USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 42 GLN : amide:sc= -2.9! K(o=-3.3!,f=-5) USER MOD Set 1.2: A 98 THR OG1 : rot -70:sc= -0.404! USER MOD Single : A 8 THR OG1 : rot 37:sc= 0.676 USER MOD Single : A 9 MET CE :methyl 165:sc= -0.118 (180deg=-0.433) USER MOD Single : A 14 SER OG : rot -153:sc= 0.76 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -7.99! C(o=-8!,f=-11!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00458 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0144 X(o=-0.014,f=-0.092) USER MOD Single : A 34 LYS NZ :NH3+ -129:sc= 0.384 (180deg=-0.0288) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.12) USER MOD Single : A 40 GLN : amide:sc= -4.26! C(o=-4.3!,f=-5.6!) USER MOD Single : A 46 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-7.9!) USER MOD Single : A 47 ASN : amide:sc= -3.82! C(o=-3.8!,f=-4.3!) USER MOD Single : A 48 GLN : amide:sc= -3.98! C(o=-4!,f=-10!) USER MOD Single : A 49 THR OG1 : rot 107:sc= 1.02 USER MOD Single : A 51 SER OG : rot -177:sc= -0.77 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0984 USER MOD Single : A 53 ASN : amide:sc= 0.117 K(o=0.12,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= -0.76 K(o=-0.76,f=-2.6!) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0.241 (180deg=0.241) USER MOD Single : A 61 SER OG : rot 180:sc= -0.452 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -150:sc= -4.2! (180deg=-6.43!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -132:sc= -0.273 USER MOD Single : A 82 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.54) USER MOD Single : A 85 HIS : no HD1:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 87 SER OG : rot -85:sc= -0.534 USER MOD Single : A 88 MET CE :methyl -132:sc= -3.05! (180deg=-7.37!) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N THR A 8 -9.297 8.412 8.786 1.00 0.00 N ATOM 67 CA THR A 8 -9.158 7.026 9.199 1.00 0.00 C ATOM 68 C THR A 8 -7.790 6.480 8.784 1.00 0.00 C ATOM 69 O THR A 8 -7.401 6.590 7.622 1.00 0.00 O ATOM 70 CB THR A 8 -10.330 6.237 8.613 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.463 7.067 8.856 1.00 0.00 O ATOM 72 CG2 THR A 8 -10.629 4.960 9.400 1.00 0.00 C ATOM 0 HA THR A 8 -9.195 6.932 10.284 1.00 0.00 H new ATOM 0 HB THR A 8 -10.112 5.981 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.210 8.007 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.469 4.438 8.942 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.752 4.313 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.879 5.217 10.429 1.00 0.00 H new ATOM 80 N MET A 9 -7.098 5.904 9.756 1.00 0.00 N ATOM 81 CA MET A 9 -5.782 5.341 9.506 1.00 0.00 C ATOM 82 C MET A 9 -5.815 3.814 9.586 1.00 0.00 C ATOM 83 O MET A 9 -6.379 3.249 10.522 1.00 0.00 O ATOM 84 CB MET A 9 -4.790 5.885 10.536 1.00 0.00 C ATOM 85 CG MET A 9 -3.414 5.237 10.367 1.00 0.00 C ATOM 86 SD MET A 9 -2.773 4.741 11.957 1.00 0.00 S ATOM 87 CE MET A 9 -3.530 3.131 12.107 1.00 0.00 C ATOM 0 H MET A 9 -7.424 5.815 10.718 1.00 0.00 H new ATOM 0 HA MET A 9 -5.470 5.627 8.502 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.703 6.966 10.427 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.164 5.695 11.542 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.489 4.371 9.710 1.00 0.00 H new ATOM 0 HG3 MET A 9 -2.728 5.939 9.892 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.038 2.570 12.901 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.587 3.247 12.346 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.428 2.592 11.165 1.00 0.00 H new ATOM 97 N LEU A 10 -5.203 3.188 8.591 1.00 0.00 N ATOM 98 CA LEU A 10 -5.156 1.737 8.537 1.00 0.00 C ATOM 99 C LEU A 10 -3.716 1.269 8.761 1.00 0.00 C ATOM 100 O LEU A 10 -2.779 2.059 8.651 1.00 0.00 O ATOM 101 CB LEU A 10 -5.771 1.229 7.231 1.00 0.00 C ATOM 102 CG LEU A 10 -7.298 1.276 7.146 1.00 0.00 C ATOM 103 CD1 LEU A 10 -7.784 0.833 5.765 1.00 0.00 C ATOM 104 CD2 LEU A 10 -7.935 0.455 8.269 1.00 0.00 C ATOM 0 H LEU A 10 -4.736 3.659 7.816 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.760 1.306 9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.363 1.816 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.450 0.199 7.078 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.616 2.309 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.873 0.876 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.371 1.496 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.455 -0.188 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.021 0.505 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.612 -0.583 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.626 0.857 9.234 1.00 0.00 H new ATOM 116 N ARG A 11 -3.585 -0.012 9.071 1.00 0.00 N ATOM 117 CA ARG A 11 -2.275 -0.594 9.311 1.00 0.00 C ATOM 118 C ARG A 11 -1.880 -1.510 8.151 1.00 0.00 C ATOM 119 O ARG A 11 -2.440 -2.594 7.993 1.00 0.00 O ATOM 120 CB ARG A 11 -2.260 -1.397 10.613 1.00 0.00 C ATOM 121 CG ARG A 11 -1.427 -0.689 11.684 1.00 0.00 C ATOM 122 CD ARG A 11 -1.256 -1.574 12.920 1.00 0.00 C ATOM 123 NE ARG A 11 -0.847 -0.750 14.080 1.00 0.00 N ATOM 124 CZ ARG A 11 -0.943 -1.149 15.355 1.00 0.00 C ATOM 125 NH1 ARG A 11 -1.435 -2.362 15.643 1.00 0.00 N ATOM 126 NH2 ARG A 11 -0.548 -0.335 16.343 1.00 0.00 N ATOM 0 H ARG A 11 -4.364 -0.664 9.162 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.559 0.224 9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.280 -1.534 10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.852 -2.390 10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.449 -0.432 11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.910 0.246 11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.191 -2.089 13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.507 -2.342 12.727 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.469 0.179 13.897 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.737 -2.982 14.891 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.508 -2.665 16.614 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.174 0.588 16.124 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.621 -0.639 17.314 1.00 0.00 H new ATOM 140 N VAL A 12 -0.919 -1.041 7.369 1.00 0.00 N ATOM 141 CA VAL A 12 -0.443 -1.804 6.228 1.00 0.00 C ATOM 142 C VAL A 12 0.896 -2.456 6.579 1.00 0.00 C ATOM 143 O VAL A 12 1.897 -1.765 6.766 1.00 0.00 O ATOM 144 CB VAL A 12 -0.364 -0.904 4.993 1.00 0.00 C ATOM 145 CG1 VAL A 12 0.422 -1.583 3.869 1.00 0.00 C ATOM 146 CG2 VAL A 12 -1.762 -0.502 4.518 1.00 0.00 C ATOM 0 H VAL A 12 -0.457 -0.142 7.503 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.141 -2.605 5.986 1.00 0.00 H new ATOM 0 HB VAL A 12 0.169 0.004 5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.463 -0.922 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.435 -1.797 4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.071 -2.514 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.678 0.137 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.331 -1.396 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.275 0.040 5.313 1.00 0.00 H new ATOM 156 N ARG A 13 0.872 -3.778 6.657 1.00 0.00 N ATOM 157 CA ARG A 13 2.071 -4.531 6.983 1.00 0.00 C ATOM 158 C ARG A 13 2.852 -4.861 5.709 1.00 0.00 C ATOM 159 O ARG A 13 2.310 -5.458 4.781 1.00 0.00 O ATOM 160 CB ARG A 13 1.725 -5.830 7.712 1.00 0.00 C ATOM 161 CG ARG A 13 2.991 -6.614 8.066 1.00 0.00 C ATOM 162 CD ARG A 13 3.337 -6.455 9.548 1.00 0.00 C ATOM 163 NE ARG A 13 3.282 -7.770 10.225 1.00 0.00 N ATOM 164 CZ ARG A 13 4.293 -8.649 10.241 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.443 -8.359 9.618 1.00 0.00 N ATOM 166 NH2 ARG A 13 4.154 -9.819 10.880 1.00 0.00 N ATOM 0 H ARG A 13 0.041 -4.348 6.500 1.00 0.00 H new ATOM 0 HA ARG A 13 2.683 -3.912 7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.167 -5.604 8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.077 -6.442 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.847 -7.669 7.834 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.823 -6.264 7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.333 -6.024 9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.639 -5.764 10.021 1.00 0.00 H new ATOM 0 HE ARG A 13 2.421 -8.023 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.549 -7.469 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.213 -9.028 9.630 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.278 -10.040 11.354 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.924 -10.488 10.892 1.00 0.00 H new ATOM 180 N SER A 14 4.114 -4.457 5.706 1.00 0.00 N ATOM 181 CA SER A 14 4.976 -4.702 4.561 1.00 0.00 C ATOM 182 C SER A 14 6.303 -5.307 5.025 1.00 0.00 C ATOM 183 O SER A 14 6.627 -5.264 6.211 1.00 0.00 O ATOM 184 CB SER A 14 5.225 -3.415 3.774 1.00 0.00 C ATOM 185 OG SER A 14 5.799 -2.394 4.586 1.00 0.00 O ATOM 0 H SER A 14 4.561 -3.962 6.478 1.00 0.00 H new ATOM 0 HA SER A 14 4.474 -5.408 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.888 -3.626 2.935 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.284 -3.059 3.355 1.00 0.00 H new ATOM 0 HG SER A 14 5.558 -1.515 4.225 1.00 0.00 H new ATOM 191 N ARG A 15 7.034 -5.855 4.066 1.00 0.00 N ATOM 192 CA ARG A 15 8.318 -6.467 4.361 1.00 0.00 C ATOM 193 C ARG A 15 9.100 -5.606 5.355 1.00 0.00 C ATOM 194 O ARG A 15 9.468 -6.075 6.432 1.00 0.00 O ATOM 195 CB ARG A 15 9.149 -6.645 3.089 1.00 0.00 C ATOM 196 CG ARG A 15 8.451 -7.589 2.107 1.00 0.00 C ATOM 197 CD ARG A 15 9.472 -8.343 1.252 1.00 0.00 C ATOM 198 NE ARG A 15 10.160 -9.366 2.070 1.00 0.00 N ATOM 199 CZ ARG A 15 9.611 -10.535 2.428 1.00 0.00 C ATOM 200 NH1 ARG A 15 8.364 -10.835 2.043 1.00 0.00 N ATOM 201 NH2 ARG A 15 10.310 -11.403 3.172 1.00 0.00 N ATOM 0 H ARG A 15 6.761 -5.888 3.084 1.00 0.00 H new ATOM 0 HA ARG A 15 8.125 -7.448 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.309 -5.676 2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.132 -7.042 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.835 -8.301 2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.782 -7.019 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.972 -8.817 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.200 -7.644 0.840 1.00 0.00 H new ATOM 0 HE ARG A 15 11.111 -9.169 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.832 -10.174 1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.946 -11.725 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.260 -11.174 3.466 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.892 -12.293 3.445 1.00 0.00 H new ATOM 215 N ASP A 16 9.330 -4.363 4.960 1.00 0.00 N ATOM 216 CA ASP A 16 10.062 -3.433 5.803 1.00 0.00 C ATOM 217 C ASP A 16 9.612 -3.605 7.255 1.00 0.00 C ATOM 218 O ASP A 16 10.441 -3.689 8.160 1.00 0.00 O ATOM 219 CB ASP A 16 9.788 -1.985 5.393 1.00 0.00 C ATOM 220 CG ASP A 16 10.539 -1.513 4.145 1.00 0.00 C ATOM 221 OD1 ASP A 16 11.736 -1.856 4.040 1.00 0.00 O ATOM 222 OD2 ASP A 16 9.898 -0.821 3.325 1.00 0.00 O ATOM 0 H ASP A 16 9.022 -3.978 4.067 1.00 0.00 H new ATOM 0 HA ASP A 16 11.126 -3.644 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.718 -1.868 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.050 -1.332 6.225 1.00 0.00 H new ATOM 227 N GLY A 17 8.300 -3.654 7.433 1.00 0.00 N ATOM 228 CA GLY A 17 7.730 -3.815 8.760 1.00 0.00 C ATOM 229 C GLY A 17 6.219 -3.576 8.740 1.00 0.00 C ATOM 230 O GLY A 17 5.472 -4.346 8.137 1.00 0.00 O ATOM 0 H GLY A 17 7.615 -3.585 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.938 -4.819 9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.203 -3.117 9.450 1.00 0.00 H new ATOM 234 N LEU A 18 5.812 -2.506 9.407 1.00 0.00 N ATOM 235 CA LEU A 18 4.404 -2.155 9.474 1.00 0.00 C ATOM 236 C LEU A 18 4.237 -0.669 9.154 1.00 0.00 C ATOM 237 O LEU A 18 4.572 0.187 9.972 1.00 0.00 O ATOM 238 CB LEU A 18 3.814 -2.564 10.825 1.00 0.00 C ATOM 239 CG LEU A 18 2.448 -1.966 11.169 1.00 0.00 C ATOM 240 CD1 LEU A 18 1.321 -2.743 10.486 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.251 -1.883 12.684 1.00 0.00 C ATOM 0 H LEU A 18 6.434 -1.870 9.906 1.00 0.00 H new ATOM 0 HA LEU A 18 3.837 -2.708 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.729 -3.650 10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.519 -2.283 11.607 1.00 0.00 H new ATOM 0 HG LEU A 18 2.415 -0.947 10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.361 -2.297 10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.456 -2.705 9.405 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.341 -3.781 10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.272 -1.455 12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.313 -2.883 13.114 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.027 -1.253 13.118 1.00 0.00 H new ATOM 253 N GLU A 19 3.719 -0.407 7.963 1.00 0.00 N ATOM 254 CA GLU A 19 3.504 0.962 7.525 1.00 0.00 C ATOM 255 C GLU A 19 2.031 1.346 7.687 1.00 0.00 C ATOM 256 O GLU A 19 1.159 0.478 7.714 1.00 0.00 O ATOM 257 CB GLU A 19 3.965 1.154 6.079 1.00 0.00 C ATOM 258 CG GLU A 19 5.489 1.076 5.975 1.00 0.00 C ATOM 259 CD GLU A 19 5.926 0.784 4.538 1.00 0.00 C ATOM 260 OE1 GLU A 19 5.138 0.122 3.829 1.00 0.00 O ATOM 261 OE2 GLU A 19 7.038 1.229 4.181 1.00 0.00 O ATOM 0 H GLU A 19 3.442 -1.119 7.288 1.00 0.00 H new ATOM 0 HA GLU A 19 4.103 1.622 8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.514 0.390 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.621 2.120 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.928 2.016 6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.863 0.296 6.638 1.00 0.00 H new ATOM 268 N ARG A 20 1.799 2.646 7.791 1.00 0.00 N ATOM 269 CA ARG A 20 0.448 3.155 7.949 1.00 0.00 C ATOM 270 C ARG A 20 0.124 4.155 6.837 1.00 0.00 C ATOM 271 O ARG A 20 1.025 4.765 6.264 1.00 0.00 O ATOM 272 CB ARG A 20 0.271 3.837 9.307 1.00 0.00 C ATOM 273 CG ARG A 20 1.313 4.940 9.506 1.00 0.00 C ATOM 274 CD ARG A 20 0.799 6.012 10.469 1.00 0.00 C ATOM 275 NE ARG A 20 0.291 7.175 9.707 1.00 0.00 N ATOM 276 CZ ARG A 20 1.061 8.179 9.267 1.00 0.00 C ATOM 277 NH1 ARG A 20 2.379 8.168 9.509 1.00 0.00 N ATOM 278 NH2 ARG A 20 0.514 9.193 8.583 1.00 0.00 N ATOM 0 H ARG A 20 2.525 3.362 7.769 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.235 2.307 7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.731 4.261 9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.361 3.098 10.104 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.235 4.508 9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.555 5.395 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.006 5.601 11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.600 6.327 11.137 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.708 7.214 9.504 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.796 7.395 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.965 8.932 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.489 9.201 8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.101 9.957 8.248 1.00 0.00 H new ATOM 292 N VAL A 21 -1.166 4.294 6.567 1.00 0.00 N ATOM 293 CA VAL A 21 -1.620 5.210 5.535 1.00 0.00 C ATOM 294 C VAL A 21 -2.985 5.779 5.929 1.00 0.00 C ATOM 295 O VAL A 21 -3.734 5.147 6.671 1.00 0.00 O ATOM 296 CB VAL A 21 -1.637 4.503 4.178 1.00 0.00 C ATOM 297 CG1 VAL A 21 -2.364 5.346 3.129 1.00 0.00 C ATOM 298 CG2 VAL A 21 -0.217 4.162 3.720 1.00 0.00 C ATOM 0 H VAL A 21 -1.911 3.787 7.045 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.932 6.050 5.441 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.185 3.568 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.361 4.820 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.393 5.515 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.857 6.304 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.257 3.660 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.366 5.079 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.253 3.504 4.451 1.00 0.00 H new ATOM 308 N SER A 22 -3.266 6.967 5.413 1.00 0.00 N ATOM 309 CA SER A 22 -4.526 7.629 5.702 1.00 0.00 C ATOM 310 C SER A 22 -5.502 7.425 4.541 1.00 0.00 C ATOM 311 O SER A 22 -5.134 7.592 3.379 1.00 0.00 O ATOM 312 CB SER A 22 -4.318 9.122 5.964 1.00 0.00 C ATOM 313 OG SER A 22 -5.438 9.711 6.617 1.00 0.00 O ATOM 0 H SER A 22 -2.642 7.488 4.797 1.00 0.00 H new ATOM 0 HA SER A 22 -4.946 7.185 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.427 9.262 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.139 9.634 5.019 1.00 0.00 H new ATOM 0 HG SER A 22 -5.265 10.664 6.768 1.00 0.00 H new ATOM 319 N VAL A 23 -6.728 7.068 4.895 1.00 0.00 N ATOM 320 CA VAL A 23 -7.759 6.839 3.898 1.00 0.00 C ATOM 321 C VAL A 23 -8.959 7.740 4.196 1.00 0.00 C ATOM 322 O VAL A 23 -8.853 8.684 4.977 1.00 0.00 O ATOM 323 CB VAL A 23 -8.122 5.354 3.851 1.00 0.00 C ATOM 324 CG1 VAL A 23 -6.869 4.486 3.721 1.00 0.00 C ATOM 325 CG2 VAL A 23 -8.942 4.951 5.079 1.00 0.00 C ATOM 0 H VAL A 23 -7.030 6.932 5.860 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.395 7.101 2.905 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.737 5.188 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.156 3.435 3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.340 4.745 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.216 4.659 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.187 3.890 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.362 5.140 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.862 5.535 5.110 1.00 0.00 H new ATOM 335 N ASP A 24 -10.075 7.415 3.559 1.00 0.00 N ATOM 336 CA ASP A 24 -11.294 8.183 3.746 1.00 0.00 C ATOM 337 C ASP A 24 -12.255 7.395 4.639 1.00 0.00 C ATOM 338 O ASP A 24 -12.608 7.846 5.727 1.00 0.00 O ATOM 339 CB ASP A 24 -11.993 8.441 2.410 1.00 0.00 C ATOM 340 CG ASP A 24 -11.076 8.914 1.281 1.00 0.00 C ATOM 341 OD1 ASP A 24 -10.288 8.073 0.799 1.00 0.00 O ATOM 342 OD2 ASP A 24 -11.184 10.108 0.925 1.00 0.00 O ATOM 0 H ASP A 24 -10.160 6.630 2.913 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.026 9.136 4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.490 7.524 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.771 9.189 2.563 1.00 0.00 H new ATOM 347 N GLY A 25 -12.652 6.231 4.144 1.00 0.00 N ATOM 348 CA GLY A 25 -13.565 5.377 4.884 1.00 0.00 C ATOM 349 C GLY A 25 -14.013 4.187 4.032 1.00 0.00 C ATOM 350 O GLY A 25 -13.311 3.783 3.106 1.00 0.00 O ATOM 0 H GLY A 25 -12.358 5.860 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.078 5.017 5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.436 5.954 5.197 1.00 0.00 H new ATOM 354 N PRO A 26 -15.209 3.645 4.385 1.00 0.00 N ATOM 355 CA PRO A 26 -15.759 2.510 3.664 1.00 0.00 C ATOM 356 C PRO A 26 -16.316 2.940 2.306 1.00 0.00 C ATOM 357 O PRO A 26 -16.401 2.133 1.382 1.00 0.00 O ATOM 358 CB PRO A 26 -16.822 1.935 4.587 1.00 0.00 C ATOM 359 CG PRO A 26 -17.151 3.037 5.581 1.00 0.00 C ATOM 360 CD PRO A 26 -16.067 4.098 5.476 1.00 0.00 C ATOM 0 HA PRO A 26 -15.006 1.758 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.708 1.638 4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.455 1.045 5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.129 3.467 5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.196 2.637 6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -16.492 5.079 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.509 4.187 6.408 1.00 0.00 H new ATOM 368 N HIS A 27 -16.679 4.212 2.227 1.00 0.00 N ATOM 369 CA HIS A 27 -17.225 4.760 0.997 1.00 0.00 C ATOM 370 C HIS A 27 -16.232 4.543 -0.146 1.00 0.00 C ATOM 371 O HIS A 27 -16.601 4.623 -1.317 1.00 0.00 O ATOM 372 CB HIS A 27 -17.608 6.230 1.180 1.00 0.00 C ATOM 373 CG HIS A 27 -16.560 7.054 1.888 1.00 0.00 C ATOM 374 ND1 HIS A 27 -16.700 8.412 2.112 1.00 0.00 N ATOM 375 CD2 HIS A 27 -15.356 6.698 2.420 1.00 0.00 C ATOM 376 CE1 HIS A 27 -15.622 8.844 2.750 1.00 0.00 C ATOM 377 NE2 HIS A 27 -14.790 7.780 2.940 1.00 0.00 N ATOM 0 H HIS A 27 -16.606 4.879 2.995 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.145 4.236 0.737 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.801 6.669 0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -18.540 6.285 1.743 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -17.498 8.984 1.833 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -14.934 5.704 2.418 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.435 9.860 3.064 1.00 0.00 H new ATOM 385 N ILE A 28 -14.992 4.273 0.233 1.00 0.00 N ATOM 386 CA ILE A 28 -13.943 4.045 -0.746 1.00 0.00 C ATOM 387 C ILE A 28 -13.801 2.542 -0.994 1.00 0.00 C ATOM 388 O ILE A 28 -14.162 1.731 -0.141 1.00 0.00 O ATOM 389 CB ILE A 28 -12.642 4.720 -0.305 1.00 0.00 C ATOM 390 CG1 ILE A 28 -11.962 3.925 0.812 1.00 0.00 C ATOM 391 CG2 ILE A 28 -12.889 6.176 0.096 1.00 0.00 C ATOM 392 CD1 ILE A 28 -10.624 3.353 0.340 1.00 0.00 C ATOM 0 H ILE A 28 -14.690 4.207 1.205 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.206 4.503 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.958 4.731 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.802 4.569 1.676 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.615 3.114 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.949 6.633 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.296 6.723 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.598 6.210 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.161 2.793 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.791 2.690 -0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.965 4.168 0.040 1.00 0.00 H new ATOM 404 N THR A 29 -13.276 2.215 -2.165 1.00 0.00 N ATOM 405 CA THR A 29 -13.083 0.823 -2.537 1.00 0.00 C ATOM 406 C THR A 29 -11.593 0.474 -2.540 1.00 0.00 C ATOM 407 O THR A 29 -10.744 1.358 -2.430 1.00 0.00 O ATOM 408 CB THR A 29 -13.763 0.595 -3.888 1.00 0.00 C ATOM 409 OG1 THR A 29 -13.109 1.509 -4.764 1.00 0.00 O ATOM 410 CG2 THR A 29 -15.222 1.054 -3.894 1.00 0.00 C ATOM 0 H THR A 29 -12.978 2.890 -2.869 1.00 0.00 H new ATOM 0 HA THR A 29 -13.541 0.152 -1.810 1.00 0.00 H new ATOM 0 HB THR A 29 -13.714 -0.463 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.487 1.427 -5.664 1.00 0.00 H new ATOM 0 HG21 THR A 29 -15.657 0.870 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.781 0.500 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.269 2.120 -3.671 1.00 0.00 H new ATOM 418 N VAL A 30 -11.320 -0.816 -2.667 1.00 0.00 N ATOM 419 CA VAL A 30 -9.948 -1.293 -2.686 1.00 0.00 C ATOM 420 C VAL A 30 -9.144 -0.479 -3.701 1.00 0.00 C ATOM 421 O VAL A 30 -7.978 -0.164 -3.466 1.00 0.00 O ATOM 422 CB VAL A 30 -9.920 -2.796 -2.968 1.00 0.00 C ATOM 423 CG1 VAL A 30 -8.489 -3.284 -3.203 1.00 0.00 C ATOM 424 CG2 VAL A 30 -10.588 -3.580 -1.836 1.00 0.00 C ATOM 0 H VAL A 30 -12.026 -1.546 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.481 -1.150 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.489 -2.975 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.498 -4.356 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.062 -2.760 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.886 -3.084 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.554 -4.646 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.060 -3.390 -0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.626 -3.263 -1.737 1.00 0.00 H new ATOM 434 N SER A 31 -9.798 -0.161 -4.808 1.00 0.00 N ATOM 435 CA SER A 31 -9.159 0.611 -5.860 1.00 0.00 C ATOM 436 C SER A 31 -8.603 1.916 -5.287 1.00 0.00 C ATOM 437 O SER A 31 -7.449 2.264 -5.533 1.00 0.00 O ATOM 438 CB SER A 31 -10.136 0.905 -6.999 1.00 0.00 C ATOM 439 OG SER A 31 -10.119 2.279 -7.377 1.00 0.00 O ATOM 0 H SER A 31 -10.765 -0.424 -5.000 1.00 0.00 H new ATOM 0 HA SER A 31 -8.338 0.021 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.883 0.289 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.144 0.626 -6.693 1.00 0.00 H new ATOM 0 HG SER A 31 -10.755 2.425 -8.108 1.00 0.00 H new ATOM 445 N GLN A 32 -9.450 2.603 -4.535 1.00 0.00 N ATOM 446 CA GLN A 32 -9.057 3.863 -3.925 1.00 0.00 C ATOM 447 C GLN A 32 -8.020 3.620 -2.827 1.00 0.00 C ATOM 448 O GLN A 32 -7.115 4.430 -2.634 1.00 0.00 O ATOM 449 CB GLN A 32 -10.275 4.608 -3.375 1.00 0.00 C ATOM 450 CG GLN A 32 -11.222 5.021 -4.503 1.00 0.00 C ATOM 451 CD GLN A 32 -12.234 6.060 -4.017 1.00 0.00 C ATOM 452 OE1 GLN A 32 -11.887 7.091 -3.465 1.00 0.00 O ATOM 453 NE2 GLN A 32 -13.501 5.732 -4.253 1.00 0.00 N ATOM 0 H GLN A 32 -10.407 2.312 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.604 4.491 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.805 3.972 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.948 5.492 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.647 5.429 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.748 4.144 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.722 4.852 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.252 6.360 -3.967 1.00 0.00 H new ATOM 462 N LEU A 33 -8.186 2.502 -2.136 1.00 0.00 N ATOM 463 CA LEU A 33 -7.276 2.143 -1.063 1.00 0.00 C ATOM 464 C LEU A 33 -5.866 1.972 -1.631 1.00 0.00 C ATOM 465 O LEU A 33 -4.917 2.586 -1.144 1.00 0.00 O ATOM 466 CB LEU A 33 -7.790 0.912 -0.313 1.00 0.00 C ATOM 467 CG LEU A 33 -6.869 0.357 0.776 1.00 0.00 C ATOM 468 CD1 LEU A 33 -6.192 1.489 1.550 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.628 -0.596 1.701 1.00 0.00 C ATOM 0 H LEU A 33 -8.938 1.833 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.227 2.941 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.748 1.162 0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.979 0.121 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.080 -0.221 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.543 1.068 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.598 2.094 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.952 2.114 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.951 -0.977 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.451 -0.063 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.024 -1.429 1.120 1.00 0.00 H new ATOM 481 N LYS A 34 -5.772 1.136 -2.655 1.00 0.00 N ATOM 482 CA LYS A 34 -4.494 0.877 -3.295 1.00 0.00 C ATOM 483 C LYS A 34 -3.876 2.202 -3.747 1.00 0.00 C ATOM 484 O LYS A 34 -2.859 2.633 -3.206 1.00 0.00 O ATOM 485 CB LYS A 34 -4.657 -0.142 -4.425 1.00 0.00 C ATOM 486 CG LYS A 34 -4.896 -1.546 -3.867 1.00 0.00 C ATOM 487 CD LYS A 34 -5.793 -2.362 -4.800 1.00 0.00 C ATOM 488 CE LYS A 34 -5.687 -3.857 -4.494 1.00 0.00 C ATOM 489 NZ LYS A 34 -6.365 -4.650 -5.543 1.00 0.00 N ATOM 0 H LYS A 34 -6.561 0.629 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.799 0.426 -2.587 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.493 0.147 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.764 -0.143 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.942 -2.056 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.358 -1.476 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.828 -2.037 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.509 -2.178 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.638 -4.148 -4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.135 -4.068 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.024 -5.322 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.893 -4.013 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.656 -5.174 -6.095 1.00 0.00 H new ATOM 503 N THR A 35 -4.518 2.812 -4.733 1.00 0.00 N ATOM 504 CA THR A 35 -4.045 4.079 -5.263 1.00 0.00 C ATOM 505 C THR A 35 -3.404 4.916 -4.153 1.00 0.00 C ATOM 506 O THR A 35 -2.344 5.507 -4.350 1.00 0.00 O ATOM 507 CB THR A 35 -5.224 4.776 -5.945 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.315 4.139 -7.216 1.00 0.00 O ATOM 509 CG2 THR A 35 -4.924 6.238 -6.282 1.00 0.00 C ATOM 0 H THR A 35 -5.362 2.452 -5.178 1.00 0.00 H new ATOM 0 HA THR A 35 -3.263 3.929 -6.007 1.00 0.00 H new ATOM 0 HB THR A 35 -6.100 4.725 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.056 4.529 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.793 6.686 -6.764 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.696 6.783 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.069 6.288 -6.956 1.00 0.00 H new ATOM 517 N LEU A 36 -4.076 4.939 -3.011 1.00 0.00 N ATOM 518 CA LEU A 36 -3.585 5.693 -1.870 1.00 0.00 C ATOM 519 C LEU A 36 -2.201 5.173 -1.477 1.00 0.00 C ATOM 520 O LEU A 36 -1.201 5.870 -1.646 1.00 0.00 O ATOM 521 CB LEU A 36 -4.602 5.657 -0.727 1.00 0.00 C ATOM 522 CG LEU A 36 -5.643 6.779 -0.720 1.00 0.00 C ATOM 523 CD1 LEU A 36 -6.702 6.537 0.356 1.00 0.00 C ATOM 524 CD2 LEU A 36 -4.974 8.146 -0.569 1.00 0.00 C ATOM 0 H LEU A 36 -4.956 4.448 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.468 6.745 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.126 4.702 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.059 5.686 0.217 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.155 6.776 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.429 7.349 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.209 5.592 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.224 6.498 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.736 8.926 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.419 8.178 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.289 8.310 -1.401 1.00 0.00 H new ATOM 536 N ILE A 37 -2.186 3.953 -0.961 1.00 0.00 N ATOM 537 CA ILE A 37 -0.941 3.331 -0.544 1.00 0.00 C ATOM 538 C ILE A 37 0.032 3.306 -1.724 1.00 0.00 C ATOM 539 O ILE A 37 1.224 3.559 -1.555 1.00 0.00 O ATOM 540 CB ILE A 37 -1.207 1.952 0.064 1.00 0.00 C ATOM 541 CG1 ILE A 37 -1.729 2.076 1.497 1.00 0.00 C ATOM 542 CG2 ILE A 37 0.038 1.067 -0.019 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.136 1.488 1.620 1.00 0.00 C ATOM 0 H ILE A 37 -3.017 3.378 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.469 3.916 0.246 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.987 1.465 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.054 1.560 2.180 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.742 3.125 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.178 0.093 0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.325 0.939 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.856 1.537 0.527 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.484 1.589 2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.813 2.022 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.115 0.433 1.346 1.00 0.00 H new ATOM 555 N GLN A 38 -0.512 2.999 -2.892 1.00 0.00 N ATOM 556 CA GLN A 38 0.294 2.937 -4.100 1.00 0.00 C ATOM 557 C GLN A 38 1.113 4.220 -4.257 1.00 0.00 C ATOM 558 O GLN A 38 2.260 4.177 -4.699 1.00 0.00 O ATOM 559 CB GLN A 38 -0.581 2.691 -5.330 1.00 0.00 C ATOM 560 CG GLN A 38 0.199 2.955 -6.620 1.00 0.00 C ATOM 561 CD GLN A 38 -0.552 3.934 -7.524 1.00 0.00 C ATOM 562 OE1 GLN A 38 -0.678 3.741 -8.722 1.00 0.00 O ATOM 563 NE2 GLN A 38 -1.042 4.993 -6.886 1.00 0.00 N ATOM 0 H GLN A 38 -1.501 2.790 -3.028 1.00 0.00 H new ATOM 0 HA GLN A 38 0.983 2.097 -4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.943 1.663 -5.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.458 3.338 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.182 3.359 -6.378 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.361 2.016 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.900 5.093 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.559 5.705 -7.402 1.00 0.00 H new ATOM 572 N ASP A 39 0.492 5.330 -3.887 1.00 0.00 N ATOM 573 CA ASP A 39 1.149 6.622 -3.981 1.00 0.00 C ATOM 574 C ASP A 39 1.965 6.869 -2.711 1.00 0.00 C ATOM 575 O ASP A 39 3.190 6.969 -2.765 1.00 0.00 O ATOM 576 CB ASP A 39 0.126 7.752 -4.113 1.00 0.00 C ATOM 577 CG ASP A 39 0.592 8.953 -4.938 1.00 0.00 C ATOM 578 OD1 ASP A 39 1.800 9.264 -4.857 1.00 0.00 O ATOM 579 OD2 ASP A 39 -0.271 9.533 -5.633 1.00 0.00 O ATOM 0 H ASP A 39 -0.460 5.361 -3.521 1.00 0.00 H new ATOM 0 HA ASP A 39 1.790 6.611 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.781 7.350 -4.565 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.142 8.098 -3.115 1.00 0.00 H new ATOM 584 N GLN A 40 1.253 6.960 -1.597 1.00 0.00 N ATOM 585 CA GLN A 40 1.896 7.193 -0.315 1.00 0.00 C ATOM 586 C GLN A 40 3.112 6.278 -0.157 1.00 0.00 C ATOM 587 O GLN A 40 4.221 6.751 0.088 1.00 0.00 O ATOM 588 CB GLN A 40 0.909 6.996 0.837 1.00 0.00 C ATOM 589 CG GLN A 40 0.229 8.315 1.209 1.00 0.00 C ATOM 590 CD GLN A 40 -0.786 8.111 2.335 1.00 0.00 C ATOM 591 OE1 GLN A 40 -0.443 7.839 3.473 1.00 0.00 O ATOM 592 NE2 GLN A 40 -2.052 8.258 1.955 1.00 0.00 N ATOM 0 H GLN A 40 0.237 6.877 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 40 2.238 8.228 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.155 6.262 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.433 6.596 1.705 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.981 9.041 1.519 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.272 8.729 0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.270 8.486 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.805 8.143 2.633 1.00 0.00 H new ATOM 601 N LEU A 41 2.863 4.985 -0.303 1.00 0.00 N ATOM 602 CA LEU A 41 3.924 4.000 -0.179 1.00 0.00 C ATOM 603 C LEU A 41 4.764 3.998 -1.458 1.00 0.00 C ATOM 604 O LEU A 41 5.897 3.518 -1.461 1.00 0.00 O ATOM 605 CB LEU A 41 3.345 2.630 0.178 1.00 0.00 C ATOM 606 CG LEU A 41 2.465 2.579 1.429 1.00 0.00 C ATOM 607 CD1 LEU A 41 2.326 1.144 1.942 1.00 0.00 C ATOM 608 CD2 LEU A 41 2.993 3.525 2.509 1.00 0.00 C ATOM 0 H LEU A 41 1.942 4.597 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 41 4.592 4.261 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.759 2.273 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.171 1.932 0.311 1.00 0.00 H new ATOM 0 HG LEU A 41 1.467 2.923 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.696 1.135 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.872 0.524 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.311 0.750 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.350 3.470 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.007 3.234 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.999 4.546 2.127 1.00 0.00 H new ATOM 620 N GLN A 42 4.177 4.541 -2.514 1.00 0.00 N ATOM 621 CA GLN A 42 4.857 4.609 -3.797 1.00 0.00 C ATOM 622 C GLN A 42 5.078 3.201 -4.355 1.00 0.00 C ATOM 623 O GLN A 42 6.168 2.880 -4.825 1.00 0.00 O ATOM 624 CB GLN A 42 6.182 5.365 -3.676 1.00 0.00 C ATOM 625 CG GLN A 42 5.942 6.851 -3.404 1.00 0.00 C ATOM 626 CD GLN A 42 5.144 7.494 -4.541 1.00 0.00 C ATOM 627 OE1 GLN A 42 5.134 7.028 -5.668 1.00 0.00 O ATOM 628 NE2 GLN A 42 4.478 8.588 -4.182 1.00 0.00 N ATOM 0 H GLN A 42 3.238 4.938 -2.508 1.00 0.00 H new ATOM 0 HA GLN A 42 4.225 5.160 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.778 4.936 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.757 5.248 -4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.403 6.970 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.898 7.363 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.530 8.924 -3.220 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.915 9.091 -4.868 1.00 0.00 H new ATOM 637 N ILE A 43 4.025 2.400 -4.285 1.00 0.00 N ATOM 638 CA ILE A 43 4.090 1.034 -4.777 1.00 0.00 C ATOM 639 C ILE A 43 3.003 0.825 -5.832 1.00 0.00 C ATOM 640 O ILE A 43 1.900 1.356 -5.707 1.00 0.00 O ATOM 641 CB ILE A 43 4.019 0.041 -3.615 1.00 0.00 C ATOM 642 CG1 ILE A 43 5.160 0.275 -2.623 1.00 0.00 C ATOM 643 CG2 ILE A 43 3.990 -1.400 -4.126 1.00 0.00 C ATOM 644 CD1 ILE A 43 4.903 -0.463 -1.308 1.00 0.00 C ATOM 0 H ILE A 43 3.122 2.671 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 43 5.048 0.850 -5.264 1.00 0.00 H new ATOM 0 HB ILE A 43 3.086 0.210 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.100 -0.065 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.266 1.343 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.940 -2.085 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.116 -1.543 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.894 -1.600 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.729 -0.280 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.975 -0.103 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.822 -1.533 -1.501 1.00 0.00 H new ATOM 656 N PRO A 44 3.360 0.029 -6.876 1.00 0.00 N ATOM 657 CA PRO A 44 2.427 -0.257 -7.953 1.00 0.00 C ATOM 658 C PRO A 44 1.365 -1.263 -7.505 1.00 0.00 C ATOM 659 O PRO A 44 1.694 -2.334 -6.998 1.00 0.00 O ATOM 660 CB PRO A 44 3.289 -0.772 -9.094 1.00 0.00 C ATOM 661 CG PRO A 44 4.606 -1.194 -8.463 1.00 0.00 C ATOM 662 CD PRO A 44 4.657 -0.616 -7.058 1.00 0.00 C ATOM 0 HA PRO A 44 1.861 0.621 -8.264 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.810 -1.612 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.446 0.002 -9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.683 -2.281 -8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.446 -0.832 -9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.819 -1.396 -6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.473 0.099 -6.953 1.00 0.00 H new ATOM 670 N ILE A 45 0.112 -0.882 -7.708 1.00 0.00 N ATOM 671 CA ILE A 45 -1.001 -1.737 -7.332 1.00 0.00 C ATOM 672 C ILE A 45 -0.775 -3.140 -7.900 1.00 0.00 C ATOM 673 O ILE A 45 -0.757 -4.119 -7.156 1.00 0.00 O ATOM 674 CB ILE A 45 -2.329 -1.107 -7.757 1.00 0.00 C ATOM 675 CG1 ILE A 45 -2.440 0.332 -7.250 1.00 0.00 C ATOM 676 CG2 ILE A 45 -3.512 -1.967 -7.308 1.00 0.00 C ATOM 677 CD1 ILE A 45 -3.855 0.877 -7.454 1.00 0.00 C ATOM 0 H ILE A 45 -0.157 0.008 -8.128 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.056 -1.837 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.356 -1.067 -8.846 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.181 0.370 -6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.724 0.963 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.444 -1.497 -7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.434 -2.956 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.502 -2.061 -6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.907 1.901 -7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.102 0.860 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.566 0.258 -6.907 1.00 0.00 H new ATOM 689 N HIS A 46 -0.610 -3.192 -9.214 1.00 0.00 N ATOM 690 CA HIS A 46 -0.386 -4.458 -9.890 1.00 0.00 C ATOM 691 C HIS A 46 0.522 -5.344 -9.035 1.00 0.00 C ATOM 692 O HIS A 46 0.418 -6.569 -9.076 1.00 0.00 O ATOM 693 CB HIS A 46 0.164 -4.231 -11.300 1.00 0.00 C ATOM 694 CG HIS A 46 0.824 -2.887 -11.493 1.00 0.00 C ATOM 695 ND1 HIS A 46 0.109 -1.705 -11.571 1.00 0.00 N ATOM 696 CD2 HIS A 46 2.140 -2.551 -11.621 1.00 0.00 C ATOM 697 CE1 HIS A 46 0.966 -0.708 -11.739 1.00 0.00 C ATOM 698 NE2 HIS A 46 2.224 -1.235 -11.771 1.00 0.00 N ATOM 0 H HIS A 46 -0.627 -2.378 -9.828 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.334 -4.981 -10.012 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.886 -5.015 -11.528 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.651 -4.330 -12.017 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.972 -3.239 -11.603 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.713 0.338 -11.834 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.087 -0.705 -11.891 1.00 0.00 H new ATOM 706 N ASN A 47 1.392 -4.689 -8.279 1.00 0.00 N ATOM 707 CA ASN A 47 2.317 -5.402 -7.415 1.00 0.00 C ATOM 708 C ASN A 47 1.706 -5.535 -6.019 1.00 0.00 C ATOM 709 O ASN A 47 1.776 -6.599 -5.406 1.00 0.00 O ATOM 710 CB ASN A 47 3.640 -4.645 -7.282 1.00 0.00 C ATOM 711 CG ASN A 47 4.498 -4.814 -8.537 1.00 0.00 C ATOM 712 OD1 ASN A 47 4.031 -5.214 -9.591 1.00 0.00 O ATOM 713 ND2 ASN A 47 5.777 -4.490 -8.367 1.00 0.00 N ATOM 0 H ASN A 47 1.475 -3.673 -8.247 1.00 0.00 H new ATOM 0 HA ASN A 47 2.504 -6.381 -7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.442 -3.587 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.186 -5.010 -6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.431 -4.570 -9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.103 -4.162 -7.458 1.00 0.00 H new ATOM 720 N GLN A 48 1.121 -4.439 -5.558 1.00 0.00 N ATOM 721 CA GLN A 48 0.497 -4.420 -4.245 1.00 0.00 C ATOM 722 C GLN A 48 -0.469 -5.598 -4.099 1.00 0.00 C ATOM 723 O GLN A 48 -1.149 -5.969 -5.054 1.00 0.00 O ATOM 724 CB GLN A 48 -0.218 -3.091 -3.997 1.00 0.00 C ATOM 725 CG GLN A 48 0.732 -1.910 -4.209 1.00 0.00 C ATOM 726 CD GLN A 48 0.380 -0.749 -3.276 1.00 0.00 C ATOM 727 OE1 GLN A 48 1.122 -0.396 -2.375 1.00 0.00 O ATOM 728 NE2 GLN A 48 -0.791 -0.177 -3.543 1.00 0.00 N ATOM 0 H GLN A 48 1.066 -3.558 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 48 1.278 -4.521 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.071 -3.002 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.610 -3.069 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.759 -2.228 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.679 -1.577 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.364 -0.523 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.116 0.607 -2.978 1.00 0.00 H new ATOM 737 N THR A 49 -0.498 -6.153 -2.896 1.00 0.00 N ATOM 738 CA THR A 49 -1.369 -7.280 -2.613 1.00 0.00 C ATOM 739 C THR A 49 -2.093 -7.074 -1.281 1.00 0.00 C ATOM 740 O THR A 49 -1.473 -7.125 -0.220 1.00 0.00 O ATOM 741 CB THR A 49 -0.522 -8.554 -2.653 1.00 0.00 C ATOM 742 OG1 THR A 49 0.218 -8.441 -3.866 1.00 0.00 O ATOM 743 CG2 THR A 49 -1.368 -9.814 -2.850 1.00 0.00 C ATOM 0 H THR A 49 0.068 -5.843 -2.106 1.00 0.00 H new ATOM 0 HA THR A 49 -2.154 -7.370 -3.363 1.00 0.00 H new ATOM 0 HB THR A 49 0.048 -8.640 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.155 -8.239 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.718 -10.689 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.077 -9.908 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.912 -9.743 -3.792 1.00 0.00 H new ATOM 751 N LEU A 50 -3.394 -6.845 -1.380 1.00 0.00 N ATOM 752 CA LEU A 50 -4.209 -6.630 -0.196 1.00 0.00 C ATOM 753 C LEU A 50 -4.756 -7.973 0.291 1.00 0.00 C ATOM 754 O LEU A 50 -5.305 -8.746 -0.494 1.00 0.00 O ATOM 755 CB LEU A 50 -5.294 -5.588 -0.474 1.00 0.00 C ATOM 756 CG LEU A 50 -4.856 -4.125 -0.389 1.00 0.00 C ATOM 757 CD1 LEU A 50 -4.070 -3.862 0.898 1.00 0.00 C ATOM 758 CD2 LEU A 50 -4.068 -3.714 -1.635 1.00 0.00 C ATOM 0 H LEU A 50 -3.904 -6.804 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.605 -6.219 0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.697 -5.769 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.109 -5.744 0.232 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.750 -3.503 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.770 -2.815 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.697 -4.090 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.182 -4.494 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.769 -2.669 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.180 -4.339 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.693 -3.840 -2.519 1.00 0.00 H new ATOM 770 N SER A 51 -4.589 -8.211 1.583 1.00 0.00 N ATOM 771 CA SER A 51 -5.059 -9.447 2.184 1.00 0.00 C ATOM 772 C SER A 51 -5.136 -9.294 3.705 1.00 0.00 C ATOM 773 O SER A 51 -4.250 -8.701 4.318 1.00 0.00 O ATOM 774 CB SER A 51 -4.150 -10.621 1.814 1.00 0.00 C ATOM 775 OG SER A 51 -4.814 -11.874 1.950 1.00 0.00 O ATOM 0 H SER A 51 -4.134 -7.568 2.231 1.00 0.00 H new ATOM 0 HA SER A 51 -6.055 -9.658 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.806 -10.503 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.265 -10.609 2.450 1.00 0.00 H new ATOM 0 HG SER A 51 -4.187 -12.600 1.750 1.00 0.00 H new ATOM 781 N THR A 52 -6.203 -9.839 4.270 1.00 0.00 N ATOM 782 CA THR A 52 -6.407 -9.771 5.706 1.00 0.00 C ATOM 783 C THR A 52 -5.755 -10.971 6.395 1.00 0.00 C ATOM 784 O THR A 52 -6.279 -11.484 7.383 1.00 0.00 O ATOM 785 CB THR A 52 -7.911 -9.663 5.966 1.00 0.00 C ATOM 786 OG1 THR A 52 -8.482 -10.648 5.109 1.00 0.00 O ATOM 787 CG2 THR A 52 -8.500 -8.344 5.463 1.00 0.00 C ATOM 0 H THR A 52 -6.936 -10.330 3.758 1.00 0.00 H new ATOM 0 HA THR A 52 -5.926 -8.891 6.132 1.00 0.00 H new ATOM 0 HB THR A 52 -8.103 -9.761 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.456 -10.648 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.569 -8.320 5.673 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.012 -7.511 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.339 -8.260 4.388 1.00 0.00 H new ATOM 795 N ASN A 53 -4.622 -11.385 5.847 1.00 0.00 N ATOM 796 CA ASN A 53 -3.894 -12.515 6.396 1.00 0.00 C ATOM 797 C ASN A 53 -2.399 -12.190 6.420 1.00 0.00 C ATOM 798 O ASN A 53 -1.900 -11.485 5.545 1.00 0.00 O ATOM 799 CB ASN A 53 -4.092 -13.767 5.540 1.00 0.00 C ATOM 800 CG ASN A 53 -4.152 -15.024 6.410 1.00 0.00 C ATOM 801 OD1 ASN A 53 -3.144 -15.595 6.791 1.00 0.00 O ATOM 802 ND2 ASN A 53 -5.387 -15.420 6.703 1.00 0.00 N ATOM 0 H ASN A 53 -4.190 -10.957 5.028 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.271 -12.703 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.013 -13.676 4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.275 -13.855 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.534 -16.248 7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.188 -14.895 6.351 1.00 0.00 H new ATOM 809 N ARG A 54 -1.727 -12.721 7.431 1.00 0.00 N ATOM 810 CA ARG A 54 -0.299 -12.496 7.580 1.00 0.00 C ATOM 811 C ARG A 54 0.485 -13.428 6.654 1.00 0.00 C ATOM 812 O ARG A 54 1.619 -13.130 6.283 1.00 0.00 O ATOM 813 CB ARG A 54 0.148 -12.730 9.025 1.00 0.00 C ATOM 814 CG ARG A 54 0.357 -14.220 9.299 1.00 0.00 C ATOM 815 CD ARG A 54 0.191 -14.532 10.788 1.00 0.00 C ATOM 816 NE ARG A 54 -0.697 -15.703 10.964 1.00 0.00 N ATOM 817 CZ ARG A 54 -1.999 -15.714 10.646 1.00 0.00 C ATOM 818 NH1 ARG A 54 -2.573 -14.616 10.135 1.00 0.00 N ATOM 819 NH2 ARG A 54 -2.727 -16.822 10.840 1.00 0.00 N ATOM 0 H ARG A 54 -2.145 -13.306 8.155 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.097 -11.459 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.074 -12.188 9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.601 -12.332 9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.358 -14.804 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.353 -14.518 8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.164 -14.732 11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.226 -13.668 11.305 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.293 -16.555 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.019 -13.772 9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.564 -14.624 9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.290 -17.657 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.718 -16.830 10.598 1.00 0.00 H new ATOM 833 N ASN A 55 -0.151 -14.537 6.307 1.00 0.00 N ATOM 834 CA ASN A 55 0.472 -15.515 5.431 1.00 0.00 C ATOM 835 C ASN A 55 0.948 -14.819 4.154 1.00 0.00 C ATOM 836 O ASN A 55 1.821 -15.328 3.454 1.00 0.00 O ATOM 837 CB ASN A 55 -0.520 -16.609 5.032 1.00 0.00 C ATOM 838 CG ASN A 55 -0.768 -17.574 6.193 1.00 0.00 C ATOM 839 OD1 ASN A 55 0.024 -17.696 7.113 1.00 0.00 O ATOM 840 ND2 ASN A 55 -1.910 -18.250 6.100 1.00 0.00 N ATOM 0 H ASN A 55 -1.092 -14.780 6.617 1.00 0.00 H new ATOM 0 HA ASN A 55 1.307 -15.965 5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.462 -16.156 4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.135 -17.159 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.168 -18.918 6.826 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.528 -18.100 5.303 1.00 0.00 H new ATOM 847 N LEU A 56 0.352 -13.665 3.890 1.00 0.00 N ATOM 848 CA LEU A 56 0.704 -12.894 2.710 1.00 0.00 C ATOM 849 C LEU A 56 2.217 -12.667 2.686 1.00 0.00 C ATOM 850 O LEU A 56 2.851 -12.795 1.640 1.00 0.00 O ATOM 851 CB LEU A 56 -0.113 -11.602 2.651 1.00 0.00 C ATOM 852 CG LEU A 56 -0.373 -11.036 1.253 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.323 -11.939 0.464 1.00 0.00 C ATOM 854 CD2 LEU A 56 -0.884 -9.596 1.331 1.00 0.00 C ATOM 0 H LEU A 56 -0.372 -13.246 4.473 1.00 0.00 H new ATOM 0 HA LEU A 56 0.450 -13.446 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.074 -11.781 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.402 -10.842 3.239 1.00 0.00 H new ATOM 0 HG LEU A 56 0.573 -11.013 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.491 -11.514 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.882 -12.931 0.363 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.274 -12.017 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.061 -9.218 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.815 -9.571 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.141 -8.972 1.828 1.00 0.00 H new ATOM 866 N LEU A 57 2.751 -12.335 3.852 1.00 0.00 N ATOM 867 CA LEU A 57 4.178 -12.090 3.978 1.00 0.00 C ATOM 868 C LEU A 57 4.937 -13.401 3.769 1.00 0.00 C ATOM 869 O LEU A 57 6.122 -13.391 3.439 1.00 0.00 O ATOM 870 CB LEU A 57 4.488 -11.405 5.311 1.00 0.00 C ATOM 871 CG LEU A 57 3.550 -10.266 5.714 1.00 0.00 C ATOM 872 CD1 LEU A 57 3.957 -9.671 7.063 1.00 0.00 C ATOM 873 CD2 LEU A 57 3.477 -9.202 4.617 1.00 0.00 C ATOM 0 H LEU A 57 2.222 -12.230 4.718 1.00 0.00 H new ATOM 0 HA LEU A 57 4.516 -11.400 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.470 -12.160 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.505 -11.014 5.268 1.00 0.00 H new ATOM 0 HG LEU A 57 2.547 -10.676 5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.274 -8.863 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.916 -10.445 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.972 -9.280 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.804 -8.404 4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.471 -8.791 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.104 -9.653 3.697 1.00 0.00 H new ATOM 885 N LEU A 58 4.224 -14.500 3.971 1.00 0.00 N ATOM 886 CA LEU A 58 4.816 -15.817 3.808 1.00 0.00 C ATOM 887 C LEU A 58 4.900 -16.153 2.318 1.00 0.00 C ATOM 888 O LEU A 58 5.886 -16.730 1.863 1.00 0.00 O ATOM 889 CB LEU A 58 4.049 -16.854 4.631 1.00 0.00 C ATOM 890 CG LEU A 58 3.236 -17.875 3.833 1.00 0.00 C ATOM 891 CD1 LEU A 58 4.152 -18.794 3.023 1.00 0.00 C ATOM 892 CD2 LEU A 58 2.296 -18.663 4.747 1.00 0.00 C ATOM 0 H LEU A 58 3.242 -14.505 4.246 1.00 0.00 H new ATOM 0 HA LEU A 58 5.835 -15.828 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.762 -17.394 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.373 -16.327 5.304 1.00 0.00 H new ATOM 0 HG LEU A 58 2.613 -17.333 3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.548 -19.510 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.743 -18.198 2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.819 -19.330 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.730 -19.382 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.880 -19.193 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.607 -17.977 5.239 1.00 0.00 H new ATOM 904 N ALA A 59 3.852 -15.778 1.600 1.00 0.00 N ATOM 905 CA ALA A 59 3.795 -16.033 0.170 1.00 0.00 C ATOM 906 C ALA A 59 5.086 -15.538 -0.484 1.00 0.00 C ATOM 907 O ALA A 59 5.406 -14.352 -0.414 1.00 0.00 O ATOM 908 CB ALA A 59 2.550 -15.366 -0.418 1.00 0.00 C ATOM 0 H ALA A 59 3.036 -15.300 1.981 1.00 0.00 H new ATOM 0 HA ALA A 59 3.716 -17.102 -0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.507 -15.557 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.659 -15.774 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.596 -14.291 -0.243 1.00 0.00 H new ATOM 914 N LYS A 60 5.793 -16.471 -1.105 1.00 0.00 N ATOM 915 CA LYS A 60 7.042 -16.144 -1.771 1.00 0.00 C ATOM 916 C LYS A 60 6.856 -16.269 -3.284 1.00 0.00 C ATOM 917 O LYS A 60 7.545 -15.603 -4.055 1.00 0.00 O ATOM 918 CB LYS A 60 8.184 -17.000 -1.219 1.00 0.00 C ATOM 919 CG LYS A 60 8.507 -16.617 0.227 1.00 0.00 C ATOM 920 CD LYS A 60 8.442 -17.839 1.146 1.00 0.00 C ATOM 921 CE LYS A 60 8.697 -17.445 2.602 1.00 0.00 C ATOM 922 NZ LYS A 60 7.817 -18.215 3.509 1.00 0.00 N ATOM 0 H LYS A 60 5.524 -17.453 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 60 7.322 -15.110 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.909 -18.054 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.071 -16.873 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.501 -16.173 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.803 -15.860 0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.464 -18.312 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.181 -18.576 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.741 -17.628 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.519 -16.378 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.015 -17.948 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.822 -18.007 3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.994 -19.232 3.384 1.00 0.00 H new ATOM 936 N SER A 61 5.922 -17.128 -3.664 1.00 0.00 N ATOM 937 CA SER A 61 5.636 -17.349 -5.072 1.00 0.00 C ATOM 938 C SER A 61 4.527 -16.403 -5.536 1.00 0.00 C ATOM 939 O SER A 61 3.738 -15.921 -4.725 1.00 0.00 O ATOM 940 CB SER A 61 5.237 -18.803 -5.331 1.00 0.00 C ATOM 941 OG SER A 61 3.900 -19.071 -4.918 1.00 0.00 O ATOM 0 H SER A 61 5.353 -17.680 -3.022 1.00 0.00 H new ATOM 0 HA SER A 61 6.542 -17.142 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.339 -19.023 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.920 -19.466 -4.801 1.00 0.00 H new ATOM 0 HG SER A 61 3.683 -20.009 -5.102 1.00 0.00 H new ATOM 947 N PRO A 62 4.501 -16.160 -6.874 1.00 0.00 N ATOM 948 CA PRO A 62 3.501 -15.280 -7.455 1.00 0.00 C ATOM 949 C PRO A 62 2.136 -15.969 -7.519 1.00 0.00 C ATOM 950 O PRO A 62 1.117 -15.316 -7.740 1.00 0.00 O ATOM 951 CB PRO A 62 4.047 -14.916 -8.826 1.00 0.00 C ATOM 952 CG PRO A 62 5.099 -15.965 -9.148 1.00 0.00 C ATOM 953 CD PRO A 62 5.419 -16.713 -7.864 1.00 0.00 C ATOM 0 HA PRO A 62 3.330 -14.384 -6.858 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.254 -14.915 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.481 -13.916 -8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.732 -16.653 -9.909 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.997 -15.495 -9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.272 -17.786 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.457 -16.565 -7.568 1.00 0.00 H new ATOM 961 N SER A 63 2.159 -17.278 -7.321 1.00 0.00 N ATOM 962 CA SER A 63 0.936 -18.062 -7.353 1.00 0.00 C ATOM 963 C SER A 63 0.298 -18.092 -5.963 1.00 0.00 C ATOM 964 O SER A 63 -0.926 -18.108 -5.838 1.00 0.00 O ATOM 965 CB SER A 63 1.207 -19.486 -7.843 1.00 0.00 C ATOM 966 OG SER A 63 1.404 -19.536 -9.254 1.00 0.00 O ATOM 0 H SER A 63 3.006 -17.816 -7.138 1.00 0.00 H new ATOM 0 HA SER A 63 0.246 -17.591 -8.053 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.089 -19.881 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.370 -20.129 -7.571 1.00 0.00 H new ATOM 0 HG SER A 63 1.576 -20.461 -9.528 1.00 0.00 H new ATOM 972 N ASP A 64 1.155 -18.100 -4.952 1.00 0.00 N ATOM 973 CA ASP A 64 0.689 -18.128 -3.576 1.00 0.00 C ATOM 974 C ASP A 64 -0.171 -16.892 -3.308 1.00 0.00 C ATOM 975 O ASP A 64 -1.261 -16.999 -2.749 1.00 0.00 O ATOM 976 CB ASP A 64 1.864 -18.107 -2.597 1.00 0.00 C ATOM 977 CG ASP A 64 1.614 -18.828 -1.271 1.00 0.00 C ATOM 978 OD1 ASP A 64 0.425 -18.935 -0.899 1.00 0.00 O ATOM 979 OD2 ASP A 64 2.616 -19.255 -0.659 1.00 0.00 O ATOM 0 H ASP A 64 2.169 -18.088 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 64 0.116 -19.044 -3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.729 -18.559 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.123 -17.069 -2.386 1.00 0.00 H new ATOM 984 N PHE A 65 0.351 -15.746 -3.720 1.00 0.00 N ATOM 985 CA PHE A 65 -0.356 -14.490 -3.531 1.00 0.00 C ATOM 986 C PHE A 65 -1.739 -14.537 -4.183 1.00 0.00 C ATOM 987 O PHE A 65 -2.653 -13.832 -3.758 1.00 0.00 O ATOM 988 CB PHE A 65 0.478 -13.401 -4.209 1.00 0.00 C ATOM 989 CG PHE A 65 1.659 -12.909 -3.369 1.00 0.00 C ATOM 990 CD1 PHE A 65 1.464 -12.530 -2.078 1.00 0.00 C ATOM 991 CD2 PHE A 65 2.904 -12.850 -3.914 1.00 0.00 C ATOM 992 CE1 PHE A 65 2.559 -12.073 -1.298 1.00 0.00 C ATOM 993 CE2 PHE A 65 3.999 -12.393 -3.135 1.00 0.00 C ATOM 994 CZ PHE A 65 3.804 -12.014 -1.843 1.00 0.00 C ATOM 0 H PHE A 65 1.255 -15.661 -4.184 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.492 -14.295 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.854 -13.784 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.168 -12.554 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.476 -12.577 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.059 -13.151 -4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.403 -11.772 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.987 -12.346 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.637 -11.666 -1.250 1.00 0.00 H new ATOM 1004 N LEU A 66 -1.849 -15.373 -5.205 1.00 0.00 N ATOM 1005 CA LEU A 66 -3.105 -15.520 -5.920 1.00 0.00 C ATOM 1006 C LEU A 66 -4.115 -16.240 -5.024 1.00 0.00 C ATOM 1007 O LEU A 66 -5.296 -16.324 -5.357 1.00 0.00 O ATOM 1008 CB LEU A 66 -2.877 -16.209 -7.267 1.00 0.00 C ATOM 1009 CG LEU A 66 -1.934 -15.492 -8.236 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -1.437 -16.446 -9.323 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.597 -14.246 -8.826 1.00 0.00 C ATOM 0 H LEU A 66 -1.088 -15.956 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.527 -14.543 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.483 -17.208 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.843 -16.334 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.060 -15.157 -7.677 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.769 -15.912 -9.998 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.900 -17.275 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.288 -16.832 -9.885 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.905 -13.756 -9.511 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.499 -14.535 -9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.860 -13.559 -8.022 1.00 0.00 H new ATOM 1023 N ALA A 67 -3.614 -16.742 -3.905 1.00 0.00 N ATOM 1024 CA ALA A 67 -4.457 -17.452 -2.959 1.00 0.00 C ATOM 1025 C ALA A 67 -5.360 -16.450 -2.236 1.00 0.00 C ATOM 1026 O ALA A 67 -6.457 -16.798 -1.803 1.00 0.00 O ATOM 1027 CB ALA A 67 -3.581 -18.251 -1.993 1.00 0.00 C ATOM 0 H ALA A 67 -2.634 -16.671 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.101 -18.163 -3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.214 -18.784 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.982 -18.968 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.922 -17.571 -1.452 1.00 0.00 H new ATOM 1033 N PHE A 68 -4.864 -15.227 -2.127 1.00 0.00 N ATOM 1034 CA PHE A 68 -5.611 -14.173 -1.463 1.00 0.00 C ATOM 1035 C PHE A 68 -6.311 -13.271 -2.482 1.00 0.00 C ATOM 1036 O PHE A 68 -5.702 -12.350 -3.024 1.00 0.00 O ATOM 1037 CB PHE A 68 -4.602 -13.339 -0.671 1.00 0.00 C ATOM 1038 CG PHE A 68 -3.733 -14.157 0.286 1.00 0.00 C ATOM 1039 CD1 PHE A 68 -4.172 -14.422 1.546 1.00 0.00 C ATOM 1040 CD2 PHE A 68 -2.522 -14.621 -0.123 1.00 0.00 C ATOM 1041 CE1 PHE A 68 -3.366 -15.181 2.434 1.00 0.00 C ATOM 1042 CE2 PHE A 68 -1.716 -15.381 0.765 1.00 0.00 C ATOM 1043 CZ PHE A 68 -2.154 -15.645 2.025 1.00 0.00 C ATOM 0 H PHE A 68 -3.953 -14.942 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.374 -14.609 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.955 -12.810 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.140 -12.582 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.134 -14.055 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.173 -14.411 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.715 -15.390 3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.754 -15.750 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.540 -16.222 2.701 1.00 0.00 H new ATOM 1053 N THR A 69 -7.582 -13.569 -2.714 1.00 0.00 N ATOM 1054 CA THR A 69 -8.371 -12.797 -3.658 1.00 0.00 C ATOM 1055 C THR A 69 -9.609 -12.217 -2.971 1.00 0.00 C ATOM 1056 O THR A 69 -10.732 -12.429 -3.426 1.00 0.00 O ATOM 1057 CB THR A 69 -8.703 -13.702 -4.847 1.00 0.00 C ATOM 1058 OG1 THR A 69 -9.383 -14.809 -4.261 1.00 0.00 O ATOM 1059 CG2 THR A 69 -7.455 -14.322 -5.477 1.00 0.00 C ATOM 0 H THR A 69 -8.084 -14.334 -2.264 1.00 0.00 H new ATOM 0 HA THR A 69 -7.813 -11.938 -4.030 1.00 0.00 H new ATOM 0 HB THR A 69 -9.243 -13.128 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.637 -15.445 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.747 -14.955 -6.315 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.795 -13.530 -5.832 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.933 -14.924 -4.733 1.00 0.00 H new ATOM 1067 N ASP A 70 -9.361 -11.498 -1.886 1.00 0.00 N ATOM 1068 CA ASP A 70 -10.442 -10.886 -1.132 1.00 0.00 C ATOM 1069 C ASP A 70 -10.405 -9.370 -1.334 1.00 0.00 C ATOM 1070 O ASP A 70 -11.442 -8.709 -1.298 1.00 0.00 O ATOM 1071 CB ASP A 70 -10.297 -11.167 0.365 1.00 0.00 C ATOM 1072 CG ASP A 70 -8.859 -11.154 0.889 1.00 0.00 C ATOM 1073 OD1 ASP A 70 -8.350 -10.036 1.119 1.00 0.00 O ATOM 1074 OD2 ASP A 70 -8.302 -12.262 1.047 1.00 0.00 O ATOM 0 H ASP A 70 -8.428 -11.326 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.382 -11.307 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.875 -10.426 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.738 -12.140 0.581 1.00 0.00 H new ATOM 1079 N MET A 71 -9.199 -8.862 -1.542 1.00 0.00 N ATOM 1080 CA MET A 71 -9.013 -7.436 -1.750 1.00 0.00 C ATOM 1081 C MET A 71 -8.496 -7.150 -3.161 1.00 0.00 C ATOM 1082 O MET A 71 -7.894 -6.106 -3.406 1.00 0.00 O ATOM 1083 CB MET A 71 -8.016 -6.896 -0.722 1.00 0.00 C ATOM 1084 CG MET A 71 -8.672 -6.746 0.652 1.00 0.00 C ATOM 1085 SD MET A 71 -9.532 -5.186 0.751 1.00 0.00 S ATOM 1086 CE MET A 71 -8.142 -4.068 0.817 1.00 0.00 C ATOM 0 H MET A 71 -8.341 -9.413 -1.571 1.00 0.00 H new ATOM 0 HA MET A 71 -9.977 -6.942 -1.630 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.162 -7.570 -0.650 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.633 -5.931 -1.054 1.00 0.00 H new ATOM 0 HG2 MET A 71 -9.369 -7.566 0.823 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.915 -6.803 1.434 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.416 -3.181 1.388 1.00 0.00 H new ATOM 0 HE2 MET A 71 -7.299 -4.564 1.299 1.00 0.00 H new ATOM 0 HE3 MET A 71 -7.861 -3.776 -0.195 1.00 0.00 H new ATOM 1096 N ALA A 72 -8.751 -8.097 -4.053 1.00 0.00 N ATOM 1097 CA ALA A 72 -8.320 -7.960 -5.434 1.00 0.00 C ATOM 1098 C ALA A 72 -9.308 -7.066 -6.186 1.00 0.00 C ATOM 1099 O ALA A 72 -8.902 -6.184 -6.941 1.00 0.00 O ATOM 1100 CB ALA A 72 -8.188 -9.346 -6.067 1.00 0.00 C ATOM 0 H ALA A 72 -9.251 -8.962 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.341 -7.484 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.865 -9.244 -7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.453 -9.930 -5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.152 -9.853 -6.036 1.00 0.00 H new ATOM 1106 N ASP A 73 -10.586 -7.326 -5.954 1.00 0.00 N ATOM 1107 CA ASP A 73 -11.636 -6.556 -6.600 1.00 0.00 C ATOM 1108 C ASP A 73 -11.491 -5.082 -6.216 1.00 0.00 C ATOM 1109 O ASP A 73 -11.560 -4.735 -5.038 1.00 0.00 O ATOM 1110 CB ASP A 73 -13.020 -7.028 -6.152 1.00 0.00 C ATOM 1111 CG ASP A 73 -14.195 -6.283 -6.789 1.00 0.00 C ATOM 1112 OD1 ASP A 73 -13.992 -5.748 -7.900 1.00 0.00 O ATOM 1113 OD2 ASP A 73 -15.269 -6.266 -6.151 1.00 0.00 O ATOM 0 H ASP A 73 -10.919 -8.059 -5.328 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.540 -6.692 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.116 -8.090 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.089 -6.926 -5.069 1.00 0.00 H new ATOM 1118 N PRO A 74 -11.290 -4.234 -7.259 1.00 0.00 N ATOM 1119 CA PRO A 74 -11.135 -2.805 -7.043 1.00 0.00 C ATOM 1120 C PRO A 74 -12.481 -2.150 -6.725 1.00 0.00 C ATOM 1121 O PRO A 74 -12.526 -1.059 -6.160 1.00 0.00 O ATOM 1122 CB PRO A 74 -10.506 -2.279 -8.322 1.00 0.00 C ATOM 1123 CG PRO A 74 -10.758 -3.343 -9.379 1.00 0.00 C ATOM 1124 CD PRO A 74 -11.203 -4.610 -8.667 1.00 0.00 C ATOM 0 HA PRO A 74 -10.506 -2.575 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.950 -1.327 -8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.438 -2.105 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.523 -3.011 -10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.853 -3.528 -9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.165 -4.959 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.489 -5.420 -8.817 1.00 0.00 H new ATOM 1132 N ASN A 75 -13.545 -2.844 -7.103 1.00 0.00 N ATOM 1133 CA ASN A 75 -14.888 -2.344 -6.865 1.00 0.00 C ATOM 1134 C ASN A 75 -15.361 -2.800 -5.484 1.00 0.00 C ATOM 1135 O ASN A 75 -16.448 -2.430 -5.042 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.870 -2.888 -7.905 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.185 -1.832 -8.967 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -17.023 -0.964 -8.787 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -15.469 -1.954 -10.080 1.00 0.00 N ATOM 0 H ASN A 75 -13.504 -3.749 -7.572 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.859 -1.256 -6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.448 -3.773 -8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.791 -3.200 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.605 -1.297 -10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.783 -2.704 -10.166 1.00 0.00 H new ATOM 1146 N LEU A 76 -14.521 -3.597 -4.840 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.840 -4.108 -3.517 1.00 0.00 C ATOM 1148 C LEU A 76 -14.547 -3.028 -2.474 1.00 0.00 C ATOM 1149 O LEU A 76 -13.549 -2.316 -2.575 1.00 0.00 O ATOM 1150 CB LEU A 76 -14.106 -5.426 -3.261 1.00 0.00 C ATOM 1151 CG LEU A 76 -14.134 -5.940 -1.820 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -14.848 -7.291 -1.734 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -12.723 -5.999 -1.231 1.00 0.00 C ATOM 0 H LEU A 76 -13.620 -3.901 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.902 -4.342 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.537 -6.191 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.066 -5.304 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 76 -14.705 -5.234 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -14.854 -7.634 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -15.874 -7.184 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.325 -8.019 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.772 -6.368 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.107 -6.670 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.284 -5.001 -1.237 1.00 0.00 H new ATOM 1165 N ARG A 77 -15.435 -2.940 -1.495 1.00 0.00 N ATOM 1166 CA ARG A 77 -15.285 -1.959 -0.434 1.00 0.00 C ATOM 1167 C ARG A 77 -14.589 -2.587 0.775 1.00 0.00 C ATOM 1168 O ARG A 77 -14.626 -3.803 0.955 1.00 0.00 O ATOM 1169 CB ARG A 77 -16.643 -1.404 0.000 1.00 0.00 C ATOM 1170 CG ARG A 77 -17.172 -0.391 -1.018 1.00 0.00 C ATOM 1171 CD ARG A 77 -17.717 -1.097 -2.262 1.00 0.00 C ATOM 1172 NE ARG A 77 -18.803 -0.293 -2.865 1.00 0.00 N ATOM 1173 CZ ARG A 77 -19.978 -0.049 -2.267 1.00 0.00 C ATOM 1174 NH1 ARG A 77 -20.225 -0.546 -1.048 1.00 0.00 N ATOM 1175 NH2 ARG A 77 -20.905 0.691 -2.890 1.00 0.00 N ATOM 0 H ARG A 77 -16.261 -3.532 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.679 -1.141 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.356 -2.221 0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -16.550 -0.929 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.959 0.210 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.373 0.293 -1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.916 -1.244 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.090 -2.086 -1.995 1.00 0.00 H new ATOM 0 HE ARG A 77 -18.648 0.100 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.519 -1.110 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.119 -0.360 -0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.717 1.068 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.799 0.877 -2.436 1.00 0.00 H new ATOM 1189 N ILE A 78 -13.971 -1.729 1.574 1.00 0.00 N ATOM 1190 CA ILE A 78 -13.268 -2.185 2.761 1.00 0.00 C ATOM 1191 C ILE A 78 -14.275 -2.776 3.750 1.00 0.00 C ATOM 1192 O ILE A 78 -13.911 -3.580 4.606 1.00 0.00 O ATOM 1193 CB ILE A 78 -12.420 -1.055 3.348 1.00 0.00 C ATOM 1194 CG1 ILE A 78 -13.298 0.121 3.782 1.00 0.00 C ATOM 1195 CG2 ILE A 78 -11.327 -0.624 2.369 1.00 0.00 C ATOM 1196 CD1 ILE A 78 -12.698 0.836 4.994 1.00 0.00 C ATOM 0 H ILE A 78 -13.943 -0.721 1.422 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.567 -2.980 2.507 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.921 -1.431 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.404 0.824 2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.298 -0.238 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.739 0.180 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.677 -1.472 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.785 -0.273 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.342 1.667 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.616 0.136 5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.708 1.215 4.740 1.00 0.00 H new ATOM 1208 N SER A 79 -15.522 -2.354 3.598 1.00 0.00 N ATOM 1209 CA SER A 79 -16.584 -2.831 4.467 1.00 0.00 C ATOM 1210 C SER A 79 -16.673 -4.357 4.396 1.00 0.00 C ATOM 1211 O SER A 79 -17.197 -4.995 5.307 1.00 0.00 O ATOM 1212 CB SER A 79 -17.928 -2.203 4.091 1.00 0.00 C ATOM 1213 OG SER A 79 -18.450 -2.744 2.880 1.00 0.00 O ATOM 0 H SER A 79 -15.820 -1.687 2.886 1.00 0.00 H new ATOM 0 HA SER A 79 -16.348 -2.534 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.642 -2.365 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.807 -1.125 3.984 1.00 0.00 H new ATOM 0 HG SER A 79 -19.309 -2.319 2.675 1.00 0.00 H new ATOM 1219 N SER A 80 -16.153 -4.897 3.303 1.00 0.00 N ATOM 1220 CA SER A 80 -16.167 -6.336 3.101 1.00 0.00 C ATOM 1221 C SER A 80 -15.460 -7.035 4.263 1.00 0.00 C ATOM 1222 O SER A 80 -15.865 -8.120 4.679 1.00 0.00 O ATOM 1223 CB SER A 80 -15.506 -6.712 1.774 1.00 0.00 C ATOM 1224 OG SER A 80 -15.534 -8.118 1.542 1.00 0.00 O ATOM 0 H SER A 80 -15.720 -4.364 2.549 1.00 0.00 H new ATOM 0 HA SER A 80 -17.205 -6.666 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.015 -6.200 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.473 -6.365 1.773 1.00 0.00 H new ATOM 0 HG SER A 80 -14.643 -8.422 1.269 1.00 0.00 H new ATOM 1230 N LEU A 81 -14.415 -6.385 4.756 1.00 0.00 N ATOM 1231 CA LEU A 81 -13.648 -6.931 5.862 1.00 0.00 C ATOM 1232 C LEU A 81 -13.955 -6.134 7.132 1.00 0.00 C ATOM 1233 O LEU A 81 -13.636 -6.573 8.236 1.00 0.00 O ATOM 1234 CB LEU A 81 -12.160 -6.978 5.510 1.00 0.00 C ATOM 1235 CG LEU A 81 -11.816 -6.820 4.027 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -10.332 -6.495 3.840 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -12.236 -8.058 3.233 1.00 0.00 C ATOM 0 H LEU A 81 -14.082 -5.485 4.409 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.939 -7.964 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.650 -6.192 6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.755 -7.928 5.857 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.382 -5.976 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.114 -6.388 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.096 -5.564 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.728 -7.302 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.981 -7.920 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.715 -8.933 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.312 -8.204 3.329 1.00 0.00 H new ATOM 1249 N ASN A 82 -14.569 -4.977 6.932 1.00 0.00 N ATOM 1250 CA ASN A 82 -14.922 -4.116 8.047 1.00 0.00 C ATOM 1251 C ASN A 82 -13.645 -3.635 8.740 1.00 0.00 C ATOM 1252 O ASN A 82 -13.308 -4.106 9.825 1.00 0.00 O ATOM 1253 CB ASN A 82 -15.765 -4.868 9.079 1.00 0.00 C ATOM 1254 CG ASN A 82 -17.250 -4.533 8.924 1.00 0.00 C ATOM 1255 OD1 ASN A 82 -17.639 -3.392 8.737 1.00 0.00 O ATOM 1256 ND2 ASN A 82 -18.054 -5.588 9.012 1.00 0.00 N ATOM 0 H ASN A 82 -14.831 -4.616 6.015 1.00 0.00 H new ATOM 0 HA ASN A 82 -15.496 -3.276 7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.617 -5.942 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.433 -4.608 10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -19.063 -5.469 8.922 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -17.662 -6.516 9.170 1.00 0.00 H new ATOM 1263 N LEU A 83 -12.969 -2.704 8.083 1.00 0.00 N ATOM 1264 CA LEU A 83 -11.736 -2.155 8.621 1.00 0.00 C ATOM 1265 C LEU A 83 -12.039 -0.834 9.331 1.00 0.00 C ATOM 1266 O LEU A 83 -12.528 0.110 8.712 1.00 0.00 O ATOM 1267 CB LEU A 83 -10.678 -2.034 7.523 1.00 0.00 C ATOM 1268 CG LEU A 83 -10.324 -3.329 6.787 1.00 0.00 C ATOM 1269 CD1 LEU A 83 -9.830 -4.397 7.765 1.00 0.00 C ATOM 1270 CD2 LEU A 83 -11.504 -3.822 5.947 1.00 0.00 C ATOM 0 H LEU A 83 -13.252 -2.316 7.183 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.312 -2.829 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.025 -1.306 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.767 -1.631 7.966 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.505 -3.119 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.585 -5.307 7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.941 -4.034 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.611 -4.612 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.226 -4.743 5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.359 -4.012 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.769 -3.063 5.211 1.00 0.00 H new ATOM 1282 N ALA A 84 -11.736 -0.808 10.621 1.00 0.00 N ATOM 1283 CA ALA A 84 -11.969 0.381 11.421 1.00 0.00 C ATOM 1284 C ALA A 84 -10.633 0.904 11.952 1.00 0.00 C ATOM 1285 O ALA A 84 -9.614 0.221 11.859 1.00 0.00 O ATOM 1286 CB ALA A 84 -12.955 0.056 12.545 1.00 0.00 C ATOM 0 H ALA A 84 -11.331 -1.593 11.132 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.414 1.169 10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -13.130 0.949 13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.898 -0.282 12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.541 -0.730 13.176 1.00 0.00 H new ATOM 1292 N HIS A 85 -10.680 2.111 12.496 1.00 0.00 N ATOM 1293 CA HIS A 85 -9.486 2.734 13.042 1.00 0.00 C ATOM 1294 C HIS A 85 -8.830 1.789 14.051 1.00 0.00 C ATOM 1295 O HIS A 85 -9.406 1.494 15.097 1.00 0.00 O ATOM 1296 CB HIS A 85 -9.811 4.104 13.638 1.00 0.00 C ATOM 1297 CG HIS A 85 -8.599 4.971 13.884 1.00 0.00 C ATOM 1298 ND1 HIS A 85 -8.535 6.298 13.496 1.00 0.00 N ATOM 1299 CD2 HIS A 85 -7.407 4.687 14.483 1.00 0.00 C ATOM 1300 CE1 HIS A 85 -7.353 6.780 13.849 1.00 0.00 C ATOM 1301 NE2 HIS A 85 -6.655 5.780 14.460 1.00 0.00 N ATOM 0 H HIS A 85 -11.527 2.675 12.570 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.767 2.912 12.242 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.490 4.629 12.966 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.341 3.962 14.580 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -7.123 3.734 14.905 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.003 7.788 13.682 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -5.711 5.859 14.837 1.00 0.00 H new ATOM 1309 N GLY A 86 -7.633 1.340 13.701 1.00 0.00 N ATOM 1310 CA GLY A 86 -6.893 0.434 14.563 1.00 0.00 C ATOM 1311 C GLY A 86 -6.810 -0.964 13.947 1.00 0.00 C ATOM 1312 O GLY A 86 -6.014 -1.793 14.385 1.00 0.00 O ATOM 0 H GLY A 86 -7.158 1.587 12.833 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.888 0.823 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.377 0.377 15.538 1.00 0.00 H new ATOM 1316 N SER A 87 -7.643 -1.183 12.940 1.00 0.00 N ATOM 1317 CA SER A 87 -7.673 -2.466 12.259 1.00 0.00 C ATOM 1318 C SER A 87 -6.275 -2.823 11.752 1.00 0.00 C ATOM 1319 O SER A 87 -5.349 -2.021 11.857 1.00 0.00 O ATOM 1320 CB SER A 87 -8.671 -2.450 11.099 1.00 0.00 C ATOM 1321 OG SER A 87 -8.550 -1.272 10.307 1.00 0.00 O ATOM 0 H SER A 87 -8.302 -0.493 12.579 1.00 0.00 H new ATOM 0 HA SER A 87 -7.998 -3.224 12.972 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.511 -3.327 10.471 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.685 -2.520 11.492 1.00 0.00 H new ATOM 0 HG SER A 87 -9.080 -0.552 10.708 1.00 0.00 H new ATOM 1327 N MET A 88 -6.166 -4.028 11.212 1.00 0.00 N ATOM 1328 CA MET A 88 -4.896 -4.501 10.688 1.00 0.00 C ATOM 1329 C MET A 88 -5.030 -4.922 9.223 1.00 0.00 C ATOM 1330 O MET A 88 -6.079 -5.412 8.807 1.00 0.00 O ATOM 1331 CB MET A 88 -4.412 -5.691 11.519 1.00 0.00 C ATOM 1332 CG MET A 88 -3.079 -6.223 10.990 1.00 0.00 C ATOM 1333 SD MET A 88 -1.742 -5.178 11.545 1.00 0.00 S ATOM 1334 CE MET A 88 -0.506 -5.578 10.321 1.00 0.00 C ATOM 0 H MET A 88 -6.936 -4.691 11.126 1.00 0.00 H new ATOM 0 HA MET A 88 -4.174 -3.687 10.748 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.300 -5.390 12.561 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.159 -6.484 11.495 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.922 -7.244 11.337 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.098 -6.256 9.901 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.442 -5.789 10.816 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.823 -6.455 9.757 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.381 -4.735 9.642 1.00 0.00 H new ATOM 1344 N VAL A 89 -3.952 -4.716 8.480 1.00 0.00 N ATOM 1345 CA VAL A 89 -3.936 -5.068 7.070 1.00 0.00 C ATOM 1346 C VAL A 89 -2.496 -5.349 6.636 1.00 0.00 C ATOM 1347 O VAL A 89 -1.553 -4.814 7.217 1.00 0.00 O ATOM 1348 CB VAL A 89 -4.604 -3.964 6.248 1.00 0.00 C ATOM 1349 CG1 VAL A 89 -4.546 -4.283 4.753 1.00 0.00 C ATOM 1350 CG2 VAL A 89 -6.046 -3.736 6.705 1.00 0.00 C ATOM 0 H VAL A 89 -3.084 -4.310 8.828 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.511 -5.977 6.896 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.050 -3.040 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.028 -3.483 4.191 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.506 -4.371 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.063 -5.223 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.497 -2.946 6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.617 -4.657 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.053 -3.442 7.755 1.00 0.00 H new ATOM 1360 N TYR A 90 -2.372 -6.188 5.618 1.00 0.00 N ATOM 1361 CA TYR A 90 -1.064 -6.546 5.099 1.00 0.00 C ATOM 1362 C TYR A 90 -0.900 -6.077 3.652 1.00 0.00 C ATOM 1363 O TYR A 90 -1.887 -5.866 2.948 1.00 0.00 O ATOM 1364 CB TYR A 90 -0.999 -8.074 5.137 1.00 0.00 C ATOM 1365 CG TYR A 90 -0.915 -8.658 6.549 1.00 0.00 C ATOM 1366 CD1 TYR A 90 0.306 -8.750 7.186 1.00 0.00 C ATOM 1367 CD2 TYR A 90 -2.059 -9.094 7.185 1.00 0.00 C ATOM 1368 CE1 TYR A 90 0.386 -9.299 8.514 1.00 0.00 C ATOM 1369 CE2 TYR A 90 -1.980 -9.644 8.513 1.00 0.00 C ATOM 1370 CZ TYR A 90 -0.761 -9.719 9.113 1.00 0.00 C ATOM 1371 OH TYR A 90 -0.686 -10.238 10.367 1.00 0.00 O ATOM 0 H TYR A 90 -3.157 -6.630 5.139 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.276 -6.079 5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.881 -8.478 4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.132 -8.405 4.566 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.202 -8.410 6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.014 -9.023 6.686 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.335 -9.376 9.024 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.868 -9.989 9.022 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.582 -10.495 10.669 1.00 0.00 H new ATOM 1381 N LEU A 91 0.353 -5.927 3.250 1.00 0.00 N ATOM 1382 CA LEU A 91 0.659 -5.486 1.899 1.00 0.00 C ATOM 1383 C LEU A 91 1.797 -6.339 1.334 1.00 0.00 C ATOM 1384 O LEU A 91 2.839 -6.490 1.971 1.00 0.00 O ATOM 1385 CB LEU A 91 0.947 -3.984 1.878 1.00 0.00 C ATOM 1386 CG LEU A 91 1.418 -3.410 0.540 1.00 0.00 C ATOM 1387 CD1 LEU A 91 0.312 -3.496 -0.513 1.00 0.00 C ATOM 1388 CD2 LEU A 91 1.939 -1.982 0.709 1.00 0.00 C ATOM 0 H LEU A 91 1.169 -6.103 3.836 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.202 -5.631 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.042 -3.456 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.706 -3.769 2.630 1.00 0.00 H new ATOM 0 HG LEU A 91 2.251 -4.016 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.673 -3.081 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.030 -4.539 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.556 -2.929 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.267 -1.598 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.143 -1.348 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.778 -1.981 1.404 1.00 0.00 H new ATOM 1400 N ALA A 92 1.559 -6.874 0.146 1.00 0.00 N ATOM 1401 CA ALA A 92 2.551 -7.707 -0.512 1.00 0.00 C ATOM 1402 C ALA A 92 2.805 -7.173 -1.923 1.00 0.00 C ATOM 1403 O ALA A 92 1.874 -7.040 -2.716 1.00 0.00 O ATOM 1404 CB ALA A 92 2.076 -9.161 -0.515 1.00 0.00 C ATOM 0 H ALA A 92 0.693 -6.747 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 92 3.498 -7.675 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.820 -9.786 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.940 -9.501 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.129 -9.233 -1.050 1.00 0.00 H new ATOM 1410 N TYR A 93 4.069 -6.882 -2.193 1.00 0.00 N ATOM 1411 CA TYR A 93 4.456 -6.366 -3.495 1.00 0.00 C ATOM 1412 C TYR A 93 5.741 -7.034 -3.990 1.00 0.00 C ATOM 1413 O TYR A 93 6.510 -7.573 -3.195 1.00 0.00 O ATOM 1414 CB TYR A 93 4.718 -4.872 -3.295 1.00 0.00 C ATOM 1415 CG TYR A 93 5.749 -4.560 -2.208 1.00 0.00 C ATOM 1416 CD1 TYR A 93 5.438 -4.774 -0.881 1.00 0.00 C ATOM 1417 CD2 TYR A 93 6.989 -4.065 -2.555 1.00 0.00 C ATOM 1418 CE1 TYR A 93 6.408 -4.481 0.142 1.00 0.00 C ATOM 1419 CE2 TYR A 93 7.959 -3.771 -1.533 1.00 0.00 C ATOM 1420 CZ TYR A 93 7.621 -3.994 -0.234 1.00 0.00 C ATOM 1421 OH TYR A 93 8.537 -3.717 0.732 1.00 0.00 O ATOM 0 H TYR A 93 4.838 -6.994 -1.532 1.00 0.00 H new ATOM 0 HA TYR A 93 3.676 -6.560 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.059 -4.444 -4.238 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.779 -4.380 -3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.467 -5.161 -0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.232 -3.898 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.178 -4.644 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.933 -3.382 -1.791 1.00 0.00 H new ATOM 0 HH TYR A 93 9.357 -3.377 0.317 1.00 0.00 H new ATOM 1431 N GLU A 94 5.932 -6.978 -5.299 1.00 0.00 N ATOM 1432 CA GLU A 94 7.110 -7.572 -5.910 1.00 0.00 C ATOM 1433 C GLU A 94 8.100 -6.481 -6.324 1.00 0.00 C ATOM 1434 O GLU A 94 7.699 -5.361 -6.639 1.00 0.00 O ATOM 1435 CB GLU A 94 6.726 -8.446 -7.105 1.00 0.00 C ATOM 1436 CG GLU A 94 6.564 -7.604 -8.371 1.00 0.00 C ATOM 1437 CD GLU A 94 6.127 -8.471 -9.554 1.00 0.00 C ATOM 1438 OE1 GLU A 94 5.210 -9.294 -9.346 1.00 0.00 O ATOM 1439 OE2 GLU A 94 6.720 -8.290 -10.640 1.00 0.00 O ATOM 0 H GLU A 94 5.291 -6.531 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 94 7.593 -8.214 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.491 -9.206 -7.265 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.795 -8.971 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.827 -6.820 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.507 -7.110 -8.606 1.00 0.00 H new ATOM 1446 N GLY A 95 9.373 -6.846 -6.310 1.00 0.00 N ATOM 1447 CA GLY A 95 10.424 -5.912 -6.680 1.00 0.00 C ATOM 1448 C GLY A 95 10.678 -4.901 -5.561 1.00 0.00 C ATOM 1449 O GLY A 95 11.017 -5.280 -4.441 1.00 0.00 O ATOM 0 H GLY A 95 9.701 -7.776 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.342 -6.459 -6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.144 -5.387 -7.593 1.00 0.00 H new ATOM 1453 N GLU A 96 10.503 -3.632 -5.902 1.00 0.00 N ATOM 1454 CA GLU A 96 10.709 -2.563 -4.940 1.00 0.00 C ATOM 1455 C GLU A 96 9.700 -1.437 -5.174 1.00 0.00 C ATOM 1456 O GLU A 96 8.780 -1.580 -5.978 1.00 0.00 O ATOM 1457 CB GLU A 96 12.144 -2.036 -5.005 1.00 0.00 C ATOM 1458 CG GLU A 96 12.437 -1.409 -6.369 1.00 0.00 C ATOM 1459 CD GLU A 96 12.931 0.031 -6.216 1.00 0.00 C ATOM 1460 OE1 GLU A 96 12.556 0.654 -5.199 1.00 0.00 O ATOM 1461 OE2 GLU A 96 13.672 0.476 -7.119 1.00 0.00 O ATOM 0 H GLU A 96 10.221 -3.321 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 96 10.550 -2.965 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.299 -1.296 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.843 -2.851 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.188 -2.001 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.536 -1.425 -6.982 1.00 0.00 H new ATOM 1468 N ARG A 97 9.907 -0.342 -4.458 1.00 0.00 N ATOM 1469 CA ARG A 97 9.028 0.808 -4.577 1.00 0.00 C ATOM 1470 C ARG A 97 9.488 1.712 -5.723 1.00 0.00 C ATOM 1471 O ARG A 97 10.544 1.485 -6.311 1.00 0.00 O ATOM 1472 CB ARG A 97 9.000 1.618 -3.279 1.00 0.00 C ATOM 1473 CG ARG A 97 8.984 0.696 -2.058 1.00 0.00 C ATOM 1474 CD ARG A 97 7.958 1.169 -1.027 1.00 0.00 C ATOM 1475 NE ARG A 97 8.551 1.135 0.329 1.00 0.00 N ATOM 1476 CZ ARG A 97 9.432 2.034 0.787 1.00 0.00 C ATOM 1477 NH1 ARG A 97 9.829 3.044 0.000 1.00 0.00 N ATOM 1478 NH2 ARG A 97 9.917 1.924 2.031 1.00 0.00 N ATOM 0 H ARG A 97 10.672 -0.227 -3.793 1.00 0.00 H new ATOM 0 HA ARG A 97 8.024 0.437 -4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.872 2.271 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.119 2.260 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.749 -0.322 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.975 0.670 -1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.631 2.181 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.074 0.532 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 97 8.271 0.379 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 97 9.460 3.128 -0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.500 3.729 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.615 1.155 2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 97 10.588 2.609 2.379 1.00 0.00 H new ATOM 1492 N THR A 98 8.671 2.716 -6.006 1.00 0.00 N ATOM 1493 CA THR A 98 8.981 3.654 -7.072 1.00 0.00 C ATOM 1494 C THR A 98 9.540 4.955 -6.491 1.00 0.00 C ATOM 1495 O THR A 98 9.861 5.023 -5.306 1.00 0.00 O ATOM 1496 CB THR A 98 7.715 3.856 -7.907 1.00 0.00 C ATOM 1497 OG1 THR A 98 6.663 3.867 -6.946 1.00 0.00 O ATOM 1498 CG2 THR A 98 7.399 2.649 -8.792 1.00 0.00 C ATOM 0 H THR A 98 7.796 2.900 -5.516 1.00 0.00 H new ATOM 0 HA THR A 98 9.761 3.265 -7.727 1.00 0.00 H new ATOM 0 HB THR A 98 7.829 4.743 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.544 2.965 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.492 2.844 -9.363 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.228 2.473 -9.477 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.252 1.768 -8.167 1.00 0.00 H new