USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 806 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 105 THR OG1 : rot 160:sc= 0.757 USER MOD Set 1.2: A 109 CYS SG : rot 94:sc= 0.522 USER MOD Set 2.1: A 38 SER OG : rot 17:sc= 0.953 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 ASN : amide:sc= 1.16 K(o=1.2,f=-0.23) USER MOD Set 3.2: A 28 SER OG : rot -146:sc= 0.0272 USER MOD Single : A 14 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.021) USER MOD Single : A 19 THR OG1 : rot -174:sc= 0.46 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.0531 (180deg=-0.387) USER MOD Single : A 26 SER OG : rot -42:sc= 0.206 USER MOD Single : A 27 SER OG : rot -77:sc= -1.03 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00966 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -30:sc= 0.105 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.98! C(o=-2!,f=-4.8!) USER MOD Single : A 54 SER OG : rot -84:sc= 0.635 USER MOD Single : A 56 ASN : amide:sc= -0.309 K(o=-0.31,f=-2!) USER MOD Single : A 57 TYR OH : rot 30:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -48:sc= 0.0758 USER MOD Single : A 64 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.1) USER MOD Single : A 66 ASN : amide:sc= -2.32 K(o=-2.3,f=-1.8) USER MOD Single : A 72 ASN : amide:sc= -0.639 K(o=-0.64,f=-0.1) USER MOD Single : A 73 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -127:sc= 0.29 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -124:sc= -0.123 (180deg=-1.44!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.901 K(o=-0.9,f=-2!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ASP A 10 13.054 3.602 6.565 1.00 0.00 N ATOM 93 CA ASP A 10 12.748 4.761 5.736 1.00 0.00 C ATOM 94 C ASP A 10 12.504 4.346 4.289 1.00 0.00 C ATOM 95 O ASP A 10 12.039 5.143 3.473 1.00 0.00 O ATOM 96 CB ASP A 10 13.888 5.778 5.803 1.00 0.00 C ATOM 97 CG ASP A 10 14.430 5.951 7.208 1.00 0.00 C ATOM 98 OD1 ASP A 10 15.075 5.008 7.714 1.00 0.00 O ATOM 99 OD2 ASP A 10 14.209 7.026 7.803 1.00 0.00 O ATOM 0 HA ASP A 10 11.838 5.221 6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.694 5.459 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.534 6.740 5.432 1.00 0.00 H new ATOM 104 N ILE A 11 12.823 3.095 3.977 1.00 0.00 N ATOM 105 CA ILE A 11 12.638 2.574 2.628 1.00 0.00 C ATOM 106 C ILE A 11 11.166 2.301 2.341 1.00 0.00 C ATOM 107 O ILE A 11 10.776 2.091 1.191 1.00 0.00 O ATOM 108 CB ILE A 11 13.441 1.277 2.411 1.00 0.00 C ATOM 109 CG1 ILE A 11 13.423 0.882 0.933 1.00 0.00 C ATOM 110 CG2 ILE A 11 12.878 0.156 3.271 1.00 0.00 C ATOM 111 CD1 ILE A 11 14.527 -0.080 0.551 1.00 0.00 C ATOM 0 H ILE A 11 13.211 2.423 4.639 1.00 0.00 H new ATOM 0 HA ILE A 11 13.004 3.338 1.942 1.00 0.00 H new ATOM 0 HB ILE A 11 14.475 1.453 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.460 0.429 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.509 1.782 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.456 -0.754 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.937 0.439 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 11 11.837 -0.022 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.453 -0.316 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.495 0.378 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.430 -0.996 1.134 1.00 0.00 H new ATOM 123 N ILE A 12 10.353 2.307 3.391 1.00 0.00 N ATOM 124 CA ILE A 12 8.923 2.064 3.251 1.00 0.00 C ATOM 125 C ILE A 12 8.288 3.055 2.281 1.00 0.00 C ATOM 126 O ILE A 12 7.363 2.715 1.545 1.00 0.00 O ATOM 127 CB ILE A 12 8.200 2.155 4.607 1.00 0.00 C ATOM 128 CG1 ILE A 12 8.861 1.224 5.625 1.00 0.00 C ATOM 129 CG2 ILE A 12 6.727 1.814 4.447 1.00 0.00 C ATOM 130 CD1 ILE A 12 8.605 1.621 7.063 1.00 0.00 C ATOM 0 H ILE A 12 10.660 2.478 4.349 1.00 0.00 H new ATOM 0 HA ILE A 12 8.813 1.053 2.858 1.00 0.00 H new ATOM 0 HB ILE A 12 8.277 3.178 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.497 0.209 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.936 1.209 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.230 1.883 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.265 2.514 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.628 0.800 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.103 0.917 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.994 2.624 7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.533 1.608 7.259 1.00 0.00 H new ATOM 142 N VAL A 13 8.795 4.284 2.286 1.00 0.00 N ATOM 143 CA VAL A 13 8.281 5.327 1.405 1.00 0.00 C ATOM 144 C VAL A 13 9.004 5.318 0.063 1.00 0.00 C ATOM 145 O VAL A 13 8.375 5.389 -0.992 1.00 0.00 O ATOM 146 CB VAL A 13 8.422 6.721 2.044 1.00 0.00 C ATOM 147 CG1 VAL A 13 7.852 7.790 1.123 1.00 0.00 C ATOM 148 CG2 VAL A 13 7.738 6.757 3.402 1.00 0.00 C ATOM 0 H VAL A 13 9.561 4.582 2.890 1.00 0.00 H new ATOM 0 HA VAL A 13 7.224 5.115 1.246 1.00 0.00 H new ATOM 0 HB VAL A 13 9.482 6.928 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.960 8.769 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.391 7.779 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.796 7.589 0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.848 7.750 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.679 6.529 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.196 6.019 4.060 1.00 0.00 H new ATOM 158 N ASN A 14 10.329 5.231 0.112 1.00 0.00 N ATOM 159 CA ASN A 14 11.140 5.213 -1.100 1.00 0.00 C ATOM 160 C ASN A 14 10.706 4.083 -2.028 1.00 0.00 C ATOM 161 O ASN A 14 10.422 4.305 -3.205 1.00 0.00 O ATOM 162 CB ASN A 14 12.620 5.060 -0.747 1.00 0.00 C ATOM 163 CG ASN A 14 13.533 5.559 -1.852 1.00 0.00 C ATOM 164 OD1 ASN A 14 14.398 4.828 -2.334 1.00 0.00 O ATOM 165 ND2 ASN A 14 13.342 6.808 -2.257 1.00 0.00 N ATOM 0 H ASN A 14 10.864 5.172 0.978 1.00 0.00 H new ATOM 0 HA ASN A 14 10.995 6.161 -1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.831 5.610 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.836 4.011 -0.547 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.925 7.199 -2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.612 7.377 -1.828 1.00 0.00 H new ATOM 172 N TRP A 15 10.659 2.870 -1.489 1.00 0.00 N ATOM 173 CA TRP A 15 10.261 1.702 -2.268 1.00 0.00 C ATOM 174 C TRP A 15 8.915 1.935 -2.948 1.00 0.00 C ATOM 175 O TRP A 15 8.799 1.821 -4.168 1.00 0.00 O ATOM 176 CB TRP A 15 10.184 0.466 -1.371 1.00 0.00 C ATOM 177 CG TRP A 15 9.864 -0.792 -2.119 1.00 0.00 C ATOM 178 CD1 TRP A 15 10.632 -1.396 -3.074 1.00 0.00 C ATOM 179 CD2 TRP A 15 8.691 -1.601 -1.975 1.00 0.00 C ATOM 180 NE1 TRP A 15 10.008 -2.530 -3.532 1.00 0.00 N ATOM 181 CE2 TRP A 15 8.816 -2.679 -2.874 1.00 0.00 C ATOM 182 CE3 TRP A 15 7.549 -1.520 -1.175 1.00 0.00 C ATOM 183 CZ2 TRP A 15 7.841 -3.665 -2.992 1.00 0.00 C ATOM 184 CZ3 TRP A 15 6.582 -2.500 -1.293 1.00 0.00 C ATOM 185 CH2 TRP A 15 6.732 -3.560 -2.196 1.00 0.00 C ATOM 0 H TRP A 15 10.891 2.669 -0.516 1.00 0.00 H new ATOM 0 HA TRP A 15 11.014 1.537 -3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.136 0.341 -0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 15 9.425 0.628 -0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 15 11.590 -1.034 -3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 15 10.373 -3.160 -4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 15 7.424 -0.706 -0.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.955 -4.484 -3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.695 -2.448 -0.678 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.957 -4.309 -2.266 1.00 0.00 H new ATOM 196 N VAL A 16 7.903 2.263 -2.151 1.00 0.00 N ATOM 197 CA VAL A 16 6.567 2.514 -2.679 1.00 0.00 C ATOM 198 C VAL A 16 6.619 3.426 -3.899 1.00 0.00 C ATOM 199 O VAL A 16 5.942 3.182 -4.897 1.00 0.00 O ATOM 200 CB VAL A 16 5.654 3.152 -1.613 1.00 0.00 C ATOM 201 CG1 VAL A 16 4.265 3.399 -2.179 1.00 0.00 C ATOM 202 CG2 VAL A 16 5.586 2.271 -0.375 1.00 0.00 C ATOM 0 H VAL A 16 7.983 2.361 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 16 6.155 1.548 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 16 6.078 4.114 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.635 3.850 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.335 4.072 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.828 2.452 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.937 2.736 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.186 1.294 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.586 2.151 0.041 1.00 0.00 H new ATOM 212 N ASN A 17 7.427 4.477 -3.811 1.00 0.00 N ATOM 213 CA ASN A 17 7.568 5.426 -4.910 1.00 0.00 C ATOM 214 C ASN A 17 8.094 4.734 -6.164 1.00 0.00 C ATOM 215 O ASN A 17 7.436 4.731 -7.203 1.00 0.00 O ATOM 216 CB ASN A 17 8.509 6.564 -4.509 1.00 0.00 C ATOM 217 CG ASN A 17 7.787 7.685 -3.786 1.00 0.00 C ATOM 218 OD1 ASN A 17 7.651 8.790 -4.310 1.00 0.00 O ATOM 219 ND2 ASN A 17 7.321 7.402 -2.575 1.00 0.00 N ATOM 0 H ASN A 17 7.994 4.693 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 17 6.583 5.837 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.298 6.171 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.993 6.963 -5.401 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.827 8.115 -2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.457 6.471 -2.181 1.00 0.00 H new ATOM 226 N GLU A 18 9.282 4.148 -6.055 1.00 0.00 N ATOM 227 CA GLU A 18 9.895 3.452 -7.181 1.00 0.00 C ATOM 228 C GLU A 18 8.953 2.392 -7.743 1.00 0.00 C ATOM 229 O GLU A 18 8.562 2.447 -8.910 1.00 0.00 O ATOM 230 CB GLU A 18 11.213 2.804 -6.751 1.00 0.00 C ATOM 231 CG GLU A 18 12.421 3.712 -6.920 1.00 0.00 C ATOM 232 CD GLU A 18 12.963 3.705 -8.336 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.527 2.672 -8.750 1.00 0.00 O ATOM 234 OE2 GLU A 18 12.822 4.735 -9.028 1.00 0.00 O ATOM 0 H GLU A 18 9.839 4.141 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 18 10.097 4.184 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.137 2.505 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.368 1.895 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.146 4.730 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.206 3.397 -6.233 1.00 0.00 H new ATOM 241 N THR A 19 8.594 1.425 -6.905 1.00 0.00 N ATOM 242 CA THR A 19 7.700 0.350 -7.317 1.00 0.00 C ATOM 243 C THR A 19 6.598 0.872 -8.233 1.00 0.00 C ATOM 244 O THR A 19 6.261 0.242 -9.238 1.00 0.00 O ATOM 245 CB THR A 19 7.056 -0.343 -6.102 1.00 0.00 C ATOM 246 OG1 THR A 19 8.069 -0.936 -5.283 1.00 0.00 O ATOM 247 CG2 THR A 19 6.067 -1.410 -6.548 1.00 0.00 C ATOM 0 H THR A 19 8.909 1.364 -5.937 1.00 0.00 H new ATOM 0 HA THR A 19 8.307 -0.375 -7.859 1.00 0.00 H new ATOM 0 HB THR A 19 6.518 0.409 -5.525 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.648 -1.453 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.625 -1.885 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.281 -0.950 -7.147 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.586 -2.160 -7.145 1.00 0.00 H new ATOM 255 N LEU A 20 6.040 2.025 -7.883 1.00 0.00 N ATOM 256 CA LEU A 20 4.976 2.633 -8.674 1.00 0.00 C ATOM 257 C LEU A 20 5.537 3.273 -9.939 1.00 0.00 C ATOM 258 O LEU A 20 4.957 3.151 -11.019 1.00 0.00 O ATOM 259 CB LEU A 20 4.232 3.681 -7.845 1.00 0.00 C ATOM 260 CG LEU A 20 3.420 3.149 -6.663 1.00 0.00 C ATOM 261 CD1 LEU A 20 3.057 4.280 -5.713 1.00 0.00 C ATOM 262 CD2 LEU A 20 2.168 2.438 -7.153 1.00 0.00 C ATOM 0 H LEU A 20 6.307 2.558 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 20 4.279 1.847 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.959 4.399 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.559 4.227 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 20 4.033 2.429 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.480 3.883 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.968 4.745 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.463 5.024 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.603 2.066 -6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.552 3.136 -7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.451 1.602 -7.792 1.00 0.00 H new ATOM 274 N ARG A 21 6.670 3.954 -9.800 1.00 0.00 N ATOM 275 CA ARG A 21 7.309 4.613 -10.932 1.00 0.00 C ATOM 276 C ARG A 21 7.617 3.611 -12.041 1.00 0.00 C ATOM 277 O ARG A 21 7.281 3.835 -13.203 1.00 0.00 O ATOM 278 CB ARG A 21 8.596 5.308 -10.484 1.00 0.00 C ATOM 279 CG ARG A 21 9.227 6.176 -11.562 1.00 0.00 C ATOM 280 CD ARG A 21 10.202 5.382 -12.418 1.00 0.00 C ATOM 281 NE ARG A 21 9.546 4.775 -13.573 1.00 0.00 N ATOM 282 CZ ARG A 21 9.260 5.438 -14.689 1.00 0.00 C ATOM 283 NH1 ARG A 21 9.572 6.722 -14.799 1.00 0.00 N ATOM 284 NH2 ARG A 21 8.664 4.816 -15.697 1.00 0.00 N ATOM 0 H ARG A 21 7.164 4.064 -8.914 1.00 0.00 H new ATOM 0 HA ARG A 21 6.619 5.360 -11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.381 5.926 -9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.316 4.553 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.446 6.597 -12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.748 7.014 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.003 6.038 -12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.665 4.603 -11.813 1.00 0.00 H new ATOM 0 HE ARG A 21 9.293 3.788 -13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.032 7.203 -14.026 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.352 7.229 -15.656 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.425 3.828 -15.616 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.445 5.326 -16.553 1.00 0.00 H new ATOM 298 N GLU A 22 8.261 2.508 -11.672 1.00 0.00 N ATOM 299 CA GLU A 22 8.616 1.473 -12.636 1.00 0.00 C ATOM 300 C GLU A 22 7.375 0.948 -13.351 1.00 0.00 C ATOM 301 O GLU A 22 7.427 0.600 -14.531 1.00 0.00 O ATOM 302 CB GLU A 22 9.342 0.320 -11.937 1.00 0.00 C ATOM 303 CG GLU A 22 10.583 0.755 -11.177 1.00 0.00 C ATOM 304 CD GLU A 22 11.834 0.714 -12.032 1.00 0.00 C ATOM 305 OE1 GLU A 22 12.222 -0.393 -12.461 1.00 0.00 O ATOM 306 OE2 GLU A 22 12.426 1.787 -12.272 1.00 0.00 O ATOM 0 H GLU A 22 8.547 2.308 -10.714 1.00 0.00 H new ATOM 0 HA GLU A 22 9.282 1.915 -13.377 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.654 -0.165 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.624 -0.425 -12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.438 1.768 -10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.719 0.109 -10.310 1.00 0.00 H new ATOM 313 N ALA A 23 6.261 0.892 -12.629 1.00 0.00 N ATOM 314 CA ALA A 23 5.006 0.411 -13.194 1.00 0.00 C ATOM 315 C ALA A 23 4.253 1.536 -13.896 1.00 0.00 C ATOM 316 O ALA A 23 3.243 1.300 -14.558 1.00 0.00 O ATOM 317 CB ALA A 23 4.141 -0.208 -12.107 1.00 0.00 C ATOM 0 H ALA A 23 6.202 1.174 -11.651 1.00 0.00 H new ATOM 0 HA ALA A 23 5.239 -0.353 -13.936 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.207 -0.563 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.671 -1.046 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.924 0.540 -11.345 1.00 0.00 H new ATOM 323 N GLU A 24 4.751 2.759 -13.746 1.00 0.00 N ATOM 324 CA GLU A 24 4.124 3.920 -14.365 1.00 0.00 C ATOM 325 C GLU A 24 2.773 4.217 -13.720 1.00 0.00 C ATOM 326 O GLU A 24 1.770 4.404 -14.409 1.00 0.00 O ATOM 327 CB GLU A 24 3.944 3.690 -15.868 1.00 0.00 C ATOM 328 CG GLU A 24 5.166 3.089 -16.542 1.00 0.00 C ATOM 329 CD GLU A 24 4.826 2.376 -17.836 1.00 0.00 C ATOM 330 OE1 GLU A 24 4.413 1.199 -17.774 1.00 0.00 O ATOM 331 OE2 GLU A 24 4.973 2.994 -18.911 1.00 0.00 O ATOM 0 H GLU A 24 5.587 2.971 -13.201 1.00 0.00 H new ATOM 0 HA GLU A 24 4.778 4.779 -14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.091 3.030 -16.027 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.706 4.640 -16.347 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.889 3.879 -16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.644 2.387 -15.859 1.00 0.00 H new ATOM 338 N LYS A 25 2.755 4.259 -12.392 1.00 0.00 N ATOM 339 CA LYS A 25 1.529 4.534 -11.651 1.00 0.00 C ATOM 340 C LYS A 25 1.434 6.011 -11.287 1.00 0.00 C ATOM 341 O LYS A 25 2.444 6.663 -11.029 1.00 0.00 O ATOM 342 CB LYS A 25 1.475 3.679 -10.382 1.00 0.00 C ATOM 343 CG LYS A 25 0.793 2.337 -10.582 1.00 0.00 C ATOM 344 CD LYS A 25 1.333 1.614 -11.805 1.00 0.00 C ATOM 345 CE LYS A 25 0.671 0.257 -11.988 1.00 0.00 C ATOM 346 NZ LYS A 25 0.960 -0.660 -10.850 1.00 0.00 N ATOM 0 H LYS A 25 3.576 4.106 -11.806 1.00 0.00 H new ATOM 0 HA LYS A 25 0.682 4.281 -12.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.491 3.511 -10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.949 4.232 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.940 1.717 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.281 2.486 -10.691 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.166 2.224 -12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.411 1.484 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.407 0.389 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.020 -0.195 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.684 -1.629 -11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.977 -0.635 -10.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.421 -0.357 -10.014 1.00 0.00 H new ATOM 360 N SER A 26 0.210 6.533 -11.268 1.00 0.00 N ATOM 361 CA SER A 26 -0.017 7.935 -10.938 1.00 0.00 C ATOM 362 C SER A 26 -0.259 8.108 -9.441 1.00 0.00 C ATOM 363 O SER A 26 -0.747 9.147 -8.996 1.00 0.00 O ATOM 364 CB SER A 26 -1.211 8.479 -11.725 1.00 0.00 C ATOM 365 OG SER A 26 -1.215 9.896 -11.731 1.00 0.00 O ATOM 0 H SER A 26 -0.638 6.006 -11.477 1.00 0.00 H new ATOM 0 HA SER A 26 0.876 8.497 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.175 8.108 -12.749 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.138 8.111 -11.285 1.00 0.00 H new ATOM 0 HG SER A 26 -0.983 10.228 -10.838 1.00 0.00 H new ATOM 371 N SER A 27 0.087 7.082 -8.670 1.00 0.00 N ATOM 372 CA SER A 27 -0.095 7.118 -7.223 1.00 0.00 C ATOM 373 C SER A 27 1.251 7.124 -6.506 1.00 0.00 C ATOM 374 O SER A 27 2.256 6.658 -7.044 1.00 0.00 O ATOM 375 CB SER A 27 -0.925 5.918 -6.763 1.00 0.00 C ATOM 376 OG SER A 27 -0.143 4.737 -6.737 1.00 0.00 O ATOM 0 H SER A 27 0.495 6.216 -9.023 1.00 0.00 H new ATOM 0 HA SER A 27 -0.625 8.036 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.330 6.111 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.774 5.781 -7.433 1.00 0.00 H new ATOM 0 HG SER A 27 -0.027 4.402 -7.650 1.00 0.00 H new ATOM 382 N SER A 28 1.264 7.656 -5.288 1.00 0.00 N ATOM 383 CA SER A 28 2.487 7.728 -4.497 1.00 0.00 C ATOM 384 C SER A 28 2.199 8.262 -3.098 1.00 0.00 C ATOM 385 O SER A 28 1.111 8.776 -2.829 1.00 0.00 O ATOM 386 CB SER A 28 3.517 8.619 -5.193 1.00 0.00 C ATOM 387 OG SER A 28 4.837 8.238 -4.845 1.00 0.00 O ATOM 0 H SER A 28 0.441 8.044 -4.827 1.00 0.00 H new ATOM 0 HA SER A 28 2.891 6.720 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.389 8.553 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.350 9.660 -4.915 1.00 0.00 H new ATOM 0 HG SER A 28 5.408 9.034 -4.808 1.00 0.00 H new ATOM 393 N ILE A 29 3.178 8.136 -2.210 1.00 0.00 N ATOM 394 CA ILE A 29 3.031 8.606 -0.838 1.00 0.00 C ATOM 395 C ILE A 29 4.231 9.447 -0.413 1.00 0.00 C ATOM 396 O ILE A 29 5.349 9.234 -0.883 1.00 0.00 O ATOM 397 CB ILE A 29 2.866 7.433 0.145 1.00 0.00 C ATOM 398 CG1 ILE A 29 3.944 6.375 -0.104 1.00 0.00 C ATOM 399 CG2 ILE A 29 1.479 6.824 0.016 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.334 5.605 1.138 1.00 0.00 C ATOM 0 H ILE A 29 4.083 7.712 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 29 2.131 9.221 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 29 2.982 7.811 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.586 5.674 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.830 6.860 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.378 5.996 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.727 7.581 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.336 6.458 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.102 4.873 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.722 6.295 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.460 5.091 1.537 1.00 0.00 H new ATOM 412 N SER A 30 3.991 10.402 0.481 1.00 0.00 N ATOM 413 CA SER A 30 5.051 11.276 0.968 1.00 0.00 C ATOM 414 C SER A 30 5.550 10.815 2.334 1.00 0.00 C ATOM 415 O SER A 30 6.741 10.906 2.635 1.00 0.00 O ATOM 416 CB SER A 30 4.552 12.719 1.056 1.00 0.00 C ATOM 417 OG SER A 30 4.112 13.185 -0.209 1.00 0.00 O ATOM 0 H SER A 30 3.072 10.589 0.882 1.00 0.00 H new ATOM 0 HA SER A 30 5.880 11.228 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.735 12.781 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.351 13.361 1.426 1.00 0.00 H new ATOM 0 HG SER A 30 3.796 14.109 -0.126 1.00 0.00 H new ATOM 423 N SER A 31 4.631 10.319 3.156 1.00 0.00 N ATOM 424 CA SER A 31 4.976 9.846 4.492 1.00 0.00 C ATOM 425 C SER A 31 3.846 9.005 5.078 1.00 0.00 C ATOM 426 O SER A 31 2.735 8.980 4.549 1.00 0.00 O ATOM 427 CB SER A 31 5.276 11.030 5.413 1.00 0.00 C ATOM 428 OG SER A 31 5.903 10.600 6.609 1.00 0.00 O ATOM 0 H SER A 31 3.642 10.234 2.921 1.00 0.00 H new ATOM 0 HA SER A 31 5.866 9.222 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.920 11.742 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.350 11.553 5.652 1.00 0.00 H new ATOM 0 HG SER A 31 6.086 11.375 7.180 1.00 0.00 H new ATOM 434 N PHE A 32 4.140 8.315 6.176 1.00 0.00 N ATOM 435 CA PHE A 32 3.151 7.471 6.835 1.00 0.00 C ATOM 436 C PHE A 32 1.816 8.198 6.967 1.00 0.00 C ATOM 437 O PHE A 32 0.753 7.575 6.968 1.00 0.00 O ATOM 438 CB PHE A 32 3.651 7.047 8.218 1.00 0.00 C ATOM 439 CG PHE A 32 4.504 5.811 8.194 1.00 0.00 C ATOM 440 CD1 PHE A 32 3.938 4.567 7.971 1.00 0.00 C ATOM 441 CD2 PHE A 32 5.873 5.894 8.394 1.00 0.00 C ATOM 442 CE1 PHE A 32 4.721 3.428 7.948 1.00 0.00 C ATOM 443 CE2 PHE A 32 6.661 4.759 8.372 1.00 0.00 C ATOM 444 CZ PHE A 32 6.084 3.524 8.148 1.00 0.00 C ATOM 0 H PHE A 32 5.055 8.324 6.627 1.00 0.00 H new ATOM 0 HA PHE A 32 3.002 6.583 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.223 7.865 8.655 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.794 6.874 8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.873 4.486 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.329 6.857 8.569 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.267 2.464 7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.727 4.837 8.530 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.698 2.635 8.129 1.00 0.00 H new ATOM 454 N LYS A 33 1.878 9.520 7.077 1.00 0.00 N ATOM 455 CA LYS A 33 0.676 10.336 7.208 1.00 0.00 C ATOM 456 C LYS A 33 0.351 11.042 5.896 1.00 0.00 C ATOM 457 O LYS A 33 0.073 12.241 5.878 1.00 0.00 O ATOM 458 CB LYS A 33 0.853 11.367 8.325 1.00 0.00 C ATOM 459 CG LYS A 33 0.409 10.870 9.689 1.00 0.00 C ATOM 460 CD LYS A 33 1.200 11.528 10.807 1.00 0.00 C ATOM 461 CE LYS A 33 2.449 10.730 11.151 1.00 0.00 C ATOM 462 NZ LYS A 33 3.345 11.474 12.079 1.00 0.00 N ATOM 0 H LYS A 33 2.749 10.051 7.078 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.154 9.676 7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.903 11.657 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.287 12.264 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.653 11.075 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.534 9.788 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.483 12.538 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.571 11.622 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.161 9.783 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.991 10.492 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.184 10.897 12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.641 12.366 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.836 11.679 12.963 1.00 0.00 H new ATOM 476 N ASP A 34 0.387 10.291 4.801 1.00 0.00 N ATOM 477 CA ASP A 34 0.094 10.844 3.484 1.00 0.00 C ATOM 478 C ASP A 34 -1.411 10.899 3.240 1.00 0.00 C ATOM 479 O ASP A 34 -2.157 9.992 3.607 1.00 0.00 O ATOM 480 CB ASP A 34 0.770 10.010 2.394 1.00 0.00 C ATOM 481 CG ASP A 34 0.180 10.263 1.022 1.00 0.00 C ATOM 482 OD1 ASP A 34 -0.936 9.772 0.755 1.00 0.00 O ATOM 483 OD2 ASP A 34 0.835 10.954 0.212 1.00 0.00 O ATOM 0 H ASP A 34 0.616 9.297 4.799 1.00 0.00 H new ATOM 0 HA ASP A 34 0.487 11.860 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.836 10.237 2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.674 8.952 2.638 1.00 0.00 H new ATOM 488 N PRO A 35 -1.868 11.988 2.605 1.00 0.00 N ATOM 489 CA PRO A 35 -3.288 12.187 2.298 1.00 0.00 C ATOM 490 C PRO A 35 -3.788 11.230 1.222 1.00 0.00 C ATOM 491 O PRO A 35 -4.863 10.643 1.350 1.00 0.00 O ATOM 492 CB PRO A 35 -3.343 13.632 1.795 1.00 0.00 C ATOM 493 CG PRO A 35 -1.974 13.903 1.272 1.00 0.00 C ATOM 494 CD PRO A 35 -1.035 13.109 2.138 1.00 0.00 C ATOM 0 HA PRO A 35 -3.922 11.998 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.096 13.752 1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.604 14.321 2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.889 13.603 0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.742 14.967 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.169 12.759 1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.657 13.703 2.970 1.00 0.00 H new ATOM 502 N LYS A 36 -3.003 11.076 0.162 1.00 0.00 N ATOM 503 CA LYS A 36 -3.364 10.188 -0.937 1.00 0.00 C ATOM 504 C LYS A 36 -3.819 8.830 -0.412 1.00 0.00 C ATOM 505 O LYS A 36 -4.723 8.209 -0.971 1.00 0.00 O ATOM 506 CB LYS A 36 -2.177 10.008 -1.886 1.00 0.00 C ATOM 507 CG LYS A 36 -1.624 11.317 -2.423 1.00 0.00 C ATOM 508 CD LYS A 36 -2.560 11.940 -3.447 1.00 0.00 C ATOM 509 CE LYS A 36 -1.869 13.041 -4.236 1.00 0.00 C ATOM 510 NZ LYS A 36 -2.793 13.695 -5.201 1.00 0.00 N ATOM 0 H LYS A 36 -2.111 11.555 0.040 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.191 10.643 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.383 9.475 -1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.484 9.382 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.470 12.013 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.649 11.142 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.917 11.170 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.435 12.348 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.475 13.788 -3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.018 12.623 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.284 14.439 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.150 12.987 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.592 14.116 -4.686 1.00 0.00 H new ATOM 524 N ILE A 37 -3.188 8.376 0.666 1.00 0.00 N ATOM 525 CA ILE A 37 -3.530 7.093 1.267 1.00 0.00 C ATOM 526 C ILE A 37 -5.031 6.989 1.523 1.00 0.00 C ATOM 527 O ILE A 37 -5.609 5.905 1.445 1.00 0.00 O ATOM 528 CB ILE A 37 -2.779 6.875 2.593 1.00 0.00 C ATOM 529 CG1 ILE A 37 -1.271 7.026 2.381 1.00 0.00 C ATOM 530 CG2 ILE A 37 -3.103 5.503 3.166 1.00 0.00 C ATOM 531 CD1 ILE A 37 -0.449 6.634 3.589 1.00 0.00 C ATOM 0 H ILE A 37 -2.437 8.878 1.141 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.230 6.322 0.558 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.105 7.632 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.969 6.414 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.051 8.062 2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.564 5.364 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.175 5.429 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.802 4.732 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.610 6.766 3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.724 7.263 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.640 5.590 3.836 1.00 0.00 H new ATOM 543 N SER A 38 -5.654 8.123 1.826 1.00 0.00 N ATOM 544 CA SER A 38 -7.086 8.159 2.094 1.00 0.00 C ATOM 545 C SER A 38 -7.863 7.424 1.005 1.00 0.00 C ATOM 546 O SER A 38 -8.790 6.665 1.290 1.00 0.00 O ATOM 547 CB SER A 38 -7.572 9.606 2.196 1.00 0.00 C ATOM 548 OG SER A 38 -8.719 9.703 3.021 1.00 0.00 O ATOM 0 H SER A 38 -5.189 9.029 1.892 1.00 0.00 H new ATOM 0 HA SER A 38 -7.264 7.656 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.776 10.232 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.803 9.986 1.201 1.00 0.00 H new ATOM 0 HG SER A 38 -8.798 8.893 3.567 1.00 0.00 H new ATOM 554 N THR A 39 -7.476 7.657 -0.245 1.00 0.00 N ATOM 555 CA THR A 39 -8.135 7.019 -1.379 1.00 0.00 C ATOM 556 C THR A 39 -7.592 5.615 -1.612 1.00 0.00 C ATOM 557 O THR A 39 -8.130 4.856 -2.419 1.00 0.00 O ATOM 558 CB THR A 39 -7.960 7.845 -2.668 1.00 0.00 C ATOM 559 OG1 THR A 39 -6.568 7.993 -2.969 1.00 0.00 O ATOM 560 CG2 THR A 39 -8.602 9.217 -2.522 1.00 0.00 C ATOM 0 H THR A 39 -6.711 8.282 -0.498 1.00 0.00 H new ATOM 0 HA THR A 39 -9.196 6.959 -1.135 1.00 0.00 H new ATOM 0 HB THR A 39 -8.453 7.316 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.051 7.993 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.466 9.782 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.667 9.101 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.133 9.752 -1.696 1.00 0.00 H new ATOM 568 N SER A 40 -6.523 5.272 -0.900 1.00 0.00 N ATOM 569 CA SER A 40 -5.905 3.958 -1.032 1.00 0.00 C ATOM 570 C SER A 40 -5.258 3.798 -2.405 1.00 0.00 C ATOM 571 O SER A 40 -5.129 2.685 -2.916 1.00 0.00 O ATOM 572 CB SER A 40 -6.945 2.858 -0.814 1.00 0.00 C ATOM 573 OG SER A 40 -7.681 3.081 0.376 1.00 0.00 O ATOM 0 H SER A 40 -6.067 5.886 -0.226 1.00 0.00 H new ATOM 0 HA SER A 40 -5.129 3.870 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.625 2.823 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.449 1.889 -0.762 1.00 0.00 H new ATOM 0 HG SER A 40 -8.340 2.365 0.492 1.00 0.00 H new ATOM 579 N LEU A 41 -4.853 4.916 -2.995 1.00 0.00 N ATOM 580 CA LEU A 41 -4.218 4.902 -4.309 1.00 0.00 C ATOM 581 C LEU A 41 -2.843 4.244 -4.242 1.00 0.00 C ATOM 582 O LEU A 41 -2.533 3.320 -4.993 1.00 0.00 O ATOM 583 CB LEU A 41 -4.090 6.326 -4.851 1.00 0.00 C ATOM 584 CG LEU A 41 -5.329 6.894 -5.543 1.00 0.00 C ATOM 585 CD1 LEU A 41 -5.130 8.367 -5.870 1.00 0.00 C ATOM 586 CD2 LEU A 41 -5.645 6.105 -6.805 1.00 0.00 C ATOM 0 H LEU A 41 -4.953 5.845 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.846 4.320 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.825 6.986 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.260 6.351 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.175 6.804 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.022 8.754 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.953 8.923 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.272 8.480 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.530 6.524 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.800 6.162 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.832 5.063 -6.545 1.00 0.00 H new ATOM 598 N PRO A 42 -1.999 4.732 -3.321 1.00 0.00 N ATOM 599 CA PRO A 42 -0.644 4.206 -3.132 1.00 0.00 C ATOM 600 C PRO A 42 -0.646 2.803 -2.533 1.00 0.00 C ATOM 601 O PRO A 42 0.316 2.050 -2.687 1.00 0.00 O ATOM 602 CB PRO A 42 -0.008 5.202 -2.161 1.00 0.00 C ATOM 603 CG PRO A 42 -1.156 5.793 -1.418 1.00 0.00 C ATOM 604 CD PRO A 42 -2.302 5.834 -2.392 1.00 0.00 C ATOM 0 HA PRO A 42 -0.108 4.111 -4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.688 4.706 -1.485 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.556 5.968 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.407 5.191 -0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.914 6.793 -1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.260 5.687 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.356 6.792 -2.909 1.00 0.00 H new ATOM 612 N VAL A 43 -1.731 2.458 -1.847 1.00 0.00 N ATOM 613 CA VAL A 43 -1.858 1.146 -1.225 1.00 0.00 C ATOM 614 C VAL A 43 -2.363 0.111 -2.224 1.00 0.00 C ATOM 615 O VAL A 43 -1.969 -1.055 -2.178 1.00 0.00 O ATOM 616 CB VAL A 43 -2.814 1.187 -0.018 1.00 0.00 C ATOM 617 CG1 VAL A 43 -2.762 -0.125 0.749 1.00 0.00 C ATOM 618 CG2 VAL A 43 -2.474 2.359 0.891 1.00 0.00 C ATOM 0 H VAL A 43 -2.535 3.070 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.863 0.861 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.831 1.325 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.444 -0.077 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.058 -0.943 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.747 -0.297 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.159 2.373 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.451 2.254 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.568 3.291 0.334 1.00 0.00 H new ATOM 628 N LEU A 44 -3.235 0.545 -3.127 1.00 0.00 N ATOM 629 CA LEU A 44 -3.795 -0.345 -4.140 1.00 0.00 C ATOM 630 C LEU A 44 -2.824 -0.525 -5.301 1.00 0.00 C ATOM 631 O LEU A 44 -2.499 -1.650 -5.683 1.00 0.00 O ATOM 632 CB LEU A 44 -5.125 0.208 -4.653 1.00 0.00 C ATOM 633 CG LEU A 44 -6.291 0.178 -3.664 1.00 0.00 C ATOM 634 CD1 LEU A 44 -7.415 1.088 -4.135 1.00 0.00 C ATOM 635 CD2 LEU A 44 -6.797 -1.245 -3.480 1.00 0.00 C ATOM 0 H LEU A 44 -3.570 1.507 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.967 -1.318 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.969 1.240 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.412 -0.357 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.935 0.544 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.236 1.053 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.046 2.111 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.770 0.753 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.627 -1.248 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.136 -1.637 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.991 -1.871 -3.096 1.00 0.00 H new ATOM 647 N ASP A 45 -2.361 0.589 -5.858 1.00 0.00 N ATOM 648 CA ASP A 45 -1.425 0.554 -6.975 1.00 0.00 C ATOM 649 C ASP A 45 -0.139 -0.169 -6.584 1.00 0.00 C ATOM 650 O ASP A 45 0.381 -0.988 -7.343 1.00 0.00 O ATOM 651 CB ASP A 45 -1.103 1.974 -7.443 1.00 0.00 C ATOM 652 CG ASP A 45 -2.329 2.708 -7.950 1.00 0.00 C ATOM 653 OD1 ASP A 45 -3.448 2.360 -7.520 1.00 0.00 O ATOM 654 OD2 ASP A 45 -2.169 3.632 -8.775 1.00 0.00 O ATOM 0 H ASP A 45 -2.619 1.528 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.894 0.007 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.663 2.534 -6.618 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.355 1.932 -8.235 1.00 0.00 H new ATOM 659 N LEU A 46 0.369 0.139 -5.396 1.00 0.00 N ATOM 660 CA LEU A 46 1.594 -0.481 -4.903 1.00 0.00 C ATOM 661 C LEU A 46 1.531 -1.998 -5.042 1.00 0.00 C ATOM 662 O LEU A 46 2.521 -2.642 -5.392 1.00 0.00 O ATOM 663 CB LEU A 46 1.829 -0.101 -3.440 1.00 0.00 C ATOM 664 CG LEU A 46 2.863 -0.938 -2.687 1.00 0.00 C ATOM 665 CD1 LEU A 46 4.173 -0.987 -3.458 1.00 0.00 C ATOM 666 CD2 LEU A 46 3.086 -0.379 -1.289 1.00 0.00 C ATOM 0 H LEU A 46 -0.048 0.815 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 46 2.425 -0.114 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.139 0.943 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.879 -0.171 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 46 2.481 -1.955 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.897 -1.587 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.002 -1.433 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.560 0.024 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.825 -0.987 -0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.446 0.647 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.147 -0.396 -0.736 1.00 0.00 H new ATOM 678 N ILE A 47 0.360 -2.564 -4.770 1.00 0.00 N ATOM 679 CA ILE A 47 0.166 -4.006 -4.868 1.00 0.00 C ATOM 680 C ILE A 47 0.206 -4.468 -6.321 1.00 0.00 C ATOM 681 O ILE A 47 0.898 -5.429 -6.659 1.00 0.00 O ATOM 682 CB ILE A 47 -1.171 -4.439 -4.239 1.00 0.00 C ATOM 683 CG1 ILE A 47 -1.205 -4.069 -2.755 1.00 0.00 C ATOM 684 CG2 ILE A 47 -1.383 -5.934 -4.423 1.00 0.00 C ATOM 685 CD1 ILE A 47 -2.604 -3.992 -2.183 1.00 0.00 C ATOM 0 H ILE A 47 -0.469 -2.046 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 47 0.983 -4.473 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.981 -3.912 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.631 -4.805 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.711 -3.107 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.332 -6.225 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.398 -6.171 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.571 -6.479 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.551 -3.725 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.176 -3.235 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.094 -4.960 -2.289 1.00 0.00 H new ATOM 697 N ASP A 48 -0.539 -3.776 -7.175 1.00 0.00 N ATOM 698 CA ASP A 48 -0.587 -4.114 -8.594 1.00 0.00 C ATOM 699 C ASP A 48 0.815 -4.138 -9.195 1.00 0.00 C ATOM 700 O ASP A 48 1.214 -5.117 -9.824 1.00 0.00 O ATOM 701 CB ASP A 48 -1.462 -3.111 -9.348 1.00 0.00 C ATOM 702 CG ASP A 48 -1.915 -3.638 -10.696 1.00 0.00 C ATOM 703 OD1 ASP A 48 -2.506 -4.738 -10.735 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.679 -2.951 -11.711 1.00 0.00 O ATOM 0 H ASP A 48 -1.118 -2.979 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.021 -5.109 -8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.336 -2.869 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.907 -2.184 -9.491 1.00 0.00 H new ATOM 709 N ALA A 49 1.557 -3.052 -8.997 1.00 0.00 N ATOM 710 CA ALA A 49 2.913 -2.949 -9.518 1.00 0.00 C ATOM 711 C ALA A 49 3.646 -4.284 -9.412 1.00 0.00 C ATOM 712 O ALA A 49 4.305 -4.717 -10.358 1.00 0.00 O ATOM 713 CB ALA A 49 3.682 -1.864 -8.780 1.00 0.00 C ATOM 0 H ALA A 49 1.240 -2.232 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 49 2.850 -2.681 -10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.694 -1.799 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.177 -0.907 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.727 -2.108 -7.719 1.00 0.00 H new ATOM 719 N ILE A 50 3.525 -4.929 -8.257 1.00 0.00 N ATOM 720 CA ILE A 50 4.175 -6.213 -8.028 1.00 0.00 C ATOM 721 C ILE A 50 3.426 -7.341 -8.730 1.00 0.00 C ATOM 722 O ILE A 50 3.961 -7.992 -9.625 1.00 0.00 O ATOM 723 CB ILE A 50 4.274 -6.535 -6.526 1.00 0.00 C ATOM 724 CG1 ILE A 50 4.959 -5.387 -5.781 1.00 0.00 C ATOM 725 CG2 ILE A 50 5.030 -7.837 -6.312 1.00 0.00 C ATOM 726 CD1 ILE A 50 4.974 -5.566 -4.278 1.00 0.00 C ATOM 0 H ILE A 50 2.983 -4.583 -7.465 1.00 0.00 H new ATOM 0 HA ILE A 50 5.181 -6.135 -8.441 1.00 0.00 H new ATOM 0 HB ILE A 50 3.266 -6.653 -6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.985 -5.294 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.451 -4.453 -6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.092 -8.051 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.505 -8.649 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.036 -7.745 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.475 -4.716 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.950 -5.629 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.508 -6.482 -4.026 1.00 0.00 H new ATOM 738 N GLN A 51 2.181 -7.563 -8.317 1.00 0.00 N ATOM 739 CA GLN A 51 1.358 -8.612 -8.907 1.00 0.00 C ATOM 740 C GLN A 51 0.250 -8.014 -9.767 1.00 0.00 C ATOM 741 O GLN A 51 -0.838 -7.693 -9.288 1.00 0.00 O ATOM 742 CB GLN A 51 0.751 -9.490 -7.811 1.00 0.00 C ATOM 743 CG GLN A 51 0.399 -10.893 -8.280 1.00 0.00 C ATOM 744 CD GLN A 51 0.504 -11.922 -7.172 1.00 0.00 C ATOM 745 OE1 GLN A 51 -0.442 -12.130 -6.411 1.00 0.00 O ATOM 746 NE2 GLN A 51 1.657 -12.573 -7.076 1.00 0.00 N ATOM 0 H GLN A 51 1.722 -7.031 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 51 1.996 -9.226 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.454 -9.559 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.148 -9.008 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.616 -10.895 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.062 -11.176 -9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.414 -12.368 -7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.786 -13.278 -6.350 1.00 0.00 H new ATOM 755 N PRO A 52 0.529 -7.861 -11.070 1.00 0.00 N ATOM 756 CA PRO A 52 -0.431 -7.300 -12.026 1.00 0.00 C ATOM 757 C PRO A 52 -1.603 -8.240 -12.288 1.00 0.00 C ATOM 758 O PRO A 52 -1.418 -9.443 -12.468 1.00 0.00 O ATOM 759 CB PRO A 52 0.400 -7.114 -13.297 1.00 0.00 C ATOM 760 CG PRO A 52 1.500 -8.113 -13.180 1.00 0.00 C ATOM 761 CD PRO A 52 1.805 -8.221 -11.711 1.00 0.00 C ATOM 0 HA PRO A 52 -0.882 -6.379 -11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.199 -7.288 -14.191 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.792 -6.100 -13.369 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.197 -9.077 -13.588 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.379 -7.793 -13.739 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.121 -9.228 -11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.607 -7.545 -11.416 1.00 0.00 H new ATOM 769 N GLY A 53 -2.810 -7.683 -12.308 1.00 0.00 N ATOM 770 CA GLY A 53 -3.994 -8.486 -12.549 1.00 0.00 C ATOM 771 C GLY A 53 -4.936 -8.502 -11.361 1.00 0.00 C ATOM 772 O GLY A 53 -6.150 -8.624 -11.525 1.00 0.00 O ATOM 0 H GLY A 53 -2.989 -6.690 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.521 -8.098 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.695 -9.507 -12.785 1.00 0.00 H new ATOM 776 N SER A 54 -4.376 -8.380 -10.162 1.00 0.00 N ATOM 777 CA SER A 54 -5.174 -8.386 -8.942 1.00 0.00 C ATOM 778 C SER A 54 -6.066 -7.150 -8.870 1.00 0.00 C ATOM 779 O SER A 54 -7.290 -7.259 -8.782 1.00 0.00 O ATOM 780 CB SER A 54 -4.265 -8.444 -7.713 1.00 0.00 C ATOM 781 OG SER A 54 -3.269 -7.437 -7.767 1.00 0.00 O ATOM 0 H SER A 54 -3.373 -8.276 -10.009 1.00 0.00 H new ATOM 0 HA SER A 54 -5.809 -9.271 -8.958 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.862 -8.321 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.792 -9.424 -7.652 1.00 0.00 H new ATOM 0 HG SER A 54 -2.511 -7.755 -8.300 1.00 0.00 H new ATOM 787 N ILE A 55 -5.444 -5.976 -8.908 1.00 0.00 N ATOM 788 CA ILE A 55 -6.181 -4.720 -8.849 1.00 0.00 C ATOM 789 C ILE A 55 -6.785 -4.371 -10.205 1.00 0.00 C ATOM 790 O ILE A 55 -6.200 -4.660 -11.248 1.00 0.00 O ATOM 791 CB ILE A 55 -5.280 -3.560 -8.388 1.00 0.00 C ATOM 792 CG1 ILE A 55 -4.563 -3.928 -7.087 1.00 0.00 C ATOM 793 CG2 ILE A 55 -6.100 -2.291 -8.205 1.00 0.00 C ATOM 794 CD1 ILE A 55 -5.490 -4.448 -6.011 1.00 0.00 C ATOM 0 H ILE A 55 -4.432 -5.869 -8.979 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.982 -4.859 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.529 -3.377 -9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.807 -4.684 -7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.039 -3.050 -6.710 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.448 -1.480 -7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.569 -2.021 -9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.871 -2.461 -7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.913 -4.688 -5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.231 -3.686 -5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.996 -5.345 -6.369 1.00 0.00 H new ATOM 806 N ASN A 56 -7.959 -3.748 -10.182 1.00 0.00 N ATOM 807 CA ASN A 56 -8.641 -3.358 -11.410 1.00 0.00 C ATOM 808 C ASN A 56 -9.252 -1.966 -11.275 1.00 0.00 C ATOM 809 O ASN A 56 -10.273 -1.787 -10.611 1.00 0.00 O ATOM 810 CB ASN A 56 -9.732 -4.375 -11.756 1.00 0.00 C ATOM 811 CG ASN A 56 -9.977 -4.473 -13.248 1.00 0.00 C ATOM 812 OD1 ASN A 56 -9.098 -4.170 -14.055 1.00 0.00 O ATOM 813 ND2 ASN A 56 -11.178 -4.899 -13.624 1.00 0.00 N ATOM 0 H ASN A 56 -8.457 -3.503 -9.327 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.905 -3.336 -12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.447 -5.355 -11.372 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.659 -4.094 -11.256 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.401 -4.986 -14.616 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.877 -5.139 -12.921 1.00 0.00 H new ATOM 820 N TYR A 57 -8.619 -0.986 -11.910 1.00 0.00 N ATOM 821 CA TYR A 57 -9.099 0.391 -11.859 1.00 0.00 C ATOM 822 C TYR A 57 -10.532 0.487 -12.371 1.00 0.00 C ATOM 823 O TYR A 57 -11.322 1.298 -11.889 1.00 0.00 O ATOM 824 CB TYR A 57 -8.188 1.300 -12.685 1.00 0.00 C ATOM 825 CG TYR A 57 -6.750 1.304 -12.218 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.435 1.517 -10.881 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.708 1.096 -13.112 1.00 0.00 C ATOM 828 CE1 TYR A 57 -5.122 1.522 -10.450 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.393 1.098 -12.689 1.00 0.00 C ATOM 830 CZ TYR A 57 -4.105 1.312 -11.357 1.00 0.00 C ATOM 831 OH TYR A 57 -2.796 1.316 -10.931 1.00 0.00 O ATOM 0 H TYR A 57 -7.774 -1.118 -12.465 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.082 0.718 -10.819 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.222 0.983 -13.727 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.576 2.318 -12.649 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.229 1.681 -10.168 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.929 0.930 -14.156 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.894 1.690 -9.408 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.595 0.933 -13.397 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.753 1.005 -10.003 1.00 0.00 H new ATOM 841 N ASP A 58 -10.861 -0.347 -13.351 1.00 0.00 N ATOM 842 CA ASP A 58 -12.200 -0.358 -13.929 1.00 0.00 C ATOM 843 C ASP A 58 -13.262 -0.456 -12.839 1.00 0.00 C ATOM 844 O ASP A 58 -14.329 0.150 -12.939 1.00 0.00 O ATOM 845 CB ASP A 58 -12.347 -1.524 -14.908 1.00 0.00 C ATOM 846 CG ASP A 58 -13.770 -2.041 -14.983 1.00 0.00 C ATOM 847 OD1 ASP A 58 -14.701 -1.211 -15.035 1.00 0.00 O ATOM 848 OD2 ASP A 58 -13.953 -3.276 -14.991 1.00 0.00 O ATOM 0 H ASP A 58 -10.219 -1.025 -13.762 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.344 0.579 -14.468 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.027 -1.204 -15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.684 -2.335 -14.605 1.00 0.00 H new ATOM 853 N LEU A 59 -12.963 -1.226 -11.797 1.00 0.00 N ATOM 854 CA LEU A 59 -13.892 -1.405 -10.687 1.00 0.00 C ATOM 855 C LEU A 59 -13.696 -0.321 -9.631 1.00 0.00 C ATOM 856 O LEU A 59 -14.656 0.139 -9.012 1.00 0.00 O ATOM 857 CB LEU A 59 -13.704 -2.786 -10.056 1.00 0.00 C ATOM 858 CG LEU A 59 -13.641 -3.965 -11.028 1.00 0.00 C ATOM 859 CD1 LEU A 59 -13.450 -5.270 -10.273 1.00 0.00 C ATOM 860 CD2 LEU A 59 -14.900 -4.020 -11.882 1.00 0.00 C ATOM 0 H LEU A 59 -12.085 -1.736 -11.698 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.906 -1.326 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.784 -2.774 -9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.523 -2.959 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.785 -3.822 -11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -13.408 -6.097 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.520 -5.230 -9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.285 -5.420 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.838 -4.865 -12.568 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.771 -4.139 -11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -14.993 -3.096 -12.452 1.00 0.00 H new ATOM 872 N LEU A 60 -12.447 0.085 -9.434 1.00 0.00 N ATOM 873 CA LEU A 60 -12.124 1.118 -8.455 1.00 0.00 C ATOM 874 C LEU A 60 -12.865 2.414 -8.766 1.00 0.00 C ATOM 875 O LEU A 60 -13.425 2.577 -9.851 1.00 0.00 O ATOM 876 CB LEU A 60 -10.616 1.373 -8.432 1.00 0.00 C ATOM 877 CG LEU A 60 -9.740 0.180 -8.046 1.00 0.00 C ATOM 878 CD1 LEU A 60 -8.267 0.553 -8.125 1.00 0.00 C ATOM 879 CD2 LEU A 60 -10.093 -0.311 -6.650 1.00 0.00 C ATOM 0 H LEU A 60 -11.641 -0.285 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.442 0.766 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.311 1.718 -9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.416 2.186 -7.734 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.928 -0.629 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.658 -0.307 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.023 0.857 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.063 1.377 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.460 -1.160 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.934 0.492 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.139 -0.618 -6.626 1.00 0.00 H new ATOM 891 N LYS A 61 -12.865 3.335 -7.808 1.00 0.00 N ATOM 892 CA LYS A 61 -13.534 4.619 -7.980 1.00 0.00 C ATOM 893 C LYS A 61 -12.519 5.737 -8.192 1.00 0.00 C ATOM 894 O LYS A 61 -12.572 6.458 -9.190 1.00 0.00 O ATOM 895 CB LYS A 61 -14.405 4.929 -6.761 1.00 0.00 C ATOM 896 CG LYS A 61 -15.811 4.364 -6.858 1.00 0.00 C ATOM 897 CD LYS A 61 -15.833 2.871 -6.576 1.00 0.00 C ATOM 898 CE LYS A 61 -17.202 2.413 -6.098 1.00 0.00 C ATOM 899 NZ LYS A 61 -18.076 2.004 -7.233 1.00 0.00 N ATOM 0 H LYS A 61 -12.409 3.216 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.167 4.556 -8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.923 4.529 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.465 6.010 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.460 4.879 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.212 4.553 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.561 2.325 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.084 2.631 -5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.085 1.576 -5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.681 3.219 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.000 1.698 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -18.208 2.810 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.631 1.218 -7.748 1.00 0.00 H new ATOM 913 N THR A 62 -11.593 5.877 -7.248 1.00 0.00 N ATOM 914 CA THR A 62 -10.565 6.908 -7.331 1.00 0.00 C ATOM 915 C THR A 62 -11.137 8.211 -7.876 1.00 0.00 C ATOM 916 O THR A 62 -10.424 9.003 -8.490 1.00 0.00 O ATOM 917 CB THR A 62 -9.394 6.460 -8.226 1.00 0.00 C ATOM 918 OG1 THR A 62 -8.352 7.443 -8.194 1.00 0.00 O ATOM 919 CG2 THR A 62 -9.856 6.250 -9.659 1.00 0.00 C ATOM 0 H THR A 62 -11.534 5.289 -6.417 1.00 0.00 H new ATOM 0 HA THR A 62 -10.197 7.072 -6.318 1.00 0.00 H new ATOM 0 HB THR A 62 -9.014 5.513 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.737 8.333 -8.339 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.011 5.934 -10.271 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.629 5.482 -9.683 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.260 7.183 -10.052 1.00 0.00 H new ATOM 927 N GLU A 63 -12.429 8.426 -7.647 1.00 0.00 N ATOM 928 CA GLU A 63 -13.096 9.636 -8.116 1.00 0.00 C ATOM 929 C GLU A 63 -13.898 10.285 -6.992 1.00 0.00 C ATOM 930 O GLU A 63 -14.919 9.754 -6.558 1.00 0.00 O ATOM 931 CB GLU A 63 -14.017 9.313 -9.295 1.00 0.00 C ATOM 932 CG GLU A 63 -15.082 8.280 -8.970 1.00 0.00 C ATOM 933 CD GLU A 63 -16.368 8.906 -8.468 1.00 0.00 C ATOM 934 OE1 GLU A 63 -16.893 9.812 -9.150 1.00 0.00 O ATOM 935 OE2 GLU A 63 -16.851 8.490 -7.394 1.00 0.00 O ATOM 0 H GLU A 63 -13.034 7.779 -7.141 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.330 10.339 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.502 10.230 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.414 8.951 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.294 7.689 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.698 7.593 -8.216 1.00 0.00 H new ATOM 942 N ASN A 64 -13.428 11.438 -6.527 1.00 0.00 N ATOM 943 CA ASN A 64 -14.101 12.160 -5.453 1.00 0.00 C ATOM 944 C ASN A 64 -14.610 11.197 -4.385 1.00 0.00 C ATOM 945 O ASN A 64 -15.702 11.372 -3.844 1.00 0.00 O ATOM 946 CB ASN A 64 -15.265 12.979 -6.013 1.00 0.00 C ATOM 947 CG ASN A 64 -16.312 12.112 -6.686 1.00 0.00 C ATOM 948 OD1 ASN A 64 -17.165 11.523 -6.023 1.00 0.00 O ATOM 949 ND2 ASN A 64 -16.251 12.032 -8.010 1.00 0.00 N ATOM 0 H ASN A 64 -12.584 11.892 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 64 -13.378 12.834 -4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.730 13.544 -5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.883 13.705 -6.731 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -16.929 11.465 -8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.526 12.538 -8.519 1.00 0.00 H new ATOM 956 N LEU A 65 -13.811 10.178 -4.086 1.00 0.00 N ATOM 957 CA LEU A 65 -14.178 9.186 -3.081 1.00 0.00 C ATOM 958 C LEU A 65 -14.793 9.855 -1.855 1.00 0.00 C ATOM 959 O LEU A 65 -14.616 11.052 -1.635 1.00 0.00 O ATOM 960 CB LEU A 65 -12.953 8.368 -2.670 1.00 0.00 C ATOM 961 CG LEU A 65 -12.491 7.305 -3.666 1.00 0.00 C ATOM 962 CD1 LEU A 65 -10.988 7.097 -3.568 1.00 0.00 C ATOM 963 CD2 LEU A 65 -13.229 5.995 -3.427 1.00 0.00 C ATOM 0 H LEU A 65 -12.905 10.017 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 65 -14.921 8.519 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.125 9.055 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.170 7.878 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.723 7.653 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.678 6.337 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.476 8.034 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.731 6.772 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.888 5.249 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.028 5.643 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.300 6.153 -3.550 1.00 0.00 H new ATOM 975 N ASN A 66 -15.515 9.072 -1.060 1.00 0.00 N ATOM 976 CA ASN A 66 -16.154 9.587 0.145 1.00 0.00 C ATOM 977 C ASN A 66 -16.146 8.541 1.255 1.00 0.00 C ATOM 978 O ASN A 66 -15.955 7.352 1.000 1.00 0.00 O ATOM 979 CB ASN A 66 -17.591 10.014 -0.158 1.00 0.00 C ATOM 980 CG ASN A 66 -18.254 9.122 -1.188 1.00 0.00 C ATOM 981 OD1 ASN A 66 -17.981 9.225 -2.384 1.00 0.00 O ATOM 982 ND2 ASN A 66 -19.132 8.238 -0.728 1.00 0.00 N ATOM 0 H ASN A 66 -15.672 8.078 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.588 10.454 0.484 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.174 9.997 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.593 11.043 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -19.610 7.610 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -19.328 8.187 0.272 1.00 0.00 H new ATOM 989 N ASP A 67 -16.354 8.992 2.488 1.00 0.00 N ATOM 990 CA ASP A 67 -16.373 8.095 3.638 1.00 0.00 C ATOM 991 C ASP A 67 -17.007 6.757 3.272 1.00 0.00 C ATOM 992 O ASP A 67 -16.660 5.719 3.836 1.00 0.00 O ATOM 993 CB ASP A 67 -17.134 8.735 4.799 1.00 0.00 C ATOM 994 CG ASP A 67 -16.354 9.859 5.452 1.00 0.00 C ATOM 995 OD1 ASP A 67 -15.134 9.692 5.658 1.00 0.00 O ATOM 996 OD2 ASP A 67 -16.964 10.904 5.761 1.00 0.00 O ATOM 0 H ASP A 67 -16.512 9.973 2.716 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.343 7.916 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -18.087 9.121 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -17.361 7.973 5.545 1.00 0.00 H new ATOM 1001 N ASP A 68 -17.942 6.790 2.328 1.00 0.00 N ATOM 1002 CA ASP A 68 -18.626 5.579 1.888 1.00 0.00 C ATOM 1003 C ASP A 68 -17.752 4.779 0.928 1.00 0.00 C ATOM 1004 O ASP A 68 -17.346 3.658 1.232 1.00 0.00 O ATOM 1005 CB ASP A 68 -19.952 5.934 1.214 1.00 0.00 C ATOM 1006 CG ASP A 68 -20.965 4.811 1.301 1.00 0.00 C ATOM 1007 OD1 ASP A 68 -20.773 3.784 0.614 1.00 0.00 O ATOM 1008 OD2 ASP A 68 -21.951 4.956 2.054 1.00 0.00 O ATOM 0 H ASP A 68 -18.243 7.641 1.853 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.826 4.965 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.365 6.829 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.771 6.175 0.167 1.00 0.00 H new ATOM 1013 N GLU A 69 -17.465 5.363 -0.231 1.00 0.00 N ATOM 1014 CA GLU A 69 -16.641 4.702 -1.236 1.00 0.00 C ATOM 1015 C GLU A 69 -15.272 4.346 -0.666 1.00 0.00 C ATOM 1016 O GLU A 69 -14.838 3.195 -0.736 1.00 0.00 O ATOM 1017 CB GLU A 69 -16.476 5.601 -2.464 1.00 0.00 C ATOM 1018 CG GLU A 69 -17.795 6.063 -3.060 1.00 0.00 C ATOM 1019 CD GLU A 69 -18.384 5.055 -4.026 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -18.559 3.884 -3.628 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -18.673 5.436 -5.180 1.00 0.00 O ATOM 0 H GLU A 69 -17.791 6.292 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 69 -17.143 3.781 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.886 6.475 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.912 5.062 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -18.507 6.249 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.644 7.010 -3.577 1.00 0.00 H new ATOM 1028 N LYS A 70 -14.594 5.340 -0.103 1.00 0.00 N ATOM 1029 CA LYS A 70 -13.273 5.133 0.480 1.00 0.00 C ATOM 1030 C LYS A 70 -13.200 3.788 1.196 1.00 0.00 C ATOM 1031 O LYS A 70 -12.304 2.983 0.935 1.00 0.00 O ATOM 1032 CB LYS A 70 -12.943 6.262 1.459 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.781 7.617 0.792 1.00 0.00 C ATOM 1034 CD LYS A 70 -12.269 8.661 1.769 1.00 0.00 C ATOM 1035 CE LYS A 70 -11.838 9.932 1.053 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.713 11.083 1.990 1.00 0.00 N ATOM 0 H LYS A 70 -14.938 6.298 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.542 5.135 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.734 6.326 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.023 6.015 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.089 7.531 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.739 7.939 0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.049 8.897 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.427 8.254 2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.882 9.763 0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.563 10.174 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.418 11.929 1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.631 11.261 2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.003 10.863 2.717 1.00 0.00 H new ATOM 1050 N LEU A 71 -14.146 3.549 2.097 1.00 0.00 N ATOM 1051 CA LEU A 71 -14.188 2.300 2.849 1.00 0.00 C ATOM 1052 C LEU A 71 -14.054 1.099 1.918 1.00 0.00 C ATOM 1053 O LEU A 71 -13.106 0.322 2.026 1.00 0.00 O ATOM 1054 CB LEU A 71 -15.494 2.202 3.640 1.00 0.00 C ATOM 1055 CG LEU A 71 -15.801 0.841 4.265 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -14.739 0.473 5.289 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -17.182 0.846 4.904 1.00 0.00 C ATOM 0 H LEU A 71 -14.894 4.204 2.325 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.348 2.294 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -15.470 2.947 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -16.317 2.469 2.977 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.791 0.090 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.974 -0.499 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.765 0.427 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.716 1.227 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.383 -0.131 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -17.220 1.609 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -17.933 1.064 4.145 1.00 0.00 H new ATOM 1069 N ASN A 72 -15.006 0.956 1.004 1.00 0.00 N ATOM 1070 CA ASN A 72 -14.993 -0.150 0.053 1.00 0.00 C ATOM 1071 C ASN A 72 -13.599 -0.342 -0.539 1.00 0.00 C ATOM 1072 O ASN A 72 -13.139 -1.468 -0.716 1.00 0.00 O ATOM 1073 CB ASN A 72 -16.004 0.100 -1.068 1.00 0.00 C ATOM 1074 CG ASN A 72 -17.428 0.186 -0.552 1.00 0.00 C ATOM 1075 OD1 ASN A 72 -18.153 -0.809 -0.534 1.00 0.00 O ATOM 1076 ND2 ASN A 72 -17.834 1.377 -0.131 1.00 0.00 N ATOM 0 H ASN A 72 -15.797 1.592 0.901 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.271 -1.058 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.750 1.027 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.934 -0.702 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.782 1.496 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.198 2.174 -0.165 1.00 0.00 H new ATOM 1083 N ASN A 73 -12.933 0.768 -0.842 1.00 0.00 N ATOM 1084 CA ASN A 73 -11.592 0.723 -1.413 1.00 0.00 C ATOM 1085 C ASN A 73 -10.590 0.172 -0.404 1.00 0.00 C ATOM 1086 O ASN A 73 -9.697 -0.599 -0.758 1.00 0.00 O ATOM 1087 CB ASN A 73 -11.162 2.118 -1.867 1.00 0.00 C ATOM 1088 CG ASN A 73 -11.614 2.433 -3.279 1.00 0.00 C ATOM 1089 OD1 ASN A 73 -12.308 1.638 -3.913 1.00 0.00 O ATOM 1090 ND2 ASN A 73 -11.221 3.599 -3.782 1.00 0.00 N ATOM 0 H ASN A 73 -13.300 1.709 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.613 0.058 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.572 2.862 -1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.076 2.197 -1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.494 3.864 -4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.646 4.228 -3.222 1.00 0.00 H new ATOM 1097 N ALA A 74 -10.744 0.571 0.853 1.00 0.00 N ATOM 1098 CA ALA A 74 -9.854 0.115 1.915 1.00 0.00 C ATOM 1099 C ALA A 74 -9.942 -1.396 2.094 1.00 0.00 C ATOM 1100 O ALA A 74 -8.923 -2.084 2.159 1.00 0.00 O ATOM 1101 CB ALA A 74 -10.183 0.824 3.220 1.00 0.00 C ATOM 0 H ALA A 74 -11.477 1.209 1.162 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.831 0.361 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.511 0.474 4.004 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.061 1.899 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.213 0.607 3.502 1.00 0.00 H new ATOM 1107 N LYS A 75 -11.166 -1.907 2.174 1.00 0.00 N ATOM 1108 CA LYS A 75 -11.389 -3.338 2.345 1.00 0.00 C ATOM 1109 C LYS A 75 -10.749 -4.128 1.208 1.00 0.00 C ATOM 1110 O LYS A 75 -10.138 -5.173 1.433 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.889 -3.638 2.408 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.620 -2.858 3.486 1.00 0.00 C ATOM 1113 CD LYS A 75 -15.087 -3.249 3.559 1.00 0.00 C ATOM 1114 CE LYS A 75 -15.858 -2.750 2.347 1.00 0.00 C ATOM 1115 NZ LYS A 75 -17.222 -3.342 2.275 1.00 0.00 N ATOM 0 H LYS A 75 -12.020 -1.351 2.123 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.924 -3.643 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.337 -3.412 1.440 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.031 -4.704 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.146 -3.038 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.537 -1.790 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.173 -4.334 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.529 -2.839 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.935 -1.664 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.307 -2.996 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.715 -2.977 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.148 -4.377 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.757 -3.086 3.129 1.00 0.00 H new ATOM 1129 N TYR A 76 -10.891 -3.621 -0.011 1.00 0.00 N ATOM 1130 CA TYR A 76 -10.327 -4.281 -1.183 1.00 0.00 C ATOM 1131 C TYR A 76 -8.806 -4.359 -1.085 1.00 0.00 C ATOM 1132 O TYR A 76 -8.212 -5.415 -1.301 1.00 0.00 O ATOM 1133 CB TYR A 76 -10.729 -3.536 -2.457 1.00 0.00 C ATOM 1134 CG TYR A 76 -10.412 -4.292 -3.727 1.00 0.00 C ATOM 1135 CD1 TYR A 76 -10.917 -5.569 -3.942 1.00 0.00 C ATOM 1136 CD2 TYR A 76 -9.609 -3.732 -4.711 1.00 0.00 C ATOM 1137 CE1 TYR A 76 -10.629 -6.265 -5.101 1.00 0.00 C ATOM 1138 CE2 TYR A 76 -9.317 -4.419 -5.874 1.00 0.00 C ATOM 1139 CZ TYR A 76 -9.830 -5.685 -6.063 1.00 0.00 C ATOM 1140 OH TYR A 76 -9.541 -6.374 -7.219 1.00 0.00 O ATOM 0 H TYR A 76 -11.391 -2.756 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.723 -5.296 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.799 -3.330 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.219 -2.573 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.545 -6.025 -3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.205 -2.741 -4.565 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.028 -7.257 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.691 -3.967 -6.630 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.571 -6.393 -7.355 1.00 0.00 H new ATOM 1150 N ALA A 77 -8.182 -3.233 -0.756 1.00 0.00 N ATOM 1151 CA ALA A 77 -6.731 -3.173 -0.626 1.00 0.00 C ATOM 1152 C ALA A 77 -6.220 -4.250 0.323 1.00 0.00 C ATOM 1153 O ALA A 77 -5.332 -5.029 -0.027 1.00 0.00 O ATOM 1154 CB ALA A 77 -6.301 -1.794 -0.144 1.00 0.00 C ATOM 0 H ALA A 77 -8.659 -2.350 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.295 -3.355 -1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.215 -1.763 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.625 -1.040 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.754 -1.590 0.826 1.00 0.00 H new ATOM 1160 N ILE A 78 -6.785 -4.289 1.526 1.00 0.00 N ATOM 1161 CA ILE A 78 -6.387 -5.273 2.524 1.00 0.00 C ATOM 1162 C ILE A 78 -6.604 -6.694 2.015 1.00 0.00 C ATOM 1163 O ILE A 78 -5.729 -7.550 2.140 1.00 0.00 O ATOM 1164 CB ILE A 78 -7.164 -5.086 3.841 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -6.949 -3.674 4.389 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -6.734 -6.129 4.862 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -7.720 -3.396 5.660 1.00 0.00 C ATOM 0 H ILE A 78 -7.519 -3.651 1.832 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.325 -5.117 2.713 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.227 -5.219 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.886 -3.524 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.243 -2.949 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.292 -5.984 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.934 -7.126 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.667 -6.025 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.520 -2.377 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.787 -3.513 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.409 -4.097 6.435 1.00 0.00 H new ATOM 1179 N SER A 79 -7.778 -6.937 1.441 1.00 0.00 N ATOM 1180 CA SER A 79 -8.112 -8.255 0.913 1.00 0.00 C ATOM 1181 C SER A 79 -7.043 -8.738 -0.062 1.00 0.00 C ATOM 1182 O SER A 79 -6.555 -9.862 0.043 1.00 0.00 O ATOM 1183 CB SER A 79 -9.474 -8.218 0.218 1.00 0.00 C ATOM 1184 OG SER A 79 -10.522 -8.501 1.130 1.00 0.00 O ATOM 0 H SER A 79 -8.513 -6.239 1.330 1.00 0.00 H new ATOM 0 HA SER A 79 -8.157 -8.953 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.631 -7.236 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.490 -8.943 -0.595 1.00 0.00 H new ATOM 0 HG SER A 79 -11.382 -8.469 0.661 1.00 0.00 H new ATOM 1190 N MET A 80 -6.685 -7.878 -1.010 1.00 0.00 N ATOM 1191 CA MET A 80 -5.673 -8.216 -2.004 1.00 0.00 C ATOM 1192 C MET A 80 -4.360 -8.606 -1.332 1.00 0.00 C ATOM 1193 O MET A 80 -3.820 -9.683 -1.580 1.00 0.00 O ATOM 1194 CB MET A 80 -5.445 -7.037 -2.952 1.00 0.00 C ATOM 1195 CG MET A 80 -6.703 -6.584 -3.673 1.00 0.00 C ATOM 1196 SD MET A 80 -7.057 -7.570 -5.140 1.00 0.00 S ATOM 1197 CE MET A 80 -8.112 -8.842 -4.448 1.00 0.00 C ATOM 0 H MET A 80 -7.080 -6.943 -1.111 1.00 0.00 H new ATOM 0 HA MET A 80 -6.034 -9.069 -2.578 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.040 -6.199 -2.385 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.693 -7.316 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.550 -6.641 -2.989 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.596 -5.538 -3.960 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.691 -9.823 -4.668 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.180 -8.710 -3.368 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.107 -8.767 -4.886 1.00 0.00 H new ATOM 1207 N ALA A 81 -3.851 -7.721 -0.480 1.00 0.00 N ATOM 1208 CA ALA A 81 -2.603 -7.973 0.228 1.00 0.00 C ATOM 1209 C ALA A 81 -2.534 -9.414 0.724 1.00 0.00 C ATOM 1210 O ALA A 81 -1.604 -10.151 0.392 1.00 0.00 O ATOM 1211 CB ALA A 81 -2.451 -7.005 1.392 1.00 0.00 C ATOM 0 H ALA A 81 -4.285 -6.823 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.781 -7.817 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.514 -7.205 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.446 -5.982 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.284 -7.134 2.083 1.00 0.00 H new ATOM 1217 N ARG A 82 -3.523 -9.808 1.520 1.00 0.00 N ATOM 1218 CA ARG A 82 -3.572 -11.161 2.063 1.00 0.00 C ATOM 1219 C ARG A 82 -3.793 -12.184 0.953 1.00 0.00 C ATOM 1220 O ARG A 82 -3.238 -13.283 0.986 1.00 0.00 O ATOM 1221 CB ARG A 82 -4.687 -11.273 3.104 1.00 0.00 C ATOM 1222 CG ARG A 82 -4.731 -12.622 3.805 1.00 0.00 C ATOM 1223 CD ARG A 82 -5.610 -13.610 3.056 1.00 0.00 C ATOM 1224 NE ARG A 82 -5.579 -14.938 3.663 1.00 0.00 N ATOM 1225 CZ ARG A 82 -6.553 -15.831 3.529 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -7.630 -15.539 2.811 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -6.453 -17.019 4.112 1.00 0.00 N ATOM 0 H ARG A 82 -4.300 -9.211 1.803 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.615 -11.370 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.556 -10.489 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.646 -11.094 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.721 -13.023 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.108 -12.494 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.636 -13.243 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.279 -13.677 2.020 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.764 -15.194 4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.711 -14.627 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.377 -16.226 2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.627 -17.248 4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.202 -17.703 4.008 1.00 0.00 H new ATOM 1241 N LYS A 83 -4.608 -11.817 -0.030 1.00 0.00 N ATOM 1242 CA LYS A 83 -4.903 -12.701 -1.152 1.00 0.00 C ATOM 1243 C LYS A 83 -3.620 -13.134 -1.854 1.00 0.00 C ATOM 1244 O LYS A 83 -3.416 -14.320 -2.115 1.00 0.00 O ATOM 1245 CB LYS A 83 -5.832 -12.003 -2.148 1.00 0.00 C ATOM 1246 CG LYS A 83 -6.390 -12.931 -3.212 1.00 0.00 C ATOM 1247 CD LYS A 83 -7.646 -13.639 -2.733 1.00 0.00 C ATOM 1248 CE LYS A 83 -7.331 -15.018 -2.173 1.00 0.00 C ATOM 1249 NZ LYS A 83 -7.420 -16.074 -3.218 1.00 0.00 N ATOM 0 H LYS A 83 -5.077 -10.912 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.401 -13.589 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.660 -11.549 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.288 -11.193 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.615 -12.360 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.636 -13.670 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.134 -13.037 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.349 -13.733 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.329 -15.015 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.024 -15.248 -1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.199 -16.999 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.383 -16.094 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.741 -15.868 -3.978 1.00 0.00 H new ATOM 1263 N ILE A 84 -2.761 -12.168 -2.156 1.00 0.00 N ATOM 1264 CA ILE A 84 -1.497 -12.451 -2.826 1.00 0.00 C ATOM 1265 C ILE A 84 -0.498 -13.090 -1.867 1.00 0.00 C ATOM 1266 O ILE A 84 0.439 -13.766 -2.290 1.00 0.00 O ATOM 1267 CB ILE A 84 -0.877 -11.174 -3.421 1.00 0.00 C ATOM 1268 CG1 ILE A 84 -0.567 -10.167 -2.310 1.00 0.00 C ATOM 1269 CG2 ILE A 84 -1.811 -10.562 -4.453 1.00 0.00 C ATOM 1270 CD1 ILE A 84 0.315 -9.023 -2.761 1.00 0.00 C ATOM 0 H ILE A 84 -2.916 -11.182 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.717 -13.148 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 84 0.057 -11.438 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.503 -9.763 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.081 -10.687 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.358 -9.660 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.986 -11.278 -5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.760 -10.308 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.493 -8.349 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.266 -9.416 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.179 -8.479 -3.566 1.00 0.00 H new ATOM 1282 N GLY A 85 -0.707 -12.873 -0.572 1.00 0.00 N ATOM 1283 CA GLY A 85 0.183 -13.435 0.427 1.00 0.00 C ATOM 1284 C GLY A 85 0.728 -12.386 1.375 1.00 0.00 C ATOM 1285 O GLY A 85 1.829 -11.873 1.178 1.00 0.00 O ATOM 0 H GLY A 85 -1.476 -12.318 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.351 -14.194 0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.013 -13.936 -0.071 1.00 0.00 H new ATOM 1289 N ALA A 86 -0.045 -12.064 2.407 1.00 0.00 N ATOM 1290 CA ALA A 86 0.367 -11.069 3.389 1.00 0.00 C ATOM 1291 C ALA A 86 -0.638 -10.978 4.533 1.00 0.00 C ATOM 1292 O ALA A 86 -1.739 -10.452 4.365 1.00 0.00 O ATOM 1293 CB ALA A 86 0.537 -9.711 2.725 1.00 0.00 C ATOM 0 H ALA A 86 -0.960 -12.478 2.585 1.00 0.00 H new ATOM 0 HA ALA A 86 1.325 -11.380 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.845 -8.978 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.297 -9.779 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.409 -9.402 2.281 1.00 0.00 H new ATOM 1299 N ARG A 87 -0.252 -11.495 5.695 1.00 0.00 N ATOM 1300 CA ARG A 87 -1.120 -11.474 6.867 1.00 0.00 C ATOM 1301 C ARG A 87 -1.084 -10.107 7.545 1.00 0.00 C ATOM 1302 O ARG A 87 -0.247 -9.854 8.411 1.00 0.00 O ATOM 1303 CB ARG A 87 -0.700 -12.559 7.860 1.00 0.00 C ATOM 1304 CG ARG A 87 -0.841 -13.971 7.314 1.00 0.00 C ATOM 1305 CD ARG A 87 -0.883 -14.999 8.434 1.00 0.00 C ATOM 1306 NE ARG A 87 0.385 -15.074 9.156 1.00 0.00 N ATOM 1307 CZ ARG A 87 1.425 -15.786 8.739 1.00 0.00 C ATOM 1308 NH1 ARG A 87 1.351 -16.481 7.613 1.00 0.00 N ATOM 1309 NH2 ARG A 87 2.545 -15.805 9.452 1.00 0.00 N ATOM 0 H ARG A 87 0.656 -11.933 5.850 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.140 -11.670 6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.337 -12.392 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.303 -12.466 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.751 -14.043 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.006 -14.190 6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.682 -14.744 9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.122 -15.978 8.019 1.00 0.00 H new ATOM 0 HE ARG A 87 0.476 -14.551 10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.492 -16.470 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.153 -17.026 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.606 -15.273 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.344 -16.352 9.132 1.00 0.00 H new ATOM 1323 N VAL A 88 -1.998 -9.229 7.145 1.00 0.00 N ATOM 1324 CA VAL A 88 -2.072 -7.889 7.715 1.00 0.00 C ATOM 1325 C VAL A 88 -3.111 -7.822 8.828 1.00 0.00 C ATOM 1326 O VAL A 88 -4.249 -8.259 8.657 1.00 0.00 O ATOM 1327 CB VAL A 88 -2.418 -6.841 6.640 1.00 0.00 C ATOM 1328 CG1 VAL A 88 -2.440 -5.445 7.244 1.00 0.00 C ATOM 1329 CG2 VAL A 88 -1.431 -6.917 5.485 1.00 0.00 C ATOM 0 H VAL A 88 -2.698 -9.422 6.428 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.088 -7.665 8.127 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.413 -7.058 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.686 -4.718 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.190 -5.402 8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.460 -5.214 7.661 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.690 -6.170 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.423 -6.726 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.471 -7.910 5.037 1.00 0.00 H new ATOM 1339 N TYR A 89 -2.712 -7.270 9.969 1.00 0.00 N ATOM 1340 CA TYR A 89 -3.609 -7.146 11.112 1.00 0.00 C ATOM 1341 C TYR A 89 -4.103 -5.711 11.264 1.00 0.00 C ATOM 1342 O TYR A 89 -3.943 -5.096 12.317 1.00 0.00 O ATOM 1343 CB TYR A 89 -2.899 -7.591 12.393 1.00 0.00 C ATOM 1344 CG TYR A 89 -3.847 -7.977 13.506 1.00 0.00 C ATOM 1345 CD1 TYR A 89 -4.443 -9.232 13.534 1.00 0.00 C ATOM 1346 CD2 TYR A 89 -4.144 -7.088 14.532 1.00 0.00 C ATOM 1347 CE1 TYR A 89 -5.310 -9.589 14.548 1.00 0.00 C ATOM 1348 CE2 TYR A 89 -5.008 -7.438 15.552 1.00 0.00 C ATOM 1349 CZ TYR A 89 -5.589 -8.689 15.556 1.00 0.00 C ATOM 1350 OH TYR A 89 -6.450 -9.041 16.568 1.00 0.00 O ATOM 0 H TYR A 89 -1.774 -6.902 10.127 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.470 -7.791 10.938 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.254 -8.440 12.165 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.253 -6.784 12.740 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.224 -9.941 12.749 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.692 -6.107 14.532 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.767 -10.567 14.552 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.227 -6.735 16.342 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.538 -8.295 17.197 1.00 0.00 H new ATOM 1360 N ALA A 90 -4.707 -5.185 10.203 1.00 0.00 N ATOM 1361 CA ALA A 90 -5.228 -3.824 10.217 1.00 0.00 C ATOM 1362 C ALA A 90 -6.716 -3.803 9.881 1.00 0.00 C ATOM 1363 O ALA A 90 -7.327 -4.849 9.656 1.00 0.00 O ATOM 1364 CB ALA A 90 -4.453 -2.951 9.242 1.00 0.00 C ATOM 0 H ALA A 90 -4.847 -5.681 9.323 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.103 -3.424 11.223 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -4.854 -1.937 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.401 -2.932 9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.548 -3.357 8.235 1.00 0.00 H new ATOM 1370 N LEU A 91 -7.293 -2.607 9.850 1.00 0.00 N ATOM 1371 CA LEU A 91 -8.710 -2.449 9.541 1.00 0.00 C ATOM 1372 C LEU A 91 -8.917 -1.406 8.448 1.00 0.00 C ATOM 1373 O LEU A 91 -8.311 -0.334 8.455 1.00 0.00 O ATOM 1374 CB LEU A 91 -9.484 -2.047 10.798 1.00 0.00 C ATOM 1375 CG LEU A 91 -10.991 -2.310 10.772 1.00 0.00 C ATOM 1376 CD1 LEU A 91 -11.272 -3.804 10.822 1.00 0.00 C ATOM 1377 CD2 LEU A 91 -11.677 -1.598 11.928 1.00 0.00 C ATOM 0 H LEU A 91 -6.802 -1.732 10.035 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.086 -3.406 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.057 -2.579 11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.324 -0.983 10.974 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.393 -1.916 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.349 -3.973 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.813 -4.290 9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.856 -4.222 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.748 -1.796 11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.271 -1.962 12.872 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.504 -0.525 11.848 1.00 0.00 H new ATOM 1389 N PRO A 92 -9.796 -1.724 7.485 1.00 0.00 N ATOM 1390 CA PRO A 92 -10.105 -0.827 6.368 1.00 0.00 C ATOM 1391 C PRO A 92 -10.889 0.403 6.813 1.00 0.00 C ATOM 1392 O PRO A 92 -10.924 1.414 6.112 1.00 0.00 O ATOM 1393 CB PRO A 92 -10.956 -1.696 5.439 1.00 0.00 C ATOM 1394 CG PRO A 92 -11.567 -2.720 6.332 1.00 0.00 C ATOM 1395 CD PRO A 92 -10.554 -2.985 7.412 1.00 0.00 C ATOM 0 HA PRO A 92 -9.203 -0.435 5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.720 -1.105 4.934 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.347 -2.160 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.504 -2.359 6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.797 -3.632 5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.032 -3.222 8.362 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.910 -3.827 7.161 1.00 0.00 H new ATOM 1403 N GLU A 93 -11.516 0.309 7.981 1.00 0.00 N ATOM 1404 CA GLU A 93 -12.299 1.415 8.518 1.00 0.00 C ATOM 1405 C GLU A 93 -11.394 2.565 8.950 1.00 0.00 C ATOM 1406 O GLU A 93 -11.752 3.735 8.817 1.00 0.00 O ATOM 1407 CB GLU A 93 -13.144 0.943 9.704 1.00 0.00 C ATOM 1408 CG GLU A 93 -14.218 -0.063 9.324 1.00 0.00 C ATOM 1409 CD GLU A 93 -15.461 0.597 8.759 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -15.641 1.812 8.984 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -16.252 -0.101 8.091 1.00 0.00 O ATOM 0 H GLU A 93 -11.497 -0.521 8.573 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.961 1.773 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.488 0.497 10.452 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.617 1.808 10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.815 -0.759 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.489 -0.649 10.202 1.00 0.00 H new ATOM 1418 N ASP A 94 -10.220 2.221 9.470 1.00 0.00 N ATOM 1419 CA ASP A 94 -9.262 3.223 9.921 1.00 0.00 C ATOM 1420 C ASP A 94 -8.453 3.770 8.749 1.00 0.00 C ATOM 1421 O ASP A 94 -8.164 4.965 8.684 1.00 0.00 O ATOM 1422 CB ASP A 94 -8.323 2.626 10.971 1.00 0.00 C ATOM 1423 CG ASP A 94 -9.024 2.354 12.287 1.00 0.00 C ATOM 1424 OD1 ASP A 94 -9.765 1.351 12.368 1.00 0.00 O ATOM 1425 OD2 ASP A 94 -8.833 3.142 13.237 1.00 0.00 O ATOM 0 H ASP A 94 -9.910 1.257 9.589 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.819 4.046 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.900 1.697 10.589 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.491 3.309 11.140 1.00 0.00 H new ATOM 1430 N LEU A 95 -8.089 2.887 7.826 1.00 0.00 N ATOM 1431 CA LEU A 95 -7.312 3.280 6.656 1.00 0.00 C ATOM 1432 C LEU A 95 -7.989 4.426 5.912 1.00 0.00 C ATOM 1433 O LEU A 95 -7.324 5.320 5.388 1.00 0.00 O ATOM 1434 CB LEU A 95 -7.128 2.086 5.717 1.00 0.00 C ATOM 1435 CG LEU A 95 -6.516 2.396 4.351 1.00 0.00 C ATOM 1436 CD1 LEU A 95 -5.139 3.019 4.511 1.00 0.00 C ATOM 1437 CD2 LEU A 95 -6.437 1.133 3.504 1.00 0.00 C ATOM 0 H LEU A 95 -8.319 1.894 7.865 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.335 3.620 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.498 1.350 6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.100 1.619 5.560 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.159 3.113 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.720 3.232 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.223 3.946 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.486 2.326 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.999 1.372 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.817 0.394 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.439 0.728 3.360 1.00 0.00 H new ATOM 1449 N VAL A 96 -9.318 4.396 5.871 1.00 0.00 N ATOM 1450 CA VAL A 96 -10.086 5.434 5.196 1.00 0.00 C ATOM 1451 C VAL A 96 -9.639 6.824 5.636 1.00 0.00 C ATOM 1452 O VAL A 96 -9.512 7.733 4.818 1.00 0.00 O ATOM 1453 CB VAL A 96 -11.595 5.282 5.466 1.00 0.00 C ATOM 1454 CG1 VAL A 96 -12.350 6.512 4.987 1.00 0.00 C ATOM 1455 CG2 VAL A 96 -12.131 4.023 4.800 1.00 0.00 C ATOM 0 H VAL A 96 -9.884 3.663 6.298 1.00 0.00 H new ATOM 0 HA VAL A 96 -9.902 5.318 4.128 1.00 0.00 H new ATOM 0 HB VAL A 96 -11.747 5.189 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.414 6.386 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.984 7.392 5.515 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.194 6.640 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.198 3.931 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.968 4.083 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.611 3.151 5.197 1.00 0.00 H new ATOM 1465 N GLU A 97 -9.402 6.979 6.935 1.00 0.00 N ATOM 1466 CA GLU A 97 -8.970 8.258 7.485 1.00 0.00 C ATOM 1467 C GLU A 97 -7.457 8.282 7.684 1.00 0.00 C ATOM 1468 O GLU A 97 -6.961 8.768 8.701 1.00 0.00 O ATOM 1469 CB GLU A 97 -9.675 8.532 8.814 1.00 0.00 C ATOM 1470 CG GLU A 97 -11.175 8.732 8.678 1.00 0.00 C ATOM 1471 CD GLU A 97 -11.785 9.419 9.885 1.00 0.00 C ATOM 1472 OE1 GLU A 97 -11.530 10.628 10.069 1.00 0.00 O ATOM 1473 OE2 GLU A 97 -12.516 8.750 10.643 1.00 0.00 O ATOM 0 H GLU A 97 -9.502 6.235 7.625 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.238 9.039 6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -9.488 7.700 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.239 9.420 9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.379 9.324 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.655 7.764 8.535 1.00 0.00 H new ATOM 1480 N VAL A 98 -6.729 7.750 6.707 1.00 0.00 N ATOM 1481 CA VAL A 98 -5.273 7.710 6.774 1.00 0.00 C ATOM 1482 C VAL A 98 -4.793 7.530 8.210 1.00 0.00 C ATOM 1483 O VAL A 98 -3.905 8.242 8.673 1.00 0.00 O ATOM 1484 CB VAL A 98 -4.649 8.993 6.194 1.00 0.00 C ATOM 1485 CG1 VAL A 98 -3.140 8.843 6.069 1.00 0.00 C ATOM 1486 CG2 VAL A 98 -5.272 9.327 4.847 1.00 0.00 C ATOM 0 H VAL A 98 -7.124 7.341 5.860 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.953 6.856 6.177 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.854 9.817 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.716 9.759 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.710 8.654 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.911 8.008 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.819 10.236 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.100 8.505 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.344 9.480 4.970 1.00 0.00 H new ATOM 1496 N ASN A 99 -5.390 6.569 8.910 1.00 0.00 N ATOM 1497 CA ASN A 99 -5.024 6.295 10.295 1.00 0.00 C ATOM 1498 C ASN A 99 -3.749 5.461 10.365 1.00 0.00 C ATOM 1499 O ASN A 99 -3.716 4.295 9.968 1.00 0.00 O ATOM 1500 CB ASN A 99 -6.162 5.566 11.011 1.00 0.00 C ATOM 1501 CG ASN A 99 -7.182 6.523 11.600 1.00 0.00 C ATOM 1502 OD1 ASN A 99 -6.867 7.675 11.898 1.00 0.00 O ATOM 1503 ND2 ASN A 99 -8.410 6.047 11.769 1.00 0.00 N ATOM 0 H ASN A 99 -6.128 5.969 8.541 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.843 7.248 10.792 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.659 4.896 10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.749 4.945 11.806 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.139 6.644 12.161 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -8.625 5.085 11.507 1.00 0.00 H new ATOM 1510 N PRO A 100 -2.671 6.069 10.884 1.00 0.00 N ATOM 1511 CA PRO A 100 -1.374 5.401 11.019 1.00 0.00 C ATOM 1512 C PRO A 100 -1.391 4.311 12.085 1.00 0.00 C ATOM 1513 O PRO A 100 -0.428 3.558 12.234 1.00 0.00 O ATOM 1514 CB PRO A 100 -0.432 6.535 11.430 1.00 0.00 C ATOM 1515 CG PRO A 100 -1.314 7.541 12.086 1.00 0.00 C ATOM 1516 CD PRO A 100 -2.637 7.456 11.376 1.00 0.00 C ATOM 0 HA PRO A 100 -1.079 4.895 10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.340 6.180 12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.078 6.959 10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.427 7.327 13.149 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.891 8.542 12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.469 7.664 12.049 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.701 8.174 10.559 1.00 0.00 H new ATOM 1524 N LYS A 101 -2.492 4.231 12.825 1.00 0.00 N ATOM 1525 CA LYS A 101 -2.636 3.232 13.877 1.00 0.00 C ATOM 1526 C LYS A 101 -2.716 1.828 13.286 1.00 0.00 C ATOM 1527 O LYS A 101 -2.235 0.865 13.883 1.00 0.00 O ATOM 1528 CB LYS A 101 -3.888 3.517 14.710 1.00 0.00 C ATOM 1529 CG LYS A 101 -3.885 4.888 15.362 1.00 0.00 C ATOM 1530 CD LYS A 101 -2.812 4.994 16.432 1.00 0.00 C ATOM 1531 CE LYS A 101 -2.973 6.261 17.260 1.00 0.00 C ATOM 1532 NZ LYS A 101 -2.092 6.254 18.461 1.00 0.00 N ATOM 0 H LYS A 101 -3.298 4.847 12.715 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.758 3.288 14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.767 3.430 14.071 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.980 2.756 15.485 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.720 5.653 14.603 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.862 5.084 15.804 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.861 4.123 17.085 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.828 4.987 15.964 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.740 7.130 16.644 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.012 6.361 17.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.231 7.133 18.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.331 5.439 19.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.098 6.184 18.162 1.00 0.00 H new ATOM 1546 N MET A 102 -3.323 1.719 12.109 1.00 0.00 N ATOM 1547 CA MET A 102 -3.462 0.432 11.437 1.00 0.00 C ATOM 1548 C MET A 102 -2.472 0.313 10.282 1.00 0.00 C ATOM 1549 O MET A 102 -1.886 -0.746 10.060 1.00 0.00 O ATOM 1550 CB MET A 102 -4.891 0.254 10.919 1.00 0.00 C ATOM 1551 CG MET A 102 -5.932 0.183 12.025 1.00 0.00 C ATOM 1552 SD MET A 102 -5.629 -1.168 13.179 1.00 0.00 S ATOM 1553 CE MET A 102 -6.387 -0.518 14.666 1.00 0.00 C ATOM 0 H MET A 102 -3.726 2.506 11.601 1.00 0.00 H new ATOM 0 HA MET A 102 -3.246 -0.353 12.161 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.134 1.083 10.255 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.942 -0.657 10.323 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.941 1.126 12.571 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.920 0.062 11.581 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.282 -1.242 15.474 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.896 0.414 14.947 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.445 -0.330 14.483 1.00 0.00 H new ATOM 1563 N VAL A 103 -2.291 1.406 9.548 1.00 0.00 N ATOM 1564 CA VAL A 103 -1.371 1.424 8.417 1.00 0.00 C ATOM 1565 C VAL A 103 0.005 0.904 8.818 1.00 0.00 C ATOM 1566 O VAL A 103 0.808 0.524 7.968 1.00 0.00 O ATOM 1567 CB VAL A 103 -1.222 2.843 7.836 1.00 0.00 C ATOM 1568 CG1 VAL A 103 -0.228 2.848 6.686 1.00 0.00 C ATOM 1569 CG2 VAL A 103 -2.574 3.378 7.386 1.00 0.00 C ATOM 0 H VAL A 103 -2.769 2.291 9.716 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.795 0.770 7.655 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.839 3.499 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.136 3.859 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 103 0.744 2.509 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.578 2.179 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.451 4.381 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.988 2.723 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.253 3.413 8.238 1.00 0.00 H new ATOM 1579 N MET A 104 0.269 0.892 10.121 1.00 0.00 N ATOM 1580 CA MET A 104 1.549 0.416 10.635 1.00 0.00 C ATOM 1581 C MET A 104 1.894 -0.951 10.056 1.00 0.00 C ATOM 1582 O MET A 104 3.051 -1.227 9.736 1.00 0.00 O ATOM 1583 CB MET A 104 1.511 0.341 12.163 1.00 0.00 C ATOM 1584 CG MET A 104 0.345 -0.472 12.703 1.00 0.00 C ATOM 1585 SD MET A 104 0.613 -1.029 14.397 1.00 0.00 S ATOM 1586 CE MET A 104 -0.444 -2.475 14.448 1.00 0.00 C ATOM 0 H MET A 104 -0.384 1.206 10.839 1.00 0.00 H new ATOM 0 HA MET A 104 2.320 1.124 10.331 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.444 -0.095 12.520 1.00 0.00 H new ATOM 0 HB3 MET A 104 1.456 1.352 12.567 1.00 0.00 H new ATOM 0 HG2 MET A 104 -0.563 0.130 12.662 1.00 0.00 H new ATOM 0 HG3 MET A 104 0.183 -1.338 12.061 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.387 -2.933 15.436 1.00 0.00 H new ATOM 0 HE2 MET A 104 -1.473 -2.181 14.243 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.116 -3.192 13.696 1.00 0.00 H new ATOM 1596 N THR A 105 0.884 -1.805 9.921 1.00 0.00 N ATOM 1597 CA THR A 105 1.081 -3.144 9.380 1.00 0.00 C ATOM 1598 C THR A 105 0.746 -3.192 7.895 1.00 0.00 C ATOM 1599 O THR A 105 1.395 -3.900 7.124 1.00 0.00 O ATOM 1600 CB THR A 105 0.219 -4.181 10.123 1.00 0.00 C ATOM 1601 OG1 THR A 105 0.474 -5.492 9.604 1.00 0.00 O ATOM 1602 CG2 THR A 105 -1.260 -3.855 9.985 1.00 0.00 C ATOM 0 H THR A 105 -0.080 -1.593 10.179 1.00 0.00 H new ATOM 0 HA THR A 105 2.134 -3.390 9.519 1.00 0.00 H new ATOM 0 HB THR A 105 0.484 -4.150 11.180 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.191 -6.164 10.259 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.848 -4.602 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.456 -2.869 10.407 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.537 -3.860 8.931 1.00 0.00 H new ATOM 1610 N VAL A 106 -0.270 -2.434 7.496 1.00 0.00 N ATOM 1611 CA VAL A 106 -0.690 -2.388 6.101 1.00 0.00 C ATOM 1612 C VAL A 106 0.514 -2.372 5.165 1.00 0.00 C ATOM 1613 O VAL A 106 0.776 -3.345 4.458 1.00 0.00 O ATOM 1614 CB VAL A 106 -1.562 -1.151 5.817 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -1.938 -1.089 4.345 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -2.806 -1.164 6.693 1.00 0.00 C ATOM 0 H VAL A 106 -0.818 -1.842 8.120 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.278 -3.287 5.918 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.985 -0.258 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.554 -0.208 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.033 -1.029 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.497 -1.985 4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -3.411 -0.283 6.479 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.388 -2.062 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.512 -1.156 7.743 1.00 0.00 H new ATOM 1626 N PHE A 107 1.243 -1.262 5.167 1.00 0.00 N ATOM 1627 CA PHE A 107 2.420 -1.119 4.317 1.00 0.00 C ATOM 1628 C PHE A 107 3.560 -2.005 4.813 1.00 0.00 C ATOM 1629 O PHE A 107 4.135 -2.780 4.050 1.00 0.00 O ATOM 1630 CB PHE A 107 2.874 0.341 4.279 1.00 0.00 C ATOM 1631 CG PHE A 107 2.182 1.157 3.224 1.00 0.00 C ATOM 1632 CD1 PHE A 107 2.271 0.803 1.888 1.00 0.00 C ATOM 1633 CD2 PHE A 107 1.443 2.277 3.569 1.00 0.00 C ATOM 1634 CE1 PHE A 107 1.637 1.553 0.915 1.00 0.00 C ATOM 1635 CE2 PHE A 107 0.806 3.029 2.601 1.00 0.00 C ATOM 1636 CZ PHE A 107 0.902 2.666 1.272 1.00 0.00 C ATOM 0 H PHE A 107 1.040 -0.448 5.747 1.00 0.00 H new ATOM 0 HA PHE A 107 2.150 -1.434 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 107 2.694 0.794 5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 107 3.950 0.374 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 107 2.842 -0.068 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 107 1.364 2.565 4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 107 1.717 1.268 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.233 3.900 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.403 3.251 0.514 1.00 0.00 H new ATOM 1646 N ALA A 108 3.879 -1.883 6.098 1.00 0.00 N ATOM 1647 CA ALA A 108 4.948 -2.672 6.696 1.00 0.00 C ATOM 1648 C ALA A 108 4.973 -4.086 6.124 1.00 0.00 C ATOM 1649 O ALA A 108 5.988 -4.530 5.586 1.00 0.00 O ATOM 1650 CB ALA A 108 4.788 -2.717 8.208 1.00 0.00 C ATOM 0 H ALA A 108 3.412 -1.246 6.744 1.00 0.00 H new ATOM 0 HA ALA A 108 5.897 -2.193 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.593 -3.310 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.827 -1.704 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.829 -3.170 8.459 1.00 0.00 H new ATOM 1656 N CYS A 109 3.852 -4.789 6.245 1.00 0.00 N ATOM 1657 CA CYS A 109 3.747 -6.153 5.742 1.00 0.00 C ATOM 1658 C CYS A 109 4.262 -6.244 4.309 1.00 0.00 C ATOM 1659 O CYS A 109 5.005 -7.163 3.962 1.00 0.00 O ATOM 1660 CB CYS A 109 2.296 -6.632 5.806 1.00 0.00 C ATOM 1661 SG CYS A 109 1.810 -7.300 7.415 1.00 0.00 S ATOM 0 H CYS A 109 3.003 -4.436 6.687 1.00 0.00 H new ATOM 0 HA CYS A 109 4.362 -6.795 6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 109 1.638 -5.799 5.556 1.00 0.00 H new ATOM 0 HB3 CYS A 109 2.143 -7.398 5.045 1.00 0.00 H new ATOM 0 HG CYS A 109 1.266 -6.360 8.129 1.00 0.00 H new ATOM 1667 N LEU A 110 3.861 -5.287 3.479 1.00 0.00 N ATOM 1668 CA LEU A 110 4.281 -5.260 2.082 1.00 0.00 C ATOM 1669 C LEU A 110 5.790 -5.072 1.970 1.00 0.00 C ATOM 1670 O LEU A 110 6.415 -5.544 1.021 1.00 0.00 O ATOM 1671 CB LEU A 110 3.558 -4.138 1.334 1.00 0.00 C ATOM 1672 CG LEU A 110 2.049 -4.310 1.161 1.00 0.00 C ATOM 1673 CD1 LEU A 110 1.429 -3.045 0.590 1.00 0.00 C ATOM 1674 CD2 LEU A 110 1.746 -5.504 0.267 1.00 0.00 C ATOM 0 H LEU A 110 3.246 -4.520 3.749 1.00 0.00 H new ATOM 0 HA LEU A 110 4.019 -6.217 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.738 -3.202 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.008 -4.039 0.346 1.00 0.00 H new ATOM 0 HG LEU A 110 1.610 -4.495 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.355 -3.187 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.614 -2.211 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.873 -2.829 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.667 -5.611 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.198 -5.349 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.155 -6.409 0.717 1.00 0.00 H new