USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 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 46 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00493 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.00321 K(o=-0.0032,f=-1) USER MOD Single : A 59 SER OG : rot -163:sc= 1.28 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -35:sc= 0.452 USER MOD Single : A 75 SER OG : rot 159:sc= 1.51 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc=-5.43e-05 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= -0.1 (180deg=-1.51!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 3.963 -27.188 6.507 1.00 0.00 N ATOM 88 CA PHE A 38 2.733 -26.415 6.276 1.00 0.00 C ATOM 89 C PHE A 38 2.415 -25.374 7.367 1.00 0.00 C ATOM 90 O PHE A 38 1.520 -24.546 7.180 1.00 0.00 O ATOM 91 CB PHE A 38 1.552 -27.381 6.105 1.00 0.00 C ATOM 92 CG PHE A 38 1.521 -28.066 4.755 1.00 0.00 C ATOM 93 CD1 PHE A 38 1.101 -27.341 3.623 1.00 0.00 C ATOM 94 CD2 PHE A 38 1.909 -29.413 4.619 1.00 0.00 C ATOM 95 CE1 PHE A 38 1.071 -27.957 2.360 1.00 0.00 C ATOM 96 CE2 PHE A 38 1.877 -30.030 3.355 1.00 0.00 C ATOM 97 CZ PHE A 38 1.461 -29.301 2.227 1.00 0.00 C ATOM 0 HA PHE A 38 2.901 -25.837 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.597 -28.139 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.621 -26.832 6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.801 -26.309 3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.231 -29.972 5.485 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.749 -27.399 1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.172 -31.064 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.441 -29.774 1.257 1.00 0.00 H new ATOM 107 N ASP A 39 3.163 -25.381 8.477 1.00 0.00 N ATOM 108 CA ASP A 39 3.088 -24.397 9.556 1.00 0.00 C ATOM 109 C ASP A 39 3.206 -22.956 9.029 1.00 0.00 C ATOM 110 O ASP A 39 2.512 -22.070 9.530 1.00 0.00 O ATOM 111 CB ASP A 39 4.187 -24.680 10.597 1.00 0.00 C ATOM 112 CG ASP A 39 4.165 -26.116 11.142 1.00 0.00 C ATOM 113 OD1 ASP A 39 3.053 -26.601 11.461 1.00 0.00 O ATOM 114 OD2 ASP A 39 5.259 -26.735 11.158 1.00 0.00 O ATOM 0 H ASP A 39 3.863 -26.102 8.652 1.00 0.00 H new ATOM 0 HA ASP A 39 2.109 -24.490 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.161 -24.486 10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.076 -23.983 11.428 1.00 0.00 H new ATOM 119 N GLU A 40 4.015 -22.728 7.980 1.00 0.00 N ATOM 120 CA GLU A 40 4.163 -21.409 7.348 1.00 0.00 C ATOM 121 C GLU A 40 2.832 -20.903 6.772 1.00 0.00 C ATOM 122 O GLU A 40 2.430 -19.765 7.024 1.00 0.00 O ATOM 123 CB GLU A 40 5.213 -21.432 6.221 1.00 0.00 C ATOM 124 CG GLU A 40 6.557 -22.063 6.598 1.00 0.00 C ATOM 125 CD GLU A 40 7.731 -21.282 5.993 1.00 0.00 C ATOM 126 OE1 GLU A 40 7.904 -21.354 4.754 1.00 0.00 O ATOM 127 OE2 GLU A 40 8.432 -20.601 6.775 1.00 0.00 O ATOM 0 H GLU A 40 4.585 -23.455 7.547 1.00 0.00 H new ATOM 0 HA GLU A 40 4.495 -20.732 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.800 -21.976 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.390 -20.409 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.656 -22.090 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.587 -23.095 6.250 1.00 0.00 H new ATOM 134 N LEU A 41 2.145 -21.766 6.011 1.00 0.00 N ATOM 135 CA LEU A 41 0.847 -21.489 5.400 1.00 0.00 C ATOM 136 C LEU A 41 -0.202 -21.270 6.485 1.00 0.00 C ATOM 137 O LEU A 41 -0.873 -20.242 6.488 1.00 0.00 O ATOM 138 CB LEU A 41 0.427 -22.641 4.465 1.00 0.00 C ATOM 139 CG LEU A 41 0.958 -22.580 3.020 1.00 0.00 C ATOM 140 CD1 LEU A 41 0.338 -21.429 2.218 1.00 0.00 C ATOM 141 CD2 LEU A 41 2.483 -22.481 2.941 1.00 0.00 C ATOM 0 H LEU A 41 2.491 -22.702 5.800 1.00 0.00 H new ATOM 0 HA LEU A 41 0.929 -20.582 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.756 -23.580 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.662 -22.671 4.428 1.00 0.00 H new ATOM 0 HG LEU A 41 0.655 -23.528 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.745 -21.430 1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.744 -21.557 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.571 -20.481 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.791 -22.442 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.816 -21.577 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.929 -23.353 3.419 1.00 0.00 H new ATOM 153 N GLN A 42 -0.323 -22.217 7.422 1.00 0.00 N ATOM 154 CA GLN A 42 -1.262 -22.115 8.539 1.00 0.00 C ATOM 155 C GLN A 42 -1.020 -20.829 9.348 1.00 0.00 C ATOM 156 O GLN A 42 -1.979 -20.173 9.744 1.00 0.00 O ATOM 157 CB GLN A 42 -1.153 -23.359 9.432 1.00 0.00 C ATOM 158 CG GLN A 42 -1.496 -24.675 8.708 1.00 0.00 C ATOM 159 CD GLN A 42 -2.939 -25.114 8.939 1.00 0.00 C ATOM 160 OE1 GLN A 42 -3.888 -24.465 8.524 1.00 0.00 O ATOM 161 NE2 GLN A 42 -3.151 -26.226 9.618 1.00 0.00 N ATOM 0 H GLN A 42 0.229 -23.075 7.425 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.275 -22.064 8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.139 -23.425 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.819 -23.241 10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.324 -24.552 7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.822 -25.460 9.051 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.361 -26.770 9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.105 -26.541 9.795 1.00 0.00 H new ATOM 170 N GLY A 43 0.241 -20.416 9.532 1.00 0.00 N ATOM 171 CA GLY A 43 0.614 -19.164 10.188 1.00 0.00 C ATOM 172 C GLY A 43 0.178 -17.920 9.411 1.00 0.00 C ATOM 173 O GLY A 43 -0.445 -17.032 9.995 1.00 0.00 O ATOM 0 H GLY A 43 1.046 -20.959 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.169 -19.137 11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.696 -19.140 10.321 1.00 0.00 H new ATOM 177 N LEU A 44 0.458 -17.854 8.099 1.00 0.00 N ATOM 178 CA LEU A 44 0.082 -16.691 7.282 1.00 0.00 C ATOM 179 C LEU A 44 -1.435 -16.414 7.334 1.00 0.00 C ATOM 180 O LEU A 44 -1.869 -15.261 7.388 1.00 0.00 O ATOM 181 CB LEU A 44 0.647 -16.814 5.847 1.00 0.00 C ATOM 182 CG LEU A 44 -0.284 -17.447 4.784 1.00 0.00 C ATOM 183 CD1 LEU A 44 -1.255 -16.444 4.152 1.00 0.00 C ATOM 184 CD2 LEU A 44 0.499 -18.097 3.650 1.00 0.00 C ATOM 0 H LEU A 44 0.942 -18.590 7.584 1.00 0.00 H new ATOM 0 HA LEU A 44 0.546 -15.805 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.926 -15.817 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.563 -17.404 5.891 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.851 -18.196 5.337 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.877 -16.954 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.889 -16.013 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.691 -15.651 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.195 -18.528 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.116 -17.346 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.138 -18.883 4.053 1.00 0.00 H new ATOM 196 N VAL A 45 -2.252 -17.475 7.330 1.00 0.00 N ATOM 197 CA VAL A 45 -3.715 -17.366 7.402 1.00 0.00 C ATOM 198 C VAL A 45 -4.230 -17.201 8.837 1.00 0.00 C ATOM 199 O VAL A 45 -5.290 -16.603 9.028 1.00 0.00 O ATOM 200 CB VAL A 45 -4.380 -18.548 6.673 1.00 0.00 C ATOM 201 CG1 VAL A 45 -4.141 -19.888 7.373 1.00 0.00 C ATOM 202 CG2 VAL A 45 -5.889 -18.340 6.483 1.00 0.00 C ATOM 0 H VAL A 45 -1.916 -18.437 7.277 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.000 -16.449 6.886 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.901 -18.582 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.633 -20.684 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.070 -20.087 7.421 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.549 -19.849 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.312 -19.200 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.367 -18.232 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.061 -17.440 5.893 1.00 0.00 H new ATOM 212 N ASN A 46 -3.474 -17.657 9.847 1.00 0.00 N ATOM 213 CA ASN A 46 -3.811 -17.489 11.261 1.00 0.00 C ATOM 214 C ASN A 46 -3.987 -16.005 11.620 1.00 0.00 C ATOM 215 O ASN A 46 -5.002 -15.639 12.216 1.00 0.00 O ATOM 216 CB ASN A 46 -2.736 -18.167 12.134 1.00 0.00 C ATOM 217 CG ASN A 46 -3.076 -18.133 13.612 1.00 0.00 C ATOM 218 OD1 ASN A 46 -2.850 -17.154 14.305 1.00 0.00 O ATOM 219 ND2 ASN A 46 -3.619 -19.210 14.144 1.00 0.00 N ATOM 0 H ASN A 46 -2.599 -18.160 9.698 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.768 -17.973 11.457 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.616 -19.203 11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.778 -17.672 11.974 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.851 -19.227 15.137 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.807 -20.027 13.563 1.00 0.00 H new ATOM 226 N SER A 47 -3.008 -15.164 11.248 1.00 0.00 N ATOM 227 CA SER A 47 -2.992 -13.730 11.578 1.00 0.00 C ATOM 228 C SER A 47 -1.908 -12.938 10.822 1.00 0.00 C ATOM 229 O SER A 47 -1.145 -12.164 11.405 1.00 0.00 O ATOM 230 CB SER A 47 -2.859 -13.534 13.098 1.00 0.00 C ATOM 231 OG SER A 47 -1.650 -14.087 13.584 1.00 0.00 O ATOM 0 H SER A 47 -2.198 -15.463 10.705 1.00 0.00 H new ATOM 0 HA SER A 47 -3.946 -13.322 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.896 -12.471 13.334 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.704 -14.002 13.603 1.00 0.00 H new ATOM 0 HG SER A 47 -1.592 -13.946 14.552 1.00 0.00 H new ATOM 237 N THR A 48 -1.816 -13.103 9.498 1.00 0.00 N ATOM 238 CA THR A 48 -0.854 -12.342 8.677 1.00 0.00 C ATOM 239 C THR A 48 -1.535 -11.756 7.445 1.00 0.00 C ATOM 240 O THR A 48 -1.581 -10.536 7.304 1.00 0.00 O ATOM 241 CB THR A 48 0.373 -13.193 8.308 1.00 0.00 C ATOM 242 OG1 THR A 48 0.825 -13.935 9.420 1.00 0.00 O ATOM 243 CG2 THR A 48 1.563 -12.361 7.844 1.00 0.00 C ATOM 0 H THR A 48 -2.394 -13.755 8.968 1.00 0.00 H new ATOM 0 HA THR A 48 -0.488 -11.508 9.276 1.00 0.00 H new ATOM 0 HB THR A 48 0.033 -13.836 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.605 -14.470 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.395 -13.021 7.599 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.283 -11.787 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.863 -11.679 8.640 1.00 0.00 H new ATOM 251 N VAL A 49 -2.124 -12.600 6.587 1.00 0.00 N ATOM 252 CA VAL A 49 -2.837 -12.151 5.385 1.00 0.00 C ATOM 253 C VAL A 49 -4.069 -11.323 5.745 1.00 0.00 C ATOM 254 O VAL A 49 -4.317 -10.301 5.116 1.00 0.00 O ATOM 255 CB VAL A 49 -3.194 -13.339 4.465 1.00 0.00 C ATOM 256 CG1 VAL A 49 -4.545 -14.014 4.751 1.00 0.00 C ATOM 257 CG2 VAL A 49 -3.124 -12.919 2.992 1.00 0.00 C ATOM 0 H VAL A 49 -2.119 -13.613 6.707 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.164 -11.501 4.826 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.441 -14.094 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.698 -14.834 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.549 -14.402 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.347 -13.285 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.379 -13.769 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.829 -12.108 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.114 -12.581 2.757 1.00 0.00 H new ATOM 267 N THR A 50 -4.810 -11.732 6.788 1.00 0.00 N ATOM 268 CA THR A 50 -6.035 -11.054 7.227 1.00 0.00 C ATOM 269 C THR A 50 -5.746 -9.626 7.687 1.00 0.00 C ATOM 270 O THR A 50 -6.582 -8.748 7.496 1.00 0.00 O ATOM 271 CB THR A 50 -6.766 -11.848 8.325 1.00 0.00 C ATOM 272 OG1 THR A 50 -8.070 -11.337 8.484 1.00 0.00 O ATOM 273 CG2 THR A 50 -6.078 -11.808 9.691 1.00 0.00 C ATOM 0 H THR A 50 -4.572 -12.548 7.352 1.00 0.00 H new ATOM 0 HA THR A 50 -6.698 -11.002 6.364 1.00 0.00 H new ATOM 0 HB THR A 50 -6.765 -12.885 7.990 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.537 -11.843 9.182 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.657 -12.391 10.407 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.076 -12.228 9.606 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.011 -10.776 10.034 1.00 0.00 H new ATOM 281 N GLN A 51 -4.565 -9.391 8.272 1.00 0.00 N ATOM 282 CA GLN A 51 -4.161 -8.084 8.771 1.00 0.00 C ATOM 283 C GLN A 51 -3.893 -7.100 7.622 1.00 0.00 C ATOM 284 O GLN A 51 -4.156 -5.907 7.770 1.00 0.00 O ATOM 285 CB GLN A 51 -2.928 -8.232 9.681 1.00 0.00 C ATOM 286 CG GLN A 51 -2.943 -7.224 10.848 1.00 0.00 C ATOM 287 CD GLN A 51 -3.827 -7.650 12.030 1.00 0.00 C ATOM 288 OE1 GLN A 51 -4.195 -8.804 12.190 1.00 0.00 O ATOM 289 NE2 GLN A 51 -4.188 -6.729 12.907 1.00 0.00 N ATOM 0 H GLN A 51 -3.860 -10.115 8.411 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.981 -7.669 9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.892 -9.246 10.079 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.023 -8.089 9.091 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.923 -7.080 11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.290 -6.260 10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.887 -5.762 12.784 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.767 -6.985 13.706 1.00 0.00 H new ATOM 298 N ALA A 52 -3.429 -7.606 6.470 1.00 0.00 N ATOM 299 CA ALA A 52 -3.098 -6.812 5.290 1.00 0.00 C ATOM 300 C ALA A 52 -4.315 -6.045 4.749 1.00 0.00 C ATOM 301 O ALA A 52 -4.215 -4.844 4.485 1.00 0.00 O ATOM 302 CB ALA A 52 -2.510 -7.739 4.218 1.00 0.00 C ATOM 0 H ALA A 52 -3.271 -8.605 6.335 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.361 -6.060 5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.259 -7.157 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.610 -8.218 4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.243 -8.502 3.955 1.00 0.00 H new ATOM 308 N ILE A 53 -5.463 -6.732 4.619 1.00 0.00 N ATOM 309 CA ILE A 53 -6.734 -6.134 4.183 1.00 0.00 C ATOM 310 C ILE A 53 -7.130 -5.001 5.138 1.00 0.00 C ATOM 311 O ILE A 53 -7.374 -3.881 4.693 1.00 0.00 O ATOM 312 CB ILE A 53 -7.866 -7.188 4.063 1.00 0.00 C ATOM 313 CG1 ILE A 53 -7.463 -8.394 3.176 1.00 0.00 C ATOM 314 CG2 ILE A 53 -9.138 -6.552 3.476 1.00 0.00 C ATOM 315 CD1 ILE A 53 -7.199 -9.643 4.018 1.00 0.00 C ATOM 0 H ILE A 53 -5.534 -7.730 4.816 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.587 -5.722 3.185 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.054 -7.551 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.256 -8.599 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.570 -8.144 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.920 -7.307 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.475 -5.745 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.921 -6.153 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.919 -10.470 3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.389 -9.444 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.101 -9.907 4.570 1.00 0.00 H new ATOM 327 N LEU A 54 -7.154 -5.285 6.449 1.00 0.00 N ATOM 328 CA LEU A 54 -7.513 -4.324 7.497 1.00 0.00 C ATOM 329 C LEU A 54 -6.617 -3.086 7.414 1.00 0.00 C ATOM 330 O LEU A 54 -7.130 -1.969 7.332 1.00 0.00 O ATOM 331 CB LEU A 54 -7.394 -4.951 8.903 1.00 0.00 C ATOM 332 CG LEU A 54 -8.139 -6.283 9.112 1.00 0.00 C ATOM 333 CD1 LEU A 54 -7.570 -7.037 10.324 1.00 0.00 C ATOM 334 CD2 LEU A 54 -9.661 -6.110 9.236 1.00 0.00 C ATOM 0 H LEU A 54 -6.919 -6.208 6.815 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.551 -4.035 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.338 -5.110 9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.765 -4.231 9.633 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.972 -6.878 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.109 -7.975 10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.513 -7.246 10.159 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.683 -6.425 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.127 -7.084 9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.886 -5.469 10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.051 -5.654 8.326 1.00 0.00 H new ATOM 346 N PHE A 55 -5.291 -3.298 7.411 1.00 0.00 N ATOM 347 CA PHE A 55 -4.279 -2.247 7.329 1.00 0.00 C ATOM 348 C PHE A 55 -4.483 -1.374 6.092 1.00 0.00 C ATOM 349 O PHE A 55 -4.556 -0.153 6.223 1.00 0.00 O ATOM 350 CB PHE A 55 -2.868 -2.850 7.360 1.00 0.00 C ATOM 351 CG PHE A 55 -1.807 -1.834 7.734 1.00 0.00 C ATOM 352 CD1 PHE A 55 -1.490 -1.628 9.090 1.00 0.00 C ATOM 353 CD2 PHE A 55 -1.148 -1.081 6.742 1.00 0.00 C ATOM 354 CE1 PHE A 55 -0.517 -0.682 9.457 1.00 0.00 C ATOM 355 CE2 PHE A 55 -0.175 -0.134 7.109 1.00 0.00 C ATOM 356 CZ PHE A 55 0.142 0.065 8.465 1.00 0.00 C ATOM 0 H PHE A 55 -4.888 -4.233 7.467 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.390 -1.604 8.202 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.845 -3.673 8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.635 -3.270 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.997 -2.200 9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.390 -1.231 5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.276 -0.529 10.499 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.330 0.442 6.348 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.891 0.791 8.744 1.00 0.00 H new ATOM 366 N GLY A 56 -4.633 -1.992 4.912 1.00 0.00 N ATOM 367 CA GLY A 56 -4.947 -1.291 3.671 1.00 0.00 C ATOM 368 C GLY A 56 -6.202 -0.422 3.792 1.00 0.00 C ATOM 369 O GLY A 56 -6.149 0.759 3.457 1.00 0.00 O ATOM 0 H GLY A 56 -4.538 -3.001 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.101 -0.665 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.088 -2.019 2.872 1.00 0.00 H new ATOM 373 N VAL A 57 -7.310 -0.972 4.310 1.00 0.00 N ATOM 374 CA VAL A 57 -8.591 -0.255 4.470 1.00 0.00 C ATOM 375 C VAL A 57 -8.431 0.998 5.334 1.00 0.00 C ATOM 376 O VAL A 57 -8.696 2.109 4.862 1.00 0.00 O ATOM 377 CB VAL A 57 -9.685 -1.170 5.064 1.00 0.00 C ATOM 378 CG1 VAL A 57 -10.979 -0.389 5.344 1.00 0.00 C ATOM 379 CG2 VAL A 57 -10.019 -2.359 4.150 1.00 0.00 C ATOM 0 H VAL A 57 -7.346 -1.938 4.634 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.904 0.052 3.472 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.274 -1.553 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.728 -1.063 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.774 0.411 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.354 0.039 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.793 -2.969 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.377 -1.990 3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.124 -2.963 3.997 1.00 0.00 H new ATOM 389 N ARG A 58 -8.006 0.821 6.597 1.00 0.00 N ATOM 390 CA ARG A 58 -7.794 1.944 7.521 1.00 0.00 C ATOM 391 C ARG A 58 -6.805 2.950 6.937 1.00 0.00 C ATOM 392 O ARG A 58 -7.056 4.144 7.034 1.00 0.00 O ATOM 393 CB ARG A 58 -7.384 1.472 8.930 1.00 0.00 C ATOM 394 CG ARG A 58 -6.030 0.747 8.964 1.00 0.00 C ATOM 395 CD ARG A 58 -5.666 0.185 10.337 1.00 0.00 C ATOM 396 NE ARG A 58 -4.759 1.090 11.064 1.00 0.00 N ATOM 397 CZ ARG A 58 -4.134 0.831 12.206 1.00 0.00 C ATOM 398 NH1 ARG A 58 -4.268 -0.323 12.818 1.00 0.00 N ATOM 399 NH2 ARG A 58 -3.359 1.728 12.766 1.00 0.00 N ATOM 0 H ARG A 58 -7.802 -0.093 7.000 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.749 2.455 7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.342 2.334 9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.154 0.806 9.320 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.047 -0.068 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.250 1.439 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.573 0.030 10.921 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.193 -0.790 10.219 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.595 2.007 10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.864 -1.047 12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.776 -0.495 13.695 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.230 2.638 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.885 1.516 13.644 1.00 0.00 H new ATOM 413 N SER A 59 -5.731 2.471 6.294 1.00 0.00 N ATOM 414 CA SER A 59 -4.733 3.303 5.627 1.00 0.00 C ATOM 415 C SER A 59 -5.361 4.151 4.526 1.00 0.00 C ATOM 416 O SER A 59 -5.174 5.360 4.545 1.00 0.00 O ATOM 417 CB SER A 59 -3.598 2.436 5.074 1.00 0.00 C ATOM 418 OG SER A 59 -2.725 3.210 4.283 1.00 0.00 O ATOM 0 H SER A 59 -5.532 1.473 6.225 1.00 0.00 H new ATOM 0 HA SER A 59 -4.315 3.987 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.046 1.981 5.897 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.011 1.622 4.479 1.00 0.00 H new ATOM 0 HG SER A 59 -2.181 2.619 3.722 1.00 0.00 H new ATOM 424 N GLY A 60 -6.139 3.559 3.613 1.00 0.00 N ATOM 425 CA GLY A 60 -6.824 4.273 2.539 1.00 0.00 C ATOM 426 C GLY A 60 -7.730 5.391 3.050 1.00 0.00 C ATOM 427 O GLY A 60 -7.601 6.542 2.626 1.00 0.00 O ATOM 0 H GLY A 60 -6.311 2.554 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.083 4.695 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.419 3.566 1.962 1.00 0.00 H new ATOM 431 N ALA A 61 -8.636 5.055 3.976 1.00 0.00 N ATOM 432 CA ALA A 61 -9.566 6.023 4.548 1.00 0.00 C ATOM 433 C ALA A 61 -8.839 7.110 5.356 1.00 0.00 C ATOM 434 O ALA A 61 -9.094 8.300 5.148 1.00 0.00 O ATOM 435 CB ALA A 61 -10.608 5.288 5.400 1.00 0.00 C ATOM 0 H ALA A 61 -8.741 4.110 4.345 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.075 6.538 3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.303 6.010 5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.156 4.582 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.106 4.748 6.203 1.00 0.00 H new ATOM 441 N ALA A 62 -7.925 6.714 6.257 1.00 0.00 N ATOM 442 CA ALA A 62 -7.111 7.638 7.044 1.00 0.00 C ATOM 443 C ALA A 62 -6.241 8.535 6.148 1.00 0.00 C ATOM 444 O ALA A 62 -6.130 9.728 6.414 1.00 0.00 O ATOM 445 CB ALA A 62 -6.268 6.873 8.067 1.00 0.00 C ATOM 0 H ALA A 62 -7.733 5.732 6.457 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.785 8.299 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.668 7.577 8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.924 6.320 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.610 6.176 7.548 1.00 0.00 H new ATOM 451 N ALA A 63 -5.674 8.003 5.060 1.00 0.00 N ATOM 452 CA ALA A 63 -4.924 8.777 4.077 1.00 0.00 C ATOM 453 C ALA A 63 -5.810 9.815 3.385 1.00 0.00 C ATOM 454 O ALA A 63 -5.462 10.993 3.387 1.00 0.00 O ATOM 455 CB ALA A 63 -4.234 7.847 3.074 1.00 0.00 C ATOM 0 H ALA A 63 -5.726 7.009 4.839 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.146 9.333 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.679 8.442 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.547 7.187 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.984 7.250 2.556 1.00 0.00 H new ATOM 461 N LEU A 64 -6.968 9.411 2.845 1.00 0.00 N ATOM 462 CA LEU A 64 -7.924 10.326 2.215 1.00 0.00 C ATOM 463 C LEU A 64 -8.260 11.518 3.120 1.00 0.00 C ATOM 464 O LEU A 64 -8.118 12.664 2.685 1.00 0.00 O ATOM 465 CB LEU A 64 -9.164 9.536 1.770 1.00 0.00 C ATOM 466 CG LEU A 64 -10.349 10.417 1.305 1.00 0.00 C ATOM 467 CD1 LEU A 64 -10.965 9.850 0.026 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.431 10.524 2.391 1.00 0.00 C ATOM 0 H LEU A 64 -7.267 8.436 2.834 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.469 10.765 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.882 8.868 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.496 8.908 2.597 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.957 11.415 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.797 10.481 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.211 9.825 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.327 8.839 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.248 11.150 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.812 9.530 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.002 10.969 3.289 1.00 0.00 H new ATOM 480 N THR A 65 -8.668 11.256 4.372 1.00 0.00 N ATOM 481 CA THR A 65 -8.964 12.334 5.327 1.00 0.00 C ATOM 482 C THR A 65 -7.732 13.206 5.613 1.00 0.00 C ATOM 483 O THR A 65 -7.879 14.425 5.657 1.00 0.00 O ATOM 484 CB THR A 65 -9.643 11.830 6.609 1.00 0.00 C ATOM 485 OG1 THR A 65 -10.026 12.912 7.420 1.00 0.00 O ATOM 486 CG2 THR A 65 -8.772 10.923 7.459 1.00 0.00 C ATOM 0 H THR A 65 -8.799 10.315 4.744 1.00 0.00 H new ATOM 0 HA THR A 65 -9.697 12.979 4.842 1.00 0.00 H new ATOM 0 HB THR A 65 -10.500 11.253 6.261 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.459 12.575 8.232 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.326 10.612 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.489 10.044 6.880 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.874 11.461 7.763 1.00 0.00 H new ATOM 494 N LEU A 66 -6.521 12.626 5.717 1.00 0.00 N ATOM 495 CA LEU A 66 -5.265 13.375 5.904 1.00 0.00 C ATOM 496 C LEU A 66 -4.942 14.280 4.697 1.00 0.00 C ATOM 497 O LEU A 66 -4.409 15.373 4.870 1.00 0.00 O ATOM 498 CB LEU A 66 -4.102 12.427 6.307 1.00 0.00 C ATOM 499 CG LEU A 66 -2.937 12.263 5.303 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.949 13.442 5.385 1.00 0.00 C ATOM 501 CD2 LEU A 66 -2.190 10.930 5.474 1.00 0.00 C ATOM 0 H LEU A 66 -6.387 11.616 5.673 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.402 14.060 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.687 12.785 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.523 11.440 6.499 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.392 12.258 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.144 13.293 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.471 14.371 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.532 13.498 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.383 10.869 4.744 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.774 10.872 6.480 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.882 10.102 5.320 1.00 0.00 H new ATOM 513 N ILE A 67 -5.282 13.859 3.476 1.00 0.00 N ATOM 514 CA ILE A 67 -5.011 14.637 2.264 1.00 0.00 C ATOM 515 C ILE A 67 -5.928 15.856 2.220 1.00 0.00 C ATOM 516 O ILE A 67 -5.444 16.984 2.129 1.00 0.00 O ATOM 517 CB ILE A 67 -5.168 13.759 1.010 1.00 0.00 C ATOM 518 CG1 ILE A 67 -4.111 12.640 1.010 1.00 0.00 C ATOM 519 CG2 ILE A 67 -5.011 14.572 -0.288 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.600 11.389 0.281 1.00 0.00 C ATOM 0 H ILE A 67 -5.752 12.971 3.300 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.979 14.989 2.283 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.174 13.339 1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.199 13.003 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.855 12.383 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.129 13.912 -1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.771 15.353 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.021 15.028 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.822 10.626 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.497 11.009 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.831 11.638 -0.755 1.00 0.00 H new ATOM 532 N VAL A 68 -7.249 15.637 2.304 1.00 0.00 N ATOM 533 CA VAL A 68 -8.234 16.727 2.234 1.00 0.00 C ATOM 534 C VAL A 68 -7.956 17.794 3.298 1.00 0.00 C ATOM 535 O VAL A 68 -7.908 18.976 2.950 1.00 0.00 O ATOM 536 CB VAL A 68 -9.694 16.224 2.285 1.00 0.00 C ATOM 537 CG1 VAL A 68 -10.026 15.330 1.074 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.029 15.470 3.574 1.00 0.00 C ATOM 0 H VAL A 68 -7.661 14.711 2.421 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.116 17.194 1.256 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.309 17.124 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.061 14.994 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.889 15.898 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.363 14.465 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.069 15.144 3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.379 14.600 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.878 16.128 4.430 1.00 0.00 H new ATOM 548 N VAL A 69 -7.701 17.383 4.555 1.00 0.00 N ATOM 549 CA VAL A 69 -7.318 18.285 5.652 1.00 0.00 C ATOM 550 C VAL A 69 -6.019 19.028 5.334 1.00 0.00 C ATOM 551 O VAL A 69 -5.983 20.242 5.499 1.00 0.00 O ATOM 552 CB VAL A 69 -7.290 17.593 7.031 1.00 0.00 C ATOM 553 CG1 VAL A 69 -6.239 16.503 7.145 1.00 0.00 C ATOM 554 CG2 VAL A 69 -7.037 18.576 8.178 1.00 0.00 C ATOM 0 H VAL A 69 -7.756 16.405 4.838 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.107 19.033 5.730 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.283 17.152 7.113 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.279 16.062 8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.432 15.732 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.251 16.931 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.027 18.036 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.075 19.067 8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.828 19.326 8.196 1.00 0.00 H new ATOM 564 N TRP A 70 -4.972 18.356 4.826 1.00 0.00 N ATOM 565 CA TRP A 70 -3.714 19.022 4.459 1.00 0.00 C ATOM 566 C TRP A 70 -3.894 20.103 3.397 1.00 0.00 C ATOM 567 O TRP A 70 -3.216 21.127 3.480 1.00 0.00 O ATOM 568 CB TRP A 70 -2.652 18.008 4.005 1.00 0.00 C ATOM 569 CG TRP A 70 -1.564 17.726 4.998 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.270 17.508 4.672 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.618 17.684 6.462 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.477 17.338 5.821 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.302 17.439 6.954 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.623 17.889 7.431 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -0.007 17.384 8.325 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.349 17.817 8.809 1.00 0.00 C ATOM 577 CH2 TRP A 70 -1.041 17.568 9.259 1.00 0.00 C ATOM 0 H TRP A 70 -4.974 17.350 4.660 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.368 19.517 5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.151 17.070 3.762 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.195 18.374 3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 70 0.120 17.472 3.666 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.481 17.160 5.830 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.630 18.107 7.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.004 17.202 8.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.147 17.954 9.524 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.831 17.518 10.317 1.00 0.00 H new ATOM 588 N ILE A 71 -4.797 19.895 2.431 1.00 0.00 N ATOM 589 CA ILE A 71 -5.134 20.888 1.408 1.00 0.00 C ATOM 590 C ILE A 71 -5.917 22.047 2.036 1.00 0.00 C ATOM 591 O ILE A 71 -5.445 23.183 2.005 1.00 0.00 O ATOM 592 CB ILE A 71 -5.850 20.225 0.200 1.00 0.00 C ATOM 593 CG1 ILE A 71 -4.821 19.646 -0.803 1.00 0.00 C ATOM 594 CG2 ILE A 71 -6.738 21.224 -0.572 1.00 0.00 C ATOM 595 CD1 ILE A 71 -4.113 18.366 -0.349 1.00 0.00 C ATOM 0 H ILE A 71 -5.319 19.023 2.338 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.219 21.318 1.001 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.472 19.433 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.330 19.445 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.067 20.407 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.218 20.714 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.501 21.624 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.123 22.041 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.415 18.043 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.568 18.560 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.852 17.583 -0.178 1.00 0.00 H new ATOM 607 N THR A 72 -7.102 21.781 2.601 1.00 0.00 N ATOM 608 CA THR A 72 -8.000 22.826 3.127 1.00 0.00 C ATOM 609 C THR A 72 -7.385 23.599 4.299 1.00 0.00 C ATOM 610 O THR A 72 -7.419 24.828 4.307 1.00 0.00 O ATOM 611 CB THR A 72 -9.370 22.232 3.490 1.00 0.00 C ATOM 612 OG1 THR A 72 -10.285 23.251 3.821 1.00 0.00 O ATOM 613 CG2 THR A 72 -9.323 21.226 4.639 1.00 0.00 C ATOM 0 H THR A 72 -7.468 20.835 2.708 1.00 0.00 H new ATOM 0 HA THR A 72 -8.147 23.556 2.331 1.00 0.00 H new ATOM 0 HB THR A 72 -9.694 21.696 2.598 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.151 22.852 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.328 20.852 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.672 20.394 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.935 21.713 5.534 1.00 0.00 H new ATOM 621 N SER A 73 -6.757 22.895 5.252 1.00 0.00 N ATOM 622 CA SER A 73 -6.030 23.490 6.376 1.00 0.00 C ATOM 623 C SER A 73 -4.661 24.037 5.972 1.00 0.00 C ATOM 624 O SER A 73 -4.018 24.680 6.803 1.00 0.00 O ATOM 625 CB SER A 73 -5.821 22.456 7.488 1.00 0.00 C ATOM 626 OG SER A 73 -5.436 23.118 8.674 1.00 0.00 O ATOM 0 H SER A 73 -6.742 21.875 5.260 1.00 0.00 H new ATOM 0 HA SER A 73 -6.644 24.319 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.739 21.893 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.055 21.738 7.194 1.00 0.00 H new ATOM 0 HG SER A 73 -4.873 23.888 8.451 1.00 0.00 H new ATOM 632 N ARG A 74 -4.219 23.768 4.734 1.00 0.00 N ATOM 633 CA ARG A 74 -2.947 24.179 4.140 1.00 0.00 C ATOM 634 C ARG A 74 -1.782 24.014 5.112 1.00 0.00 C ATOM 635 O ARG A 74 -1.124 24.983 5.496 1.00 0.00 O ATOM 636 CB ARG A 74 -3.124 25.589 3.579 1.00 0.00 C ATOM 637 CG ARG A 74 -2.077 25.919 2.509 1.00 0.00 C ATOM 638 CD ARG A 74 -2.705 26.856 1.469 1.00 0.00 C ATOM 639 NE ARG A 74 -1.757 27.876 1.002 1.00 0.00 N ATOM 640 CZ ARG A 74 -1.420 28.970 1.673 1.00 0.00 C ATOM 641 NH1 ARG A 74 -1.824 29.186 2.906 1.00 0.00 N ATOM 642 NH2 ARG A 74 -0.665 29.880 1.111 1.00 0.00 N ATOM 0 H ARG A 74 -4.781 23.221 4.082 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.675 23.525 3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.122 25.686 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.053 26.313 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.208 26.392 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.727 25.005 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.055 26.271 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.578 27.344 1.902 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.324 27.732 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.416 28.501 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.546 30.038 3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.334 29.749 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.407 30.720 1.629 1.00 0.00 H new ATOM 656 N SER A 75 -1.577 22.761 5.522 1.00 0.00 N ATOM 657 CA SER A 75 -0.539 22.393 6.483 1.00 0.00 C ATOM 658 C SER A 75 0.859 22.802 6.018 1.00 0.00 C ATOM 659 O SER A 75 1.083 23.146 4.855 1.00 0.00 O ATOM 660 CB SER A 75 -0.609 20.895 6.792 1.00 0.00 C ATOM 661 OG SER A 75 -1.377 20.756 7.966 1.00 0.00 O ATOM 0 H SER A 75 -2.130 21.969 5.194 1.00 0.00 H new ATOM 0 HA SER A 75 -0.731 22.948 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.065 20.351 5.965 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.390 20.482 6.933 1.00 0.00 H new ATOM 0 HG SER A 75 -1.734 19.845 8.017 1.00 0.00 H new ATOM 667 N ARG A 76 1.818 22.756 6.952 1.00 0.00 N ATOM 668 CA ARG A 76 3.224 23.065 6.678 1.00 0.00 C ATOM 669 C ARG A 76 3.786 22.183 5.552 1.00 0.00 C ATOM 670 O ARG A 76 3.218 21.150 5.192 1.00 0.00 O ATOM 671 CB ARG A 76 4.055 22.900 7.965 1.00 0.00 C ATOM 672 CG ARG A 76 3.823 23.997 9.018 1.00 0.00 C ATOM 673 CD ARG A 76 4.430 25.342 8.585 1.00 0.00 C ATOM 674 NE ARG A 76 4.528 26.299 9.705 1.00 0.00 N ATOM 675 CZ ARG A 76 5.017 27.536 9.646 1.00 0.00 C ATOM 676 NH1 ARG A 76 5.429 28.067 8.519 1.00 0.00 N ATOM 677 NH2 ARG A 76 5.105 28.284 10.721 1.00 0.00 N ATOM 0 H ARG A 76 1.637 22.502 7.923 1.00 0.00 H new ATOM 0 HA ARG A 76 3.287 24.100 6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.824 21.932 8.410 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.112 22.885 7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.753 24.119 9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.262 23.689 9.967 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.422 25.172 8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.820 25.775 7.792 1.00 0.00 H new ATOM 0 HE ARG A 76 4.188 25.981 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.380 27.529 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.798 29.018 8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.796 27.920 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.483 29.229 10.655 1.00 0.00 H new ATOM 691 N LYS A 77 4.954 22.584 5.039 1.00 0.00 N ATOM 692 CA LYS A 77 5.690 21.862 4.002 1.00 0.00 C ATOM 693 C LYS A 77 5.853 20.391 4.374 1.00 0.00 C ATOM 694 O LYS A 77 6.457 20.049 5.389 1.00 0.00 O ATOM 695 CB LYS A 77 7.054 22.523 3.755 1.00 0.00 C ATOM 696 CG LYS A 77 6.962 23.631 2.693 1.00 0.00 C ATOM 697 CD LYS A 77 6.930 23.095 1.252 1.00 0.00 C ATOM 698 CE LYS A 77 8.277 22.464 0.874 1.00 0.00 C ATOM 699 NZ LYS A 77 8.473 22.424 -0.593 1.00 0.00 N ATOM 0 H LYS A 77 5.422 23.438 5.341 1.00 0.00 H new ATOM 0 HA LYS A 77 5.116 21.908 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.430 22.943 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.772 21.768 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.064 24.223 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.814 24.302 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.136 22.355 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.698 23.907 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.086 23.032 1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.330 21.452 1.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.394 21.991 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.715 21.861 -1.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.448 23.392 -0.973 1.00 0.00 H new ATOM 713 N THR A 78 5.291 19.535 3.528 1.00 0.00 N ATOM 714 CA THR A 78 5.332 18.087 3.678 1.00 0.00 C ATOM 715 C THR A 78 6.530 17.509 2.905 1.00 0.00 C ATOM 716 O THR A 78 6.813 17.968 1.794 1.00 0.00 O ATOM 717 CB THR A 78 3.992 17.497 3.231 1.00 0.00 C ATOM 718 OG1 THR A 78 3.967 16.125 3.536 1.00 0.00 O ATOM 719 CG2 THR A 78 3.688 17.707 1.747 1.00 0.00 C ATOM 0 H THR A 78 4.781 19.838 2.698 1.00 0.00 H new ATOM 0 HA THR A 78 5.477 17.815 4.724 1.00 0.00 H new ATOM 0 HB THR A 78 3.214 18.032 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.110 15.743 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.723 17.262 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.659 18.775 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.465 17.235 1.146 1.00 0.00 H new ATOM 727 N PRO A 79 7.264 16.530 3.467 1.00 0.00 N ATOM 728 CA PRO A 79 8.382 15.896 2.782 1.00 0.00 C ATOM 729 C PRO A 79 7.898 15.040 1.605 1.00 0.00 C ATOM 730 O PRO A 79 6.866 14.369 1.677 1.00 0.00 O ATOM 731 CB PRO A 79 9.095 15.059 3.852 1.00 0.00 C ATOM 732 CG PRO A 79 8.003 14.754 4.870 1.00 0.00 C ATOM 733 CD PRO A 79 7.088 15.972 4.797 1.00 0.00 C ATOM 0 HA PRO A 79 9.060 16.628 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.514 14.145 3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.920 15.609 4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.469 13.837 4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.414 14.622 5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.049 15.689 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.349 16.702 5.563 1.00 0.00 H new ATOM 849 N VAL A 86 1.871 8.366 0.406 1.00 0.00 N ATOM 850 CA VAL A 86 0.457 8.740 0.298 1.00 0.00 C ATOM 851 C VAL A 86 -0.086 8.347 -1.072 1.00 0.00 C ATOM 852 O VAL A 86 -0.906 7.439 -1.139 1.00 0.00 O ATOM 853 CB VAL A 86 0.217 10.235 0.595 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.242 10.625 0.321 1.00 0.00 C ATOM 855 CG2 VAL A 86 0.566 10.613 2.042 1.00 0.00 C ATOM 0 HA VAL A 86 -0.090 8.188 1.062 1.00 0.00 H new ATOM 0 HB VAL A 86 0.881 10.783 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.383 11.684 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.479 10.435 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.902 10.033 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.378 11.676 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.050 10.033 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.618 10.399 2.230 1.00 0.00 H new ATOM 865 N SER A 87 0.356 8.997 -2.159 1.00 0.00 N ATOM 866 CA SER A 87 -0.188 8.735 -3.499 1.00 0.00 C ATOM 867 C SER A 87 -0.137 7.245 -3.840 1.00 0.00 C ATOM 868 O SER A 87 -1.180 6.687 -4.181 1.00 0.00 O ATOM 869 CB SER A 87 0.509 9.578 -4.570 1.00 0.00 C ATOM 870 OG SER A 87 0.330 10.952 -4.276 1.00 0.00 O ATOM 0 H SER A 87 1.088 9.707 -2.136 1.00 0.00 H new ATOM 0 HA SER A 87 -1.236 9.034 -3.486 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.572 9.337 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.099 9.349 -5.553 1.00 0.00 H new ATOM 0 HG SER A 87 0.777 11.494 -4.960 1.00 0.00 H new ATOM 876 N LEU A 88 1.022 6.589 -3.661 1.00 0.00 N ATOM 877 CA LEU A 88 1.172 5.140 -3.846 1.00 0.00 C ATOM 878 C LEU A 88 0.059 4.349 -3.149 1.00 0.00 C ATOM 879 O LEU A 88 -0.594 3.530 -3.797 1.00 0.00 O ATOM 880 CB LEU A 88 2.565 4.681 -3.366 1.00 0.00 C ATOM 881 CG LEU A 88 3.658 4.881 -4.434 1.00 0.00 C ATOM 882 CD1 LEU A 88 5.058 4.777 -3.815 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.519 3.855 -5.574 1.00 0.00 C ATOM 0 H LEU A 88 1.886 7.055 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 88 1.083 4.933 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.836 5.235 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.521 3.627 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 88 3.527 5.881 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.810 4.922 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.175 5.543 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.185 3.792 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.304 4.022 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.610 2.847 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.545 3.969 -6.049 1.00 0.00 H new ATOM 895 N PHE A 89 -0.207 4.630 -1.866 1.00 0.00 N ATOM 896 CA PHE A 89 -1.294 3.998 -1.120 1.00 0.00 C ATOM 897 C PHE A 89 -2.648 4.114 -1.831 1.00 0.00 C ATOM 898 O PHE A 89 -3.308 3.097 -2.035 1.00 0.00 O ATOM 899 CB PHE A 89 -1.368 4.540 0.321 1.00 0.00 C ATOM 900 CG PHE A 89 -0.817 3.589 1.363 1.00 0.00 C ATOM 901 CD1 PHE A 89 -1.352 2.291 1.471 1.00 0.00 C ATOM 902 CD2 PHE A 89 0.210 3.998 2.237 1.00 0.00 C ATOM 903 CE1 PHE A 89 -0.856 1.401 2.438 1.00 0.00 C ATOM 904 CE2 PHE A 89 0.700 3.111 3.211 1.00 0.00 C ATOM 905 CZ PHE A 89 0.167 1.812 3.309 1.00 0.00 C ATOM 0 H PHE A 89 0.329 5.304 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.062 2.934 -1.072 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.818 5.480 0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.407 4.765 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.146 1.979 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.621 4.994 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.260 0.402 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.484 3.426 3.883 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.545 1.129 4.056 1.00 0.00 H new ATOM 915 N LEU A 90 -3.063 5.323 -2.236 1.00 0.00 N ATOM 916 CA LEU A 90 -4.359 5.537 -2.898 1.00 0.00 C ATOM 917 C LEU A 90 -4.513 4.668 -4.153 1.00 0.00 C ATOM 918 O LEU A 90 -5.565 4.052 -4.345 1.00 0.00 O ATOM 919 CB LEU A 90 -4.572 7.015 -3.281 1.00 0.00 C ATOM 920 CG LEU A 90 -4.901 8.006 -2.151 1.00 0.00 C ATOM 921 CD1 LEU A 90 -6.051 7.563 -1.245 1.00 0.00 C ATOM 922 CD2 LEU A 90 -3.687 8.289 -1.288 1.00 0.00 C ATOM 0 H LEU A 90 -2.515 6.175 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.117 5.246 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.669 7.365 -3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.380 7.059 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.219 8.911 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.219 8.316 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.957 7.443 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.798 6.613 -0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.957 8.993 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.335 7.360 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.896 8.718 -1.903 1.00 0.00 H new ATOM 934 N ILE A 91 -3.469 4.599 -4.992 1.00 0.00 N ATOM 935 CA ILE A 91 -3.476 3.715 -6.162 1.00 0.00 C ATOM 936 C ILE A 91 -3.600 2.248 -5.743 1.00 0.00 C ATOM 937 O ILE A 91 -4.444 1.546 -6.297 1.00 0.00 O ATOM 938 CB ILE A 91 -2.243 3.935 -7.066 1.00 0.00 C ATOM 939 CG1 ILE A 91 -2.251 5.345 -7.709 1.00 0.00 C ATOM 940 CG2 ILE A 91 -2.222 2.879 -8.188 1.00 0.00 C ATOM 941 CD1 ILE A 91 -1.213 6.314 -7.133 1.00 0.00 C ATOM 0 H ILE A 91 -2.613 5.143 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.354 3.974 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.356 3.843 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.078 5.243 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.243 5.780 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.350 3.039 -8.822 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.173 1.883 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.128 2.967 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.291 7.275 -7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.396 6.452 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.213 5.906 -7.280 1.00 0.00 H new ATOM 953 N ILE A 92 -2.794 1.786 -4.777 1.00 0.00 N ATOM 954 CA ILE A 92 -2.832 0.400 -4.282 1.00 0.00 C ATOM 955 C ILE A 92 -4.244 0.034 -3.817 1.00 0.00 C ATOM 956 O ILE A 92 -4.738 -1.042 -4.157 1.00 0.00 O ATOM 957 CB ILE A 92 -1.797 0.188 -3.153 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.353 0.362 -3.678 1.00 0.00 C ATOM 959 CG2 ILE A 92 -1.937 -1.204 -2.510 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.645 0.748 -2.574 1.00 0.00 C ATOM 0 H ILE A 92 -2.093 2.365 -4.314 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.565 -0.265 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.998 0.947 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.028 -0.567 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.344 1.129 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.193 -1.317 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.935 -1.310 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.781 -1.972 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.640 0.855 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.341 1.692 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.662 -0.030 -1.811 1.00 0.00 H new ATOM 972 N LEU A 93 -4.908 0.947 -3.095 1.00 0.00 N ATOM 973 CA LEU A 93 -6.293 0.787 -2.666 1.00 0.00 C ATOM 974 C LEU A 93 -7.225 0.614 -3.862 1.00 0.00 C ATOM 975 O LEU A 93 -7.903 -0.409 -3.941 1.00 0.00 O ATOM 976 CB LEU A 93 -6.738 1.969 -1.782 1.00 0.00 C ATOM 977 CG LEU A 93 -6.512 1.783 -0.273 1.00 0.00 C ATOM 978 CD1 LEU A 93 -7.219 0.534 0.259 1.00 0.00 C ATOM 979 CD2 LEU A 93 -5.040 1.770 0.142 1.00 0.00 C ATOM 0 H LEU A 93 -4.488 1.826 -2.792 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.353 -0.121 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.205 2.863 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.799 2.151 -1.954 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.957 2.668 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.034 0.439 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.291 0.620 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.836 -0.348 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.967 1.635 1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.527 0.951 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.575 2.715 -0.137 1.00 0.00 H new ATOM 991 N HIS A 94 -7.256 1.578 -4.792 1.00 0.00 N ATOM 992 CA HIS A 94 -8.119 1.484 -5.971 1.00 0.00 C ATOM 993 C HIS A 94 -7.836 0.211 -6.780 1.00 0.00 C ATOM 994 O HIS A 94 -8.776 -0.496 -7.132 1.00 0.00 O ATOM 995 CB HIS A 94 -7.987 2.746 -6.838 1.00 0.00 C ATOM 996 CG HIS A 94 -9.025 2.852 -7.937 1.00 0.00 C ATOM 997 ND1 HIS A 94 -8.797 3.275 -9.229 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.368 2.598 -7.822 1.00 0.00 C ATOM 999 CE1 HIS A 94 -9.976 3.264 -9.877 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -10.962 2.864 -9.060 1.00 0.00 N ATOM 0 H HIS A 94 -6.694 2.428 -4.749 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.151 1.417 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.061 3.624 -6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.994 2.763 -7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.876 2.254 -6.933 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.110 3.539 -10.913 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.950 2.772 -9.295 1.00 0.00 H new ATOM 1008 N SER A 95 -6.559 -0.116 -7.016 1.00 0.00 N ATOM 1009 CA SER A 95 -6.140 -1.316 -7.741 1.00 0.00 C ATOM 1010 C SER A 95 -6.650 -2.584 -7.054 1.00 0.00 C ATOM 1011 O SER A 95 -7.353 -3.364 -7.689 1.00 0.00 O ATOM 1012 CB SER A 95 -4.614 -1.342 -7.916 1.00 0.00 C ATOM 1013 OG SER A 95 -4.258 -2.162 -9.015 1.00 0.00 O ATOM 0 H SER A 95 -5.777 0.458 -6.702 1.00 0.00 H new ATOM 0 HA SER A 95 -6.587 -1.285 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.242 -0.330 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.143 -1.716 -7.007 1.00 0.00 H new ATOM 0 HG SER A 95 -3.283 -2.168 -9.116 1.00 0.00 H new ATOM 1019 N ALA A 96 -6.332 -2.790 -5.767 1.00 0.00 N ATOM 1020 CA ALA A 96 -6.752 -3.972 -5.012 1.00 0.00 C ATOM 1021 C ALA A 96 -8.281 -4.092 -4.908 1.00 0.00 C ATOM 1022 O ALA A 96 -8.826 -5.179 -5.119 1.00 0.00 O ATOM 1023 CB ALA A 96 -6.110 -3.928 -3.621 1.00 0.00 C ATOM 0 H ALA A 96 -5.773 -2.135 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.414 -4.858 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.417 -4.805 -3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.025 -3.922 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.431 -3.026 -3.100 1.00 0.00 H new ATOM 1029 N LEU A 97 -8.971 -2.981 -4.608 1.00 0.00 N ATOM 1030 CA LEU A 97 -10.429 -2.911 -4.560 1.00 0.00 C ATOM 1031 C LEU A 97 -11.044 -3.290 -5.906 1.00 0.00 C ATOM 1032 O LEU A 97 -11.790 -4.266 -5.972 1.00 0.00 O ATOM 1033 CB LEU A 97 -10.887 -1.503 -4.134 1.00 0.00 C ATOM 1034 CG LEU A 97 -10.720 -1.198 -2.633 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -11.085 0.269 -2.384 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -11.615 -2.103 -1.778 1.00 0.00 C ATOM 0 H LEU A 97 -8.518 -2.094 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.776 -3.630 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.325 -0.765 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.937 -1.381 -4.401 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.684 -1.387 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.971 0.498 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.426 0.912 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.119 0.443 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.474 -1.863 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.659 -1.944 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.349 -3.146 -1.951 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.730 -2.542 -6.972 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.283 -2.767 -8.307 1.00 0.00 C ATOM 1050 C TYR A 98 -10.961 -4.184 -8.802 1.00 0.00 C ATOM 1051 O TYR A 98 -11.857 -4.879 -9.274 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.776 -1.682 -9.272 1.00 0.00 C ATOM 1053 CG TYR A 98 -11.714 -1.362 -10.420 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.867 -2.264 -11.489 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -12.430 -0.148 -10.423 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -12.742 -1.959 -12.549 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -13.300 0.163 -11.484 1.00 0.00 C ATOM 1058 CZ TYR A 98 -13.463 -0.746 -12.549 1.00 0.00 C ATOM 1059 OH TYR A 98 -14.302 -0.455 -13.580 1.00 0.00 O ATOM 0 H TYR A 98 -10.079 -1.758 -6.928 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.369 -2.692 -8.263 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.593 -0.769 -8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.818 -2.000 -9.682 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.313 -3.191 -11.496 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.310 0.548 -9.606 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.862 -2.656 -13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.842 1.097 -11.483 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.721 0.417 -13.424 1.00 0.00 H new ATOM 1069 N PHE A 99 -9.718 -4.653 -8.628 1.00 0.00 N ATOM 1070 CA PHE A 99 -9.297 -6.014 -8.972 1.00 0.00 C ATOM 1071 C PHE A 99 -10.205 -7.077 -8.343 1.00 0.00 C ATOM 1072 O PHE A 99 -10.779 -7.906 -9.056 1.00 0.00 O ATOM 1073 CB PHE A 99 -7.842 -6.233 -8.538 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.361 -7.650 -8.761 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.105 -8.095 -10.069 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -7.222 -8.536 -7.675 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -6.708 -9.424 -10.293 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -6.828 -9.867 -7.900 1.00 0.00 C ATOM 1079 CZ PHE A 99 -6.571 -10.310 -9.210 1.00 0.00 C ATOM 0 H PHE A 99 -8.965 -4.086 -8.237 1.00 0.00 H new ATOM 0 HA PHE A 99 -9.377 -6.122 -10.054 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -7.198 -5.547 -9.088 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.743 -5.985 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.213 -7.416 -10.902 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.418 -8.193 -6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.508 -9.765 -11.298 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.723 -10.548 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.268 -11.332 -9.384 1.00 0.00 H new ATOM 1089 N LYS A 100 -10.353 -7.044 -7.011 1.00 0.00 N ATOM 1090 CA LYS A 100 -11.252 -7.960 -6.305 1.00 0.00 C ATOM 1091 C LYS A 100 -12.693 -7.778 -6.768 1.00 0.00 C ATOM 1092 O LYS A 100 -13.346 -8.769 -7.066 1.00 0.00 O ATOM 1093 CB LYS A 100 -11.137 -7.784 -4.791 1.00 0.00 C ATOM 1094 CG LYS A 100 -9.773 -8.246 -4.256 1.00 0.00 C ATOM 1095 CD LYS A 100 -9.546 -7.829 -2.795 1.00 0.00 C ATOM 1096 CE LYS A 100 -10.347 -8.651 -1.771 1.00 0.00 C ATOM 1097 NZ LYS A 100 -11.780 -8.261 -1.678 1.00 0.00 N ATOM 0 H LYS A 100 -9.860 -6.391 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.948 -8.978 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -11.289 -6.735 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -11.929 -8.350 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.702 -9.331 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.981 -7.828 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.484 -7.918 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.809 -6.777 -2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.284 -9.706 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.886 -8.541 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.089 -8.309 -0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.899 -7.290 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.355 -8.911 -2.251 1.00 0.00 H new ATOM 1111 N TYR A 101 -13.171 -6.537 -6.887 1.00 0.00 N ATOM 1112 CA TYR A 101 -14.527 -6.220 -7.332 1.00 0.00 C ATOM 1113 C TYR A 101 -14.864 -6.834 -8.701 1.00 0.00 C ATOM 1114 O TYR A 101 -15.976 -7.323 -8.896 1.00 0.00 O ATOM 1115 CB TYR A 101 -14.703 -4.696 -7.337 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.141 -4.260 -7.474 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -16.989 -4.314 -6.351 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.635 -3.817 -8.715 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -18.339 -3.942 -6.467 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.984 -3.440 -8.836 1.00 0.00 C ATOM 1121 CZ TYR A 101 -18.840 -3.509 -7.716 1.00 0.00 C ATOM 1122 OH TYR A 101 -20.151 -3.175 -7.852 1.00 0.00 O ATOM 0 H TYR A 101 -12.614 -5.710 -6.672 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.232 -6.668 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -14.293 -4.287 -6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -14.123 -4.273 -8.157 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -16.601 -4.642 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.980 -3.767 -9.572 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -18.990 -3.987 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.365 -3.097 -9.787 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.324 -2.899 -8.776 1.00 0.00 H new ATOM 1132 N LEU A 102 -13.893 -6.873 -9.621 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.009 -7.579 -10.894 1.00 0.00 C ATOM 1134 C LEU A 102 -14.053 -9.106 -10.701 1.00 0.00 C ATOM 1135 O LEU A 102 -15.008 -9.756 -11.142 1.00 0.00 O ATOM 1136 CB LEU A 102 -12.850 -7.166 -11.818 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.892 -5.713 -12.326 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -11.707 -5.491 -13.273 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -14.210 -5.376 -13.032 1.00 0.00 C ATOM 0 H LEU A 102 -12.994 -6.407 -9.497 1.00 0.00 H new ATOM 0 HA LEU A 102 -14.953 -7.297 -11.360 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.912 -7.319 -11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -12.840 -7.833 -12.680 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.823 -5.047 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.723 -4.465 -13.642 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.775 -5.670 -12.737 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.780 -6.180 -14.114 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.187 -4.340 -13.370 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.342 -6.035 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.040 -5.513 -12.338 1.00 0.00 H new ATOM 1151 N LEU A 103 -13.038 -9.692 -10.046 1.00 0.00 N ATOM 1152 CA LEU A 103 -12.962 -11.149 -9.847 1.00 0.00 C ATOM 1153 C LEU A 103 -14.194 -11.693 -9.092 1.00 0.00 C ATOM 1154 O LEU A 103 -14.673 -12.782 -9.416 1.00 0.00 O ATOM 1155 CB LEU A 103 -11.595 -11.550 -9.232 1.00 0.00 C ATOM 1156 CG LEU A 103 -11.592 -11.804 -7.707 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -12.013 -13.246 -7.368 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -10.230 -11.517 -7.064 1.00 0.00 C ATOM 0 H LEU A 103 -12.255 -9.177 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.003 -11.640 -10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.244 -12.452 -9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.874 -10.762 -9.452 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.322 -11.108 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.998 -13.385 -6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.020 -13.429 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.319 -13.946 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.285 -11.712 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.473 -12.161 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.962 -10.473 -7.230 1.00 0.00 H new