USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 725 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 74 GLN : amide:sc= -1.8! C(o=-1.5!,f=-7.4!) USER MOD Set 1.2: A 78 ASN : amide:sc= 0.344 K(o=-1.5,f=-8.6) USER MOD Set 2.1: A 7 SER OG : rot 140:sc= 0.187 USER MOD Set 2.2: A 37 THR OG1 : rot -159:sc= 0.0586 USER MOD Set 3.1: A 29 LYS NZ :NH3+ -140:sc= -0.772 (180deg=-3.24!) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 0.228 USER MOD Set 4.1: A 21 THR OG1 : rot 141:sc= 0.243 USER MOD Set 4.2: A 23 ASN : amide:sc= 0.639 K(o=0.88,f=-1.3) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 1 HIS N :NH3+ -178:sc= 0 (180deg=-0.00343) USER MOD Single : A 2 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 3 HIS : no HE2:sc= 0.446 K(o=0.45,f=-3.5!) USER MOD Single : A 4 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.48) USER MOD Single : A 5 HIS : no HE2:sc= -0.143 K(o=0.26,f=-3) USER MOD Single : A 6 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.059) USER MOD Single : A 8 HIS : no HE2:sc= 0.222 K(o=0.22,f=-1.7!) USER MOD Single : A 9 MET CE :methyl 145:sc= -0.143 (180deg=-0.52) USER MOD Single : A 13 THR OG1 : rot -117:sc= -0.602 USER MOD Single : A 19 HIS : no HE2:sc= -0.295 K(o=-0.29,f=-2.1!) USER MOD Single : A 20 GLN : amide:sc= -0.0796 K(o=-0.08,f=-2.9!) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.131 (180deg=-0.545) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 38 THR OG1 : rot -50:sc= 0.382 USER MOD Single : A 40 THR OG1 : rot -47:sc= 0.532 USER MOD Single : A 43 LYS NZ :NH3+ -140:sc= -0.0228 (180deg=-1.59!) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 55 HIS : no HE2:sc= 0.172 K(o=0.17,f=-1.7) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0224) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0847 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.045 -24.443 13.944 1.00 75.00 N ATOM 2 CA HIS A 1 -1.841 -24.114 12.523 1.00 75.00 C ATOM 3 C HIS A 1 -0.986 -22.837 12.372 1.00 75.00 C ATOM 4 O HIS A 1 -1.337 -21.776 12.909 1.00 75.00 O ATOM 5 CB HIS A 1 -3.202 -23.985 11.790 1.00 75.00 C ATOM 6 CG HIS A 1 -3.975 -25.275 11.698 1.00 75.00 C ATOM 7 ND1 HIS A 1 -5.332 -25.365 11.903 1.00 75.00 N ATOM 8 CD2 HIS A 1 -3.565 -26.533 11.412 1.00 75.00 C ATOM 9 CE1 HIS A 1 -5.716 -26.613 11.752 1.00 75.00 C ATOM 10 NE2 HIS A 1 -4.667 -27.340 11.453 1.00 75.00 N ATOM 0 H1 HIS A 1 -2.593 -25.323 14.021 1.00 75.00 H new ATOM 0 H2 HIS A 1 -1.122 -24.568 14.407 1.00 75.00 H new ATOM 0 H3 HIS A 1 -2.564 -23.670 14.408 1.00 75.00 H new ATOM 0 HA HIS A 1 -1.292 -24.930 12.054 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -3.812 -23.244 12.307 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -3.026 -23.607 10.783 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -2.554 -26.842 11.192 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -6.727 -26.978 11.857 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -4.672 -28.345 11.279 1.00 75.00 H new ATOM 21 N HIS A 2 0.149 -22.975 11.658 1.00 75.00 N ATOM 22 CA HIS A 2 1.093 -21.886 11.358 1.00 75.00 C ATOM 23 C HIS A 2 1.972 -22.288 10.161 1.00 75.00 C ATOM 24 O HIS A 2 2.276 -23.476 9.997 1.00 75.00 O ATOM 25 CB HIS A 2 1.965 -21.547 12.599 1.00 75.00 C ATOM 26 CG HIS A 2 2.805 -22.677 13.169 1.00 75.00 C ATOM 27 ND1 HIS A 2 2.470 -23.346 14.326 1.00 75.00 N ATOM 28 CD2 HIS A 2 3.986 -23.216 12.765 1.00 75.00 C ATOM 29 CE1 HIS A 2 3.398 -24.237 14.604 1.00 75.00 C ATOM 30 NE2 HIS A 2 4.323 -24.177 13.672 1.00 75.00 N ATOM 0 H HIS A 2 0.440 -23.870 11.265 1.00 75.00 H new ATOM 0 HA HIS A 2 0.530 -20.989 11.101 1.00 75.00 H new ATOM 0 HB2 HIS A 2 2.632 -20.727 12.333 1.00 75.00 H new ATOM 0 HB3 HIS A 2 1.308 -21.180 13.387 1.00 75.00 H new ATOM 0 HD2 HIS A 2 4.552 -22.935 11.889 1.00 75.00 H new ATOM 0 HE1 HIS A 2 3.399 -24.904 15.453 1.00 75.00 H new ATOM 0 HE2 HIS A 2 5.161 -24.758 13.633 1.00 75.00 H new ATOM 39 N HIS A 3 2.400 -21.301 9.345 1.00 75.00 N ATOM 40 CA HIS A 3 3.151 -21.583 8.101 1.00 75.00 C ATOM 41 C HIS A 3 3.887 -20.320 7.608 1.00 75.00 C ATOM 42 O HIS A 3 3.340 -19.222 7.683 1.00 75.00 O ATOM 43 CB HIS A 3 2.185 -22.106 6.994 1.00 75.00 C ATOM 44 CG HIS A 3 2.861 -22.874 5.885 1.00 75.00 C ATOM 45 ND1 HIS A 3 3.727 -22.299 4.987 1.00 75.00 N ATOM 46 CD2 HIS A 3 2.798 -24.184 5.542 1.00 75.00 C ATOM 47 CE1 HIS A 3 4.161 -23.214 4.148 1.00 75.00 C ATOM 48 NE2 HIS A 3 3.613 -24.361 4.464 1.00 75.00 N ATOM 0 H HIS A 3 2.240 -20.309 9.522 1.00 75.00 H new ATOM 0 HA HIS A 3 3.893 -22.352 8.317 1.00 75.00 H new ATOM 0 HB2 HIS A 3 1.435 -22.747 7.457 1.00 75.00 H new ATOM 0 HB3 HIS A 3 1.656 -21.257 6.561 1.00 75.00 H new ATOM 0 HD1 HIS A 3 3.992 -21.314 4.973 1.00 75.00 H new ATOM 0 HD2 HIS A 3 2.211 -24.946 6.032 1.00 75.00 H new ATOM 0 HE1 HIS A 3 4.853 -23.048 3.335 1.00 75.00 H new ATOM 57 N HIS A 4 5.110 -20.509 7.060 1.00 75.00 N ATOM 58 CA HIS A 4 5.974 -19.405 6.558 1.00 75.00 C ATOM 59 C HIS A 4 5.551 -18.934 5.148 1.00 75.00 C ATOM 60 O HIS A 4 4.810 -19.624 4.443 1.00 75.00 O ATOM 61 CB HIS A 4 7.459 -19.862 6.482 1.00 75.00 C ATOM 62 CG HIS A 4 8.121 -20.173 7.799 1.00 75.00 C ATOM 63 ND1 HIS A 4 9.165 -19.433 8.311 1.00 75.00 N ATOM 64 CD2 HIS A 4 7.937 -21.193 8.666 1.00 75.00 C ATOM 65 CE1 HIS A 4 9.589 -19.990 9.422 1.00 75.00 C ATOM 66 NE2 HIS A 4 8.861 -21.057 9.658 1.00 75.00 N ATOM 0 H HIS A 4 5.530 -21.432 6.951 1.00 75.00 H new ATOM 0 HA HIS A 4 5.860 -18.581 7.262 1.00 75.00 H new ATOM 0 HB2 HIS A 4 7.514 -20.750 5.852 1.00 75.00 H new ATOM 0 HB3 HIS A 4 8.034 -19.081 5.984 1.00 75.00 H new ATOM 0 HD2 HIS A 4 7.194 -21.973 8.587 1.00 75.00 H new ATOM 0 HE1 HIS A 4 10.400 -19.631 10.038 1.00 75.00 H new ATOM 0 HE2 HIS A 4 8.970 -21.683 10.456 1.00 75.00 H new ATOM 75 N HIS A 5 6.076 -17.759 4.751 1.00 75.00 N ATOM 76 CA HIS A 5 6.009 -17.261 3.365 1.00 75.00 C ATOM 77 C HIS A 5 7.208 -16.313 3.122 1.00 75.00 C ATOM 78 O HIS A 5 7.411 -15.359 3.876 1.00 75.00 O ATOM 79 CB HIS A 5 4.642 -16.566 3.070 1.00 75.00 C ATOM 80 CG HIS A 5 4.410 -15.213 3.719 1.00 75.00 C ATOM 81 ND1 HIS A 5 4.599 -14.972 5.061 1.00 75.00 N ATOM 82 CD2 HIS A 5 4.019 -14.024 3.187 1.00 75.00 C ATOM 83 CE1 HIS A 5 4.339 -13.706 5.321 1.00 75.00 C ATOM 84 NE2 HIS A 5 3.986 -13.116 4.204 1.00 75.00 N ATOM 0 H HIS A 5 6.561 -17.126 5.387 1.00 75.00 H new ATOM 0 HA HIS A 5 6.073 -18.100 2.672 1.00 75.00 H new ATOM 0 HB2 HIS A 5 4.547 -16.446 1.991 1.00 75.00 H new ATOM 0 HB3 HIS A 5 3.844 -17.237 3.388 1.00 75.00 H new ATOM 0 HD1 HIS A 5 4.895 -15.666 5.748 1.00 75.00 H new ATOM 0 HD2 HIS A 5 3.779 -13.834 2.151 1.00 75.00 H new ATOM 0 HE1 HIS A 5 4.405 -13.234 6.290 1.00 75.00 H new ATOM 93 N HIS A 6 8.031 -16.614 2.097 1.00 75.00 N ATOM 94 CA HIS A 6 9.212 -15.786 1.748 1.00 75.00 C ATOM 95 C HIS A 6 8.778 -14.564 0.902 1.00 75.00 C ATOM 96 O HIS A 6 8.993 -14.492 -0.315 1.00 75.00 O ATOM 97 CB HIS A 6 10.345 -16.640 1.074 1.00 75.00 C ATOM 98 CG HIS A 6 10.015 -17.322 -0.248 1.00 75.00 C ATOM 99 ND1 HIS A 6 10.990 -17.769 -1.125 1.00 75.00 N ATOM 100 CD2 HIS A 6 8.833 -17.658 -0.825 1.00 75.00 C ATOM 101 CE1 HIS A 6 10.415 -18.335 -2.167 1.00 75.00 C ATOM 102 NE2 HIS A 6 9.114 -18.280 -2.005 1.00 75.00 N ATOM 0 H HIS A 6 7.902 -17.426 1.493 1.00 75.00 H new ATOM 0 HA HIS A 6 9.652 -15.398 2.667 1.00 75.00 H new ATOM 0 HB2 HIS A 6 11.206 -15.991 0.913 1.00 75.00 H new ATOM 0 HB3 HIS A 6 10.654 -17.409 1.782 1.00 75.00 H new ATOM 0 HD2 HIS A 6 7.849 -17.467 -0.422 1.00 75.00 H new ATOM 0 HE1 HIS A 6 10.928 -18.771 -3.012 1.00 75.00 H new ATOM 0 HE2 HIS A 6 8.422 -18.645 -2.659 1.00 75.00 H new ATOM 111 N SER A 7 8.128 -13.618 1.587 1.00 75.00 N ATOM 112 CA SER A 7 7.468 -12.460 0.963 1.00 75.00 C ATOM 113 C SER A 7 7.241 -11.366 2.030 1.00 75.00 C ATOM 114 O SER A 7 7.755 -11.475 3.154 1.00 75.00 O ATOM 115 CB SER A 7 6.129 -12.915 0.316 1.00 75.00 C ATOM 116 OG SER A 7 5.512 -11.876 -0.426 1.00 75.00 O ATOM 0 H SER A 7 8.043 -13.632 2.603 1.00 75.00 H new ATOM 0 HA SER A 7 8.097 -12.042 0.177 1.00 75.00 H new ATOM 0 HB2 SER A 7 6.315 -13.766 -0.339 1.00 75.00 H new ATOM 0 HB3 SER A 7 5.448 -13.256 1.096 1.00 75.00 H new ATOM 0 HG SER A 7 5.132 -12.244 -1.251 1.00 75.00 H new ATOM 122 N HIS A 8 6.481 -10.315 1.663 1.00 50.00 N ATOM 123 CA HIS A 8 6.171 -9.179 2.553 1.00 50.00 C ATOM 124 C HIS A 8 5.240 -9.647 3.694 1.00 50.00 C ATOM 125 O HIS A 8 4.188 -10.252 3.438 1.00 50.00 O ATOM 126 CB HIS A 8 5.505 -8.026 1.750 1.00 50.00 C ATOM 127 CG HIS A 8 6.336 -7.478 0.604 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.663 -6.145 0.469 1.00 75.00 N ATOM 129 CD2 HIS A 8 6.881 -8.091 -0.476 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.362 -5.971 -0.631 1.00 75.00 C ATOM 131 NE2 HIS A 8 7.512 -7.132 -1.222 1.00 75.00 N ATOM 0 H HIS A 8 6.063 -10.230 0.736 1.00 50.00 H new ATOM 0 HA HIS A 8 7.100 -8.805 2.984 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.555 -8.382 1.352 1.00 50.00 H new ATOM 0 HB3 HIS A 8 5.277 -7.210 2.436 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.402 -5.407 1.123 1.00 75.00 H new ATOM 0 HD2 HIS A 8 6.827 -9.145 -0.706 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.749 -5.028 -0.989 1.00 75.00 H new ATOM 140 N MET A 9 5.647 -9.384 4.946 1.00 10.00 N ATOM 141 CA MET A 9 4.917 -9.843 6.151 1.00 10.00 C ATOM 142 C MET A 9 3.912 -8.781 6.641 1.00 10.00 C ATOM 143 O MET A 9 3.841 -7.672 6.099 1.00 50.00 O ATOM 144 CB MET A 9 5.919 -10.217 7.279 1.00 50.00 C ATOM 145 CG MET A 9 6.814 -9.060 7.756 1.00 50.00 C ATOM 146 SD MET A 9 7.933 -9.537 9.095 1.00 50.00 S ATOM 147 CE MET A 9 8.851 -10.895 8.362 1.00 75.00 C ATOM 0 H MET A 9 6.489 -8.849 5.157 1.00 10.00 H new ATOM 0 HA MET A 9 4.347 -10.732 5.881 1.00 10.00 H new ATOM 0 HB2 MET A 9 5.358 -10.599 8.132 1.00 50.00 H new ATOM 0 HB3 MET A 9 6.555 -11.029 6.926 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.400 -8.691 6.914 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.185 -8.236 8.092 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.879 -10.878 8.725 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.384 -11.841 8.638 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.848 -10.792 7.277 1.00 75.00 H new ATOM 157 N VAL A 10 3.128 -9.162 7.663 1.00 10.00 N ATOM 158 CA VAL A 10 2.136 -8.287 8.299 1.00 10.00 C ATOM 159 C VAL A 10 2.827 -7.128 9.071 1.00 10.00 C ATOM 160 O VAL A 10 3.835 -7.338 9.764 1.00 50.00 O ATOM 161 CB VAL A 10 1.187 -9.110 9.256 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.361 -10.171 8.484 1.00 50.00 C ATOM 163 CG2 VAL A 10 1.985 -9.786 10.381 1.00 50.00 C ATOM 0 H VAL A 10 3.167 -10.095 8.073 1.00 10.00 H new ATOM 0 HA VAL A 10 1.524 -7.849 7.510 1.00 10.00 H new ATOM 0 HB VAL A 10 0.491 -8.396 9.696 1.00 50.00 H new ATOM 0 HG11 VAL A 10 -0.277 -10.713 9.182 1.00 50.00 H new ATOM 0 HG12 VAL A 10 -0.258 -9.676 7.735 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.037 -10.871 7.992 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.305 -10.345 11.024 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.718 -10.467 9.949 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.499 -9.026 10.970 1.00 50.00 H new ATOM 173 N GLY A 11 2.296 -5.901 8.906 1.00 10.00 N ATOM 174 CA GLY A 11 2.848 -4.715 9.575 1.00 10.00 C ATOM 175 C GLY A 11 3.884 -3.985 8.718 1.00 10.00 C ATOM 176 O GLY A 11 4.559 -3.072 9.216 1.00 50.00 O ATOM 0 H GLY A 11 1.487 -5.709 8.315 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.036 -4.030 9.820 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.307 -5.015 10.517 1.00 10.00 H new ATOM 180 N ASP A 12 4.014 -4.406 7.431 1.00 10.00 N ATOM 181 CA ASP A 12 5.020 -3.862 6.484 1.00 10.00 C ATOM 182 C ASP A 12 4.730 -2.382 6.177 1.00 10.00 C ATOM 183 O ASP A 12 3.723 -2.065 5.552 1.00 50.00 O ATOM 184 CB ASP A 12 5.019 -4.692 5.166 1.00 50.00 C ATOM 185 CG ASP A 12 6.112 -4.321 4.137 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.965 -3.443 4.394 1.00 50.00 O ATOM 187 OD2 ASP A 12 6.116 -4.924 3.047 1.00 50.00 O ATOM 0 H ASP A 12 3.424 -5.131 7.023 1.00 10.00 H new ATOM 0 HA ASP A 12 6.004 -3.933 6.947 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.130 -5.746 5.422 1.00 50.00 H new ATOM 0 HB3 ASP A 12 4.045 -4.581 4.689 1.00 50.00 H new ATOM 192 N THR A 13 5.657 -1.497 6.569 1.00 10.00 N ATOM 193 CA THR A 13 5.469 -0.049 6.484 1.00 10.00 C ATOM 194 C THR A 13 5.565 0.419 5.016 1.00 10.00 C ATOM 195 O THR A 13 6.626 0.327 4.391 1.00 50.00 O ATOM 196 CB THR A 13 6.516 0.671 7.380 1.00 50.00 C ATOM 197 OG1 THR A 13 6.428 0.134 8.712 1.00 50.00 O ATOM 198 CG2 THR A 13 6.304 2.199 7.429 1.00 50.00 C ATOM 0 H THR A 13 6.561 -1.770 6.955 1.00 10.00 H new ATOM 0 HA THR A 13 4.474 0.209 6.848 1.00 10.00 H new ATOM 0 HB THR A 13 7.502 0.497 6.949 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.157 0.842 9.333 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.062 2.651 8.068 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.386 2.610 6.423 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.314 2.416 7.831 1.00 50.00 H new ATOM 206 N VAL A 14 4.421 0.869 4.478 1.00 10.00 N ATOM 207 CA VAL A 14 4.251 1.260 3.066 1.00 10.00 C ATOM 208 C VAL A 14 3.449 2.570 2.959 1.00 10.00 C ATOM 209 O VAL A 14 3.100 3.179 3.969 1.00 50.00 O ATOM 210 CB VAL A 14 3.527 0.131 2.238 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.376 -1.160 2.176 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.108 -0.143 2.800 1.00 50.00 C ATOM 0 H VAL A 14 3.566 0.974 5.024 1.00 10.00 H new ATOM 0 HA VAL A 14 5.247 1.410 2.649 1.00 10.00 H new ATOM 0 HB VAL A 14 3.414 0.488 1.214 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.846 -1.917 1.597 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.333 -0.944 1.700 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.549 -1.531 3.186 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.629 -0.926 2.212 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.184 -0.464 3.839 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.513 0.768 2.745 1.00 50.00 H new ATOM 222 N TRP A 15 3.173 2.981 1.713 1.00 10.00 N ATOM 223 CA TRP A 15 2.373 4.164 1.361 1.00 10.00 C ATOM 224 C TRP A 15 1.348 3.739 0.297 1.00 10.00 C ATOM 225 O TRP A 15 1.560 2.743 -0.390 1.00 50.00 O ATOM 226 CB TRP A 15 3.279 5.285 0.774 1.00 50.00 C ATOM 227 CG TRP A 15 4.338 5.839 1.710 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.270 5.968 3.071 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.621 6.364 1.331 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.416 6.538 3.554 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.262 6.789 2.507 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.285 6.513 0.113 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.531 7.356 2.501 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.549 7.074 0.107 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.160 7.490 1.294 1.00 50.00 C ATOM 0 H TRP A 15 3.513 2.480 0.892 1.00 10.00 H new ATOM 0 HA TRP A 15 1.880 4.551 2.253 1.00 10.00 H new ATOM 0 HB2 TRP A 15 3.775 4.896 -0.115 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.642 6.108 0.450 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.430 5.663 3.678 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.609 6.743 4.534 1.00 50.00 H new ATOM 0 HE3 TRP A 15 5.820 6.196 -0.809 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.003 7.679 3.417 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.073 7.193 -0.830 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.148 7.925 1.257 1.00 50.00 H new ATOM 246 N VAL A 16 0.247 4.488 0.158 1.00 10.00 N ATOM 247 CA VAL A 16 -0.727 4.278 -0.929 1.00 10.00 C ATOM 248 C VAL A 16 -0.650 5.478 -1.895 1.00 10.00 C ATOM 249 O VAL A 16 -1.117 6.575 -1.581 1.00 50.00 O ATOM 250 CB VAL A 16 -2.195 4.088 -0.386 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.220 3.914 -1.545 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.263 2.886 0.590 1.00 50.00 C ATOM 0 H VAL A 16 0.004 5.252 0.789 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.473 3.357 -1.453 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.465 4.994 0.156 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.220 3.786 -1.130 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.202 4.798 -2.182 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.957 3.036 -2.135 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.284 2.770 0.954 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.958 1.978 0.070 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.595 3.063 1.433 1.00 50.00 H new ATOM 262 N ARG A 17 -0.015 5.244 -3.054 1.00 10.00 N ATOM 263 CA ARG A 17 0.196 6.251 -4.106 1.00 10.00 C ATOM 264 C ARG A 17 -1.094 6.439 -4.941 1.00 10.00 C ATOM 265 O ARG A 17 -1.369 5.659 -5.853 1.00 50.00 O ATOM 266 CB ARG A 17 1.392 5.795 -4.990 1.00 50.00 C ATOM 267 CG ARG A 17 1.784 6.768 -6.116 1.00 50.00 C ATOM 268 CD ARG A 17 2.987 6.272 -6.940 1.00 50.00 C ATOM 269 NE ARG A 17 3.479 7.315 -7.858 1.00 50.00 N ATOM 270 CZ ARG A 17 4.280 7.113 -8.917 1.00 50.00 C ATOM 271 NH1 ARG A 17 4.707 5.893 -9.232 1.00 75.00 N ATOM 272 NH2 ARG A 17 4.668 8.151 -9.649 1.00 75.00 N ATOM 0 H ARG A 17 0.374 4.331 -3.291 1.00 10.00 H new ATOM 0 HA ARG A 17 0.431 7.218 -3.662 1.00 10.00 H new ATOM 0 HB2 ARG A 17 2.259 5.640 -4.348 1.00 50.00 H new ATOM 0 HB3 ARG A 17 1.147 4.830 -5.434 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.931 6.913 -6.778 1.00 50.00 H new ATOM 0 HG3 ARG A 17 2.021 7.740 -5.684 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.790 5.969 -6.268 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.699 5.389 -7.511 1.00 50.00 H new ATOM 0 HE ARG A 17 3.185 8.274 -7.673 1.00 50.00 H new ATOM 0 HH11 ARG A 17 4.426 5.092 -8.666 1.00 75.00 H new ATOM 0 HH12 ARG A 17 5.315 5.758 -10.040 1.00 75.00 H new ATOM 0 HH21 ARG A 17 4.358 9.092 -9.405 1.00 75.00 H new ATOM 0 HH22 ARG A 17 5.276 8.008 -10.455 1.00 75.00 H new ATOM 286 N ARG A 18 -1.896 7.457 -4.603 1.00 10.00 N ATOM 287 CA ARG A 18 -3.222 7.670 -5.220 1.00 10.00 C ATOM 288 C ARG A 18 -3.169 8.727 -6.345 1.00 10.00 C ATOM 289 O ARG A 18 -2.828 9.892 -6.111 1.00 50.00 O ATOM 290 CB ARG A 18 -4.232 8.088 -4.140 1.00 50.00 C ATOM 291 CG ARG A 18 -5.690 8.206 -4.631 1.00 50.00 C ATOM 292 CD ARG A 18 -6.653 8.518 -3.482 1.00 50.00 C ATOM 293 NE ARG A 18 -6.544 7.534 -2.385 1.00 75.00 N ATOM 294 CZ ARG A 18 -7.484 6.642 -2.032 1.00 75.00 C ATOM 295 NH1 ARG A 18 -8.652 6.580 -2.673 1.00 75.00 N ATOM 296 NH2 ARG A 18 -7.228 5.787 -1.056 1.00 75.00 N ATOM 0 H ARG A 18 -1.651 8.154 -3.900 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.539 6.731 -5.673 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.194 7.363 -3.327 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -3.924 9.048 -3.726 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -5.757 8.990 -5.385 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -5.988 7.275 -5.112 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.445 9.516 -3.096 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -7.676 8.529 -3.859 1.00 50.00 H new ATOM 0 HE ARG A 18 -5.677 7.532 -1.848 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.844 7.217 -3.446 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.353 5.896 -2.390 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -6.326 5.810 -0.581 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -7.933 5.104 -0.778 1.00 75.00 H new ATOM 310 N HIS A 19 -3.520 8.300 -7.564 1.00 50.00 N ATOM 311 CA HIS A 19 -3.614 9.172 -8.751 1.00 50.00 C ATOM 312 C HIS A 19 -5.103 9.380 -9.085 1.00 50.00 C ATOM 313 O HIS A 19 -5.715 8.539 -9.754 1.00 75.00 O ATOM 314 CB HIS A 19 -2.831 8.517 -9.925 1.00 75.00 C ATOM 315 CG HIS A 19 -2.823 9.305 -11.212 1.00 75.00 C ATOM 316 ND1 HIS A 19 -1.981 10.370 -11.438 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.537 9.151 -12.356 1.00 75.00 C ATOM 318 CE1 HIS A 19 -2.181 10.829 -12.655 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.113 10.110 -13.225 1.00 75.00 N ATOM 0 H HIS A 19 -3.751 7.326 -7.761 1.00 50.00 H new ATOM 0 HA HIS A 19 -3.168 10.149 -8.565 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -1.800 8.358 -9.609 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -3.259 7.534 -10.122 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -1.309 10.744 -10.768 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -4.298 8.408 -12.542 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -1.662 11.661 -13.108 1.00 75.00 H new ATOM 328 N GLN A 20 -5.678 10.485 -8.562 1.00 75.00 N ATOM 329 CA GLN A 20 -7.132 10.772 -8.637 1.00 75.00 C ATOM 330 C GLN A 20 -7.637 10.819 -10.100 1.00 75.00 C ATOM 331 O GLN A 20 -8.366 9.924 -10.549 1.00 75.00 O ATOM 332 CB GLN A 20 -7.451 12.110 -7.910 1.00 75.00 C ATOM 333 CG GLN A 20 -7.104 12.142 -6.402 1.00 75.00 C ATOM 334 CD GLN A 20 -8.060 11.337 -5.501 1.00 75.00 C ATOM 335 OE1 GLN A 20 -8.662 10.342 -5.909 1.00 75.00 O ATOM 336 NE2 GLN A 20 -8.197 11.759 -4.254 1.00 75.00 N ATOM 0 H GLN A 20 -5.147 11.207 -8.074 1.00 75.00 H new ATOM 0 HA GLN A 20 -7.656 9.957 -8.138 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -6.908 12.913 -8.408 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -8.514 12.323 -8.026 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -6.092 11.759 -6.268 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -7.099 13.179 -6.067 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -7.690 12.585 -3.936 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -8.810 11.258 -3.611 1.00 75.00 H new ATOM 345 N THR A 21 -7.226 11.867 -10.830 1.00 75.00 N ATOM 346 CA THR A 21 -7.564 12.051 -12.250 1.00 75.00 C ATOM 347 C THR A 21 -6.273 12.033 -13.079 1.00 75.00 C ATOM 348 O THR A 21 -5.168 12.015 -12.519 1.00 75.00 O ATOM 349 CB THR A 21 -8.327 13.396 -12.483 1.00 75.00 C ATOM 350 OG1 THR A 21 -7.463 14.496 -12.190 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.600 13.500 -11.618 1.00 75.00 C ATOM 0 H THR A 21 -6.646 12.615 -10.450 1.00 75.00 H new ATOM 0 HA THR A 21 -8.220 11.238 -12.560 1.00 75.00 H new ATOM 0 HB THR A 21 -8.633 13.422 -13.529 1.00 75.00 H new ATOM 0 HG1 THR A 21 -7.615 15.214 -12.840 1.00 75.00 H new ATOM 0 HG21 THR A 21 -10.096 14.450 -11.814 1.00 75.00 H new ATOM 0 HG22 THR A 21 -10.275 12.681 -11.864 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.329 13.443 -10.564 1.00 75.00 H new ATOM 359 N LYS A 22 -6.422 12.064 -14.411 1.00 75.00 N ATOM 360 CA LYS A 22 -5.295 12.022 -15.362 1.00 75.00 C ATOM 361 C LYS A 22 -4.484 13.337 -15.351 1.00 75.00 C ATOM 362 O LYS A 22 -3.320 13.348 -15.765 1.00 75.00 O ATOM 363 CB LYS A 22 -5.825 11.710 -16.784 1.00 75.00 C ATOM 364 CG LYS A 22 -6.663 10.412 -16.849 1.00 75.00 C ATOM 365 CD LYS A 22 -7.205 10.106 -18.256 1.00 75.00 C ATOM 366 CE LYS A 22 -8.246 8.973 -18.237 1.00 75.00 C ATOM 367 NZ LYS A 22 -9.387 9.290 -17.329 1.00 75.00 N ATOM 0 H LYS A 22 -7.334 12.119 -14.865 1.00 75.00 H new ATOM 0 HA LYS A 22 -4.615 11.229 -15.051 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -6.434 12.546 -17.130 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -4.981 11.625 -17.469 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -6.050 9.575 -16.514 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -7.499 10.493 -16.155 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -7.656 11.006 -18.675 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -6.379 9.829 -18.911 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -8.620 8.805 -19.247 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -7.770 8.047 -17.915 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -10.206 8.702 -17.583 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -9.112 9.095 -16.345 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -9.639 10.294 -17.426 1.00 75.00 H new ATOM 381 N ASN A 23 -5.108 14.437 -14.884 1.00 75.00 N ATOM 382 CA ASN A 23 -4.444 15.754 -14.783 1.00 75.00 C ATOM 383 C ASN A 23 -3.812 15.948 -13.392 1.00 50.00 C ATOM 384 O ASN A 23 -2.796 16.634 -13.267 1.00 50.00 O ATOM 385 CB ASN A 23 -5.431 16.909 -15.104 1.00 50.00 C ATOM 386 CG ASN A 23 -6.576 17.036 -14.097 1.00 75.00 C ATOM 387 OD1 ASN A 23 -7.625 16.426 -14.260 1.00 75.00 O ATOM 388 ND2 ASN A 23 -6.383 17.830 -13.052 1.00 75.00 N ATOM 0 H ASN A 23 -6.078 14.439 -14.569 1.00 75.00 H new ATOM 0 HA ASN A 23 -3.647 15.779 -15.526 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -4.880 17.849 -15.134 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -5.849 16.752 -16.098 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -7.120 17.946 -12.356 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -5.498 18.325 -12.944 1.00 75.00 H new ATOM 395 N LEU A 24 -4.429 15.355 -12.346 1.00 10.00 N ATOM 396 CA LEU A 24 -3.906 15.431 -10.961 1.00 50.00 C ATOM 397 C LEU A 24 -2.692 14.499 -10.784 1.00 50.00 C ATOM 398 O LEU A 24 -2.464 13.602 -11.596 1.00 50.00 O ATOM 399 CB LEU A 24 -5.017 15.104 -9.922 1.00 50.00 C ATOM 400 CG LEU A 24 -6.184 16.139 -9.810 1.00 75.00 C ATOM 401 CD1 LEU A 24 -7.224 15.706 -8.758 1.00 75.00 C ATOM 402 CD2 LEU A 24 -5.654 17.554 -9.512 1.00 75.00 C ATOM 0 H LEU A 24 -5.291 14.817 -12.434 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.577 16.454 -10.782 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -5.444 14.132 -10.171 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -4.551 15.006 -8.942 1.00 50.00 H new ATOM 0 HG LEU A 24 -6.684 16.168 -10.778 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -8.020 16.448 -8.707 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -7.645 14.741 -9.039 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -6.743 15.622 -7.784 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -6.491 18.248 -9.441 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -5.107 17.547 -8.569 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -4.988 17.870 -10.315 1.00 75.00 H new ATOM 414 N GLU A 25 -1.926 14.737 -9.712 1.00 50.00 N ATOM 415 CA GLU A 25 -0.668 14.028 -9.429 1.00 10.00 C ATOM 416 C GLU A 25 -0.936 12.703 -8.661 1.00 10.00 C ATOM 417 O GLU A 25 -2.005 12.541 -8.056 1.00 50.00 O ATOM 418 CB GLU A 25 0.265 14.966 -8.609 1.00 50.00 C ATOM 419 CG GLU A 25 0.608 16.299 -9.321 1.00 50.00 C ATOM 420 CD GLU A 25 1.671 17.125 -8.578 1.00 75.00 C ATOM 421 OE1 GLU A 25 2.880 16.878 -8.781 1.00 75.00 O ATOM 422 OE2 GLU A 25 1.312 18.006 -7.774 1.00 75.00 O ATOM 0 H GLU A 25 -2.164 15.435 -9.007 1.00 50.00 H new ATOM 0 HA GLU A 25 -0.183 13.765 -10.369 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.211 15.189 -7.654 1.00 50.00 H new ATOM 0 HB3 GLU A 25 1.191 14.436 -8.388 1.00 50.00 H new ATOM 0 HG2 GLU A 25 0.963 16.084 -10.329 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -0.300 16.894 -9.422 1.00 50.00 H new ATOM 429 N PRO A 26 0.027 11.716 -8.688 1.00 10.00 N ATOM 430 CA PRO A 26 -0.066 10.480 -7.886 1.00 50.00 C ATOM 431 C PRO A 26 0.362 10.744 -6.426 1.00 10.00 C ATOM 432 O PRO A 26 1.474 10.391 -6.006 1.00 50.00 O ATOM 433 CB PRO A 26 0.871 9.475 -8.631 1.00 50.00 C ATOM 434 CG PRO A 26 1.464 10.240 -9.796 1.00 50.00 C ATOM 435 CD PRO A 26 1.272 11.711 -9.494 1.00 50.00 C ATOM 0 HA PRO A 26 -1.079 10.086 -7.806 1.00 50.00 H new ATOM 0 HB2 PRO A 26 1.654 9.107 -7.968 1.00 50.00 H new ATOM 0 HB3 PRO A 26 0.313 8.606 -8.979 1.00 50.00 H new ATOM 0 HG2 PRO A 26 2.521 10.004 -9.915 1.00 50.00 H new ATOM 0 HG3 PRO A 26 0.970 9.969 -10.729 1.00 50.00 H new ATOM 0 HD2 PRO A 26 2.115 12.125 -8.940 1.00 50.00 H new ATOM 0 HD3 PRO A 26 1.168 12.302 -10.404 1.00 50.00 H new ATOM 443 N ARG A 27 -0.545 11.387 -5.672 1.00 10.00 N ATOM 444 CA ARG A 27 -0.298 11.817 -4.289 1.00 10.00 C ATOM 445 C ARG A 27 -0.384 10.614 -3.342 1.00 10.00 C ATOM 446 O ARG A 27 -1.450 10.000 -3.220 1.00 50.00 O ATOM 447 CB ARG A 27 -1.322 12.910 -3.863 1.00 50.00 C ATOM 448 CG ARG A 27 -1.126 13.423 -2.416 1.00 50.00 C ATOM 449 CD ARG A 27 -2.125 14.519 -2.022 1.00 50.00 C ATOM 450 NE ARG A 27 -1.829 15.055 -0.681 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.213 16.219 -0.429 1.00 75.00 C ATOM 452 NH1 ARG A 27 -0.820 17.013 -1.428 1.00 75.00 N ATOM 453 NH2 ARG A 27 -0.997 16.583 0.828 1.00 75.00 N ATOM 0 H ARG A 27 -1.478 11.624 -6.010 1.00 10.00 H new ATOM 0 HA ARG A 27 0.704 12.243 -4.232 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -1.246 13.753 -4.550 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -2.330 12.508 -3.962 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -1.223 12.586 -1.725 1.00 50.00 H new ATOM 0 HG3 ARG A 27 -0.112 13.809 -2.309 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.091 15.326 -2.754 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -3.137 14.115 -2.039 1.00 50.00 H new ATOM 0 HE ARG A 27 -2.116 14.494 0.121 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -0.987 16.736 -2.395 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -0.352 17.896 -1.224 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -1.299 15.979 1.593 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -0.529 17.467 1.030 1.00 75.00 H new ATOM 467 N TRP A 28 0.735 10.279 -2.684 1.00 10.00 N ATOM 468 CA TRP A 28 0.765 9.183 -1.711 1.00 10.00 C ATOM 469 C TRP A 28 0.230 9.650 -0.351 1.00 10.00 C ATOM 470 O TRP A 28 0.288 10.835 -0.007 1.00 50.00 O ATOM 471 CB TRP A 28 2.188 8.571 -1.562 1.00 50.00 C ATOM 472 CG TRP A 28 3.254 9.495 -1.009 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.087 10.308 -1.720 1.00 50.00 C ATOM 474 CD2 TRP A 28 3.613 9.679 0.375 1.00 50.00 C ATOM 475 NE1 TRP A 28 4.948 10.958 -0.877 1.00 50.00 N ATOM 476 CE2 TRP A 28 4.674 10.594 0.409 1.00 50.00 C ATOM 477 CE3 TRP A 28 3.144 9.153 1.579 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.269 10.994 1.592 1.00 50.00 C ATOM 479 CZ3 TRP A 28 3.733 9.554 2.758 1.00 50.00 C ATOM 480 CH2 TRP A 28 4.790 10.468 2.757 1.00 50.00 C ATOM 0 H TRP A 28 1.630 10.752 -2.809 1.00 10.00 H new ATOM 0 HA TRP A 28 0.114 8.396 -2.091 1.00 10.00 H new ATOM 0 HB2 TRP A 28 2.120 7.698 -0.913 1.00 50.00 H new ATOM 0 HB3 TRP A 28 2.514 8.217 -2.540 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.070 10.423 -2.794 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.678 11.610 -1.164 1.00 50.00 H new ATOM 0 HE3 TRP A 28 2.331 8.442 1.587 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.086 11.700 1.594 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 3.373 9.157 3.696 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.236 10.764 3.695 1.00 50.00 H new ATOM 491 N LYS A 29 -0.302 8.692 0.399 1.00 10.00 N ATOM 492 CA LYS A 29 -0.685 8.859 1.807 1.00 10.00 C ATOM 493 C LYS A 29 -0.023 7.736 2.601 1.00 10.00 C ATOM 494 O LYS A 29 0.011 6.597 2.132 1.00 50.00 O ATOM 495 CB LYS A 29 -2.222 8.803 1.975 1.00 50.00 C ATOM 496 CG LYS A 29 -2.981 9.973 1.304 1.00 50.00 C ATOM 497 CD LYS A 29 -4.519 9.922 1.508 1.00 50.00 C ATOM 498 CE LYS A 29 -4.979 10.163 2.968 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.693 9.021 3.886 1.00 75.00 N ATOM 0 H LYS A 29 -0.486 7.754 0.043 1.00 10.00 H new ATOM 0 HA LYS A 29 -0.356 9.833 2.170 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -2.587 7.864 1.560 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -2.459 8.795 3.039 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -2.602 10.915 1.701 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.765 9.968 0.236 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -4.984 10.670 0.865 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.885 8.949 1.181 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.487 11.057 3.351 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -6.051 10.362 2.973 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -5.496 8.886 4.533 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.549 8.155 3.328 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.835 9.225 4.437 1.00 75.00 H new ATOM 513 N GLY A 30 0.522 8.050 3.781 1.00 10.00 N ATOM 514 CA GLY A 30 1.183 7.048 4.597 1.00 10.00 C ATOM 515 C GLY A 30 1.415 7.514 6.035 1.00 10.00 C ATOM 516 O GLY A 30 0.998 8.615 6.404 1.00 50.00 O ATOM 0 H GLY A 30 0.514 8.987 4.183 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.581 6.139 4.607 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.141 6.791 4.144 1.00 10.00 H new ATOM 520 N PRO A 31 2.070 6.673 6.891 1.00 10.00 N ATOM 521 CA PRO A 31 2.493 5.297 6.532 1.00 10.00 C ATOM 522 C PRO A 31 1.388 4.232 6.807 1.00 10.00 C ATOM 523 O PRO A 31 0.884 4.108 7.924 1.00 50.00 O ATOM 524 CB PRO A 31 3.728 5.100 7.436 1.00 50.00 C ATOM 525 CG PRO A 31 3.415 5.885 8.691 1.00 50.00 C ATOM 526 CD PRO A 31 2.486 7.028 8.277 1.00 50.00 C ATOM 0 HA PRO A 31 2.698 5.173 5.469 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.891 4.046 7.659 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.634 5.468 6.954 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.937 5.249 9.436 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.328 6.273 9.142 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.627 7.105 8.944 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.999 7.989 8.306 1.00 50.00 H new ATOM 534 N TYR A 32 0.994 3.504 5.757 1.00 10.00 N ATOM 535 CA TYR A 32 0.114 2.323 5.866 1.00 10.00 C ATOM 536 C TYR A 32 0.951 1.070 6.179 1.00 10.00 C ATOM 537 O TYR A 32 2.172 1.157 6.317 1.00 50.00 O ATOM 538 CB TYR A 32 -0.704 2.140 4.562 1.00 50.00 C ATOM 539 CG TYR A 32 -1.799 3.197 4.363 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.478 4.513 4.046 1.00 50.00 C ATOM 541 CD2 TYR A 32 -3.155 2.877 4.506 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.457 5.470 3.890 1.00 50.00 C ATOM 543 CE2 TYR A 32 -4.137 3.838 4.351 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.778 5.134 4.037 1.00 50.00 C ATOM 545 OH TYR A 32 -4.745 6.105 3.876 1.00 50.00 O ATOM 0 H TYR A 32 1.275 3.714 4.799 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.590 2.475 6.684 1.00 10.00 H new ATOM 0 HB2 TYR A 32 -0.024 2.170 3.711 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -1.163 1.152 4.568 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.442 4.790 3.920 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.439 1.862 4.741 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -2.183 6.487 3.651 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -5.178 3.577 4.475 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.631 5.709 4.011 1.00 50.00 H new ATOM 555 N THR A 33 0.283 -0.090 6.330 1.00 10.00 N ATOM 556 CA THR A 33 0.954 -1.367 6.650 1.00 10.00 C ATOM 557 C THR A 33 0.359 -2.525 5.825 1.00 10.00 C ATOM 558 O THR A 33 -0.807 -2.859 6.014 1.00 50.00 O ATOM 559 CB THR A 33 0.838 -1.697 8.190 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.530 -1.584 8.614 1.00 50.00 O ATOM 561 CG2 THR A 33 1.712 -0.775 9.070 1.00 50.00 C ATOM 0 H THR A 33 -0.729 -0.170 6.235 1.00 10.00 H new ATOM 0 HA THR A 33 2.007 -1.256 6.393 1.00 10.00 H new ATOM 0 HB THR A 33 1.199 -2.717 8.318 1.00 50.00 H new ATOM 0 HG1 THR A 33 -0.595 -1.792 9.570 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.590 -1.050 10.118 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.758 -0.885 8.785 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.405 0.261 8.929 1.00 50.00 H new ATOM 569 N VAL A 34 1.155 -3.117 4.896 1.00 10.00 N ATOM 570 CA VAL A 34 0.774 -4.362 4.196 1.00 10.00 C ATOM 571 C VAL A 34 0.689 -5.523 5.210 1.00 10.00 C ATOM 572 O VAL A 34 1.538 -5.655 6.116 1.00 50.00 O ATOM 573 CB VAL A 34 1.769 -4.737 3.022 1.00 50.00 C ATOM 574 CG1 VAL A 34 1.442 -6.119 2.389 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.779 -3.646 1.930 1.00 50.00 C ATOM 0 H VAL A 34 2.064 -2.748 4.618 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.201 -4.190 3.739 1.00 10.00 H new ATOM 0 HB VAL A 34 2.762 -4.802 3.467 1.00 50.00 H new ATOM 0 HG11 VAL A 34 2.152 -6.330 1.589 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.513 -6.895 3.152 1.00 50.00 H new ATOM 0 HG13 VAL A 34 0.431 -6.103 1.982 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.471 -3.931 1.137 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.777 -3.537 1.515 1.00 50.00 H new ATOM 0 HG23 VAL A 34 2.096 -2.698 2.365 1.00 50.00 H new ATOM 585 N LEU A 35 -0.377 -6.317 5.074 1.00 10.00 N ATOM 586 CA LEU A 35 -0.582 -7.542 5.843 1.00 10.00 C ATOM 587 C LEU A 35 -0.296 -8.754 4.949 1.00 10.00 C ATOM 588 O LEU A 35 0.415 -9.686 5.342 1.00 50.00 O ATOM 589 CB LEU A 35 -2.028 -7.594 6.402 1.00 50.00 C ATOM 590 CG LEU A 35 -2.471 -6.371 7.270 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.896 -6.568 7.817 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.463 -6.081 8.406 1.00 50.00 C ATOM 0 H LEU A 35 -1.131 -6.121 4.416 1.00 10.00 H new ATOM 0 HA LEU A 35 0.103 -7.558 6.691 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.718 -7.688 5.563 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.132 -8.498 7.003 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.482 -5.495 6.621 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.178 -5.703 8.417 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.593 -6.676 6.986 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -3.927 -7.465 8.436 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.806 -5.225 8.987 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.386 -6.953 9.056 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.485 -5.861 7.977 1.00 50.00 H new ATOM 604 N LEU A 36 -0.823 -8.706 3.718 1.00 10.00 N ATOM 605 CA LEU A 36 -0.761 -9.838 2.776 1.00 10.00 C ATOM 606 C LEU A 36 -0.536 -9.314 1.347 1.00 10.00 C ATOM 607 O LEU A 36 -0.976 -8.217 1.005 1.00 50.00 O ATOM 608 CB LEU A 36 -2.077 -10.660 2.886 1.00 50.00 C ATOM 609 CG LEU A 36 -2.174 -11.970 2.036 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.048 -12.967 2.387 1.00 50.00 C ATOM 611 CD2 LEU A 36 -3.564 -12.612 2.201 1.00 50.00 C ATOM 0 H LEU A 36 -1.303 -7.886 3.346 1.00 10.00 H new ATOM 0 HA LEU A 36 0.075 -10.492 3.023 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.223 -10.925 3.933 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -2.906 -10.011 2.602 1.00 50.00 H new ATOM 0 HG LEU A 36 -2.041 -11.701 0.988 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.151 -13.863 1.775 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.080 -12.505 2.194 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.117 -13.238 3.441 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -3.617 -13.522 1.604 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -3.730 -12.856 3.250 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.330 -11.913 1.865 1.00 50.00 H new ATOM 623 N THR A 37 0.176 -10.097 0.531 1.00 10.00 N ATOM 624 CA THR A 37 0.415 -9.796 -0.888 1.00 10.00 C ATOM 625 C THR A 37 -0.478 -10.706 -1.756 1.00 10.00 C ATOM 626 O THR A 37 -0.743 -11.844 -1.376 1.00 50.00 O ATOM 627 CB THR A 37 1.926 -10.020 -1.244 1.00 50.00 C ATOM 628 OG1 THR A 37 2.349 -11.326 -0.806 1.00 50.00 O ATOM 629 CG2 THR A 37 2.817 -8.958 -0.588 1.00 50.00 C ATOM 0 H THR A 37 0.609 -10.968 0.838 1.00 10.00 H new ATOM 0 HA THR A 37 0.168 -8.752 -1.083 1.00 10.00 H new ATOM 0 HB THR A 37 2.026 -9.940 -2.326 1.00 50.00 H new ATOM 0 HG1 THR A 37 3.325 -11.342 -0.721 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.858 -9.141 -0.854 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.522 -7.969 -0.938 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.705 -9.008 0.495 1.00 50.00 H new ATOM 637 N THR A 38 -0.974 -10.174 -2.884 1.00 10.00 N ATOM 638 CA THR A 38 -1.789 -10.924 -3.865 1.00 10.00 C ATOM 639 C THR A 38 -1.352 -10.480 -5.291 1.00 10.00 C ATOM 640 O THR A 38 -0.851 -9.363 -5.432 1.00 50.00 O ATOM 641 CB THR A 38 -3.310 -10.611 -3.594 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.640 -10.964 -2.236 1.00 50.00 O ATOM 643 CG2 THR A 38 -4.297 -11.316 -4.545 1.00 50.00 C ATOM 0 H THR A 38 -0.821 -9.201 -3.148 1.00 10.00 H new ATOM 0 HA THR A 38 -1.644 -12.001 -3.777 1.00 10.00 H new ATOM 0 HB THR A 38 -3.423 -9.542 -3.776 1.00 50.00 H new ATOM 0 HG1 THR A 38 -3.329 -11.874 -2.050 1.00 50.00 H new ATOM 0 HG21 THR A 38 -5.318 -11.039 -4.280 1.00 50.00 H new ATOM 0 HG22 THR A 38 -4.093 -11.012 -5.572 1.00 50.00 H new ATOM 0 HG23 THR A 38 -4.179 -12.396 -4.456 1.00 50.00 H new ATOM 651 N PRO A 39 -1.419 -11.362 -6.349 1.00 10.00 N ATOM 652 CA PRO A 39 -1.217 -10.947 -7.769 1.00 10.00 C ATOM 653 C PRO A 39 -1.858 -9.576 -8.125 1.00 10.00 C ATOM 654 O PRO A 39 -3.053 -9.382 -7.907 1.00 50.00 O ATOM 655 CB PRO A 39 -1.890 -12.106 -8.536 1.00 50.00 C ATOM 656 CG PRO A 39 -1.588 -13.322 -7.697 1.00 50.00 C ATOM 657 CD PRO A 39 -1.607 -12.848 -6.246 1.00 50.00 C ATOM 0 HA PRO A 39 -0.166 -10.790 -8.010 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -2.964 -11.947 -8.637 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -1.486 -12.206 -9.543 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.330 -14.104 -7.862 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -0.617 -13.744 -7.957 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -2.548 -13.099 -5.756 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.811 -13.312 -5.664 1.00 50.00 H new ATOM 665 N THR A 40 -1.010 -8.623 -8.597 1.00 10.00 N ATOM 666 CA THR A 40 -1.372 -7.225 -9.018 1.00 10.00 C ATOM 667 C THR A 40 -2.168 -6.403 -7.951 1.00 10.00 C ATOM 668 O THR A 40 -2.666 -5.308 -8.257 1.00 50.00 O ATOM 669 CB THR A 40 -2.085 -7.185 -10.439 1.00 50.00 C ATOM 670 OG1 THR A 40 -2.115 -5.838 -10.946 1.00 50.00 O ATOM 671 CG2 THR A 40 -3.529 -7.748 -10.440 1.00 50.00 C ATOM 0 H THR A 40 -0.012 -8.807 -8.702 1.00 10.00 H new ATOM 0 HA THR A 40 -0.412 -6.717 -9.110 1.00 10.00 H new ATOM 0 HB THR A 40 -1.488 -7.834 -11.080 1.00 50.00 H new ATOM 0 HG1 THR A 40 -2.419 -5.230 -10.240 1.00 50.00 H new ATOM 0 HG21 THR A 40 -3.944 -7.684 -11.446 1.00 50.00 H new ATOM 0 HG22 THR A 40 -3.514 -8.790 -10.119 1.00 50.00 H new ATOM 0 HG23 THR A 40 -4.147 -7.166 -9.756 1.00 50.00 H new ATOM 679 N ALA A 41 -2.197 -6.874 -6.687 1.00 10.00 N ATOM 680 CA ALA A 41 -2.996 -6.246 -5.619 1.00 10.00 C ATOM 681 C ALA A 41 -2.375 -6.537 -4.240 1.00 10.00 C ATOM 682 O ALA A 41 -2.147 -7.685 -3.886 1.00 50.00 O ATOM 683 CB ALA A 41 -4.454 -6.754 -5.688 1.00 50.00 C ATOM 0 H ALA A 41 -1.672 -7.693 -6.382 1.00 10.00 H new ATOM 0 HA ALA A 41 -2.998 -5.166 -5.764 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.040 -6.287 -4.897 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.883 -6.498 -6.657 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.469 -7.836 -5.560 1.00 50.00 H new ATOM 689 N LEU A 42 -2.078 -5.496 -3.468 1.00 10.00 N ATOM 690 CA LEU A 42 -1.509 -5.634 -2.114 1.00 10.00 C ATOM 691 C LEU A 42 -2.610 -5.389 -1.075 1.00 10.00 C ATOM 692 O LEU A 42 -3.309 -4.363 -1.124 1.00 50.00 O ATOM 693 CB LEU A 42 -0.312 -4.665 -1.928 1.00 50.00 C ATOM 694 CG LEU A 42 0.865 -4.872 -2.936 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.996 -3.862 -2.701 1.00 50.00 C ATOM 696 CD2 LEU A 42 1.395 -6.321 -2.904 1.00 50.00 C ATOM 0 H LEU A 42 -2.222 -4.528 -3.756 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.127 -6.645 -1.975 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -0.674 -3.641 -2.020 1.00 50.00 H new ATOM 0 HB3 LEU A 42 0.073 -4.777 -0.914 1.00 50.00 H new ATOM 0 HG LEU A 42 0.466 -4.691 -3.934 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.796 -4.037 -3.421 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.611 -2.850 -2.825 1.00 50.00 H new ATOM 0 HD13 LEU A 42 2.385 -3.980 -1.690 1.00 50.00 H new ATOM 0 HD21 LEU A 42 2.212 -6.425 -3.618 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.756 -6.554 -1.902 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.592 -7.008 -3.169 1.00 50.00 H new ATOM 708 N LYS A 43 -2.778 -6.362 -0.159 1.00 10.00 N ATOM 709 CA LYS A 43 -3.777 -6.296 0.903 1.00 10.00 C ATOM 710 C LYS A 43 -3.174 -5.554 2.099 1.00 10.00 C ATOM 711 O LYS A 43 -2.280 -6.073 2.794 1.00 50.00 O ATOM 712 CB LYS A 43 -4.252 -7.722 1.290 1.00 50.00 C ATOM 713 CG LYS A 43 -5.452 -7.728 2.256 1.00 50.00 C ATOM 714 CD LYS A 43 -6.121 -9.102 2.399 1.00 50.00 C ATOM 715 CE LYS A 43 -7.538 -8.985 3.000 1.00 50.00 C ATOM 716 NZ LYS A 43 -7.554 -8.286 4.321 1.00 75.00 N ATOM 0 H LYS A 43 -2.219 -7.215 -0.142 1.00 10.00 H new ATOM 0 HA LYS A 43 -4.656 -5.751 0.559 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.522 -8.265 0.384 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.423 -8.261 1.749 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.119 -7.392 3.238 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.192 -7.008 1.907 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -6.178 -9.583 1.422 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -5.508 -9.742 3.034 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -8.180 -8.447 2.302 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -7.961 -9.983 3.118 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -8.224 -8.763 4.958 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -6.602 -8.311 4.739 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -7.847 -7.297 4.187 1.00 75.00 H new ATOM 730 N VAL A 44 -3.676 -4.330 2.313 1.00 10.00 N ATOM 731 CA VAL A 44 -3.118 -3.364 3.264 1.00 10.00 C ATOM 732 C VAL A 44 -4.150 -3.084 4.371 1.00 10.00 C ATOM 733 O VAL A 44 -5.353 -3.031 4.101 1.00 50.00 O ATOM 734 CB VAL A 44 -2.737 -2.022 2.520 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.129 -0.988 3.488 1.00 50.00 C ATOM 736 CG2 VAL A 44 -1.777 -2.278 1.324 1.00 50.00 C ATOM 0 H VAL A 44 -4.497 -3.979 1.820 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.214 -3.779 3.710 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.665 -1.610 2.124 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -1.880 -0.079 2.940 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -2.851 -0.754 4.270 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.226 -1.399 3.939 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.539 -1.331 0.839 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -0.859 -2.741 1.687 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.259 -2.942 0.606 1.00 50.00 H new ATOM 746 N ASP A 45 -3.673 -2.937 5.613 1.00 10.00 N ATOM 747 CA ASP A 45 -4.512 -2.579 6.764 1.00 10.00 C ATOM 748 C ASP A 45 -5.076 -1.151 6.607 1.00 10.00 C ATOM 749 O ASP A 45 -4.361 -0.231 6.185 1.00 50.00 O ATOM 750 CB ASP A 45 -3.691 -2.703 8.069 1.00 50.00 C ATOM 751 CG ASP A 45 -4.473 -2.330 9.340 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.560 -2.884 9.555 1.00 50.00 O ATOM 753 OD2 ASP A 45 -3.993 -1.508 10.136 1.00 50.00 O ATOM 0 H ASP A 45 -2.689 -3.064 5.849 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.356 -3.268 6.812 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.332 -3.728 8.164 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -2.812 -2.063 7.995 1.00 50.00 H new ATOM 758 N GLY A 46 -6.368 -0.996 6.950 1.00 10.00 N ATOM 759 CA GLY A 46 -7.101 0.257 6.748 1.00 10.00 C ATOM 760 C GLY A 46 -7.924 0.234 5.468 1.00 10.00 C ATOM 761 O GLY A 46 -8.936 0.935 5.364 1.00 50.00 O ATOM 0 H GLY A 46 -6.927 -1.736 7.373 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -7.759 0.434 7.599 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.396 1.088 6.711 1.00 10.00 H new ATOM 765 N ILE A 47 -7.471 -0.575 4.491 1.00 10.00 N ATOM 766 CA ILE A 47 -8.121 -0.723 3.177 1.00 10.00 C ATOM 767 C ILE A 47 -9.213 -1.808 3.253 1.00 10.00 C ATOM 768 O ILE A 47 -9.055 -2.783 4.007 1.00 50.00 O ATOM 769 CB ILE A 47 -7.045 -1.083 2.086 1.00 50.00 C ATOM 770 CG1 ILE A 47 -5.914 0.000 2.054 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.670 -1.290 0.682 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.373 1.428 1.786 1.00 50.00 C ATOM 0 H ILE A 47 -6.635 -1.150 4.594 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.592 0.219 2.896 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.602 -2.038 2.369 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.390 -0.020 3.010 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.191 -0.279 1.288 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -6.885 -1.536 -0.033 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.393 -2.105 0.722 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.172 -0.375 0.369 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.510 2.094 1.786 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -6.868 1.475 0.816 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.070 1.738 2.564 1.00 50.00 H new ATOM 784 N ALA A 48 -10.307 -1.617 2.467 1.00 10.00 N ATOM 785 CA ALA A 48 -11.475 -2.523 2.433 1.00 10.00 C ATOM 786 C ALA A 48 -11.043 -3.974 2.185 1.00 10.00 C ATOM 787 O ALA A 48 -11.456 -4.877 2.920 1.00 50.00 O ATOM 788 CB ALA A 48 -12.491 -2.051 1.373 1.00 50.00 C ATOM 0 H ALA A 48 -10.398 -0.821 1.836 1.00 10.00 H new ATOM 0 HA ALA A 48 -11.962 -2.491 3.408 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.345 -2.728 1.360 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.830 -1.044 1.617 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.017 -2.046 0.391 1.00 50.00 H new ATOM 794 N ALA A 49 -10.199 -4.189 1.155 1.00 10.00 N ATOM 795 CA ALA A 49 -9.502 -5.472 0.977 1.00 10.00 C ATOM 796 C ALA A 49 -8.153 -5.287 0.257 1.00 10.00 C ATOM 797 O ALA A 49 -7.107 -5.553 0.838 1.00 50.00 O ATOM 798 CB ALA A 49 -10.401 -6.468 0.225 1.00 50.00 C ATOM 0 H ALA A 49 -9.987 -3.493 0.440 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.286 -5.880 1.965 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -9.872 -7.413 0.100 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.315 -6.636 0.795 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -10.654 -6.062 -0.754 1.00 50.00 H new ATOM 804 N TRP A 50 -8.165 -4.741 -0.969 1.00 10.00 N ATOM 805 CA TRP A 50 -6.941 -4.633 -1.807 1.00 10.00 C ATOM 806 C TRP A 50 -6.818 -3.259 -2.467 1.00 10.00 C ATOM 807 O TRP A 50 -7.822 -2.637 -2.837 1.00 50.00 O ATOM 808 CB TRP A 50 -6.904 -5.727 -2.922 1.00 50.00 C ATOM 809 CG TRP A 50 -6.660 -7.134 -2.426 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.450 -7.667 -2.080 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.614 -8.198 -2.272 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.605 -8.966 -1.680 1.00 50.00 N ATOM 813 CE2 TRP A 50 -6.916 -9.320 -1.797 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.991 -8.304 -2.476 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.539 -10.531 -1.524 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.613 -9.509 -2.207 1.00 50.00 C ATOM 817 CH2 TRP A 50 -8.886 -10.609 -1.735 1.00 50.00 C ATOM 0 H TRP A 50 -9.004 -4.365 -1.410 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.101 -4.780 -1.128 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.851 -5.707 -3.462 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.123 -5.469 -3.638 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.508 -7.139 -2.117 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -4.857 -9.574 -1.347 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.560 -7.460 -2.837 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -6.979 -11.379 -1.159 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.677 -9.604 -2.363 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.401 -11.537 -1.534 1.00 50.00 H new ATOM 828 N ILE A 51 -5.565 -2.805 -2.588 1.00 10.00 N ATOM 829 CA ILE A 51 -5.167 -1.698 -3.470 1.00 10.00 C ATOM 830 C ILE A 51 -4.327 -2.302 -4.603 1.00 10.00 C ATOM 831 O ILE A 51 -3.502 -3.180 -4.346 1.00 50.00 O ATOM 832 CB ILE A 51 -4.327 -0.600 -2.704 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.193 0.122 -1.628 1.00 50.00 C ATOM 834 CG2 ILE A 51 -3.692 0.431 -3.673 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.380 0.904 -2.170 1.00 50.00 C ATOM 0 H ILE A 51 -4.784 -3.203 -2.067 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.058 -1.200 -3.852 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.513 -1.121 -2.200 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -5.561 -0.622 -0.921 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -4.554 0.805 -1.068 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.125 1.166 -3.102 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -3.026 -0.083 -4.366 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.479 0.936 -4.233 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -6.918 1.369 -1.343 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.026 1.677 -2.852 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -7.048 0.228 -2.703 1.00 50.00 H new ATOM 847 N HIS A 52 -4.558 -1.849 -5.849 1.00 10.00 N ATOM 848 CA HIS A 52 -3.744 -2.254 -7.011 1.00 10.00 C ATOM 849 C HIS A 52 -2.263 -1.908 -6.733 1.00 10.00 C ATOM 850 O HIS A 52 -1.974 -0.784 -6.343 1.00 50.00 O ATOM 851 CB HIS A 52 -4.281 -1.542 -8.278 1.00 50.00 C ATOM 852 CG HIS A 52 -3.658 -1.982 -9.579 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.474 -1.476 -10.062 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.089 -2.863 -10.512 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.203 -2.042 -11.220 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.168 -2.881 -11.514 1.00 50.00 N ATOM 0 H HIS A 52 -5.308 -1.197 -6.078 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.811 -3.329 -7.179 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.357 -1.704 -8.337 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.126 -0.469 -8.165 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.998 -3.445 -10.469 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.331 -1.848 -11.827 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.220 -3.454 -12.357 1.00 50.00 H new ATOM 865 N ALA A 53 -1.357 -2.894 -6.923 1.00 10.00 N ATOM 866 CA ALA A 53 0.030 -2.871 -6.384 1.00 10.00 C ATOM 867 C ALA A 53 0.854 -1.639 -6.819 1.00 10.00 C ATOM 868 O ALA A 53 1.678 -1.150 -6.041 1.00 50.00 O ATOM 869 CB ALA A 53 0.753 -4.178 -6.741 1.00 50.00 C ATOM 0 H ALA A 53 -1.566 -3.737 -7.459 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.059 -2.786 -5.301 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.767 -4.153 -6.343 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.214 -5.021 -6.309 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.791 -4.288 -7.825 1.00 50.00 H new ATOM 875 N ALA A 54 0.597 -1.125 -8.040 1.00 10.00 N ATOM 876 CA ALA A 54 1.288 0.073 -8.583 1.00 10.00 C ATOM 877 C ALA A 54 0.891 1.377 -7.834 1.00 10.00 C ATOM 878 O ALA A 54 1.505 2.427 -8.026 1.00 50.00 O ATOM 879 CB ALA A 54 1.001 0.192 -10.092 1.00 50.00 C ATOM 0 H ALA A 54 -0.092 -1.524 -8.678 1.00 10.00 H new ATOM 0 HA ALA A 54 2.359 -0.056 -8.427 1.00 10.00 H new ATOM 0 HB1 ALA A 54 1.508 1.071 -10.491 1.00 50.00 H new ATOM 0 HB2 ALA A 54 1.365 -0.700 -10.603 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -0.073 0.289 -10.252 1.00 50.00 H new ATOM 885 N HIS A 55 -0.155 1.287 -7.001 1.00 10.00 N ATOM 886 CA HIS A 55 -0.612 2.376 -6.115 1.00 10.00 C ATOM 887 C HIS A 55 -0.160 2.133 -4.660 1.00 10.00 C ATOM 888 O HIS A 55 -0.758 2.670 -3.731 1.00 50.00 O ATOM 889 CB HIS A 55 -2.165 2.514 -6.169 1.00 50.00 C ATOM 890 CG HIS A 55 -2.725 2.994 -7.482 1.00 50.00 C ATOM 891 ND1 HIS A 55 -2.346 4.186 -8.063 1.00 50.00 N ATOM 892 CD2 HIS A 55 -3.658 2.464 -8.306 1.00 50.00 C ATOM 893 CE1 HIS A 55 -3.018 4.368 -9.174 1.00 50.00 C ATOM 894 NE2 HIS A 55 -3.819 3.341 -9.346 1.00 50.00 N ATOM 0 H HIS A 55 -0.720 0.442 -6.920 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.161 3.303 -6.469 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -2.607 1.545 -5.937 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -2.479 3.204 -5.385 1.00 50.00 H new ATOM 0 HD1 HIS A 55 -1.649 4.828 -7.686 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.177 1.527 -8.170 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -2.928 5.217 -9.835 1.00 50.00 H new ATOM 903 N VAL A 56 0.905 1.329 -4.461 1.00 10.00 N ATOM 904 CA VAL A 56 1.506 1.095 -3.124 1.00 10.00 C ATOM 905 C VAL A 56 3.043 1.171 -3.238 1.00 10.00 C ATOM 906 O VAL A 56 3.634 0.458 -4.051 1.00 50.00 O ATOM 907 CB VAL A 56 1.103 -0.301 -2.501 1.00 50.00 C ATOM 908 CG1 VAL A 56 1.729 -0.497 -1.095 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.431 -0.492 -2.433 1.00 50.00 C ATOM 0 H VAL A 56 1.373 0.825 -5.215 1.00 10.00 H new ATOM 0 HA VAL A 56 1.121 1.869 -2.460 1.00 10.00 H new ATOM 0 HB VAL A 56 1.504 -1.063 -3.170 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.431 -1.467 -0.696 1.00 50.00 H new ATOM 0 HG12 VAL A 56 2.815 -0.454 -1.171 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.381 0.292 -0.428 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.658 -1.465 -1.998 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -0.868 0.292 -1.815 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -0.849 -0.438 -3.438 1.00 50.00 H new ATOM 919 N LYS A 57 3.673 2.035 -2.417 1.00 10.00 N ATOM 920 CA LYS A 57 5.142 2.200 -2.374 1.00 10.00 C ATOM 921 C LYS A 57 5.677 1.740 -1.010 1.00 10.00 C ATOM 922 O LYS A 57 5.171 2.185 0.011 1.00 50.00 O ATOM 923 CB LYS A 57 5.531 3.684 -2.591 1.00 50.00 C ATOM 924 CG LYS A 57 5.078 4.286 -3.942 1.00 50.00 C ATOM 925 CD LYS A 57 5.677 5.690 -4.202 1.00 50.00 C ATOM 926 CE LYS A 57 7.217 5.669 -4.287 1.00 50.00 C ATOM 927 NZ LYS A 57 7.781 7.016 -4.556 1.00 75.00 N ATOM 0 H LYS A 57 3.177 2.640 -1.763 1.00 10.00 H new ATOM 0 HA LYS A 57 5.578 1.595 -3.169 1.00 10.00 H new ATOM 0 HB2 LYS A 57 5.103 4.278 -1.784 1.00 50.00 H new ATOM 0 HB3 LYS A 57 6.614 3.775 -2.514 1.00 50.00 H new ATOM 0 HG2 LYS A 57 5.370 3.615 -4.750 1.00 50.00 H new ATOM 0 HG3 LYS A 57 3.990 4.351 -3.960 1.00 50.00 H new ATOM 0 HD2 LYS A 57 5.270 6.088 -5.132 1.00 50.00 H new ATOM 0 HD3 LYS A 57 5.370 6.366 -3.404 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.626 5.286 -3.352 1.00 50.00 H new ATOM 0 HE3 LYS A 57 7.527 4.983 -5.075 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 8.818 6.955 -4.605 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.412 7.372 -5.461 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 7.508 7.666 -3.791 1.00 75.00 H new ATOM 941 N ALA A 58 6.706 0.880 -0.996 1.00 10.00 N ATOM 942 CA ALA A 58 7.338 0.416 0.256 1.00 10.00 C ATOM 943 C ALA A 58 8.094 1.578 0.933 1.00 10.00 C ATOM 944 O ALA A 58 8.989 2.174 0.331 1.00 50.00 O ATOM 945 CB ALA A 58 8.280 -0.767 -0.020 1.00 50.00 C ATOM 0 H ALA A 58 7.123 0.488 -1.840 1.00 10.00 H new ATOM 0 HA ALA A 58 6.558 0.072 0.936 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.736 -1.095 0.914 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.713 -1.590 -0.455 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.060 -0.456 -0.715 1.00 50.00 H new ATOM 951 N ALA A 59 7.712 1.908 2.174 1.00 10.00 N ATOM 952 CA ALA A 59 8.337 2.998 2.951 1.00 10.00 C ATOM 953 C ALA A 59 9.576 2.477 3.699 1.00 10.00 C ATOM 954 O ALA A 59 9.693 1.270 3.954 1.00 50.00 O ATOM 955 CB ALA A 59 7.325 3.604 3.935 1.00 50.00 C ATOM 0 H ALA A 59 6.961 1.429 2.672 1.00 10.00 H new ATOM 0 HA ALA A 59 8.654 3.780 2.262 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.802 4.405 4.499 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.475 4.005 3.382 1.00 50.00 H new ATOM 0 HB3 ALA A 59 6.979 2.832 4.622 1.00 50.00 H new ATOM 961 N ASP A 60 10.483 3.405 4.050 1.00 10.00 N ATOM 962 CA ASP A 60 11.734 3.096 4.766 1.00 10.00 C ATOM 963 C ASP A 60 11.442 2.877 6.270 1.00 50.00 C ATOM 964 O ASP A 60 10.951 3.796 6.936 1.00 50.00 O ATOM 965 CB ASP A 60 12.761 4.254 4.570 1.00 50.00 C ATOM 966 CG ASP A 60 14.195 3.966 5.075 1.00 50.00 C ATOM 967 OD1 ASP A 60 14.479 2.871 5.591 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.061 4.846 4.932 1.00 75.00 O ATOM 0 H ASP A 60 10.368 4.397 3.844 1.00 10.00 H new ATOM 0 HA ASP A 60 12.162 2.180 4.359 1.00 10.00 H new ATOM 0 HB2 ASP A 60 12.810 4.496 3.508 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.385 5.140 5.082 1.00 50.00 H new ATOM 973 N PRO A 61 11.711 1.646 6.822 1.00 50.00 N ATOM 974 CA PRO A 61 11.597 1.361 8.283 1.00 50.00 C ATOM 975 C PRO A 61 12.508 2.252 9.162 1.00 50.00 C ATOM 976 O PRO A 61 12.307 2.342 10.383 1.00 75.00 O ATOM 977 CB PRO A 61 12.011 -0.133 8.388 1.00 75.00 C ATOM 978 CG PRO A 61 11.748 -0.696 7.018 1.00 75.00 C ATOM 979 CD PRO A 61 12.102 0.418 6.066 1.00 50.00 C ATOM 0 HA PRO A 61 10.593 1.571 8.653 1.00 50.00 H new ATOM 0 HB2 PRO A 61 13.061 -0.235 8.664 1.00 75.00 H new ATOM 0 HB3 PRO A 61 11.429 -0.653 9.149 1.00 75.00 H new ATOM 0 HG2 PRO A 61 12.355 -1.582 6.832 1.00 75.00 H new ATOM 0 HG3 PRO A 61 10.705 -0.994 6.907 1.00 75.00 H new ATOM 0 HD2 PRO A 61 13.164 0.417 5.821 1.00 50.00 H new ATOM 0 HD3 PRO A 61 11.558 0.333 5.126 1.00 50.00 H new ATOM 987 N GLY A 62 13.520 2.877 8.529 1.00 50.00 N ATOM 988 CA GLY A 62 14.453 3.770 9.206 1.00 50.00 C ATOM 989 C GLY A 62 13.789 5.035 9.753 1.00 75.00 C ATOM 990 O GLY A 62 13.724 6.062 9.073 1.00 75.00 O ATOM 0 H GLY A 62 13.705 2.770 7.532 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.928 3.233 10.027 1.00 50.00 H new ATOM 0 HA3 GLY A 62 15.243 4.054 8.511 1.00 50.00 H new ATOM 994 N GLY A 63 13.273 4.922 10.987 1.00 75.00 N ATOM 995 CA GLY A 63 12.633 6.030 11.699 1.00 75.00 C ATOM 996 C GLY A 63 11.669 5.547 12.779 1.00 75.00 C ATOM 997 O GLY A 63 11.241 6.340 13.632 1.00 75.00 O ATOM 0 H GLY A 63 13.290 4.052 11.519 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.400 6.657 12.154 1.00 75.00 H new ATOM 0 HA3 GLY A 63 12.093 6.653 10.986 1.00 75.00 H new ATOM 1001 N GLY A 64 11.320 4.243 12.743 1.00 75.00 N ATOM 1002 CA GLY A 64 10.394 3.648 13.711 1.00 75.00 C ATOM 1003 C GLY A 64 10.484 2.120 13.732 1.00 75.00 C ATOM 1004 O GLY A 64 11.012 1.556 14.694 1.00 75.00 O ATOM 0 H GLY A 64 11.672 3.585 12.047 1.00 75.00 H new ATOM 0 HA2 GLY A 64 10.611 4.037 14.706 1.00 75.00 H new ATOM 0 HA3 GLY A 64 9.375 3.947 13.467 1.00 75.00 H new ATOM 1008 N PRO A 65 9.955 1.415 12.686 1.00 75.00 N ATOM 1009 CA PRO A 65 10.043 -0.068 12.577 1.00 75.00 C ATOM 1010 C PRO A 65 11.501 -0.569 12.545 1.00 75.00 C ATOM 1011 O PRO A 65 12.222 -0.286 11.594 1.00 75.00 O ATOM 1012 CB PRO A 65 9.304 -0.382 11.245 1.00 75.00 C ATOM 1013 CG PRO A 65 8.423 0.813 11.015 1.00 75.00 C ATOM 1014 CD PRO A 65 9.191 1.996 11.550 1.00 75.00 C ATOM 0 HA PRO A 65 9.602 -0.570 13.438 1.00 75.00 H new ATOM 0 HB2 PRO A 65 10.007 -0.521 10.424 1.00 75.00 H new ATOM 0 HB3 PRO A 65 8.719 -1.298 11.322 1.00 75.00 H new ATOM 0 HG2 PRO A 65 8.201 0.937 9.955 1.00 75.00 H new ATOM 0 HG3 PRO A 65 7.469 0.701 11.530 1.00 75.00 H new ATOM 0 HD2 PRO A 65 9.852 2.422 10.795 1.00 75.00 H new ATOM 0 HD3 PRO A 65 8.525 2.794 11.878 1.00 75.00 H new ATOM 1022 N SER A 66 11.920 -1.289 13.606 1.00 75.00 N ATOM 1023 CA SER A 66 13.273 -1.864 13.715 1.00 75.00 C ATOM 1024 C SER A 66 13.486 -2.921 12.609 1.00 75.00 C ATOM 1025 O SER A 66 14.485 -2.874 11.877 1.00 75.00 O ATOM 1026 CB SER A 66 13.475 -2.464 15.134 1.00 75.00 C ATOM 1027 OG SER A 66 14.790 -2.954 15.314 1.00 75.00 O ATOM 0 H SER A 66 11.327 -1.487 14.412 1.00 75.00 H new ATOM 0 HA SER A 66 14.020 -1.082 13.573 1.00 75.00 H new ATOM 0 HB2 SER A 66 13.265 -1.702 15.884 1.00 75.00 H new ATOM 0 HB3 SER A 66 12.761 -3.272 15.292 1.00 75.00 H new ATOM 0 HG SER A 66 14.881 -3.322 16.218 1.00 75.00 H new ATOM 1033 N SER A 67 12.516 -3.857 12.490 1.00 75.00 N ATOM 1034 CA SER A 67 12.432 -4.836 11.391 1.00 75.00 C ATOM 1035 C SER A 67 10.949 -5.209 11.160 1.00 75.00 C ATOM 1036 O SER A 67 10.341 -4.808 10.157 1.00 75.00 O ATOM 1037 CB SER A 67 13.281 -6.104 11.699 1.00 75.00 C ATOM 1038 OG SER A 67 14.638 -5.787 11.958 1.00 75.00 O ATOM 0 H SER A 67 11.760 -3.951 13.168 1.00 75.00 H new ATOM 0 HA SER A 67 12.839 -4.389 10.484 1.00 75.00 H new ATOM 0 HB2 SER A 67 12.859 -6.622 12.561 1.00 75.00 H new ATOM 0 HB3 SER A 67 13.224 -6.791 10.855 1.00 75.00 H new ATOM 0 HG SER A 67 15.136 -6.610 12.148 1.00 75.00 H new ATOM 1044 N ARG A 68 10.361 -5.938 12.130 1.00 75.00 N ATOM 1045 CA ARG A 68 8.980 -6.462 12.045 1.00 75.00 C ATOM 1046 C ARG A 68 8.126 -5.868 13.181 1.00 75.00 C ATOM 1047 O ARG A 68 8.562 -5.812 14.339 1.00 75.00 O ATOM 1048 CB ARG A 68 9.002 -8.019 12.108 1.00 75.00 C ATOM 1049 CG ARG A 68 9.584 -8.610 13.412 1.00 75.00 C ATOM 1050 CD ARG A 68 9.776 -10.137 13.355 1.00 75.00 C ATOM 1051 NE ARG A 68 10.897 -10.539 12.478 1.00 75.00 N ATOM 1052 CZ ARG A 68 11.243 -11.810 12.194 1.00 75.00 C ATOM 1053 NH1 ARG A 68 10.565 -12.829 12.695 1.00 75.00 N ATOM 1054 NH2 ARG A 68 12.307 -12.047 11.442 1.00 75.00 N ATOM 0 H ARG A 68 10.833 -6.182 13.001 1.00 75.00 H new ATOM 0 HA ARG A 68 8.533 -6.167 11.095 1.00 75.00 H new ATOM 0 HB2 ARG A 68 7.984 -8.387 11.982 1.00 75.00 H new ATOM 0 HB3 ARG A 68 9.583 -8.394 11.265 1.00 75.00 H new ATOM 0 HG2 ARG A 68 10.544 -8.137 13.620 1.00 75.00 H new ATOM 0 HG3 ARG A 68 8.921 -8.365 14.242 1.00 75.00 H new ATOM 0 HD2 ARG A 68 9.954 -10.514 14.362 1.00 75.00 H new ATOM 0 HD3 ARG A 68 8.857 -10.602 12.999 1.00 75.00 H new ATOM 0 HE ARG A 68 11.452 -9.795 12.055 1.00 75.00 H new ATOM 0 HH11 ARG A 68 9.767 -12.659 13.307 1.00 75.00 H new ATOM 0 HH12 ARG A 68 10.840 -13.785 12.470 1.00 75.00 H new ATOM 0 HH21 ARG A 68 12.860 -11.270 11.081 1.00 75.00 H new ATOM 0 HH22 ARG A 68 12.574 -13.007 11.224 1.00 75.00 H new ATOM 1068 N LEU A 69 6.925 -5.389 12.836 1.00 75.00 N ATOM 1069 CA LEU A 69 6.001 -4.777 13.802 1.00 75.00 C ATOM 1070 C LEU A 69 5.005 -5.829 14.306 1.00 75.00 C ATOM 1071 O LEU A 69 5.085 -6.283 15.457 1.00 75.00 O ATOM 1072 CB LEU A 69 5.271 -3.566 13.148 1.00 75.00 C ATOM 1073 CG LEU A 69 6.175 -2.367 12.727 1.00 75.00 C ATOM 1074 CD1 LEU A 69 5.343 -1.239 12.072 1.00 75.00 C ATOM 1075 CD2 LEU A 69 6.999 -1.845 13.928 1.00 75.00 C ATOM 0 H LEU A 69 6.566 -5.414 11.882 1.00 75.00 H new ATOM 0 HA LEU A 69 6.562 -4.405 14.659 1.00 75.00 H new ATOM 0 HB2 LEU A 69 4.739 -3.922 12.265 1.00 75.00 H new ATOM 0 HB3 LEU A 69 4.519 -3.200 13.847 1.00 75.00 H new ATOM 0 HG LEU A 69 6.880 -2.726 11.977 1.00 75.00 H new ATOM 0 HD11 LEU A 69 6.002 -0.418 11.790 1.00 75.00 H new ATOM 0 HD12 LEU A 69 4.843 -1.625 11.184 1.00 75.00 H new ATOM 0 HD13 LEU A 69 4.597 -0.879 12.781 1.00 75.00 H new ATOM 0 HD21 LEU A 69 7.621 -1.009 13.607 1.00 75.00 H new ATOM 0 HD22 LEU A 69 6.323 -1.513 14.716 1.00 75.00 H new ATOM 0 HD23 LEU A 69 7.635 -2.645 14.308 1.00 75.00 H new ATOM 1087 N THR A 70 4.087 -6.232 13.423 1.00 75.00 N ATOM 1088 CA THR A 70 3.034 -7.191 13.746 1.00 75.00 C ATOM 1089 C THR A 70 3.555 -8.629 13.540 1.00 75.00 C ATOM 1090 O THR A 70 4.404 -8.867 12.669 1.00 75.00 O ATOM 1091 CB THR A 70 1.782 -6.917 12.854 1.00 75.00 C ATOM 1092 OG1 THR A 70 1.513 -5.505 12.823 1.00 75.00 O ATOM 1093 CG2 THR A 70 0.531 -7.653 13.358 1.00 75.00 C ATOM 0 H THR A 70 4.056 -5.899 12.460 1.00 75.00 H new ATOM 0 HA THR A 70 2.744 -7.079 14.791 1.00 75.00 H new ATOM 0 HB THR A 70 2.009 -7.290 11.855 1.00 75.00 H new ATOM 0 HG1 THR A 70 0.728 -5.334 12.262 1.00 75.00 H new ATOM 0 HG21 THR A 70 -0.311 -7.429 12.703 1.00 75.00 H new ATOM 0 HG22 THR A 70 0.716 -8.727 13.357 1.00 75.00 H new ATOM 0 HG23 THR A 70 0.300 -7.325 14.372 1.00 75.00 H new ATOM 1101 N TRP A 71 3.052 -9.565 14.356 1.00 75.00 N ATOM 1102 CA TRP A 71 3.435 -10.984 14.297 1.00 75.00 C ATOM 1103 C TRP A 71 2.562 -11.702 13.256 1.00 75.00 C ATOM 1104 O TRP A 71 3.073 -12.197 12.240 1.00 75.00 O ATOM 1105 CB TRP A 71 3.276 -11.646 15.693 1.00 75.00 C ATOM 1106 CG TRP A 71 4.032 -10.944 16.796 1.00 75.00 C ATOM 1107 CD1 TRP A 71 5.257 -11.276 17.288 1.00 75.00 C ATOM 1108 CD2 TRP A 71 3.607 -9.783 17.538 1.00 75.00 C ATOM 1109 NE1 TRP A 71 5.618 -10.403 18.281 1.00 75.00 N ATOM 1110 CE2 TRP A 71 4.628 -9.477 18.451 1.00 75.00 C ATOM 1111 CE3 TRP A 71 2.464 -8.973 17.513 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 4.549 -8.402 19.329 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 2.383 -7.903 18.385 1.00 75.00 C ATOM 1114 CH2 TRP A 71 3.423 -7.625 19.281 1.00 75.00 C ATOM 0 H TRP A 71 2.364 -9.359 15.080 1.00 75.00 H new ATOM 0 HA TRP A 71 4.482 -11.064 14.003 1.00 75.00 H new ATOM 0 HB2 TRP A 71 2.218 -11.673 15.952 1.00 75.00 H new ATOM 0 HB3 TRP A 71 3.616 -12.680 15.634 1.00 75.00 H new ATOM 0 HD1 TRP A 71 5.857 -12.106 16.946 1.00 75.00 H new ATOM 0 HE1 TRP A 71 6.489 -10.439 18.810 1.00 75.00 H new ATOM 0 HE3 TRP A 71 1.659 -9.181 16.824 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 5.347 -8.188 20.024 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 1.506 -7.273 18.375 1.00 75.00 H new ATOM 0 HH2 TRP A 71 3.335 -6.780 19.948 1.00 75.00 H new ATOM 1125 N ARG A 72 1.235 -11.738 13.529 1.00 75.00 N ATOM 1126 CA ARG A 72 0.200 -12.362 12.662 1.00 75.00 C ATOM 1127 C ARG A 72 -1.143 -11.638 12.879 1.00 75.00 C ATOM 1128 O ARG A 72 -1.397 -11.123 13.976 1.00 75.00 O ATOM 1129 CB ARG A 72 0.060 -13.881 12.977 1.00 75.00 C ATOM 1130 CG ARG A 72 1.301 -14.732 12.594 1.00 75.00 C ATOM 1131 CD ARG A 72 1.244 -16.165 13.098 1.00 75.00 C ATOM 1132 NE ARG A 72 0.195 -16.962 12.448 1.00 75.00 N ATOM 1133 CZ ARG A 72 -0.062 -18.241 12.738 1.00 75.00 C ATOM 1134 NH1 ARG A 72 0.634 -18.873 13.661 1.00 75.00 N ATOM 1135 NH2 ARG A 72 -0.976 -18.900 12.073 1.00 75.00 N ATOM 0 H ARG A 72 0.844 -11.326 14.376 1.00 75.00 H new ATOM 0 HA ARG A 72 0.499 -12.265 11.618 1.00 75.00 H new ATOM 0 HB2 ARG A 72 -0.134 -14.002 14.043 1.00 75.00 H new ATOM 0 HB3 ARG A 72 -0.810 -14.271 12.448 1.00 75.00 H new ATOM 0 HG2 ARG A 72 1.401 -14.743 11.509 1.00 75.00 H new ATOM 0 HG3 ARG A 72 2.195 -14.252 12.992 1.00 75.00 H new ATOM 0 HD2 ARG A 72 2.210 -16.641 12.931 1.00 75.00 H new ATOM 0 HD3 ARG A 72 1.073 -16.159 14.175 1.00 75.00 H new ATOM 0 HE ARG A 72 -0.373 -16.511 11.731 1.00 75.00 H new ATOM 0 HH11 ARG A 72 1.377 -18.386 14.162 1.00 75.00 H new ATOM 0 HH12 ARG A 72 0.430 -19.849 13.875 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -1.497 -18.438 11.328 1.00 75.00 H new ATOM 0 HH22 ARG A 72 -1.167 -19.876 12.299 1.00 75.00 H new ATOM 1149 N VAL A 73 -2.002 -11.591 11.837 1.00 75.00 N ATOM 1150 CA VAL A 73 -3.291 -10.846 11.884 1.00 75.00 C ATOM 1151 C VAL A 73 -4.514 -11.753 11.655 1.00 75.00 C ATOM 1152 O VAL A 73 -5.658 -11.276 11.778 1.00 75.00 O ATOM 1153 CB VAL A 73 -3.331 -9.659 10.841 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.242 -8.605 11.136 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -3.221 -10.181 9.387 1.00 50.00 C ATOM 0 H VAL A 73 -1.830 -12.060 10.948 1.00 75.00 H new ATOM 0 HA VAL A 73 -3.346 -10.439 12.894 1.00 75.00 H new ATOM 0 HB VAL A 73 -4.299 -9.169 10.947 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -2.301 -7.805 10.398 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.396 -8.192 12.133 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -1.259 -9.073 11.086 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.252 -9.339 8.695 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -2.281 -10.718 9.263 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -4.053 -10.853 9.178 1.00 50.00 H new ATOM 1165 N GLN A 74 -4.301 -13.051 11.318 1.00 75.00 N ATOM 1166 CA GLN A 74 -5.429 -13.946 10.965 1.00 75.00 C ATOM 1167 C GLN A 74 -6.327 -14.257 12.176 1.00 75.00 C ATOM 1168 O GLN A 74 -7.524 -14.495 12.010 1.00 75.00 O ATOM 1169 CB GLN A 74 -4.975 -15.264 10.296 1.00 75.00 C ATOM 1170 CG GLN A 74 -4.406 -16.342 11.241 1.00 75.00 C ATOM 1171 CD GLN A 74 -4.183 -17.681 10.555 1.00 75.00 C ATOM 1172 OE1 GLN A 74 -3.259 -18.388 10.878 1.00 75.00 O ATOM 1173 NE2 GLN A 74 -5.053 -18.069 9.637 1.00 75.00 N ATOM 0 H GLN A 74 -3.382 -13.491 11.284 1.00 75.00 H new ATOM 0 HA GLN A 74 -6.012 -13.388 10.232 1.00 75.00 H new ATOM 0 HB2 GLN A 74 -5.825 -15.689 9.763 1.00 75.00 H new ATOM 0 HB3 GLN A 74 -4.217 -15.027 9.550 1.00 75.00 H new ATOM 0 HG2 GLN A 74 -3.461 -15.991 11.655 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -5.090 -16.479 12.079 1.00 75.00 H new ATOM 0 HE21 GLN A 74 -5.827 -17.458 9.377 1.00 75.00 H new ATOM 0 HE22 GLN A 74 -4.950 -18.979 9.189 1.00 75.00 H new ATOM 1182 N ARG A 75 -5.742 -14.209 13.386 1.00 75.00 N ATOM 1183 CA ARG A 75 -6.462 -14.485 14.640 1.00 75.00 C ATOM 1184 C ARG A 75 -7.539 -13.409 14.909 1.00 75.00 C ATOM 1185 O ARG A 75 -8.481 -13.639 15.672 1.00 75.00 O ATOM 1186 CB ARG A 75 -5.455 -14.549 15.816 1.00 75.00 C ATOM 1187 CG ARG A 75 -4.293 -15.556 15.628 1.00 75.00 C ATOM 1188 CD ARG A 75 -4.782 -17.006 15.433 1.00 75.00 C ATOM 1189 NE ARG A 75 -3.657 -17.949 15.297 1.00 75.00 N ATOM 1190 CZ ARG A 75 -3.709 -19.144 14.681 1.00 75.00 C ATOM 1191 NH1 ARG A 75 -4.841 -19.589 14.127 1.00 75.00 N ATOM 1192 NH2 ARG A 75 -2.617 -19.895 14.638 1.00 75.00 N ATOM 0 H ARG A 75 -4.758 -13.978 13.521 1.00 75.00 H new ATOM 0 HA ARG A 75 -6.967 -15.447 14.547 1.00 75.00 H new ATOM 0 HB2 ARG A 75 -5.034 -13.555 15.968 1.00 75.00 H new ATOM 0 HB3 ARG A 75 -5.997 -14.808 16.725 1.00 75.00 H new ATOM 0 HG2 ARG A 75 -3.698 -15.259 14.764 1.00 75.00 H new ATOM 0 HG3 ARG A 75 -3.637 -15.513 16.497 1.00 75.00 H new ATOM 0 HD2 ARG A 75 -5.401 -17.298 16.281 1.00 75.00 H new ATOM 0 HD3 ARG A 75 -5.412 -17.061 14.545 1.00 75.00 H new ATOM 0 HE ARG A 75 -2.764 -17.672 15.704 1.00 75.00 H new ATOM 0 HH11 ARG A 75 -5.686 -19.020 14.167 1.00 75.00 H new ATOM 0 HH12 ARG A 75 -4.860 -20.498 13.665 1.00 75.00 H new ATOM 0 HH21 ARG A 75 -1.753 -19.564 15.068 1.00 75.00 H new ATOM 0 HH22 ARG A 75 -2.641 -20.803 14.175 1.00 75.00 H new ATOM 1206 N SER A 76 -7.369 -12.233 14.265 1.00 75.00 N ATOM 1207 CA SER A 76 -8.264 -11.078 14.413 1.00 75.00 C ATOM 1208 C SER A 76 -9.435 -11.114 13.393 1.00 75.00 C ATOM 1209 O SER A 76 -10.530 -10.619 13.706 1.00 75.00 O ATOM 1210 CB SER A 76 -7.434 -9.773 14.253 1.00 75.00 C ATOM 1211 OG SER A 76 -8.214 -8.603 14.470 1.00 75.00 O ATOM 0 H SER A 76 -6.596 -12.064 13.622 1.00 75.00 H new ATOM 0 HA SER A 76 -8.713 -11.112 15.406 1.00 75.00 H new ATOM 0 HB2 SER A 76 -6.602 -9.787 14.956 1.00 75.00 H new ATOM 0 HB3 SER A 76 -7.005 -9.739 13.252 1.00 75.00 H new ATOM 0 HG SER A 76 -7.650 -7.809 14.360 1.00 75.00 H new ATOM 1217 N GLN A 77 -9.215 -11.706 12.185 1.00 75.00 N ATOM 1218 CA GLN A 77 -10.215 -11.672 11.080 1.00 75.00 C ATOM 1219 C GLN A 77 -9.960 -12.764 10.015 1.00 75.00 C ATOM 1220 O GLN A 77 -10.915 -13.296 9.434 1.00 75.00 O ATOM 1221 CB GLN A 77 -10.238 -10.255 10.421 1.00 75.00 C ATOM 1222 CG GLN A 77 -11.223 -10.083 9.235 1.00 75.00 C ATOM 1223 CD GLN A 77 -12.701 -10.347 9.589 1.00 75.00 C ATOM 1224 OE1 GLN A 77 -13.157 -10.104 10.708 1.00 75.00 O ATOM 1225 NE2 GLN A 77 -13.455 -10.859 8.637 1.00 75.00 N ATOM 0 H GLN A 77 -8.359 -12.210 11.953 1.00 75.00 H new ATOM 0 HA GLN A 77 -11.190 -11.883 11.518 1.00 75.00 H new ATOM 0 HB2 GLN A 77 -10.489 -9.522 11.187 1.00 75.00 H new ATOM 0 HB3 GLN A 77 -9.233 -10.020 10.072 1.00 75.00 H new ATOM 0 HG2 GLN A 77 -11.131 -9.069 8.847 1.00 75.00 H new ATOM 0 HG3 GLN A 77 -10.928 -10.759 8.433 1.00 75.00 H new ATOM 0 HE21 GLN A 77 -13.056 -11.052 7.718 1.00 75.00 H new ATOM 0 HE22 GLN A 77 -14.438 -11.062 8.819 1.00 75.00 H new ATOM 1234 N ASN A 78 -8.664 -13.056 9.763 1.00 75.00 N ATOM 1235 CA ASN A 78 -8.191 -14.007 8.727 1.00 75.00 C ATOM 1236 C ASN A 78 -8.297 -13.398 7.307 1.00 75.00 C ATOM 1237 O ASN A 78 -9.359 -13.467 6.675 1.00 75.00 O ATOM 1238 CB ASN A 78 -8.887 -15.406 8.809 1.00 75.00 C ATOM 1239 CG ASN A 78 -8.305 -16.433 7.818 1.00 75.00 C ATOM 1240 OD1 ASN A 78 -7.365 -17.155 8.136 1.00 75.00 O ATOM 1241 ND2 ASN A 78 -8.859 -16.506 6.618 1.00 75.00 N ATOM 0 H ASN A 78 -7.899 -12.628 10.285 1.00 75.00 H new ATOM 0 HA ASN A 78 -7.136 -14.185 8.938 1.00 75.00 H new ATOM 0 HB2 ASN A 78 -8.790 -15.794 9.823 1.00 75.00 H new ATOM 0 HB3 ASN A 78 -9.953 -15.286 8.614 1.00 75.00 H new ATOM 0 HD21 ASN A 78 -8.505 -17.174 5.933 1.00 75.00 H new ATOM 0 HD22 ASN A 78 -9.639 -15.894 6.379 1.00 75.00 H new ATOM 1248 N PRO A 79 -7.189 -12.764 6.797 1.00 75.00 N ATOM 1249 CA PRO A 79 -7.074 -12.348 5.379 1.00 75.00 C ATOM 1250 C PRO A 79 -6.658 -13.526 4.470 1.00 75.00 C ATOM 1251 O PRO A 79 -6.599 -13.391 3.252 1.00 75.00 O ATOM 1252 CB PRO A 79 -5.976 -11.261 5.443 1.00 75.00 C ATOM 1253 CG PRO A 79 -5.063 -11.719 6.543 1.00 75.00 C ATOM 1254 CD PRO A 79 -5.970 -12.377 7.575 1.00 75.00 C ATOM 0 HA PRO A 79 -8.013 -11.994 4.953 1.00 75.00 H new ATOM 0 HB2 PRO A 79 -5.445 -11.176 4.495 1.00 75.00 H new ATOM 0 HB3 PRO A 79 -6.399 -10.280 5.660 1.00 75.00 H new ATOM 0 HG2 PRO A 79 -4.319 -12.422 6.169 1.00 75.00 H new ATOM 0 HG3 PRO A 79 -4.519 -10.880 6.977 1.00 75.00 H new ATOM 0 HD2 PRO A 79 -5.493 -13.247 8.028 1.00 75.00 H new ATOM 0 HD3 PRO A 79 -6.216 -11.690 8.385 1.00 75.00 H new ATOM 1262 N LEU A 80 -6.413 -14.686 5.096 1.00 75.00 N ATOM 1263 CA LEU A 80 -5.848 -15.872 4.444 1.00 75.00 C ATOM 1264 C LEU A 80 -6.926 -16.738 3.756 1.00 75.00 C ATOM 1265 O LEU A 80 -6.648 -17.874 3.360 1.00 75.00 O ATOM 1266 CB LEU A 80 -5.084 -16.699 5.508 1.00 75.00 C ATOM 1267 CG LEU A 80 -3.905 -15.988 6.252 1.00 75.00 C ATOM 1268 CD1 LEU A 80 -3.137 -17.005 7.115 1.00 75.00 C ATOM 1269 CD2 LEU A 80 -2.961 -15.247 5.270 1.00 75.00 C ATOM 0 H LEU A 80 -6.606 -14.827 6.088 1.00 75.00 H new ATOM 0 HA LEU A 80 -5.170 -15.544 3.656 1.00 75.00 H new ATOM 0 HB2 LEU A 80 -5.803 -17.034 6.256 1.00 75.00 H new ATOM 0 HB3 LEU A 80 -4.689 -17.592 5.023 1.00 75.00 H new ATOM 0 HG LEU A 80 -4.329 -15.226 6.907 1.00 75.00 H new ATOM 0 HD11 LEU A 80 -2.318 -16.501 7.629 1.00 75.00 H new ATOM 0 HD12 LEU A 80 -3.813 -17.442 7.850 1.00 75.00 H new ATOM 0 HD13 LEU A 80 -2.735 -17.793 6.478 1.00 75.00 H new ATOM 0 HD21 LEU A 80 -2.157 -14.768 5.829 1.00 75.00 H new ATOM 0 HD22 LEU A 80 -2.536 -15.961 4.565 1.00 75.00 H new ATOM 0 HD23 LEU A 80 -3.525 -14.490 4.725 1.00 75.00 H new ATOM 1281 N LYS A 81 -8.152 -16.189 3.600 1.00 75.00 N ATOM 1282 CA LYS A 81 -9.287 -16.895 2.958 1.00 75.00 C ATOM 1283 C LYS A 81 -9.081 -17.088 1.439 1.00 75.00 C ATOM 1284 O LYS A 81 -9.845 -17.817 0.796 1.00 75.00 O ATOM 1285 CB LYS A 81 -10.617 -16.151 3.251 1.00 75.00 C ATOM 1286 CG LYS A 81 -10.619 -14.645 2.890 1.00 75.00 C ATOM 1287 CD LYS A 81 -11.935 -13.937 3.287 1.00 75.00 C ATOM 1288 CE LYS A 81 -13.164 -14.452 2.504 1.00 75.00 C ATOM 1289 NZ LYS A 81 -13.072 -14.162 1.046 1.00 75.00 N ATOM 0 H LYS A 81 -8.383 -15.247 3.914 1.00 75.00 H new ATOM 0 HA LYS A 81 -9.337 -17.893 3.392 1.00 75.00 H new ATOM 0 HB2 LYS A 81 -11.419 -16.642 2.700 1.00 75.00 H new ATOM 0 HB3 LYS A 81 -10.848 -16.255 4.311 1.00 75.00 H new ATOM 0 HG2 LYS A 81 -9.783 -14.155 3.389 1.00 75.00 H new ATOM 0 HG3 LYS A 81 -10.460 -14.533 1.818 1.00 75.00 H new ATOM 0 HD2 LYS A 81 -12.108 -14.077 4.354 1.00 75.00 H new ATOM 0 HD3 LYS A 81 -11.828 -12.865 3.119 1.00 75.00 H new ATOM 0 HE2 LYS A 81 -13.261 -15.528 2.652 1.00 75.00 H new ATOM 0 HE3 LYS A 81 -14.066 -13.992 2.907 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 -13.955 -14.450 0.578 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 -12.921 -13.143 0.904 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 -12.275 -14.690 0.637 1.00 75.00 H new ATOM 1303 N ILE A 82 -8.056 -16.428 0.872 1.00 75.00 N ATOM 1304 CA ILE A 82 -7.618 -16.664 -0.520 1.00 75.00 C ATOM 1305 C ILE A 82 -6.637 -17.859 -0.568 1.00 75.00 C ATOM 1306 O ILE A 82 -6.434 -18.541 0.443 1.00 75.00 O ATOM 1307 CB ILE A 82 -6.956 -15.375 -1.146 1.00 75.00 C ATOM 1308 CG1 ILE A 82 -5.654 -14.964 -0.381 1.00 75.00 C ATOM 1309 CG2 ILE A 82 -7.968 -14.211 -1.186 1.00 75.00 C ATOM 1310 CD1 ILE A 82 -4.877 -13.824 -1.029 1.00 75.00 C ATOM 0 H ILE A 82 -7.509 -15.719 1.360 1.00 75.00 H new ATOM 0 HA ILE A 82 -8.498 -16.901 -1.118 1.00 75.00 H new ATOM 0 HB ILE A 82 -6.666 -15.614 -2.169 1.00 75.00 H new ATOM 0 HG12 ILE A 82 -5.920 -14.674 0.635 1.00 75.00 H new ATOM 0 HG13 ILE A 82 -5.002 -15.834 -0.304 1.00 75.00 H new ATOM 0 HG21 ILE A 82 -7.494 -13.331 -1.621 1.00 75.00 H new ATOM 0 HG22 ILE A 82 -8.827 -14.497 -1.793 1.00 75.00 H new ATOM 0 HG23 ILE A 82 -8.299 -13.982 -0.173 1.00 75.00 H new ATOM 0 HD11 ILE A 82 -3.990 -13.604 -0.434 1.00 75.00 H new ATOM 0 HD12 ILE A 82 -4.576 -14.115 -2.035 1.00 75.00 H new ATOM 0 HD13 ILE A 82 -5.508 -12.937 -1.081 1.00 75.00 H new ATOM 1322 N ARG A 83 -6.044 -18.111 -1.754 1.00 75.00 N ATOM 1323 CA ARG A 83 -5.065 -19.199 -1.956 1.00 75.00 C ATOM 1324 C ARG A 83 -3.820 -19.019 -1.061 1.00 75.00 C ATOM 1325 O ARG A 83 -3.274 -19.992 -0.534 1.00 75.00 O ATOM 1326 CB ARG A 83 -4.639 -19.269 -3.444 1.00 75.00 C ATOM 1327 CG ARG A 83 -3.699 -20.451 -3.785 1.00 75.00 C ATOM 1328 CD ARG A 83 -3.277 -20.483 -5.261 1.00 75.00 C ATOM 1329 NE ARG A 83 -2.477 -21.682 -5.587 1.00 75.00 N ATOM 1330 CZ ARG A 83 -1.757 -21.842 -6.709 1.00 75.00 C ATOM 1331 NH1 ARG A 83 -1.713 -20.879 -7.625 1.00 75.00 N ATOM 1332 NH2 ARG A 83 -1.092 -22.975 -6.907 1.00 75.00 N ATOM 0 H ARG A 83 -6.230 -17.567 -2.597 1.00 75.00 H new ATOM 0 HA ARG A 83 -5.550 -20.134 -1.674 1.00 75.00 H new ATOM 0 HB2 ARG A 83 -5.534 -19.342 -4.062 1.00 75.00 H new ATOM 0 HB3 ARG A 83 -4.142 -18.336 -3.711 1.00 75.00 H new ATOM 0 HG2 ARG A 83 -2.808 -20.390 -3.160 1.00 75.00 H new ATOM 0 HG3 ARG A 83 -4.199 -21.387 -3.536 1.00 75.00 H new ATOM 0 HD2 ARG A 83 -4.166 -20.459 -5.892 1.00 75.00 H new ATOM 0 HD3 ARG A 83 -2.698 -19.589 -5.491 1.00 75.00 H new ATOM 0 HE ARG A 83 -2.471 -22.444 -4.910 1.00 75.00 H new ATOM 0 HH11 ARG A 83 -2.228 -20.011 -7.478 1.00 75.00 H new ATOM 0 HH12 ARG A 83 -1.164 -21.008 -8.475 1.00 75.00 H new ATOM 0 HH21 ARG A 83 -1.130 -23.717 -6.209 1.00 75.00 H new ATOM 0 HH22 ARG A 83 -0.543 -23.102 -7.757 1.00 75.00 H new ATOM 1346 N LEU A 84 -3.386 -17.757 -0.906 1.00 75.00 N ATOM 1347 CA LEU A 84 -2.203 -17.412 -0.104 1.00 75.00 C ATOM 1348 C LEU A 84 -2.595 -17.354 1.386 1.00 75.00 C ATOM 1349 O LEU A 84 -3.010 -16.314 1.904 1.00 75.00 O ATOM 1350 CB LEU A 84 -1.579 -16.083 -0.615 1.00 75.00 C ATOM 1351 CG LEU A 84 -1.200 -16.070 -2.137 1.00 75.00 C ATOM 1352 CD1 LEU A 84 -0.592 -14.726 -2.567 1.00 75.00 C ATOM 1353 CD2 LEU A 84 -0.264 -17.244 -2.492 1.00 75.00 C ATOM 0 H LEU A 84 -3.844 -16.951 -1.332 1.00 75.00 H new ATOM 0 HA LEU A 84 -1.436 -18.179 -0.212 1.00 75.00 H new ATOM 0 HB2 LEU A 84 -2.282 -15.272 -0.424 1.00 75.00 H new ATOM 0 HB3 LEU A 84 -0.683 -15.872 -0.031 1.00 75.00 H new ATOM 0 HG LEU A 84 -2.126 -16.198 -2.697 1.00 75.00 H new ATOM 0 HD11 LEU A 84 -0.344 -14.761 -3.628 1.00 75.00 H new ATOM 0 HD12 LEU A 84 -1.312 -13.927 -2.389 1.00 75.00 H new ATOM 0 HD13 LEU A 84 0.312 -14.534 -1.990 1.00 75.00 H new ATOM 0 HD21 LEU A 84 -0.020 -17.207 -3.554 1.00 75.00 H new ATOM 0 HD22 LEU A 84 0.652 -17.169 -1.906 1.00 75.00 H new ATOM 0 HD23 LEU A 84 -0.762 -18.187 -2.267 1.00 75.00 H new ATOM 1365 N THR A 85 -2.515 -18.530 2.030 1.00 75.00 N ATOM 1366 CA THR A 85 -2.903 -18.742 3.428 1.00 75.00 C ATOM 1367 C THR A 85 -1.656 -19.081 4.287 1.00 75.00 C ATOM 1368 O THR A 85 -1.508 -20.179 4.853 1.00 75.00 O ATOM 1369 CB THR A 85 -4.044 -19.833 3.509 1.00 75.00 C ATOM 1370 OG1 THR A 85 -4.442 -20.050 4.871 1.00 75.00 O ATOM 1371 CG2 THR A 85 -3.654 -21.175 2.851 1.00 75.00 C ATOM 0 H THR A 85 -2.170 -19.378 1.579 1.00 75.00 H new ATOM 0 HA THR A 85 -3.319 -17.825 3.846 1.00 75.00 H new ATOM 0 HB THR A 85 -4.885 -19.435 2.940 1.00 75.00 H new ATOM 0 HG1 THR A 85 -5.150 -20.727 4.901 1.00 75.00 H new ATOM 0 HG21 THR A 85 -4.481 -21.879 2.942 1.00 75.00 H new ATOM 0 HG22 THR A 85 -3.430 -21.012 1.797 1.00 75.00 H new ATOM 0 HG23 THR A 85 -2.775 -21.583 3.349 1.00 75.00 H new ATOM 1379 N ARG A 86 -0.738 -18.095 4.375 1.00 75.00 N ATOM 1380 CA ARG A 86 0.582 -18.247 5.040 1.00 75.00 C ATOM 1381 C ARG A 86 1.016 -16.913 5.681 1.00 75.00 C ATOM 1382 O ARG A 86 0.960 -15.868 5.018 1.00 75.00 O ATOM 1383 CB ARG A 86 1.660 -18.694 4.008 1.00 75.00 C ATOM 1384 CG ARG A 86 1.513 -20.132 3.459 1.00 75.00 C ATOM 1385 CD ARG A 86 2.444 -20.400 2.267 1.00 75.00 C ATOM 1386 NE ARG A 86 2.069 -19.571 1.100 1.00 75.00 N ATOM 1387 CZ ARG A 86 2.908 -19.146 0.140 1.00 75.00 C ATOM 1388 NH1 ARG A 86 4.199 -19.458 0.174 1.00 75.00 N ATOM 1389 NH2 ARG A 86 2.432 -18.427 -0.865 1.00 75.00 N ATOM 0 H ARG A 86 -0.889 -17.164 3.986 1.00 75.00 H new ATOM 0 HA ARG A 86 0.487 -19.007 5.816 1.00 75.00 H new ATOM 0 HB2 ARG A 86 1.640 -18.001 3.167 1.00 75.00 H new ATOM 0 HB3 ARG A 86 2.641 -18.602 4.474 1.00 75.00 H new ATOM 0 HG2 ARG A 86 1.730 -20.846 4.254 1.00 75.00 H new ATOM 0 HG3 ARG A 86 0.480 -20.298 3.154 1.00 75.00 H new ATOM 0 HD2 ARG A 86 3.474 -20.187 2.552 1.00 75.00 H new ATOM 0 HD3 ARG A 86 2.399 -21.455 1.997 1.00 75.00 H new ATOM 0 HE ARG A 86 1.090 -19.299 1.017 1.00 75.00 H new ATOM 0 HH11 ARG A 86 4.566 -20.028 0.936 1.00 75.00 H new ATOM 0 HH12 ARG A 86 4.823 -19.128 -0.562 1.00 75.00 H new ATOM 0 HH21 ARG A 86 1.438 -18.201 -0.905 1.00 75.00 H new ATOM 0 HH22 ARG A 86 3.059 -18.099 -1.599 1.00 75.00 H new ATOM 1403 N GLU A 87 1.471 -16.967 6.955 1.00 75.00 N ATOM 1404 CA GLU A 87 2.015 -15.803 7.684 1.00 75.00 C ATOM 1405 C GLU A 87 3.383 -16.176 8.312 1.00 75.00 C ATOM 1406 O GLU A 87 4.438 -15.908 7.722 1.00 75.00 O ATOM 1407 CB GLU A 87 1.030 -15.308 8.782 1.00 75.00 C ATOM 1408 CG GLU A 87 -0.346 -14.828 8.274 1.00 75.00 C ATOM 1409 CD GLU A 87 -1.313 -14.457 9.412 1.00 75.00 C ATOM 1410 OE1 GLU A 87 -1.467 -15.274 10.347 1.00 75.00 O ATOM 1411 OE2 GLU A 87 -1.935 -13.372 9.375 1.00 75.00 O ATOM 0 H GLU A 87 1.470 -17.825 7.506 1.00 75.00 H new ATOM 0 HA GLU A 87 2.152 -14.987 6.975 1.00 75.00 H new ATOM 0 HB2 GLU A 87 0.872 -16.117 9.495 1.00 75.00 H new ATOM 0 HB3 GLU A 87 1.502 -14.490 9.327 1.00 75.00 H new ATOM 0 HG2 GLU A 87 -0.206 -13.962 7.627 1.00 75.00 H new ATOM 0 HG3 GLU A 87 -0.795 -15.612 7.664 1.00 75.00 H new ATOM 1418 N ALA A 88 3.345 -16.863 9.473 1.00 75.00 N ATOM 1419 CA ALA A 88 4.545 -17.154 10.291 1.00 75.00 C ATOM 1420 C ALA A 88 4.209 -18.216 11.370 1.00 75.00 C ATOM 1421 O ALA A 88 3.027 -18.550 11.541 1.00 75.00 O ATOM 1422 CB ALA A 88 5.037 -15.839 10.949 1.00 75.00 C ATOM 0 H ALA A 88 2.482 -17.232 9.871 1.00 75.00 H new ATOM 0 HA ALA A 88 5.336 -17.555 9.658 1.00 75.00 H new ATOM 0 HB1 ALA A 88 5.921 -16.043 11.554 1.00 75.00 H new ATOM 0 HB2 ALA A 88 5.287 -15.115 10.173 1.00 75.00 H new ATOM 0 HB3 ALA A 88 4.249 -15.433 11.583 1.00 75.00 H new ATOM 1428 N PRO A 89 5.234 -18.816 12.073 1.00 75.00 N ATOM 1429 CA PRO A 89 5.007 -19.636 13.292 1.00 75.00 C ATOM 1430 C PRO A 89 4.515 -18.782 14.499 1.00 75.00 C ATOM 1431 O PRO A 89 5.352 -18.236 15.242 1.00 75.00 O ATOM 1432 CB PRO A 89 6.394 -20.305 13.562 1.00 75.00 C ATOM 1433 CG PRO A 89 7.174 -20.113 12.301 1.00 75.00 C ATOM 1434 CD PRO A 89 6.676 -18.816 11.705 1.00 75.00 C ATOM 1435 OXT PRO A 89 3.293 -18.662 14.696 1.00 75.00 O ATOM 0 HA PRO A 89 4.214 -20.371 13.153 1.00 75.00 H new ATOM 0 HB2 PRO A 89 6.897 -19.841 14.410 1.00 75.00 H new ATOM 0 HB3 PRO A 89 6.282 -21.363 13.798 1.00 75.00 H new ATOM 0 HG2 PRO A 89 8.243 -20.065 12.506 1.00 75.00 H new ATOM 0 HG3 PRO A 89 7.018 -20.945 11.614 1.00 75.00 H new ATOM 0 HD2 PRO A 89 7.199 -17.954 12.119 1.00 75.00 H new ATOM 0 HD3 PRO A 89 6.818 -18.787 10.625 1.00 75.00 H new TER 1443 PRO A 89