USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 76 THR OG1 : rot -81:sc= 0.611 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.372 K(o=0.24,f=-1!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0313 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.381 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -6:sc= 1.79 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 20 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.091) USER MOD Single : A 26 ASN : amide:sc= -2.45! C(o=-2.5!,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 152:sc= -2.73! (180deg=-5.69!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.5) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -129:sc= 0.0402 USER MOD Single : A 56 MET CE :methyl -154:sc= -1.33 (180deg=-3.55!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 168:sc= -0.0592 (180deg=-0.331) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.365 F(o=-1.1,f=-0.37) USER MOD Single : A 68 GLN :FLIP amide:sc= -7.21! C(o=-11!,f=-7.2!) USER MOD Single : A 70 GLN :FLIP amide:sc= 0.976 F(o=-0.49,f=0.98) USER MOD Single : A 74 HIS : no HD1:sc= -3.04! C(o=-3!,f=-3.4!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -63:sc= -3.78! USER MOD Single : A 90 SER OG : rot 180:sc= -0.0644 USER MOD Single : A 95 SER OG : rot 23:sc= 0.275 USER MOD Single : A 97 THR OG1 : rot -88:sc= -0.133 USER MOD Single : A 98 ASN : amide:sc= -0.332 K(o=-0.33,f=-1.7!) USER MOD Single : A 100 ASN : amide:sc= -0.61 K(o=-0.61,f=-2.7) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 103 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.8!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 44:sc= 1.19 USER MOD Single : A 109 SER OG : rot 180:sc= -0.014 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.377 21.619 -22.735 1.00 0.00 N ATOM 2 CA GLY A 1 11.980 20.665 -21.820 1.00 0.00 C ATOM 3 C GLY A 1 11.409 20.823 -20.409 1.00 0.00 C ATOM 4 O GLY A 1 11.098 21.934 -19.982 1.00 0.00 O ATOM 0 H1 GLY A 1 10.720 21.123 -23.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.858 22.339 -22.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.121 22.079 -23.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.802 19.651 -22.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.060 20.810 -21.798 1.00 0.00 H new ATOM 8 N SER A 2 11.289 19.696 -19.724 1.00 0.00 N ATOM 9 CA SER A 2 10.761 19.695 -18.370 1.00 0.00 C ATOM 10 C SER A 2 11.115 18.381 -17.671 1.00 0.00 C ATOM 11 O SER A 2 10.304 17.457 -17.631 1.00 0.00 O ATOM 12 CB SER A 2 9.245 19.904 -18.370 1.00 0.00 C ATOM 13 OG SER A 2 8.576 18.959 -19.200 1.00 0.00 O ATOM 0 H SER A 2 11.548 18.776 -20.081 1.00 0.00 H new ATOM 0 HA SER A 2 11.215 20.523 -17.825 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.868 19.822 -17.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.018 20.913 -18.714 1.00 0.00 H new ATOM 0 HG SER A 2 8.946 18.065 -19.043 1.00 0.00 H new ATOM 19 N SER A 3 12.327 18.340 -17.137 1.00 0.00 N ATOM 20 CA SER A 3 12.799 17.155 -16.442 1.00 0.00 C ATOM 21 C SER A 3 12.926 15.988 -17.423 1.00 0.00 C ATOM 22 O SER A 3 12.220 15.939 -18.429 1.00 0.00 O ATOM 23 CB SER A 3 11.861 16.782 -15.292 1.00 0.00 C ATOM 24 OG SER A 3 11.690 17.856 -14.372 1.00 0.00 O ATOM 0 H SER A 3 12.996 19.109 -17.172 1.00 0.00 H new ATOM 0 HA SER A 3 13.780 17.374 -16.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.891 16.492 -15.695 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.260 15.914 -14.766 1.00 0.00 H new ATOM 0 HG SER A 3 11.083 17.578 -13.654 1.00 0.00 H new ATOM 30 N GLY A 4 13.831 15.077 -17.096 1.00 0.00 N ATOM 31 CA GLY A 4 14.060 13.914 -17.936 1.00 0.00 C ATOM 32 C GLY A 4 14.019 12.626 -17.111 1.00 0.00 C ATOM 33 O GLY A 4 15.039 12.196 -16.574 1.00 0.00 O ATOM 0 H GLY A 4 14.414 15.121 -16.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.304 13.872 -18.720 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.027 14.003 -18.431 1.00 0.00 H new ATOM 37 N SER A 5 12.830 12.046 -17.037 1.00 0.00 N ATOM 38 CA SER A 5 12.643 10.816 -16.287 1.00 0.00 C ATOM 39 C SER A 5 13.211 10.972 -14.875 1.00 0.00 C ATOM 40 O SER A 5 14.350 10.589 -14.614 1.00 0.00 O ATOM 41 CB SER A 5 13.304 9.632 -16.997 1.00 0.00 C ATOM 42 OG SER A 5 14.715 9.612 -16.799 1.00 0.00 O ATOM 0 H SER A 5 11.987 12.405 -17.484 1.00 0.00 H new ATOM 0 HA SER A 5 11.574 10.615 -16.221 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.873 8.701 -16.628 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.088 9.683 -18.064 1.00 0.00 H new ATOM 0 HG SER A 5 14.990 10.422 -16.320 1.00 0.00 H new ATOM 48 N SER A 6 12.390 11.536 -14.001 1.00 0.00 N ATOM 49 CA SER A 6 12.797 11.748 -12.622 1.00 0.00 C ATOM 50 C SER A 6 12.274 10.611 -11.742 1.00 0.00 C ATOM 51 O SER A 6 11.233 10.746 -11.100 1.00 0.00 O ATOM 52 CB SER A 6 12.295 13.096 -12.101 1.00 0.00 C ATOM 53 OG SER A 6 13.367 13.990 -11.813 1.00 0.00 O ATOM 0 H SER A 6 11.446 11.852 -14.221 1.00 0.00 H new ATOM 0 HA SER A 6 13.886 11.757 -12.584 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.635 13.548 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.702 12.938 -11.200 1.00 0.00 H new ATOM 0 HG SER A 6 13.005 14.840 -11.485 1.00 0.00 H new ATOM 59 N GLY A 7 13.020 9.516 -11.740 1.00 0.00 N ATOM 60 CA GLY A 7 12.645 8.356 -10.949 1.00 0.00 C ATOM 61 C GLY A 7 11.511 7.578 -11.620 1.00 0.00 C ATOM 62 O GLY A 7 10.766 8.132 -12.426 1.00 0.00 O ATOM 0 H GLY A 7 13.882 9.408 -12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.510 7.705 -10.819 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.333 8.675 -9.954 1.00 0.00 H new ATOM 66 N PRO A 8 11.415 6.272 -11.253 1.00 0.00 N ATOM 67 CA PRO A 8 10.385 5.412 -11.811 1.00 0.00 C ATOM 68 C PRO A 8 9.019 5.722 -11.195 1.00 0.00 C ATOM 69 O PRO A 8 8.374 4.840 -10.630 1.00 0.00 O ATOM 70 CB PRO A 8 10.857 3.996 -11.526 1.00 0.00 C ATOM 71 CG PRO A 8 11.892 4.117 -10.419 1.00 0.00 C ATOM 72 CD PRO A 8 12.280 5.582 -10.302 1.00 0.00 C ATOM 0 HA PRO A 8 10.246 5.563 -12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.026 3.362 -11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.290 3.542 -12.417 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.486 3.753 -9.475 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.767 3.507 -10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.128 5.952 -9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.332 5.733 -10.542 1.00 0.00 H new ATOM 80 N ASP A 9 8.619 6.979 -11.324 1.00 0.00 N ATOM 81 CA ASP A 9 7.341 7.416 -10.787 1.00 0.00 C ATOM 82 C ASP A 9 7.138 6.800 -9.401 1.00 0.00 C ATOM 83 O ASP A 9 6.520 5.744 -9.272 1.00 0.00 O ATOM 84 CB ASP A 9 6.184 6.964 -11.680 1.00 0.00 C ATOM 85 CG ASP A 9 6.439 7.093 -13.183 1.00 0.00 C ATOM 86 OD1 ASP A 9 7.384 6.428 -13.658 1.00 0.00 O ATOM 87 OD2 ASP A 9 5.682 7.855 -13.823 1.00 0.00 O ATOM 0 H ASP A 9 9.157 7.708 -11.792 1.00 0.00 H new ATOM 0 HA ASP A 9 7.352 8.505 -10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.955 5.923 -11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.299 7.547 -11.425 1.00 0.00 H new ATOM 92 N VAL A 10 7.669 7.486 -8.400 1.00 0.00 N ATOM 93 CA VAL A 10 7.554 7.019 -7.029 1.00 0.00 C ATOM 94 C VAL A 10 7.781 8.193 -6.074 1.00 0.00 C ATOM 95 O VAL A 10 8.817 8.269 -5.415 1.00 0.00 O ATOM 96 CB VAL A 10 8.519 5.857 -6.788 1.00 0.00 C ATOM 97 CG1 VAL A 10 9.973 6.319 -6.904 1.00 0.00 C ATOM 98 CG2 VAL A 10 8.259 5.200 -5.431 1.00 0.00 C ATOM 0 H VAL A 10 8.180 8.362 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 10 6.552 6.635 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 10 8.342 5.109 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.638 5.474 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.149 6.718 -7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.168 7.095 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.959 4.377 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.394 5.936 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.239 4.818 -5.401 1.00 0.00 H new ATOM 108 N ARG A 11 6.797 9.078 -6.030 1.00 0.00 N ATOM 109 CA ARG A 11 6.877 10.244 -5.167 1.00 0.00 C ATOM 110 C ARG A 11 5.758 11.232 -5.504 1.00 0.00 C ATOM 111 O ARG A 11 5.592 11.618 -6.660 1.00 0.00 O ATOM 112 CB ARG A 11 8.228 10.947 -5.314 1.00 0.00 C ATOM 113 CG ARG A 11 9.046 10.838 -4.026 1.00 0.00 C ATOM 114 CD ARG A 11 9.470 12.220 -3.527 1.00 0.00 C ATOM 115 NE ARG A 11 10.804 12.566 -4.067 1.00 0.00 N ATOM 116 CZ ARG A 11 11.951 12.013 -3.647 1.00 0.00 C ATOM 117 NH1 ARG A 11 11.933 11.086 -2.681 1.00 0.00 N ATOM 118 NH2 ARG A 11 13.115 12.388 -4.195 1.00 0.00 N ATOM 0 H ARG A 11 5.939 9.011 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 11 6.768 9.902 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.784 10.505 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.071 11.997 -5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.457 10.335 -3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.929 10.225 -4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.739 12.967 -3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.496 12.230 -2.437 1.00 0.00 H new ATOM 0 HE ARG A 11 10.854 13.269 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.047 10.800 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.806 10.665 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.128 13.094 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.988 11.968 -3.876 1.00 0.00 H new ATOM 132 N ARG A 12 5.018 11.612 -4.473 1.00 0.00 N ATOM 133 CA ARG A 12 3.919 12.547 -4.645 1.00 0.00 C ATOM 134 C ARG A 12 4.405 13.813 -5.353 1.00 0.00 C ATOM 135 O ARG A 12 5.541 14.242 -5.156 1.00 0.00 O ATOM 136 CB ARG A 12 3.305 12.930 -3.296 1.00 0.00 C ATOM 137 CG ARG A 12 2.433 14.180 -3.426 1.00 0.00 C ATOM 138 CD ARG A 12 3.238 15.444 -3.116 1.00 0.00 C ATOM 139 NE ARG A 12 2.846 15.983 -1.795 1.00 0.00 N ATOM 140 CZ ARG A 12 3.050 17.250 -1.410 1.00 0.00 C ATOM 141 NH1 ARG A 12 3.643 18.117 -2.243 1.00 0.00 N ATOM 142 NH2 ARG A 12 2.661 17.651 -0.192 1.00 0.00 N ATOM 0 H ARG A 12 5.158 11.289 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 12 3.158 12.056 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.706 12.102 -2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.097 13.109 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.027 14.241 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.585 14.109 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.304 15.217 -3.123 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.066 16.193 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 12 2.392 15.350 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.939 17.812 -3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.798 19.081 -1.950 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.210 16.992 0.442 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.816 18.616 0.101 1.00 0.00 H new ATOM 156 N ASP A 13 3.521 14.376 -6.164 1.00 0.00 N ATOM 157 CA ASP A 13 3.846 15.584 -6.903 1.00 0.00 C ATOM 158 C ASP A 13 2.552 16.245 -7.384 1.00 0.00 C ATOM 159 O ASP A 13 2.362 17.447 -7.205 1.00 0.00 O ATOM 160 CB ASP A 13 4.699 15.265 -8.132 1.00 0.00 C ATOM 161 CG ASP A 13 5.201 16.486 -8.906 1.00 0.00 C ATOM 162 OD1 ASP A 13 5.616 17.453 -8.231 1.00 0.00 O ATOM 163 OD2 ASP A 13 5.158 16.425 -10.153 1.00 0.00 O ATOM 0 H ASP A 13 2.580 14.018 -6.325 1.00 0.00 H new ATOM 0 HA ASP A 13 4.403 16.246 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.559 14.676 -7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.116 14.640 -8.808 1.00 0.00 H new ATOM 168 N LYS A 14 1.697 15.431 -7.986 1.00 0.00 N ATOM 169 CA LYS A 14 0.428 15.923 -8.494 1.00 0.00 C ATOM 170 C LYS A 14 -0.714 15.142 -7.841 1.00 0.00 C ATOM 171 O LYS A 14 -0.507 14.043 -7.329 1.00 0.00 O ATOM 172 CB LYS A 14 0.409 15.877 -10.023 1.00 0.00 C ATOM 173 CG LYS A 14 0.381 14.432 -10.528 1.00 0.00 C ATOM 174 CD LYS A 14 -0.560 14.288 -11.726 1.00 0.00 C ATOM 175 CE LYS A 14 0.210 13.874 -12.981 1.00 0.00 C ATOM 176 NZ LYS A 14 1.013 15.006 -13.494 1.00 0.00 N ATOM 0 H LYS A 14 1.858 14.435 -8.133 1.00 0.00 H new ATOM 0 HA LYS A 14 0.291 16.971 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.464 16.413 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.288 16.387 -10.417 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.387 14.123 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.058 13.769 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.326 13.546 -11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.074 15.233 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.863 13.031 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.487 13.538 -13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.529 14.707 -14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.383 15.799 -13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.692 15.308 -12.766 1.00 0.00 H new ATOM 190 N PRO A 15 -1.927 15.756 -7.882 1.00 0.00 N ATOM 191 CA PRO A 15 -3.103 15.130 -7.300 1.00 0.00 C ATOM 192 C PRO A 15 -3.611 13.990 -8.185 1.00 0.00 C ATOM 193 O PRO A 15 -3.786 14.165 -9.390 1.00 0.00 O ATOM 194 CB PRO A 15 -4.112 16.256 -7.144 1.00 0.00 C ATOM 195 CG PRO A 15 -3.640 17.369 -8.066 1.00 0.00 C ATOM 196 CD PRO A 15 -2.211 17.057 -8.480 1.00 0.00 C ATOM 0 HA PRO A 15 -2.898 14.662 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.114 15.923 -7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.158 16.598 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.285 17.438 -8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.689 18.332 -7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.111 17.024 -9.565 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.519 17.818 -8.119 1.00 0.00 H new ATOM 204 N VAL A 16 -3.835 12.847 -7.553 1.00 0.00 N ATOM 205 CA VAL A 16 -4.320 11.679 -8.267 1.00 0.00 C ATOM 206 C VAL A 16 -5.351 12.116 -9.310 1.00 0.00 C ATOM 207 O VAL A 16 -6.074 13.089 -9.103 1.00 0.00 O ATOM 208 CB VAL A 16 -4.870 10.651 -7.277 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.734 9.923 -6.554 1.00 0.00 C ATOM 210 CG2 VAL A 16 -5.824 11.308 -6.278 1.00 0.00 C ATOM 0 H VAL A 16 -3.689 12.705 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.504 11.192 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.435 9.910 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.153 9.198 -5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.110 9.406 -7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.129 10.646 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.201 10.555 -5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.293 12.080 -5.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.659 11.758 -6.815 1.00 0.00 H new ATOM 220 N THR A 17 -5.386 11.375 -10.408 1.00 0.00 N ATOM 221 CA THR A 17 -6.317 11.673 -11.483 1.00 0.00 C ATOM 222 C THR A 17 -7.045 10.403 -11.926 1.00 0.00 C ATOM 223 O THR A 17 -6.673 9.299 -11.529 1.00 0.00 O ATOM 224 CB THR A 17 -5.535 12.350 -12.610 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.463 12.410 -13.689 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.399 11.474 -13.144 1.00 0.00 C ATOM 0 H THR A 17 -4.784 10.569 -10.576 1.00 0.00 H new ATOM 0 HA THR A 17 -7.098 12.358 -11.152 1.00 0.00 H new ATOM 0 HB THR A 17 -5.127 13.295 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.039 12.837 -14.462 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.877 12.002 -13.942 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.700 11.253 -12.337 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.810 10.543 -13.534 1.00 0.00 H new ATOM 234 N GLY A 18 -8.069 10.601 -12.743 1.00 0.00 N ATOM 235 CA GLY A 18 -8.853 9.485 -13.244 1.00 0.00 C ATOM 236 C GLY A 18 -7.955 8.295 -13.588 1.00 0.00 C ATOM 237 O GLY A 18 -8.379 7.144 -13.491 1.00 0.00 O ATOM 0 H GLY A 18 -8.374 11.518 -13.071 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.587 9.187 -12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.408 9.794 -14.130 1.00 0.00 H new ATOM 241 N GLU A 19 -6.730 8.613 -13.983 1.00 0.00 N ATOM 242 CA GLU A 19 -5.769 7.584 -14.341 1.00 0.00 C ATOM 243 C GLU A 19 -5.341 6.801 -13.099 1.00 0.00 C ATOM 244 O GLU A 19 -5.336 5.571 -13.106 1.00 0.00 O ATOM 245 CB GLU A 19 -4.557 8.190 -15.052 1.00 0.00 C ATOM 246 CG GLU A 19 -3.831 7.138 -15.892 1.00 0.00 C ATOM 247 CD GLU A 19 -3.593 7.642 -17.317 1.00 0.00 C ATOM 248 OE1 GLU A 19 -4.541 8.237 -17.874 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.469 7.420 -17.817 1.00 0.00 O ATOM 0 H GLU A 19 -6.382 9.568 -14.063 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.248 6.893 -15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.879 9.012 -15.691 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.871 8.609 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.877 6.890 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.419 6.221 -15.920 1.00 0.00 H new ATOM 256 N GLN A 20 -4.991 7.546 -12.060 1.00 0.00 N ATOM 257 CA GLN A 20 -4.562 6.937 -10.813 1.00 0.00 C ATOM 258 C GLN A 20 -5.766 6.374 -10.055 1.00 0.00 C ATOM 259 O GLN A 20 -5.727 5.243 -9.573 1.00 0.00 O ATOM 260 CB GLN A 20 -3.792 7.939 -9.950 1.00 0.00 C ATOM 261 CG GLN A 20 -2.430 8.262 -10.569 1.00 0.00 C ATOM 262 CD GLN A 20 -1.411 8.632 -9.489 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.163 7.889 -8.553 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.837 9.818 -9.670 1.00 0.00 N ATOM 0 H GLN A 20 -4.996 8.566 -12.057 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.887 6.114 -11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.373 8.855 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.653 7.531 -8.949 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.070 7.402 -11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.533 9.087 -11.274 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.091 10.390 -10.476 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.143 10.156 -9.003 1.00 0.00 H new ATOM 273 N ILE A 21 -6.808 7.189 -9.975 1.00 0.00 N ATOM 274 CA ILE A 21 -8.022 6.786 -9.285 1.00 0.00 C ATOM 275 C ILE A 21 -8.332 5.325 -9.618 1.00 0.00 C ATOM 276 O ILE A 21 -8.197 4.448 -8.765 1.00 0.00 O ATOM 277 CB ILE A 21 -9.167 7.747 -9.609 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.933 9.116 -8.967 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.516 7.148 -9.207 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.257 9.846 -8.734 1.00 0.00 C ATOM 0 H ILE A 21 -6.837 8.126 -10.376 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.884 6.845 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.191 7.898 -10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.410 8.992 -8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.290 9.718 -9.609 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.313 7.852 -9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.677 6.217 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.521 6.948 -8.135 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.062 10.816 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.766 9.990 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.888 9.253 -8.072 1.00 0.00 H new ATOM 292 N GLU A 22 -8.741 5.108 -10.859 1.00 0.00 N ATOM 293 CA GLU A 22 -9.071 3.769 -11.315 1.00 0.00 C ATOM 294 C GLU A 22 -8.069 2.756 -10.758 1.00 0.00 C ATOM 295 O GLU A 22 -8.459 1.707 -10.247 1.00 0.00 O ATOM 296 CB GLU A 22 -9.122 3.707 -12.843 1.00 0.00 C ATOM 297 CG GLU A 22 -7.789 4.144 -13.453 1.00 0.00 C ATOM 298 CD GLU A 22 -7.853 4.123 -14.982 1.00 0.00 C ATOM 299 OE1 GLU A 22 -8.422 3.145 -15.513 1.00 0.00 O ATOM 300 OE2 GLU A 22 -7.331 5.086 -15.585 1.00 0.00 O ATOM 0 H GLU A 22 -8.851 5.838 -11.563 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.062 3.513 -10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.357 2.691 -13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.922 4.349 -13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.539 5.148 -13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.994 3.483 -13.110 1.00 0.00 H new ATOM 307 N VAL A 23 -6.796 3.106 -10.874 1.00 0.00 N ATOM 308 CA VAL A 23 -5.735 2.241 -10.389 1.00 0.00 C ATOM 309 C VAL A 23 -5.898 2.037 -8.881 1.00 0.00 C ATOM 310 O VAL A 23 -6.029 0.907 -8.414 1.00 0.00 O ATOM 311 CB VAL A 23 -4.371 2.821 -10.769 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.297 2.401 -9.764 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.980 2.415 -12.192 1.00 0.00 C ATOM 0 H VAL A 23 -6.476 3.977 -11.297 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.798 1.260 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.449 3.908 -10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.338 2.827 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.566 2.763 -8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.221 1.314 -9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.007 2.840 -12.437 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.929 1.328 -12.259 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.726 2.787 -12.894 1.00 0.00 H new ATOM 323 N PHE A 24 -5.886 3.150 -8.161 1.00 0.00 N ATOM 324 CA PHE A 24 -6.031 3.108 -6.716 1.00 0.00 C ATOM 325 C PHE A 24 -7.207 2.217 -6.309 1.00 0.00 C ATOM 326 O PHE A 24 -7.061 1.343 -5.456 1.00 0.00 O ATOM 327 CB PHE A 24 -6.307 4.540 -6.253 1.00 0.00 C ATOM 328 CG PHE A 24 -5.450 4.986 -5.067 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.721 4.521 -3.818 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.416 5.848 -5.262 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.926 4.936 -2.718 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.620 6.263 -4.161 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.892 5.798 -2.912 1.00 0.00 C ATOM 0 H PHE A 24 -5.778 4.086 -8.552 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.127 2.701 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.136 5.220 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.359 4.627 -5.981 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.541 3.836 -3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.200 6.217 -6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.142 4.567 -1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.799 6.948 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.287 6.113 -2.075 1.00 0.00 H new ATOM 343 N ALA A 25 -8.345 2.470 -6.937 1.00 0.00 N ATOM 344 CA ALA A 25 -9.545 1.702 -6.651 1.00 0.00 C ATOM 345 C ALA A 25 -9.177 0.224 -6.510 1.00 0.00 C ATOM 346 O ALA A 25 -9.314 -0.354 -5.433 1.00 0.00 O ATOM 347 CB ALA A 25 -10.580 1.943 -7.751 1.00 0.00 C ATOM 0 H ALA A 25 -8.462 3.196 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.990 2.022 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.480 1.367 -7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.829 3.003 -7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.170 1.631 -8.711 1.00 0.00 H new ATOM 353 N ASN A 26 -8.717 -0.347 -7.615 1.00 0.00 N ATOM 354 CA ASN A 26 -8.329 -1.747 -7.628 1.00 0.00 C ATOM 355 C ASN A 26 -7.502 -2.054 -6.378 1.00 0.00 C ATOM 356 O ASN A 26 -7.734 -3.059 -5.708 1.00 0.00 O ATOM 357 CB ASN A 26 -7.471 -2.069 -8.853 1.00 0.00 C ATOM 358 CG ASN A 26 -8.259 -1.852 -10.147 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.083 -2.658 -10.544 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.960 -0.721 -10.779 1.00 0.00 N ATOM 0 H ASN A 26 -8.605 0.135 -8.507 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.238 -2.349 -7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.582 -1.439 -8.854 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.129 -3.103 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.432 -0.485 -11.652 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.259 -0.090 -10.391 1.00 0.00 H new ATOM 367 N LYS A 27 -6.555 -1.170 -6.101 1.00 0.00 N ATOM 368 CA LYS A 27 -5.693 -1.334 -4.943 1.00 0.00 C ATOM 369 C LYS A 27 -6.543 -1.306 -3.672 1.00 0.00 C ATOM 370 O LYS A 27 -6.523 -2.252 -2.886 1.00 0.00 O ATOM 371 CB LYS A 27 -4.573 -0.292 -4.957 1.00 0.00 C ATOM 372 CG LYS A 27 -3.475 -0.680 -5.949 1.00 0.00 C ATOM 373 CD LYS A 27 -3.005 0.536 -6.750 1.00 0.00 C ATOM 374 CE LYS A 27 -1.592 0.952 -6.337 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.583 0.248 -7.159 1.00 0.00 N ATOM 0 H LYS A 27 -6.366 -0.337 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.195 -2.303 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.982 0.683 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.148 -0.196 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.632 -1.114 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.848 -1.446 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.023 0.304 -7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.693 1.367 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.476 2.030 -6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.433 0.725 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.370 0.542 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.684 -0.779 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.725 0.485 -8.162 1.00 0.00 H new ATOM 389 N LEU A 28 -7.271 -0.211 -3.509 1.00 0.00 N ATOM 390 CA LEU A 28 -8.127 -0.048 -2.346 1.00 0.00 C ATOM 391 C LEU A 28 -8.942 -1.325 -2.134 1.00 0.00 C ATOM 392 O LEU A 28 -8.754 -2.027 -1.141 1.00 0.00 O ATOM 393 CB LEU A 28 -8.984 1.212 -2.484 1.00 0.00 C ATOM 394 CG LEU A 28 -9.574 1.768 -1.187 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.553 1.705 -0.049 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.116 3.184 -1.393 1.00 0.00 C ATOM 0 H LEU A 28 -7.286 0.572 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.526 0.099 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.378 1.991 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.804 0.996 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.417 1.140 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.998 2.106 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.257 0.669 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.675 2.295 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.530 3.555 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.308 3.839 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.897 3.168 -2.153 1.00 0.00 H new ATOM 408 N GLY A 29 -9.828 -1.588 -3.082 1.00 0.00 N ATOM 409 CA GLY A 29 -10.672 -2.769 -3.012 1.00 0.00 C ATOM 410 C GLY A 29 -11.787 -2.585 -1.981 1.00 0.00 C ATOM 411 O GLY A 29 -12.683 -1.763 -2.170 1.00 0.00 O ATOM 0 H GLY A 29 -9.980 -1.003 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.107 -2.968 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.068 -3.637 -2.749 1.00 0.00 H new ATOM 415 N GLU A 30 -11.696 -3.364 -0.913 1.00 0.00 N ATOM 416 CA GLU A 30 -12.687 -3.297 0.149 1.00 0.00 C ATOM 417 C GLU A 30 -12.177 -2.423 1.296 1.00 0.00 C ATOM 418 O GLU A 30 -12.840 -2.293 2.324 1.00 0.00 O ATOM 419 CB GLU A 30 -13.051 -4.697 0.647 1.00 0.00 C ATOM 420 CG GLU A 30 -11.845 -5.380 1.294 1.00 0.00 C ATOM 421 CD GLU A 30 -11.656 -6.795 0.744 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.337 -7.704 1.267 1.00 0.00 O ATOM 423 OE2 GLU A 30 -10.834 -6.937 -0.188 1.00 0.00 O ATOM 0 H GLU A 30 -10.952 -4.045 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.593 -2.843 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.865 -4.630 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.412 -5.301 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.947 -4.791 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.982 -5.421 2.375 1.00 0.00 H new ATOM 430 N GLN A 31 -11.004 -1.845 1.081 1.00 0.00 N ATOM 431 CA GLN A 31 -10.398 -0.986 2.085 1.00 0.00 C ATOM 432 C GLN A 31 -10.897 0.451 1.925 1.00 0.00 C ATOM 433 O GLN A 31 -10.395 1.363 2.579 1.00 0.00 O ATOM 434 CB GLN A 31 -8.871 -1.048 2.009 1.00 0.00 C ATOM 435 CG GLN A 31 -8.315 -2.079 2.994 1.00 0.00 C ATOM 436 CD GLN A 31 -7.067 -2.760 2.428 1.00 0.00 C ATOM 437 OE1 GLN A 31 -6.316 -2.191 1.653 1.00 0.00 O ATOM 438 NE2 GLN A 31 -6.889 -4.006 2.857 1.00 0.00 N ATOM 0 H GLN A 31 -10.457 -1.954 0.227 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.695 -1.345 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.564 -1.305 0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.452 -0.066 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.071 -1.591 3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.076 -2.828 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.557 -4.422 3.506 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.085 -4.546 2.537 1.00 0.00 H new ATOM 447 N TRP A 32 -11.880 0.608 1.050 1.00 0.00 N ATOM 448 CA TRP A 32 -12.453 1.919 0.796 1.00 0.00 C ATOM 449 C TRP A 32 -13.217 2.353 2.048 1.00 0.00 C ATOM 450 O TRP A 32 -13.119 3.503 2.473 1.00 0.00 O ATOM 451 CB TRP A 32 -13.325 1.902 -0.461 1.00 0.00 C ATOM 452 CG TRP A 32 -14.659 1.174 -0.283 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.931 -0.118 -0.513 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.900 1.751 0.176 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.250 -0.415 -0.237 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.858 0.758 0.195 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.202 3.069 0.562 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.182 0.979 0.591 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.530 3.273 0.955 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.507 2.284 0.980 1.00 0.00 C ATOM 0 H TRP A 32 -12.294 -0.151 0.508 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.669 2.650 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.522 2.929 -0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.769 1.428 -1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.208 -0.837 -0.870 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.697 -1.327 -0.332 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.468 3.861 0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.914 0.185 0.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.816 4.269 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.512 2.521 1.298 1.00 0.00 H new ATOM 471 N LYS A 33 -13.962 1.408 2.605 1.00 0.00 N ATOM 472 CA LYS A 33 -14.743 1.678 3.800 1.00 0.00 C ATOM 473 C LYS A 33 -13.796 1.923 4.977 1.00 0.00 C ATOM 474 O LYS A 33 -14.228 2.354 6.046 1.00 0.00 O ATOM 475 CB LYS A 33 -15.752 0.555 4.045 1.00 0.00 C ATOM 476 CG LYS A 33 -17.018 1.092 4.716 1.00 0.00 C ATOM 477 CD LYS A 33 -17.919 -0.053 5.183 1.00 0.00 C ATOM 478 CE LYS A 33 -19.387 0.378 5.203 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.182 -0.532 6.058 1.00 0.00 N ATOM 0 H LYS A 33 -14.041 0.455 2.250 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.335 2.584 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.011 0.081 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.301 -0.213 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.746 1.716 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.563 1.727 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.797 -0.910 4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.617 -0.375 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.467 1.399 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.787 0.376 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.176 -0.226 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.119 -1.501 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.810 -0.509 7.029 1.00 0.00 H new ATOM 493 N ILE A 34 -12.524 1.637 4.742 1.00 0.00 N ATOM 494 CA ILE A 34 -11.514 1.821 5.770 1.00 0.00 C ATOM 495 C ILE A 34 -10.900 3.216 5.632 1.00 0.00 C ATOM 496 O ILE A 34 -10.404 3.778 6.607 1.00 0.00 O ATOM 497 CB ILE A 34 -10.485 0.689 5.718 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.155 -0.671 5.925 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.355 0.930 6.721 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.128 -1.803 5.865 1.00 0.00 C ATOM 0 H ILE A 34 -12.170 1.279 3.855 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.965 1.767 6.761 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.037 0.679 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.663 -0.687 6.889 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.917 -0.825 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.637 0.112 6.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.854 1.869 6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.768 0.981 7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.631 -2.759 6.015 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.639 -1.799 4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.382 -1.659 6.646 1.00 0.00 H new ATOM 512 N LEU A 35 -10.955 3.734 4.414 1.00 0.00 N ATOM 513 CA LEU A 35 -10.411 5.052 4.136 1.00 0.00 C ATOM 514 C LEU A 35 -11.535 6.088 4.205 1.00 0.00 C ATOM 515 O LEU A 35 -11.276 7.290 4.234 1.00 0.00 O ATOM 516 CB LEU A 35 -9.657 5.052 2.805 1.00 0.00 C ATOM 517 CG LEU A 35 -8.132 4.959 2.898 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.473 5.458 1.611 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.612 5.698 4.133 1.00 0.00 C ATOM 0 H LEU A 35 -11.368 3.265 3.608 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.676 5.327 4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.016 4.215 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.913 5.963 2.265 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.860 3.910 3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.390 5.381 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.809 4.851 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.750 6.498 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.526 5.616 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.895 6.749 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.044 5.256 5.031 1.00 0.00 H new ATOM 531 N ALA A 36 -12.760 5.584 4.231 1.00 0.00 N ATOM 532 CA ALA A 36 -13.925 6.450 4.296 1.00 0.00 C ATOM 533 C ALA A 36 -13.892 7.244 5.603 1.00 0.00 C ATOM 534 O ALA A 36 -14.054 8.463 5.598 1.00 0.00 O ATOM 535 CB ALA A 36 -15.196 5.609 4.156 1.00 0.00 C ATOM 0 H ALA A 36 -12.971 4.586 4.208 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.917 7.166 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.070 6.259 4.205 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.184 5.088 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.241 4.880 4.965 1.00 0.00 H new ATOM 541 N PRO A 37 -13.677 6.500 6.722 1.00 0.00 N ATOM 542 CA PRO A 37 -13.621 7.122 8.034 1.00 0.00 C ATOM 543 C PRO A 37 -12.299 7.866 8.232 1.00 0.00 C ATOM 544 O PRO A 37 -12.066 8.455 9.287 1.00 0.00 O ATOM 545 CB PRO A 37 -13.812 5.979 9.018 1.00 0.00 C ATOM 546 CG PRO A 37 -13.504 4.707 8.246 1.00 0.00 C ATOM 547 CD PRO A 37 -13.481 5.054 6.766 1.00 0.00 C ATOM 0 HA PRO A 37 -14.389 7.883 8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.147 6.086 9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.831 5.964 9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.544 4.295 8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.258 3.946 8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.535 4.768 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.269 4.531 6.224 1.00 0.00 H new ATOM 555 N TYR A 38 -11.468 7.816 7.202 1.00 0.00 N ATOM 556 CA TYR A 38 -10.176 8.479 7.249 1.00 0.00 C ATOM 557 C TYR A 38 -10.076 9.564 6.176 1.00 0.00 C ATOM 558 O TYR A 38 -9.107 10.321 6.141 1.00 0.00 O ATOM 559 CB TYR A 38 -9.135 7.395 6.960 1.00 0.00 C ATOM 560 CG TYR A 38 -8.852 6.472 8.147 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.789 5.535 8.531 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.659 6.577 8.833 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.522 4.666 9.648 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.392 5.708 9.950 1.00 0.00 C ATOM 565 CZ TYR A 38 -8.337 4.796 10.302 1.00 0.00 C ATOM 566 OH TYR A 38 -8.084 3.975 11.357 1.00 0.00 O ATOM 0 H TYR A 38 -11.664 7.326 6.329 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.025 8.956 8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.477 6.793 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.204 7.872 6.654 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.723 5.453 7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.926 7.311 8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.246 3.928 9.959 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.463 5.779 10.495 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.200 4.180 11.726 1.00 0.00 H new ATOM 576 N LEU A 39 -11.092 9.606 5.326 1.00 0.00 N ATOM 577 CA LEU A 39 -11.131 10.586 4.254 1.00 0.00 C ATOM 578 C LEU A 39 -12.093 11.713 4.634 1.00 0.00 C ATOM 579 O LEU A 39 -12.551 12.461 3.771 1.00 0.00 O ATOM 580 CB LEU A 39 -11.469 9.911 2.923 1.00 0.00 C ATOM 581 CG LEU A 39 -10.277 9.428 2.094 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.219 8.774 2.986 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.733 8.496 0.969 1.00 0.00 C ATOM 0 H LEU A 39 -11.894 8.977 5.358 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.149 11.038 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.115 9.057 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.046 10.612 2.319 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.813 10.296 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.382 8.439 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.864 9.498 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.656 7.919 3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.867 8.167 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.236 7.628 1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.422 9.028 0.313 1.00 0.00 H new ATOM 595 N GLU A 40 -12.372 11.799 5.926 1.00 0.00 N ATOM 596 CA GLU A 40 -13.272 12.822 6.431 1.00 0.00 C ATOM 597 C GLU A 40 -14.533 12.893 5.567 1.00 0.00 C ATOM 598 O GLU A 40 -14.927 13.971 5.125 1.00 0.00 O ATOM 599 CB GLU A 40 -12.575 14.183 6.495 1.00 0.00 C ATOM 600 CG GLU A 40 -12.116 14.630 5.106 1.00 0.00 C ATOM 601 CD GLU A 40 -11.632 16.081 5.129 1.00 0.00 C ATOM 602 OE1 GLU A 40 -12.351 16.910 5.729 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.554 16.330 4.547 1.00 0.00 O ATOM 0 H GLU A 40 -11.991 11.177 6.639 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.564 12.552 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.256 14.925 6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.717 14.125 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.313 13.980 4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.938 14.528 4.397 1.00 0.00 H new ATOM 610 N MET A 41 -15.131 11.730 5.354 1.00 0.00 N ATOM 611 CA MET A 41 -16.340 11.647 4.551 1.00 0.00 C ATOM 612 C MET A 41 -17.589 11.734 5.430 1.00 0.00 C ATOM 613 O MET A 41 -17.497 12.046 6.616 1.00 0.00 O ATOM 614 CB MET A 41 -16.350 10.326 3.779 1.00 0.00 C ATOM 615 CG MET A 41 -15.069 10.160 2.960 1.00 0.00 C ATOM 616 SD MET A 41 -14.861 11.552 1.863 1.00 0.00 S ATOM 617 CE MET A 41 -15.298 10.791 0.309 1.00 0.00 C ATOM 0 H MET A 41 -14.801 10.838 5.723 1.00 0.00 H new ATOM 0 HA MET A 41 -16.350 12.485 3.855 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.451 9.494 4.476 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.216 10.294 3.117 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.210 10.080 3.626 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.113 9.236 2.384 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.702 11.546 -0.365 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.411 10.342 -0.138 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.049 10.019 0.480 1.00 0.00 H new ATOM 627 N LYS A 42 -18.728 11.454 4.814 1.00 0.00 N ATOM 628 CA LYS A 42 -19.994 11.497 5.526 1.00 0.00 C ATOM 629 C LYS A 42 -20.658 10.120 5.461 1.00 0.00 C ATOM 630 O LYS A 42 -20.620 9.457 4.426 1.00 0.00 O ATOM 631 CB LYS A 42 -20.872 12.629 4.988 1.00 0.00 C ATOM 632 CG LYS A 42 -20.207 13.990 5.206 1.00 0.00 C ATOM 633 CD LYS A 42 -20.570 14.564 6.577 1.00 0.00 C ATOM 634 CE LYS A 42 -19.588 15.663 6.988 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.227 16.600 7.939 1.00 0.00 N ATOM 0 H LYS A 42 -18.801 11.196 3.830 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.831 11.723 6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.057 12.477 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.841 12.610 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.125 13.887 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.520 14.681 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.582 14.967 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.564 13.768 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.705 15.217 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.250 16.206 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.547 17.339 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.056 17.039 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -20.528 16.081 8.789 1.00 0.00 H new ATOM 649 N ASP A 43 -21.251 9.731 6.580 1.00 0.00 N ATOM 650 CA ASP A 43 -21.922 8.445 6.663 1.00 0.00 C ATOM 651 C ASP A 43 -22.752 8.225 5.397 1.00 0.00 C ATOM 652 O ASP A 43 -22.637 7.186 4.748 1.00 0.00 O ATOM 653 CB ASP A 43 -22.869 8.395 7.864 1.00 0.00 C ATOM 654 CG ASP A 43 -22.897 7.059 8.610 1.00 0.00 C ATOM 655 OD1 ASP A 43 -23.040 6.027 7.920 1.00 0.00 O ATOM 656 OD2 ASP A 43 -22.775 7.101 9.853 1.00 0.00 O ATOM 0 H ASP A 43 -21.281 10.284 7.437 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.160 7.673 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.584 9.180 8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.878 8.624 7.522 1.00 0.00 H new ATOM 661 N SER A 44 -23.569 9.219 5.084 1.00 0.00 N ATOM 662 CA SER A 44 -24.418 9.147 3.907 1.00 0.00 C ATOM 663 C SER A 44 -23.574 8.833 2.671 1.00 0.00 C ATOM 664 O SER A 44 -23.897 7.923 1.908 1.00 0.00 O ATOM 665 CB SER A 44 -25.190 10.452 3.704 1.00 0.00 C ATOM 666 OG SER A 44 -25.674 10.585 2.370 1.00 0.00 O ATOM 0 H SER A 44 -23.661 10.079 5.625 1.00 0.00 H new ATOM 0 HA SER A 44 -25.143 8.347 4.057 1.00 0.00 H new ATOM 0 HB2 SER A 44 -26.029 10.489 4.399 1.00 0.00 H new ATOM 0 HB3 SER A 44 -24.543 11.297 3.941 1.00 0.00 H new ATOM 0 HG SER A 44 -26.162 11.430 2.282 1.00 0.00 H new ATOM 672 N GLU A 45 -22.507 9.602 2.510 1.00 0.00 N ATOM 673 CA GLU A 45 -21.613 9.417 1.380 1.00 0.00 C ATOM 674 C GLU A 45 -21.196 7.949 1.268 1.00 0.00 C ATOM 675 O GLU A 45 -21.303 7.350 0.199 1.00 0.00 O ATOM 676 CB GLU A 45 -20.389 10.328 1.494 1.00 0.00 C ATOM 677 CG GLU A 45 -20.334 11.321 0.331 1.00 0.00 C ATOM 678 CD GLU A 45 -20.274 10.589 -1.012 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.294 9.838 -1.205 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.209 10.799 -1.814 1.00 0.00 O ATOM 0 H GLU A 45 -22.241 10.355 3.144 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.147 9.693 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.422 10.871 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.482 9.724 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.211 11.967 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.461 11.964 0.438 1.00 0.00 H new ATOM 687 N ILE A 46 -20.730 7.413 2.386 1.00 0.00 N ATOM 688 CA ILE A 46 -20.297 6.026 2.427 1.00 0.00 C ATOM 689 C ILE A 46 -21.423 5.129 1.911 1.00 0.00 C ATOM 690 O ILE A 46 -21.174 4.173 1.178 1.00 0.00 O ATOM 691 CB ILE A 46 -19.810 5.658 3.830 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.635 6.542 4.252 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.469 4.169 3.918 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.421 6.482 5.766 1.00 0.00 C ATOM 0 H ILE A 46 -20.643 7.914 3.270 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.442 5.874 1.768 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.621 5.845 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.729 6.218 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.822 7.572 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.125 3.933 4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.356 3.578 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.682 3.933 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.580 7.119 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.320 6.829 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.210 5.455 6.063 1.00 0.00 H new ATOM 706 N ARG A 47 -22.639 5.469 2.313 1.00 0.00 N ATOM 707 CA ARG A 47 -23.804 4.706 1.901 1.00 0.00 C ATOM 708 C ARG A 47 -24.105 4.954 0.421 1.00 0.00 C ATOM 709 O ARG A 47 -24.379 4.015 -0.326 1.00 0.00 O ATOM 710 CB ARG A 47 -25.032 5.082 2.733 1.00 0.00 C ATOM 711 CG ARG A 47 -25.115 4.233 4.003 1.00 0.00 C ATOM 712 CD ARG A 47 -26.514 3.640 4.176 1.00 0.00 C ATOM 713 NE ARG A 47 -26.576 2.843 5.421 1.00 0.00 N ATOM 714 CZ ARG A 47 -27.581 2.013 5.733 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.615 1.867 4.892 1.00 0.00 N ATOM 716 NH2 ARG A 47 -27.553 1.330 6.885 1.00 0.00 N ATOM 0 H ARG A 47 -22.842 6.263 2.920 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.581 3.651 2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.986 6.138 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -25.935 4.943 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.379 3.430 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.866 4.844 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.255 4.439 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.760 3.012 3.320 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.805 2.931 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.637 2.388 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -29.380 1.235 5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -26.767 1.442 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.318 0.698 7.122 1.00 0.00 H new ATOM 730 N GLN A 48 -24.042 6.221 0.041 1.00 0.00 N ATOM 731 CA GLN A 48 -24.304 6.604 -1.336 1.00 0.00 C ATOM 732 C GLN A 48 -23.482 5.738 -2.292 1.00 0.00 C ATOM 733 O GLN A 48 -24.036 5.084 -3.174 1.00 0.00 O ATOM 734 CB GLN A 48 -24.015 8.090 -1.556 1.00 0.00 C ATOM 735 CG GLN A 48 -25.060 8.962 -0.855 1.00 0.00 C ATOM 736 CD GLN A 48 -26.476 8.560 -1.271 1.00 0.00 C ATOM 737 OE1 GLN A 48 -27.330 8.261 -0.453 1.00 0.00 O ATOM 738 NE2 GLN A 48 -26.678 8.571 -2.586 1.00 0.00 N ATOM 0 H GLN A 48 -23.813 6.996 0.663 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.361 6.439 -1.544 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.022 8.331 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.011 8.309 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.953 8.866 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.888 10.010 -1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.920 8.831 -3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.591 8.319 -2.964 1.00 0.00 H new ATOM 747 N ILE A 49 -22.174 5.762 -2.086 1.00 0.00 N ATOM 748 CA ILE A 49 -21.270 4.987 -2.919 1.00 0.00 C ATOM 749 C ILE A 49 -21.768 3.543 -2.998 1.00 0.00 C ATOM 750 O ILE A 49 -22.162 3.075 -4.065 1.00 0.00 O ATOM 751 CB ILE A 49 -19.832 5.116 -2.413 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.311 6.542 -2.599 1.00 0.00 C ATOM 753 CG2 ILE A 49 -18.922 4.082 -3.079 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.393 6.945 -1.442 1.00 0.00 C ATOM 0 H ILE A 49 -21.718 6.306 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.261 5.377 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.827 4.908 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.768 6.615 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.150 7.235 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.906 4.195 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.284 3.079 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -18.928 4.234 -4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.036 7.963 -1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.946 6.894 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.542 6.265 -1.399 1.00 0.00 H new ATOM 766 N GLU A 50 -21.733 2.876 -1.853 1.00 0.00 N ATOM 767 CA GLU A 50 -22.176 1.494 -1.779 1.00 0.00 C ATOM 768 C GLU A 50 -23.433 1.293 -2.628 1.00 0.00 C ATOM 769 O GLU A 50 -23.489 0.383 -3.455 1.00 0.00 O ATOM 770 CB GLU A 50 -22.422 1.074 -0.328 1.00 0.00 C ATOM 771 CG GLU A 50 -21.282 0.194 0.189 1.00 0.00 C ATOM 772 CD GLU A 50 -21.798 -1.186 0.601 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.667 -1.709 -0.130 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.313 -1.686 1.639 1.00 0.00 O ATOM 0 H GLU A 50 -21.405 3.267 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.386 0.858 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.516 1.960 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.365 0.532 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.522 0.086 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.803 0.676 1.041 1.00 0.00 H new ATOM 781 N CYS A 51 -24.410 2.156 -2.395 1.00 0.00 N ATOM 782 CA CYS A 51 -25.663 2.085 -3.129 1.00 0.00 C ATOM 783 C CYS A 51 -25.362 2.297 -4.614 1.00 0.00 C ATOM 784 O CYS A 51 -25.787 1.507 -5.456 1.00 0.00 O ATOM 785 CB CYS A 51 -26.684 3.095 -2.603 1.00 0.00 C ATOM 786 SG CYS A 51 -28.327 2.764 -3.339 1.00 0.00 S ATOM 0 H CYS A 51 -24.360 2.909 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.116 1.104 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.744 3.032 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.364 4.108 -2.847 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.188 3.626 -2.884 1.00 0.00 H new ATOM 792 N ASP A 52 -24.633 3.368 -4.890 1.00 0.00 N ATOM 793 CA ASP A 52 -24.271 3.693 -6.259 1.00 0.00 C ATOM 794 C ASP A 52 -23.914 2.408 -7.008 1.00 0.00 C ATOM 795 O ASP A 52 -24.540 2.076 -8.013 1.00 0.00 O ATOM 796 CB ASP A 52 -23.053 4.618 -6.302 1.00 0.00 C ATOM 797 CG ASP A 52 -23.182 5.815 -7.246 1.00 0.00 C ATOM 798 OD1 ASP A 52 -23.077 5.587 -8.470 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.384 6.932 -6.722 1.00 0.00 O ATOM 0 H ASP A 52 -24.283 4.022 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.122 4.194 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.861 4.988 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.182 4.033 -6.598 1.00 0.00 H new ATOM 804 N SER A 53 -22.909 1.718 -6.488 1.00 0.00 N ATOM 805 CA SER A 53 -22.462 0.476 -7.095 1.00 0.00 C ATOM 806 C SER A 53 -22.175 -0.564 -6.009 1.00 0.00 C ATOM 807 O SER A 53 -21.687 -0.224 -4.933 1.00 0.00 O ATOM 808 CB SER A 53 -21.217 0.700 -7.956 1.00 0.00 C ATOM 809 OG SER A 53 -21.515 1.424 -9.147 1.00 0.00 O ATOM 0 H SER A 53 -22.392 1.996 -5.654 1.00 0.00 H new ATOM 0 HA SER A 53 -23.257 0.107 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.470 1.244 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.779 -0.263 -8.217 1.00 0.00 H new ATOM 0 HG SER A 53 -21.149 0.946 -9.921 1.00 0.00 H new ATOM 815 N GLU A 54 -22.492 -1.810 -6.329 1.00 0.00 N ATOM 816 CA GLU A 54 -22.275 -2.901 -5.394 1.00 0.00 C ATOM 817 C GLU A 54 -20.971 -3.630 -5.723 1.00 0.00 C ATOM 818 O GLU A 54 -20.792 -4.788 -5.350 1.00 0.00 O ATOM 819 CB GLU A 54 -23.460 -3.869 -5.397 1.00 0.00 C ATOM 820 CG GLU A 54 -24.559 -3.393 -4.445 1.00 0.00 C ATOM 821 CD GLU A 54 -25.932 -3.453 -5.119 1.00 0.00 C ATOM 822 OE1 GLU A 54 -26.507 -4.563 -5.138 1.00 0.00 O ATOM 823 OE2 GLU A 54 -26.375 -2.388 -5.599 1.00 0.00 O ATOM 0 H GLU A 54 -22.897 -2.088 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.192 -2.483 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.861 -3.955 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.123 -4.863 -5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.562 -4.013 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.351 -2.372 -4.125 1.00 0.00 H new ATOM 830 N ASP A 55 -20.093 -2.921 -6.417 1.00 0.00 N ATOM 831 CA ASP A 55 -18.810 -3.486 -6.800 1.00 0.00 C ATOM 832 C ASP A 55 -17.699 -2.811 -5.993 1.00 0.00 C ATOM 833 O ASP A 55 -17.439 -1.621 -6.163 1.00 0.00 O ATOM 834 CB ASP A 55 -18.526 -3.251 -8.285 1.00 0.00 C ATOM 835 CG ASP A 55 -19.163 -4.267 -9.234 1.00 0.00 C ATOM 836 OD1 ASP A 55 -20.366 -4.549 -9.040 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.434 -4.740 -10.133 1.00 0.00 O ATOM 0 H ASP A 55 -20.245 -1.960 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.841 -4.558 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.878 -2.255 -8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.447 -3.260 -8.439 1.00 0.00 H new ATOM 842 N MET A 56 -17.074 -3.600 -5.132 1.00 0.00 N ATOM 843 CA MET A 56 -15.997 -3.093 -4.299 1.00 0.00 C ATOM 844 C MET A 56 -15.129 -2.097 -5.070 1.00 0.00 C ATOM 845 O MET A 56 -14.933 -0.966 -4.626 1.00 0.00 O ATOM 846 CB MET A 56 -15.131 -4.260 -3.818 1.00 0.00 C ATOM 847 CG MET A 56 -14.995 -4.251 -2.294 1.00 0.00 C ATOM 848 SD MET A 56 -16.583 -4.553 -1.538 1.00 0.00 S ATOM 849 CE MET A 56 -16.092 -5.643 -0.212 1.00 0.00 C ATOM 0 H MET A 56 -17.293 -4.587 -4.993 1.00 0.00 H new ATOM 0 HA MET A 56 -16.436 -2.578 -3.445 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.573 -5.203 -4.142 1.00 0.00 H new ATOM 0 HB3 MET A 56 -14.143 -4.197 -4.275 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.282 -5.014 -1.980 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.601 -3.291 -1.961 1.00 0.00 H new ATOM 0 HE1 MET A 56 -16.932 -6.280 0.065 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.259 -6.264 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 56 -15.785 -5.051 0.651 1.00 0.00 H new ATOM 859 N LYS A 57 -14.633 -2.552 -6.211 1.00 0.00 N ATOM 860 CA LYS A 57 -13.791 -1.714 -7.048 1.00 0.00 C ATOM 861 C LYS A 57 -14.456 -0.348 -7.227 1.00 0.00 C ATOM 862 O LYS A 57 -13.833 0.685 -6.987 1.00 0.00 O ATOM 863 CB LYS A 57 -13.473 -2.422 -8.366 1.00 0.00 C ATOM 864 CG LYS A 57 -12.423 -3.516 -8.163 1.00 0.00 C ATOM 865 CD LYS A 57 -11.948 -4.076 -9.505 1.00 0.00 C ATOM 866 CE LYS A 57 -11.715 -5.586 -9.417 1.00 0.00 C ATOM 867 NZ LYS A 57 -12.454 -6.288 -10.490 1.00 0.00 N ATOM 0 H LYS A 57 -14.798 -3.490 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.829 -1.539 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.383 -2.859 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.111 -1.696 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.573 -3.112 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.842 -4.320 -7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.689 -3.863 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.025 -3.579 -9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.650 -5.801 -9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.039 -5.954 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.285 -7.311 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.472 -6.097 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.125 -5.949 -11.417 1.00 0.00 H new ATOM 881 N MET A 58 -15.711 -0.387 -7.648 1.00 0.00 N ATOM 882 CA MET A 58 -16.467 0.835 -7.863 1.00 0.00 C ATOM 883 C MET A 58 -16.552 1.660 -6.577 1.00 0.00 C ATOM 884 O MET A 58 -16.309 2.866 -6.592 1.00 0.00 O ATOM 885 CB MET A 58 -17.878 0.486 -8.339 1.00 0.00 C ATOM 886 CG MET A 58 -17.888 0.165 -9.836 1.00 0.00 C ATOM 887 SD MET A 58 -18.641 1.506 -10.742 1.00 0.00 S ATOM 888 CE MET A 58 -17.299 2.683 -10.726 1.00 0.00 C ATOM 0 H MET A 58 -16.224 -1.246 -7.846 1.00 0.00 H new ATOM 0 HA MET A 58 -15.955 1.428 -8.621 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.254 -0.369 -7.777 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.550 1.320 -8.138 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.869 0.004 -10.189 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.437 -0.759 -10.015 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.515 3.491 -11.425 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.186 3.092 -9.722 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.375 2.185 -11.021 1.00 0.00 H new ATOM 898 N ARG A 59 -16.897 0.977 -5.495 1.00 0.00 N ATOM 899 CA ARG A 59 -17.017 1.631 -4.204 1.00 0.00 C ATOM 900 C ARG A 59 -15.755 2.442 -3.900 1.00 0.00 C ATOM 901 O ARG A 59 -15.839 3.610 -3.525 1.00 0.00 O ATOM 902 CB ARG A 59 -17.240 0.610 -3.087 1.00 0.00 C ATOM 903 CG ARG A 59 -18.514 -0.201 -3.332 1.00 0.00 C ATOM 904 CD ARG A 59 -18.749 -1.208 -2.204 1.00 0.00 C ATOM 905 NE ARG A 59 -20.097 -1.805 -2.331 1.00 0.00 N ATOM 906 CZ ARG A 59 -20.520 -2.862 -1.624 1.00 0.00 C ATOM 907 NH1 ARG A 59 -19.703 -3.444 -0.736 1.00 0.00 N ATOM 908 NH2 ARG A 59 -21.760 -3.337 -1.806 1.00 0.00 N ATOM 0 H ARG A 59 -17.097 -0.023 -5.487 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.879 2.297 -4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.383 -0.061 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.310 1.124 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.368 0.472 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.437 -0.727 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.991 -1.990 -2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.651 -0.713 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.745 -1.386 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.759 -3.083 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.025 -4.248 -0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.382 -2.894 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -22.082 -4.141 -1.268 1.00 0.00 H new ATOM 922 N ALA A 60 -14.615 1.788 -4.073 1.00 0.00 N ATOM 923 CA ALA A 60 -13.338 2.433 -3.822 1.00 0.00 C ATOM 924 C ALA A 60 -13.185 3.634 -4.758 1.00 0.00 C ATOM 925 O ALA A 60 -12.999 4.761 -4.302 1.00 0.00 O ATOM 926 CB ALA A 60 -12.209 1.414 -3.991 1.00 0.00 C ATOM 0 H ALA A 60 -14.550 0.819 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.291 2.805 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.251 1.898 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.348 0.596 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.223 1.021 -5.007 1.00 0.00 H new ATOM 932 N LYS A 61 -13.269 3.351 -6.050 1.00 0.00 N ATOM 933 CA LYS A 61 -13.142 4.393 -7.054 1.00 0.00 C ATOM 934 C LYS A 61 -14.058 5.562 -6.688 1.00 0.00 C ATOM 935 O LYS A 61 -13.585 6.664 -6.415 1.00 0.00 O ATOM 936 CB LYS A 61 -13.398 3.825 -8.451 1.00 0.00 C ATOM 937 CG LYS A 61 -12.779 4.718 -9.528 1.00 0.00 C ATOM 938 CD LYS A 61 -13.590 4.657 -10.824 1.00 0.00 C ATOM 939 CE LYS A 61 -12.825 5.302 -11.981 1.00 0.00 C ATOM 940 NZ LYS A 61 -12.840 4.419 -13.169 1.00 0.00 N ATOM 0 H LYS A 61 -13.423 2.415 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.123 4.780 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.980 2.821 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.471 3.736 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.734 5.747 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.754 4.403 -9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.816 3.619 -11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.543 5.167 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.273 6.264 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.796 5.499 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.316 4.872 -13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.391 3.511 -12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.823 4.253 -13.466 1.00 0.00 H new ATOM 954 N GLN A 62 -15.353 5.282 -6.694 1.00 0.00 N ATOM 955 CA GLN A 62 -16.340 6.297 -6.366 1.00 0.00 C ATOM 956 C GLN A 62 -15.849 7.157 -5.200 1.00 0.00 C ATOM 957 O GLN A 62 -15.975 8.381 -5.231 1.00 0.00 O ATOM 958 CB GLN A 62 -17.694 5.661 -6.046 1.00 0.00 C ATOM 959 CG GLN A 62 -18.410 5.222 -7.325 1.00 0.00 C ATOM 960 CD GLN A 62 -19.060 6.416 -8.027 1.00 0.00 C ATOM 961 OE1 GLN A 62 -20.316 6.645 -7.653 1.00 0.00 O flip ATOM 962 NE2 GLN A 62 -18.461 7.085 -8.853 1.00 0.00 N flip ATOM 0 H GLN A 62 -15.742 4.367 -6.921 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.474 6.941 -7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.550 4.801 -5.392 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.315 6.374 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.699 4.743 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.170 4.479 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -17.497 6.854 -9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -18.924 7.875 -9.302 1.00 0.00 H new ATOM 971 N LEU A 63 -15.300 6.485 -4.200 1.00 0.00 N ATOM 972 CA LEU A 63 -14.789 7.173 -3.026 1.00 0.00 C ATOM 973 C LEU A 63 -13.616 8.066 -3.434 1.00 0.00 C ATOM 974 O LEU A 63 -13.608 9.260 -3.136 1.00 0.00 O ATOM 975 CB LEU A 63 -14.443 6.169 -1.925 1.00 0.00 C ATOM 976 CG LEU A 63 -13.633 6.717 -0.748 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.459 7.711 0.070 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.084 5.580 0.116 1.00 0.00 C ATOM 0 H LEU A 63 -15.197 5.470 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.554 7.824 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.372 5.750 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.885 5.347 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.777 7.261 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.860 8.085 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.759 8.544 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.347 7.213 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.512 5.997 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.911 4.988 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.436 4.944 -0.488 1.00 0.00 H new ATOM 990 N LEU A 64 -12.655 7.455 -4.110 1.00 0.00 N ATOM 991 CA LEU A 64 -11.480 8.180 -4.562 1.00 0.00 C ATOM 992 C LEU A 64 -11.920 9.394 -5.384 1.00 0.00 C ATOM 993 O LEU A 64 -11.341 10.472 -5.264 1.00 0.00 O ATOM 994 CB LEU A 64 -10.527 7.245 -5.309 1.00 0.00 C ATOM 995 CG LEU A 64 -9.665 6.330 -4.437 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.997 6.513 -2.955 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.795 4.871 -4.877 1.00 0.00 C ATOM 0 H LEU A 64 -12.666 6.465 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.915 8.558 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.115 6.623 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.866 7.851 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.621 6.615 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.370 5.851 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.812 7.547 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.046 6.271 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.172 4.242 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.835 4.556 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.470 4.773 -5.913 1.00 0.00 H new ATOM 1009 N VAL A 65 -12.941 9.177 -6.200 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.466 10.239 -7.041 1.00 0.00 C ATOM 1011 C VAL A 65 -14.076 11.329 -6.158 1.00 0.00 C ATOM 1012 O VAL A 65 -13.654 12.483 -6.208 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.458 9.664 -8.054 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -14.967 10.751 -9.002 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -13.836 8.503 -8.833 1.00 0.00 C ATOM 0 H VAL A 65 -13.419 8.281 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.664 10.700 -7.618 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.313 9.276 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.670 10.315 -9.711 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.468 11.530 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.126 11.184 -9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.562 8.113 -9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.955 8.855 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.548 7.713 -8.140 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.061 10.924 -5.369 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.734 11.851 -4.476 1.00 0.00 C ATOM 1027 C ALA A 66 -14.705 12.492 -3.543 1.00 0.00 C ATOM 1028 O ALA A 66 -14.862 13.642 -3.136 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.836 11.115 -3.712 1.00 0.00 C ATOM 0 H ALA A 66 -15.409 9.966 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.209 12.652 -5.042 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.341 11.811 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.557 10.704 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.397 10.305 -3.130 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.675 11.719 -3.230 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.621 12.196 -2.352 1.00 0.00 C ATOM 1037 C TRP A 67 -11.716 13.127 -3.162 1.00 0.00 C ATOM 1038 O TRP A 67 -11.023 13.972 -2.597 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.863 11.028 -1.720 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.499 11.410 -1.142 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.233 11.964 0.049 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.216 11.244 -1.783 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.879 12.166 0.222 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.241 11.714 -0.927 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.891 10.714 -3.043 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.876 11.702 -1.239 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.522 10.708 -3.340 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.528 11.178 -2.490 1.00 0.00 C ATOM 0 H TRP A 67 -13.548 10.765 -3.569 1.00 0.00 H new ATOM 0 HA TRP A 67 -13.040 12.757 -1.517 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.475 10.598 -0.927 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.723 10.251 -2.471 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.984 12.220 0.781 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.429 12.572 1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.638 10.341 -3.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.132 12.077 -0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.218 10.310 -4.297 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.492 11.139 -2.793 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.753 12.942 -4.474 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.945 13.754 -5.367 1.00 0.00 C ATOM 1061 C GLN A 68 -11.717 15.006 -5.790 1.00 0.00 C ATOM 1062 O GLN A 68 -11.120 16.046 -6.061 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.497 12.948 -6.588 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.629 13.797 -7.518 1.00 0.00 C ATOM 1065 CD GLN A 68 -8.967 12.932 -8.593 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -8.109 12.036 -8.113 1.00 0.00 O flip ATOM 1067 NE2 GLN A 68 -9.220 13.068 -9.778 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.330 12.241 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.049 14.066 -4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.938 12.071 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.371 12.587 -7.130 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.240 14.566 -7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.863 14.311 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.890 13.776 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.762 12.473 -10.469 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.034 14.863 -5.834 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.894 15.969 -6.220 1.00 0.00 C ATOM 1078 C ASP A 69 -13.940 16.993 -5.084 1.00 0.00 C ATOM 1079 O ASP A 69 -13.877 18.197 -5.326 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.322 15.490 -6.483 1.00 0.00 C ATOM 1081 CG ASP A 69 -15.863 15.804 -7.880 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.044 16.230 -8.723 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.083 15.612 -8.073 1.00 0.00 O ATOM 0 H ASP A 69 -13.526 13.998 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.489 16.410 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.362 14.412 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.983 15.943 -5.744 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.050 16.477 -3.869 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.106 17.331 -2.695 1.00 0.00 C ATOM 1090 C GLN A 70 -12.765 18.038 -2.488 1.00 0.00 C ATOM 1091 O GLN A 70 -12.725 19.240 -2.233 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.502 16.531 -1.453 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.341 15.657 -0.971 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.770 14.774 0.203 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -13.002 14.896 1.281 1.00 0.00 O flip ATOM 1096 NE2 GLN A 70 -14.736 14.031 0.133 1.00 0.00 N flip ATOM 0 H GLN A 70 -14.102 15.478 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.872 18.089 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -14.803 17.213 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.364 15.904 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.987 15.032 -1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.506 16.289 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.283 13.986 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.996 13.455 0.934 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.699 17.260 -2.606 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.359 17.796 -2.436 1.00 0.00 C ATOM 1107 C GLU A 71 -9.965 18.637 -3.652 1.00 0.00 C ATOM 1108 O GLU A 71 -8.920 19.285 -3.650 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.347 16.675 -2.193 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.470 16.123 -0.771 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.784 17.046 0.237 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.575 17.298 0.045 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.485 17.480 1.178 1.00 0.00 O ATOM 0 H GLU A 71 -11.736 16.263 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.355 18.441 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.508 15.873 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.337 17.051 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.522 16.012 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.023 15.130 -0.723 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.822 18.598 -4.661 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.577 19.349 -5.881 1.00 0.00 C ATOM 1122 C GLY A 72 -9.268 18.910 -6.540 1.00 0.00 C ATOM 1123 O GLY A 72 -9.165 17.790 -7.038 1.00 0.00 O ATOM 0 H GLY A 72 -11.687 18.058 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.405 19.203 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.535 20.414 -5.655 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.301 19.815 -6.522 1.00 0.00 N ATOM 1128 CA VAL A 73 -7.003 19.535 -7.112 1.00 0.00 C ATOM 1129 C VAL A 73 -5.976 19.320 -5.998 1.00 0.00 C ATOM 1130 O VAL A 73 -4.801 19.645 -6.161 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.613 20.658 -8.076 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -6.176 21.909 -7.311 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.521 20.197 -9.043 1.00 0.00 C ATOM 0 H VAL A 73 -8.390 20.743 -6.108 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.041 18.618 -7.700 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.494 20.915 -8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.904 22.692 -8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.996 22.257 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.316 21.671 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.263 21.014 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.637 19.899 -8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.884 19.349 -9.624 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.458 18.774 -4.891 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.597 18.512 -3.751 1.00 0.00 C ATOM 1145 C HIS A 74 -5.446 17.002 -3.558 1.00 0.00 C ATOM 1146 O HIS A 74 -4.484 16.544 -2.943 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.121 19.220 -2.500 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.735 20.573 -2.772 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -7.836 21.049 -2.082 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.389 21.545 -3.663 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -8.131 22.254 -2.546 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -7.234 22.560 -3.527 1.00 0.00 N ATOM 0 H HIS A 74 -7.433 18.506 -4.760 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.604 18.920 -3.940 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.865 18.584 -2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.301 19.340 -1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.567 21.497 -4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -8.940 22.884 -2.207 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.215 23.425 -4.067 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.412 16.270 -4.094 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.399 14.821 -3.988 1.00 0.00 C ATOM 1162 C ALA A 75 -5.036 14.293 -4.440 1.00 0.00 C ATOM 1163 O ALA A 75 -4.819 14.060 -5.629 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.551 14.239 -4.810 1.00 0.00 C ATOM 0 H ALA A 75 -7.209 16.653 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.546 14.510 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.542 13.152 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.498 14.622 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.435 14.528 -5.855 1.00 0.00 H new ATOM 1170 N THR A 76 -4.152 14.120 -3.469 1.00 0.00 N ATOM 1171 CA THR A 76 -2.816 13.624 -3.752 1.00 0.00 C ATOM 1172 C THR A 76 -2.619 12.239 -3.133 1.00 0.00 C ATOM 1173 O THR A 76 -3.385 11.829 -2.262 1.00 0.00 O ATOM 1174 CB THR A 76 -1.810 14.662 -3.250 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.340 15.081 -1.995 1.00 0.00 O ATOM 1176 CG2 THR A 76 -1.810 15.935 -4.098 1.00 0.00 C ATOM 0 H THR A 76 -4.335 14.315 -2.485 1.00 0.00 H new ATOM 0 HA THR A 76 -2.662 13.492 -4.823 1.00 0.00 H new ATOM 0 HB THR A 76 -0.811 14.227 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.045 15.746 -2.143 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.079 16.638 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.550 15.687 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.801 16.389 -4.073 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.561 11.537 -3.620 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.253 10.206 -3.124 1.00 0.00 C ATOM 1186 C PRO A 77 -0.615 10.272 -1.735 1.00 0.00 C ATOM 1187 O PRO A 77 -0.762 9.349 -0.935 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.335 9.598 -4.172 1.00 0.00 C ATOM 1189 CG PRO A 77 0.210 10.767 -4.977 1.00 0.00 C ATOM 1190 CD PRO A 77 -0.632 11.990 -4.651 1.00 0.00 C ATOM 0 HA PRO A 77 -2.143 9.591 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.473 9.035 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.879 8.903 -4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.256 10.947 -4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.168 10.548 -6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.013 12.813 -4.293 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.163 12.351 -5.532 1.00 0.00 H new ATOM 1198 N GLU A 78 0.081 11.373 -1.491 1.00 0.00 N ATOM 1199 CA GLU A 78 0.743 11.572 -0.213 1.00 0.00 C ATOM 1200 C GLU A 78 -0.293 11.762 0.897 1.00 0.00 C ATOM 1201 O GLU A 78 -0.166 11.184 1.976 1.00 0.00 O ATOM 1202 CB GLU A 78 1.707 12.759 -0.273 1.00 0.00 C ATOM 1203 CG GLU A 78 2.872 12.569 0.701 1.00 0.00 C ATOM 1204 CD GLU A 78 2.911 13.695 1.735 1.00 0.00 C ATOM 1205 OE1 GLU A 78 2.243 13.531 2.779 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.609 14.695 1.459 1.00 0.00 O ATOM 0 H GLU A 78 0.201 12.136 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 78 1.330 10.682 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.091 12.870 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.173 13.678 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.774 11.609 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.812 12.544 0.149 1.00 0.00 H new ATOM 1213 N ASN A 79 -1.294 12.575 0.595 1.00 0.00 N ATOM 1214 CA ASN A 79 -2.351 12.848 1.554 1.00 0.00 C ATOM 1215 C ASN A 79 -3.142 11.565 1.814 1.00 0.00 C ATOM 1216 O ASN A 79 -3.723 11.396 2.886 1.00 0.00 O ATOM 1217 CB ASN A 79 -3.323 13.902 1.017 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.704 15.300 1.077 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.715 15.540 1.749 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.339 16.205 0.338 1.00 0.00 N ATOM 0 H ASN A 79 -1.396 13.054 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.889 13.216 2.470 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.592 13.663 -0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.244 13.883 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.003 17.168 0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.162 15.936 -0.201 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.140 10.693 0.817 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.851 9.430 0.925 1.00 0.00 C ATOM 1229 C LEU A 80 -2.949 8.400 1.607 1.00 0.00 C ATOM 1230 O LEU A 80 -3.319 7.827 2.631 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.364 8.986 -0.446 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.582 8.059 -0.438 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.747 8.691 0.325 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -5.977 7.660 -1.861 1.00 0.00 C ATOM 0 H LEU A 80 -2.657 10.836 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.737 9.543 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.613 9.876 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.552 8.482 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.311 7.144 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.599 8.012 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.446 8.882 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.027 9.631 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.845 7.001 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.222 8.554 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.146 7.140 -2.337 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.783 8.195 1.013 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.825 7.244 1.551 1.00 0.00 C ATOM 1248 C ILE A 81 -0.708 7.444 3.063 1.00 0.00 C ATOM 1249 O ILE A 81 -0.568 6.479 3.812 1.00 0.00 O ATOM 1250 CB ILE A 81 0.510 7.351 0.811 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.359 6.938 -0.655 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.598 6.546 1.524 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.374 7.668 -1.537 1.00 0.00 C ATOM 0 H ILE A 81 -1.480 8.671 0.164 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.171 6.223 1.390 1.00 0.00 H new ATOM 0 HB ILE A 81 0.823 8.395 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.498 5.861 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.652 7.160 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.537 6.639 0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.728 6.928 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.305 5.497 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.246 7.357 -2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.217 8.744 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.384 7.424 -1.208 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.770 8.705 3.467 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.673 9.044 4.877 1.00 0.00 C ATOM 1267 C ASN A 82 -1.863 8.442 5.625 1.00 0.00 C ATOM 1268 O ASN A 82 -1.688 7.783 6.649 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.704 10.560 5.081 1.00 0.00 C ATOM 1270 CG ASN A 82 0.369 11.000 6.080 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.453 11.427 5.718 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.007 10.874 7.353 1.00 0.00 N ATOM 0 H ASN A 82 -0.886 9.503 2.843 1.00 0.00 H new ATOM 0 HA ASN A 82 0.269 8.648 5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.546 11.062 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.687 10.862 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.653 11.142 8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.916 10.509 7.587 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.048 8.689 5.085 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.267 8.179 5.689 1.00 0.00 C ATOM 1281 C ALA A 83 -4.219 6.650 5.711 1.00 0.00 C ATOM 1282 O ALA A 83 -4.531 6.030 6.726 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.479 8.714 4.924 1.00 0.00 C ATOM 0 H ALA A 83 -3.189 9.236 4.236 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.356 8.521 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.393 8.331 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.483 9.803 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.426 8.389 3.885 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.826 6.086 4.578 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.734 4.641 4.454 1.00 0.00 C ATOM 1291 C LEU A 84 -2.924 4.084 5.626 1.00 0.00 C ATOM 1292 O LEU A 84 -3.339 3.121 6.270 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.176 4.256 3.082 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.055 4.602 1.879 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.219 4.713 0.603 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.200 3.598 1.729 1.00 0.00 C ATOM 0 H LEU A 84 -3.568 6.604 3.738 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.725 4.190 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.211 4.746 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.992 3.182 3.075 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.505 5.579 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.868 4.960 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.471 5.496 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.722 3.763 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.809 3.867 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.791 2.598 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.817 3.613 2.628 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.783 4.712 5.868 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.911 4.291 6.951 1.00 0.00 C ATOM 1310 C ASN A 85 -1.729 4.166 8.238 1.00 0.00 C ATOM 1311 O ASN A 85 -1.901 3.068 8.764 1.00 0.00 O ATOM 1312 CB ASN A 85 0.200 5.315 7.194 1.00 0.00 C ATOM 1313 CG ASN A 85 1.574 4.716 6.885 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.137 3.959 7.658 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.079 5.097 5.716 1.00 0.00 N ATOM 0 H ASN A 85 -1.442 5.510 5.332 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.466 3.336 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.033 6.193 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.170 5.650 8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.992 4.753 5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.554 5.734 5.117 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.210 5.307 8.709 1.00 0.00 N ATOM 1323 CA LYS A 86 -3.005 5.340 9.924 1.00 0.00 C ATOM 1324 C LYS A 86 -4.136 4.314 9.817 1.00 0.00 C ATOM 1325 O LYS A 86 -4.398 3.573 10.763 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.491 6.762 10.210 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.235 7.339 9.004 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.766 8.742 9.307 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.804 8.704 10.431 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.388 9.579 11.550 1.00 0.00 N ATOM 0 H LYS A 86 -2.064 6.216 8.270 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.397 5.057 10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.148 6.758 11.080 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.641 7.398 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.566 7.377 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.063 6.683 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.940 9.394 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.213 9.168 8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.773 9.026 10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.926 7.681 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.103 9.542 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.474 9.254 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.295 10.557 11.210 1.00 0.00 H new ATOM 1344 N SER A 87 -4.774 4.304 8.656 1.00 0.00 N ATOM 1345 CA SER A 87 -5.870 3.381 8.413 1.00 0.00 C ATOM 1346 C SER A 87 -5.366 1.939 8.490 1.00 0.00 C ATOM 1347 O SER A 87 -6.161 1.005 8.593 1.00 0.00 O ATOM 1348 CB SER A 87 -6.520 3.644 7.053 1.00 0.00 C ATOM 1349 OG SER A 87 -6.393 2.528 6.176 1.00 0.00 O ATOM 0 H SER A 87 -4.553 4.920 7.873 1.00 0.00 H new ATOM 0 HA SER A 87 -6.626 3.537 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.576 3.876 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.060 4.520 6.595 1.00 0.00 H new ATOM 0 HG SER A 87 -5.445 2.361 5.994 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.050 1.801 8.438 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.431 0.488 8.501 1.00 0.00 C ATOM 1357 C GLY A 88 -3.422 -0.180 7.124 1.00 0.00 C ATOM 1358 O GLY A 88 -3.332 -1.403 7.025 1.00 0.00 O ATOM 0 H GLY A 88 -3.394 2.578 8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.410 0.581 8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.971 -0.139 9.210 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.516 0.651 6.097 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.520 0.156 4.731 1.00 0.00 C ATOM 1364 C LEU A 89 -2.107 0.256 4.153 1.00 0.00 C ATOM 1365 O LEU A 89 -1.935 0.578 2.979 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.578 0.885 3.900 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.951 0.215 3.825 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.203 -0.659 5.054 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.057 1.253 3.624 1.00 0.00 C ATOM 0 H LEU A 89 -3.590 1.665 6.183 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.800 -0.897 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.707 1.887 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.197 1.002 2.885 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.963 -0.442 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.186 -1.123 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.439 -1.434 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.164 -0.043 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.023 0.750 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.055 1.953 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.882 1.796 2.695 1.00 0.00 H new ATOM 1381 N SER A 90 -1.132 -0.026 5.005 1.00 0.00 N ATOM 1382 CA SER A 90 0.260 0.027 4.594 1.00 0.00 C ATOM 1383 C SER A 90 0.403 -0.490 3.161 1.00 0.00 C ATOM 1384 O SER A 90 1.116 0.101 2.352 1.00 0.00 O ATOM 1385 CB SER A 90 1.146 -0.783 5.541 1.00 0.00 C ATOM 1386 OG SER A 90 0.949 -2.186 5.387 1.00 0.00 O ATOM 0 H SER A 90 -1.279 -0.292 5.979 1.00 0.00 H new ATOM 0 HA SER A 90 0.588 1.066 4.633 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.192 -0.541 5.354 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.932 -0.498 6.571 1.00 0.00 H new ATOM 0 HG SER A 90 1.534 -2.669 6.008 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.287 -1.588 2.891 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.246 -2.192 1.570 1.00 0.00 C ATOM 1394 C ASP A 91 -0.441 -1.105 0.511 1.00 0.00 C ATOM 1395 O ASP A 91 0.451 -0.855 -0.299 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.364 -3.223 1.400 1.00 0.00 C ATOM 1397 CG ASP A 91 -0.933 -4.547 0.767 1.00 0.00 C ATOM 1398 OD1 ASP A 91 0.063 -4.516 0.012 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -1.608 -5.559 1.051 1.00 0.00 O ATOM 0 H ASP A 91 -0.878 -2.075 3.565 1.00 0.00 H new ATOM 0 HA ASP A 91 0.719 -2.685 1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.798 -3.430 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.152 -2.784 0.788 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.612 -0.487 0.551 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.935 0.567 -0.395 1.00 0.00 C ATOM 1406 C LEU A 92 -0.774 1.562 -0.459 1.00 0.00 C ATOM 1407 O LEU A 92 -0.137 1.710 -1.501 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.278 1.211 -0.042 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.501 0.658 -0.776 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.832 1.506 -2.005 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.305 -0.817 -1.133 1.00 0.00 C ATOM 0 H LEU A 92 -2.349 -0.696 1.224 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.059 0.155 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.441 1.099 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.210 2.280 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.358 0.716 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.705 1.091 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.044 2.529 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.983 1.503 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.189 -1.186 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.433 -0.922 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.154 -1.395 -0.221 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.535 2.217 0.667 1.00 0.00 N ATOM 1424 CA ALA A 93 0.538 3.193 0.751 1.00 0.00 C ATOM 1425 C ALA A 93 1.753 2.677 -0.023 1.00 0.00 C ATOM 1426 O ALA A 93 2.182 3.297 -0.995 1.00 0.00 O ATOM 1427 CB ALA A 93 0.860 3.472 2.221 1.00 0.00 C ATOM 0 H ALA A 93 -1.066 2.091 1.529 1.00 0.00 H new ATOM 0 HA ALA A 93 0.234 4.137 0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.665 4.204 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.027 3.863 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.171 2.547 2.707 1.00 0.00 H new ATOM 1433 N GLU A 94 2.272 1.548 0.436 1.00 0.00 N ATOM 1434 CA GLU A 94 3.429 0.943 -0.201 1.00 0.00 C ATOM 1435 C GLU A 94 3.176 0.764 -1.700 1.00 0.00 C ATOM 1436 O GLU A 94 4.095 0.892 -2.507 1.00 0.00 O ATOM 1437 CB GLU A 94 3.782 -0.392 0.458 1.00 0.00 C ATOM 1438 CG GLU A 94 4.885 -0.213 1.503 1.00 0.00 C ATOM 1439 CD GLU A 94 6.169 -0.925 1.072 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.271 -2.136 1.365 1.00 0.00 O ATOM 1441 OE2 GLU A 94 7.019 -0.243 0.460 1.00 0.00 O ATOM 0 H GLU A 94 1.912 1.036 1.242 1.00 0.00 H new ATOM 0 HA GLU A 94 4.281 1.611 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.895 -0.815 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.108 -1.102 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.085 0.849 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.550 -0.608 2.462 1.00 0.00 H new ATOM 1448 N SER A 95 1.926 0.471 -2.026 1.00 0.00 N ATOM 1449 CA SER A 95 1.541 0.274 -3.413 1.00 0.00 C ATOM 1450 C SER A 95 1.755 1.566 -4.204 1.00 0.00 C ATOM 1451 O SER A 95 2.388 1.555 -5.259 1.00 0.00 O ATOM 1452 CB SER A 95 0.083 -0.179 -3.521 1.00 0.00 C ATOM 1453 OG SER A 95 -0.235 -1.185 -2.563 1.00 0.00 O ATOM 0 H SER A 95 1.167 0.365 -1.353 1.00 0.00 H new ATOM 0 HA SER A 95 2.169 -0.511 -3.834 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.575 0.678 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.105 -0.561 -4.524 1.00 0.00 H new ATOM 0 HG SER A 95 0.396 -1.135 -1.815 1.00 0.00 H new ATOM 1459 N LEU A 96 1.214 2.649 -3.665 1.00 0.00 N ATOM 1460 CA LEU A 96 1.338 3.946 -4.307 1.00 0.00 C ATOM 1461 C LEU A 96 2.815 4.344 -4.364 1.00 0.00 C ATOM 1462 O LEU A 96 3.251 4.993 -5.313 1.00 0.00 O ATOM 1463 CB LEU A 96 0.450 4.977 -3.608 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.059 4.748 -3.719 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.487 4.619 -5.182 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.492 3.541 -2.886 1.00 0.00 C ATOM 0 H LEU A 96 0.689 2.654 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 96 0.981 3.897 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.717 5.000 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.679 5.961 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.569 5.620 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.564 4.457 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.232 5.533 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.971 3.775 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.569 3.400 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.976 2.649 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.241 3.712 -1.839 1.00 0.00 H new ATOM 1478 N THR A 97 3.544 3.938 -3.334 1.00 0.00 N ATOM 1479 CA THR A 97 4.962 4.243 -3.255 1.00 0.00 C ATOM 1480 C THR A 97 5.788 3.097 -3.840 1.00 0.00 C ATOM 1481 O THR A 97 6.636 2.526 -3.157 1.00 0.00 O ATOM 1482 CB THR A 97 5.298 4.550 -1.794 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.557 3.582 -1.056 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.724 5.891 -1.330 1.00 0.00 C ATOM 0 H THR A 97 3.179 3.401 -2.548 1.00 0.00 H new ATOM 0 HA THR A 97 5.212 5.119 -3.853 1.00 0.00 H new ATOM 0 HB THR A 97 6.380 4.554 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.657 3.926 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.991 6.060 -0.287 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.133 6.694 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.639 5.876 -1.428 1.00 0.00 H new ATOM 1492 N ASN A 98 5.512 2.794 -5.100 1.00 0.00 N ATOM 1493 CA ASN A 98 6.219 1.726 -5.786 1.00 0.00 C ATOM 1494 C ASN A 98 5.923 1.804 -7.285 1.00 0.00 C ATOM 1495 O ASN A 98 6.839 1.930 -8.096 1.00 0.00 O ATOM 1496 CB ASN A 98 5.764 0.354 -5.285 1.00 0.00 C ATOM 1497 CG ASN A 98 6.824 -0.280 -4.383 1.00 0.00 C ATOM 1498 OD1 ASN A 98 8.011 -0.023 -4.501 1.00 0.00 O ATOM 1499 ND2 ASN A 98 6.332 -1.121 -3.477 1.00 0.00 N ATOM 0 H ASN A 98 4.808 3.270 -5.664 1.00 0.00 H new ATOM 0 HA ASN A 98 7.284 1.847 -5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.828 0.456 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.566 -0.300 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.959 -1.595 -2.827 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.327 -1.292 -3.432 1.00 0.00 H new ATOM 1506 N ASP A 99 4.640 1.726 -7.607 1.00 0.00 N ATOM 1507 CA ASP A 99 4.212 1.786 -8.994 1.00 0.00 C ATOM 1508 C ASP A 99 4.827 0.616 -9.765 1.00 0.00 C ATOM 1509 O ASP A 99 5.926 0.166 -9.444 1.00 0.00 O ATOM 1510 CB ASP A 99 4.675 3.084 -9.658 1.00 0.00 C ATOM 1511 CG ASP A 99 3.613 4.183 -9.741 1.00 0.00 C ATOM 1512 OD1 ASP A 99 3.423 4.867 -8.712 1.00 0.00 O ATOM 1513 OD2 ASP A 99 3.016 4.314 -10.831 1.00 0.00 O ATOM 0 H ASP A 99 3.883 1.622 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 99 3.123 1.740 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.533 3.470 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.019 2.856 -10.667 1.00 0.00 H new ATOM 1518 N ASN A 100 4.091 0.157 -10.766 1.00 0.00 N ATOM 1519 CA ASN A 100 4.551 -0.952 -11.585 1.00 0.00 C ATOM 1520 C ASN A 100 6.033 -0.760 -11.911 1.00 0.00 C ATOM 1521 O ASN A 100 6.434 0.299 -12.391 1.00 0.00 O ATOM 1522 CB ASN A 100 3.781 -1.018 -12.905 1.00 0.00 C ATOM 1523 CG ASN A 100 3.935 0.283 -13.696 1.00 0.00 C ATOM 1524 OD1 ASN A 100 4.884 0.481 -14.436 1.00 0.00 O ATOM 1525 ND2 ASN A 100 2.951 1.156 -13.498 1.00 0.00 N ATOM 0 H ASN A 100 3.180 0.532 -11.029 1.00 0.00 H new ATOM 0 HA ASN A 100 4.389 -1.874 -11.026 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.145 -1.855 -13.501 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.726 -1.204 -12.706 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.962 2.055 -13.980 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.185 0.926 -12.864 1.00 0.00 H new ATOM 1532 N GLU A 101 6.806 -1.801 -11.638 1.00 0.00 N ATOM 1533 CA GLU A 101 8.235 -1.760 -11.897 1.00 0.00 C ATOM 1534 C GLU A 101 8.547 -2.388 -13.257 1.00 0.00 C ATOM 1535 O GLU A 101 8.377 -3.592 -13.442 1.00 0.00 O ATOM 1536 CB GLU A 101 9.015 -2.456 -10.780 1.00 0.00 C ATOM 1537 CG GLU A 101 9.679 -1.434 -9.855 1.00 0.00 C ATOM 1538 CD GLU A 101 10.218 -2.107 -8.591 1.00 0.00 C ATOM 1539 OE1 GLU A 101 9.438 -2.194 -7.618 1.00 0.00 O ATOM 1540 OE2 GLU A 101 11.397 -2.520 -8.626 1.00 0.00 O ATOM 0 H GLU A 101 6.470 -2.678 -11.240 1.00 0.00 H new ATOM 0 HA GLU A 101 8.550 -0.717 -11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.342 -3.091 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.774 -3.107 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.493 -0.937 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.958 -0.663 -9.582 1.00 0.00 H new ATOM 1547 N THR A 102 8.997 -1.543 -14.173 1.00 0.00 N ATOM 1548 CA THR A 102 9.334 -2.000 -15.511 1.00 0.00 C ATOM 1549 C THR A 102 10.822 -2.347 -15.597 1.00 0.00 C ATOM 1550 O THR A 102 11.564 -2.157 -14.634 1.00 0.00 O ATOM 1551 CB THR A 102 8.904 -0.918 -16.503 1.00 0.00 C ATOM 1552 OG1 THR A 102 9.420 0.288 -15.945 1.00 0.00 O ATOM 1553 CG2 THR A 102 7.389 -0.705 -16.516 1.00 0.00 C ATOM 0 H THR A 102 9.136 -0.545 -14.015 1.00 0.00 H new ATOM 0 HA THR A 102 8.803 -2.919 -15.760 1.00 0.00 H new ATOM 0 HB THR A 102 9.241 -1.188 -17.504 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.188 1.043 -16.526 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.137 0.073 -17.237 1.00 0.00 H new ATOM 0 HG22 THR A 102 6.893 -1.634 -16.797 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.056 -0.402 -15.523 1.00 0.00 H new ATOM 1561 N ASN A 103 11.213 -2.850 -16.759 1.00 0.00 N ATOM 1562 CA ASN A 103 12.599 -3.225 -16.983 1.00 0.00 C ATOM 1563 C ASN A 103 12.836 -3.410 -18.483 1.00 0.00 C ATOM 1564 O ASN A 103 11.921 -3.776 -19.219 1.00 0.00 O ATOM 1565 CB ASN A 103 12.932 -4.545 -16.285 1.00 0.00 C ATOM 1566 CG ASN A 103 12.279 -5.726 -17.005 1.00 0.00 C ATOM 1567 OD1 ASN A 103 11.268 -5.595 -17.676 1.00 0.00 O ATOM 1568 ND2 ASN A 103 12.911 -6.883 -16.830 1.00 0.00 N ATOM 0 H ASN A 103 10.595 -3.007 -17.555 1.00 0.00 H new ATOM 0 HA ASN A 103 13.232 -2.435 -16.580 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.013 -4.684 -16.258 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.589 -4.510 -15.251 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.554 -7.731 -17.270 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.753 -6.922 -16.255 1.00 0.00 H new ATOM 1575 N SER A 104 14.069 -3.148 -18.891 1.00 0.00 N ATOM 1576 CA SER A 104 14.438 -3.281 -20.290 1.00 0.00 C ATOM 1577 C SER A 104 15.799 -3.970 -20.409 1.00 0.00 C ATOM 1578 O SER A 104 16.782 -3.516 -19.826 1.00 0.00 O ATOM 1579 CB SER A 104 14.471 -1.918 -20.984 1.00 0.00 C ATOM 1580 OG SER A 104 14.125 -2.012 -22.363 1.00 0.00 O ATOM 0 H SER A 104 14.825 -2.844 -18.277 1.00 0.00 H new ATOM 0 HA SER A 104 13.684 -3.892 -20.785 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.781 -1.239 -20.483 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.468 -1.487 -20.889 1.00 0.00 H new ATOM 0 HG SER A 104 14.156 -1.121 -22.770 1.00 0.00 H new ATOM 1586 N SER A 105 15.813 -5.056 -21.169 1.00 0.00 N ATOM 1587 CA SER A 105 17.037 -5.812 -21.372 1.00 0.00 C ATOM 1588 C SER A 105 17.274 -6.033 -22.867 1.00 0.00 C ATOM 1589 O SER A 105 16.362 -6.428 -23.592 1.00 0.00 O ATOM 1590 CB SER A 105 16.984 -7.154 -20.639 1.00 0.00 C ATOM 1591 OG SER A 105 17.057 -6.993 -19.225 1.00 0.00 O ATOM 0 H SER A 105 14.996 -5.430 -21.651 1.00 0.00 H new ATOM 0 HA SER A 105 17.866 -5.237 -20.960 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.061 -7.672 -20.898 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.808 -7.784 -20.975 1.00 0.00 H new ATOM 0 HG SER A 105 17.018 -7.872 -18.793 1.00 0.00 H new ATOM 1597 N GLY A 106 18.503 -5.768 -23.285 1.00 0.00 N ATOM 1598 CA GLY A 106 18.871 -5.933 -24.680 1.00 0.00 C ATOM 1599 C GLY A 106 19.704 -4.747 -25.172 1.00 0.00 C ATOM 1600 O GLY A 106 19.160 -3.687 -25.479 1.00 0.00 O ATOM 0 H GLY A 106 19.257 -5.440 -22.681 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.438 -6.856 -24.804 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.971 -6.027 -25.288 1.00 0.00 H new ATOM 1604 N PRO A 107 21.044 -4.971 -25.233 1.00 0.00 N ATOM 1605 CA PRO A 107 21.956 -3.934 -25.682 1.00 0.00 C ATOM 1606 C PRO A 107 21.882 -3.757 -27.200 1.00 0.00 C ATOM 1607 O PRO A 107 21.500 -4.680 -27.918 1.00 0.00 O ATOM 1608 CB PRO A 107 23.328 -4.382 -25.202 1.00 0.00 C ATOM 1609 CG PRO A 107 23.203 -5.869 -24.913 1.00 0.00 C ATOM 1610 CD PRO A 107 21.723 -6.214 -24.877 1.00 0.00 C ATOM 0 HA PRO A 107 21.708 -2.952 -25.278 1.00 0.00 H new ATOM 0 HB2 PRO A 107 24.088 -4.194 -25.961 1.00 0.00 H new ATOM 0 HB3 PRO A 107 23.627 -3.834 -24.308 1.00 0.00 H new ATOM 0 HG2 PRO A 107 23.712 -6.451 -25.681 1.00 0.00 H new ATOM 0 HG3 PRO A 107 23.675 -6.114 -23.962 1.00 0.00 H new ATOM 0 HD2 PRO A 107 21.485 -7.011 -25.581 1.00 0.00 H new ATOM 0 HD3 PRO A 107 21.421 -6.561 -23.889 1.00 0.00 H new ATOM 1618 N SER A 108 22.253 -2.565 -27.644 1.00 0.00 N ATOM 1619 CA SER A 108 22.233 -2.256 -29.063 1.00 0.00 C ATOM 1620 C SER A 108 23.657 -2.005 -29.564 1.00 0.00 C ATOM 1621 O SER A 108 24.201 -0.917 -29.380 1.00 0.00 O ATOM 1622 CB SER A 108 21.348 -1.042 -29.350 1.00 0.00 C ATOM 1623 OG SER A 108 21.889 0.156 -28.799 1.00 0.00 O ATOM 0 H SER A 108 22.569 -1.802 -27.046 1.00 0.00 H new ATOM 0 HA SER A 108 21.813 -3.111 -29.593 1.00 0.00 H new ATOM 0 HB2 SER A 108 21.232 -0.925 -30.427 1.00 0.00 H new ATOM 0 HB3 SER A 108 20.353 -1.213 -28.939 1.00 0.00 H new ATOM 0 HG SER A 108 22.853 0.189 -28.972 1.00 0.00 H new ATOM 1629 N SER A 109 24.220 -3.029 -30.188 1.00 0.00 N ATOM 1630 CA SER A 109 25.570 -2.933 -30.716 1.00 0.00 C ATOM 1631 C SER A 109 25.639 -1.834 -31.779 1.00 0.00 C ATOM 1632 O SER A 109 24.609 -1.320 -32.212 1.00 0.00 O ATOM 1633 CB SER A 109 26.028 -4.269 -31.304 1.00 0.00 C ATOM 1634 OG SER A 109 27.430 -4.288 -31.559 1.00 0.00 O ATOM 0 H SER A 109 23.766 -3.930 -30.340 1.00 0.00 H new ATOM 0 HA SER A 109 26.241 -2.679 -29.895 1.00 0.00 H new ATOM 0 HB2 SER A 109 25.774 -5.074 -30.615 1.00 0.00 H new ATOM 0 HB3 SER A 109 25.488 -4.461 -32.231 1.00 0.00 H new ATOM 0 HG SER A 109 27.683 -5.158 -31.932 1.00 0.00 H new ATOM 1640 N GLY A 110 26.863 -1.508 -32.168 1.00 0.00 N ATOM 1641 CA GLY A 110 27.079 -0.479 -33.172 1.00 0.00 C ATOM 1642 C GLY A 110 26.751 0.908 -32.615 1.00 0.00 C ATOM 1643 O GLY A 110 27.456 1.414 -31.744 1.00 0.00 O ATOM 0 H GLY A 110 27.715 -1.938 -31.807 1.00 0.00 H new ATOM 0 HA2 GLY A 110 28.116 -0.504 -33.507 1.00 0.00 H new ATOM 0 HA3 GLY A 110 26.457 -0.681 -34.044 1.00 0.00 H new TER 1647 GLY A 110