USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 750 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 65 HIS : no HE2:sc=-0.000789 K(o=0.37,f=-5.1!) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.372 USER MOD Set 2.1: A 61 SER OG : rot -91:sc= -0.237 USER MOD Set 2.2: A 64 ASN :FLIP amide:sc= 0.632 F(o=-1,f=0.39) USER MOD Single : A 1 GLU N :NH3+ -114:sc= 0.0388 (180deg=-0.12) USER MOD Single : A 2 LYS NZ :NH3+ 177:sc= -0.0117 (180deg=-0.017) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 54:sc= 1.05 USER MOD Single : A 13 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.014) USER MOD Single : A 14 MET CE :methyl -175:sc= -1.42 (180deg=-1.49) USER MOD Single : A 15 LYS NZ :NH3+ -105:sc= -0.567 (180deg=-3.36!) USER MOD Single : A 17 TYR OH : rot 158:sc= -0.579 USER MOD Single : A 19 ASN : amide:sc=-0.00487 X(o=-0.0049,f=-0.49) USER MOD Single : A 25 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 27 SER OG : rot 28:sc= 0.936 USER MOD Single : A 29 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.021) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.18 K(o=-1.2,f=-9.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -134:sc= -0.165 (180deg=-1.44) USER MOD Single : A 53 SER OG : rot 25:sc= 1.14 USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= -0.206 (180deg=-1.27) USER MOD Single : A 56 ASN : amide:sc= 0.594 K(o=0.59,f=-0.065) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.1! C(o=-2.1!,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 74 THR OG1 : rot -28:sc= 0.0267 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00482) USER MOD Single : A 79 CYS SG : rot 27:sc= 0.293 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0.037) USER MOD Single : A 82 SER OG : rot 160:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.874 X(o=-0.87,f=-1.3) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0795 X(o=-0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.488 -30.796 12.656 1.00 0.00 N ATOM 2 CA GLU A 1 -15.144 -29.430 12.169 1.00 0.00 C ATOM 3 C GLU A 1 -16.294 -28.816 11.371 1.00 0.00 C ATOM 4 O GLU A 1 -17.136 -29.534 10.829 1.00 0.00 O ATOM 5 CB GLU A 1 -13.884 -29.514 11.300 1.00 0.00 C ATOM 6 CG GLU A 1 -12.623 -29.845 12.086 1.00 0.00 C ATOM 7 CD GLU A 1 -11.762 -30.903 11.417 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.310 -31.954 11.022 1.00 0.00 O ATOM 9 OE2 GLU A 1 -10.540 -30.679 11.294 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.544 -30.790 13.694 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.406 -31.084 12.261 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.754 -31.468 12.352 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.962 -28.787 13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.033 -30.272 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.743 -28.563 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -12.035 -28.937 12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.903 -30.190 13.081 1.00 0.00 H new ATOM 16 N LYS A 2 -16.319 -27.485 11.301 1.00 0.00 N ATOM 17 CA LYS A 2 -17.364 -26.773 10.564 1.00 0.00 C ATOM 18 C LYS A 2 -17.090 -26.813 9.062 1.00 0.00 C ATOM 19 O LYS A 2 -15.942 -26.952 8.635 1.00 0.00 O ATOM 20 CB LYS A 2 -17.456 -25.318 11.037 1.00 0.00 C ATOM 21 CG LYS A 2 -18.878 -24.863 11.339 1.00 0.00 C ATOM 22 CD LYS A 2 -19.097 -24.664 12.831 1.00 0.00 C ATOM 23 CE LYS A 2 -19.289 -25.990 13.553 1.00 0.00 C ATOM 24 NZ LYS A 2 -18.029 -26.472 14.190 1.00 0.00 N ATOM 0 H LYS A 2 -15.629 -26.879 11.745 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.314 -27.271 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.847 -25.197 11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.031 -24.669 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.082 -23.930 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.585 -25.602 10.962 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.243 -24.138 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.972 -24.033 12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.060 -25.878 14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.646 -26.739 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.218 -27.351 14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.316 -26.653 13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.673 -25.749 14.847 1.00 0.00 H new ATOM 38 N LYS A 3 -18.149 -26.682 8.263 1.00 0.00 N ATOM 39 CA LYS A 3 -18.021 -26.695 6.807 1.00 0.00 C ATOM 40 C LYS A 3 -17.589 -25.319 6.293 1.00 0.00 C ATOM 41 O LYS A 3 -18.325 -24.654 5.559 1.00 0.00 O ATOM 42 CB LYS A 3 -19.345 -27.125 6.159 1.00 0.00 C ATOM 43 CG LYS A 3 -19.241 -27.401 4.664 1.00 0.00 C ATOM 44 CD LYS A 3 -18.287 -28.549 4.365 1.00 0.00 C ATOM 45 CE LYS A 3 -17.017 -28.061 3.683 1.00 0.00 C ATOM 46 NZ LYS A 3 -16.676 -28.875 2.482 1.00 0.00 N ATOM 0 H LYS A 3 -19.105 -26.566 8.600 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.252 -27.417 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.708 -28.023 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.089 -26.345 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.229 -27.637 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.899 -26.502 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.029 -29.059 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.785 -29.280 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.141 -27.018 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.189 -28.097 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.805 -28.507 2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.531 -29.866 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.454 -28.821 1.794 1.00 0.00 H new ATOM 60 N GLU A 4 -16.387 -24.901 6.689 1.00 0.00 N ATOM 61 CA GLU A 4 -15.844 -23.610 6.278 1.00 0.00 C ATOM 62 C GLU A 4 -15.379 -23.658 4.825 1.00 0.00 C ATOM 63 O GLU A 4 -14.617 -24.546 4.438 1.00 0.00 O ATOM 64 CB GLU A 4 -14.685 -23.204 7.193 1.00 0.00 C ATOM 65 CG GLU A 4 -14.622 -21.710 7.479 1.00 0.00 C ATOM 66 CD GLU A 4 -13.446 -21.029 6.801 1.00 0.00 C ATOM 67 OE1 GLU A 4 -12.298 -21.482 7.001 1.00 0.00 O ATOM 68 OE2 GLU A 4 -13.673 -20.042 6.072 1.00 0.00 O ATOM 0 H GLU A 4 -15.770 -25.441 7.296 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.634 -22.864 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.774 -23.742 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.746 -23.517 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.548 -21.242 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.555 -21.554 8.556 1.00 0.00 H new ATOM 75 N GLN A 5 -15.848 -22.702 4.026 1.00 0.00 N ATOM 76 CA GLN A 5 -15.487 -22.635 2.612 1.00 0.00 C ATOM 77 C GLN A 5 -14.265 -21.746 2.394 1.00 0.00 C ATOM 78 O GLN A 5 -13.831 -21.037 3.303 1.00 0.00 O ATOM 79 CB GLN A 5 -16.671 -22.116 1.790 1.00 0.00 C ATOM 80 CG GLN A 5 -17.900 -23.009 1.864 1.00 0.00 C ATOM 81 CD GLN A 5 -19.191 -22.226 2.012 1.00 0.00 C ATOM 82 OE1 GLN A 5 -19.431 -21.262 1.284 1.00 0.00 O ATOM 83 NE2 GLN A 5 -20.032 -22.638 2.954 1.00 0.00 N ATOM 0 H GLN A 5 -16.479 -21.963 4.334 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.234 -23.642 2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.936 -21.118 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.365 -22.019 0.748 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.953 -23.621 0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.796 -23.692 2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.793 -23.442 3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.917 -22.151 3.096 1.00 0.00 H new ATOM 92 N VAL A 6 -13.717 -21.788 1.179 1.00 0.00 N ATOM 93 CA VAL A 6 -12.543 -20.985 0.834 1.00 0.00 C ATOM 94 C VAL A 6 -12.848 -19.491 0.951 1.00 0.00 C ATOM 95 O VAL A 6 -14.002 -19.076 0.830 1.00 0.00 O ATOM 96 CB VAL A 6 -12.042 -21.293 -0.600 1.00 0.00 C ATOM 97 CG1 VAL A 6 -10.699 -20.626 -0.858 1.00 0.00 C ATOM 98 CG2 VAL A 6 -11.942 -22.796 -0.830 1.00 0.00 C ATOM 0 H VAL A 6 -14.067 -22.369 0.417 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.759 -21.250 1.543 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.769 -20.887 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.367 -20.856 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.801 -19.547 -0.746 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.965 -20.997 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.588 -22.986 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.242 -23.228 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.924 -23.251 -0.697 1.00 0.00 H new ATOM 108 N SER A 7 -11.806 -18.691 1.194 1.00 0.00 N ATOM 109 CA SER A 7 -11.957 -17.242 1.335 1.00 0.00 C ATOM 110 C SER A 7 -12.738 -16.652 0.161 1.00 0.00 C ATOM 111 O SER A 7 -12.272 -16.669 -0.980 1.00 0.00 O ATOM 112 CB SER A 7 -10.584 -16.567 1.448 1.00 0.00 C ATOM 113 OG SER A 7 -10.701 -15.152 1.440 1.00 0.00 O ATOM 0 H SER A 7 -10.847 -19.024 1.297 1.00 0.00 H new ATOM 0 HA SER A 7 -12.520 -17.052 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.093 -16.888 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.951 -16.886 0.620 1.00 0.00 H new ATOM 0 HG SER A 7 -9.811 -14.750 1.515 1.00 0.00 H new ATOM 119 N GLY A 8 -13.930 -16.134 0.459 1.00 0.00 N ATOM 120 CA GLY A 8 -14.770 -15.541 -0.569 1.00 0.00 C ATOM 121 C GLY A 8 -14.172 -14.271 -1.149 1.00 0.00 C ATOM 122 O GLY A 8 -13.968 -14.184 -2.361 1.00 0.00 O ATOM 0 H GLY A 8 -14.329 -16.115 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.924 -16.265 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.750 -15.318 -0.148 1.00 0.00 H new ATOM 126 N PRO A 9 -13.877 -13.257 -0.303 1.00 0.00 N ATOM 127 CA PRO A 9 -13.292 -11.986 -0.754 1.00 0.00 C ATOM 128 C PRO A 9 -12.023 -12.188 -1.582 1.00 0.00 C ATOM 129 O PRO A 9 -11.202 -13.052 -1.266 1.00 0.00 O ATOM 130 CB PRO A 9 -12.956 -11.261 0.551 1.00 0.00 C ATOM 131 CG PRO A 9 -13.887 -11.838 1.559 1.00 0.00 C ATOM 132 CD PRO A 9 -14.090 -13.273 1.159 1.00 0.00 C ATOM 0 HA PRO A 9 -13.976 -11.438 -1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.916 -11.421 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.097 -10.185 0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.468 -11.768 2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.834 -11.298 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.383 -13.933 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.090 -13.624 1.415 1.00 0.00 H new ATOM 140 N PRO A 10 -11.847 -11.390 -2.656 1.00 0.00 N ATOM 141 CA PRO A 10 -10.673 -11.483 -3.539 1.00 0.00 C ATOM 142 C PRO A 10 -9.350 -11.478 -2.771 1.00 0.00 C ATOM 143 O PRO A 10 -8.453 -12.269 -3.071 1.00 0.00 O ATOM 144 CB PRO A 10 -10.796 -10.240 -4.421 1.00 0.00 C ATOM 145 CG PRO A 10 -12.255 -9.950 -4.453 1.00 0.00 C ATOM 146 CD PRO A 10 -12.784 -10.338 -3.101 1.00 0.00 C ATOM 0 HA PRO A 10 -10.659 -12.419 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.234 -9.403 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.405 -10.423 -5.422 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.439 -8.895 -4.656 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.748 -10.517 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.793 -9.491 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.807 -10.710 -3.161 1.00 0.00 H new ATOM 154 N LEU A 11 -9.234 -10.594 -1.780 1.00 0.00 N ATOM 155 CA LEU A 11 -8.018 -10.508 -0.975 1.00 0.00 C ATOM 156 C LEU A 11 -8.332 -10.692 0.507 1.00 0.00 C ATOM 157 O LEU A 11 -8.192 -11.789 1.042 1.00 0.00 O ATOM 158 CB LEU A 11 -7.308 -9.171 -1.210 1.00 0.00 C ATOM 159 CG LEU A 11 -5.850 -9.291 -1.647 1.00 0.00 C ATOM 160 CD1 LEU A 11 -5.739 -10.092 -2.938 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.228 -7.911 -1.809 1.00 0.00 C ATOM 0 H LEU A 11 -9.963 -9.931 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.351 -11.313 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.856 -8.613 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.351 -8.586 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.300 -9.824 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.692 -10.165 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.143 -11.092 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.303 -9.592 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.189 -8.015 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.779 -7.350 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.270 -7.379 -0.859 1.00 0.00 H new ATOM 173 N SER A 12 -8.770 -9.611 1.155 1.00 0.00 N ATOM 174 CA SER A 12 -9.123 -9.630 2.573 1.00 0.00 C ATOM 175 C SER A 12 -8.039 -10.293 3.438 1.00 0.00 C ATOM 176 O SER A 12 -8.062 -11.501 3.678 1.00 0.00 O ATOM 177 CB SER A 12 -10.487 -10.314 2.762 1.00 0.00 C ATOM 178 OG SER A 12 -10.390 -11.731 2.728 1.00 0.00 O ATOM 0 H SER A 12 -8.889 -8.700 0.711 1.00 0.00 H new ATOM 0 HA SER A 12 -9.194 -8.597 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.917 -10.004 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.170 -9.980 1.981 1.00 0.00 H new ATOM 0 HG SER A 12 -9.726 -12.029 3.384 1.00 0.00 H new ATOM 184 N ASN A 13 -7.090 -9.484 3.917 1.00 0.00 N ATOM 185 CA ASN A 13 -6.007 -9.992 4.763 1.00 0.00 C ATOM 186 C ASN A 13 -5.528 -8.919 5.749 1.00 0.00 C ATOM 187 O ASN A 13 -5.941 -8.910 6.910 1.00 0.00 O ATOM 188 CB ASN A 13 -4.838 -10.490 3.903 1.00 0.00 C ATOM 189 CG ASN A 13 -5.001 -11.934 3.460 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.999 -12.229 2.265 1.00 0.00 O ATOM 191 ND2 ASN A 13 -5.141 -12.847 4.418 1.00 0.00 N ATOM 0 H ASN A 13 -7.049 -8.481 3.735 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.397 -10.831 5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.745 -9.854 3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.911 -10.391 4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.252 -13.831 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.138 -12.563 5.398 1.00 0.00 H new ATOM 198 N MET A 14 -4.656 -8.022 5.283 1.00 0.00 N ATOM 199 CA MET A 14 -4.120 -6.953 6.127 1.00 0.00 C ATOM 200 C MET A 14 -3.401 -5.905 5.275 1.00 0.00 C ATOM 201 O MET A 14 -2.635 -6.252 4.377 1.00 0.00 O ATOM 202 CB MET A 14 -3.167 -7.532 7.185 1.00 0.00 C ATOM 203 CG MET A 14 -2.120 -8.486 6.623 1.00 0.00 C ATOM 204 SD MET A 14 -1.844 -9.918 7.687 1.00 0.00 S ATOM 205 CE MET A 14 -3.010 -11.088 6.994 1.00 0.00 C ATOM 0 H MET A 14 -4.306 -8.015 4.325 1.00 0.00 H new ATOM 0 HA MET A 14 -4.951 -6.468 6.638 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.660 -6.710 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 14 -3.754 -8.057 7.939 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.436 -8.826 5.637 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.180 -7.950 6.490 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.021 -11.993 7.601 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.006 -10.646 6.983 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.713 -11.338 5.975 1.00 0.00 H new ATOM 215 N LYS A 15 -3.656 -4.628 5.556 1.00 0.00 N ATOM 216 CA LYS A 15 -3.035 -3.540 4.808 1.00 0.00 C ATOM 217 C LYS A 15 -2.786 -2.333 5.709 1.00 0.00 C ATOM 218 O LYS A 15 -3.495 -2.128 6.695 1.00 0.00 O ATOM 219 CB LYS A 15 -3.914 -3.147 3.621 1.00 0.00 C ATOM 220 CG LYS A 15 -3.121 -2.754 2.386 1.00 0.00 C ATOM 221 CD LYS A 15 -3.878 -3.077 1.108 1.00 0.00 C ATOM 222 CE LYS A 15 -3.983 -4.582 0.888 1.00 0.00 C ATOM 223 NZ LYS A 15 -5.304 -5.129 1.314 1.00 0.00 N ATOM 0 H LYS A 15 -4.288 -4.323 6.296 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.072 -3.887 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.570 -3.981 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.554 -2.314 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.900 -1.687 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.165 -3.277 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.877 -2.644 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.373 -2.618 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.824 -4.804 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.190 -5.084 1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.195 -5.640 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.979 -4.348 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.661 -5.781 0.587 1.00 0.00 H new ATOM 237 N PHE A 16 -1.777 -1.539 5.374 1.00 0.00 N ATOM 238 CA PHE A 16 -1.436 -0.355 6.162 1.00 0.00 C ATOM 239 C PHE A 16 -0.648 0.640 5.311 1.00 0.00 C ATOM 240 O PHE A 16 0.275 0.250 4.601 1.00 0.00 O ATOM 241 CB PHE A 16 -0.646 -0.786 7.404 1.00 0.00 C ATOM 242 CG PHE A 16 -0.239 0.336 8.322 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.075 1.422 8.544 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.981 0.291 8.980 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.697 2.438 9.401 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.362 1.307 9.835 1.00 0.00 C ATOM 247 CZ PHE A 16 0.524 2.381 10.047 1.00 0.00 C ATOM 0 H PHE A 16 -1.179 -1.691 4.562 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.347 0.147 6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.248 -1.498 7.970 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.251 -1.314 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.030 1.473 8.042 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.641 -0.549 8.822 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.356 3.277 9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.317 1.260 10.338 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.820 3.176 10.716 1.00 0.00 H new ATOM 257 N TYR A 17 -1.028 1.918 5.359 1.00 0.00 N ATOM 258 CA TYR A 17 -0.352 2.937 4.555 1.00 0.00 C ATOM 259 C TYR A 17 0.120 4.117 5.410 1.00 0.00 C ATOM 260 O TYR A 17 -0.664 4.994 5.766 1.00 0.00 O ATOM 261 CB TYR A 17 -1.288 3.428 3.446 1.00 0.00 C ATOM 262 CG TYR A 17 -1.120 2.687 2.136 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.278 1.308 2.073 1.00 0.00 C ATOM 264 CD2 TYR A 17 -0.801 3.364 0.965 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.118 0.624 0.887 1.00 0.00 C ATOM 266 CE2 TYR A 17 -0.642 2.688 -0.229 1.00 0.00 C ATOM 267 CZ TYR A 17 -0.802 1.316 -0.265 1.00 0.00 C ATOM 268 OH TYR A 17 -0.635 0.630 -1.448 1.00 0.00 O ATOM 0 H TYR A 17 -1.791 2.269 5.938 1.00 0.00 H new ATOM 0 HA TYR A 17 0.533 2.481 4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.320 3.325 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.112 4.490 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.531 0.762 2.970 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.675 4.436 0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.239 -0.449 0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.394 3.229 -1.130 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.773 1.240 -2.202 1.00 0.00 H new ATOM 278 N LEU A 18 1.416 4.136 5.725 1.00 0.00 N ATOM 279 CA LEU A 18 2.000 5.209 6.531 1.00 0.00 C ATOM 280 C LEU A 18 3.470 5.409 6.171 1.00 0.00 C ATOM 281 O LEU A 18 4.342 4.744 6.727 1.00 0.00 O ATOM 282 CB LEU A 18 1.865 4.889 8.027 1.00 0.00 C ATOM 283 CG LEU A 18 1.106 5.927 8.860 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.372 5.933 8.503 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.289 5.649 10.346 1.00 0.00 C ATOM 0 H LEU A 18 2.082 3.420 5.434 1.00 0.00 H new ATOM 0 HA LEU A 18 1.459 6.131 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.362 3.928 8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.864 4.773 8.447 1.00 0.00 H new ATOM 0 HG LEU A 18 1.516 6.911 8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.889 6.678 9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.490 6.177 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.797 4.949 8.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.744 6.394 10.925 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.906 4.656 10.580 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.348 5.697 10.597 1.00 0.00 H new ATOM 297 N ASN A 19 3.745 6.320 5.237 1.00 0.00 N ATOM 298 CA ASN A 19 5.123 6.584 4.819 1.00 0.00 C ATOM 299 C ASN A 19 5.885 7.348 5.896 1.00 0.00 C ATOM 300 O ASN A 19 5.287 8.055 6.709 1.00 0.00 O ATOM 301 CB ASN A 19 5.153 7.366 3.503 1.00 0.00 C ATOM 302 CG ASN A 19 4.417 6.651 2.382 1.00 0.00 C ATOM 303 OD1 ASN A 19 4.379 5.421 2.333 1.00 0.00 O ATOM 304 ND2 ASN A 19 3.832 7.418 1.467 1.00 0.00 N ATOM 0 H ASN A 19 3.041 6.882 4.760 1.00 0.00 H new ATOM 0 HA ASN A 19 5.611 5.622 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.706 8.348 3.658 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.189 7.530 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.329 6.991 0.689 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.886 8.434 1.543 1.00 0.00 H new ATOM 311 N ARG A 20 7.210 7.201 5.894 1.00 0.00 N ATOM 312 CA ARG A 20 8.060 7.879 6.870 1.00 0.00 C ATOM 313 C ARG A 20 8.604 9.190 6.300 1.00 0.00 C ATOM 314 O ARG A 20 8.221 10.272 6.745 1.00 0.00 O ATOM 315 CB ARG A 20 9.216 6.970 7.307 1.00 0.00 C ATOM 316 CG ARG A 20 9.727 7.266 8.709 1.00 0.00 C ATOM 317 CD ARG A 20 11.246 7.211 8.767 1.00 0.00 C ATOM 318 NE ARG A 20 11.768 5.924 8.306 1.00 0.00 N ATOM 319 CZ ARG A 20 13.040 5.712 7.958 1.00 0.00 C ATOM 320 NH1 ARG A 20 13.930 6.699 8.029 1.00 0.00 N ATOM 321 NH2 ARG A 20 13.426 4.510 7.539 1.00 0.00 N ATOM 0 H ARG A 20 7.717 6.619 5.227 1.00 0.00 H new ATOM 0 HA ARG A 20 7.450 8.110 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.888 5.932 7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.038 7.077 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.385 8.252 9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.308 6.545 9.411 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.661 8.011 8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.576 7.390 9.790 1.00 0.00 H new ATOM 0 HE ARG A 20 11.119 5.139 8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.642 7.623 8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.900 6.531 7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.750 3.748 7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.398 4.350 7.274 1.00 0.00 H new ATOM 335 N ASP A 21 9.489 9.082 5.307 1.00 0.00 N ATOM 336 CA ASP A 21 10.082 10.255 4.666 1.00 0.00 C ATOM 337 C ASP A 21 10.854 9.848 3.415 1.00 0.00 C ATOM 338 O ASP A 21 12.087 9.788 3.420 1.00 0.00 O ATOM 339 CB ASP A 21 11.005 11.002 5.641 1.00 0.00 C ATOM 340 CG ASP A 21 11.269 12.440 5.220 1.00 0.00 C ATOM 341 OD1 ASP A 21 11.476 12.684 4.013 1.00 0.00 O ATOM 342 OD2 ASP A 21 11.277 13.323 6.103 1.00 0.00 O ATOM 0 H ASP A 21 9.811 8.191 4.929 1.00 0.00 H new ATOM 0 HA ASP A 21 9.274 10.926 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.557 10.996 6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.954 10.470 5.715 1.00 0.00 H new ATOM 347 N ALA A 22 10.121 9.565 2.343 1.00 0.00 N ATOM 348 CA ALA A 22 10.733 9.165 1.081 1.00 0.00 C ATOM 349 C ALA A 22 10.766 10.318 0.074 1.00 0.00 C ATOM 350 O ALA A 22 11.185 10.132 -1.070 1.00 0.00 O ATOM 351 CB ALA A 22 10.001 7.963 0.495 1.00 0.00 C ATOM 0 H ALA A 22 9.102 9.605 2.323 1.00 0.00 H new ATOM 0 HA ALA A 22 11.766 8.884 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.469 7.676 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.052 7.129 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.958 8.224 0.317 1.00 0.00 H new ATOM 357 N ASP A 23 10.323 11.503 0.503 1.00 0.00 N ATOM 358 CA ASP A 23 10.297 12.684 -0.357 1.00 0.00 C ATOM 359 C ASP A 23 9.330 12.506 -1.535 1.00 0.00 C ATOM 360 O ASP A 23 9.512 13.116 -2.590 1.00 0.00 O ATOM 361 CB ASP A 23 11.705 13.013 -0.868 1.00 0.00 C ATOM 362 CG ASP A 23 12.053 14.480 -0.697 1.00 0.00 C ATOM 363 OD1 ASP A 23 11.772 15.270 -1.622 1.00 0.00 O ATOM 364 OD2 ASP A 23 12.605 14.839 0.364 1.00 0.00 O ATOM 0 H ASP A 23 9.976 11.668 1.448 1.00 0.00 H new ATOM 0 HA ASP A 23 9.938 13.518 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.434 12.404 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.778 12.745 -1.922 1.00 0.00 H new ATOM 369 N ALA A 24 8.296 11.678 -1.341 1.00 0.00 N ATOM 370 CA ALA A 24 7.291 11.424 -2.374 1.00 0.00 C ATOM 371 C ALA A 24 7.907 10.822 -3.641 1.00 0.00 C ATOM 372 O ALA A 24 8.363 11.547 -4.528 1.00 0.00 O ATOM 373 CB ALA A 24 6.546 12.711 -2.698 1.00 0.00 C ATOM 0 H ALA A 24 8.135 11.171 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 24 6.588 10.689 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.799 12.515 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.053 13.082 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.252 13.459 -3.059 1.00 0.00 H new ATOM 379 N HIS A 25 7.910 9.491 -3.721 1.00 0.00 N ATOM 380 CA HIS A 25 8.468 8.792 -4.879 1.00 0.00 C ATOM 381 C HIS A 25 7.370 8.291 -5.820 1.00 0.00 C ATOM 382 O HIS A 25 7.556 8.272 -7.038 1.00 0.00 O ATOM 383 CB HIS A 25 9.345 7.620 -4.428 1.00 0.00 C ATOM 384 CG HIS A 25 10.528 7.380 -5.314 1.00 0.00 C ATOM 385 ND1 HIS A 25 11.657 6.712 -4.894 1.00 0.00 N ATOM 386 CD2 HIS A 25 10.754 7.720 -6.608 1.00 0.00 C ATOM 387 CE1 HIS A 25 12.528 6.653 -5.886 1.00 0.00 C ATOM 388 NE2 HIS A 25 12.005 7.257 -6.937 1.00 0.00 N ATOM 0 H HIS A 25 7.533 8.876 -2.999 1.00 0.00 H new ATOM 0 HA HIS A 25 9.081 9.508 -5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.694 7.808 -3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.738 6.715 -4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.077 8.255 -7.258 1.00 0.00 H new ATOM 0 HE1 HIS A 25 13.502 6.189 -5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 25 12.456 7.363 -7.846 1.00 0.00 H new ATOM 397 N ASP A 26 6.231 7.887 -5.256 1.00 0.00 N ATOM 398 CA ASP A 26 5.120 7.388 -6.058 1.00 0.00 C ATOM 399 C ASP A 26 3.881 8.270 -5.890 1.00 0.00 C ATOM 400 O ASP A 26 3.496 8.989 -6.813 1.00 0.00 O ATOM 401 CB ASP A 26 4.799 5.938 -5.682 1.00 0.00 C ATOM 402 CG ASP A 26 3.912 5.258 -6.706 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.430 4.860 -7.769 1.00 0.00 O ATOM 404 OD2 ASP A 26 2.697 5.125 -6.445 1.00 0.00 O ATOM 0 H ASP A 26 6.057 7.896 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 26 5.418 7.420 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.728 5.377 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.308 5.918 -4.709 1.00 0.00 H new ATOM 409 N SER A 27 3.264 8.208 -4.707 1.00 0.00 N ATOM 410 CA SER A 27 2.067 9.000 -4.418 1.00 0.00 C ATOM 411 C SER A 27 1.836 9.112 -2.909 1.00 0.00 C ATOM 412 O SER A 27 2.449 8.390 -2.122 1.00 0.00 O ATOM 413 CB SER A 27 0.843 8.363 -5.083 1.00 0.00 C ATOM 414 OG SER A 27 0.754 8.729 -6.451 1.00 0.00 O ATOM 0 H SER A 27 3.574 7.618 -3.935 1.00 0.00 H new ATOM 0 HA SER A 27 2.217 10.002 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.903 7.278 -4.997 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.061 8.675 -4.561 1.00 0.00 H new ATOM 0 HG SER A 27 1.651 8.912 -6.800 1.00 0.00 H new ATOM 420 N LEU A 28 0.941 10.022 -2.516 1.00 0.00 N ATOM 421 CA LEU A 28 0.623 10.230 -1.101 1.00 0.00 C ATOM 422 C LEU A 28 -0.873 10.477 -0.910 1.00 0.00 C ATOM 423 O LEU A 28 -1.522 9.803 -0.109 1.00 0.00 O ATOM 424 CB LEU A 28 1.420 11.409 -0.533 1.00 0.00 C ATOM 425 CG LEU A 28 2.910 11.423 -0.890 1.00 0.00 C ATOM 426 CD1 LEU A 28 3.147 12.190 -2.184 1.00 0.00 C ATOM 427 CD2 LEU A 28 3.720 12.025 0.248 1.00 0.00 C ATOM 0 H LEU A 28 0.425 10.625 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 28 0.900 9.324 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.969 12.336 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.323 11.403 0.553 1.00 0.00 H new ATOM 0 HG LEU A 28 3.238 10.395 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.211 12.187 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.595 11.715 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.804 13.218 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.777 12.028 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.388 13.047 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.576 11.431 1.151 1.00 0.00 H new ATOM 439 N ASN A 29 -1.416 11.444 -1.648 1.00 0.00 N ATOM 440 CA ASN A 29 -2.838 11.771 -1.568 1.00 0.00 C ATOM 441 C ASN A 29 -3.649 10.937 -2.569 1.00 0.00 C ATOM 442 O ASN A 29 -4.811 10.613 -2.318 1.00 0.00 O ATOM 443 CB ASN A 29 -3.065 13.263 -1.821 1.00 0.00 C ATOM 444 CG ASN A 29 -4.320 13.785 -1.143 1.00 0.00 C ATOM 445 OD1 ASN A 29 -5.189 14.368 -1.790 1.00 0.00 O ATOM 446 ND2 ASN A 29 -4.422 13.581 0.168 1.00 0.00 N ATOM 0 H ASN A 29 -0.891 12.016 -2.310 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.180 11.531 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.202 13.824 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.136 13.439 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.244 13.913 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.679 13.093 0.668 1.00 0.00 H new ATOM 453 N ASP A 30 -3.023 10.603 -3.703 1.00 0.00 N ATOM 454 CA ASP A 30 -3.674 9.815 -4.755 1.00 0.00 C ATOM 455 C ASP A 30 -3.985 8.396 -4.286 1.00 0.00 C ATOM 456 O ASP A 30 -4.988 7.809 -4.700 1.00 0.00 O ATOM 457 CB ASP A 30 -2.789 9.752 -6.003 1.00 0.00 C ATOM 458 CG ASP A 30 -2.318 11.118 -6.461 1.00 0.00 C ATOM 459 OD1 ASP A 30 -1.265 11.575 -5.969 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.003 11.729 -7.307 1.00 0.00 O ATOM 0 H ASP A 30 -2.061 10.868 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.613 10.313 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.922 9.125 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.343 9.274 -6.811 1.00 0.00 H new ATOM 465 N ILE A 31 -3.123 7.841 -3.430 1.00 0.00 N ATOM 466 CA ILE A 31 -3.324 6.484 -2.919 1.00 0.00 C ATOM 467 C ILE A 31 -4.683 6.341 -2.240 1.00 0.00 C ATOM 468 O ILE A 31 -5.262 5.261 -2.239 1.00 0.00 O ATOM 469 CB ILE A 31 -2.222 6.051 -1.936 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.058 7.084 -0.819 1.00 0.00 C ATOM 471 CG2 ILE A 31 -0.914 5.839 -2.683 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.856 6.837 0.069 1.00 0.00 C ATOM 0 H ILE A 31 -2.286 8.306 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.280 5.830 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.512 5.107 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.972 8.076 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.958 7.087 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.139 5.533 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.047 5.063 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.617 6.769 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.806 7.609 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.948 5.860 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.053 6.864 -0.533 1.00 0.00 H new ATOM 484 N ASP A 32 -5.200 7.442 -1.685 1.00 0.00 N ATOM 485 CA ASP A 32 -6.510 7.433 -1.031 1.00 0.00 C ATOM 486 C ASP A 32 -7.558 6.840 -1.964 1.00 0.00 C ATOM 487 O ASP A 32 -8.441 6.094 -1.540 1.00 0.00 O ATOM 488 CB ASP A 32 -6.919 8.866 -0.650 1.00 0.00 C ATOM 489 CG ASP A 32 -8.286 8.943 0.012 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.304 8.801 -0.699 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.338 9.157 1.240 1.00 0.00 O ATOM 0 H ASP A 32 -4.732 8.348 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.444 6.824 -0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.172 9.283 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.921 9.487 -1.546 1.00 0.00 H new ATOM 496 N GLN A 33 -7.451 7.196 -3.241 1.00 0.00 N ATOM 497 CA GLN A 33 -8.382 6.730 -4.257 1.00 0.00 C ATOM 498 C GLN A 33 -8.132 5.275 -4.656 1.00 0.00 C ATOM 499 O GLN A 33 -9.072 4.481 -4.726 1.00 0.00 O ATOM 500 CB GLN A 33 -8.298 7.646 -5.479 1.00 0.00 C ATOM 501 CG GLN A 33 -9.344 7.353 -6.535 1.00 0.00 C ATOM 502 CD GLN A 33 -8.737 7.213 -7.916 1.00 0.00 C ATOM 503 OE1 GLN A 33 -8.172 8.165 -8.454 1.00 0.00 O ATOM 504 NE2 GLN A 33 -8.844 6.024 -8.496 1.00 0.00 N ATOM 0 H GLN A 33 -6.720 7.812 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.386 6.768 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.403 8.681 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.308 7.551 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.872 6.435 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.083 8.154 -6.544 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.321 5.262 -8.014 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.449 5.872 -9.424 1.00 0.00 H new ATOM 513 N LEU A 34 -6.874 4.920 -4.912 1.00 0.00 N ATOM 514 CA LEU A 34 -6.536 3.547 -5.297 1.00 0.00 C ATOM 515 C LEU A 34 -6.679 2.590 -4.113 1.00 0.00 C ATOM 516 O LEU A 34 -6.863 1.384 -4.294 1.00 0.00 O ATOM 517 CB LEU A 34 -5.116 3.487 -5.861 1.00 0.00 C ATOM 518 CG LEU A 34 -3.994 3.647 -4.834 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.694 2.326 -4.144 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.746 4.196 -5.501 1.00 0.00 C ATOM 0 H LEU A 34 -6.078 5.555 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.236 3.232 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.986 2.532 -6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.009 4.267 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.325 4.355 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.893 2.468 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.588 1.972 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.386 1.590 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.955 4.305 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.419 3.510 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.967 5.168 -5.942 1.00 0.00 H new ATOM 532 N ALA A 35 -6.599 3.139 -2.904 1.00 0.00 N ATOM 533 CA ALA A 35 -6.726 2.346 -1.687 1.00 0.00 C ATOM 534 C ALA A 35 -8.193 2.142 -1.314 1.00 0.00 C ATOM 535 O ALA A 35 -8.539 1.152 -0.671 1.00 0.00 O ATOM 536 CB ALA A 35 -5.969 3.000 -0.541 1.00 0.00 C ATOM 0 H ALA A 35 -6.446 4.134 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.288 1.366 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.076 2.394 0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.914 3.081 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.375 3.995 -0.358 1.00 0.00 H new ATOM 542 N ARG A 36 -9.057 3.072 -1.734 1.00 0.00 N ATOM 543 CA ARG A 36 -10.490 2.977 -1.450 1.00 0.00 C ATOM 544 C ARG A 36 -11.078 1.682 -2.021 1.00 0.00 C ATOM 545 O ARG A 36 -12.027 1.126 -1.466 1.00 0.00 O ATOM 546 CB ARG A 36 -11.230 4.187 -2.025 1.00 0.00 C ATOM 547 CG ARG A 36 -11.555 5.250 -0.989 1.00 0.00 C ATOM 548 CD ARG A 36 -12.896 5.908 -1.272 1.00 0.00 C ATOM 549 NE ARG A 36 -12.952 7.285 -0.777 1.00 0.00 N ATOM 550 CZ ARG A 36 -13.869 8.179 -1.156 1.00 0.00 C ATOM 551 NH1 ARG A 36 -14.812 7.848 -2.037 1.00 0.00 N ATOM 552 NH2 ARG A 36 -13.842 9.408 -0.652 1.00 0.00 N ATOM 0 H ARG A 36 -8.788 3.897 -2.271 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.618 2.965 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.623 4.633 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.156 3.849 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.571 4.800 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.771 6.007 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.082 5.902 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.691 5.324 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.247 7.580 -0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.837 6.906 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.509 8.537 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.122 9.667 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.541 10.093 -0.940 1.00 0.00 H new ATOM 566 N LEU A 37 -10.504 1.211 -3.129 1.00 0.00 N ATOM 567 CA LEU A 37 -10.961 -0.017 -3.776 1.00 0.00 C ATOM 568 C LEU A 37 -10.491 -1.255 -3.011 1.00 0.00 C ATOM 569 O LEU A 37 -11.289 -2.141 -2.699 1.00 0.00 O ATOM 570 CB LEU A 37 -10.440 -0.072 -5.215 1.00 0.00 C ATOM 571 CG LEU A 37 -11.433 0.392 -6.283 1.00 0.00 C ATOM 572 CD1 LEU A 37 -11.643 1.897 -6.198 1.00 0.00 C ATOM 573 CD2 LEU A 37 -10.947 -0.007 -7.670 1.00 0.00 C ATOM 0 H LEU A 37 -9.719 1.664 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.051 -0.011 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.543 0.543 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.142 -1.097 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.390 -0.097 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.352 2.209 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.035 2.155 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.692 2.406 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.665 0.330 -8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.978 0.454 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.850 -1.091 -7.724 1.00 0.00 H new ATOM 585 N ILE A 38 -9.194 -1.308 -2.714 1.00 0.00 N ATOM 586 CA ILE A 38 -8.609 -2.436 -1.988 1.00 0.00 C ATOM 587 C ILE A 38 -9.031 -2.435 -0.511 1.00 0.00 C ATOM 588 O ILE A 38 -8.961 -3.467 0.160 1.00 0.00 O ATOM 589 CB ILE A 38 -7.061 -2.429 -2.108 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.633 -2.880 -3.512 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.424 -3.324 -1.053 1.00 0.00 C ATOM 592 CD1 ILE A 38 -7.204 -2.039 -4.635 1.00 0.00 C ATOM 0 H ILE A 38 -8.525 -0.580 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.989 -3.350 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.715 -1.409 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.545 -2.857 -3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.939 -3.916 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.340 -3.299 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.698 -2.967 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.778 -4.347 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.853 -2.424 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.293 -2.081 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.878 -1.006 -4.518 1.00 0.00 H new ATOM 604 N ARG A 39 -9.498 -1.284 -0.020 1.00 0.00 N ATOM 605 CA ARG A 39 -9.957 -1.162 1.358 1.00 0.00 C ATOM 606 C ARG A 39 -11.318 -1.832 1.518 1.00 0.00 C ATOM 607 O ARG A 39 -11.639 -2.361 2.583 1.00 0.00 O ATOM 608 CB ARG A 39 -10.052 0.314 1.759 1.00 0.00 C ATOM 609 CG ARG A 39 -10.233 0.530 3.253 1.00 0.00 C ATOM 610 CD ARG A 39 -11.699 0.726 3.617 1.00 0.00 C ATOM 611 NE ARG A 39 -12.255 1.961 3.056 1.00 0.00 N ATOM 612 CZ ARG A 39 -13.565 2.188 2.901 1.00 0.00 C ATOM 613 NH1 ARG A 39 -14.457 1.271 3.265 1.00 0.00 N ATOM 614 NH2 ARG A 39 -13.983 3.339 2.383 1.00 0.00 N ATOM 0 H ARG A 39 -9.567 -0.423 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.237 -1.658 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.148 0.829 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.888 0.772 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.834 -0.327 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.660 1.402 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.277 -0.125 3.257 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.802 0.745 4.702 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.604 2.691 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.145 0.387 3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.453 1.452 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.305 4.049 2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.981 3.512 2.265 1.00 0.00 H new ATOM 628 N ALA A 40 -12.107 -1.813 0.441 1.00 0.00 N ATOM 629 CA ALA A 40 -13.431 -2.425 0.440 1.00 0.00 C ATOM 630 C ALA A 40 -13.383 -3.859 -0.106 1.00 0.00 C ATOM 631 O ALA A 40 -14.398 -4.557 -0.125 1.00 0.00 O ATOM 632 CB ALA A 40 -14.400 -1.576 -0.373 1.00 0.00 C ATOM 0 H ALA A 40 -11.847 -1.377 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.782 -2.475 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.385 -2.042 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.467 -0.580 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.042 -1.497 -1.400 1.00 0.00 H new ATOM 638 N ASN A 41 -12.197 -4.290 -0.550 1.00 0.00 N ATOM 639 CA ASN A 41 -12.000 -5.633 -1.091 1.00 0.00 C ATOM 640 C ASN A 41 -12.230 -6.708 -0.026 1.00 0.00 C ATOM 641 O ASN A 41 -12.617 -7.836 -0.341 1.00 0.00 O ATOM 642 CB ASN A 41 -10.580 -5.761 -1.651 1.00 0.00 C ATOM 643 CG ASN A 41 -10.467 -6.811 -2.740 1.00 0.00 C ATOM 644 OD1 ASN A 41 -11.372 -7.618 -2.933 1.00 0.00 O ATOM 645 ND2 ASN A 41 -9.352 -6.804 -3.463 1.00 0.00 N ATOM 0 H ASN A 41 -11.352 -3.718 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 41 -12.729 -5.784 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.264 -4.797 -2.049 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.896 -6.011 -0.840 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.225 -7.486 -4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.624 -6.116 -3.271 1.00 0.00 H new ATOM 652 N GLY A 42 -11.975 -6.352 1.234 1.00 0.00 N ATOM 653 CA GLY A 42 -12.144 -7.288 2.331 1.00 0.00 C ATOM 654 C GLY A 42 -11.179 -7.015 3.474 1.00 0.00 C ATOM 655 O GLY A 42 -11.484 -7.312 4.631 1.00 0.00 O ATOM 0 H GLY A 42 -11.652 -5.425 1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.168 -7.230 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.994 -8.304 1.966 1.00 0.00 H new ATOM 659 N GLY A 43 -10.018 -6.440 3.152 1.00 0.00 N ATOM 660 CA GLY A 43 -9.029 -6.131 4.170 1.00 0.00 C ATOM 661 C GLY A 43 -9.254 -4.764 4.786 1.00 0.00 C ATOM 662 O GLY A 43 -10.389 -4.392 5.087 1.00 0.00 O ATOM 0 H GLY A 43 -9.747 -6.184 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.064 -6.890 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.032 -6.171 3.731 1.00 0.00 H new ATOM 666 N GLU A 44 -8.171 -4.014 4.969 1.00 0.00 N ATOM 667 CA GLU A 44 -8.248 -2.679 5.549 1.00 0.00 C ATOM 668 C GLU A 44 -6.955 -1.914 5.296 1.00 0.00 C ATOM 669 O GLU A 44 -5.882 -2.352 5.708 1.00 0.00 O ATOM 670 CB GLU A 44 -8.513 -2.762 7.055 1.00 0.00 C ATOM 671 CG GLU A 44 -8.607 -1.404 7.732 1.00 0.00 C ATOM 672 CD GLU A 44 -9.185 -1.487 9.130 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.427 -1.454 9.261 1.00 0.00 O ATOM 674 OE2 GLU A 44 -8.397 -1.588 10.094 1.00 0.00 O ATOM 0 H GLU A 44 -7.227 -4.311 4.723 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.073 -2.149 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.442 -3.307 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.716 -3.338 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.614 -0.957 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.226 -0.742 7.126 1.00 0.00 H new ATOM 681 N VAL A 45 -7.064 -0.773 4.622 1.00 0.00 N ATOM 682 CA VAL A 45 -5.901 0.053 4.320 1.00 0.00 C ATOM 683 C VAL A 45 -6.140 1.505 4.732 1.00 0.00 C ATOM 684 O VAL A 45 -7.129 2.122 4.330 1.00 0.00 O ATOM 685 CB VAL A 45 -5.529 -0.009 2.821 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.668 0.506 1.953 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.249 0.769 2.557 1.00 0.00 C ATOM 0 H VAL A 45 -7.947 -0.400 4.274 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.067 -0.349 4.896 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.356 -1.052 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.379 0.451 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.556 -0.105 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.886 1.541 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.002 0.714 1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.391 1.811 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.435 0.340 3.141 1.00 0.00 H new ATOM 697 N LEU A 46 -5.226 2.040 5.538 1.00 0.00 N ATOM 698 CA LEU A 46 -5.325 3.419 6.013 1.00 0.00 C ATOM 699 C LEU A 46 -4.315 4.298 5.286 1.00 0.00 C ATOM 700 O LEU A 46 -3.136 4.309 5.638 1.00 0.00 O ATOM 701 CB LEU A 46 -5.083 3.496 7.530 1.00 0.00 C ATOM 702 CG LEU A 46 -5.716 2.374 8.365 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.104 2.337 9.760 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.226 2.551 8.452 1.00 0.00 C ATOM 0 H LEU A 46 -4.405 1.538 5.877 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.333 3.778 5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.008 3.493 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.463 4.451 7.892 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.511 1.425 7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.564 1.536 10.338 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.032 2.158 9.682 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.278 3.290 10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.653 1.745 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.454 3.509 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.654 2.527 7.450 1.00 0.00 H new ATOM 716 N ASP A 47 -4.774 5.028 4.270 1.00 0.00 N ATOM 717 CA ASP A 47 -3.887 5.900 3.499 1.00 0.00 C ATOM 718 C ASP A 47 -3.602 7.197 4.260 1.00 0.00 C ATOM 719 O ASP A 47 -4.492 8.027 4.457 1.00 0.00 O ATOM 720 CB ASP A 47 -4.479 6.198 2.110 1.00 0.00 C ATOM 721 CG ASP A 47 -5.808 6.922 2.179 1.00 0.00 C ATOM 722 OD1 ASP A 47 -6.845 6.244 2.349 1.00 0.00 O ATOM 723 OD2 ASP A 47 -5.811 8.163 2.067 1.00 0.00 O ATOM 0 H ASP A 47 -5.747 5.034 3.963 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.941 5.377 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.772 6.801 1.541 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.609 5.262 1.567 1.00 0.00 H new ATOM 728 N SER A 48 -2.356 7.358 4.696 1.00 0.00 N ATOM 729 CA SER A 48 -1.949 8.544 5.438 1.00 0.00 C ATOM 730 C SER A 48 -0.585 9.031 4.971 1.00 0.00 C ATOM 731 O SER A 48 0.384 8.269 4.959 1.00 0.00 O ATOM 732 CB SER A 48 -1.913 8.251 6.938 1.00 0.00 C ATOM 733 OG SER A 48 -2.622 9.235 7.671 1.00 0.00 O ATOM 0 H SER A 48 -1.610 6.679 4.547 1.00 0.00 H new ATOM 0 HA SER A 48 -2.682 9.328 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.346 7.269 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.878 8.215 7.279 1.00 0.00 H new ATOM 0 HG SER A 48 -2.584 9.022 8.627 1.00 0.00 H new ATOM 739 N LYS A 49 -0.515 10.304 4.591 1.00 0.00 N ATOM 740 CA LYS A 49 0.736 10.896 4.127 1.00 0.00 C ATOM 741 C LYS A 49 1.763 10.932 5.259 1.00 0.00 C ATOM 742 O LYS A 49 1.393 10.985 6.435 1.00 0.00 O ATOM 743 CB LYS A 49 0.494 12.315 3.601 1.00 0.00 C ATOM 744 CG LYS A 49 -0.561 12.398 2.509 1.00 0.00 C ATOM 745 CD LYS A 49 -0.893 13.843 2.166 1.00 0.00 C ATOM 746 CE LYS A 49 0.247 14.522 1.416 1.00 0.00 C ATOM 747 NZ LYS A 49 1.232 15.156 2.339 1.00 0.00 N ATOM 0 H LYS A 49 -1.309 10.945 4.595 1.00 0.00 H new ATOM 0 HA LYS A 49 1.125 10.280 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.193 12.953 4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.433 12.714 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.204 11.883 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.465 11.883 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.797 13.874 1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.105 14.395 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.757 13.788 0.792 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.161 15.280 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.458 16.113 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.825 15.213 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.100 14.584 2.366 1.00 0.00 H new ATOM 761 N PRO A 50 3.069 10.905 4.925 1.00 0.00 N ATOM 762 CA PRO A 50 4.143 10.939 5.927 1.00 0.00 C ATOM 763 C PRO A 50 4.147 12.247 6.717 1.00 0.00 C ATOM 764 O PRO A 50 4.825 13.208 6.347 1.00 0.00 O ATOM 765 CB PRO A 50 5.424 10.796 5.094 1.00 0.00 C ATOM 766 CG PRO A 50 5.043 11.226 3.720 1.00 0.00 C ATOM 767 CD PRO A 50 3.600 10.842 3.550 1.00 0.00 C ATOM 0 HA PRO A 50 4.030 10.156 6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.226 11.417 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.785 9.768 5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.178 12.301 3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.667 10.738 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.077 11.529 2.885 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.497 9.844 3.124 1.00 0.00 H new ATOM 775 N ARG A 51 3.375 12.278 7.803 1.00 0.00 N ATOM 776 CA ARG A 51 3.277 13.467 8.644 1.00 0.00 C ATOM 777 C ARG A 51 4.361 13.467 9.717 1.00 0.00 C ATOM 778 O ARG A 51 5.340 14.208 9.619 1.00 0.00 O ATOM 779 CB ARG A 51 1.895 13.547 9.302 1.00 0.00 C ATOM 780 CG ARG A 51 0.821 14.124 8.395 1.00 0.00 C ATOM 781 CD ARG A 51 0.680 15.628 8.581 1.00 0.00 C ATOM 782 NE ARG A 51 1.684 16.377 7.822 1.00 0.00 N ATOM 783 CZ ARG A 51 1.783 17.710 7.819 1.00 0.00 C ATOM 784 NH1 ARG A 51 0.935 18.451 8.528 1.00 0.00 N ATOM 785 NH2 ARG A 51 2.734 18.304 7.104 1.00 0.00 N ATOM 0 H ARG A 51 2.808 11.491 8.120 1.00 0.00 H new ATOM 0 HA ARG A 51 3.419 14.340 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.594 12.548 9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.965 14.158 10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.066 13.907 7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.133 13.640 8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.316 15.939 8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.771 15.871 9.640 1.00 0.00 H new ATOM 0 HE ARG A 51 2.350 15.848 7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.203 18.002 9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.017 19.468 8.521 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.388 17.742 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.810 19.321 7.101 1.00 0.00 H new ATOM 799 N GLU A 52 4.181 12.629 10.737 1.00 0.00 N ATOM 800 CA GLU A 52 5.146 12.533 11.823 1.00 0.00 C ATOM 801 C GLU A 52 6.198 11.473 11.513 1.00 0.00 C ATOM 802 O GLU A 52 5.870 10.311 11.265 1.00 0.00 O ATOM 803 CB GLU A 52 4.438 12.201 13.139 1.00 0.00 C ATOM 804 CG GLU A 52 5.171 12.709 14.371 1.00 0.00 C ATOM 805 CD GLU A 52 4.226 13.186 15.459 1.00 0.00 C ATOM 806 OE1 GLU A 52 3.542 12.335 16.066 1.00 0.00 O ATOM 807 OE2 GLU A 52 4.176 14.408 15.708 1.00 0.00 O ATOM 0 H GLU A 52 3.376 12.009 10.831 1.00 0.00 H new ATOM 0 HA GLU A 52 5.643 13.498 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.436 12.629 13.121 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.321 11.120 13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.803 11.914 14.767 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.831 13.527 14.084 1.00 0.00 H new ATOM 814 N SER A 53 7.461 11.887 11.528 1.00 0.00 N ATOM 815 CA SER A 53 8.568 10.979 11.246 1.00 0.00 C ATOM 816 C SER A 53 9.271 10.560 12.538 1.00 0.00 C ATOM 817 O SER A 53 10.123 11.279 13.062 1.00 0.00 O ATOM 818 CB SER A 53 9.562 11.635 10.276 1.00 0.00 C ATOM 819 OG SER A 53 10.255 12.714 10.883 1.00 0.00 O ATOM 0 H SER A 53 7.744 12.845 11.732 1.00 0.00 H new ATOM 0 HA SER A 53 8.165 10.082 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.279 10.890 9.931 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.028 11.995 9.396 1.00 0.00 H new ATOM 0 HG SER A 53 10.265 12.591 11.855 1.00 0.00 H new ATOM 825 N LYS A 54 8.898 9.390 13.053 1.00 0.00 N ATOM 826 CA LYS A 54 9.484 8.869 14.286 1.00 0.00 C ATOM 827 C LYS A 54 9.825 7.385 14.152 1.00 0.00 C ATOM 828 O LYS A 54 9.899 6.667 15.152 1.00 0.00 O ATOM 829 CB LYS A 54 8.510 9.075 15.450 1.00 0.00 C ATOM 830 CG LYS A 54 7.249 8.229 15.345 1.00 0.00 C ATOM 831 CD LYS A 54 6.301 8.480 16.506 1.00 0.00 C ATOM 832 CE LYS A 54 5.434 9.707 16.263 1.00 0.00 C ATOM 833 NZ LYS A 54 5.889 10.884 17.056 1.00 0.00 N ATOM 0 H LYS A 54 8.192 8.784 12.635 1.00 0.00 H new ATOM 0 HA LYS A 54 10.408 9.414 14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.019 8.840 16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.229 10.127 15.496 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.740 8.450 14.407 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.521 7.174 15.320 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.665 7.607 16.653 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.875 8.614 17.423 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.451 9.957 15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.400 9.476 16.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.093 11.540 17.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.236 10.565 17.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.655 11.370 16.548 1.00 0.00 H new ATOM 847 N GLU A 55 10.022 6.927 12.914 1.00 0.00 N ATOM 848 CA GLU A 55 10.340 5.525 12.644 1.00 0.00 C ATOM 849 C GLU A 55 9.206 4.595 13.096 1.00 0.00 C ATOM 850 O GLU A 55 9.416 3.395 13.291 1.00 0.00 O ATOM 851 CB GLU A 55 11.654 5.134 13.326 1.00 0.00 C ATOM 852 CG GLU A 55 12.529 4.221 12.474 1.00 0.00 C ATOM 853 CD GLU A 55 13.959 4.113 12.982 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.175 4.252 14.207 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.863 3.882 12.153 1.00 0.00 O ATOM 0 H GLU A 55 9.966 7.511 12.079 1.00 0.00 H new ATOM 0 HA GLU A 55 10.454 5.412 11.566 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.212 6.038 13.568 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.431 4.635 14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.085 3.226 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.542 4.594 11.450 1.00 0.00 H new ATOM 862 N ASN A 56 8.002 5.151 13.248 1.00 0.00 N ATOM 863 CA ASN A 56 6.834 4.372 13.665 1.00 0.00 C ATOM 864 C ASN A 56 5.807 4.261 12.534 1.00 0.00 C ATOM 865 O ASN A 56 4.811 3.546 12.662 1.00 0.00 O ATOM 866 CB ASN A 56 6.183 5.003 14.899 1.00 0.00 C ATOM 867 CG ASN A 56 6.861 4.584 16.188 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.246 3.961 17.053 1.00 0.00 O ATOM 869 ND2 ASN A 56 8.139 4.924 16.328 1.00 0.00 N ATOM 0 H ASN A 56 7.810 6.140 13.088 1.00 0.00 H new ATOM 0 HA ASN A 56 7.177 3.368 13.915 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.218 6.089 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.131 4.720 14.936 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.645 4.668 17.176 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.613 5.441 15.587 1.00 0.00 H new ATOM 876 N VAL A 57 6.055 4.970 11.431 1.00 0.00 N ATOM 877 CA VAL A 57 5.157 4.948 10.279 1.00 0.00 C ATOM 878 C VAL A 57 5.723 4.066 9.161 1.00 0.00 C ATOM 879 O VAL A 57 6.825 4.309 8.664 1.00 0.00 O ATOM 880 CB VAL A 57 4.881 6.377 9.740 1.00 0.00 C ATOM 881 CG1 VAL A 57 3.945 7.125 10.678 1.00 0.00 C ATOM 882 CG2 VAL A 57 6.173 7.163 9.551 1.00 0.00 C ATOM 0 H VAL A 57 6.873 5.568 11.313 1.00 0.00 H new ATOM 0 HA VAL A 57 4.211 4.525 10.617 1.00 0.00 H new ATOM 0 HB VAL A 57 4.404 6.276 8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.761 8.126 10.287 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.001 6.586 10.756 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.402 7.200 11.665 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.941 8.159 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.689 7.249 10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.814 6.644 8.838 1.00 0.00 H new ATOM 892 N PHE A 58 4.957 3.045 8.770 1.00 0.00 N ATOM 893 CA PHE A 58 5.367 2.122 7.706 1.00 0.00 C ATOM 894 C PHE A 58 4.153 1.628 6.920 1.00 0.00 C ATOM 895 O PHE A 58 3.061 1.492 7.471 1.00 0.00 O ATOM 896 CB PHE A 58 6.140 0.911 8.266 1.00 0.00 C ATOM 897 CG PHE A 58 6.360 0.938 9.757 1.00 0.00 C ATOM 898 CD1 PHE A 58 5.326 0.638 10.630 1.00 0.00 C ATOM 899 CD2 PHE A 58 7.600 1.270 10.282 1.00 0.00 C ATOM 900 CE1 PHE A 58 5.524 0.669 11.999 1.00 0.00 C ATOM 901 CE2 PHE A 58 7.804 1.300 11.648 1.00 0.00 C ATOM 902 CZ PHE A 58 6.764 1.001 12.507 1.00 0.00 C ATOM 0 H PHE A 58 4.045 2.835 9.176 1.00 0.00 H new ATOM 0 HA PHE A 58 6.030 2.677 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.598 0.001 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.109 0.855 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.354 0.377 10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.416 1.508 9.615 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.710 0.434 12.669 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.775 1.557 12.044 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.921 1.027 13.575 1.00 0.00 H new ATOM 912 N ILE A 59 4.353 1.362 5.632 1.00 0.00 N ATOM 913 CA ILE A 59 3.280 0.878 4.769 1.00 0.00 C ATOM 914 C ILE A 59 3.418 -0.627 4.510 1.00 0.00 C ATOM 915 O ILE A 59 4.386 -1.072 3.894 1.00 0.00 O ATOM 916 CB ILE A 59 3.255 1.647 3.424 1.00 0.00 C ATOM 917 CG1 ILE A 59 2.291 0.984 2.433 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.653 1.742 2.830 1.00 0.00 C ATOM 919 CD1 ILE A 59 2.239 1.666 1.082 1.00 0.00 C ATOM 0 H ILE A 59 5.251 1.474 5.162 1.00 0.00 H new ATOM 0 HA ILE A 59 2.338 1.057 5.288 1.00 0.00 H new ATOM 0 HB ILE A 59 2.898 2.658 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.586 -0.056 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.290 0.976 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.611 2.286 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.308 2.269 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.042 0.739 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.536 1.140 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.914 2.699 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.230 1.651 0.628 1.00 0.00 H new ATOM 931 N VAL A 60 2.441 -1.401 4.990 1.00 0.00 N ATOM 932 CA VAL A 60 2.447 -2.854 4.818 1.00 0.00 C ATOM 933 C VAL A 60 1.593 -3.273 3.615 1.00 0.00 C ATOM 934 O VAL A 60 0.644 -2.580 3.243 1.00 0.00 O ATOM 935 CB VAL A 60 1.952 -3.588 6.097 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.381 -2.841 7.354 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.439 -3.779 6.086 1.00 0.00 C ATOM 0 H VAL A 60 1.634 -1.043 5.502 1.00 0.00 H new ATOM 0 HA VAL A 60 3.481 -3.146 4.635 1.00 0.00 H new ATOM 0 HB VAL A 60 2.415 -4.575 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.023 -3.374 8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.469 -2.777 7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.959 -1.836 7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.131 -4.295 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.050 -2.806 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.153 -4.372 5.217 1.00 0.00 H new ATOM 947 N SER A 61 1.941 -4.413 3.014 1.00 0.00 N ATOM 948 CA SER A 61 1.214 -4.935 1.856 1.00 0.00 C ATOM 949 C SER A 61 0.276 -6.072 2.269 1.00 0.00 C ATOM 950 O SER A 61 0.444 -6.665 3.335 1.00 0.00 O ATOM 951 CB SER A 61 2.211 -5.408 0.777 1.00 0.00 C ATOM 952 OG SER A 61 1.794 -6.615 0.158 1.00 0.00 O ATOM 0 H SER A 61 2.725 -4.994 3.312 1.00 0.00 H new ATOM 0 HA SER A 61 0.602 -4.135 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.320 -4.632 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.192 -5.553 1.229 1.00 0.00 H new ATOM 0 HG SER A 61 2.169 -7.379 0.645 1.00 0.00 H new ATOM 958 N PRO A 62 -0.725 -6.400 1.422 1.00 0.00 N ATOM 959 CA PRO A 62 -1.685 -7.476 1.701 1.00 0.00 C ATOM 960 C PRO A 62 -0.997 -8.804 2.016 1.00 0.00 C ATOM 961 O PRO A 62 -0.077 -9.216 1.307 1.00 0.00 O ATOM 962 CB PRO A 62 -2.505 -7.593 0.405 1.00 0.00 C ATOM 963 CG PRO A 62 -1.739 -6.827 -0.623 1.00 0.00 C ATOM 964 CD PRO A 62 -0.994 -5.759 0.125 1.00 0.00 C ATOM 0 HA PRO A 62 -2.291 -7.251 2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.625 -8.635 0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.506 -7.182 0.536 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.051 -7.478 -1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.409 -6.390 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.073 -5.475 -0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.589 -4.853 0.237 1.00 0.00 H new ATOM 972 N TYR A 63 -1.452 -9.457 3.093 1.00 0.00 N ATOM 973 CA TYR A 63 -0.898 -10.744 3.538 1.00 0.00 C ATOM 974 C TYR A 63 0.355 -10.570 4.412 1.00 0.00 C ATOM 975 O TYR A 63 0.669 -11.446 5.220 1.00 0.00 O ATOM 976 CB TYR A 63 -0.583 -11.652 2.342 1.00 0.00 C ATOM 977 CG TYR A 63 -0.908 -13.109 2.580 1.00 0.00 C ATOM 978 CD1 TYR A 63 -0.051 -13.921 3.313 1.00 0.00 C ATOM 979 CD2 TYR A 63 -2.068 -13.674 2.066 1.00 0.00 C ATOM 980 CE1 TYR A 63 -0.343 -15.254 3.528 1.00 0.00 C ATOM 981 CE2 TYR A 63 -2.368 -15.006 2.278 1.00 0.00 C ATOM 982 CZ TYR A 63 -1.502 -15.792 3.008 1.00 0.00 C ATOM 983 OH TYR A 63 -1.795 -17.122 3.215 1.00 0.00 O ATOM 0 H TYR A 63 -2.212 -9.110 3.679 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.665 -11.217 4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.142 -11.302 1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.475 -11.561 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.858 -13.503 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.747 -13.062 1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.333 -15.872 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.276 -15.429 1.874 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.647 -17.340 2.784 1.00 0.00 H new ATOM 993 N ASN A 64 1.062 -9.448 4.255 1.00 0.00 N ATOM 994 CA ASN A 64 2.267 -9.187 5.043 1.00 0.00 C ATOM 995 C ASN A 64 1.912 -8.878 6.497 1.00 0.00 C ATOM 996 O ASN A 64 1.501 -7.762 6.825 1.00 0.00 O ATOM 997 CB ASN A 64 3.066 -8.026 4.438 1.00 0.00 C ATOM 998 CG ASN A 64 3.825 -8.431 3.187 1.00 0.00 C ATOM 999 OD1 ASN A 64 3.193 -8.269 2.028 1.00 0.00 O flip ATOM 1000 ND2 ASN A 64 4.966 -8.884 3.260 1.00 0.00 N flip ATOM 0 H ASN A 64 0.822 -8.710 3.593 1.00 0.00 H new ATOM 0 HA ASN A 64 2.883 -10.086 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.387 -7.208 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.770 -7.648 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.415 -8.992 4.170 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.464 -9.152 2.411 1.00 0.00 H new ATOM 1007 N HIS A 65 2.076 -9.878 7.362 1.00 0.00 N ATOM 1008 CA HIS A 65 1.779 -9.731 8.789 1.00 0.00 C ATOM 1009 C HIS A 65 2.997 -9.214 9.552 1.00 0.00 C ATOM 1010 O HIS A 65 4.070 -9.032 8.973 1.00 0.00 O ATOM 1011 CB HIS A 65 1.321 -11.068 9.390 1.00 0.00 C ATOM 1012 CG HIS A 65 2.198 -12.236 9.037 1.00 0.00 C ATOM 1013 ND1 HIS A 65 3.563 -12.260 9.262 1.00 0.00 N ATOM 1014 CD2 HIS A 65 1.895 -13.427 8.469 1.00 0.00 C ATOM 1015 CE1 HIS A 65 4.054 -13.415 8.847 1.00 0.00 C ATOM 1016 NE2 HIS A 65 3.063 -14.140 8.364 1.00 0.00 N ATOM 0 H HIS A 65 2.415 -10.804 7.099 1.00 0.00 H new ATOM 0 HA HIS A 65 0.972 -9.004 8.885 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.283 -10.972 10.475 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.305 -11.276 9.053 1.00 0.00 H new ATOM 0 HD1 HIS A 65 4.105 -11.505 9.682 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.915 -13.755 8.156 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.091 -13.714 8.895 1.00 0.00 H new ATOM 1025 N THR A 66 2.817 -8.983 10.857 1.00 0.00 N ATOM 1026 CA THR A 66 3.888 -8.488 11.733 1.00 0.00 C ATOM 1027 C THR A 66 4.069 -6.968 11.624 1.00 0.00 C ATOM 1028 O THR A 66 4.622 -6.345 12.531 1.00 0.00 O ATOM 1029 CB THR A 66 5.220 -9.195 11.429 1.00 0.00 C ATOM 1030 OG1 THR A 66 5.018 -10.572 11.143 1.00 0.00 O ATOM 1031 CG2 THR A 66 6.219 -9.107 12.565 1.00 0.00 C ATOM 0 H THR A 66 1.929 -9.133 11.336 1.00 0.00 H new ATOM 0 HA THR A 66 3.587 -8.717 12.755 1.00 0.00 H new ATOM 0 HB THR A 66 5.625 -8.671 10.563 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.880 -10.996 10.952 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.136 -9.626 12.284 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.443 -8.061 12.772 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.798 -9.571 13.457 1.00 0.00 H new ATOM 1039 N ASN A 67 3.601 -6.375 10.517 1.00 0.00 N ATOM 1040 CA ASN A 67 3.715 -4.933 10.298 1.00 0.00 C ATOM 1041 C ASN A 67 5.156 -4.449 10.483 1.00 0.00 C ATOM 1042 O ASN A 67 5.397 -3.314 10.901 1.00 0.00 O ATOM 1043 CB ASN A 67 2.764 -4.188 11.236 1.00 0.00 C ATOM 1044 CG ASN A 67 1.453 -3.835 10.558 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.970 -2.709 10.668 1.00 0.00 O ATOM 1046 ND2 ASN A 67 0.869 -4.798 9.849 1.00 0.00 N ATOM 0 H ASN A 67 3.139 -6.877 9.759 1.00 0.00 H new ATOM 0 HA ASN A 67 3.433 -4.720 9.267 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.564 -4.804 12.113 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.245 -3.276 11.590 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.013 -4.616 9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.304 -5.718 9.784 1.00 0.00 H new ATOM 1053 N LEU A 68 6.109 -5.322 10.160 1.00 0.00 N ATOM 1054 CA LEU A 68 7.529 -5.000 10.278 1.00 0.00 C ATOM 1055 C LEU A 68 8.091 -4.502 8.944 1.00 0.00 C ATOM 1056 O LEU A 68 8.673 -3.418 8.882 1.00 0.00 O ATOM 1057 CB LEU A 68 8.320 -6.220 10.767 1.00 0.00 C ATOM 1058 CG LEU A 68 9.241 -5.961 11.963 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.843 -7.267 12.462 1.00 0.00 C ATOM 1060 CD2 LEU A 68 10.339 -4.974 11.590 1.00 0.00 C ATOM 0 H LEU A 68 5.921 -6.263 9.813 1.00 0.00 H new ATOM 0 HA LEU A 68 7.632 -4.200 11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.615 -7.007 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.921 -6.599 9.941 1.00 0.00 H new ATOM 0 HG LEU A 68 8.648 -5.525 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.495 -7.066 13.312 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.044 -7.942 12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.422 -7.730 11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.983 -4.803 12.453 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.931 -5.381 10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.890 -4.031 11.280 1.00 0.00 H new ATOM 1072 N PRO A 69 7.920 -5.284 7.850 1.00 0.00 N ATOM 1073 CA PRO A 69 8.410 -4.906 6.516 1.00 0.00 C ATOM 1074 C PRO A 69 7.666 -3.698 5.948 1.00 0.00 C ATOM 1075 O PRO A 69 6.842 -3.086 6.632 1.00 0.00 O ATOM 1076 CB PRO A 69 8.146 -6.153 5.654 1.00 0.00 C ATOM 1077 CG PRO A 69 7.837 -7.251 6.615 1.00 0.00 C ATOM 1078 CD PRO A 69 7.240 -6.591 7.822 1.00 0.00 C ATOM 0 HA PRO A 69 9.460 -4.613 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.314 -5.987 4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.016 -6.399 5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.141 -7.967 6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.739 -7.803 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.159 -6.483 7.731 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.427 -7.164 8.730 1.00 0.00 H new ATOM 1086 N THR A 70 7.958 -3.353 4.694 1.00 0.00 N ATOM 1087 CA THR A 70 7.314 -2.213 4.042 1.00 0.00 C ATOM 1088 C THR A 70 7.210 -2.440 2.534 1.00 0.00 C ATOM 1089 O THR A 70 7.917 -3.275 1.977 1.00 0.00 O ATOM 1090 CB THR A 70 8.096 -0.923 4.338 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.503 -0.874 5.697 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.306 0.334 4.057 1.00 0.00 C ATOM 0 H THR A 70 8.635 -3.845 4.111 1.00 0.00 H new ATOM 0 HA THR A 70 6.305 -2.111 4.441 1.00 0.00 H new ATOM 0 HB THR A 70 8.956 -0.955 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.000 -0.045 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.917 1.207 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.022 0.357 3.005 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.409 0.346 4.676 1.00 0.00 H new ATOM 1100 N VAL A 71 6.315 -1.702 1.876 1.00 0.00 N ATOM 1101 CA VAL A 71 6.128 -1.846 0.435 1.00 0.00 C ATOM 1102 C VAL A 71 5.641 -0.546 -0.207 1.00 0.00 C ATOM 1103 O VAL A 71 5.094 0.324 0.467 1.00 0.00 O ATOM 1104 CB VAL A 71 5.138 -2.986 0.123 1.00 0.00 C ATOM 1105 CG1 VAL A 71 3.700 -2.559 0.392 1.00 0.00 C ATOM 1106 CG2 VAL A 71 5.310 -3.465 -1.310 1.00 0.00 C ATOM 0 H VAL A 71 5.714 -1.005 2.315 1.00 0.00 H new ATOM 0 HA VAL A 71 7.101 -2.090 0.009 1.00 0.00 H new ATOM 0 HB VAL A 71 5.361 -3.819 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.026 -3.385 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.592 -2.284 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.451 -1.703 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.603 -4.270 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.124 -2.638 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.327 -3.831 -1.452 1.00 0.00 H new ATOM 1116 N THR A 72 5.848 -0.426 -1.518 1.00 0.00 N ATOM 1117 CA THR A 72 5.433 0.762 -2.258 1.00 0.00 C ATOM 1118 C THR A 72 3.911 0.826 -2.414 1.00 0.00 C ATOM 1119 O THR A 72 3.228 -0.200 -2.358 1.00 0.00 O ATOM 1120 CB THR A 72 6.099 0.785 -3.640 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.223 -0.525 -4.167 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.482 1.402 -3.623 1.00 0.00 C ATOM 0 H THR A 72 6.302 -1.139 -2.089 1.00 0.00 H new ATOM 0 HA THR A 72 5.751 1.634 -1.687 1.00 0.00 H new ATOM 0 HB THR A 72 5.446 1.397 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.649 -0.484 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.899 1.388 -4.630 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.417 2.432 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.127 0.831 -2.956 1.00 0.00 H new ATOM 1130 N PRO A 73 3.363 2.040 -2.624 1.00 0.00 N ATOM 1131 CA PRO A 73 1.918 2.247 -2.801 1.00 0.00 C ATOM 1132 C PRO A 73 1.421 1.765 -4.163 1.00 0.00 C ATOM 1133 O PRO A 73 0.302 1.260 -4.282 1.00 0.00 O ATOM 1134 CB PRO A 73 1.768 3.762 -2.693 1.00 0.00 C ATOM 1135 CG PRO A 73 3.076 4.302 -3.152 1.00 0.00 C ATOM 1136 CD PRO A 73 4.115 3.307 -2.715 1.00 0.00 C ATOM 0 HA PRO A 73 1.334 1.687 -2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.949 4.125 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.550 4.067 -1.669 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.087 4.427 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.268 5.282 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.932 3.238 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.556 3.582 -1.757 1.00 0.00 H new ATOM 1144 N THR A 74 2.269 1.925 -5.184 1.00 0.00 N ATOM 1145 CA THR A 74 1.937 1.505 -6.551 1.00 0.00 C ATOM 1146 C THR A 74 1.566 0.018 -6.614 1.00 0.00 C ATOM 1147 O THR A 74 0.930 -0.422 -7.574 1.00 0.00 O ATOM 1148 CB THR A 74 3.107 1.797 -7.502 1.00 0.00 C ATOM 1149 OG1 THR A 74 2.779 1.435 -8.835 1.00 0.00 O ATOM 1150 CG2 THR A 74 4.392 1.083 -7.127 1.00 0.00 C ATOM 0 H THR A 74 3.194 2.344 -5.090 1.00 0.00 H new ATOM 0 HA THR A 74 1.067 2.080 -6.867 1.00 0.00 H new ATOM 0 HB THR A 74 3.278 2.870 -7.417 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.129 0.702 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.172 1.338 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.702 1.392 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.226 0.006 -7.139 1.00 0.00 H new ATOM 1158 N TYR A 75 1.955 -0.745 -5.582 1.00 0.00 N ATOM 1159 CA TYR A 75 1.649 -2.178 -5.512 1.00 0.00 C ATOM 1160 C TYR A 75 0.190 -2.448 -5.890 1.00 0.00 C ATOM 1161 O TYR A 75 -0.112 -3.425 -6.577 1.00 0.00 O ATOM 1162 CB TYR A 75 1.918 -2.698 -4.092 1.00 0.00 C ATOM 1163 CG TYR A 75 1.983 -4.207 -3.978 1.00 0.00 C ATOM 1164 CD1 TYR A 75 0.840 -4.989 -4.110 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.190 -4.849 -3.730 1.00 0.00 C ATOM 1166 CE1 TYR A 75 0.900 -6.365 -3.996 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.256 -6.223 -3.616 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.110 -6.978 -3.751 1.00 0.00 C ATOM 1169 OH TYR A 75 2.175 -8.349 -3.639 1.00 0.00 O ATOM 0 H TYR A 75 2.483 -0.391 -4.784 1.00 0.00 H new ATOM 0 HA TYR A 75 2.291 -2.699 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.859 -2.279 -3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.135 -2.329 -3.429 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.110 -4.513 -4.305 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.091 -4.263 -3.625 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.003 -6.957 -4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.203 -6.705 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 75 3.101 -8.620 -3.467 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.705 -1.566 -5.442 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.130 -1.697 -5.730 1.00 0.00 C ATOM 1181 C ILE A 76 -2.439 -1.366 -7.193 1.00 0.00 C ATOM 1182 O ILE A 76 -3.160 -2.108 -7.859 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.977 -0.787 -4.818 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.720 -1.116 -3.343 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.452 -0.937 -5.153 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.578 -0.320 -2.381 1.00 0.00 C ATOM 0 H ILE A 76 -0.465 -0.752 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.391 -2.737 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.686 0.249 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.899 -2.179 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.670 -0.931 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.040 -0.290 -4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.619 -0.656 -6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.755 -1.973 -5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.339 -0.608 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.382 0.744 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.631 -0.523 -2.579 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.887 -0.255 -7.691 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.105 0.152 -9.082 1.00 0.00 C ATOM 1200 C LYS A 77 -1.725 -0.977 -10.043 1.00 0.00 C ATOM 1201 O LYS A 77 -2.371 -1.164 -11.076 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.303 1.415 -9.409 1.00 0.00 C ATOM 1203 CG LYS A 77 -2.096 2.701 -9.229 1.00 0.00 C ATOM 1204 CD LYS A 77 -1.255 3.931 -9.543 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.526 5.066 -8.563 1.00 0.00 C ATOM 1206 NZ LYS A 77 -2.937 5.550 -8.628 1.00 0.00 N ATOM 0 H LYS A 77 -1.290 0.375 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.165 0.372 -9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.420 1.450 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.951 1.356 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.971 2.683 -9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.462 2.762 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.198 3.667 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.468 4.268 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.307 4.728 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.850 5.895 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.062 6.344 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.151 5.867 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.582 4.777 -8.366 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.686 -1.736 -9.685 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.232 -2.858 -10.503 1.00 0.00 C ATOM 1222 C ALA A 78 -1.012 -4.140 -10.187 1.00 0.00 C ATOM 1223 O ALA A 78 -1.025 -5.069 -10.991 1.00 0.00 O ATOM 1224 CB ALA A 78 1.260 -3.092 -10.310 1.00 0.00 C ATOM 0 H ALA A 78 -0.144 -1.592 -8.833 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.419 -2.599 -11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.579 -3.932 -10.927 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.809 -2.197 -10.602 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.461 -3.315 -9.262 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.659 -4.191 -9.018 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.431 -5.370 -8.623 1.00 0.00 C ATOM 1232 C CYS A 79 -3.868 -5.297 -9.145 1.00 0.00 C ATOM 1233 O CYS A 79 -4.490 -6.326 -9.406 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.435 -5.518 -7.101 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.800 -7.193 -6.519 1.00 0.00 S ATOM 0 H CYS A 79 -1.663 -3.434 -8.334 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.953 -6.243 -9.067 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.461 -5.216 -6.715 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.171 -4.832 -6.682 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.451 -8.054 -7.428 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.389 -4.082 -9.294 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.750 -3.886 -9.787 1.00 0.00 C ATOM 1243 C CYS A 80 -5.782 -3.817 -11.315 1.00 0.00 C ATOM 1244 O CYS A 80 -6.745 -4.256 -11.944 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.352 -2.609 -9.191 1.00 0.00 C ATOM 1246 SG CYS A 80 -8.127 -2.711 -8.866 1.00 0.00 S ATOM 0 H CYS A 80 -3.890 -3.218 -9.081 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.346 -4.743 -9.473 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.836 -2.377 -8.259 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.166 -1.780 -9.873 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.541 -1.586 -8.362 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.726 -3.253 -11.908 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.641 -3.117 -13.363 1.00 0.00 C ATOM 1254 C GLN A 81 -3.802 -4.230 -13.992 1.00 0.00 C ATOM 1255 O GLN A 81 -4.183 -4.793 -15.019 1.00 0.00 O ATOM 1256 CB GLN A 81 -4.054 -1.752 -13.733 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.856 -0.580 -13.193 1.00 0.00 C ATOM 1258 CD GLN A 81 -4.195 0.757 -13.468 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -3.468 1.287 -12.629 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -4.448 1.310 -14.649 1.00 0.00 N ATOM 0 H GLN A 81 -3.920 -2.884 -11.403 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.654 -3.199 -13.758 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.034 -1.689 -13.354 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.996 -1.673 -14.819 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.850 -0.588 -13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.989 -0.701 -12.118 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.057 0.835 -15.315 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.033 2.210 -14.890 1.00 0.00 H new ATOM 1269 N SER A 82 -2.654 -4.536 -13.382 1.00 0.00 N ATOM 1270 CA SER A 82 -1.762 -5.577 -13.902 1.00 0.00 C ATOM 1271 C SER A 82 -1.947 -6.916 -13.182 1.00 0.00 C ATOM 1272 O SER A 82 -1.392 -7.929 -13.611 1.00 0.00 O ATOM 1273 CB SER A 82 -0.302 -5.129 -13.781 1.00 0.00 C ATOM 1274 OG SER A 82 0.453 -5.542 -14.907 1.00 0.00 O ATOM 0 H SER A 82 -2.321 -4.081 -12.532 1.00 0.00 H new ATOM 0 HA SER A 82 -2.022 -5.726 -14.950 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.258 -4.044 -13.688 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.135 -5.545 -12.873 1.00 0.00 H new ATOM 0 HG SER A 82 1.264 -4.996 -14.975 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.714 -6.919 -12.085 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.953 -8.135 -11.305 1.00 0.00 C ATOM 1282 C ASN A 83 -1.689 -8.557 -10.548 1.00 0.00 C ATOM 1283 O ASN A 83 -1.628 -8.443 -9.323 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.447 -9.277 -12.200 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.719 -9.916 -11.672 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -5.667 -10.148 -12.421 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -4.749 -10.206 -10.372 1.00 0.00 N ATOM 0 H ASN A 83 -3.180 -6.089 -11.718 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.732 -7.913 -10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.625 -8.896 -13.206 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.668 -10.036 -12.280 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.579 -10.636 -9.964 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.942 -9.998 -9.784 1.00 0.00 H new ATOM 1294 N SER A 84 -0.684 -9.036 -11.283 1.00 0.00 N ATOM 1295 CA SER A 84 0.576 -9.466 -10.680 1.00 0.00 C ATOM 1296 C SER A 84 1.593 -9.842 -11.759 1.00 0.00 C ATOM 1297 O SER A 84 2.143 -10.947 -11.757 1.00 0.00 O ATOM 1298 CB SER A 84 0.339 -10.645 -9.729 1.00 0.00 C ATOM 1299 OG SER A 84 1.176 -10.555 -8.587 1.00 0.00 O ATOM 0 H SER A 84 -0.719 -9.135 -12.298 1.00 0.00 H new ATOM 0 HA SER A 84 0.982 -8.634 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.706 -10.661 -9.418 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.531 -11.582 -10.252 1.00 0.00 H new ATOM 0 HG SER A 84 1.005 -11.317 -7.995 1.00 0.00 H new ATOM 1305 N LEU A 85 1.841 -8.913 -12.680 1.00 0.00 N ATOM 1306 CA LEU A 85 2.790 -9.139 -13.767 1.00 0.00 C ATOM 1307 C LEU A 85 4.177 -8.593 -13.414 1.00 0.00 C ATOM 1308 O LEU A 85 5.191 -9.208 -13.748 1.00 0.00 O ATOM 1309 CB LEU A 85 2.279 -8.496 -15.061 1.00 0.00 C ATOM 1310 CG LEU A 85 3.092 -8.818 -16.319 1.00 0.00 C ATOM 1311 CD1 LEU A 85 2.965 -10.292 -16.684 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.647 -7.937 -17.477 1.00 0.00 C ATOM 0 H LEU A 85 1.397 -7.995 -12.695 1.00 0.00 H new ATOM 0 HA LEU A 85 2.880 -10.215 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.249 -8.814 -15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.261 -7.414 -14.927 1.00 0.00 H new ATOM 0 HG LEU A 85 4.142 -8.612 -16.111 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.551 -10.497 -17.580 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.335 -10.904 -15.861 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.918 -10.531 -16.872 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.234 -8.178 -18.364 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.591 -8.112 -17.682 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.797 -6.889 -17.216 1.00 0.00 H new ATOM 1324 N LEU A 86 4.216 -7.441 -12.737 1.00 0.00 N ATOM 1325 CA LEU A 86 5.483 -6.825 -12.344 1.00 0.00 C ATOM 1326 C LEU A 86 5.724 -6.964 -10.839 1.00 0.00 C ATOM 1327 O LEU A 86 5.331 -6.101 -10.050 1.00 0.00 O ATOM 1328 CB LEU A 86 5.520 -5.344 -12.759 1.00 0.00 C ATOM 1329 CG LEU A 86 4.348 -4.489 -12.265 1.00 0.00 C ATOM 1330 CD1 LEU A 86 4.833 -3.422 -11.293 1.00 0.00 C ATOM 1331 CD2 LEU A 86 3.623 -3.853 -13.443 1.00 0.00 C ATOM 0 H LEU A 86 3.387 -6.920 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 86 6.283 -7.352 -12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.447 -4.905 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.552 -5.291 -13.847 1.00 0.00 H new ATOM 0 HG LEU A 86 3.648 -5.136 -11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.985 -2.826 -10.954 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.307 -3.899 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.554 -2.776 -11.793 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.793 -3.249 -13.076 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.316 -3.220 -13.998 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.241 -4.634 -14.100 1.00 0.00 H new ATOM 1343 N ASN A 87 6.380 -8.056 -10.450 1.00 0.00 N ATOM 1344 CA ASN A 87 6.686 -8.310 -9.042 1.00 0.00 C ATOM 1345 C ASN A 87 8.040 -7.718 -8.656 1.00 0.00 C ATOM 1346 O ASN A 87 8.273 -7.410 -7.486 1.00 0.00 O ATOM 1347 CB ASN A 87 6.657 -9.809 -8.739 1.00 0.00 C ATOM 1348 CG ASN A 87 6.080 -10.108 -7.367 1.00 0.00 C ATOM 1349 OD1 ASN A 87 4.946 -10.571 -7.247 1.00 0.00 O ATOM 1350 ND2 ASN A 87 6.858 -9.842 -6.323 1.00 0.00 N ATOM 0 H ASN A 87 6.710 -8.779 -11.089 1.00 0.00 H new ATOM 0 HA ASN A 87 5.917 -7.821 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.065 -10.320 -9.499 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.669 -10.210 -8.800 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.521 -10.021 -5.377 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.792 -9.459 -6.468 1.00 0.00 H new ATOM 1357 N MET A 88 8.925 -7.545 -9.641 1.00 0.00 N ATOM 1358 CA MET A 88 10.244 -6.966 -9.391 1.00 0.00 C ATOM 1359 C MET A 88 10.106 -5.564 -8.791 1.00 0.00 C ATOM 1360 O MET A 88 10.987 -5.099 -8.066 1.00 0.00 O ATOM 1361 CB MET A 88 11.057 -6.907 -10.689 1.00 0.00 C ATOM 1362 CG MET A 88 12.491 -6.432 -10.498 1.00 0.00 C ATOM 1363 SD MET A 88 12.886 -4.986 -11.501 1.00 0.00 S ATOM 1364 CE MET A 88 12.905 -5.704 -13.141 1.00 0.00 C ATOM 0 H MET A 88 8.752 -7.797 -10.614 1.00 0.00 H new ATOM 0 HA MET A 88 10.770 -7.601 -8.678 1.00 0.00 H new ATOM 0 HB2 MET A 88 11.070 -7.898 -11.143 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.555 -6.241 -11.391 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.654 -6.195 -9.447 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.174 -7.242 -10.752 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.136 -4.931 -13.874 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.663 -6.486 -13.187 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.928 -6.133 -13.362 1.00 0.00 H new ATOM 1374 N GLU A 89 8.986 -4.901 -9.095 1.00 0.00 N ATOM 1375 CA GLU A 89 8.719 -3.557 -8.589 1.00 0.00 C ATOM 1376 C GLU A 89 8.098 -3.568 -7.198 1.00 0.00 C ATOM 1377 O GLU A 89 7.805 -2.504 -6.650 1.00 0.00 O ATOM 1378 CB GLU A 89 7.824 -2.789 -9.565 1.00 0.00 C ATOM 1379 CG GLU A 89 8.556 -1.724 -10.364 1.00 0.00 C ATOM 1380 CD GLU A 89 7.607 -0.822 -11.129 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.168 0.199 -10.559 1.00 0.00 O ATOM 1382 OE2 GLU A 89 7.299 -1.140 -12.298 1.00 0.00 O ATOM 0 H GLU A 89 8.249 -5.277 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 89 9.681 -3.051 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.366 -3.497 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.015 -2.318 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.163 -1.120 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.240 -2.204 -11.064 1.00 0.00 H new ATOM 1389 N ASN A 90 7.927 -4.757 -6.612 1.00 0.00 N ATOM 1390 CA ASN A 90 7.382 -4.853 -5.263 1.00 0.00 C ATOM 1391 C ASN A 90 8.104 -3.861 -4.357 1.00 0.00 C ATOM 1392 O ASN A 90 7.500 -3.267 -3.464 1.00 0.00 O ATOM 1393 CB ASN A 90 7.553 -6.274 -4.712 1.00 0.00 C ATOM 1394 CG ASN A 90 6.291 -7.114 -4.827 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.958 -7.872 -3.916 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.584 -6.994 -5.948 1.00 0.00 N ATOM 0 H ASN A 90 8.155 -5.651 -7.046 1.00 0.00 H new ATOM 0 HA ASN A 90 6.318 -4.620 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.362 -6.770 -5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.851 -6.218 -3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.733 -7.541 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.893 -6.355 -6.680 1.00 0.00 H new ATOM 1403 N TYR A 91 9.410 -3.680 -4.620 1.00 0.00 N ATOM 1404 CA TYR A 91 10.244 -2.762 -3.860 1.00 0.00 C ATOM 1405 C TYR A 91 9.988 -2.907 -2.363 1.00 0.00 C ATOM 1406 O TYR A 91 10.005 -1.929 -1.612 1.00 0.00 O ATOM 1407 CB TYR A 91 10.003 -1.325 -4.335 1.00 0.00 C ATOM 1408 CG TYR A 91 11.106 -0.368 -3.943 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.415 -0.602 -4.336 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.839 0.762 -3.183 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.431 0.261 -3.984 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.850 1.634 -2.826 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.144 1.379 -3.228 1.00 0.00 C ATOM 1414 OH TYR A 91 14.155 2.245 -2.874 1.00 0.00 O ATOM 0 H TYR A 91 9.906 -4.169 -5.365 1.00 0.00 H new ATOM 0 HA TYR A 91 11.291 -3.009 -4.033 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.899 -1.322 -5.420 1.00 0.00 H new ATOM 0 HB3 TYR A 91 9.059 -0.968 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.643 -1.476 -4.928 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.826 0.963 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.445 0.063 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.628 2.510 -2.235 1.00 0.00 H new ATOM 0 HH TYR A 91 13.784 2.981 -2.344 1.00 0.00 H new ATOM 1424 N LEU A 92 9.754 -4.149 -1.944 1.00 0.00 N ATOM 1425 CA LEU A 92 9.495 -4.450 -0.538 1.00 0.00 C ATOM 1426 C LEU A 92 10.725 -4.134 0.306 1.00 0.00 C ATOM 1427 O LEU A 92 11.793 -4.722 0.114 1.00 0.00 O ATOM 1428 CB LEU A 92 9.088 -5.916 -0.348 1.00 0.00 C ATOM 1429 CG LEU A 92 7.802 -6.143 0.457 1.00 0.00 C ATOM 1430 CD1 LEU A 92 6.663 -6.578 -0.456 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.035 -7.175 1.552 1.00 0.00 C ATOM 0 H LEU A 92 9.738 -4.963 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 92 8.666 -3.824 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.967 -6.372 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.904 -6.441 0.148 1.00 0.00 H new ATOM 0 HG LEU A 92 7.520 -5.200 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.761 -6.733 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.479 -5.805 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.933 -7.508 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.113 -7.324 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.343 -8.119 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.816 -6.822 2.225 1.00 0.00 H new ATOM 1443 N VAL A 93 10.562 -3.203 1.236 1.00 0.00 N ATOM 1444 CA VAL A 93 11.648 -2.794 2.120 1.00 0.00 C ATOM 1445 C VAL A 93 11.938 -3.880 3.158 1.00 0.00 C ATOM 1446 O VAL A 93 11.016 -4.421 3.770 1.00 0.00 O ATOM 1447 CB VAL A 93 11.328 -1.467 2.848 1.00 0.00 C ATOM 1448 CG1 VAL A 93 12.589 -0.864 3.450 1.00 0.00 C ATOM 1449 CG2 VAL A 93 10.657 -0.471 1.908 1.00 0.00 C ATOM 0 H VAL A 93 9.682 -2.713 1.399 1.00 0.00 H new ATOM 0 HA VAL A 93 12.527 -2.641 1.494 1.00 0.00 H new ATOM 0 HB VAL A 93 10.632 -1.691 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.340 0.068 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 93 13.020 -1.563 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.311 -0.665 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.444 0.452 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.321 -0.257 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.726 -0.895 1.533 1.00 0.00 H new ATOM 1459 N PRO A 94 13.228 -4.215 3.365 1.00 0.00 N ATOM 1460 CA PRO A 94 13.636 -5.244 4.331 1.00 0.00 C ATOM 1461 C PRO A 94 13.256 -4.883 5.766 1.00 0.00 C ATOM 1462 O PRO A 94 13.014 -3.715 6.079 1.00 0.00 O ATOM 1463 CB PRO A 94 15.162 -5.306 4.175 1.00 0.00 C ATOM 1464 CG PRO A 94 15.539 -4.005 3.555 1.00 0.00 C ATOM 1465 CD PRO A 94 14.387 -3.622 2.674 1.00 0.00 C ATOM 0 HA PRO A 94 13.140 -6.195 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.652 -5.441 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.461 -6.144 3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.718 -3.246 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.458 -4.099 2.977 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.292 -2.540 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.501 -4.019 1.665 1.00 0.00 H new ATOM 1473 N TYR A 95 13.211 -5.894 6.632 1.00 0.00 N ATOM 1474 CA TYR A 95 12.861 -5.695 8.038 1.00 0.00 C ATOM 1475 C TYR A 95 14.090 -5.858 8.941 1.00 0.00 C ATOM 1476 O TYR A 95 13.966 -6.234 10.110 1.00 0.00 O ATOM 1477 CB TYR A 95 11.759 -6.681 8.455 1.00 0.00 C ATOM 1478 CG TYR A 95 12.020 -8.119 8.041 1.00 0.00 C ATOM 1479 CD1 TYR A 95 12.945 -8.903 8.720 1.00 0.00 C ATOM 1480 CD2 TYR A 95 11.339 -8.687 6.971 1.00 0.00 C ATOM 1481 CE1 TYR A 95 13.185 -10.211 8.343 1.00 0.00 C ATOM 1482 CE2 TYR A 95 11.573 -9.995 6.590 1.00 0.00 C ATOM 1483 CZ TYR A 95 12.496 -10.752 7.279 1.00 0.00 C ATOM 1484 OH TYR A 95 12.732 -12.056 6.902 1.00 0.00 O ATOM 0 H TYR A 95 13.413 -6.862 6.384 1.00 0.00 H new ATOM 0 HA TYR A 95 12.489 -4.677 8.155 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.643 -6.642 9.538 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.813 -6.356 8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 95 13.485 -8.483 9.556 1.00 0.00 H new ATOM 0 HD2 TYR A 95 10.615 -8.097 6.428 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.909 -10.806 8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 95 11.035 -10.422 5.756 1.00 0.00 H new ATOM 0 HH TYR A 95 12.164 -12.283 6.136 1.00 0.00 H new ATOM 1494 N ASP A 96 15.273 -5.570 8.395 1.00 0.00 N ATOM 1495 CA ASP A 96 16.517 -5.684 9.149 1.00 0.00 C ATOM 1496 C ASP A 96 17.267 -4.352 9.158 1.00 0.00 C ATOM 1497 O ASP A 96 18.161 -4.121 8.340 1.00 0.00 O ATOM 1498 CB ASP A 96 17.398 -6.792 8.557 1.00 0.00 C ATOM 1499 CG ASP A 96 18.364 -7.376 9.572 1.00 0.00 C ATOM 1500 OD1 ASP A 96 17.900 -7.836 10.638 1.00 0.00 O ATOM 1501 OD2 ASP A 96 19.582 -7.379 9.297 1.00 0.00 O ATOM 0 H ASP A 96 15.393 -5.256 7.432 1.00 0.00 H new ATOM 0 HA ASP A 96 16.273 -5.945 10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.762 -7.587 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.961 -6.392 7.714 1.00 0.00 H new ATOM 1506 N ASN A 97 16.889 -3.478 10.090 1.00 0.00 N ATOM 1507 CA ASN A 97 17.516 -2.162 10.214 1.00 0.00 C ATOM 1508 C ASN A 97 18.879 -2.267 10.898 1.00 0.00 C ATOM 1509 O ASN A 97 18.957 -2.892 11.979 1.00 0.00 O ATOM 1510 CB ASN A 97 16.608 -1.205 10.995 1.00 0.00 C ATOM 1511 CG ASN A 97 16.663 0.216 10.462 1.00 0.00 C ATOM 1512 OD1 ASN A 97 15.654 0.765 10.021 1.00 0.00 O ATOM 1513 ND2 ASN A 97 17.847 0.823 10.499 1.00 0.00 N ATOM 0 H ASN A 97 16.151 -3.657 10.771 1.00 0.00 H new ATOM 0 HA ASN A 97 17.665 -1.766 9.210 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.581 -1.567 10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.901 -1.207 12.045 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.941 1.778 10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.660 0.333 10.873 1.00 0.00 H new TER 1520 ASN A 97