111 2.419 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.805 0.367 0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.384 1.050 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.629 2.578 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.243 2.357 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.692 3.591 1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.921 4.281 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.007 6.023 -1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.807 5.829 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.380 6.894 0.772 1.00 0.00 H new ATOM 359 N SER A 42 -12.280 1.015 -2.251 1.00 0.00 N ATOM 360 CA SER A 42 -12.409 1.576 -3.604 1.00 0.00 C ATOM 361 C SER A 42 -11.730 2.936 -3.801 1.00 0.00 C ATOM 362 O SER A 42 -11.005 3.128 -4.777 1.00 0.00 O ATOM 363 CB SER A 42 -13.886 1.685 -3.985 1.00 0.00 C ATOM 364 OG SER A 42 -14.564 2.599 -3.143 1.00 0.00 O ATOM 0 H SER A 42 -12.099 0.011 -2.252 1.00 0.00 H new ATOM 0 HA SER A 42 -11.884 0.880 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.974 2.007 -5.022 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.356 0.704 -3.915 1.00 0.00 H new ATOM 0 HG SER A 42 -15.506 2.652 -3.408 1.00 0.00 H new ATOM 370 N THR A 43 -11.955 3.871 -2.894 1.00 0.00 N ATOM 371 CA THR A 43 -11.341 5.184 -2.993 1.00 0.00 C ATOM 372 C THR A 43 -10.025 5.228 -2.229 1.00 0.00 C ATOM 373 O THR A 43 -9.267 6.190 -2.345 1.00 0.00 O ATOM 374 CB THR A 43 -12.274 6.285 -2.455 1.00 0.00 C ATOM 375 OG1 THR A 43 -11.641 7.565 -2.575 1.00 0.00 O ATOM 376 CG2 THR A 43 -12.634 6.029 -0.999 1.00 0.00 C ATOM 0 H THR A 43 -12.558 3.746 -2.081 1.00 0.00 H new ATOM 0 HA THR A 43 -11.152 5.368 -4.051 1.00 0.00 H new ATOM 0 HB THR A 43 -13.190 6.274 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.672 7.444 -2.658 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.293 6.820 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.141 5.068 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.726 6.015 -0.397 1.00 0.00 H new ATOM 384 N ASP A 44 -9.752 4.185 -1.445 1.00 0.00 N ATOM 385 CA ASP A 44 -8.519 4.135 -0.665 1.00 0.00 C ATOM 386 C ASP A 44 -7.434 3.317 -1.370 1.00 0.00 C ATOM 387 O ASP A 44 -6.693 2.571 -0.732 1.00 0.00 O ATOM 388 CB ASP A 44 -8.780 3.571 0.731 1.00 0.00 C ATOM 389 CG ASP A 44 -9.928 4.271 1.432 1.00 0.00 C ATOM 390 OD1 ASP A 44 -11.084 3.826 1.268 1.00 0.00 O ATOM 391 OD2 ASP A 44 -9.672 5.266 2.142 1.00 0.00 O ATOM 0 H ASP A 44 -10.360 3.374 -1.335 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.158 5.159 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.000 2.506 0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.877 3.668 1.334 1.00 0.00 H new ATOM 396 N THR A 45 -7.349 3.465 -2.688 1.00 0.00 N ATOM 397 CA THR A 45 -6.350 2.755 -3.486 1.00 0.00 C ATOM 398 C THR A 45 -4.936 3.067 -3.005 1.00 0.00 C ATOM 399 O THR A 45 -4.744 3.969 -2.201 1.00 0.00 O ATOM 400 CB THR A 45 -6.467 3.136 -4.969 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.424 4.561 -5.110 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.763 2.603 -5.559 1.00 0.00 C ATOM 0 H THR A 45 -7.962 4.073 -3.230 1.00 0.00 H new ATOM 0 HA THR A 45 -6.540 1.688 -3.367 1.00 0.00 H new ATOM 0 HB THR A 45 -5.630 2.692 -5.507 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.508 4.842 -5.318 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.827 2.884 -6.610 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.783 1.517 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.610 3.026 -5.019 1.00 0.00 H new ATOM 410 N VAL A 46 -3.957 2.317 -3.516 1.00 0.00 N ATOM 411 CA VAL A 46 -2.540 2.483 -3.157 1.00 0.00 C ATOM 412 C VAL A 46 -2.180 3.924 -2.758 1.00 0.00 C ATOM 413 O VAL A 46 -1.299 4.137 -1.928 1.00 0.00 O ATOM 414 CB VAL A 46 -1.623 2.006 -4.307 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.263 2.683 -4.252 1.00 0.00 C ATOM 416 CG2 VAL A 46 -1.461 0.492 -4.254 1.00 0.00 C ATOM 0 H VAL A 46 -4.122 1.573 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.376 1.860 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.095 2.284 -5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.356 2.324 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.390 3.762 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.222 2.449 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.813 0.167 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.016 0.207 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.437 0.018 -4.355 1.00 0.00 H new ATOM 426 N PHE A 47 -2.850 4.902 -3.356 1.00 0.00 N ATOM 427 CA PHE A 47 -2.602 6.305 -3.030 1.00 0.00 C ATOM 428 C PHE A 47 -3.009 6.569 -1.595 1.00 0.00 C ATOM 429 O PHE A 47 -2.174 6.918 -0.762 1.00 0.00 O ATOM 430 CB PHE A 47 -3.360 7.213 -3.996 1.00 0.00 C ATOM 431 CG PHE A 47 -3.302 8.670 -3.638 1.00 0.00 C ATOM 432 CD1 PHE A 47 -4.249 9.227 -2.794 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.303 9.482 -4.147 1.00 0.00 C ATOM 434 CE1 PHE A 47 -4.200 10.568 -2.464 1.00 0.00 C ATOM 435 CE2 PHE A 47 -2.248 10.824 -3.821 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.197 11.367 -2.978 1.00 0.00 C ATOM 0 H PHE A 47 -3.567 4.753 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.539 6.522 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.954 7.079 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.403 6.899 -4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.035 8.606 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.558 9.062 -4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.944 10.991 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.464 11.447 -4.225 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.155 12.415 -2.721 1.00 0.00 H new ATOM 446 N HIS A 48 -4.291 6.415 -1.299 1.00 0.00 N ATOM 447 CA HIS A 48 -4.746 6.585 0.065 1.00 0.00 C ATOM 448 C HIS A 48 -4.102 5.494 0.897 1.00 0.00 C ATOM 449 O HIS A 48 -3.681 5.715 2.027 1.00 0.00 O ATOM 450 CB HIS A 48 -6.254 6.497 0.165 1.00 0.00 C ATOM 451 CG HIS A 48 -6.972 7.538 -0.637 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.093 7.480 -2.010 1.00 0.00 N ATOM 453 CD2 HIS A 48 -7.605 8.672 -0.254 1.00 0.00 C ATOM 454 CE1 HIS A 48 -7.767 8.533 -2.436 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.090 9.271 -1.390 1.00 0.00 N ATOM 0 H HIS A 48 -5.019 6.177 -1.973 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.462 7.574 0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.574 5.510 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.546 6.591 1.211 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.709 9.037 0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.012 8.753 -3.465 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.615 10.145 -1.421 1.00 0.00 H new ATOM 464 N MET A 49 -4.047 4.296 0.318 1.00 0.00 N ATOM 465 CA MET A 49 -3.387 3.173 0.953 1.00 0.00 C ATOM 466 C MET A 49 -2.033 3.651 1.446 1.00 0.00 C ATOM 467 O MET A 49 -1.606 3.357 2.561 1.00 0.00 O ATOM 468 CB MET A 49 -3.183 2.043 -0.052 1.00 0.00 C ATOM 469 CG MET A 49 -2.866 0.703 0.586 1.00 0.00 C ATOM 470 SD MET A 49 -2.095 -0.438 -0.575 1.00 0.00 S ATOM 471 CE MET A 49 -3.388 -0.589 -1.808 1.00 0.00 C ATOM 0 H MET A 49 -4.455 4.085 -0.593 1.00 0.00 H new ATOM 0 HA MET A 49 -3.995 2.800 1.777 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.083 1.942 -0.658 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.372 2.313 -0.728 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.203 0.856 1.437 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.784 0.260 0.972 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.054 -1.252 -2.606 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.285 -1.001 -1.346 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.612 0.394 -2.223 1.00 0.00 H new ATOM 481 N LYS A 50 -1.382 4.414 0.573 1.00 0.00 N ATOM 482 CA LYS A 50 -0.088 4.999 0.853 1.00 0.00 C ATOM 483 C LYS A 50 -0.263 6.107 1.877 1.00 0.00 C ATOM 484 O LYS A 50 0.582 6.305 2.751 1.00 0.00 O ATOM 485 CB LYS A 50 0.532 5.552 -0.434 1.00 0.00 C ATOM 486 CG LYS A 50 1.812 6.337 -0.210 1.00 0.00 C ATOM 487 CD LYS A 50 2.391 6.849 -1.519 1.00 0.00 C ATOM 488 CE LYS A 50 1.785 8.185 -1.919 1.00 0.00 C ATOM 489 NZ LYS A 50 0.348 8.062 -2.283 1.00 0.00 N ATOM 0 H LYS A 50 -1.745 4.641 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 50 0.583 4.238 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.739 4.724 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.195 6.195 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.612 7.178 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.545 5.704 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.472 6.954 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.211 6.118 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.891 8.891 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.339 8.595 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.094 8.816 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.180 7.135 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.236 8.149 -1.427 1.00 0.00 H new ATOM 503 N ARG A 51 -1.376 6.833 1.759 1.00 0.00 N ATOM 504 CA ARG A 51 -1.682 7.902 2.694 1.00 0.00 C ATOM 505 C ARG A 51 -1.679 7.343 4.115 1.00 0.00 C ATOM 506 O ARG A 51 -0.855 7.719 4.960 1.00 0.00 O ATOM 507 CB ARG A 51 -3.040 8.538 2.384 1.00 0.00 C ATOM 508 CG ARG A 51 -3.014 9.487 1.197 1.00 0.00 C ATOM 509 CD ARG A 51 -2.171 10.717 1.493 1.00 0.00 C ATOM 510 NE ARG A 51 -2.262 11.717 0.430 1.00 0.00 N ATOM 511 CZ ARG A 51 -1.944 13.000 0.592 1.00 0.00 C ATOM 512 NH1 ARG A 51 -1.516 13.443 1.768 1.00 0.00 N ATOM 513 NH2 ARG A 51 -2.055 13.845 -0.424 1.00 0.00 N ATOM 0 H ARG A 51 -2.073 6.697 1.027 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.921 8.677 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.765 7.748 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.387 9.080 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.614 8.971 0.324 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.031 9.791 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.495 11.160 2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.130 10.420 1.622 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.588 11.415 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.429 12.799 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.274 14.427 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.384 13.512 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.811 14.828 -0.299 1.00 0.00 H new ATOM 527 N ARG A 52 -2.605 6.424 4.360 1.00 0.00 N ATOM 528 CA ARG A 52 -2.715 5.777 5.651 1.00 0.00 C ATOM 529 C ARG A 52 -1.445 4.994 5.958 1.00 0.00 C ATOM 530 O ARG A 52 -1.162 4.699 7.116 1.00 0.00 O ATOM 531 CB ARG A 52 -3.930 4.849 5.686 1.00 0.00 C ATOM 532 CG ARG A 52 -5.255 5.579 5.535 1.00 0.00 C ATOM 533 CD ARG A 52 -6.433 4.629 5.677 1.00 0.00 C ATOM 534 NE ARG A 52 -7.712 5.326 5.569 1.00 0.00 N ATOM 535 CZ ARG A 52 -8.871 4.817 5.985 1.00 0.00 C ATOM 536 NH1 ARG A 52 -8.915 3.610 6.532 1.00 0.00 N ATOM 537 NH2 ARG A 52 -9.988 5.520 5.851 1.00 0.00 N ATOM 0 H ARG A 52 -3.292 6.112 3.674 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.846 6.546 6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.837 4.112 4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.932 4.301 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.327 6.364 6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.294 6.066 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.373 3.859 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.376 4.122 6.640 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.718 6.256 5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.059 3.066 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.805 3.226 6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.959 6.449 5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.876 5.132 6.169 1.00 0.00 H new ATOM 551 N LEU A 53 -0.683 4.641 4.917 1.00 0.00 N ATOM 552 CA LEU A 53 0.567 3.915 5.118 1.00 0.00 C ATOM 553 C LEU A 53 1.479 4.718 6.035 1.00 0.00 C ATOM 554 O LEU A 53 1.908 4.232 7.078 1.00 0.00 O ATOM 555 CB LEU A 53 1.256 3.631 3.784 1.00 0.00 C ATOM 556 CG LEU A 53 1.416 2.145 3.446 1.00 0.00 C ATOM 557 CD1 LEU A 53 2.321 1.461 4.458 1.00 0.00 C ATOM 558 CD2 LEU A 53 0.058 1.463 3.408 1.00 0.00 C ATOM 0 H LEU A 53 -0.908 4.844 3.943 1.00 0.00 H new ATOM 0 HA LEU A 53 0.346 2.955 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.687 4.111 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.242 4.095 3.795 1.00 0.00 H new ATOM 0 HG LEU A 53 1.876 2.064 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.422 0.407 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.303 1.934 4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.887 1.552 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.187 0.408 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.423 1.556 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.565 1.935 2.648 1.00 0.00 H new ATOM 570 N HIS A 54 1.773 5.953 5.639 1.00 0.00 N ATOM 571 CA HIS A 54 2.598 6.832 6.454 1.00 0.00 C ATOM 572 C HIS A 54 1.941 7.029 7.814 1.00 0.00 C ATOM 573 O HIS A 54 2.618 7.114 8.839 1.00 0.00 O ATOM 574 CB HIS A 54 2.778 8.183 5.754 1.00 0.00 C ATOM 575 CG HIS A 54 3.413 9.236 6.613 1.00 0.00 C ATOM 576 ND1 HIS A 54 2.687 10.208 7.271 1.00 0.00 N ATOM 577 CD2 HIS A 54 4.712 9.472 6.916 1.00 0.00 C ATOM 578 CE1 HIS A 54 3.511 10.994 7.939 1.00 0.00 C ATOM 579 NE2 HIS A 54 4.744 10.569 7.741 1.00 0.00 N ATOM 0 H HIS A 54 1.453 6.364 4.762 1.00 0.00 H new ATOM 0 HA HIS A 54 3.579 6.378 6.592 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.388 8.040 4.862 1.00 0.00 H new ATOM 0 HB3 HIS A 54 1.804 8.540 5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.564 8.903 6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.224 11.841 8.545 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.586 10.988 8.137 1.00 0.00 H new ATOM 588 N ALA A 55 0.612 7.101 7.807 1.00 0.00 N ATOM 589 CA ALA A 55 -0.150 7.284 9.037 1.00 0.00 C ATOM 590 C ALA A 55 0.008 6.097 9.990 1.00 0.00 C ATOM 591 O ALA A 55 0.120 6.282 11.203 1.00 0.00 O ATOM 592 CB ALA A 55 -1.619 7.506 8.714 1.00 0.00 C ATOM 0 H ALA A 55 0.042 7.035 6.964 1.00 0.00 H new ATOM 0 HA ALA A 55 0.247 8.165 9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.179 7.641 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.725 8.395 8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.008 6.641 8.178 1.00 0.00 H new ATOM 598 N ALA A 56 0.015 4.882 9.445 1.00 0.00 N ATOM 599 CA ALA A 56 0.141 3.679 10.262 1.00 0.00 C ATOM 600 C ALA A 56 1.597 3.265 10.460 1.00 0.00 C ATOM 601 O ALA A 56 2.005 2.913 11.566 1.00 0.00 O ATOM 602 CB ALA A 56 -0.647 2.538 9.635 1.00 0.00 C ATOM 0 H ALA A 56 -0.065 4.706 8.444 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.268 3.909 11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.547 1.645 10.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.699 2.816 9.567 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.261 2.335 8.636 1.00 0.00 H new ATOM 608 N GLU A 57 2.377 3.308 9.386 1.00 0.00 N ATOM 609 CA GLU A 57 3.781 2.917 9.447 1.00 0.00 C ATOM 610 C GLU A 57 4.670 4.108 9.789 1.00 0.00 C ATOM 611 O GLU A 57 5.303 4.139 10.844 1.00 0.00 O ATOM 612 CB GLU A 57 4.217 2.310 8.111 1.00 0.00 C ATOM 613 CG GLU A 57 3.155 1.433 7.467 1.00 0.00 C ATOM 614 CD GLU A 57 2.686 0.316 8.378 1.00 0.00 C ATOM 615 OE1 GLU A 57 2.361 0.602 9.550 1.00 0.00 O ATOM 616 OE2 GLU A 57 2.637 -0.844 7.919 1.00 0.00 O ATOM 0 H GLU A 57 2.062 3.609 8.464 1.00 0.00 H new ATOM 0 HA GLU A 57 3.889 2.172 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.478 3.115 7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.119 1.719 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.301 2.050 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.553 1.003 6.548 1.00 0.00 H new ATOM 623 N GLY A 58 4.713 5.086 8.892 1.00 0.00 N ATOM 624 CA GLY A 58 5.529 6.265 9.121 1.00 0.00 C ATOM 625 C GLY A 58 6.300 6.693 7.886 1.00 0.00 C ATOM 626 O GLY A 58 6.905 7.765 7.868 1.00 0.00 O ATOM 0 H GLY A 58 4.199 5.084 8.011 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.891 7.086 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.231 6.065 9.931 1.00 0.00 H new ATOM 630 N VAL A 59 6.286 5.854 6.852 1.00 0.00 N ATOM 631 CA VAL A 59 6.984 6.154 5.615 1.00 0.00 C ATOM 632 C VAL A 59 6.089 6.916 4.638 1.00 0.00 C ATOM 633 O VAL A 59 5.205 6.338 4.006 1.00 0.00 O ATOM 634 CB VAL A 59 7.481 4.856 4.952 1.00 0.00 C ATOM 635 CG1 VAL A 59 8.232 5.157 3.669 1.00 0.00 C ATOM 636 CG2 VAL A 59 8.365 4.079 5.913 1.00 0.00 C ATOM 0 H VAL A 59 5.796 4.960 6.852 1.00 0.00 H new ATOM 0 HA VAL A 59 7.837 6.786 5.864 1.00 0.00 H new ATOM 0 HB VAL A 59 6.613 4.246 4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.573 4.224 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.571 5.675 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.092 5.789 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.709 3.164 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.225 4.689 6.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.796 3.826 6.808 1.00 0.00 H new ATOM 682 N SER A 63 9.210 8.509 0.918 1.00 0.00 N ATOM 683 CA SER A 63 9.986 7.430 1.508 1.00 0.00 C ATOM 684 C SER A 63 9.395 6.087 1.123 1.00 0.00 C ATOM 685 O SER A 63 10.109 5.101 0.965 1.00 0.00 O ATOM 686 CB SER A 63 10.022 7.578 3.032 1.00 0.00 C ATOM 687 OG SER A 63 10.507 8.856 3.407 1.00 0.00 O ATOM 0 HA SER A 63 11.006 7.483 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.022 7.431 3.439 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.658 6.804 3.461 1.00 0.00 H new ATOM 0 HG SER A 63 10.314 9.501 2.695 1.00 0.00 H new ATOM 693 N GLN A 64 8.084 6.063 0.953 1.00 0.00 N ATOM 694 CA GLN A 64 7.388 4.838 0.613 1.00 0.00 C ATOM 695 C GLN A 64 7.104 4.752 -0.884 1.00 0.00 C ATOM 696 O GLN A 64 6.364 5.563 -1.440 1.00 0.00 O ATOM 697 CB GLN A 64 6.103 4.741 1.450 1.00 0.00 C ATOM 698 CG GLN A 64 4.810 5.102 0.728 1.00 0.00 C ATOM 699 CD GLN A 64 4.283 3.981 -0.150 1.00 0.00 C ATOM 700 OE1 GLN A 64 4.615 3.885 -1.331 1.00 0.00 O ATOM 701 NE2 GLN A 64 3.444 3.128 0.426 1.00 0.00 N ATOM 0 H GLN A 64 7.481 6.880 1.046 1.00 0.00 H new ATOM 0 HA GLN A 64 8.025 3.986 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.014 3.722 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.207 5.394 2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.051 5.365 1.465 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.979 5.987 0.114 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.194 3.243 1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.049 2.358 -0.114 1.00 0.00 H new ATOM 710 N ARG A 65 7.726 3.775 -1.535 1.00 0.00 N ATOM 711 CA ARG A 65 7.527 3.560 -2.962 1.00 0.00 C ATOM 712 C ARG A 65 6.721 2.284 -3.192 1.00 0.00 C ATOM 713 O ARG A 65 7.105 1.209 -2.734 1.00 0.00 O ATOM 714 CB ARG A 65 8.870 3.486 -3.686 1.00 0.00 C ATOM 715 CG ARG A 65 9.587 4.825 -3.768 1.00 0.00 C ATOM 716 CD ARG A 65 10.954 4.691 -4.418 1.00 0.00 C ATOM 717 NE ARG A 65 11.917 4.032 -3.539 1.00 0.00 N ATOM 718 CZ ARG A 65 13.095 3.566 -3.946 1.00 0.00 C ATOM 719 NH1 ARG A 65 13.455 3.674 -5.219 1.00 0.00 N ATOM 720 NH2 ARG A 65 13.917 2.991 -3.079 1.00 0.00 N ATOM 0 H ARG A 65 8.372 3.119 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 65 6.969 4.403 -3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.512 2.770 -3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.710 3.106 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.980 5.529 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.699 5.240 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.861 4.123 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.326 5.680 -4.686 1.00 0.00 H new ATOM 0 HE ARG A 65 11.672 3.923 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.827 4.116 -5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.359 3.315 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.646 2.906 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.820 2.634 -3.392 1.00 0.00 H new ATOM 734 N TRP A 66 5.605 2.425 -3.908 1.00 0.00 N ATOM 735 CA TRP A 66 4.700 1.306 -4.195 1.00 0.00 C ATOM 736 C TRP A 66 5.306 0.295 -5.168 1.00 0.00 C ATOM 737 O TRP A 66 5.686 0.642 -6.284 1.00 0.00 O ATOM 738 CB TRP A 66 3.384 1.839 -4.769 1.00 0.00 C ATOM 739 CG TRP A 66 3.569 2.936 -5.780 1.00 0.00 C ATOM 740 CD1 TRP A 66 4.159 2.835 -7.009 1.00 0.00 C ATOM 741 CD2 TRP A 66 3.164 4.304 -5.642 1.00 0.00 C ATOM 742 NE1 TRP A 66 4.140 4.054 -7.643 1.00 0.00 N ATOM 743 CE2 TRP A 66 3.537 4.971 -6.825 1.00 0.00 C ATOM 744 CE3 TRP A 66 2.522 5.029 -4.634 1.00 0.00 C ATOM 745 CZ2 TRP A 66 3.288 6.326 -7.025 1.00 0.00 C ATOM 746 CZ3 TRP A 66 2.276 6.374 -4.836 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.659 7.010 -6.023 1.00 0.00 C ATOM 0 H TRP A 66 5.302 3.314 -4.305 1.00 0.00 H new ATOM 0 HA TRP A 66 4.522 0.787 -3.253 1.00 0.00 H new ATOM 0 HB2 TRP A 66 2.840 1.016 -5.233 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.765 2.210 -3.952 1.00 0.00 H new ATOM 0 HD1 TRP A 66 4.579 1.929 -7.421 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.514 4.245 -8.572 1.00 0.00 H new ATOM 0 HE3 TRP A 66 2.224 4.547 -3.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.582 6.819 -7.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.780 6.944 -4.065 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.453 8.063 -6.149 1.00 0.00 H new ATOM 758 N PHE A 67 5.361 -0.971 -4.749 1.00 0.00 N ATOM 759 CA PHE A 67 5.914 -2.027 -5.593 1.00 0.00 C ATOM 760 C PHE A 67 5.201 -3.359 -5.374 1.00 0.00 C ATOM 761 O PHE A 67 5.320 -3.974 -4.315 1.00 0.00 O ATOM 762 CB PHE A 67 7.409 -2.202 -5.335 1.00 0.00 C ATOM 763 CG PHE A 67 8.248 -1.082 -5.879 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.498 -0.988 -7.239 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.786 -0.126 -5.035 1.00 0.00 C ATOM 766 CE1 PHE A 67 9.269 0.040 -7.747 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.558 0.905 -5.538 1.00 0.00 C ATOM 768 CZ PHE A 67 9.800 0.988 -6.894 1.00 0.00 C ATOM 0 H PHE A 67 5.031 -1.286 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 67 5.759 -1.720 -6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.577 -2.282 -4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.739 -3.141 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.085 -1.727 -7.910 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.601 -0.186 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.456 0.102 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.972 1.645 -4.869 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.403 1.793 -7.288 1.00 0.00 H new ATOM 778 N PHE A 68 4.464 -3.800 -6.389 1.00 0.00 N ATOM 779 CA PHE A 68 3.743 -5.065 -6.325 1.00 0.00 C ATOM 780 C PHE A 68 4.416 -6.112 -7.207 1.00 0.00 C ATOM 781 O PHE A 68 4.437 -5.984 -8.432 1.00 0.00 O ATOM 782 CB PHE A 68 2.295 -4.871 -6.770 1.00 0.00 C ATOM 783 CG PHE A 68 1.465 -6.120 -6.679 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.464 -7.044 -7.712 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.688 -6.370 -5.559 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.700 -8.194 -7.630 1.00 0.00 C ATOM 787 CE2 PHE A 68 -0.078 -7.518 -5.472 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.071 -8.430 -6.508 1.00 0.00 C ATOM 0 H PHE A 68 4.351 -3.297 -7.269 1.00 0.00 H new ATOM 0 HA PHE A 68 3.757 -5.414 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.836 -4.095 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.285 -4.512 -7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.066 -6.864 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.681 -5.660 -4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.706 -8.906 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.681 -7.701 -4.595 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.668 -9.328 -6.442 1.00 0.00 H new ATOM 798 N SER A 69 4.969 -7.142 -6.578 1.00 0.00 N ATOM 799 CA SER A 69 5.642 -8.215 -7.305 1.00 0.00 C ATOM 800 C SER A 69 6.871 -7.700 -8.056 1.00 0.00 C ATOM 801 O SER A 69 7.418 -8.397 -8.910 1.00 0.00 O ATOM 802 CB SER A 69 4.675 -8.880 -8.285 1.00 0.00 C ATOM 803 OG SER A 69 5.308 -9.933 -8.991 1.00 0.00 O ATOM 0 H SER A 69 4.965 -7.258 -5.565 1.00 0.00 H new ATOM 0 HA SER A 69 5.977 -8.950 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.813 -9.268 -7.743 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.300 -8.139 -8.991 1.00 0.00 H new ATOM 0 HG SER A 69 6.205 -9.650 -9.266 1.00 0.00 H new ATOM 809 N GLY A 70 7.301 -6.481 -7.738 1.00 0.00 N ATOM 810 CA GLY A 70 8.464 -5.913 -8.396 1.00 0.00 C ATOM 811 C GLY A 70 8.105 -4.855 -9.424 1.00 0.00 C ATOM 812 O GLY A 70 8.941 -4.467 -10.241 1.00 0.00 O ATOM 0 H GLY A 70 6.866 -5.879 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.121 -5.474 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.025 -6.710 -8.884 1.00 0.00 H new ATOM 816 N ARG A 71 6.861 -4.387 -9.388 1.00 0.00 N ATOM 817 CA ARG A 71 6.399 -3.367 -10.324 1.00 0.00 C ATOM 818 C ARG A 71 5.790 -2.189 -9.567 1.00 0.00 C ATOM 819 O ARG A 71 5.200 -2.372 -8.507 1.00 0.00 O ATOM 820 CB ARG A 71 5.367 -3.959 -11.284 1.00 0.00 C ATOM 821 CG ARG A 71 5.880 -5.157 -12.068 1.00 0.00 C ATOM 822 CD ARG A 71 4.794 -5.746 -12.952 1.00 0.00 C ATOM 823 NE ARG A 71 5.265 -6.911 -13.698 1.00 0.00 N ATOM 824 CZ ARG A 71 5.094 -8.172 -13.301 1.00 0.00 C ATOM 825 NH1 ARG A 71 4.495 -8.442 -12.147 1.00 0.00 N ATOM 826 NH2 ARG A 71 5.533 -9.168 -14.059 1.00 0.00 N ATOM 0 H ARG A 71 6.155 -4.698 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 71 7.254 -3.012 -10.899 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.485 -4.257 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.049 -3.186 -11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.728 -4.856 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.242 -5.918 -11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.941 -6.031 -12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.444 -4.986 -13.650 1.00 0.00 H new ATOM 0 HE ARG A 71 5.755 -6.749 -14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.161 -7.681 -11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.369 -9.410 -11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.000 -8.968 -14.943 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.403 -10.134 -13.757 1.00 0.00 H new ATOM 840 N PRO A 72 5.908 -0.966 -10.110 1.00 0.00 N ATOM 841 CA PRO A 72 5.364 0.234 -9.464 1.00 0.00 C ATOM 842 C PRO A 72 3.840 0.241 -9.476 1.00 0.00 C ATOM 843 O PRO A 72 3.220 0.304 -10.537 1.00 0.00 O ATOM 844 CB PRO A 72 5.913 1.379 -10.318 1.00 0.00 C ATOM 845 CG PRO A 72 6.171 0.768 -11.653 1.00 0.00 C ATOM 846 CD PRO A 72 6.576 -0.655 -11.388 1.00 0.00 C ATOM 0 HA PRO A 72 5.646 0.302 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.197 2.198 -10.389 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.826 1.791 -9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.280 0.810 -12.280 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.958 1.305 -12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.248 -1.322 -12.186 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.658 -0.757 -11.311 1.00 0.00 H new ATOM 854 N LEU A 73 3.238 0.179 -8.289 1.00 0.00 N ATOM 855 CA LEU A 73 1.779 0.158 -8.183 1.00 0.00 C ATOM 856 C LEU A 73 1.179 1.556 -8.353 1.00 0.00 C ATOM 857 O LEU A 73 1.682 2.536 -7.808 1.00 0.00 O ATOM 858 CB LEU A 73 1.354 -0.456 -6.845 1.00 0.00 C ATOM 859 CG LEU A 73 0.127 -1.374 -6.909 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.270 -2.401 -8.023 1.00 0.00 C ATOM 861 CD2 LEU A 73 -0.108 -2.064 -5.577 1.00 0.00 C ATOM 0 H LEU A 73 3.731 0.143 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 73 1.394 -0.461 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.192 -1.024 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.148 0.351 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.740 -0.751 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.614 -3.039 -8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.372 -1.888 -8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.154 -3.013 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.984 -2.709 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.764 -2.665 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.273 -1.314 -4.803 1.00 0.00 H new ATOM 872 N THR A 74 0.087 1.631 -9.114 1.00 0.00 N ATOM 873 CA THR A 74 -0.591 2.900 -9.388 1.00 0.00 C ATOM 874 C THR A 74 -1.286 3.459 -8.147 1.00 0.00 C ATOM 875 O THR A 74 -1.434 2.773 -7.139 1.00 0.00 O ATOM 876 CB THR A 74 -1.637 2.731 -10.508 1.00 0.00 C ATOM 877 OG1 THR A 74 -1.148 1.820 -11.500 1.00 0.00 O ATOM 878 CG2 THR A 74 -1.960 4.065 -11.165 1.00 0.00 C ATOM 0 H THR A 74 -0.350 0.822 -9.555 1.00 0.00 H new ATOM 0 HA THR A 74 0.181 3.603 -9.702 1.00 0.00 H new ATOM 0 HB THR A 74 -2.548 2.335 -10.059 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.531 0.931 -11.345 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.700 3.914 -11.951 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.359 4.751 -10.418 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.053 4.487 -11.598 1.00 0.00 H new ATOM 886 N ASP A 75 -1.703 4.721 -8.241 1.00 0.00 N ATOM 887 CA ASP A 75 -2.392 5.412 -7.157 1.00 0.00 C ATOM 888 C ASP A 75 -3.887 5.087 -7.151 1.00 0.00 C ATOM 889 O ASP A 75 -4.649 5.650 -6.365 1.00 0.00 O ATOM 890 CB ASP A 75 -2.193 6.925 -7.305 1.00 0.00 C ATOM 891 CG ASP A 75 -2.516 7.419 -8.701 1.00 0.00 C ATOM 892 OD1 ASP A 75 -3.688 7.775 -8.950 1.00 0.00 O ATOM 893 OD2 ASP A 75 -1.598 7.451 -9.547 1.00 0.00 O ATOM 0 H ASP A 75 -1.571 5.293 -9.075 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.968 5.072 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.825 7.444 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.161 7.178 -7.063 1.00 0.00 H new ATOM 898 N LYS A 76 -4.298 4.185 -8.038 1.00 0.00 N ATOM 899 CA LYS A 76 -5.693 3.771 -8.142 1.00 0.00 C ATOM 900 C LYS A 76 -5.757 2.275 -8.421 1.00 0.00 C ATOM 901 O LYS A 76 -6.499 1.820 -9.291 1.00 0.00 O ATOM 902 CB LYS A 76 -6.384 4.546 -9.264 1.00 0.00 C ATOM 903 CG LYS A 76 -6.513 6.035 -8.985 1.00 0.00 C ATOM 904 CD LYS A 76 -7.172 6.762 -10.146 1.00 0.00 C ATOM 905 CE LYS A 76 -7.285 8.254 -9.875 1.00 0.00 C ATOM 906 NZ LYS A 76 -7.920 8.978 -11.011 1.00 0.00 N ATOM 0 H LYS A 76 -3.676 3.723 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.206 3.983 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.825 4.405 -10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.378 4.128 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.099 6.187 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.526 6.459 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.593 6.599 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.164 6.346 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.870 8.415 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.293 8.666 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.979 9.992 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.349 8.846 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.877 8.603 -11.170 1.00 0.00 H new ATOM 920 N MET A 77 -4.967 1.519 -7.668 1.00 0.00 N ATOM 921 CA MET A 77 -4.877 0.076 -7.847 1.00 0.00 C ATOM 922 C MET A 77 -5.870 -0.730 -7.005 1.00 0.00 C ATOM 923 O MET A 77 -6.307 -1.797 -7.436 1.00 0.00 O ATOM 924 CB MET A 77 -3.461 -0.385 -7.522 1.00 0.00 C ATOM 925 CG MET A 77 -2.415 0.178 -8.469 1.00 0.00 C ATOM 926 SD MET A 77 -2.721 -0.278 -10.187 1.00 0.00 S ATOM 927 CE MET A 77 -2.648 -2.065 -10.083 1.00 0.00 C ATOM 0 H MET A 77 -4.375 1.886 -6.922 1.00 0.00 H new ATOM 0 HA MET A 77 -5.134 -0.114 -8.889 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.215 -0.089 -6.502 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.424 -1.474 -7.556 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.398 1.264 -8.382 1.00 0.00 H new ATOM 0 HG3 MET A 77 -1.430 -0.181 -8.171 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.925 -2.442 -10.807 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.343 -2.359 -9.079 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.631 -2.483 -10.301 1.00 0.00 H new ATOM 937 N LYS A 78 -6.289 -0.219 -5.848 1.00 0.00 N ATOM 938 CA LYS A 78 -7.180 -1.004 -4.995 1.00 0.00 C ATOM 939 C LYS A 78 -8.442 -1.399 -5.745 1.00 0.00 C ATOM 940 O LYS A 78 -8.629 -2.569 -6.078 1.00 0.00 O ATOM 941 CB LYS A 78 -7.546 -0.258 -3.716 1.00 0.00 C ATOM 942 CG LYS A 78 -8.474 -1.038 -2.797 1.00 0.00 C ATOM 943 CD LYS A 78 -9.938 -0.781 -3.115 1.00 0.00 C ATOM 944 CE LYS A 78 -10.648 -2.044 -3.581 1.00 0.00 C ATOM 945 NZ LYS A 78 -12.035 -1.765 -4.046 1.00 0.00 N ATOM 0 H LYS A 78 -6.037 0.702 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.637 -1.907 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.632 -0.015 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.021 0.687 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.264 -2.104 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.274 -0.763 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.438 -0.389 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.013 -0.016 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.079 -2.502 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.678 -2.766 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.379 -2.567 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.656 -1.630 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.039 -0.903 -4.628 1.00 0.00 H new ATOM 959 N PHE A 79 -9.304 -0.435 -6.016 1.00 0.00 N ATOM 960 CA PHE A 79 -10.528 -0.710 -6.750 1.00 0.00 C ATOM 961 C PHE A 79 -10.243 -1.153 -8.189 1.00 0.00 C ATOM 962 O PHE A 79 -11.154 -1.586 -8.893 1.00 0.00 O ATOM 963 CB PHE A 79 -11.418 0.532 -6.785 1.00 0.00 C ATOM 964 CG PHE A 79 -12.771 0.284 -7.389 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.836 -0.116 -6.598 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.977 0.453 -8.749 1.00 0.00 C ATOM 967 CE1 PHE A 79 -15.081 -0.347 -7.153 1.00 0.00 C ATOM 968 CE2 PHE A 79 -14.220 0.224 -9.308 1.00 0.00 C ATOM 969 CZ PHE A 79 -15.273 -0.175 -8.509 1.00 0.00 C ATOM 0 H PHE A 79 -9.181 0.540 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 79 -11.036 -1.522 -6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.546 0.906 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.914 1.314 -7.352 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.692 -0.249 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.158 0.767 -9.379 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.902 -0.662 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -14.368 0.357 -10.370 1.00 0.00 H new ATOM 0 HZ PHE A 79 -16.245 -0.352 -8.944 1.00 0.00 H new ATOM 979 N GLU A 80 -8.988 -1.041 -8.634 1.00 0.00 N ATOM 980 CA GLU A 80 -8.642 -1.407 -10.007 1.00 0.00 C ATOM 981 C GLU A 80 -8.223 -2.869 -10.128 1.00 0.00 C ATOM 982 O GLU A 80 -8.519 -3.524 -11.128 1.00 0.00 O ATOM 983 CB GLU A 80 -7.523 -0.503 -10.526 1.00 0.00 C ATOM 984 CG GLU A 80 -7.119 -0.795 -11.963 1.00 0.00 C ATOM 985 CD GLU A 80 -8.266 -0.614 -12.940 1.00 0.00 C ATOM 986 OE1 GLU A 80 -8.433 0.510 -13.457 1.00 0.00 O ATOM 987 OE2 GLU A 80 -8.995 -1.597 -13.189 1.00 0.00 O ATOM 0 H GLU A 80 -8.206 -0.705 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.538 -1.271 -10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.843 0.536 -10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.650 -0.614 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.298 -0.137 -12.247 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.746 -1.817 -12.031 1.00 0.00 H new ATOM 994 N GLU A 81 -7.538 -3.378 -9.113 1.00 0.00 N ATOM 995 CA GLU A 81 -7.067 -4.751 -9.130 1.00 0.00 C ATOM 996 C GLU A 81 -8.099 -5.643 -8.482 1.00 0.00 C ATOM 997 O GLU A 81 -8.541 -6.636 -9.056 1.00 0.00 O ATOM 998 CB GLU A 81 -5.727 -4.870 -8.402 1.00 0.00 C ATOM 999 CG GLU A 81 -5.046 -6.216 -8.596 1.00 0.00 C ATOM 1000 CD GLU A 81 -3.728 -6.314 -7.854 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -2.687 -5.958 -8.444 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -3.738 -6.747 -6.682 1.00 0.00 O ATOM 0 H GLU A 81 -7.297 -2.859 -8.269 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.918 -5.064 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.061 -4.081 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.886 -4.703 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.711 -7.009 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.873 -6.382 -9.659 1.00 0.00 H new ATOM 1009 N LEU A 82 -8.473 -5.260 -7.264 1.00 0.00 N ATOM 1010 CA LEU A 82 -9.462 -5.982 -6.485 1.00 0.00 C ATOM 1011 C LEU A 82 -8.897 -7.294 -5.948 1.00 0.00 C ATOM 1012 O LEU A 82 -9.506 -7.934 -5.091 1.00 0.00 O ATOM 1013 CB LEU A 82 -10.719 -6.243 -7.312 1.00 0.00 C ATOM 1014 CG LEU A 82 -11.445 -4.999 -7.832 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -11.667 -3.999 -6.706 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -10.668 -4.363 -8.970 1.00 0.00 C ATOM 0 H LEU A 82 -8.095 -4.438 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.730 -5.357 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.447 -6.865 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.417 -6.821 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.419 -5.305 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.184 -3.122 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.271 -4.459 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.705 -3.699 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.200 -3.481 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.679 -4.072 -8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.566 -5.079 -9.786 1.00 0.00 H new ATOM 1028 N LYS A 83 -7.733 -7.692 -6.452 1.00 0.00 N ATOM 1029 CA LYS A 83 -7.089 -8.915 -6.009 1.00 0.00 C ATOM 1030 C LYS A 83 -5.984 -8.576 -5.016 1.00 0.00 C ATOM 1031 O LYS A 83 -4.852 -9.031 -5.148 1.00 0.00 O ATOM 1032 CB LYS A 83 -6.503 -9.678 -7.201 1.00 0.00 C ATOM 1033 CG LYS A 83 -7.355 -9.632 -8.462 1.00 0.00 C ATOM 1034 CD LYS A 83 -8.561 -10.551 -8.366 1.00 0.00 C ATOM 1035 CE LYS A 83 -9.698 -9.895 -7.605 1.00 0.00 C ATOM 1036 NZ LYS A 83 -10.825 -10.837 -7.365 1.00 0.00 N ATOM 0 H LYS A 83 -7.219 -7.181 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.832 -9.549 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.518 -9.270 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.358 -10.719 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.691 -8.610 -8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.748 -9.919 -9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.898 -10.818 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.275 -11.478 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.328 -9.522 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.059 -9.033 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.580 -10.349 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.196 -11.174 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.487 -11.648 -6.808 1.00 0.00 H new ATOM 1050 N ILE A 84 -6.326 -7.750 -4.034 1.00 0.00 N ATOM 1051 CA ILE A 84 -5.375 -7.326 -3.016 1.00 0.00 C ATOM 1052 C ILE A 84 -5.603 -8.012 -1.660 1.00 0.00 C ATOM 1053 O ILE A 84 -4.650 -8.190 -0.901 1.00 0.00 O ATOM 1054 CB ILE A 84 -5.395 -5.794 -2.829 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -6.746 -5.325 -2.285 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.083 -5.100 -4.146 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -6.787 -3.848 -1.957 1.00 0.00 C ATOM 0 H ILE A 84 -7.261 -7.359 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.395 -7.633 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.628 -5.529 -2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.521 -5.547 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.984 -5.895 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.100 -4.020 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.095 -5.404 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.830 -5.378 -4.890 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.775 -3.587 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.036 -3.622 -1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.580 -3.269 -2.857 1.00 0.00 H new ATOM 1069 N PRO A 85 -6.851 -8.399 -1.307 1.00 0.00 N ATOM 1070 CA PRO A 85 -7.113 -9.072 -0.033 1.00 0.00 C ATOM 1071 C PRO A 85 -6.433 -10.434 0.035 1.00 0.00 C ATOM 1072 O PRO A 85 -5.475 -10.699 -0.691 1.00 0.00 O ATOM 1073 CB PRO A 85 -8.638 -9.239 0.002 1.00 0.00 C ATOM 1074 CG PRO A 85 -9.163 -8.317 -1.043 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.088 -8.213 -2.084 1.00 0.00 C ATOM 0 HA PRO A 85 -6.725 -8.501 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.925 -10.270 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.038 -8.987 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.087 -8.702 -1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.392 -7.339 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.198 -8.976 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.106 -7.246 -2.587 1.00 0.00 H new ATOM 1083 N LYS A 86 -6.935 -11.295 0.911 1.00 0.00 N ATOM 1084 CA LYS A 86 -6.386 -12.634 1.074 1.00 0.00 C ATOM 1085 C LYS A 86 -4.886 -12.595 1.387 1.00 0.00 C ATOM 1086 O LYS A 86 -4.493 -12.250 2.501 1.00 0.00 O ATOM 1087 CB LYS A 86 -6.661 -13.479 -0.176 1.00 0.00 C ATOM 1088 CG LYS A 86 -8.132 -13.796 -0.390 1.00 0.00 C ATOM 1089 CD LYS A 86 -8.335 -14.679 -1.611 1.00 0.00 C ATOM 1090 CE LYS A 86 -9.795 -15.067 -1.784 1.00 0.00 C ATOM 1091 NZ LYS A 86 -10.671 -13.876 -1.958 1.00 0.00 N ATOM 0 H LYS A 86 -7.725 -11.088 1.522 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.884 -13.098 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.282 -12.951 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.105 -14.413 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.531 -14.295 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.692 -12.869 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.989 -14.154 -2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.728 -15.579 -1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.896 -15.721 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.125 -15.636 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.619 -14.183 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.741 -13.362 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.266 -13.250 -2.683 1.00 0.00 H new ATOM 1105 N ASP A 87 -4.047 -12.947 0.408 1.00 0.00 N ATOM 1106 CA ASP A 87 -2.603 -12.966 0.616 1.00 0.00 C ATOM 1107 C ASP A 87 -1.866 -11.928 -0.232 1.00 0.00 C ATOM 1108 O ASP A 87 -0.652 -11.772 -0.095 1.00 0.00 O ATOM 1109 CB ASP A 87 -2.052 -14.360 0.315 1.00 0.00 C ATOM 1110 CG ASP A 87 -2.649 -15.425 1.213 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -2.082 -15.672 2.298 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -3.684 -16.011 0.833 1.00 0.00 O ATOM 0 H ASP A 87 -4.344 -13.220 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.431 -12.709 1.661 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.256 -14.611 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.969 -14.353 0.435 1.00 0.00 H new ATOM 1117 N TYR A 88 -2.576 -11.217 -1.107 1.00 0.00 N ATOM 1118 CA TYR A 88 -1.925 -10.226 -1.955 1.00 0.00 C ATOM 1119 C TYR A 88 -1.354 -9.084 -1.118 1.00 0.00 C ATOM 1120 O TYR A 88 -2.018 -8.555 -0.219 1.00 0.00 O ATOM 1121 CB TYR A 88 -2.898 -9.707 -3.010 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.405 -10.792 -3.931 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -2.637 -11.240 -4.999 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -4.652 -11.371 -3.733 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -3.097 -12.232 -5.843 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -5.119 -12.364 -4.571 1.00 0.00 C ATOM 1127 CZ TYR A 88 -4.339 -12.791 -5.624 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.801 -13.779 -6.462 1.00 0.00 O ATOM 0 H TYR A 88 -3.583 -11.307 -1.245 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.092 -10.705 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.745 -9.234 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.405 -8.936 -3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.664 -10.805 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.267 -11.039 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.488 -12.568 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.091 -12.804 -4.402 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.691 -14.066 -6.170 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.115 -8.707 -1.422 1.00 0.00 N ATOM 1139 CA VAL A 89 0.565 -7.654 -0.679 1.00 0.00 C ATOM 1140 C VAL A 89 1.369 -6.732 -1.588 1.00 0.00 C ATOM 1141 O VAL A 89 2.070 -7.186 -2.493 1.00 0.00 O ATOM 1142 CB VAL A 89 1.516 -8.270 0.371 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.501 -9.214 -0.302 1.00 0.00 C ATOM 1144 CG2 VAL A 89 2.258 -7.195 1.158 1.00 0.00 C ATOM 0 H VAL A 89 0.437 -9.115 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.210 -7.063 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 89 0.910 -8.835 1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.166 -9.642 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.955 -10.014 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.089 -8.663 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.917 -7.667 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.850 -6.587 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.538 -6.562 1.677 1.00 0.00 H new ATOM 1154 N VAL A 90 1.259 -5.432 -1.334 1.00 0.00 N ATOM 1155 CA VAL A 90 2.001 -4.438 -2.095 1.00 0.00 C ATOM 1156 C VAL A 90 3.288 -4.109 -1.365 1.00 0.00 C ATOM 1157 O VAL A 90 3.265 -3.541 -0.272 1.00 0.00 O ATOM 1158 CB VAL A 90 1.192 -3.146 -2.313 1.00 0.00 C ATOM 1159 CG1 VAL A 90 1.916 -2.225 -3.285 1.00 0.00 C ATOM 1160 CG2 VAL A 90 -0.206 -3.481 -2.803 1.00 0.00 C ATOM 0 H VAL A 90 0.661 -5.043 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 90 2.213 -4.862 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 90 1.099 -2.619 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.332 -1.316 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.895 -1.967 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.040 -2.732 -4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.769 -2.560 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.141 -4.025 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.713 -4.099 -2.062 1.00 0.00 H new ATOM 1170 N GLN A 91 4.412 -4.464 -1.968 1.00 0.00 N ATOM 1171 CA GLN A 91 5.694 -4.228 -1.343 1.00 0.00 C ATOM 1172 C GLN A 91 6.164 -2.804 -1.572 1.00 0.00 C ATOM 1173 O GLN A 91 6.237 -2.336 -2.705 1.00 0.00 O ATOM 1174 CB GLN A 91 6.737 -5.216 -1.863 1.00 0.00 C ATOM 1175 CG GLN A 91 8.081 -5.085 -1.175 1.00 0.00 C ATOM 1176 CD GLN A 91 9.048 -4.197 -1.934 1.00 0.00 C ATOM 1177 OE1 GLN A 91 8.641 -3.266 -2.626 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.339 -4.483 -1.805 1.00 0.00 N ATOM 0 H GLN A 91 4.458 -4.913 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 91 5.571 -4.378 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.365 -6.232 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.869 -5.065 -2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.933 -4.680 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.521 -6.075 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.632 -5.265 -1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.037 -3.920 -2.291 1.00 0.00 H new ATOM 1187 N VAL A 92 6.465 -2.113 -0.484 1.00 0.00 N ATOM 1188 CA VAL A 92 6.944 -0.749 -0.567 1.00 0.00 C ATOM 1189 C VAL A 92 8.430 -0.698 -0.230 1.00 0.00 C ATOM 1190 O VAL A 92 8.974 -1.645 0.336 1.00 0.00 O ATOM 1191 CB VAL A 92 6.169 0.178 0.387 1.00 0.00 C ATOM 1192 CG1 VAL A 92 4.665 0.015 0.199 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.553 -0.096 1.824 1.00 0.00 C ATOM 0 H VAL A 92 6.385 -2.477 0.465 1.00 0.00 H new ATOM 0 HA VAL A 92 6.784 -0.401 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 92 6.434 1.208 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.139 0.680 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.397 0.265 -0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.382 -1.017 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.995 0.569 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.320 -1.132 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.621 0.077 1.954 1.00 0.00 H new ATOM 1203 N ILE A 93 9.088 0.402 -0.574 1.00 0.00 N ATOM 1204 CA ILE A 93 10.506 0.537 -0.285 1.00 0.00 C ATOM 1205 C ILE A 93 10.866 1.954 0.141 1.00 0.00 C ATOM 1206 O ILE A 93 10.518 2.932 -0.525 1.00 0.00 O ATOM 1207 CB ILE A 93 11.381 0.119 -1.482 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.098 0.997 -2.699 1.00 0.00 C ATOM 1209 CG2 ILE A 93 11.150 -1.346 -1.818 1.00 0.00 C ATOM 1210 CD1 ILE A 93 12.024 0.714 -3.860 1.00 0.00 C ATOM 0 H ILE A 93 8.668 1.202 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 93 10.710 -0.139 0.546 1.00 0.00 H new ATOM 0 HB ILE A 93 12.426 0.254 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.067 0.844 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.192 2.045 -2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.775 -1.628 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.408 -1.962 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.101 -1.500 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.773 1.369 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.055 0.894 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.913 -0.325 -4.169 1.00 0.00 H new ATOM 1222 N VAL A 94 11.545 2.042 1.279 1.00 0.00 N ATOM 1223 CA VAL A 94 11.997 3.316 1.834 1.00 0.00 C ATOM 1224 C VAL A 94 13.490 3.263 2.152 1.00 0.00 C ATOM 1225 O VAL A 94 13.895 2.757 3.199 1.00 0.00 O ATOM 1226 CB VAL A 94 11.214 3.701 3.117 1.00 0.00 C ATOM 1227 CG1 VAL A 94 11.019 2.485 4.010 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.933 4.808 3.879 1.00 0.00 C ATOM 0 H VAL A 94 11.799 1.232 1.845 1.00 0.00 H new ATOM 0 HA VAL A 94 11.808 4.077 1.077 1.00 0.00 H new ATOM 0 HB VAL A 94 10.234 4.072 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.468 2.775 4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.458 1.723 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.991 2.085 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.365 5.061 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.928 4.466 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 94 12.021 5.689 3.244 1.00 0.00 H new