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 75 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 164:sc= -0.0177 (180deg=-0.205) USER MOD Set 2.1: A 47 SER OG : rot 180:sc= 0.0037 USER MOD Set 2.2: A 51 GLN : amide:sc= 0.00452 X(o=0.0082,f=0.057) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 64:sc= 1.23 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 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 176:sc= 1.55 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 95 SER OG : rot -88:sc= 1.24 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PHE A 38 -7.361 -28.369 3.900 1.00 0.00 N ATOM 88 CA PHE A 38 -8.238 -27.253 4.274 1.00 0.00 C ATOM 89 C PHE A 38 -7.539 -26.190 5.144 1.00 0.00 C ATOM 90 O PHE A 38 -8.028 -25.064 5.229 1.00 0.00 O ATOM 91 CB PHE A 38 -9.493 -27.803 4.972 1.00 0.00 C ATOM 92 CG PHE A 38 -9.213 -28.704 6.163 1.00 0.00 C ATOM 93 CD1 PHE A 38 -8.744 -28.157 7.373 1.00 0.00 C ATOM 94 CD2 PHE A 38 -9.378 -30.100 6.051 1.00 0.00 C ATOM 95 CE1 PHE A 38 -8.418 -28.993 8.452 1.00 0.00 C ATOM 96 CE2 PHE A 38 -9.065 -30.937 7.137 1.00 0.00 C ATOM 97 CZ PHE A 38 -8.582 -30.384 8.337 1.00 0.00 C ATOM 0 HA PHE A 38 -8.520 -26.738 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.105 -26.964 5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.083 -28.359 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.634 -27.087 7.471 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.745 -30.527 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.041 -28.568 9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.196 -32.006 7.050 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.337 -31.028 9.169 1.00 0.00 H new ATOM 107 N ASP A 39 -6.395 -26.523 5.760 1.00 0.00 N ATOM 108 CA ASP A 39 -5.572 -25.624 6.572 1.00 0.00 C ATOM 109 C ASP A 39 -5.269 -24.294 5.868 1.00 0.00 C ATOM 110 O ASP A 39 -5.323 -23.250 6.516 1.00 0.00 O ATOM 111 CB ASP A 39 -4.278 -26.344 6.993 1.00 0.00 C ATOM 112 CG ASP A 39 -4.400 -26.876 8.421 1.00 0.00 C ATOM 113 OD1 ASP A 39 -4.904 -28.013 8.569 1.00 0.00 O ATOM 114 OD2 ASP A 39 -4.050 -26.114 9.351 1.00 0.00 O ATOM 0 H ASP A 39 -6.005 -27.464 5.702 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.145 -25.365 7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.074 -27.167 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.434 -25.657 6.926 1.00 0.00 H new ATOM 119 N GLU A 40 -5.046 -24.306 4.546 1.00 0.00 N ATOM 120 CA GLU A 40 -4.804 -23.095 3.755 1.00 0.00 C ATOM 121 C GLU A 40 -5.987 -22.118 3.835 1.00 0.00 C ATOM 122 O GLU A 40 -5.812 -20.929 4.110 1.00 0.00 O ATOM 123 CB GLU A 40 -4.551 -23.442 2.277 1.00 0.00 C ATOM 124 CG GLU A 40 -3.544 -24.561 2.001 1.00 0.00 C ATOM 125 CD GLU A 40 -2.237 -24.452 2.790 1.00 0.00 C ATOM 126 OE1 GLU A 40 -1.347 -23.691 2.347 1.00 0.00 O ATOM 127 OE2 GLU A 40 -2.136 -25.177 3.804 1.00 0.00 O ATOM 0 H GLU A 40 -5.029 -25.163 3.994 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.920 -22.618 4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.503 -23.720 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.207 -22.541 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.013 -25.518 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.311 -24.567 0.936 1.00 0.00 H new ATOM 134 N LEU A 41 -7.204 -22.634 3.609 1.00 0.00 N ATOM 135 CA LEU A 41 -8.450 -21.878 3.706 1.00 0.00 C ATOM 136 C LEU A 41 -8.633 -21.362 5.131 1.00 0.00 C ATOM 137 O LEU A 41 -8.853 -20.167 5.316 1.00 0.00 O ATOM 138 CB LEU A 41 -9.654 -22.740 3.279 1.00 0.00 C ATOM 139 CG LEU A 41 -9.982 -22.766 1.774 1.00 0.00 C ATOM 140 CD1 LEU A 41 -10.499 -21.415 1.267 1.00 0.00 C ATOM 141 CD2 LEU A 41 -8.798 -23.206 0.906 1.00 0.00 C ATOM 0 H LEU A 41 -7.347 -23.610 3.348 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.395 -21.027 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.474 -23.764 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.535 -22.385 3.814 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.772 -23.511 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.716 -21.485 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.408 -21.148 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.741 -20.650 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.095 -23.203 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.966 -22.517 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.490 -24.211 1.193 1.00 0.00 H new ATOM 153 N GLN A 42 -8.510 -22.243 6.133 1.00 0.00 N ATOM 154 CA GLN A 42 -8.614 -21.842 7.538 1.00 0.00 C ATOM 155 C GLN A 42 -7.602 -20.735 7.874 1.00 0.00 C ATOM 156 O GLN A 42 -7.975 -19.748 8.500 1.00 0.00 O ATOM 157 CB GLN A 42 -8.501 -23.042 8.488 1.00 0.00 C ATOM 158 CG GLN A 42 -9.515 -24.148 8.140 1.00 0.00 C ATOM 159 CD GLN A 42 -10.000 -24.950 9.342 1.00 0.00 C ATOM 160 OE1 GLN A 42 -11.191 -25.080 9.584 1.00 0.00 O ATOM 161 NE2 GLN A 42 -9.112 -25.549 10.112 1.00 0.00 N ATOM 0 H GLN A 42 -8.338 -23.239 5.994 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.610 -21.426 7.689 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.491 -23.448 8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.664 -22.710 9.513 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.376 -23.695 7.648 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.060 -24.830 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.116 -25.446 9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.421 -26.115 10.902 1.00 0.00 H new ATOM 170 N GLY A 43 -6.367 -20.833 7.368 1.00 0.00 N ATOM 171 CA GLY A 43 -5.319 -19.822 7.493 1.00 0.00 C ATOM 172 C GLY A 43 -5.716 -18.463 6.910 1.00 0.00 C ATOM 173 O GLY A 43 -5.644 -17.454 7.616 1.00 0.00 O ATOM 0 H GLY A 43 -6.062 -21.651 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.067 -19.698 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.420 -20.177 6.990 1.00 0.00 H new ATOM 177 N LEU A 44 -6.160 -18.426 5.644 1.00 0.00 N ATOM 178 CA LEU A 44 -6.533 -17.163 4.994 1.00 0.00 C ATOM 179 C LEU A 44 -7.666 -16.442 5.749 1.00 0.00 C ATOM 180 O LEU A 44 -7.658 -15.213 5.877 1.00 0.00 O ATOM 181 CB LEU A 44 -6.822 -17.375 3.488 1.00 0.00 C ATOM 182 CG LEU A 44 -8.288 -17.662 3.092 1.00 0.00 C ATOM 183 CD1 LEU A 44 -9.122 -16.390 2.900 1.00 0.00 C ATOM 184 CD2 LEU A 44 -8.382 -18.438 1.786 1.00 0.00 C ATOM 0 H LEU A 44 -6.269 -19.251 5.054 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.679 -16.487 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.493 -16.485 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.207 -18.204 3.138 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.682 -18.242 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.141 -16.661 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.138 -15.821 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.681 -15.782 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.429 -18.619 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.919 -17.861 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.864 -19.391 1.891 1.00 0.00 H new ATOM 196 N VAL A 45 -8.652 -17.197 6.257 1.00 0.00 N ATOM 197 CA VAL A 45 -9.779 -16.630 7.013 1.00 0.00 C ATOM 198 C VAL A 45 -9.416 -16.338 8.470 1.00 0.00 C ATOM 199 O VAL A 45 -10.036 -15.467 9.076 1.00 0.00 O ATOM 200 CB VAL A 45 -11.056 -17.489 6.930 1.00 0.00 C ATOM 201 CG1 VAL A 45 -11.474 -17.740 5.474 1.00 0.00 C ATOM 202 CG2 VAL A 45 -10.929 -18.829 7.654 1.00 0.00 C ATOM 0 H VAL A 45 -8.691 -18.211 6.156 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.000 -15.680 6.527 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.826 -16.907 7.437 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.378 -18.349 5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.668 -16.787 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.673 -18.263 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.862 -19.385 7.557 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.116 -19.405 7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.719 -18.654 8.709 1.00 0.00 H new ATOM 212 N ASN A 46 -8.405 -17.025 9.020 1.00 0.00 N ATOM 213 CA ASN A 46 -7.913 -16.833 10.381 1.00 0.00 C ATOM 214 C ASN A 46 -7.411 -15.406 10.589 1.00 0.00 C ATOM 215 O ASN A 46 -7.786 -14.777 11.575 1.00 0.00 O ATOM 216 CB ASN A 46 -6.795 -17.852 10.713 1.00 0.00 C ATOM 217 CG ASN A 46 -7.236 -18.962 11.649 1.00 0.00 C ATOM 218 OD1 ASN A 46 -7.078 -20.140 11.386 1.00 0.00 O ATOM 219 ND2 ASN A 46 -7.761 -18.612 12.805 1.00 0.00 N ATOM 0 H ASN A 46 -7.896 -17.748 8.512 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.748 -17.003 11.061 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.432 -18.294 9.785 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.955 -17.322 11.163 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.035 -19.328 13.478 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.894 -17.625 13.027 1.00 0.00 H new ATOM 226 N SER A 47 -6.538 -14.927 9.691 1.00 0.00 N ATOM 227 CA SER A 47 -5.918 -13.600 9.770 1.00 0.00 C ATOM 228 C SER A 47 -5.171 -13.278 8.466 1.00 0.00 C ATOM 229 O SER A 47 -3.942 -13.207 8.416 1.00 0.00 O ATOM 230 CB SER A 47 -5.001 -13.531 11.006 1.00 0.00 C ATOM 231 OG SER A 47 -4.664 -12.202 11.345 1.00 0.00 O ATOM 0 H SER A 47 -6.239 -15.462 8.876 1.00 0.00 H new ATOM 0 HA SER A 47 -6.689 -12.839 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.498 -14.005 11.852 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.090 -14.097 10.813 1.00 0.00 H new ATOM 0 HG SER A 47 -4.083 -12.203 12.134 1.00 0.00 H new ATOM 237 N THR A 48 -5.905 -13.161 7.353 1.00 0.00 N ATOM 238 CA THR A 48 -5.345 -12.724 6.059 1.00 0.00 C ATOM 239 C THR A 48 -6.389 -11.951 5.251 1.00 0.00 C ATOM 240 O THR A 48 -6.165 -10.787 4.923 1.00 0.00 O ATOM 241 CB THR A 48 -4.780 -13.910 5.251 1.00 0.00 C ATOM 242 OG1 THR A 48 -4.011 -14.745 6.087 1.00 0.00 O ATOM 243 CG2 THR A 48 -3.861 -13.489 4.108 1.00 0.00 C ATOM 0 H THR A 48 -6.904 -13.365 7.319 1.00 0.00 H new ATOM 0 HA THR A 48 -4.512 -12.053 6.269 1.00 0.00 H new ATOM 0 HB THR A 48 -5.654 -14.416 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.658 -15.495 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.502 -14.375 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.412 -12.855 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.012 -12.935 4.509 1.00 0.00 H new ATOM 251 N VAL A 49 -7.551 -12.559 4.966 1.00 0.00 N ATOM 252 CA VAL A 49 -8.647 -11.884 4.253 1.00 0.00 C ATOM 253 C VAL A 49 -9.299 -10.811 5.125 1.00 0.00 C ATOM 254 O VAL A 49 -9.485 -9.691 4.664 1.00 0.00 O ATOM 255 CB VAL A 49 -9.678 -12.894 3.708 1.00 0.00 C ATOM 256 CG1 VAL A 49 -10.636 -13.458 4.767 1.00 0.00 C ATOM 257 CG2 VAL A 49 -10.493 -12.295 2.554 1.00 0.00 C ATOM 0 H VAL A 49 -7.757 -13.525 5.221 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.216 -11.378 3.389 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.078 -13.730 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.326 -14.159 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.063 -13.974 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.200 -12.642 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.210 -13.033 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.027 -11.412 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.822 -12.014 1.742 1.00 0.00 H new ATOM 267 N THR A 50 -9.600 -11.126 6.393 1.00 0.00 N ATOM 268 CA THR A 50 -10.278 -10.211 7.321 1.00 0.00 C ATOM 269 C THR A 50 -9.454 -8.941 7.550 1.00 0.00 C ATOM 270 O THR A 50 -10.001 -7.841 7.569 1.00 0.00 O ATOM 271 CB THR A 50 -10.630 -10.931 8.638 1.00 0.00 C ATOM 272 OG1 THR A 50 -11.566 -10.178 9.372 1.00 0.00 O ATOM 273 CG2 THR A 50 -9.434 -11.193 9.559 1.00 0.00 C ATOM 0 H THR A 50 -9.377 -12.031 6.806 1.00 0.00 H new ATOM 0 HA THR A 50 -11.217 -9.894 6.868 1.00 0.00 H new ATOM 0 HB THR A 50 -11.030 -11.896 8.326 1.00 0.00 H new ATOM 0 HG1 THR A 50 -11.782 -10.647 10.205 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.774 -11.702 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.706 -11.818 9.041 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.970 -10.245 9.831 1.00 0.00 H new ATOM 281 N GLN A 51 -8.124 -9.086 7.618 1.00 0.00 N ATOM 282 CA GLN A 51 -7.199 -7.977 7.815 1.00 0.00 C ATOM 283 C GLN A 51 -7.207 -6.998 6.635 1.00 0.00 C ATOM 284 O GLN A 51 -7.020 -5.801 6.840 1.00 0.00 O ATOM 285 CB GLN A 51 -5.782 -8.522 8.056 1.00 0.00 C ATOM 286 CG GLN A 51 -5.001 -7.670 9.075 1.00 0.00 C ATOM 287 CD GLN A 51 -4.991 -8.333 10.447 1.00 0.00 C ATOM 288 OE1 GLN A 51 -5.703 -7.958 11.364 1.00 0.00 O ATOM 289 NE2 GLN A 51 -4.212 -9.385 10.600 1.00 0.00 N ATOM 0 H GLN A 51 -7.661 -9.991 7.536 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.529 -7.419 8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.845 -9.549 8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.238 -8.547 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.977 -7.529 8.728 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.452 -6.680 9.149 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.618 -9.696 9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.203 -9.888 11.487 1.00 0.00 H new ATOM 298 N ALA A 52 -7.462 -7.487 5.412 1.00 0.00 N ATOM 299 CA ALA A 52 -7.484 -6.676 4.197 1.00 0.00 C ATOM 300 C ALA A 52 -8.541 -5.564 4.274 1.00 0.00 C ATOM 301 O ALA A 52 -8.226 -4.399 4.021 1.00 0.00 O ATOM 302 CB ALA A 52 -7.717 -7.591 2.988 1.00 0.00 C ATOM 0 H ALA A 52 -7.661 -8.473 5.243 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.521 -6.177 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.735 -6.993 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.912 -8.323 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.670 -8.108 3.101 1.00 0.00 H new ATOM 308 N ILE A 53 -9.775 -5.918 4.669 1.00 0.00 N ATOM 309 CA ILE A 53 -10.873 -4.961 4.866 1.00 0.00 C ATOM 310 C ILE A 53 -10.465 -3.906 5.898 1.00 0.00 C ATOM 311 O ILE A 53 -10.503 -2.710 5.606 1.00 0.00 O ATOM 312 CB ILE A 53 -12.197 -5.665 5.261 1.00 0.00 C ATOM 313 CG1 ILE A 53 -12.609 -6.738 4.222 1.00 0.00 C ATOM 314 CG2 ILE A 53 -13.324 -4.625 5.399 1.00 0.00 C ATOM 315 CD1 ILE A 53 -12.280 -8.156 4.697 1.00 0.00 C ATOM 0 H ILE A 53 -10.039 -6.884 4.862 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.064 -4.463 3.915 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.032 -6.164 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.679 -6.661 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.098 -6.544 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.251 -5.127 5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.059 -3.901 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.462 -4.109 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.586 -8.875 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.207 -8.243 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.812 -8.361 5.626 1.00 0.00 H new ATOM 327 N LEU A 54 -10.028 -4.353 7.084 1.00 0.00 N ATOM 328 CA LEU A 54 -9.601 -3.483 8.180 1.00 0.00 C ATOM 329 C LEU A 54 -8.510 -2.511 7.719 1.00 0.00 C ATOM 330 O LEU A 54 -8.615 -1.316 7.994 1.00 0.00 O ATOM 331 CB LEU A 54 -9.062 -4.310 9.361 1.00 0.00 C ATOM 332 CG LEU A 54 -9.999 -5.402 9.911 1.00 0.00 C ATOM 333 CD1 LEU A 54 -9.206 -6.374 10.795 1.00 0.00 C ATOM 334 CD2 LEU A 54 -11.194 -4.824 10.682 1.00 0.00 C ATOM 0 H LEU A 54 -9.962 -5.346 7.308 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.476 -2.918 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.130 -4.783 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.818 -3.627 10.174 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.410 -5.938 9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.875 -7.143 11.181 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.417 -6.841 10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.762 -5.829 11.628 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.820 -5.638 11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.833 -4.238 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.779 -4.185 10.021 1.00 0.00 H new ATOM 346 N PHE A 55 -7.463 -3.025 7.059 1.00 0.00 N ATOM 347 CA PHE A 55 -6.335 -2.248 6.558 1.00 0.00 C ATOM 348 C PHE A 55 -6.768 -1.202 5.533 1.00 0.00 C ATOM 349 O PHE A 55 -6.374 -0.042 5.668 1.00 0.00 O ATOM 350 CB PHE A 55 -5.263 -3.171 5.965 1.00 0.00 C ATOM 351 CG PHE A 55 -3.975 -2.440 5.631 1.00 0.00 C ATOM 352 CD1 PHE A 55 -3.233 -1.835 6.664 1.00 0.00 C ATOM 353 CD2 PHE A 55 -3.525 -2.343 4.300 1.00 0.00 C ATOM 354 CE1 PHE A 55 -2.051 -1.133 6.370 1.00 0.00 C ATOM 355 CE2 PHE A 55 -2.337 -1.649 4.008 1.00 0.00 C ATOM 356 CZ PHE A 55 -1.602 -1.041 5.041 1.00 0.00 C ATOM 0 H PHE A 55 -7.381 -4.021 6.856 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.909 -1.713 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.048 -3.972 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.653 -3.640 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.573 -1.911 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.092 -2.802 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.489 -0.665 7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.989 -1.583 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.693 -0.504 4.814 1.00 0.00 H new ATOM 366 N GLY A 56 -7.584 -1.589 4.543 1.00 0.00 N ATOM 367 CA GLY A 56 -8.139 -0.678 3.541 1.00 0.00 C ATOM 368 C GLY A 56 -8.946 0.465 4.162 1.00 0.00 C ATOM 369 O GLY A 56 -8.768 1.618 3.764 1.00 0.00 O ATOM 0 H GLY A 56 -7.879 -2.557 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.327 -0.262 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.778 -1.240 2.860 1.00 0.00 H new ATOM 373 N VAL A 57 -9.788 0.157 5.161 1.00 0.00 N ATOM 374 CA VAL A 57 -10.597 1.144 5.897 1.00 0.00 C ATOM 375 C VAL A 57 -9.696 2.179 6.570 1.00 0.00 C ATOM 376 O VAL A 57 -9.742 3.358 6.210 1.00 0.00 O ATOM 377 CB VAL A 57 -11.526 0.469 6.933 1.00 0.00 C ATOM 378 CG1 VAL A 57 -12.294 1.512 7.764 1.00 0.00 C ATOM 379 CG2 VAL A 57 -12.547 -0.475 6.281 1.00 0.00 C ATOM 0 H VAL A 57 -9.929 -0.800 5.486 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.234 1.653 5.174 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.869 -0.113 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.937 1.003 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.585 2.146 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.904 2.127 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.174 -0.922 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.172 0.088 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.021 -1.262 5.740 1.00 0.00 H new ATOM 389 N ARG A 58 -8.871 1.750 7.539 1.00 0.00 N ATOM 390 CA ARG A 58 -7.973 2.656 8.269 1.00 0.00 C ATOM 391 C ARG A 58 -7.011 3.391 7.340 1.00 0.00 C ATOM 392 O ARG A 58 -6.760 4.564 7.579 1.00 0.00 O ATOM 393 CB ARG A 58 -7.251 1.934 9.416 1.00 0.00 C ATOM 394 CG ARG A 58 -6.323 0.794 8.960 1.00 0.00 C ATOM 395 CD ARG A 58 -6.002 -0.220 10.067 1.00 0.00 C ATOM 396 NE ARG A 58 -7.219 -0.885 10.577 1.00 0.00 N ATOM 397 CZ ARG A 58 -7.881 -0.613 11.696 1.00 0.00 C ATOM 398 NH1 ARG A 58 -7.511 0.349 12.509 1.00 0.00 N ATOM 399 NH2 ARG A 58 -8.962 -1.288 12.009 1.00 0.00 N ATOM 0 H ARG A 58 -8.808 0.776 7.835 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.596 3.426 8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.665 2.662 9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.996 1.529 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.788 0.271 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.391 1.222 8.590 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.312 -0.971 9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.495 0.287 10.888 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.594 -1.640 10.003 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.691 0.915 12.290 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.043 0.530 13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.299 -2.027 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.466 -1.074 12.870 1.00 0.00 H new ATOM 413 N SER A 59 -6.552 2.752 6.257 1.00 0.00 N ATOM 414 CA SER A 59 -5.706 3.370 5.232 1.00 0.00 C ATOM 415 C SER A 59 -6.403 4.549 4.551 1.00 0.00 C ATOM 416 O SER A 59 -5.926 5.678 4.660 1.00 0.00 O ATOM 417 CB SER A 59 -5.265 2.340 4.187 1.00 0.00 C ATOM 418 OG SER A 59 -4.395 1.410 4.789 1.00 0.00 O ATOM 0 H SER A 59 -6.763 1.772 6.066 1.00 0.00 H new ATOM 0 HA SER A 59 -4.821 3.754 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.134 1.828 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.765 2.838 3.357 1.00 0.00 H new ATOM 0 HG SER A 59 -4.876 0.915 5.485 1.00 0.00 H new ATOM 424 N GLY A 60 -7.531 4.304 3.866 1.00 0.00 N ATOM 425 CA GLY A 60 -8.268 5.356 3.162 1.00 0.00 C ATOM 426 C GLY A 60 -8.737 6.476 4.099 1.00 0.00 C ATOM 427 O GLY A 60 -8.602 7.655 3.767 1.00 0.00 O ATOM 0 H GLY A 60 -7.952 3.378 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.634 5.780 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.133 4.918 2.664 1.00 0.00 H new ATOM 431 N ALA A 61 -9.235 6.113 5.288 1.00 0.00 N ATOM 432 CA ALA A 61 -9.617 7.068 6.327 1.00 0.00 C ATOM 433 C ALA A 61 -8.433 7.921 6.815 1.00 0.00 C ATOM 434 O ALA A 61 -8.550 9.149 6.831 1.00 0.00 O ATOM 435 CB ALA A 61 -10.282 6.318 7.483 1.00 0.00 C ATOM 0 H ALA A 61 -9.384 5.140 5.554 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.329 7.771 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.568 7.027 8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.170 5.801 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.582 5.591 7.895 1.00 0.00 H new ATOM 441 N ALA A 62 -7.307 7.296 7.195 1.00 0.00 N ATOM 442 CA ALA A 62 -6.094 7.989 7.634 1.00 0.00 C ATOM 443 C ALA A 62 -5.581 8.955 6.562 1.00 0.00 C ATOM 444 O ALA A 62 -5.234 10.089 6.880 1.00 0.00 O ATOM 445 CB ALA A 62 -5.008 6.982 8.021 1.00 0.00 C ATOM 0 H ALA A 62 -7.217 6.280 7.205 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.349 8.579 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.115 7.516 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.369 6.353 8.835 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.766 6.359 7.160 1.00 0.00 H new ATOM 451 N ALA A 63 -5.585 8.540 5.290 1.00 0.00 N ATOM 452 CA ALA A 63 -5.244 9.422 4.181 1.00 0.00 C ATOM 453 C ALA A 63 -6.185 10.631 4.092 1.00 0.00 C ATOM 454 O ALA A 63 -5.714 11.766 4.086 1.00 0.00 O ATOM 455 CB ALA A 63 -5.224 8.629 2.876 1.00 0.00 C ATOM 0 H ALA A 63 -5.824 7.589 5.007 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.247 9.824 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.969 9.293 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.482 7.834 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.207 8.193 2.700 1.00 0.00 H new ATOM 461 N LEU A 64 -7.506 10.402 4.047 1.00 0.00 N ATOM 462 CA LEU A 64 -8.506 11.470 3.984 1.00 0.00 C ATOM 463 C LEU A 64 -8.283 12.527 5.070 1.00 0.00 C ATOM 464 O LEU A 64 -8.168 13.711 4.750 1.00 0.00 O ATOM 465 CB LEU A 64 -9.916 10.857 4.010 1.00 0.00 C ATOM 466 CG LEU A 64 -11.057 11.880 4.235 1.00 0.00 C ATOM 467 CD1 LEU A 64 -12.276 11.503 3.395 1.00 0.00 C ATOM 468 CD2 LEU A 64 -11.473 11.964 5.715 1.00 0.00 C ATOM 0 H LEU A 64 -7.909 9.465 4.053 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.398 12.007 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.091 10.339 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.958 10.106 4.799 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.678 12.855 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.071 12.229 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.003 11.499 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.624 10.511 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.275 12.693 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.821 10.987 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.617 12.271 6.317 1.00 0.00 H new ATOM 480 N THR A 65 -8.205 12.114 6.341 1.00 0.00 N ATOM 481 CA THR A 65 -8.001 13.067 7.442 1.00 0.00 C ATOM 482 C THR A 65 -6.689 13.846 7.289 1.00 0.00 C ATOM 483 O THR A 65 -6.701 15.065 7.467 1.00 0.00 O ATOM 484 CB THR A 65 -8.143 12.397 8.816 1.00 0.00 C ATOM 485 OG1 THR A 65 -8.086 13.370 9.830 1.00 0.00 O ATOM 486 CG2 THR A 65 -7.094 11.329 9.106 1.00 0.00 C ATOM 0 H THR A 65 -8.279 11.139 6.632 1.00 0.00 H new ATOM 0 HA THR A 65 -8.801 13.805 7.383 1.00 0.00 H new ATOM 0 HB THR A 65 -9.109 11.893 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.179 12.937 10.704 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.268 10.908 10.096 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.163 10.539 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.100 11.776 9.071 1.00 0.00 H new ATOM 494 N LEU A 66 -5.596 13.182 6.863 1.00 0.00 N ATOM 495 CA LEU A 66 -4.302 13.817 6.564 1.00 0.00 C ATOM 496 C LEU A 66 -4.452 14.926 5.515 1.00 0.00 C ATOM 497 O LEU A 66 -3.900 16.014 5.681 1.00 0.00 O ATOM 498 CB LEU A 66 -3.225 12.762 6.215 1.00 0.00 C ATOM 499 CG LEU A 66 -2.643 12.732 4.782 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.620 13.850 4.525 1.00 0.00 C ATOM 501 CD2 LEU A 66 -2.018 11.366 4.472 1.00 0.00 C ATOM 0 H LEU A 66 -5.590 12.173 6.715 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.944 14.315 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.393 12.900 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.649 11.779 6.419 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.484 12.905 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.248 13.775 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.097 14.820 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.788 13.749 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.616 11.371 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.214 11.165 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.779 10.590 4.557 1.00 0.00 H new ATOM 513 N ILE A 67 -5.208 14.660 4.444 1.00 0.00 N ATOM 514 CA ILE A 67 -5.428 15.620 3.363 1.00 0.00 C ATOM 515 C ILE A 67 -6.150 16.848 3.924 1.00 0.00 C ATOM 516 O ILE A 67 -5.698 17.967 3.692 1.00 0.00 O ATOM 517 CB ILE A 67 -6.184 14.962 2.187 1.00 0.00 C ATOM 518 CG1 ILE A 67 -5.392 13.785 1.567 1.00 0.00 C ATOM 519 CG2 ILE A 67 -6.493 15.989 1.088 1.00 0.00 C ATOM 520 CD1 ILE A 67 -6.299 12.729 0.915 1.00 0.00 C ATOM 0 H ILE A 67 -5.685 13.769 4.305 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.472 15.951 2.957 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.115 14.573 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.700 14.173 0.820 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.790 13.311 2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.025 15.500 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.112 16.786 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.561 16.411 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.686 11.930 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.973 12.316 1.665 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.882 13.192 0.119 1.00 0.00 H new ATOM 532 N VAL A 68 -7.216 16.655 4.717 1.00 0.00 N ATOM 533 CA VAL A 68 -7.952 17.757 5.356 1.00 0.00 C ATOM 534 C VAL A 68 -7.054 18.583 6.279 1.00 0.00 C ATOM 535 O VAL A 68 -6.938 19.790 6.067 1.00 0.00 O ATOM 536 CB VAL A 68 -9.213 17.277 6.102 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.946 18.475 6.728 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.171 16.557 5.146 1.00 0.00 C ATOM 0 H VAL A 68 -7.591 15.732 4.933 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.287 18.404 4.545 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.897 16.585 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.835 18.124 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.284 18.979 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.239 19.173 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.053 16.227 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.472 17.239 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.670 15.692 4.712 1.00 0.00 H new ATOM 548 N VAL A 69 -6.405 17.963 7.279 1.00 0.00 N ATOM 549 CA VAL A 69 -5.490 18.687 8.181 1.00 0.00 C ATOM 550 C VAL A 69 -4.405 19.416 7.394 1.00 0.00 C ATOM 551 O VAL A 69 -4.102 20.559 7.716 1.00 0.00 O ATOM 552 CB VAL A 69 -4.890 17.799 9.293 1.00 0.00 C ATOM 553 CG1 VAL A 69 -4.042 16.652 8.753 1.00 0.00 C ATOM 554 CG2 VAL A 69 -4.004 18.588 10.267 1.00 0.00 C ATOM 0 H VAL A 69 -6.495 16.968 7.483 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.097 19.431 8.697 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.765 17.403 9.809 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.650 16.066 9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.656 16.014 8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.213 17.055 8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.609 17.914 11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.178 19.042 9.721 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.595 19.369 10.746 1.00 0.00 H new ATOM 564 N TRP A 70 -3.855 18.820 6.331 1.00 0.00 N ATOM 565 CA TRP A 70 -2.877 19.493 5.486 1.00 0.00 C ATOM 566 C TRP A 70 -3.469 20.670 4.691 1.00 0.00 C ATOM 567 O TRP A 70 -2.809 21.699 4.582 1.00 0.00 O ATOM 568 CB TRP A 70 -2.213 18.467 4.574 1.00 0.00 C ATOM 569 CG TRP A 70 -1.308 19.072 3.557 1.00 0.00 C ATOM 570 CD1 TRP A 70 -0.179 19.757 3.824 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.457 19.085 2.109 1.00 0.00 C ATOM 572 NE1 TRP A 70 0.389 20.182 2.644 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.343 19.778 1.552 1.00 0.00 C ATOM 574 CE3 TRP A 70 -2.407 18.558 1.210 1.00 0.00 C ATOM 575 CZ2 TRP A 70 -0.154 19.912 0.170 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -2.239 18.703 -0.181 1.00 0.00 C ATOM 577 CH2 TRP A 70 -1.116 19.372 -0.701 1.00 0.00 C ATOM 0 H TRP A 70 -4.075 17.868 6.039 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.125 19.941 6.135 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -1.644 17.766 5.184 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.986 17.892 4.064 1.00 0.00 H new ATOM 0 HD1 TRP A 70 0.219 19.944 4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 70 1.248 20.730 2.587 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.273 18.038 1.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.715 20.421 -0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.979 18.297 -0.855 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.993 19.471 -1.769 1.00 0.00 H new ATOM 588 N ILE A 71 -4.705 20.576 4.190 1.00 0.00 N ATOM 589 CA ILE A 71 -5.387 21.668 3.475 1.00 0.00 C ATOM 590 C ILE A 71 -5.562 22.909 4.368 1.00 0.00 C ATOM 591 O ILE A 71 -5.368 24.028 3.891 1.00 0.00 O ATOM 592 CB ILE A 71 -6.729 21.164 2.887 1.00 0.00 C ATOM 593 CG1 ILE A 71 -6.470 20.268 1.655 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.666 22.317 2.482 1.00 0.00 C ATOM 595 CD1 ILE A 71 -7.632 19.308 1.371 1.00 0.00 C ATOM 0 H ILE A 71 -5.270 19.730 4.269 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.760 21.984 2.642 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.221 20.593 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.301 20.897 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.558 19.692 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.591 21.908 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.891 22.927 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.179 22.933 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.398 18.702 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.785 18.657 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.540 19.881 1.183 1.00 0.00 H new ATOM 607 N THR A 72 -5.917 22.731 5.649 1.00 0.00 N ATOM 608 CA THR A 72 -6.087 23.849 6.599 1.00 0.00 C ATOM 609 C THR A 72 -4.779 24.247 7.302 1.00 0.00 C ATOM 610 O THR A 72 -4.424 25.426 7.305 1.00 0.00 O ATOM 611 CB THR A 72 -7.241 23.593 7.593 1.00 0.00 C ATOM 612 OG1 THR A 72 -7.199 24.515 8.660 1.00 0.00 O ATOM 613 CG2 THR A 72 -7.292 22.183 8.186 1.00 0.00 C ATOM 0 H THR A 72 -6.095 21.814 6.058 1.00 0.00 H new ATOM 0 HA THR A 72 -6.372 24.715 6.002 1.00 0.00 H new ATOM 0 HB THR A 72 -8.140 23.716 6.989 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.939 24.336 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.137 22.106 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.408 21.455 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.367 21.982 8.727 1.00 0.00 H new ATOM 621 N SER A 73 -4.034 23.287 7.865 1.00 0.00 N ATOM 622 CA SER A 73 -2.793 23.535 8.614 1.00 0.00 C ATOM 623 C SER A 73 -1.605 23.890 7.714 1.00 0.00 C ATOM 624 O SER A 73 -0.694 24.592 8.151 1.00 0.00 O ATOM 625 CB SER A 73 -2.422 22.296 9.437 1.00 0.00 C ATOM 626 OG SER A 73 -1.392 22.613 10.350 1.00 0.00 O ATOM 0 H SER A 73 -4.280 22.299 7.812 1.00 0.00 H new ATOM 0 HA SER A 73 -2.992 24.392 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.297 21.932 9.975 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.098 21.493 8.775 1.00 0.00 H new ATOM 0 HG SER A 73 -1.162 21.817 10.873 1.00 0.00 H new ATOM 632 N ARG A 74 -1.612 23.421 6.453 1.00 0.00 N ATOM 633 CA ARG A 74 -0.557 23.639 5.453 1.00 0.00 C ATOM 634 C ARG A 74 0.812 23.132 5.938 1.00 0.00 C ATOM 635 O ARG A 74 1.828 23.803 5.777 1.00 0.00 O ATOM 636 CB ARG A 74 -0.551 25.120 5.020 1.00 0.00 C ATOM 637 CG ARG A 74 -1.899 25.666 4.513 1.00 0.00 C ATOM 638 CD ARG A 74 -2.276 25.110 3.137 1.00 0.00 C ATOM 639 NE ARG A 74 -3.298 25.952 2.487 1.00 0.00 N ATOM 640 CZ ARG A 74 -3.536 26.045 1.185 1.00 0.00 C ATOM 641 NH1 ARG A 74 -2.932 25.266 0.318 1.00 0.00 N ATOM 642 NH2 ARG A 74 -4.382 26.934 0.720 1.00 0.00 N ATOM 0 H ARG A 74 -2.383 22.859 6.091 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.775 23.042 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.228 25.727 5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.192 25.248 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.681 25.416 5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.851 26.754 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.388 25.058 2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.652 24.092 3.243 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.881 26.521 3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.261 24.568 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.133 25.358 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.865 27.563 1.362 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.557 26.996 -0.283 1.00 0.00 H new ATOM 656 N SER A 75 0.842 21.923 6.524 1.00 0.00 N ATOM 657 CA SER A 75 2.054 21.270 7.046 1.00 0.00 C ATOM 658 C SER A 75 3.223 21.301 6.058 1.00 0.00 C ATOM 659 O SER A 75 3.193 20.609 5.042 1.00 0.00 O ATOM 660 CB SER A 75 1.801 19.798 7.416 1.00 0.00 C ATOM 661 OG SER A 75 1.425 19.646 8.770 1.00 0.00 O ATOM 0 H SER A 75 0.002 21.358 6.651 1.00 0.00 H new ATOM 0 HA SER A 75 2.316 21.846 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.018 19.393 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.702 19.216 7.223 1.00 0.00 H new ATOM 0 HG SER A 75 1.272 18.697 8.963 1.00 0.00 H new ATOM 667 N ARG A 76 4.304 22.011 6.411 1.00 0.00 N ATOM 668 CA ARG A 76 5.514 22.149 5.584 1.00 0.00 C ATOM 669 C ARG A 76 6.328 20.845 5.433 1.00 0.00 C ATOM 670 O ARG A 76 7.272 20.797 4.654 1.00 0.00 O ATOM 671 CB ARG A 76 6.374 23.294 6.161 1.00 0.00 C ATOM 672 CG ARG A 76 7.277 23.968 5.112 1.00 0.00 C ATOM 673 CD ARG A 76 6.519 24.975 4.239 1.00 0.00 C ATOM 674 NE ARG A 76 6.241 26.229 4.970 1.00 0.00 N ATOM 675 CZ ARG A 76 5.980 27.414 4.438 1.00 0.00 C ATOM 676 NH1 ARG A 76 5.918 27.593 3.135 1.00 0.00 N ATOM 677 NH2 ARG A 76 5.775 28.444 5.223 1.00 0.00 N ATOM 0 H ARG A 76 4.364 22.515 7.296 1.00 0.00 H new ATOM 0 HA ARG A 76 5.196 22.387 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.718 24.045 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.995 22.902 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.097 24.477 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.721 23.203 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.104 25.196 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.581 24.533 3.904 1.00 0.00 H new ATOM 0 HE ARG A 76 6.251 26.177 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.073 26.807 2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.715 28.518 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.817 28.330 6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.574 29.360 4.821 1.00 0.00 H new ATOM 691 N LYS A 77 5.943 19.776 6.143 1.00 0.00 N ATOM 692 CA LYS A 77 6.581 18.449 6.140 1.00 0.00 C ATOM 693 C LYS A 77 5.999 17.471 5.105 1.00 0.00 C ATOM 694 O LYS A 77 6.253 16.272 5.179 1.00 0.00 O ATOM 695 CB LYS A 77 6.563 17.863 7.565 1.00 0.00 C ATOM 696 CG LYS A 77 5.171 17.380 8.019 1.00 0.00 C ATOM 697 CD LYS A 77 5.211 16.662 9.376 1.00 0.00 C ATOM 698 CE LYS A 77 5.094 17.599 10.586 1.00 0.00 C ATOM 699 NZ LYS A 77 3.763 18.255 10.653 1.00 0.00 N ATOM 0 H LYS A 77 5.137 19.813 6.767 1.00 0.00 H new ATOM 0 HA LYS A 77 7.613 18.593 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.261 17.028 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.921 18.619 8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.497 18.234 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.761 16.706 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.400 15.935 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.144 16.103 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.266 17.033 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.872 18.361 10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.621 18.656 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.715 19.015 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.020 17.554 10.459 1.00 0.00 H new ATOM 713 N THR A 78 5.199 17.972 4.162 1.00 0.00 N ATOM 714 CA THR A 78 4.548 17.191 3.103 1.00 0.00 C ATOM 715 C THR A 78 5.152 17.535 1.734 1.00 0.00 C ATOM 716 O THR A 78 4.567 18.298 0.963 1.00 0.00 O ATOM 717 CB THR A 78 3.027 17.386 3.115 1.00 0.00 C ATOM 718 OG1 THR A 78 2.681 18.737 3.269 1.00 0.00 O ATOM 719 CG2 THR A 78 2.335 16.538 4.185 1.00 0.00 C ATOM 0 H THR A 78 4.978 18.966 4.111 1.00 0.00 H new ATOM 0 HA THR A 78 4.733 16.135 3.297 1.00 0.00 H new ATOM 0 HB THR A 78 2.671 17.044 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.708 18.835 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.260 16.714 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.536 15.483 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.716 16.812 5.169 1.00 0.00 H new ATOM 727 N PRO A 79 6.336 16.983 1.406 1.00 0.00 N ATOM 728 CA PRO A 79 6.936 17.161 0.094 1.00 0.00 C ATOM 729 C PRO A 79 6.098 16.458 -0.976 1.00 0.00 C ATOM 730 O PRO A 79 5.439 15.446 -0.713 1.00 0.00 O ATOM 731 CB PRO A 79 8.345 16.564 0.198 1.00 0.00 C ATOM 732 CG PRO A 79 8.210 15.511 1.291 1.00 0.00 C ATOM 733 CD PRO A 79 7.160 16.107 2.225 1.00 0.00 C ATOM 0 HA PRO A 79 6.981 18.210 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.664 16.123 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.083 17.322 0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.890 14.551 0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.156 15.341 1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.557 15.323 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.631 16.662 3.036 1.00 0.00 H new ATOM 849 N VAL A 86 1.577 8.868 -1.328 1.00 0.00 N ATOM 850 CA VAL A 86 0.336 8.683 -0.563 1.00 0.00 C ATOM 851 C VAL A 86 -0.834 8.416 -1.512 1.00 0.00 C ATOM 852 O VAL A 86 -1.437 7.345 -1.454 1.00 0.00 O ATOM 853 CB VAL A 86 0.043 9.894 0.350 1.00 0.00 C ATOM 854 CG1 VAL A 86 -1.285 9.731 1.098 1.00 0.00 C ATOM 855 CG2 VAL A 86 1.146 10.153 1.389 1.00 0.00 C ATOM 0 HA VAL A 86 0.466 7.816 0.085 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.005 10.747 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.456 10.603 1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.099 9.639 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.246 8.835 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.877 11.017 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.255 9.278 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.089 10.348 0.878 1.00 0.00 H new ATOM 865 N SER A 87 -1.155 9.377 -2.391 1.00 0.00 N ATOM 866 CA SER A 87 -2.291 9.250 -3.309 1.00 0.00 C ATOM 867 C SER A 87 -2.137 8.026 -4.211 1.00 0.00 C ATOM 868 O SER A 87 -3.056 7.212 -4.285 1.00 0.00 O ATOM 869 CB SER A 87 -2.467 10.521 -4.145 1.00 0.00 C ATOM 870 OG SER A 87 -3.786 10.601 -4.654 1.00 0.00 O ATOM 0 H SER A 87 -0.640 10.253 -2.484 1.00 0.00 H new ATOM 0 HA SER A 87 -3.189 9.113 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.253 11.398 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.752 10.524 -4.968 1.00 0.00 H new ATOM 0 HG SER A 87 -3.883 11.419 -5.184 1.00 0.00 H new ATOM 876 N LEU A 88 -0.976 7.872 -4.864 1.00 0.00 N ATOM 877 CA LEU A 88 -0.674 6.721 -5.713 1.00 0.00 C ATOM 878 C LEU A 88 -0.898 5.403 -4.971 1.00 0.00 C ATOM 879 O LEU A 88 -1.666 4.573 -5.453 1.00 0.00 O ATOM 880 CB LEU A 88 0.765 6.817 -6.250 1.00 0.00 C ATOM 881 CG LEU A 88 0.914 7.751 -7.464 1.00 0.00 C ATOM 882 CD1 LEU A 88 2.398 8.028 -7.712 1.00 0.00 C ATOM 883 CD2 LEU A 88 0.334 7.110 -8.732 1.00 0.00 C ATOM 0 H LEU A 88 -0.217 8.551 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.361 6.735 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.418 7.168 -5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.107 5.820 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 88 0.373 8.672 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.506 8.689 -8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.832 8.503 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.915 7.089 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.454 7.793 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.861 6.179 -8.943 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.725 6.901 -8.582 1.00 0.00 H new ATOM 895 N PHE A 89 -0.277 5.222 -3.800 1.00 0.00 N ATOM 896 CA PHE A 89 -0.401 4.017 -2.982 1.00 0.00 C ATOM 897 C PHE A 89 -1.862 3.625 -2.746 1.00 0.00 C ATOM 898 O PHE A 89 -2.200 2.462 -2.947 1.00 0.00 O ATOM 899 CB PHE A 89 0.349 4.206 -1.656 1.00 0.00 C ATOM 900 CG PHE A 89 0.186 3.050 -0.691 1.00 0.00 C ATOM 901 CD1 PHE A 89 0.790 1.811 -0.973 1.00 0.00 C ATOM 902 CD2 PHE A 89 -0.592 3.205 0.473 1.00 0.00 C ATOM 903 CE1 PHE A 89 0.620 0.730 -0.090 1.00 0.00 C ATOM 904 CE2 PHE A 89 -0.762 2.122 1.352 1.00 0.00 C ATOM 905 CZ PHE A 89 -0.156 0.886 1.071 1.00 0.00 C ATOM 0 H PHE A 89 0.337 5.925 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 89 0.054 3.191 -3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.410 4.345 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.004 5.119 -1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.384 1.690 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.057 4.155 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.086 -0.220 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.359 2.240 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.287 0.055 1.748 1.00 0.00 H new ATOM 915 N LEU A 90 -2.730 4.581 -2.386 1.00 0.00 N ATOM 916 CA LEU A 90 -4.165 4.347 -2.191 1.00 0.00 C ATOM 917 C LEU A 90 -4.831 3.737 -3.440 1.00 0.00 C ATOM 918 O LEU A 90 -5.498 2.704 -3.351 1.00 0.00 O ATOM 919 CB LEU A 90 -4.859 5.671 -1.836 1.00 0.00 C ATOM 920 CG LEU A 90 -4.403 6.326 -0.521 1.00 0.00 C ATOM 921 CD1 LEU A 90 -4.710 7.831 -0.569 1.00 0.00 C ATOM 922 CD2 LEU A 90 -5.077 5.663 0.680 1.00 0.00 C ATOM 0 H LEU A 90 -2.451 5.548 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.273 3.631 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.694 6.377 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.933 5.494 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.328 6.189 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.388 8.298 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.178 8.284 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.782 7.980 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.739 6.143 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.159 5.767 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.815 4.605 0.706 1.00 0.00 H new ATOM 934 N ILE A 91 -4.657 4.377 -4.605 1.00 0.00 N ATOM 935 CA ILE A 91 -5.247 3.911 -5.871 1.00 0.00 C ATOM 936 C ILE A 91 -4.646 2.570 -6.306 1.00 0.00 C ATOM 937 O ILE A 91 -5.376 1.674 -6.746 1.00 0.00 O ATOM 938 CB ILE A 91 -5.070 4.965 -6.988 1.00 0.00 C ATOM 939 CG1 ILE A 91 -5.789 6.295 -6.637 1.00 0.00 C ATOM 940 CG2 ILE A 91 -5.606 4.420 -8.325 1.00 0.00 C ATOM 941 CD1 ILE A 91 -4.870 7.526 -6.662 1.00 0.00 C ATOM 0 H ILE A 91 -4.105 5.230 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.314 3.766 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.004 5.171 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.607 6.451 -7.340 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.233 6.206 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.475 5.172 -9.103 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.057 3.518 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.665 4.184 -8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.446 8.415 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.066 7.394 -5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.446 7.643 -7.659 1.00 0.00 H new ATOM 953 N ILE A 92 -3.320 2.425 -6.198 1.00 0.00 N ATOM 954 CA ILE A 92 -2.605 1.189 -6.527 1.00 0.00 C ATOM 955 C ILE A 92 -3.116 0.043 -5.643 1.00 0.00 C ATOM 956 O ILE A 92 -3.424 -1.024 -6.165 1.00 0.00 O ATOM 957 CB ILE A 92 -1.076 1.382 -6.421 1.00 0.00 C ATOM 958 CG1 ILE A 92 -0.559 2.426 -7.440 1.00 0.00 C ATOM 959 CG2 ILE A 92 -0.364 0.040 -6.671 1.00 0.00 C ATOM 960 CD1 ILE A 92 0.797 3.018 -7.029 1.00 0.00 C ATOM 0 H ILE A 92 -2.707 3.173 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.807 0.924 -7.565 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.858 1.746 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.467 1.959 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.290 3.229 -7.537 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.714 0.181 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.688 -0.688 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.613 -0.324 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.118 3.745 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.701 3.510 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.536 2.220 -6.959 1.00 0.00 H new ATOM 972 N LEU A 93 -3.284 0.278 -4.335 1.00 0.00 N ATOM 973 CA LEU A 93 -3.926 -0.643 -3.397 1.00 0.00 C ATOM 974 C LEU A 93 -5.335 -1.027 -3.871 1.00 0.00 C ATOM 975 O LEU A 93 -5.603 -2.214 -4.050 1.00 0.00 O ATOM 976 CB LEU A 93 -3.884 -0.018 -1.983 1.00 0.00 C ATOM 977 CG LEU A 93 -4.858 -0.588 -0.936 1.00 0.00 C ATOM 978 CD1 LEU A 93 -4.688 -2.096 -0.754 1.00 0.00 C ATOM 979 CD2 LEU A 93 -4.669 0.111 0.413 1.00 0.00 C ATOM 0 H LEU A 93 -2.967 1.140 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.382 -1.587 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.871 -0.125 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.078 1.050 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.866 -0.402 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.395 -2.454 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.876 -2.600 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.672 -2.310 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.366 -0.306 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.648 -0.041 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.858 1.178 0.299 1.00 0.00 H new ATOM 991 N HIS A 94 -6.230 -0.053 -4.083 1.00 0.00 N ATOM 992 CA HIS A 94 -7.627 -0.323 -4.449 1.00 0.00 C ATOM 993 C HIS A 94 -7.740 -1.111 -5.769 1.00 0.00 C ATOM 994 O HIS A 94 -8.435 -2.128 -5.840 1.00 0.00 O ATOM 995 CB HIS A 94 -8.411 0.999 -4.509 1.00 0.00 C ATOM 996 CG HIS A 94 -9.891 0.860 -4.225 1.00 0.00 C ATOM 997 ND1 HIS A 94 -10.612 1.662 -3.367 1.00 0.00 N ATOM 998 CD2 HIS A 94 -10.757 -0.075 -4.734 1.00 0.00 C ATOM 999 CE1 HIS A 94 -11.881 1.215 -3.355 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -12.015 0.159 -4.174 1.00 0.00 N ATOM 0 H HIS A 94 -6.008 0.940 -4.006 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.066 -0.957 -3.679 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.979 1.696 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -8.283 1.439 -5.498 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.510 -0.853 -5.441 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.680 1.645 -2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.869 -0.369 -4.352 1.00 0.00 H new ATOM 1008 N SER A 95 -7.034 -0.654 -6.810 1.00 0.00 N ATOM 1009 CA SER A 95 -6.978 -1.316 -8.117 1.00 0.00 C ATOM 1010 C SER A 95 -6.386 -2.731 -8.027 1.00 0.00 C ATOM 1011 O SER A 95 -7.017 -3.676 -8.505 1.00 0.00 O ATOM 1012 CB SER A 95 -6.244 -0.448 -9.151 1.00 0.00 C ATOM 1013 OG SER A 95 -4.985 0.000 -8.696 1.00 0.00 O ATOM 0 H SER A 95 -6.477 0.199 -6.766 1.00 0.00 H new ATOM 0 HA SER A 95 -8.005 -1.435 -8.462 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.111 -1.020 -10.069 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.863 0.414 -9.400 1.00 0.00 H new ATOM 0 HG SER A 95 -5.095 0.841 -8.205 1.00 0.00 H new ATOM 1019 N ALA A 96 -5.227 -2.905 -7.375 1.00 0.00 N ATOM 1020 CA ALA A 96 -4.611 -4.217 -7.164 1.00 0.00 C ATOM 1021 C ALA A 96 -5.507 -5.173 -6.353 1.00 0.00 C ATOM 1022 O ALA A 96 -5.578 -6.363 -6.674 1.00 0.00 O ATOM 1023 CB ALA A 96 -3.251 -4.036 -6.480 1.00 0.00 C ATOM 0 H ALA A 96 -4.690 -2.134 -6.978 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.475 -4.681 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.791 -5.011 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.604 -3.427 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.390 -3.540 -5.519 1.00 0.00 H new ATOM 1029 N LEU A 97 -6.220 -4.659 -5.337 1.00 0.00 N ATOM 1030 CA LEU A 97 -7.211 -5.422 -4.577 1.00 0.00 C ATOM 1031 C LEU A 97 -8.316 -5.955 -5.481 1.00 0.00 C ATOM 1032 O LEU A 97 -8.528 -7.166 -5.539 1.00 0.00 O ATOM 1033 CB LEU A 97 -7.824 -4.584 -3.438 1.00 0.00 C ATOM 1034 CG LEU A 97 -7.126 -4.766 -2.083 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -7.804 -3.857 -1.053 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -7.178 -6.221 -1.589 1.00 0.00 C ATOM 0 H LEU A 97 -6.120 -3.694 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.684 -6.268 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.787 -3.531 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.876 -4.849 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.076 -4.502 -2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.317 -3.977 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.722 -2.819 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.856 -4.128 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.671 -6.297 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.217 -6.530 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.683 -6.869 -2.312 1.00 0.00 H new ATOM 1048 N TYR A 98 -9.025 -5.062 -6.179 1.00 0.00 N ATOM 1049 CA TYR A 98 -10.129 -5.470 -7.043 1.00 0.00 C ATOM 1050 C TYR A 98 -9.648 -6.440 -8.136 1.00 0.00 C ATOM 1051 O TYR A 98 -10.310 -7.439 -8.403 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.817 -4.229 -7.625 1.00 0.00 C ATOM 1053 CG TYR A 98 -12.306 -4.407 -7.857 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -12.765 -5.212 -8.915 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -13.233 -3.769 -7.009 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -14.145 -5.364 -9.143 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -14.615 -3.915 -7.234 1.00 0.00 C ATOM 1058 CZ TYR A 98 -15.074 -4.703 -8.309 1.00 0.00 C ATOM 1059 OH TYR A 98 -16.407 -4.805 -8.555 1.00 0.00 O ATOM 0 H TYR A 98 -8.852 -4.057 -6.161 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.865 -6.014 -6.451 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.662 -3.388 -6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.340 -3.970 -8.570 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.055 -5.715 -9.555 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.882 -3.166 -6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.494 -5.985 -9.955 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -15.323 -3.424 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 98 -16.904 -4.290 -7.885 1.00 0.00 H new ATOM 1069 N PHE A 99 -8.460 -6.203 -8.710 1.00 0.00 N ATOM 1070 CA PHE A 99 -7.824 -7.106 -9.668 1.00 0.00 C ATOM 1071 C PHE A 99 -7.658 -8.526 -9.111 1.00 0.00 C ATOM 1072 O PHE A 99 -8.187 -9.481 -9.689 1.00 0.00 O ATOM 1073 CB PHE A 99 -6.475 -6.523 -10.104 1.00 0.00 C ATOM 1074 CG PHE A 99 -5.683 -7.459 -10.994 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -6.149 -7.751 -12.289 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -4.517 -8.085 -10.509 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -5.449 -8.660 -13.101 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -3.814 -8.990 -11.325 1.00 0.00 C ATOM 1079 CZ PHE A 99 -4.280 -9.277 -12.620 1.00 0.00 C ATOM 0 H PHE A 99 -7.910 -5.366 -8.516 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.478 -7.192 -10.536 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.645 -5.585 -10.633 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.885 -6.287 -9.219 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.045 -7.276 -12.660 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.163 -7.870 -9.511 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.809 -8.885 -14.094 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.916 -9.464 -10.957 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.740 -9.972 -13.246 1.00 0.00 H new ATOM 1089 N LYS A 100 -6.948 -8.675 -7.979 1.00 0.00 N ATOM 1090 CA LYS A 100 -6.748 -9.988 -7.353 1.00 0.00 C ATOM 1091 C LYS A 100 -8.076 -10.639 -6.962 1.00 0.00 C ATOM 1092 O LYS A 100 -8.193 -11.855 -7.029 1.00 0.00 O ATOM 1093 CB LYS A 100 -5.744 -9.895 -6.190 1.00 0.00 C ATOM 1094 CG LYS A 100 -6.371 -9.758 -4.790 1.00 0.00 C ATOM 1095 CD LYS A 100 -5.415 -9.104 -3.787 1.00 0.00 C ATOM 1096 CE LYS A 100 -5.418 -9.848 -2.451 1.00 0.00 C ATOM 1097 NZ LYS A 100 -4.491 -9.207 -1.489 1.00 0.00 N ATOM 0 H LYS A 100 -6.505 -7.902 -7.482 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.304 -10.656 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.115 -10.785 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.091 -9.040 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.283 -9.165 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.659 -10.744 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.405 -9.093 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.706 -8.066 -3.628 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.427 -9.859 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.126 -10.886 -2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.509 -9.728 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.526 -9.219 -1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.786 -8.223 -1.325 1.00 0.00 H new ATOM 1111 N TYR A 101 -9.084 -9.842 -6.597 1.00 0.00 N ATOM 1112 CA TYR A 101 -10.410 -10.332 -6.238 1.00 0.00 C ATOM 1113 C TYR A 101 -11.156 -10.922 -7.440 1.00 0.00 C ATOM 1114 O TYR A 101 -11.750 -11.991 -7.321 1.00 0.00 O ATOM 1115 CB TYR A 101 -11.205 -9.197 -5.587 1.00 0.00 C ATOM 1116 CG TYR A 101 -12.466 -9.662 -4.894 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -12.369 -10.529 -3.789 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -13.728 -9.219 -5.338 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -13.530 -10.942 -3.112 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -14.893 -9.623 -4.657 1.00 0.00 C ATOM 1121 CZ TYR A 101 -14.793 -10.474 -3.532 1.00 0.00 C ATOM 1122 OH TYR A 101 -15.903 -10.817 -2.827 1.00 0.00 O ATOM 0 H TYR A 101 -8.997 -8.827 -6.543 1.00 0.00 H new ATOM 0 HA TYR A 101 -10.296 -11.148 -5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.569 -8.688 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -11.469 -8.465 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.401 -10.878 -3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -13.802 -8.571 -6.199 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -13.455 -11.616 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -15.861 -9.283 -4.994 1.00 0.00 H new ATOM 0 HH TYR A 101 -16.693 -10.414 -3.244 1.00 0.00 H new ATOM 1132 N LEU A 102 -11.078 -10.275 -8.610 1.00 0.00 N ATOM 1133 CA LEU A 102 -11.631 -10.831 -9.847 1.00 0.00 C ATOM 1134 C LEU A 102 -10.881 -12.095 -10.288 1.00 0.00 C ATOM 1135 O LEU A 102 -11.525 -13.076 -10.663 1.00 0.00 O ATOM 1136 CB LEU A 102 -11.631 -9.773 -10.964 1.00 0.00 C ATOM 1137 CG LEU A 102 -12.550 -8.564 -10.707 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -12.513 -7.620 -11.914 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -13.998 -8.977 -10.416 1.00 0.00 C ATOM 0 H LEU A 102 -10.635 -9.363 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.662 -11.121 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.612 -9.414 -11.105 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.933 -10.249 -11.897 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.175 -8.055 -9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.164 -6.766 -11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.493 -7.271 -12.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.856 -8.151 -12.802 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.602 -8.087 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.398 -9.526 -11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -14.024 -9.612 -9.530 1.00 0.00 H new ATOM 1151 N LEU A 103 -9.539 -12.094 -10.227 1.00 0.00 N ATOM 1152 CA LEU A 103 -8.732 -13.255 -10.623 1.00 0.00 C ATOM 1153 C LEU A 103 -8.811 -14.415 -9.610 1.00 0.00 C ATOM 1154 O LEU A 103 -8.713 -15.565 -10.026 1.00 0.00 O ATOM 1155 CB LEU A 103 -7.291 -12.818 -10.985 1.00 0.00 C ATOM 1156 CG LEU A 103 -6.221 -13.080 -9.903 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -5.660 -14.510 -9.983 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -5.059 -12.091 -10.018 1.00 0.00 C ATOM 0 H LEU A 103 -8.990 -11.297 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.164 -13.675 -11.531 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.993 -13.334 -11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.300 -11.752 -11.210 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.721 -12.948 -8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.911 -14.651 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.469 -15.227 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.202 -14.667 -10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.323 -12.302 -9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.592 -12.191 -10.998 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.433 -11.074 -9.896 1.00 0.00 H new