USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 64 LYS NZ :NH3+ -165:sc= -2.57 (180deg=-1.65!) USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= -4.46! C(o=-12!,f=-7!) USER MOD Set 2.1: A 18 TYR OH : rot 30:sc= 0.568 USER MOD Set 2.2: A 83 GLN :FLIP amide:sc= 0.632 F(o=0.4,f=1.2) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot -172:sc= -0.854! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -7:sc= 0.997 USER MOD Single : A 20 THR OG1 : rot 68:sc= 0.0061 USER MOD Single : A 22 GLN :FLIP amide:sc= -2.15! C(o=-6.3!,f=-2.2!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.667 F(o=-4.9!,f=-0.67) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -1.1 F(o=-8.1!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 51 SER OG : rot 87:sc= 1.17 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -4.36! C(o=-7.5!,f=-4.4!) USER MOD Single : A 68 THR OG1 : rot -24:sc= 0.185 USER MOD Single : A 69 ASN : amide:sc= -0.0875 K(o=-0.087,f=-1.8) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0984 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -33.428 -9.368 7.358 1.00 0.00 N ATOM 2 CA SER A 1 -33.977 -7.988 7.386 1.00 0.00 C ATOM 3 C SER A 1 -33.340 -7.127 6.297 1.00 0.00 C ATOM 4 O SER A 1 -32.364 -6.419 6.549 1.00 0.00 O ATOM 5 CB SER A 1 -33.734 -7.353 8.757 1.00 0.00 C ATOM 6 OG SER A 1 -34.350 -8.106 9.787 1.00 0.00 O ATOM 0 H1 SER A 1 -33.875 -9.935 8.106 1.00 0.00 H new ATOM 0 H2 SER A 1 -33.623 -9.801 6.433 1.00 0.00 H new ATOM 0 H3 SER A 1 -32.400 -9.336 7.515 1.00 0.00 H new ATOM 0 HA SER A 1 -35.050 -8.044 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 1 -32.662 -7.285 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 1 -34.124 -6.335 8.764 1.00 0.00 H new ATOM 0 HG SER A 1 -34.178 -7.679 10.652 1.00 0.00 H new ATOM 14 N PRO A 2 -33.882 -7.178 5.064 1.00 0.00 N ATOM 15 CA PRO A 2 -33.360 -6.397 3.940 1.00 0.00 C ATOM 16 C PRO A 2 -33.753 -4.928 4.020 1.00 0.00 C ATOM 17 O PRO A 2 -34.524 -4.435 3.194 1.00 0.00 O ATOM 18 CB PRO A 2 -34.010 -7.057 2.725 1.00 0.00 C ATOM 19 CG PRO A 2 -35.300 -7.595 3.240 1.00 0.00 C ATOM 20 CD PRO A 2 -35.044 -8.001 4.668 1.00 0.00 C ATOM 0 HA PRO A 2 -32.270 -6.397 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -34.172 -6.338 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -33.382 -7.851 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -36.086 -6.842 3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -35.632 -8.447 2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -35.909 -7.804 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -34.826 -9.066 4.749 1.00 0.00 H new ATOM 28 N ALA A 3 -33.224 -4.229 5.020 1.00 0.00 N ATOM 29 CA ALA A 3 -33.510 -2.812 5.185 1.00 0.00 C ATOM 30 C ALA A 3 -32.920 -2.030 4.020 1.00 0.00 C ATOM 31 O ALA A 3 -33.164 -0.833 3.863 1.00 0.00 O ATOM 32 CB ALA A 3 -32.954 -2.308 6.508 1.00 0.00 C ATOM 0 H ALA A 3 -32.598 -4.620 5.724 1.00 0.00 H new ATOM 0 HA ALA A 3 -34.590 -2.666 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -33.177 -1.246 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -33.412 -2.860 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -31.874 -2.456 6.529 1.00 0.00 H new ATOM 38 N ALA A 4 -32.136 -2.734 3.207 1.00 0.00 N ATOM 39 CA ALA A 4 -31.498 -2.146 2.040 1.00 0.00 C ATOM 40 C ALA A 4 -32.290 -2.467 0.780 1.00 0.00 C ATOM 41 O ALA A 4 -31.737 -2.519 -0.320 1.00 0.00 O ATOM 42 CB ALA A 4 -30.074 -2.663 1.920 1.00 0.00 C ATOM 0 H ALA A 4 -31.928 -3.724 3.341 1.00 0.00 H new ATOM 0 HA ALA A 4 -31.473 -1.063 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.599 -2.220 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -29.512 -2.392 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -30.088 -3.748 1.815 1.00 0.00 H new ATOM 48 N MET A 5 -33.588 -2.685 0.956 1.00 0.00 N ATOM 49 CA MET A 5 -34.478 -3.006 -0.153 1.00 0.00 C ATOM 50 C MET A 5 -34.315 -2.010 -1.296 1.00 0.00 C ATOM 51 O MET A 5 -33.886 -2.371 -2.392 1.00 0.00 O ATOM 52 CB MET A 5 -35.926 -3.002 0.328 1.00 0.00 C ATOM 53 CG MET A 5 -36.892 -3.669 -0.639 1.00 0.00 C ATOM 54 SD MET A 5 -38.584 -3.713 -0.015 1.00 0.00 S ATOM 55 CE MET A 5 -39.440 -4.444 -1.408 1.00 0.00 C ATOM 0 H MET A 5 -34.050 -2.645 1.864 1.00 0.00 H new ATOM 0 HA MET A 5 -34.216 -3.997 -0.522 1.00 0.00 H new ATOM 0 HB2 MET A 5 -35.981 -3.509 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 5 -36.243 -1.972 0.492 1.00 0.00 H new ATOM 0 HG2 MET A 5 -36.874 -3.136 -1.590 1.00 0.00 H new ATOM 0 HG3 MET A 5 -36.556 -4.687 -0.838 1.00 0.00 H new ATOM 0 HE1 MET A 5 -40.501 -4.537 -1.175 1.00 0.00 H new ATOM 0 HE2 MET A 5 -39.316 -3.809 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 5 -39.025 -5.431 -1.613 1.00 0.00 H new ATOM 65 N GLU A 6 -34.661 -0.754 -1.030 1.00 0.00 N ATOM 66 CA GLU A 6 -34.559 0.294 -2.036 1.00 0.00 C ATOM 67 C GLU A 6 -33.333 1.171 -1.797 1.00 0.00 C ATOM 68 O GLU A 6 -33.046 2.076 -2.580 1.00 0.00 O ATOM 69 CB GLU A 6 -35.823 1.156 -2.031 1.00 0.00 C ATOM 70 CG GLU A 6 -37.076 0.404 -2.452 1.00 0.00 C ATOM 71 CD GLU A 6 -36.986 -0.129 -3.868 1.00 0.00 C ATOM 72 OE1 GLU A 6 -37.374 0.601 -4.804 1.00 0.00 O ATOM 73 OE2 GLU A 6 -36.526 -1.278 -4.041 1.00 0.00 O ATOM 0 H GLU A 6 -35.014 -0.439 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 6 -34.453 -0.185 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -35.972 1.561 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -35.677 2.004 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -37.246 -0.425 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -37.938 1.067 -2.371 1.00 0.00 H new ATOM 80 N ARG A 7 -32.615 0.898 -0.712 1.00 0.00 N ATOM 81 CA ARG A 7 -31.419 1.669 -0.374 1.00 0.00 C ATOM 82 C ARG A 7 -30.157 0.829 -0.545 1.00 0.00 C ATOM 83 O ARG A 7 -30.152 -0.365 -0.249 1.00 0.00 O ATOM 84 CB ARG A 7 -31.498 2.199 1.063 1.00 0.00 C ATOM 85 CG ARG A 7 -32.737 3.037 1.335 1.00 0.00 C ATOM 86 CD ARG A 7 -32.776 3.518 2.776 1.00 0.00 C ATOM 87 NE ARG A 7 -31.566 4.251 3.144 1.00 0.00 N ATOM 88 CZ ARG A 7 -31.261 4.592 4.392 1.00 0.00 C ATOM 89 NH1 ARG A 7 -32.074 4.273 5.390 1.00 0.00 N ATOM 90 NH2 ARG A 7 -30.138 5.252 4.644 1.00 0.00 N ATOM 0 H ARG A 7 -32.838 0.152 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 7 -31.370 2.515 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.481 1.356 1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.611 2.799 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -32.752 3.895 0.663 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.630 2.449 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -33.646 4.159 2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -32.897 2.662 3.440 1.00 0.00 H new ATOM 0 HE ARG A 7 -30.919 4.516 2.401 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -32.937 3.764 5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -31.836 4.537 6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -29.509 5.498 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -29.904 5.514 5.602 1.00 0.00 H new ATOM 104 N GLN A 8 -29.091 1.461 -1.027 1.00 0.00 N ATOM 105 CA GLN A 8 -27.820 0.771 -1.231 1.00 0.00 C ATOM 106 C GLN A 8 -26.732 1.372 -0.348 1.00 0.00 C ATOM 107 O GLN A 8 -26.362 2.536 -0.507 1.00 0.00 O ATOM 108 CB GLN A 8 -27.398 0.837 -2.702 1.00 0.00 C ATOM 109 CG GLN A 8 -28.383 0.175 -3.650 1.00 0.00 C ATOM 110 CD GLN A 8 -27.886 0.147 -5.083 1.00 0.00 C ATOM 111 OE1 GLN A 8 -27.225 -0.803 -5.503 1.00 0.00 O ATOM 112 NE2 GLN A 8 -28.203 1.190 -5.840 1.00 0.00 N ATOM 0 H GLN A 8 -29.081 2.448 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 8 -27.957 -0.274 -0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -27.277 1.881 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -26.424 0.360 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -28.574 -0.845 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -29.334 0.707 -3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -28.753 1.955 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -27.897 1.226 -6.812 1.00 0.00 H new ATOM 121 N VAL A 9 -26.223 0.571 0.583 1.00 0.00 N ATOM 122 CA VAL A 9 -25.179 1.022 1.497 1.00 0.00 C ATOM 123 C VAL A 9 -23.800 0.939 0.840 1.00 0.00 C ATOM 124 O VAL A 9 -23.320 -0.153 0.539 1.00 0.00 O ATOM 125 CB VAL A 9 -25.165 0.183 2.792 1.00 0.00 C ATOM 126 CG1 VAL A 9 -24.137 0.722 3.778 1.00 0.00 C ATOM 127 CG2 VAL A 9 -26.548 0.142 3.423 1.00 0.00 C ATOM 0 H VAL A 9 -26.517 -0.395 0.724 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.402 2.060 1.745 1.00 0.00 H new ATOM 0 HB VAL A 9 -24.880 -0.836 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -24.147 0.114 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -23.146 0.685 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.382 1.753 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -26.515 -0.455 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.868 1.156 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -27.254 -0.304 2.723 1.00 0.00 H new ATOM 137 N PRO A 10 -23.141 2.094 0.608 1.00 0.00 N ATOM 138 CA PRO A 10 -21.812 2.127 -0.009 1.00 0.00 C ATOM 139 C PRO A 10 -20.724 1.633 0.937 1.00 0.00 C ATOM 140 O PRO A 10 -20.972 1.418 2.123 1.00 0.00 O ATOM 141 CB PRO A 10 -21.608 3.608 -0.332 1.00 0.00 C ATOM 142 CG PRO A 10 -22.443 4.331 0.666 1.00 0.00 C ATOM 143 CD PRO A 10 -23.635 3.450 0.925 1.00 0.00 C ATOM 0 HA PRO A 10 -21.750 1.475 -0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.558 3.890 -0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.920 3.838 -1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -21.884 4.512 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -22.752 5.304 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -23.970 3.523 1.960 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -24.481 3.726 0.296 1.00 0.00 H new ATOM 151 N TYR A 11 -19.520 1.453 0.405 1.00 0.00 N ATOM 152 CA TYR A 11 -18.393 0.982 1.204 1.00 0.00 C ATOM 153 C TYR A 11 -17.133 1.788 0.900 1.00 0.00 C ATOM 154 O TYR A 11 -16.633 1.779 -0.225 1.00 0.00 O ATOM 155 CB TYR A 11 -18.140 -0.510 0.938 1.00 0.00 C ATOM 156 CG TYR A 11 -16.773 -0.986 1.389 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.514 -1.262 2.727 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.739 -1.148 0.474 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.262 -1.687 3.139 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.488 -1.575 0.879 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.256 -1.841 2.210 1.00 0.00 C ATOM 162 OH TYR A 11 -13.011 -2.261 2.614 1.00 0.00 O ATOM 0 H TYR A 11 -19.299 1.626 -0.576 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.642 1.120 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.905 -1.096 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.248 -0.703 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.302 -1.143 3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.916 -0.937 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.075 -1.896 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.696 -1.699 0.155 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.385 -2.197 1.863 1.00 0.00 H new ATOM 172 N THR A 12 -16.628 2.484 1.914 1.00 0.00 N ATOM 173 CA THR A 12 -15.419 3.287 1.763 1.00 0.00 C ATOM 174 C THR A 12 -14.260 2.687 2.553 1.00 0.00 C ATOM 175 O THR A 12 -14.348 2.547 3.773 1.00 0.00 O ATOM 176 CB THR A 12 -15.634 4.738 2.240 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.443 5.451 1.296 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.299 5.451 2.421 1.00 0.00 C ATOM 0 H THR A 12 -17.037 2.508 2.848 1.00 0.00 H new ATOM 0 HA THR A 12 -15.181 3.290 0.699 1.00 0.00 H new ATOM 0 HB THR A 12 -16.145 4.710 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.576 6.371 1.608 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.475 6.473 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.702 4.922 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.764 5.469 1.471 1.00 0.00 H new ATOM 186 N PRO A 13 -13.153 2.324 1.878 1.00 0.00 N ATOM 187 CA PRO A 13 -11.992 1.768 2.534 1.00 0.00 C ATOM 188 C PRO A 13 -10.941 2.831 2.823 1.00 0.00 C ATOM 189 O PRO A 13 -10.268 3.324 1.916 1.00 0.00 O ATOM 190 CB PRO A 13 -11.487 0.774 1.497 1.00 0.00 C ATOM 191 CG PRO A 13 -11.879 1.353 0.171 1.00 0.00 C ATOM 192 CD PRO A 13 -12.940 2.402 0.429 1.00 0.00 C ATOM 0 HA PRO A 13 -12.216 1.326 3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.407 0.647 1.567 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.934 -0.209 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.015 1.795 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.262 0.575 -0.489 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.606 3.394 0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.856 2.191 -0.123 1.00 0.00 H new ATOM 200 N CYS A 14 -10.819 3.174 4.096 1.00 0.00 N ATOM 201 CA CYS A 14 -9.854 4.168 4.556 1.00 0.00 C ATOM 202 C CYS A 14 -10.228 5.561 4.078 1.00 0.00 C ATOM 203 O CYS A 14 -10.864 5.728 3.038 1.00 0.00 O ATOM 204 CB CYS A 14 -8.435 3.808 4.108 1.00 0.00 C ATOM 205 SG CYS A 14 -7.545 5.131 3.228 1.00 0.00 S ATOM 0 H CYS A 14 -11.386 2.772 4.843 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.877 4.167 5.646 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.855 3.522 4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.486 2.933 3.461 1.00 0.00 H new ATOM 210 N SER A 15 -9.807 6.557 4.847 1.00 0.00 N ATOM 211 CA SER A 15 -10.107 7.954 4.534 1.00 0.00 C ATOM 212 C SER A 15 -9.312 8.905 5.421 1.00 0.00 C ATOM 213 O SER A 15 -8.761 8.503 6.446 1.00 0.00 O ATOM 214 CB SER A 15 -11.604 8.236 4.704 1.00 0.00 C ATOM 215 OG SER A 15 -12.368 7.600 3.695 1.00 0.00 O ATOM 0 H SER A 15 -9.255 6.426 5.695 1.00 0.00 H new ATOM 0 HA SER A 15 -9.821 8.122 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.932 7.889 5.684 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.779 9.311 4.672 1.00 0.00 H new ATOM 0 HG SER A 15 -11.767 7.197 3.034 1.00 0.00 H new ATOM 221 N GLY A 16 -9.268 10.171 5.017 1.00 0.00 N ATOM 222 CA GLY A 16 -8.551 11.177 5.779 1.00 0.00 C ATOM 223 C GLY A 16 -7.045 11.043 5.663 1.00 0.00 C ATOM 224 O GLY A 16 -6.396 11.836 4.982 1.00 0.00 O ATOM 0 H GLY A 16 -9.719 10.519 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.850 12.167 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.838 11.104 6.828 1.00 0.00 H new ATOM 228 N LEU A 17 -6.490 10.038 6.331 1.00 0.00 N ATOM 229 CA LEU A 17 -5.050 9.806 6.314 1.00 0.00 C ATOM 230 C LEU A 17 -4.541 9.554 4.897 1.00 0.00 C ATOM 231 O LEU A 17 -3.544 10.141 4.478 1.00 0.00 O ATOM 232 CB LEU A 17 -4.694 8.621 7.217 1.00 0.00 C ATOM 233 CG LEU A 17 -5.101 8.777 8.684 1.00 0.00 C ATOM 234 CD1 LEU A 17 -4.881 7.476 9.439 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.324 9.912 9.337 1.00 0.00 C ATOM 0 H LEU A 17 -7.017 9.369 6.893 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.564 10.706 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.169 7.725 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.617 8.459 7.170 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.162 9.022 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.176 7.605 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.482 6.687 8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.827 7.202 9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.627 10.008 10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.256 9.698 9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.532 10.844 8.812 1.00 0.00 H new ATOM 247 N TYR A 18 -5.225 8.681 4.160 1.00 0.00 N ATOM 248 CA TYR A 18 -4.816 8.361 2.794 1.00 0.00 C ATOM 249 C TYR A 18 -5.989 8.485 1.829 1.00 0.00 C ATOM 250 O TYR A 18 -5.851 9.009 0.723 1.00 0.00 O ATOM 251 CB TYR A 18 -4.245 6.940 2.750 1.00 0.00 C ATOM 252 CG TYR A 18 -3.326 6.633 3.913 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.040 7.160 3.981 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.755 5.819 4.954 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.212 6.880 5.052 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.932 5.538 6.026 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.663 6.070 6.070 1.00 0.00 C ATOM 258 OH TYR A 18 -0.841 5.792 7.139 1.00 0.00 O ATOM 0 H TYR A 18 -6.057 8.187 4.482 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.049 9.071 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.067 6.224 2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.698 6.803 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.683 7.797 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.749 5.399 4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.216 7.295 5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.282 4.904 6.827 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.233 6.546 7.289 1.00 0.00 H new ATOM 268 N GLY A 19 -7.139 7.996 2.266 1.00 0.00 N ATOM 269 CA GLY A 19 -8.347 8.067 1.465 1.00 0.00 C ATOM 270 C GLY A 19 -8.244 7.379 0.114 1.00 0.00 C ATOM 271 O GLY A 19 -9.161 7.489 -0.700 1.00 0.00 O ATOM 0 H GLY A 19 -7.259 7.545 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.167 7.619 2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.603 9.115 1.307 1.00 0.00 H new ATOM 275 N THR A 20 -7.147 6.668 -0.139 1.00 0.00 N ATOM 276 CA THR A 20 -6.983 5.994 -1.426 1.00 0.00 C ATOM 277 C THR A 20 -6.581 4.526 -1.275 1.00 0.00 C ATOM 278 O THR A 20 -5.408 4.211 -1.073 1.00 0.00 O ATOM 279 CB THR A 20 -5.935 6.711 -2.296 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.273 8.097 -2.426 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.850 6.077 -3.675 1.00 0.00 C ATOM 0 H THR A 20 -6.373 6.545 0.514 1.00 0.00 H new ATOM 0 HA THR A 20 -7.958 6.033 -1.911 1.00 0.00 H new ATOM 0 HB THR A 20 -4.965 6.616 -1.808 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.169 8.542 -1.559 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.103 6.601 -4.271 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.566 5.029 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.820 6.146 -4.167 1.00 0.00 H new ATOM 289 N ALA A 21 -7.565 3.633 -1.380 1.00 0.00 N ATOM 290 CA ALA A 21 -7.314 2.195 -1.291 1.00 0.00 C ATOM 291 C ALA A 21 -6.547 1.704 -2.522 1.00 0.00 C ATOM 292 O ALA A 21 -6.728 2.238 -3.617 1.00 0.00 O ATOM 293 CB ALA A 21 -8.634 1.447 -1.155 1.00 0.00 C ATOM 0 H ALA A 21 -8.544 3.880 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.703 2.000 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.440 0.376 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.149 1.779 -0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.259 1.650 -2.025 1.00 0.00 H new ATOM 299 N GLN A 22 -5.696 0.687 -2.347 1.00 0.00 N ATOM 300 CA GLN A 22 -4.913 0.149 -3.460 1.00 0.00 C ATOM 301 C GLN A 22 -4.122 -1.083 -3.027 1.00 0.00 C ATOM 302 O GLN A 22 -4.096 -1.427 -1.849 1.00 0.00 O ATOM 303 CB GLN A 22 -3.965 1.217 -4.031 1.00 0.00 C ATOM 304 CG GLN A 22 -3.060 1.873 -2.997 1.00 0.00 C ATOM 305 CD GLN A 22 -2.027 2.792 -3.622 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.626 2.488 -4.852 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -1.594 3.766 -3.008 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.534 0.225 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.611 -0.148 -4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.344 0.760 -4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.560 1.990 -4.518 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.670 2.442 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.551 1.099 -2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.928 3.964 -2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.901 4.375 -3.442 1.00 0.00 H new ATOM 316 N CYS A 23 -3.475 -1.742 -3.986 1.00 0.00 N ATOM 317 CA CYS A 23 -2.696 -2.941 -3.696 1.00 0.00 C ATOM 318 C CYS A 23 -1.205 -2.618 -3.645 1.00 0.00 C ATOM 319 O CYS A 23 -0.663 -2.021 -4.574 1.00 0.00 O ATOM 320 CB CYS A 23 -2.953 -4.015 -4.756 1.00 0.00 C ATOM 321 SG CYS A 23 -4.715 -4.369 -5.062 1.00 0.00 S ATOM 0 H CYS A 23 -3.475 -1.466 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.008 -3.318 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.491 -3.702 -5.692 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.458 -4.936 -4.449 1.00 0.00 H new ATOM 326 N CYS A 24 -0.548 -3.018 -2.559 1.00 0.00 N ATOM 327 CA CYS A 24 0.882 -2.761 -2.393 1.00 0.00 C ATOM 328 C CYS A 24 1.690 -4.053 -2.455 1.00 0.00 C ATOM 329 O CYS A 24 1.604 -4.895 -1.560 1.00 0.00 O ATOM 330 CB CYS A 24 1.140 -2.039 -1.066 1.00 0.00 C ATOM 331 SG CYS A 24 0.412 -0.369 -0.986 1.00 0.00 S ATOM 0 H CYS A 24 -0.980 -3.520 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 24 1.205 -2.123 -3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.737 -2.641 -0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.216 -1.965 -0.906 1.00 0.00 H new ATOM 336 N ALA A 25 2.474 -4.202 -3.521 1.00 0.00 N ATOM 337 CA ALA A 25 3.304 -5.386 -3.702 1.00 0.00 C ATOM 338 C ALA A 25 4.613 -5.246 -2.936 1.00 0.00 C ATOM 339 O ALA A 25 5.522 -4.536 -3.366 1.00 0.00 O ATOM 340 CB ALA A 25 3.573 -5.621 -5.181 1.00 0.00 C ATOM 0 H ALA A 25 2.550 -3.516 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 25 2.768 -6.248 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.194 -6.509 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.628 -5.766 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.090 -4.757 -5.599 1.00 0.00 H new ATOM 346 N THR A 26 4.701 -5.928 -1.799 1.00 0.00 N ATOM 347 CA THR A 26 5.896 -5.869 -0.965 1.00 0.00 C ATOM 348 C THR A 26 7.089 -6.516 -1.651 1.00 0.00 C ATOM 349 O THR A 26 6.937 -7.309 -2.581 1.00 0.00 O ATOM 350 CB THR A 26 5.681 -6.563 0.392 1.00 0.00 C ATOM 351 OG1 THR A 26 5.398 -7.954 0.193 1.00 0.00 O ATOM 352 CG2 THR A 26 4.542 -5.916 1.166 1.00 0.00 C ATOM 0 H THR A 26 3.960 -6.527 -1.434 1.00 0.00 H new ATOM 0 HA THR A 26 6.098 -4.810 -0.802 1.00 0.00 H new ATOM 0 HB THR A 26 6.597 -6.456 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.264 -8.388 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.414 -6.427 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.774 -4.866 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.621 -5.990 0.588 1.00 0.00 H new ATOM 360 N ASP A 27 8.281 -6.168 -1.181 1.00 0.00 N ATOM 361 CA ASP A 27 9.517 -6.716 -1.734 1.00 0.00 C ATOM 362 C ASP A 27 9.770 -8.124 -1.195 1.00 0.00 C ATOM 363 O ASP A 27 9.008 -8.623 -0.367 1.00 0.00 O ATOM 364 CB ASP A 27 10.701 -5.804 -1.401 1.00 0.00 C ATOM 365 CG ASP A 27 11.916 -6.091 -2.259 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.957 -5.608 -3.411 1.00 0.00 O ATOM 367 OD2 ASP A 27 12.829 -6.798 -1.782 1.00 0.00 O ATOM 0 H ASP A 27 8.420 -5.507 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 27 9.411 -6.773 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.403 -4.764 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.965 -5.927 -0.351 1.00 0.00 H new ATOM 372 N VAL A 28 10.840 -8.761 -1.665 1.00 0.00 N ATOM 373 CA VAL A 28 11.180 -10.111 -1.226 1.00 0.00 C ATOM 374 C VAL A 28 11.981 -10.088 0.074 1.00 0.00 C ATOM 375 O VAL A 28 11.456 -10.401 1.143 1.00 0.00 O ATOM 376 CB VAL A 28 11.981 -10.869 -2.302 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.286 -12.288 -1.844 1.00 0.00 C ATOM 378 CG2 VAL A 28 11.223 -10.882 -3.622 1.00 0.00 C ATOM 0 H VAL A 28 11.485 -8.364 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 28 10.238 -10.631 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 28 12.927 -10.349 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.852 -12.806 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.872 -12.256 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.352 -12.820 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.804 -11.422 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.261 -11.376 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.060 -9.858 -3.958 1.00 0.00 H new ATOM 388 N LEU A 29 13.255 -9.714 -0.024 1.00 0.00 N ATOM 389 CA LEU A 29 14.128 -9.653 1.146 1.00 0.00 C ATOM 390 C LEU A 29 14.613 -8.229 1.375 1.00 0.00 C ATOM 391 O LEU A 29 14.754 -7.788 2.516 1.00 0.00 O ATOM 392 CB LEU A 29 15.327 -10.592 0.979 1.00 0.00 C ATOM 393 CG LEU A 29 14.996 -12.088 0.964 1.00 0.00 C ATOM 394 CD1 LEU A 29 16.214 -12.897 0.553 1.00 0.00 C ATOM 395 CD2 LEU A 29 14.491 -12.547 2.325 1.00 0.00 C ATOM 0 H LEU A 29 13.705 -9.449 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 29 13.552 -9.974 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.836 -10.341 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.031 -10.402 1.789 1.00 0.00 H new ATOM 0 HG LEU A 29 14.204 -12.252 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.962 -13.957 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.532 -12.595 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 29 17.024 -12.720 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.263 -13.612 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.258 -12.366 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.590 -11.992 2.585 1.00 0.00 H new ATOM 407 N GLY A 30 14.873 -7.516 0.285 1.00 0.00 N ATOM 408 CA GLY A 30 15.321 -6.141 0.392 1.00 0.00 C ATOM 409 C GLY A 30 14.164 -5.198 0.645 1.00 0.00 C ATOM 410 O GLY A 30 14.122 -4.091 0.107 1.00 0.00 O ATOM 0 H GLY A 30 14.782 -7.865 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 30 16.045 -6.055 1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.833 -5.852 -0.526 1.00 0.00 H new ATOM 414 N VAL A 31 13.220 -5.651 1.465 1.00 0.00 N ATOM 415 CA VAL A 31 12.038 -4.867 1.799 1.00 0.00 C ATOM 416 C VAL A 31 12.407 -3.464 2.274 1.00 0.00 C ATOM 417 O VAL A 31 13.457 -3.250 2.879 1.00 0.00 O ATOM 418 CB VAL A 31 11.192 -5.568 2.881 1.00 0.00 C ATOM 419 CG1 VAL A 31 12.008 -5.771 4.144 1.00 0.00 C ATOM 420 CG2 VAL A 31 9.925 -4.778 3.175 1.00 0.00 C ATOM 0 H VAL A 31 13.253 -6.566 1.914 1.00 0.00 H new ATOM 0 HA VAL A 31 11.450 -4.781 0.885 1.00 0.00 H new ATOM 0 HB VAL A 31 10.896 -6.547 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.396 -6.267 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.878 -6.388 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.337 -4.804 4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.345 -5.292 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.191 -3.782 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.330 -4.693 2.266 1.00 0.00 H new ATOM 430 N ALA A 32 11.516 -2.522 1.989 1.00 0.00 N ATOM 431 CA ALA A 32 11.699 -1.122 2.356 1.00 0.00 C ATOM 432 C ALA A 32 10.502 -0.312 1.882 1.00 0.00 C ATOM 433 O ALA A 32 10.004 0.566 2.587 1.00 0.00 O ATOM 434 CB ALA A 32 12.980 -0.570 1.748 1.00 0.00 C ATOM 0 H ALA A 32 10.643 -2.708 1.495 1.00 0.00 H new ATOM 0 HA ALA A 32 11.778 -1.049 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.097 0.475 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.832 -1.144 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.929 -0.646 0.662 1.00 0.00 H new ATOM 440 N ASP A 33 10.054 -0.624 0.672 1.00 0.00 N ATOM 441 CA ASP A 33 8.908 0.041 0.069 1.00 0.00 C ATOM 442 C ASP A 33 8.072 -0.973 -0.708 1.00 0.00 C ATOM 443 O ASP A 33 8.579 -2.025 -1.098 1.00 0.00 O ATOM 444 CB ASP A 33 9.373 1.159 -0.868 1.00 0.00 C ATOM 445 CG ASP A 33 10.260 2.171 -0.170 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.486 1.943 -0.109 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.729 3.192 0.314 1.00 0.00 O ATOM 0 H ASP A 33 10.474 -1.343 0.083 1.00 0.00 H new ATOM 0 HA ASP A 33 8.300 0.479 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.915 0.723 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.502 1.668 -1.281 1.00 0.00 H new ATOM 452 N LEU A 34 6.796 -0.666 -0.933 1.00 0.00 N ATOM 453 CA LEU A 34 5.925 -1.576 -1.671 1.00 0.00 C ATOM 454 C LEU A 34 5.319 -0.864 -2.874 1.00 0.00 C ATOM 455 O LEU A 34 4.830 0.260 -2.757 1.00 0.00 O ATOM 456 CB LEU A 34 4.789 -2.137 -0.796 1.00 0.00 C ATOM 457 CG LEU A 34 4.914 -1.927 0.714 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.633 -2.372 1.416 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.108 -2.701 1.252 1.00 0.00 C ATOM 0 H LEU A 34 6.347 0.195 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 34 6.545 -2.411 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.853 -1.687 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.712 -3.208 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 34 5.068 -0.866 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.734 -2.218 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.792 -1.788 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.457 -3.429 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.188 -2.545 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.974 -3.763 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.018 -2.350 0.766 1.00 0.00 H new ATOM 471 N ASP A 35 5.357 -1.517 -4.029 1.00 0.00 N ATOM 472 CA ASP A 35 4.796 -0.938 -5.240 1.00 0.00 C ATOM 473 C ASP A 35 3.277 -0.888 -5.133 1.00 0.00 C ATOM 474 O ASP A 35 2.596 -1.885 -5.368 1.00 0.00 O ATOM 475 CB ASP A 35 5.212 -1.756 -6.465 1.00 0.00 C ATOM 476 CG ASP A 35 6.714 -1.767 -6.670 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.229 -0.849 -7.341 1.00 0.00 O ATOM 478 OD2 ASP A 35 7.376 -2.695 -6.158 1.00 0.00 O ATOM 0 H ASP A 35 5.768 -2.442 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 35 5.179 0.076 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.856 -2.780 -6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.730 -1.347 -7.353 1.00 0.00 H new ATOM 483 N CYS A 36 2.753 0.281 -4.777 1.00 0.00 N ATOM 484 CA CYS A 36 1.313 0.454 -4.619 1.00 0.00 C ATOM 485 C CYS A 36 0.675 1.027 -5.880 1.00 0.00 C ATOM 486 O CYS A 36 0.962 2.155 -6.277 1.00 0.00 O ATOM 487 CB CYS A 36 1.024 1.360 -3.417 1.00 0.00 C ATOM 488 SG CYS A 36 1.813 0.811 -1.867 1.00 0.00 S ATOM 0 H CYS A 36 3.302 1.120 -4.593 1.00 0.00 H new ATOM 0 HA CYS A 36 0.873 -0.528 -4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.363 2.370 -3.647 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.054 1.412 -3.265 1.00 0.00 H new ATOM 493 N ALA A 37 -0.195 0.233 -6.504 1.00 0.00 N ATOM 494 CA ALA A 37 -0.885 0.654 -7.717 1.00 0.00 C ATOM 495 C ALA A 37 -2.369 0.873 -7.444 1.00 0.00 C ATOM 496 O ALA A 37 -3.028 0.027 -6.839 1.00 0.00 O ATOM 497 CB ALA A 37 -0.696 -0.378 -8.818 1.00 0.00 C ATOM 0 H ALA A 37 -0.437 -0.706 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.454 1.599 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.217 -0.050 -9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.367 -0.489 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.102 -1.336 -8.493 1.00 0.00 H new ATOM 503 N ASN A 38 -2.889 2.007 -7.897 1.00 0.00 N ATOM 504 CA ASN A 38 -4.298 2.330 -7.693 1.00 0.00 C ATOM 505 C ASN A 38 -5.172 1.548 -8.674 1.00 0.00 C ATOM 506 O ASN A 38 -5.058 1.728 -9.885 1.00 0.00 O ATOM 507 CB ASN A 38 -4.536 3.840 -7.860 1.00 0.00 C ATOM 508 CG ASN A 38 -5.920 4.281 -7.407 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.942 3.489 -7.715 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -6.070 5.340 -6.795 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.361 2.716 -8.406 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.571 2.045 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.783 4.385 -7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.400 4.109 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.261 5.922 -6.576 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.003 5.635 -6.507 1.00 0.00 H new ATOM 517 N PRO A 39 -6.054 0.664 -8.163 1.00 0.00 N ATOM 518 CA PRO A 39 -6.946 -0.131 -9.002 1.00 0.00 C ATOM 519 C PRO A 39 -8.229 0.617 -9.364 1.00 0.00 C ATOM 520 O PRO A 39 -9.096 0.813 -8.510 1.00 0.00 O ATOM 521 CB PRO A 39 -7.260 -1.334 -8.116 1.00 0.00 C ATOM 522 CG PRO A 39 -7.185 -0.816 -6.718 1.00 0.00 C ATOM 523 CD PRO A 39 -6.241 0.362 -6.730 1.00 0.00 C ATOM 0 HA PRO A 39 -6.493 -0.387 -9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.249 -1.737 -8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.544 -2.140 -8.277 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.172 -0.515 -6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.826 -1.590 -6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.661 1.214 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.294 0.118 -6.248 1.00 0.00 H new ATOM 531 N PRO A 40 -8.375 1.049 -10.633 1.00 0.00 N ATOM 532 CA PRO A 40 -9.565 1.771 -11.084 1.00 0.00 C ATOM 533 C PRO A 40 -10.759 0.840 -11.265 1.00 0.00 C ATOM 534 O PRO A 40 -10.800 0.047 -12.207 1.00 0.00 O ATOM 535 CB PRO A 40 -9.146 2.371 -12.438 1.00 0.00 C ATOM 536 CG PRO A 40 -7.686 2.081 -12.583 1.00 0.00 C ATOM 537 CD PRO A 40 -7.410 0.882 -11.725 1.00 0.00 C ATOM 0 HA PRO A 40 -9.883 2.521 -10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.715 1.927 -13.255 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.335 3.444 -12.465 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.430 1.882 -13.624 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.086 2.934 -12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.567 -0.051 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.383 0.870 -11.361 1.00 0.00 H new ATOM 545 N ALA A 41 -11.732 0.956 -10.363 1.00 0.00 N ATOM 546 CA ALA A 41 -12.935 0.130 -10.404 1.00 0.00 C ATOM 547 C ALA A 41 -13.837 0.430 -9.213 1.00 0.00 C ATOM 548 O ALA A 41 -13.449 1.156 -8.296 1.00 0.00 O ATOM 549 CB ALA A 41 -12.572 -1.350 -10.421 1.00 0.00 C ATOM 0 H ALA A 41 -11.709 1.620 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.475 0.369 -11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.483 -1.948 -10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.967 -1.566 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.006 -1.596 -9.522 1.00 0.00 H new ATOM 555 N THR A 42 -15.041 -0.132 -9.229 1.00 0.00 N ATOM 556 CA THR A 42 -15.993 0.074 -8.145 1.00 0.00 C ATOM 557 C THR A 42 -15.905 -1.060 -7.128 1.00 0.00 C ATOM 558 O THR A 42 -16.519 -2.114 -7.300 1.00 0.00 O ATOM 559 CB THR A 42 -17.442 0.182 -8.683 1.00 0.00 C ATOM 560 OG1 THR A 42 -17.589 1.389 -9.441 1.00 0.00 O ATOM 561 CG2 THR A 42 -18.476 0.160 -7.557 1.00 0.00 C ATOM 0 H THR A 42 -15.380 -0.733 -9.980 1.00 0.00 H new ATOM 0 HA THR A 42 -15.735 1.013 -7.656 1.00 0.00 H new ATOM 0 HB THR A 42 -17.621 -0.686 -9.318 1.00 0.00 H new ATOM 0 HG1 THR A 42 -18.506 1.452 -9.781 1.00 0.00 H new ATOM 0 HG21 THR A 42 -19.477 0.238 -7.981 1.00 0.00 H new ATOM 0 HG22 THR A 42 -18.389 -0.774 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 42 -18.300 1.000 -6.885 1.00 0.00 H new ATOM 569 N LEU A 43 -15.126 -0.838 -6.073 1.00 0.00 N ATOM 570 CA LEU A 43 -14.948 -1.836 -5.024 1.00 0.00 C ATOM 571 C LEU A 43 -16.295 -2.206 -4.401 1.00 0.00 C ATOM 572 O LEU A 43 -16.841 -1.459 -3.589 1.00 0.00 O ATOM 573 CB LEU A 43 -13.997 -1.301 -3.943 1.00 0.00 C ATOM 574 CG LEU A 43 -12.789 -0.511 -4.464 1.00 0.00 C ATOM 575 CD1 LEU A 43 -12.044 0.145 -3.310 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.850 -1.413 -5.254 1.00 0.00 C ATOM 0 H LEU A 43 -14.607 0.027 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.514 -2.732 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.565 -0.661 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.633 -2.143 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.157 0.268 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.190 0.701 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.713 0.827 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.694 -0.623 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.002 -0.830 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.492 -2.217 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.384 -1.838 -6.104 1.00 0.00 H new ATOM 588 N ALA A 44 -16.824 -3.365 -4.793 1.00 0.00 N ATOM 589 CA ALA A 44 -18.108 -3.839 -4.283 1.00 0.00 C ATOM 590 C ALA A 44 -18.117 -3.890 -2.758 1.00 0.00 C ATOM 591 O ALA A 44 -19.124 -3.576 -2.124 1.00 0.00 O ATOM 592 CB ALA A 44 -18.426 -5.211 -4.859 1.00 0.00 C ATOM 0 H ALA A 44 -16.381 -3.993 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.876 -3.133 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.385 -5.555 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.475 -5.147 -5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.646 -5.916 -4.572 1.00 0.00 H new ATOM 598 N ASN A 45 -16.990 -4.290 -2.179 1.00 0.00 N ATOM 599 CA ASN A 45 -16.859 -4.381 -0.730 1.00 0.00 C ATOM 600 C ASN A 45 -15.407 -4.628 -0.336 1.00 0.00 C ATOM 601 O ASN A 45 -14.500 -4.474 -1.155 1.00 0.00 O ATOM 602 CB ASN A 45 -17.768 -5.484 -0.168 1.00 0.00 C ATOM 603 CG ASN A 45 -17.669 -6.789 -0.936 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.449 -7.210 -1.245 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -18.682 -7.424 -1.232 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.151 -4.557 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.174 -3.430 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.508 -5.663 0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.801 -5.138 -0.184 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.602 -7.065 -0.976 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.601 -8.309 -1.733 1.00 0.00 H new ATOM 612 N ALA A 46 -15.188 -5.010 0.916 1.00 0.00 N ATOM 613 CA ALA A 46 -13.841 -5.262 1.408 1.00 0.00 C ATOM 614 C ALA A 46 -13.246 -6.529 0.808 1.00 0.00 C ATOM 615 O ALA A 46 -12.178 -6.491 0.202 1.00 0.00 O ATOM 616 CB ALA A 46 -13.844 -5.340 2.926 1.00 0.00 C ATOM 0 H ALA A 46 -15.925 -5.152 1.607 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.212 -4.429 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.831 -5.529 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.204 -4.397 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.499 -6.150 3.247 1.00 0.00 H new ATOM 622 N THR A 47 -13.935 -7.649 0.981 1.00 0.00 N ATOM 623 CA THR A 47 -13.462 -8.923 0.449 1.00 0.00 C ATOM 624 C THR A 47 -13.211 -8.830 -1.055 1.00 0.00 C ATOM 625 O THR A 47 -12.501 -9.656 -1.630 1.00 0.00 O ATOM 626 CB THR A 47 -14.472 -10.055 0.723 1.00 0.00 C ATOM 627 OG1 THR A 47 -14.802 -10.092 2.116 1.00 0.00 O ATOM 628 CG2 THR A 47 -13.906 -11.403 0.299 1.00 0.00 C ATOM 0 H THR A 47 -14.821 -7.703 1.484 1.00 0.00 H new ATOM 0 HA THR A 47 -12.525 -9.152 0.957 1.00 0.00 H new ATOM 0 HB THR A 47 -15.371 -9.855 0.140 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.445 -10.813 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.637 -12.185 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.682 -11.384 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.993 -11.606 0.858 1.00 0.00 H new ATOM 636 N HIS A 48 -13.789 -7.813 -1.686 1.00 0.00 N ATOM 637 CA HIS A 48 -13.649 -7.624 -3.125 1.00 0.00 C ATOM 638 C HIS A 48 -12.266 -7.107 -3.495 1.00 0.00 C ATOM 639 O HIS A 48 -11.566 -7.731 -4.292 1.00 0.00 O ATOM 640 CB HIS A 48 -14.728 -6.675 -3.651 1.00 0.00 C ATOM 641 CG HIS A 48 -14.692 -6.483 -5.137 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.499 -7.191 -6.004 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.946 -5.657 -5.911 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.251 -6.810 -7.243 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.314 -5.881 -7.214 1.00 0.00 N ATOM 0 H HIS A 48 -14.360 -7.106 -1.222 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.775 -8.599 -3.595 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.707 -7.060 -3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.614 -5.706 -3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.202 -4.954 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.733 -7.193 -8.130 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.926 -5.406 -8.029 1.00 0.00 H new ATOM 654 N PHE A 49 -11.861 -5.971 -2.927 1.00 0.00 N ATOM 655 CA PHE A 49 -10.546 -5.432 -3.247 1.00 0.00 C ATOM 656 C PHE A 49 -9.479 -6.145 -2.434 1.00 0.00 C ATOM 657 O PHE A 49 -8.293 -6.083 -2.754 1.00 0.00 O ATOM 658 CB PHE A 49 -10.484 -3.905 -3.095 1.00 0.00 C ATOM 659 CG PHE A 49 -10.365 -3.374 -1.698 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.178 -3.836 -0.680 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.447 -2.376 -1.418 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.074 -3.311 0.594 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.337 -1.852 -0.149 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.152 -2.320 0.859 1.00 0.00 C ATOM 0 H PHE A 49 -12.408 -5.423 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.348 -5.623 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.635 -3.539 -3.672 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.381 -3.481 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.900 -4.613 -0.882 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.809 -2.003 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.715 -3.677 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.614 -1.076 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.069 -1.911 1.855 1.00 0.00 H new ATOM 674 N GLU A 50 -9.907 -6.819 -1.370 1.00 0.00 N ATOM 675 CA GLU A 50 -8.988 -7.591 -0.548 1.00 0.00 C ATOM 676 C GLU A 50 -8.471 -8.775 -1.356 1.00 0.00 C ATOM 677 O GLU A 50 -7.321 -9.192 -1.208 1.00 0.00 O ATOM 678 CB GLU A 50 -9.675 -8.091 0.724 1.00 0.00 C ATOM 679 CG GLU A 50 -9.538 -7.152 1.911 1.00 0.00 C ATOM 680 CD GLU A 50 -10.143 -7.727 3.178 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.347 -7.499 3.416 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.412 -8.405 3.930 1.00 0.00 O ATOM 0 H GLU A 50 -10.879 -6.845 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.158 -6.949 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.734 -8.245 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.258 -9.062 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.483 -6.937 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.023 -6.204 1.678 1.00 0.00 H new ATOM 689 N SER A 51 -9.339 -9.316 -2.217 1.00 0.00 N ATOM 690 CA SER A 51 -8.980 -10.444 -3.065 1.00 0.00 C ATOM 691 C SER A 51 -8.278 -9.971 -4.336 1.00 0.00 C ATOM 692 O SER A 51 -7.394 -10.654 -4.854 1.00 0.00 O ATOM 693 CB SER A 51 -10.227 -11.251 -3.429 1.00 0.00 C ATOM 694 OG SER A 51 -10.853 -11.775 -2.271 1.00 0.00 O ATOM 0 H SER A 51 -10.296 -8.986 -2.341 1.00 0.00 H new ATOM 0 HA SER A 51 -8.292 -11.080 -2.508 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.929 -10.617 -3.970 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.953 -12.066 -4.098 1.00 0.00 H new ATOM 0 HG SER A 51 -11.474 -11.111 -1.906 1.00 0.00 H new ATOM 700 N THR A 52 -8.677 -8.801 -4.838 1.00 0.00 N ATOM 701 CA THR A 52 -8.071 -8.250 -6.048 1.00 0.00 C ATOM 702 C THR A 52 -6.574 -8.046 -5.841 1.00 0.00 C ATOM 703 O THR A 52 -5.786 -8.142 -6.782 1.00 0.00 O ATOM 704 CB THR A 52 -8.733 -6.916 -6.474 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.663 -6.776 -7.898 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.060 -5.713 -5.821 1.00 0.00 C ATOM 0 H THR A 52 -9.411 -8.222 -4.429 1.00 0.00 H new ATOM 0 HA THR A 52 -8.234 -8.970 -6.850 1.00 0.00 H new ATOM 0 HB THR A 52 -9.772 -6.945 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.084 -5.932 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.555 -4.798 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.133 -5.799 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.010 -5.681 -6.112 1.00 0.00 H new ATOM 714 N CYS A 53 -6.195 -7.762 -4.598 1.00 0.00 N ATOM 715 CA CYS A 53 -4.793 -7.563 -4.250 1.00 0.00 C ATOM 716 C CYS A 53 -4.133 -8.906 -3.947 1.00 0.00 C ATOM 717 O CYS A 53 -3.043 -9.200 -4.437 1.00 0.00 O ATOM 718 CB CYS A 53 -4.670 -6.637 -3.035 1.00 0.00 C ATOM 719 SG CYS A 53 -5.420 -4.992 -3.262 1.00 0.00 S ATOM 0 H CYS A 53 -6.841 -7.665 -3.815 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.288 -7.099 -5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.137 -7.120 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.614 -6.511 -2.795 1.00 0.00 H new ATOM 724 N ALA A 54 -4.811 -9.716 -3.137 1.00 0.00 N ATOM 725 CA ALA A 54 -4.309 -11.032 -2.760 1.00 0.00 C ATOM 726 C ALA A 54 -4.151 -11.948 -3.971 1.00 0.00 C ATOM 727 O ALA A 54 -3.504 -12.992 -3.884 1.00 0.00 O ATOM 728 CB ALA A 54 -5.238 -11.670 -1.740 1.00 0.00 C ATOM 0 H ALA A 54 -5.715 -9.480 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.322 -10.896 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.855 -12.653 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.292 -11.039 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.234 -11.776 -2.171 1.00 0.00 H new ATOM 734 N ALA A 55 -4.751 -11.558 -5.094 1.00 0.00 N ATOM 735 CA ALA A 55 -4.669 -12.350 -6.320 1.00 0.00 C ATOM 736 C ALA A 55 -3.226 -12.728 -6.624 1.00 0.00 C ATOM 737 O ALA A 55 -2.919 -13.889 -6.894 1.00 0.00 O ATOM 738 CB ALA A 55 -5.271 -11.589 -7.491 1.00 0.00 C ATOM 0 H ALA A 55 -5.298 -10.701 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.241 -13.266 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.200 -12.195 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.318 -11.369 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.727 -10.656 -7.637 1.00 0.00 H new ATOM 744 N ILE A 56 -2.344 -11.736 -6.577 1.00 0.00 N ATOM 745 CA ILE A 56 -0.925 -11.962 -6.833 1.00 0.00 C ATOM 746 C ILE A 56 -0.184 -12.252 -5.531 1.00 0.00 C ATOM 747 O ILE A 56 0.999 -12.593 -5.538 1.00 0.00 O ATOM 748 CB ILE A 56 -0.277 -10.752 -7.536 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.487 -9.482 -6.705 1.00 0.00 C ATOM 750 CG2 ILE A 56 -0.856 -10.588 -8.935 1.00 0.00 C ATOM 751 CD1 ILE A 56 0.111 -8.237 -7.328 1.00 0.00 C ATOM 0 H ILE A 56 -2.585 -10.768 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.848 -12.826 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 56 0.795 -10.926 -7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.556 -9.327 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.049 -9.629 -5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.392 -9.731 -9.423 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.659 -11.488 -9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.932 -10.428 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.078 -7.380 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.186 -8.371 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.344 -8.064 -8.303 1.00 0.00 H new ATOM 763 N GLY A 57 -0.899 -12.115 -4.416 1.00 0.00 N ATOM 764 CA GLY A 57 -0.311 -12.368 -3.110 1.00 0.00 C ATOM 765 C GLY A 57 -0.135 -11.099 -2.295 1.00 0.00 C ATOM 766 O GLY A 57 0.671 -11.060 -1.365 1.00 0.00 O ATOM 0 H GLY A 57 -1.879 -11.832 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.943 -13.065 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.658 -12.850 -3.239 1.00 0.00 H new ATOM 770 N GLN A 58 -0.891 -10.058 -2.643 1.00 0.00 N ATOM 771 CA GLN A 58 -0.807 -8.783 -1.936 1.00 0.00 C ATOM 772 C GLN A 58 -1.993 -8.597 -0.993 1.00 0.00 C ATOM 773 O GLN A 58 -2.666 -9.560 -0.626 1.00 0.00 O ATOM 774 CB GLN A 58 -0.755 -7.622 -2.938 1.00 0.00 C ATOM 775 CG GLN A 58 0.530 -7.553 -3.754 1.00 0.00 C ATOM 776 CD GLN A 58 1.595 -8.515 -3.267 1.00 0.00 C ATOM 777 OE1 GLN A 58 1.658 -9.687 -3.883 1.00 0.00 O flip ATOM 778 NE2 GLN A 58 2.362 -8.203 -2.356 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.566 -10.073 -3.408 1.00 0.00 H new ATOM 0 HA GLN A 58 0.107 -8.789 -1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.600 -7.709 -3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.878 -6.684 -2.396 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.303 -7.770 -4.798 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.923 -6.537 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.278 -7.290 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.081 -8.858 -2.048 1.00 0.00 H new ATOM 787 N ARG A 59 -2.237 -7.350 -0.601 1.00 0.00 N ATOM 788 CA ARG A 59 -3.340 -7.024 0.296 1.00 0.00 C ATOM 789 C ARG A 59 -3.775 -5.577 0.115 1.00 0.00 C ATOM 790 O ARG A 59 -3.041 -4.752 -0.430 1.00 0.00 O ATOM 791 CB ARG A 59 -2.943 -7.271 1.754 1.00 0.00 C ATOM 792 CG ARG A 59 -1.833 -6.363 2.244 1.00 0.00 C ATOM 793 CD ARG A 59 -0.464 -6.865 1.809 1.00 0.00 C ATOM 794 NE ARG A 59 0.604 -6.378 2.685 1.00 0.00 N ATOM 795 CZ ARG A 59 1.401 -5.360 2.375 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.252 -4.725 1.220 1.00 0.00 N ATOM 797 NH2 ARG A 59 2.347 -4.977 3.222 1.00 0.00 N ATOM 0 H ARG A 59 -1.682 -6.545 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.178 -7.674 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.819 -7.135 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.628 -8.308 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.990 -5.355 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.869 -6.298 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.462 -7.955 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.268 -6.543 0.786 1.00 0.00 H new ATOM 0 HE ARG A 59 0.744 -6.845 3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.525 -5.017 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.865 -3.944 0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.463 -5.463 4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.959 -4.196 2.984 1.00 0.00 H new ATOM 811 N ALA A 60 -4.977 -5.286 0.583 1.00 0.00 N ATOM 812 CA ALA A 60 -5.547 -3.947 0.482 1.00 0.00 C ATOM 813 C ALA A 60 -4.858 -2.975 1.441 1.00 0.00 C ATOM 814 O ALA A 60 -4.810 -3.209 2.649 1.00 0.00 O ATOM 815 CB ALA A 60 -7.044 -3.997 0.753 1.00 0.00 C ATOM 0 H ALA A 60 -5.585 -5.965 1.042 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.382 -3.582 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.462 -2.993 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.525 -4.647 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.219 -4.387 1.756 1.00 0.00 H new ATOM 821 N ARG A 61 -4.330 -1.880 0.891 1.00 0.00 N ATOM 822 CA ARG A 61 -3.644 -0.865 1.686 1.00 0.00 C ATOM 823 C ARG A 61 -4.163 0.532 1.342 1.00 0.00 C ATOM 824 O ARG A 61 -5.063 0.685 0.517 1.00 0.00 O ATOM 825 CB ARG A 61 -2.134 -0.916 1.433 1.00 0.00 C ATOM 826 CG ARG A 61 -1.515 -2.289 1.651 1.00 0.00 C ATOM 827 CD ARG A 61 -1.365 -2.622 3.125 1.00 0.00 C ATOM 828 NE ARG A 61 -0.176 -2.014 3.719 1.00 0.00 N ATOM 829 CZ ARG A 61 0.207 -2.218 4.978 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.509 -2.997 5.779 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.309 -1.642 5.438 1.00 0.00 N ATOM 0 H ARG A 61 -4.366 -1.675 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.843 -1.073 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.937 -0.599 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.642 -0.199 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.135 -3.046 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.537 -2.326 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.250 -2.282 3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.315 -3.704 3.246 1.00 0.00 H new ATOM 0 HE ARG A 61 0.392 -1.399 3.137 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.358 -3.443 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.211 -3.150 6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.864 -1.042 4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.602 -1.799 6.402 1.00 0.00 H new ATOM 845 N CYS A 62 -3.587 1.546 1.984 1.00 0.00 N ATOM 846 CA CYS A 62 -3.970 2.935 1.743 1.00 0.00 C ATOM 847 C CYS A 62 -2.771 3.855 1.990 1.00 0.00 C ATOM 848 O CYS A 62 -2.266 3.922 3.109 1.00 0.00 O ATOM 849 CB CYS A 62 -5.136 3.341 2.656 1.00 0.00 C ATOM 850 SG CYS A 62 -6.523 4.137 1.779 1.00 0.00 S ATOM 0 H CYS A 62 -2.849 1.430 2.679 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.292 3.031 0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.506 2.455 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.764 4.023 3.421 1.00 0.00 H new ATOM 855 N CYS A 63 -2.312 4.563 0.953 1.00 0.00 N ATOM 856 CA CYS A 63 -1.162 5.453 1.095 1.00 0.00 C ATOM 857 C CYS A 63 -1.505 6.879 0.680 1.00 0.00 C ATOM 858 O CYS A 63 -2.531 7.124 0.046 1.00 0.00 O ATOM 859 CB CYS A 63 0.007 4.941 0.257 1.00 0.00 C ATOM 860 SG CYS A 63 0.049 3.130 0.066 1.00 0.00 S ATOM 0 H CYS A 63 -2.716 4.536 0.017 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.880 5.463 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.040 5.399 -0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.940 5.269 0.716 1.00 0.00 H new ATOM 865 N LYS A 64 -0.627 7.816 1.036 1.00 0.00 N ATOM 866 CA LYS A 64 -0.838 9.227 0.708 1.00 0.00 C ATOM 867 C LYS A 64 -0.111 9.605 -0.585 1.00 0.00 C ATOM 868 O LYS A 64 0.517 8.759 -1.223 1.00 0.00 O ATOM 869 CB LYS A 64 -0.387 10.118 1.883 1.00 0.00 C ATOM 870 CG LYS A 64 0.936 10.853 1.678 1.00 0.00 C ATOM 871 CD LYS A 64 2.128 9.907 1.655 1.00 0.00 C ATOM 872 CE LYS A 64 2.496 9.441 3.052 1.00 0.00 C ATOM 873 NZ LYS A 64 3.922 9.015 3.138 1.00 0.00 N ATOM 0 H LYS A 64 0.234 7.626 1.549 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.903 9.390 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.166 10.855 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.304 9.498 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.898 11.409 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.070 11.583 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.896 9.043 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.983 10.408 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.314 10.247 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.851 8.611 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.071 8.474 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.156 8.419 2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.536 9.855 3.141 1.00 0.00 H new ATOM 887 N ASP A 65 -0.223 10.881 -0.968 1.00 0.00 N ATOM 888 CA ASP A 65 0.419 11.408 -2.174 1.00 0.00 C ATOM 889 C ASP A 65 -0.325 10.973 -3.433 1.00 0.00 C ATOM 890 O ASP A 65 0.136 11.207 -4.549 1.00 0.00 O ATOM 891 CB ASP A 65 1.887 10.974 -2.247 1.00 0.00 C ATOM 892 CG ASP A 65 2.652 11.694 -3.341 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.042 12.861 -3.124 1.00 0.00 O ATOM 894 OD2 ASP A 65 2.862 11.091 -4.415 1.00 0.00 O ATOM 0 H ASP A 65 -0.761 11.576 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 65 0.382 12.496 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.367 11.164 -1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.936 9.899 -2.421 1.00 0.00 H new ATOM 899 N ASP A 66 -1.478 10.342 -3.247 1.00 0.00 N ATOM 900 CA ASP A 66 -2.288 9.891 -4.371 1.00 0.00 C ATOM 901 C ASP A 66 -3.651 10.571 -4.344 1.00 0.00 C ATOM 902 O ASP A 66 -4.622 10.075 -4.917 1.00 0.00 O ATOM 903 CB ASP A 66 -2.454 8.369 -4.334 1.00 0.00 C ATOM 904 CG ASP A 66 -2.909 7.803 -5.666 1.00 0.00 C ATOM 905 OD1 ASP A 66 -2.038 7.486 -6.503 1.00 0.00 O ATOM 906 OD2 ASP A 66 -4.133 7.675 -5.872 1.00 0.00 O ATOM 0 H ASP A 66 -1.872 10.131 -2.330 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.779 10.162 -5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.506 7.910 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.178 8.104 -3.564 1.00 0.00 H new ATOM 911 N VAL A 67 -3.709 11.716 -3.672 1.00 0.00 N ATOM 912 CA VAL A 67 -4.948 12.477 -3.555 1.00 0.00 C ATOM 913 C VAL A 67 -4.842 13.844 -4.233 1.00 0.00 C ATOM 914 O VAL A 67 -5.828 14.363 -4.756 1.00 0.00 O ATOM 915 CB VAL A 67 -5.340 12.676 -2.077 1.00 0.00 C ATOM 916 CG1 VAL A 67 -5.436 11.336 -1.366 1.00 0.00 C ATOM 917 CG2 VAL A 67 -4.344 13.586 -1.371 1.00 0.00 C ATOM 0 H VAL A 67 -2.910 12.138 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.719 11.895 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.319 13.154 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.714 11.496 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.192 10.719 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.471 10.830 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.641 13.712 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.350 13.140 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.327 14.558 -1.864 1.00 0.00 H new ATOM 927 N THR A 68 -3.641 14.423 -4.219 1.00 0.00 N ATOM 928 CA THR A 68 -3.410 15.732 -4.827 1.00 0.00 C ATOM 929 C THR A 68 -3.734 15.730 -6.320 1.00 0.00 C ATOM 930 O THR A 68 -3.833 16.788 -6.941 1.00 0.00 O ATOM 931 CB THR A 68 -1.951 16.198 -4.630 1.00 0.00 C ATOM 932 OG1 THR A 68 -1.823 17.574 -5.009 1.00 0.00 O ATOM 933 CG2 THR A 68 -0.983 15.358 -5.453 1.00 0.00 C ATOM 0 H THR A 68 -2.814 14.005 -3.793 1.00 0.00 H new ATOM 0 HA THR A 68 -4.081 16.426 -4.321 1.00 0.00 H new ATOM 0 HB THR A 68 -1.702 16.077 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.535 17.807 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.035 15.713 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.057 14.314 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.234 15.445 -6.510 1.00 0.00 H new ATOM 941 N ASN A 69 -3.899 14.540 -6.889 1.00 0.00 N ATOM 942 CA ASN A 69 -4.207 14.406 -8.307 1.00 0.00 C ATOM 943 C ASN A 69 -4.649 12.985 -8.633 1.00 0.00 C ATOM 944 O ASN A 69 -3.899 12.029 -8.434 1.00 0.00 O ATOM 945 CB ASN A 69 -2.991 14.780 -9.156 1.00 0.00 C ATOM 946 CG ASN A 69 -3.260 14.638 -10.643 1.00 0.00 C ATOM 947 OD1 ASN A 69 -4.391 14.805 -11.098 1.00 0.00 O ATOM 948 ND2 ASN A 69 -2.219 14.328 -11.406 1.00 0.00 N ATOM 0 H ASN A 69 -3.824 13.654 -6.389 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.025 15.087 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.701 15.808 -8.938 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.149 14.146 -8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.339 14.219 -12.413 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.299 14.199 -10.985 1.00 0.00 H new ATOM 955 N THR A 70 -5.873 12.858 -9.129 1.00 0.00 N ATOM 956 CA THR A 70 -6.428 11.564 -9.490 1.00 0.00 C ATOM 957 C THR A 70 -5.579 10.871 -10.550 1.00 0.00 C ATOM 958 O THR A 70 -5.642 9.652 -10.708 1.00 0.00 O ATOM 959 CB THR A 70 -7.865 11.712 -10.018 1.00 0.00 C ATOM 960 OG1 THR A 70 -7.881 12.574 -11.163 1.00 0.00 O ATOM 961 CG2 THR A 70 -8.782 12.274 -8.942 1.00 0.00 C ATOM 0 H THR A 70 -6.503 13.644 -9.291 1.00 0.00 H new ATOM 0 HA THR A 70 -6.433 10.955 -8.586 1.00 0.00 H new ATOM 0 HB THR A 70 -8.227 10.724 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.799 12.661 -11.494 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.793 12.370 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.791 11.602 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.420 13.254 -8.631 1.00 0.00 H new ATOM 969 N GLY A 71 -4.786 11.656 -11.274 1.00 0.00 N ATOM 970 CA GLY A 71 -3.934 11.100 -12.310 1.00 0.00 C ATOM 971 C GLY A 71 -2.866 10.181 -11.751 1.00 0.00 C ATOM 972 O GLY A 71 -2.212 9.452 -12.495 1.00 0.00 O ATOM 0 H GLY A 71 -4.718 12.668 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.547 10.548 -13.023 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.459 11.912 -12.860 1.00 0.00 H new ATOM 976 N ASN A 72 -2.689 10.217 -10.433 1.00 0.00 N ATOM 977 CA ASN A 72 -1.695 9.381 -9.771 1.00 0.00 C ATOM 978 C ASN A 72 -2.245 7.978 -9.524 1.00 0.00 C ATOM 979 O ASN A 72 -3.260 7.812 -8.847 1.00 0.00 O ATOM 980 CB ASN A 72 -1.271 10.017 -8.444 1.00 0.00 C ATOM 981 CG ASN A 72 -0.534 11.327 -8.638 1.00 0.00 C ATOM 982 OD1 ASN A 72 -0.766 12.045 -9.612 1.00 0.00 O ATOM 983 ND2 ASN A 72 0.358 11.647 -7.709 1.00 0.00 N ATOM 0 H ASN A 72 -3.222 10.817 -9.803 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.825 9.301 -10.423 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.154 10.188 -7.828 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.632 9.322 -7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.884 12.518 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.518 11.022 -6.919 1.00 0.00 H new ATOM 990 N SER A 73 -1.574 6.968 -10.076 1.00 0.00 N ATOM 991 CA SER A 73 -2.003 5.583 -9.907 1.00 0.00 C ATOM 992 C SER A 73 -0.977 4.785 -9.109 1.00 0.00 C ATOM 993 O SER A 73 -1.206 4.452 -7.945 1.00 0.00 O ATOM 994 CB SER A 73 -2.232 4.927 -11.270 1.00 0.00 C ATOM 995 OG SER A 73 -3.257 5.588 -11.991 1.00 0.00 O ATOM 0 H SER A 73 -0.734 7.084 -10.642 1.00 0.00 H new ATOM 0 HA SER A 73 -2.941 5.587 -9.352 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.307 4.947 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.498 3.879 -11.132 1.00 0.00 H new ATOM 0 HG SER A 73 -3.382 5.150 -12.859 1.00 0.00 H new ATOM 1001 N PHE A 74 0.154 4.481 -9.739 1.00 0.00 N ATOM 1002 CA PHE A 74 1.217 3.722 -9.082 1.00 0.00 C ATOM 1003 C PHE A 74 2.280 4.652 -8.503 1.00 0.00 C ATOM 1004 O PHE A 74 2.807 5.518 -9.203 1.00 0.00 O ATOM 1005 CB PHE A 74 1.857 2.728 -10.065 1.00 0.00 C ATOM 1006 CG PHE A 74 3.257 2.318 -9.695 1.00 0.00 C ATOM 1007 CD1 PHE A 74 3.506 1.632 -8.516 1.00 0.00 C ATOM 1008 CD2 PHE A 74 4.326 2.622 -10.526 1.00 0.00 C ATOM 1009 CE1 PHE A 74 4.792 1.259 -8.174 1.00 0.00 C ATOM 1010 CE2 PHE A 74 5.613 2.250 -10.187 1.00 0.00 C ATOM 1011 CZ PHE A 74 5.846 1.569 -9.011 1.00 0.00 C ATOM 0 H PHE A 74 0.359 4.747 -10.702 1.00 0.00 H new ATOM 0 HA PHE A 74 0.770 3.163 -8.260 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.232 1.837 -10.124 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.871 3.174 -11.060 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.686 1.386 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.150 3.156 -11.448 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.973 0.725 -7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.436 2.493 -10.843 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.851 1.278 -8.745 1.00 0.00 H new ATOM 1021 N LEU A 75 2.592 4.468 -7.219 1.00 0.00 N ATOM 1022 CA LEU A 75 3.594 5.288 -6.551 1.00 0.00 C ATOM 1023 C LEU A 75 4.565 4.424 -5.753 1.00 0.00 C ATOM 1024 O LEU A 75 4.230 3.315 -5.335 1.00 0.00 O ATOM 1025 CB LEU A 75 2.924 6.300 -5.617 1.00 0.00 C ATOM 1026 CG LEU A 75 1.822 7.151 -6.256 1.00 0.00 C ATOM 1027 CD1 LEU A 75 1.098 7.969 -5.199 1.00 0.00 C ATOM 1028 CD2 LEU A 75 2.405 8.063 -7.326 1.00 0.00 C ATOM 0 H LEU A 75 2.164 3.758 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 75 4.151 5.822 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.499 5.762 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.690 6.966 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 75 1.102 6.482 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.319 8.567 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.647 7.300 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.808 8.628 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.608 8.660 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.146 8.724 -6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.879 7.459 -8.100 1.00 0.00 H new ATOM 1040 N ILE A 76 5.769 4.944 -5.549 1.00 0.00 N ATOM 1041 CA ILE A 76 6.796 4.242 -4.790 1.00 0.00 C ATOM 1042 C ILE A 76 6.949 4.898 -3.426 1.00 0.00 C ATOM 1043 O ILE A 76 7.578 5.948 -3.301 1.00 0.00 O ATOM 1044 CB ILE A 76 8.154 4.258 -5.523 1.00 0.00 C ATOM 1045 CG1 ILE A 76 8.012 3.621 -6.909 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.208 3.529 -4.699 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.266 3.711 -7.755 1.00 0.00 C ATOM 0 H ILE A 76 6.059 5.856 -5.902 1.00 0.00 H new ATOM 0 HA ILE A 76 6.486 3.203 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 76 8.475 5.292 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.740 2.572 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.192 4.105 -7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.161 3.548 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.319 4.022 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.899 2.495 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.088 3.239 -8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.529 4.758 -7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.085 3.201 -7.247 1.00 0.00 H new ATOM 1059 N ILE A 77 6.372 4.275 -2.405 1.00 0.00 N ATOM 1060 CA ILE A 77 6.419 4.837 -1.063 1.00 0.00 C ATOM 1061 C ILE A 77 6.749 3.803 0.005 1.00 0.00 C ATOM 1062 O ILE A 77 6.722 2.597 -0.238 1.00 0.00 O ATOM 1063 CB ILE A 77 5.080 5.510 -0.715 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.910 4.633 -1.207 1.00 0.00 C ATOM 1065 CG2 ILE A 77 5.032 6.913 -1.308 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.815 5.386 -1.941 1.00 0.00 C ATOM 0 H ILE A 77 5.871 3.390 -2.480 1.00 0.00 H new ATOM 0 HA ILE A 77 7.223 5.573 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 77 4.987 5.609 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.306 3.861 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.470 4.125 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.081 7.382 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.849 7.508 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.132 6.854 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.037 4.688 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.386 6.140 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.235 5.872 -2.822 1.00 0.00 H new ATOM 1078 N ASN A 78 7.054 4.308 1.196 1.00 0.00 N ATOM 1079 CA ASN A 78 7.403 3.475 2.339 1.00 0.00 C ATOM 1080 C ASN A 78 6.235 2.591 2.762 1.00 0.00 C ATOM 1081 O ASN A 78 5.087 2.843 2.396 1.00 0.00 O ATOM 1082 CB ASN A 78 7.824 4.365 3.511 1.00 0.00 C ATOM 1083 CG ASN A 78 8.670 3.625 4.529 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.267 2.593 4.224 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.741 4.158 5.742 1.00 0.00 N ATOM 0 H ASN A 78 7.066 5.308 1.395 1.00 0.00 H new ATOM 0 HA ASN A 78 8.229 2.827 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.384 5.220 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.934 4.759 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.307 3.711 6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.230 5.015 5.953 1.00 0.00 H new ATOM 1092 N ALA A 79 6.538 1.551 3.536 1.00 0.00 N ATOM 1093 CA ALA A 79 5.513 0.638 4.022 1.00 0.00 C ATOM 1094 C ALA A 79 4.648 1.322 5.074 1.00 0.00 C ATOM 1095 O ALA A 79 3.447 1.072 5.165 1.00 0.00 O ATOM 1096 CB ALA A 79 6.148 -0.622 4.591 1.00 0.00 C ATOM 0 H ALA A 79 7.485 1.322 3.838 1.00 0.00 H new ATOM 0 HA ALA A 79 4.877 0.354 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.367 -1.293 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.726 -1.121 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.806 -0.356 5.418 1.00 0.00 H new ATOM 1102 N ALA A 80 5.274 2.187 5.868 1.00 0.00 N ATOM 1103 CA ALA A 80 4.565 2.920 6.907 1.00 0.00 C ATOM 1104 C ALA A 80 3.629 3.949 6.289 1.00 0.00 C ATOM 1105 O ALA A 80 2.627 4.334 6.892 1.00 0.00 O ATOM 1106 CB ALA A 80 5.548 3.599 7.846 1.00 0.00 C ATOM 0 H ALA A 80 6.271 2.396 5.810 1.00 0.00 H new ATOM 0 HA ALA A 80 3.970 2.210 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.000 4.142 8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.183 2.847 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.168 4.296 7.282 1.00 0.00 H new ATOM 1112 N ASN A 81 3.965 4.394 5.081 1.00 0.00 N ATOM 1113 CA ASN A 81 3.151 5.372 4.378 1.00 0.00 C ATOM 1114 C ASN A 81 1.828 4.750 3.956 1.00 0.00 C ATOM 1115 O ASN A 81 0.949 5.429 3.423 1.00 0.00 O ATOM 1116 CB ASN A 81 3.891 5.911 3.153 1.00 0.00 C ATOM 1117 CG ASN A 81 5.274 6.430 3.494 1.00 0.00 C ATOM 1118 OD1 ASN A 81 6.102 6.619 2.473 1.00 0.00 O flip ATOM 1119 ND2 ASN A 81 5.589 6.676 4.658 1.00 0.00 N flip ATOM 0 H ASN A 81 4.795 4.091 4.572 1.00 0.00 H new ATOM 0 HA ASN A 81 2.952 6.202 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.976 5.121 2.407 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.306 6.713 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.921 6.516 5.412 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.518 7.040 4.869 1.00 0.00 H new ATOM 1126 N CYS A 82 1.694 3.450 4.199 1.00 0.00 N ATOM 1127 CA CYS A 82 0.481 2.725 3.852 1.00 0.00 C ATOM 1128 C CYS A 82 -0.030 1.932 5.053 1.00 0.00 C ATOM 1129 O CYS A 82 0.555 0.914 5.424 1.00 0.00 O ATOM 1130 CB CYS A 82 0.750 1.775 2.684 1.00 0.00 C ATOM 1131 SG CYS A 82 1.581 2.555 1.264 1.00 0.00 S ATOM 0 H CYS A 82 2.415 2.877 4.637 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.279 3.448 3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.362 0.946 3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.197 1.352 2.349 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.116 2.399 5.660 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.692 1.719 6.818 1.00 0.00 C ATOM 1138 C GLN A 83 -3.014 1.048 6.457 1.00 0.00 C ATOM 1139 O GLN A 83 -3.865 1.645 5.797 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.900 2.709 7.972 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.671 2.884 8.849 1.00 0.00 C ATOM 1142 CD GLN A 83 -0.911 3.835 10.006 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -1.356 3.294 11.134 1.00 0.00 O flip ATOM 1144 NE2 GLN A 83 -0.696 5.041 9.887 1.00 0.00 N flip ATOM 0 H GLN A 83 -1.614 3.241 5.372 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.992 0.947 7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.185 3.678 7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.731 2.367 8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.366 1.913 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.154 3.257 8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.354 5.413 9.001 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.860 5.668 10.674 1.00 0.00 H new ATOM 1153 N THR A 84 -3.170 -0.201 6.894 1.00 0.00 N ATOM 1154 CA THR A 84 -4.378 -0.972 6.626 1.00 0.00 C ATOM 1155 C THR A 84 -5.636 -0.172 6.973 1.00 0.00 C ATOM 1156 O THR A 84 -5.693 0.472 8.021 1.00 0.00 O ATOM 1157 CB THR A 84 -4.384 -2.285 7.430 1.00 0.00 C ATOM 1158 OG1 THR A 84 -3.041 -2.678 7.740 1.00 0.00 O ATOM 1159 CG2 THR A 84 -5.068 -3.397 6.649 1.00 0.00 C ATOM 0 H THR A 84 -2.468 -0.701 7.439 1.00 0.00 H new ATOM 0 HA THR A 84 -4.381 -1.199 5.560 1.00 0.00 H new ATOM 0 HB THR A 84 -4.938 -2.113 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.055 -3.513 8.253 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.059 -4.314 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.098 -3.112 6.437 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.537 -3.563 5.712 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.664 -0.199 6.097 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.918 0.534 6.326 1.00 0.00 C ATOM 1169 C PRO A 85 -8.655 0.061 7.575 1.00 0.00 C ATOM 1170 O PRO A 85 -8.456 -1.062 8.038 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.753 0.231 5.075 1.00 0.00 C ATOM 1172 CG PRO A 85 -8.153 -1.004 4.497 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.689 -0.939 4.821 1.00 0.00 C ATOM 0 HA PRO A 85 -7.734 1.596 6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.802 0.078 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.714 1.057 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.609 -1.897 4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.313 -1.049 3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.254 -1.933 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.126 -0.422 4.044 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.508 0.929 8.113 1.00 0.00 N ATOM 1182 CA ALA A 86 -10.281 0.608 9.307 1.00 0.00 C ATOM 1183 C ALA A 86 -11.282 -0.511 9.030 1.00 0.00 C ATOM 1184 O ALA A 86 -12.024 -0.462 8.049 1.00 0.00 O ATOM 1185 CB ALA A 86 -11.003 1.848 9.814 1.00 0.00 C ATOM 0 H ALA A 86 -9.681 1.862 7.739 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.590 0.260 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.577 1.596 10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.273 2.620 10.058 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.677 2.218 9.041 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.297 -1.516 9.900 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.211 -2.633 9.730 1.00 0.00 C ATOM 1193 C GLY A 87 -11.575 -3.793 8.986 1.00 0.00 C ATOM 1194 O GLY A 87 -12.064 -4.921 9.049 1.00 0.00 O ATOM 0 H GLY A 87 -10.693 -1.578 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.549 -2.974 10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.094 -2.297 9.187 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.482 -3.516 8.279 1.00 0.00 N ATOM 1199 CA LEU A 88 -9.775 -4.542 7.524 1.00 0.00 C ATOM 1200 C LEU A 88 -8.510 -4.984 8.249 1.00 0.00 C ATOM 1201 O LEU A 88 -7.503 -4.250 8.183 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.433 -4.033 6.133 1.00 0.00 C ATOM 1203 CG LEU A 88 -10.564 -4.144 5.134 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -11.410 -2.880 5.131 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -9.984 -4.420 3.779 1.00 0.00 C ATOM 1206 OXT LEU A 88 -8.536 -6.062 8.879 1.00 0.00 O ATOM 0 H LEU A 88 -10.067 -2.586 8.215 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.433 -5.406 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.129 -2.989 6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.575 -4.589 5.756 1.00 0.00 H new ATOM 0 HG LEU A 88 -11.223 -4.966 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -12.216 -2.984 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.833 -2.723 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -10.788 -2.026 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -10.789 -4.502 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.319 -3.605 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -9.422 -5.354 3.807 1.00 0.00 H new TER 1218 LEU A 88