USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 434 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 24 HIS : no HE2:sc= -3.25 K(o=-3.4,f=-4.3!) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -55:sc= 0.0234 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -143:sc= -0.762 (180deg=-2.45!) USER MOD Single : A 28 LYS NZ :NH3+ -114:sc= -0.602 (180deg=-3.22!) USER MOD Single : A 33 THR OG1 : rot -74:sc= 0.0673 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 46 HIS : no HD1:sc= -0.34 X(o=-0.34,f=0.085) USER MOD Single : A 48 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-0.92) USER MOD Single : A 49 CYS SG : rot 67:sc= 0.917 USER MOD Single : A 50 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 53 SER OG : rot -7:sc= 0.296! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.596 -9.351 -6.038 1.00 0.00 N ATOM 2 CA GLY A 1 -23.043 -9.285 -5.942 1.00 0.00 C ATOM 3 C GLY A 1 -23.557 -7.859 -5.912 1.00 0.00 C ATOM 4 O GLY A 1 -23.597 -7.185 -6.941 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.294 -10.346 -6.055 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.284 -8.880 -6.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.172 -8.875 -5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.485 -9.810 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.368 -9.804 -5.041 1.00 0.00 H new ATOM 8 N SER A 2 -23.954 -7.400 -4.729 1.00 0.00 N ATOM 9 CA SER A 2 -24.474 -6.047 -4.570 1.00 0.00 C ATOM 10 C SER A 2 -23.344 -5.059 -4.296 1.00 0.00 C ATOM 11 O SER A 2 -22.537 -5.258 -3.388 1.00 0.00 O ATOM 12 CB SER A 2 -25.494 -6.000 -3.431 1.00 0.00 C ATOM 13 OG SER A 2 -26.467 -4.995 -3.659 1.00 0.00 O ATOM 0 H SER A 2 -23.925 -7.945 -3.867 1.00 0.00 H new ATOM 0 HA SER A 2 -24.965 -5.762 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.983 -6.969 -3.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.982 -5.808 -2.488 1.00 0.00 H new ATOM 0 HG SER A 2 -27.108 -4.986 -2.918 1.00 0.00 H new ATOM 19 N SER A 3 -23.293 -3.993 -5.088 1.00 0.00 N ATOM 20 CA SER A 3 -22.260 -2.975 -4.935 1.00 0.00 C ATOM 21 C SER A 3 -20.874 -3.568 -5.170 1.00 0.00 C ATOM 22 O SER A 3 -19.935 -3.296 -4.423 1.00 0.00 O ATOM 23 CB SER A 3 -22.331 -2.353 -3.539 1.00 0.00 C ATOM 24 OG SER A 3 -21.667 -1.102 -3.504 1.00 0.00 O ATOM 0 H SER A 3 -23.955 -3.812 -5.842 1.00 0.00 H new ATOM 0 HA SER A 3 -22.435 -2.199 -5.680 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.373 -2.223 -3.248 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.879 -3.029 -2.813 1.00 0.00 H new ATOM 0 HG SER A 3 -20.744 -1.213 -3.813 1.00 0.00 H new ATOM 30 N GLY A 4 -20.754 -4.380 -6.216 1.00 0.00 N ATOM 31 CA GLY A 4 -19.480 -5.000 -6.532 1.00 0.00 C ATOM 32 C GLY A 4 -18.861 -4.439 -7.797 1.00 0.00 C ATOM 33 O GLY A 4 -18.900 -5.075 -8.850 1.00 0.00 O ATOM 0 H GLY A 4 -21.516 -4.620 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.792 -4.855 -5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.621 -6.075 -6.646 1.00 0.00 H new ATOM 37 N SER A 5 -18.290 -3.243 -7.694 1.00 0.00 N ATOM 38 CA SER A 5 -17.664 -2.594 -8.841 1.00 0.00 C ATOM 39 C SER A 5 -16.326 -3.247 -9.172 1.00 0.00 C ATOM 40 O SER A 5 -15.861 -4.133 -8.455 1.00 0.00 O ATOM 41 CB SER A 5 -17.461 -1.103 -8.561 1.00 0.00 C ATOM 42 OG SER A 5 -18.597 -0.352 -8.953 1.00 0.00 O ATOM 0 H SER A 5 -18.248 -2.704 -6.829 1.00 0.00 H new ATOM 0 HA SER A 5 -18.327 -2.709 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.270 -0.952 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.582 -0.745 -9.097 1.00 0.00 H new ATOM 0 HG SER A 5 -18.443 0.597 -8.762 1.00 0.00 H new ATOM 48 N SER A 6 -15.712 -2.804 -10.264 1.00 0.00 N ATOM 49 CA SER A 6 -14.430 -3.347 -10.694 1.00 0.00 C ATOM 50 C SER A 6 -13.283 -2.433 -10.272 1.00 0.00 C ATOM 51 O SER A 6 -13.009 -1.424 -10.919 1.00 0.00 O ATOM 52 CB SER A 6 -14.415 -3.535 -12.213 1.00 0.00 C ATOM 53 OG SER A 6 -13.279 -4.276 -12.624 1.00 0.00 O ATOM 0 H SER A 6 -16.082 -2.070 -10.867 1.00 0.00 H new ATOM 0 HA SER A 6 -14.295 -4.316 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.323 -4.050 -12.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.415 -2.561 -12.703 1.00 0.00 H new ATOM 0 HG SER A 6 -13.294 -4.384 -13.598 1.00 0.00 H new ATOM 59 N GLY A 7 -12.616 -2.797 -9.181 1.00 0.00 N ATOM 60 CA GLY A 7 -11.507 -2.000 -8.690 1.00 0.00 C ATOM 61 C GLY A 7 -11.563 -1.791 -7.189 1.00 0.00 C ATOM 62 O GLY A 7 -12.643 -1.665 -6.613 1.00 0.00 O ATOM 0 H GLY A 7 -12.824 -3.629 -8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.568 -2.489 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.511 -1.031 -9.189 1.00 0.00 H new ATOM 66 N SER A 8 -10.396 -1.757 -6.554 1.00 0.00 N ATOM 67 CA SER A 8 -10.316 -1.568 -5.111 1.00 0.00 C ATOM 68 C SER A 8 -11.270 -0.468 -4.653 1.00 0.00 C ATOM 69 O SER A 8 -11.534 0.484 -5.386 1.00 0.00 O ATOM 70 CB SER A 8 -8.884 -1.220 -4.699 1.00 0.00 C ATOM 71 OG SER A 8 -8.742 -1.232 -3.289 1.00 0.00 O ATOM 0 H SER A 8 -9.493 -1.858 -7.017 1.00 0.00 H new ATOM 0 HA SER A 8 -10.608 -2.502 -4.631 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.191 -1.934 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.620 -0.236 -5.086 1.00 0.00 H new ATOM 0 HG SER A 8 -7.818 -1.008 -3.051 1.00 0.00 H new ATOM 77 N SER A 9 -11.783 -0.608 -3.435 1.00 0.00 N ATOM 78 CA SER A 9 -12.711 0.370 -2.880 1.00 0.00 C ATOM 79 C SER A 9 -11.968 1.619 -2.413 1.00 0.00 C ATOM 80 O SER A 9 -10.826 1.559 -1.958 1.00 0.00 O ATOM 81 CB SER A 9 -13.490 -0.240 -1.713 1.00 0.00 C ATOM 82 OG SER A 9 -14.183 -1.408 -2.117 1.00 0.00 O ATOM 0 H SER A 9 -11.572 -1.389 -2.814 1.00 0.00 H new ATOM 0 HA SER A 9 -13.411 0.657 -3.665 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.804 -0.483 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.199 0.491 -1.323 1.00 0.00 H new ATOM 0 HG SER A 9 -14.671 -1.779 -1.353 1.00 0.00 H new ATOM 88 N PRO A 10 -12.633 2.778 -2.527 1.00 0.00 N ATOM 89 CA PRO A 10 -12.056 4.064 -2.122 1.00 0.00 C ATOM 90 C PRO A 10 -11.911 4.183 -0.608 1.00 0.00 C ATOM 91 O PRO A 10 -11.437 5.198 -0.099 1.00 0.00 O ATOM 92 CB PRO A 10 -13.068 5.087 -2.644 1.00 0.00 C ATOM 93 CG PRO A 10 -14.357 4.342 -2.714 1.00 0.00 C ATOM 94 CD PRO A 10 -13.998 2.924 -3.060 1.00 0.00 C ATOM 0 HA PRO A 10 -11.049 4.201 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.143 5.946 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.777 5.468 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.887 4.389 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.016 4.773 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.686 2.212 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.030 2.753 -4.136 1.00 0.00 H new ATOM 102 N SER A 11 -12.322 3.139 0.105 1.00 0.00 N ATOM 103 CA SER A 11 -12.241 3.129 1.561 1.00 0.00 C ATOM 104 C SER A 11 -10.793 3.003 2.023 1.00 0.00 C ATOM 105 O SER A 11 -10.334 3.761 2.879 1.00 0.00 O ATOM 106 CB SER A 11 -13.072 1.977 2.131 1.00 0.00 C ATOM 107 OG SER A 11 -13.481 2.253 3.459 1.00 0.00 O ATOM 0 H SER A 11 -12.714 2.290 -0.302 1.00 0.00 H new ATOM 0 HA SER A 11 -12.641 4.074 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.948 1.811 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.487 1.057 2.111 1.00 0.00 H new ATOM 0 HG SER A 11 -14.012 1.503 3.800 1.00 0.00 H new ATOM 113 N LEU A 12 -10.077 2.041 1.451 1.00 0.00 N ATOM 114 CA LEU A 12 -8.680 1.815 1.803 1.00 0.00 C ATOM 115 C LEU A 12 -7.800 2.956 1.303 1.00 0.00 C ATOM 116 O LEU A 12 -6.635 3.070 1.687 1.00 0.00 O ATOM 117 CB LEU A 12 -8.194 0.488 1.217 1.00 0.00 C ATOM 118 CG LEU A 12 -8.438 -0.754 2.075 1.00 0.00 C ATOM 119 CD1 LEU A 12 -7.593 -0.705 3.338 1.00 0.00 C ATOM 120 CD2 LEU A 12 -9.914 -0.881 2.423 1.00 0.00 C ATOM 0 H LEU A 12 -10.441 1.405 0.741 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.608 1.774 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.680 0.340 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.124 0.568 1.026 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.144 -1.632 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.780 -1.597 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.538 -0.664 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.855 0.181 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.069 -1.770 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.234 0.001 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.498 -0.964 1.506 1.00 0.00 H new ATOM 132 N LEU A 13 -8.365 3.800 0.447 1.00 0.00 N ATOM 133 CA LEU A 13 -7.634 4.936 -0.103 1.00 0.00 C ATOM 134 C LEU A 13 -8.045 6.234 0.584 1.00 0.00 C ATOM 135 O LEU A 13 -7.264 7.182 0.658 1.00 0.00 O ATOM 136 CB LEU A 13 -7.878 5.043 -1.610 1.00 0.00 C ATOM 137 CG LEU A 13 -7.277 3.930 -2.468 1.00 0.00 C ATOM 138 CD1 LEU A 13 -5.770 3.859 -2.273 1.00 0.00 C ATOM 139 CD2 LEU A 13 -7.922 2.592 -2.136 1.00 0.00 C ATOM 0 H LEU A 13 -9.327 3.719 0.119 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.571 4.774 0.077 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.954 5.067 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.479 5.997 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.477 4.158 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.360 3.061 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.321 4.809 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.548 3.656 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.481 1.812 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.754 2.358 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.993 2.647 -2.328 1.00 0.00 H new ATOM 151 N GLU A 14 -9.275 6.268 1.086 1.00 0.00 N ATOM 152 CA GLU A 14 -9.789 7.449 1.769 1.00 0.00 C ATOM 153 C GLU A 14 -8.735 8.041 2.700 1.00 0.00 C ATOM 154 O GLU A 14 -8.336 9.199 2.570 1.00 0.00 O ATOM 155 CB GLU A 14 -11.049 7.099 2.564 1.00 0.00 C ATOM 156 CG GLU A 14 -12.339 7.342 1.798 1.00 0.00 C ATOM 157 CD GLU A 14 -12.833 8.769 1.925 1.00 0.00 C ATOM 158 OE1 GLU A 14 -11.995 9.672 2.135 1.00 0.00 O ATOM 159 OE2 GLU A 14 -14.058 8.984 1.815 1.00 0.00 O ATOM 0 H GLU A 14 -9.934 5.491 1.033 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.041 8.193 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.003 6.051 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.065 7.687 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.181 7.109 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.108 6.661 2.164 1.00 0.00 H new ATOM 166 N PRO A 15 -8.273 7.229 3.662 1.00 0.00 N ATOM 167 CA PRO A 15 -7.259 7.650 4.634 1.00 0.00 C ATOM 168 C PRO A 15 -5.887 7.837 3.996 1.00 0.00 C ATOM 169 O PRO A 15 -5.157 8.771 4.330 1.00 0.00 O ATOM 170 CB PRO A 15 -7.230 6.495 5.638 1.00 0.00 C ATOM 171 CG PRO A 15 -7.705 5.312 4.868 1.00 0.00 C ATOM 172 CD PRO A 15 -8.704 5.837 3.875 1.00 0.00 C ATOM 0 HA PRO A 15 -7.498 8.615 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.225 6.335 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.876 6.697 6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.876 4.817 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.162 4.575 5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.688 5.265 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.721 5.786 4.263 1.00 0.00 H new ATOM 180 N LEU A 16 -5.541 6.943 3.076 1.00 0.00 N ATOM 181 CA LEU A 16 -4.255 7.010 2.390 1.00 0.00 C ATOM 182 C LEU A 16 -4.230 8.160 1.389 1.00 0.00 C ATOM 183 O LEU A 16 -3.170 8.545 0.895 1.00 0.00 O ATOM 184 CB LEU A 16 -3.968 5.689 1.674 1.00 0.00 C ATOM 185 CG LEU A 16 -3.831 4.456 2.568 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.531 3.221 1.732 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.746 4.673 3.612 1.00 0.00 C ATOM 0 H LEU A 16 -6.133 6.164 2.788 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.481 7.187 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.769 5.506 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.047 5.802 1.101 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.778 4.298 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.437 2.354 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.343 3.055 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.598 3.368 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.662 3.786 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.794 4.857 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.004 5.532 4.231 1.00 0.00 H new ATOM 199 N LEU A 17 -5.405 8.706 1.095 1.00 0.00 N ATOM 200 CA LEU A 17 -5.519 9.815 0.154 1.00 0.00 C ATOM 201 C LEU A 17 -5.553 11.151 0.889 1.00 0.00 C ATOM 202 O LEU A 17 -4.851 12.092 0.519 1.00 0.00 O ATOM 203 CB LEU A 17 -6.778 9.658 -0.701 1.00 0.00 C ATOM 204 CG LEU A 17 -6.726 8.576 -1.780 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.094 8.392 -2.419 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.685 8.924 -2.834 1.00 0.00 C ATOM 0 H LEU A 17 -6.292 8.399 1.494 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.643 9.800 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.618 9.443 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.987 10.613 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.438 7.635 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.037 7.618 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.815 8.096 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.412 9.330 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.662 8.143 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.942 9.876 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.704 9.003 -2.365 1.00 0.00 H new ATOM 218 N ALA A 18 -6.374 11.226 1.932 1.00 0.00 N ATOM 219 CA ALA A 18 -6.496 12.446 2.721 1.00 0.00 C ATOM 220 C ALA A 18 -5.181 12.786 3.414 1.00 0.00 C ATOM 221 O ALA A 18 -4.968 13.921 3.838 1.00 0.00 O ATOM 222 CB ALA A 18 -7.612 12.301 3.745 1.00 0.00 C ATOM 0 H ALA A 18 -6.964 10.457 2.250 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.741 13.264 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.693 13.219 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.555 12.113 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.389 11.467 4.411 1.00 0.00 H new ATOM 228 N MET A 19 -4.303 11.794 3.525 1.00 0.00 N ATOM 229 CA MET A 19 -3.007 11.990 4.166 1.00 0.00 C ATOM 230 C MET A 19 -2.038 12.701 3.228 1.00 0.00 C ATOM 231 O MET A 19 -1.094 13.353 3.672 1.00 0.00 O ATOM 232 CB MET A 19 -2.422 10.645 4.601 1.00 0.00 C ATOM 233 CG MET A 19 -3.150 10.017 5.778 1.00 0.00 C ATOM 234 SD MET A 19 -2.462 10.516 7.368 1.00 0.00 S ATOM 235 CE MET A 19 -1.332 9.164 7.688 1.00 0.00 C ATOM 0 H MET A 19 -4.465 10.848 3.180 1.00 0.00 H new ATOM 0 HA MET A 19 -3.155 12.615 5.046 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.451 9.956 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.373 10.783 4.865 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.203 10.295 5.739 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.104 8.931 5.691 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.334 8.933 8.753 1.00 0.00 H new ATOM 0 HE2 MET A 19 -1.647 8.285 7.125 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.326 9.450 7.381 1.00 0.00 H new ATOM 245 N GLY A 20 -2.277 12.569 1.926 1.00 0.00 N ATOM 246 CA GLY A 20 -1.415 13.204 0.946 1.00 0.00 C ATOM 247 C GLY A 20 -0.960 12.243 -0.135 1.00 0.00 C ATOM 248 O GLY A 20 -0.795 12.632 -1.291 1.00 0.00 O ATOM 0 H GLY A 20 -3.052 12.034 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.945 14.038 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.542 13.620 1.449 1.00 0.00 H new ATOM 252 N PHE A 21 -0.756 10.985 0.241 1.00 0.00 N ATOM 253 CA PHE A 21 -0.315 9.967 -0.704 1.00 0.00 C ATOM 254 C PHE A 21 -1.304 9.831 -1.858 1.00 0.00 C ATOM 255 O PHE A 21 -2.521 9.871 -1.675 1.00 0.00 O ATOM 256 CB PHE A 21 -0.152 8.620 0.004 1.00 0.00 C ATOM 257 CG PHE A 21 0.483 8.729 1.360 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.862 8.724 1.496 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.298 8.836 2.500 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.449 8.823 2.744 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.283 8.936 3.749 1.00 0.00 C ATOM 262 CZ PHE A 21 1.659 8.931 3.871 1.00 0.00 C ATOM 0 H PHE A 21 -0.889 10.646 1.194 1.00 0.00 H new ATOM 0 HA PHE A 21 0.649 10.276 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.131 8.152 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.453 7.962 -0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.485 8.642 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.374 8.841 2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.525 8.816 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.338 9.018 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.116 9.011 4.846 1.00 0.00 H new ATOM 272 N PRO A 22 -0.770 9.667 -3.078 1.00 0.00 N ATOM 273 CA PRO A 22 -1.587 9.522 -4.287 1.00 0.00 C ATOM 274 C PRO A 22 -2.332 8.192 -4.327 1.00 0.00 C ATOM 275 O PRO A 22 -2.462 7.511 -3.310 1.00 0.00 O ATOM 276 CB PRO A 22 -0.559 9.594 -5.419 1.00 0.00 C ATOM 277 CG PRO A 22 0.719 9.145 -4.800 1.00 0.00 C ATOM 278 CD PRO A 22 0.672 9.609 -3.370 1.00 0.00 C ATOM 0 HA PRO A 22 -2.364 10.284 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.842 8.951 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.474 10.607 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.820 8.061 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.576 9.572 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.189 8.917 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.146 10.583 -3.248 1.00 0.00 H new ATOM 286 N VAL A 23 -2.820 7.828 -5.508 1.00 0.00 N ATOM 287 CA VAL A 23 -3.551 6.579 -5.681 1.00 0.00 C ATOM 288 C VAL A 23 -2.606 5.431 -6.021 1.00 0.00 C ATOM 289 O VAL A 23 -2.599 4.399 -5.349 1.00 0.00 O ATOM 290 CB VAL A 23 -4.614 6.699 -6.789 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.054 5.321 -7.260 1.00 0.00 C ATOM 292 CG2 VAL A 23 -5.805 7.509 -6.299 1.00 0.00 C ATOM 0 H VAL A 23 -2.722 8.381 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.047 6.369 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.172 7.222 -7.637 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.805 5.427 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.194 4.779 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.479 4.768 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.546 7.584 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.249 7.016 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.474 8.508 -6.017 1.00 0.00 H new ATOM 302 N HIS A 24 -1.810 5.619 -7.069 1.00 0.00 N ATOM 303 CA HIS A 24 -0.859 4.599 -7.498 1.00 0.00 C ATOM 304 C HIS A 24 -0.009 4.121 -6.325 1.00 0.00 C ATOM 305 O HIS A 24 0.377 2.953 -6.258 1.00 0.00 O ATOM 306 CB HIS A 24 0.041 5.146 -8.606 1.00 0.00 C ATOM 307 CG HIS A 24 0.248 6.627 -8.534 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.049 7.480 -9.576 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.723 7.407 -7.535 1.00 0.00 C ATOM 310 CE1 HIS A 24 0.237 8.720 -9.222 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.706 8.704 -7.987 1.00 0.00 N ATOM 0 H HIS A 24 -1.804 6.467 -7.636 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.423 3.750 -7.884 1.00 0.00 H new ATOM 0 HB2 HIS A 24 1.010 4.649 -8.554 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.394 4.895 -9.573 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -0.430 7.198 -10.479 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.054 7.072 -6.563 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.109 9.598 -9.838 1.00 0.00 H new ATOM 320 N THR A 25 0.282 5.032 -5.400 1.00 0.00 N ATOM 321 CA THR A 25 1.088 4.704 -4.231 1.00 0.00 C ATOM 322 C THR A 25 0.258 3.980 -3.177 1.00 0.00 C ATOM 323 O THR A 25 0.583 2.863 -2.778 1.00 0.00 O ATOM 324 CB THR A 25 1.707 5.967 -3.604 1.00 0.00 C ATOM 325 OG1 THR A 25 2.655 6.548 -4.506 1.00 0.00 O ATOM 326 CG2 THR A 25 2.391 5.637 -2.285 1.00 0.00 C ATOM 0 H THR A 25 -0.029 6.003 -5.439 1.00 0.00 H new ATOM 0 HA THR A 25 1.889 4.048 -4.572 1.00 0.00 H new ATOM 0 HB THR A 25 0.905 6.680 -3.411 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.043 7.351 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.821 6.545 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.661 5.222 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.182 4.907 -2.458 1.00 0.00 H new ATOM 334 N ALA A 26 -0.814 4.625 -2.730 1.00 0.00 N ATOM 335 CA ALA A 26 -1.692 4.041 -1.723 1.00 0.00 C ATOM 336 C ALA A 26 -2.108 2.627 -2.112 1.00 0.00 C ATOM 337 O ALA A 26 -2.339 1.778 -1.250 1.00 0.00 O ATOM 338 CB ALA A 26 -2.919 4.918 -1.521 1.00 0.00 C ATOM 0 H ALA A 26 -1.096 5.552 -3.049 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.141 3.984 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.566 4.470 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.608 5.909 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.464 5.004 -2.461 1.00 0.00 H new ATOM 344 N LEU A 27 -2.203 2.380 -3.413 1.00 0.00 N ATOM 345 CA LEU A 27 -2.593 1.067 -3.916 1.00 0.00 C ATOM 346 C LEU A 27 -1.469 0.054 -3.721 1.00 0.00 C ATOM 347 O LEU A 27 -1.709 -1.086 -3.322 1.00 0.00 O ATOM 348 CB LEU A 27 -2.963 1.156 -5.398 1.00 0.00 C ATOM 349 CG LEU A 27 -4.214 1.970 -5.729 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.136 2.515 -7.147 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.465 1.122 -5.550 1.00 0.00 C ATOM 0 H LEU A 27 -2.015 3.071 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.462 0.732 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.120 1.588 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.101 0.144 -5.779 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.269 2.813 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.035 3.092 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.261 3.158 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.056 1.687 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.346 1.718 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.418 0.260 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.528 0.781 -4.517 1.00 0.00 H new ATOM 363 N LYS A 28 -0.242 0.477 -4.002 1.00 0.00 N ATOM 364 CA LYS A 28 0.920 -0.390 -3.855 1.00 0.00 C ATOM 365 C LYS A 28 1.022 -0.927 -2.431 1.00 0.00 C ATOM 366 O LYS A 28 1.165 -2.131 -2.220 1.00 0.00 O ATOM 367 CB LYS A 28 2.199 0.369 -4.217 1.00 0.00 C ATOM 368 CG LYS A 28 2.575 0.261 -5.684 1.00 0.00 C ATOM 369 CD LYS A 28 3.797 1.104 -6.010 1.00 0.00 C ATOM 370 CE LYS A 28 3.407 2.514 -6.425 1.00 0.00 C ATOM 371 NZ LYS A 28 4.384 3.100 -7.384 1.00 0.00 N ATOM 0 H LYS A 28 -0.026 1.417 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 28 0.800 -1.233 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.073 1.421 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.021 -0.011 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.774 -0.781 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.735 0.582 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.453 1.148 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.363 0.631 -6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.417 2.498 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.341 3.148 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.869 3.904 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.084 2.378 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.882 3.427 -8.234 1.00 0.00 H new ATOM 385 N ALA A 29 0.945 -0.026 -1.457 1.00 0.00 N ATOM 386 CA ALA A 29 1.024 -0.410 -0.053 1.00 0.00 C ATOM 387 C ALA A 29 -0.140 -1.315 0.335 1.00 0.00 C ATOM 388 O ALA A 29 0.045 -2.323 1.018 1.00 0.00 O ATOM 389 CB ALA A 29 1.051 0.828 0.832 1.00 0.00 C ATOM 0 H ALA A 29 0.828 0.975 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 29 1.948 -0.968 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.110 0.526 1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.920 1.436 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.143 1.409 0.673 1.00 0.00 H new ATOM 395 N LEU A 30 -1.340 -0.949 -0.103 1.00 0.00 N ATOM 396 CA LEU A 30 -2.535 -1.728 0.200 1.00 0.00 C ATOM 397 C LEU A 30 -2.385 -3.166 -0.286 1.00 0.00 C ATOM 398 O LEU A 30 -2.461 -4.109 0.501 1.00 0.00 O ATOM 399 CB LEU A 30 -3.764 -1.085 -0.446 1.00 0.00 C ATOM 400 CG LEU A 30 -4.317 0.157 0.254 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.397 0.811 -0.594 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.862 -0.204 1.628 1.00 0.00 C ATOM 0 H LEU A 30 -1.511 -0.118 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.666 -1.741 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.512 -0.817 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.556 -1.832 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.503 0.870 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.779 1.693 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.976 1.105 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.211 0.104 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.251 0.692 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.663 -0.936 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.063 -0.627 2.237 1.00 0.00 H new ATOM 414 N ALA A 31 -2.170 -3.326 -1.588 1.00 0.00 N ATOM 415 CA ALA A 31 -2.005 -4.648 -2.178 1.00 0.00 C ATOM 416 C ALA A 31 -0.876 -5.416 -1.499 1.00 0.00 C ATOM 417 O ALA A 31 -0.930 -6.639 -1.377 1.00 0.00 O ATOM 418 CB ALA A 31 -1.741 -4.531 -3.672 1.00 0.00 C ATOM 0 H ALA A 31 -2.106 -2.556 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.930 -5.203 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.620 -5.526 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.582 -4.030 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.832 -3.952 -3.837 1.00 0.00 H new ATOM 424 N ALA A 32 0.146 -4.689 -1.058 1.00 0.00 N ATOM 425 CA ALA A 32 1.287 -5.302 -0.390 1.00 0.00 C ATOM 426 C ALA A 32 0.899 -5.828 0.988 1.00 0.00 C ATOM 427 O ALA A 32 0.959 -7.031 1.245 1.00 0.00 O ATOM 428 CB ALA A 32 2.429 -4.303 -0.273 1.00 0.00 C ATOM 0 H ALA A 32 0.207 -3.675 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 32 1.618 -6.148 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.275 -4.774 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.732 -3.978 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.100 -3.440 0.306 1.00 0.00 H new ATOM 434 N THR A 33 0.500 -4.919 1.872 1.00 0.00 N ATOM 435 CA THR A 33 0.104 -5.292 3.225 1.00 0.00 C ATOM 436 C THR A 33 -1.011 -6.331 3.204 1.00 0.00 C ATOM 437 O THR A 33 -0.793 -7.496 3.533 1.00 0.00 O ATOM 438 CB THR A 33 -0.366 -4.066 4.030 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.563 -3.530 3.453 1.00 0.00 O ATOM 440 CG2 THR A 33 0.712 -2.993 4.061 1.00 0.00 C ATOM 0 H THR A 33 0.442 -3.920 1.676 1.00 0.00 H new ATOM 0 HA THR A 33 0.984 -5.718 3.707 1.00 0.00 H new ATOM 0 HB THR A 33 -0.567 -4.386 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.344 -3.063 2.620 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.357 -2.137 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.612 -3.395 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.941 -2.677 3.043 1.00 0.00 H new ATOM 448 N GLY A 34 -2.208 -5.901 2.815 1.00 0.00 N ATOM 449 CA GLY A 34 -3.339 -6.807 2.759 1.00 0.00 C ATOM 450 C GLY A 34 -4.668 -6.080 2.820 1.00 0.00 C ATOM 451 O GLY A 34 -5.626 -6.572 3.418 1.00 0.00 O ATOM 0 H GLY A 34 -2.414 -4.941 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.289 -7.389 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.276 -7.513 3.587 1.00 0.00 H new ATOM 455 N ARG A 35 -4.727 -4.905 2.203 1.00 0.00 N ATOM 456 CA ARG A 35 -5.947 -4.107 2.193 1.00 0.00 C ATOM 457 C ARG A 35 -6.651 -4.173 3.545 1.00 0.00 C ATOM 458 O ARG A 35 -7.876 -4.080 3.625 1.00 0.00 O ATOM 459 CB ARG A 35 -6.890 -4.593 1.091 1.00 0.00 C ATOM 460 CG ARG A 35 -6.469 -4.163 -0.305 1.00 0.00 C ATOM 461 CD ARG A 35 -5.377 -5.064 -0.860 1.00 0.00 C ATOM 462 NE ARG A 35 -5.926 -6.227 -1.553 1.00 0.00 N ATOM 463 CZ ARG A 35 -5.227 -7.327 -1.809 1.00 0.00 C ATOM 464 NH1 ARG A 35 -3.959 -7.415 -1.430 1.00 0.00 N ATOM 465 NH2 ARG A 35 -5.797 -8.343 -2.444 1.00 0.00 N ATOM 0 H ARG A 35 -3.944 -4.484 1.703 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.672 -3.071 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.945 -5.681 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.893 -4.216 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.333 -4.185 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.113 -3.133 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.752 -4.494 -1.547 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.734 -5.398 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.899 -6.192 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.518 -6.637 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.425 -8.261 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.772 -8.279 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.260 -9.188 -2.640 1.00 0.00 H new ATOM 479 N LYS A 36 -5.869 -4.335 4.606 1.00 0.00 N ATOM 480 CA LYS A 36 -6.415 -4.413 5.956 1.00 0.00 C ATOM 481 C LYS A 36 -6.930 -3.053 6.414 1.00 0.00 C ATOM 482 O LYS A 36 -8.110 -2.897 6.728 1.00 0.00 O ATOM 483 CB LYS A 36 -5.351 -4.922 6.931 1.00 0.00 C ATOM 484 CG LYS A 36 -5.333 -6.434 7.077 1.00 0.00 C ATOM 485 CD LYS A 36 -6.255 -6.897 8.192 1.00 0.00 C ATOM 486 CE LYS A 36 -7.660 -7.169 7.677 1.00 0.00 C ATOM 487 NZ LYS A 36 -8.526 -7.778 8.724 1.00 0.00 N ATOM 0 H LYS A 36 -4.853 -4.415 4.557 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.251 -5.113 5.943 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.370 -4.586 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.522 -4.473 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.637 -6.895 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.316 -6.769 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.852 -7.802 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.293 -6.137 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.107 -6.237 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.609 -7.835 6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.475 -7.948 8.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.113 -8.680 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.596 -7.132 9.536 1.00 0.00 H new ATOM 501 N THR A 37 -6.037 -2.068 6.449 1.00 0.00 N ATOM 502 CA THR A 37 -6.401 -0.720 6.868 1.00 0.00 C ATOM 503 C THR A 37 -5.388 0.303 6.369 1.00 0.00 C ATOM 504 O THR A 37 -4.413 -0.047 5.705 1.00 0.00 O ATOM 505 CB THR A 37 -6.505 -0.618 8.401 1.00 0.00 C ATOM 506 OG1 THR A 37 -7.200 0.580 8.766 1.00 0.00 O ATOM 507 CG2 THR A 37 -5.124 -0.623 9.039 1.00 0.00 C ATOM 0 H THR A 37 -5.056 -2.179 6.192 1.00 0.00 H new ATOM 0 HA THR A 37 -7.376 -0.505 6.430 1.00 0.00 H new ATOM 0 HB THR A 37 -7.058 -1.484 8.764 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.264 0.637 9.742 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.223 -0.550 10.122 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.608 -1.549 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.549 0.226 8.669 1.00 0.00 H new ATOM 515 N ALA A 38 -5.625 1.570 6.693 1.00 0.00 N ATOM 516 CA ALA A 38 -4.731 2.644 6.280 1.00 0.00 C ATOM 517 C ALA A 38 -3.391 2.553 7.003 1.00 0.00 C ATOM 518 O ALA A 38 -2.335 2.529 6.371 1.00 0.00 O ATOM 519 CB ALA A 38 -5.378 3.997 6.534 1.00 0.00 C ATOM 0 H ALA A 38 -6.429 1.877 7.240 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.546 2.537 5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.699 4.790 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.306 4.069 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.594 4.103 7.597 1.00 0.00 H new ATOM 525 N GLU A 39 -3.443 2.502 8.330 1.00 0.00 N ATOM 526 CA GLU A 39 -2.232 2.414 9.138 1.00 0.00 C ATOM 527 C GLU A 39 -1.253 1.405 8.544 1.00 0.00 C ATOM 528 O GLU A 39 -0.119 1.747 8.212 1.00 0.00 O ATOM 529 CB GLU A 39 -2.579 2.020 10.575 1.00 0.00 C ATOM 530 CG GLU A 39 -1.393 2.073 11.524 1.00 0.00 C ATOM 531 CD GLU A 39 -0.622 0.768 11.566 1.00 0.00 C ATOM 532 OE1 GLU A 39 -1.238 -0.275 11.868 1.00 0.00 O ATOM 533 OE2 GLU A 39 0.598 0.789 11.298 1.00 0.00 O ATOM 0 H GLU A 39 -4.309 2.520 8.868 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.757 3.395 9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.360 2.683 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.990 1.011 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.723 2.877 11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.745 2.315 12.527 1.00 0.00 H new ATOM 540 N GLU A 40 -1.702 0.160 8.416 1.00 0.00 N ATOM 541 CA GLU A 40 -0.865 -0.899 7.864 1.00 0.00 C ATOM 542 C GLU A 40 -0.174 -0.436 6.585 1.00 0.00 C ATOM 543 O GLU A 40 0.989 -0.758 6.343 1.00 0.00 O ATOM 544 CB GLU A 40 -1.705 -2.147 7.580 1.00 0.00 C ATOM 545 CG GLU A 40 -1.777 -3.111 8.752 1.00 0.00 C ATOM 546 CD GLU A 40 -2.915 -2.790 9.702 1.00 0.00 C ATOM 547 OE1 GLU A 40 -2.790 -1.812 10.468 1.00 0.00 O ATOM 548 OE2 GLU A 40 -3.930 -3.517 9.679 1.00 0.00 O ATOM 0 H GLU A 40 -2.639 -0.139 8.687 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.100 -1.144 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.716 -1.841 7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.288 -2.667 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.899 -4.127 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.834 -3.084 9.298 1.00 0.00 H new ATOM 555 N ALA A 41 -0.899 0.322 5.768 1.00 0.00 N ATOM 556 CA ALA A 41 -0.357 0.831 4.515 1.00 0.00 C ATOM 557 C ALA A 41 0.697 1.904 4.768 1.00 0.00 C ATOM 558 O ALA A 41 1.690 1.997 4.045 1.00 0.00 O ATOM 559 CB ALA A 41 -1.474 1.382 3.641 1.00 0.00 C ATOM 0 H ALA A 41 -1.864 0.597 5.952 1.00 0.00 H new ATOM 0 HA ALA A 41 0.123 0.003 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.054 1.759 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.190 0.589 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.980 2.193 4.165 1.00 0.00 H new ATOM 565 N LEU A 42 0.475 2.713 5.799 1.00 0.00 N ATOM 566 CA LEU A 42 1.406 3.780 6.147 1.00 0.00 C ATOM 567 C LEU A 42 2.768 3.212 6.531 1.00 0.00 C ATOM 568 O LEU A 42 3.805 3.805 6.235 1.00 0.00 O ATOM 569 CB LEU A 42 0.846 4.615 7.300 1.00 0.00 C ATOM 570 CG LEU A 42 -0.014 5.815 6.904 1.00 0.00 C ATOM 571 CD1 LEU A 42 0.852 6.929 6.337 1.00 0.00 C ATOM 572 CD2 LEU A 42 -1.079 5.400 5.899 1.00 0.00 C ATOM 0 H LEU A 42 -0.341 2.650 6.408 1.00 0.00 H new ATOM 0 HA LEU A 42 1.533 4.417 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.251 3.962 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.681 4.975 7.901 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.513 6.190 7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.222 7.775 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.576 7.246 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.380 6.566 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.682 6.267 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.600 4.998 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.719 4.637 6.342 1.00 0.00 H new ATOM 584 N ALA A 43 2.758 2.057 7.189 1.00 0.00 N ATOM 585 CA ALA A 43 3.992 1.406 7.609 1.00 0.00 C ATOM 586 C ALA A 43 4.780 0.896 6.407 1.00 0.00 C ATOM 587 O ALA A 43 6.005 0.784 6.458 1.00 0.00 O ATOM 588 CB ALA A 43 3.687 0.263 8.566 1.00 0.00 C ATOM 0 H ALA A 43 1.908 1.553 7.443 1.00 0.00 H new ATOM 0 HA ALA A 43 4.605 2.144 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.618 -0.214 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.173 0.652 9.445 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.051 -0.469 8.068 1.00 0.00 H new ATOM 594 N TRP A 44 4.070 0.588 5.328 1.00 0.00 N ATOM 595 CA TRP A 44 4.704 0.088 4.113 1.00 0.00 C ATOM 596 C TRP A 44 5.128 1.239 3.208 1.00 0.00 C ATOM 597 O TRP A 44 6.100 1.127 2.459 1.00 0.00 O ATOM 598 CB TRP A 44 3.751 -0.843 3.362 1.00 0.00 C ATOM 599 CG TRP A 44 4.317 -1.360 2.074 1.00 0.00 C ATOM 600 CD1 TRP A 44 4.733 -2.635 1.815 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.532 -0.613 0.872 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.193 -2.726 0.523 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.080 -1.500 -0.077 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.314 0.717 0.503 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.412 -1.096 -1.367 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.644 1.115 -0.779 1.00 0.00 C ATOM 607 CH2 TRP A 44 5.187 0.212 -1.701 1.00 0.00 C ATOM 0 H TRP A 44 3.055 0.675 5.269 1.00 0.00 H new ATOM 0 HA TRP A 44 5.595 -0.471 4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.498 -1.687 4.004 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.823 -0.311 3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.705 -3.451 2.521 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.559 -3.570 0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.895 1.421 1.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.832 -1.790 -2.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.480 2.141 -1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.433 0.554 -2.695 1.00 0.00 H new ATOM 618 N LEU A 45 4.395 2.345 3.281 1.00 0.00 N ATOM 619 CA LEU A 45 4.697 3.518 2.468 1.00 0.00 C ATOM 620 C LEU A 45 5.909 4.264 3.016 1.00 0.00 C ATOM 621 O LEU A 45 6.727 4.783 2.257 1.00 0.00 O ATOM 622 CB LEU A 45 3.487 4.453 2.418 1.00 0.00 C ATOM 623 CG LEU A 45 2.252 3.914 1.697 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.015 4.707 2.091 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.454 3.954 0.189 1.00 0.00 C ATOM 0 H LEU A 45 3.588 2.454 3.895 1.00 0.00 H new ATOM 0 HA LEU A 45 4.929 3.180 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.205 4.705 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.790 5.381 1.933 1.00 0.00 H new ATOM 0 HG LEU A 45 2.105 2.876 1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.146 4.309 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.859 4.627 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.153 5.754 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.564 3.566 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.627 4.982 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.315 3.342 -0.079 1.00 0.00 H new ATOM 637 N HIS A 46 6.018 4.312 4.340 1.00 0.00 N ATOM 638 CA HIS A 46 7.133 4.992 4.991 1.00 0.00 C ATOM 639 C HIS A 46 8.442 4.251 4.741 1.00 0.00 C ATOM 640 O HIS A 46 9.520 4.846 4.778 1.00 0.00 O ATOM 641 CB HIS A 46 6.878 5.109 6.494 1.00 0.00 C ATOM 642 CG HIS A 46 6.150 6.359 6.883 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.794 7.530 7.223 1.00 0.00 N ATOM 644 CD2 HIS A 46 4.825 6.617 6.983 1.00 0.00 C ATOM 645 CE1 HIS A 46 5.896 8.454 7.517 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.694 7.925 7.378 1.00 0.00 N ATOM 0 H HIS A 46 5.349 3.889 4.983 1.00 0.00 H new ATOM 0 HA HIS A 46 7.216 5.992 4.565 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.302 4.245 6.825 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.832 5.076 7.020 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.021 5.923 6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.109 9.469 7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.811 8.410 7.538 1.00 0.00 H new ATOM 655 N ASP A 47 8.342 2.951 4.487 1.00 0.00 N ATOM 656 CA ASP A 47 9.519 2.129 4.231 1.00 0.00 C ATOM 657 C ASP A 47 9.780 2.006 2.733 1.00 0.00 C ATOM 658 O ASP A 47 10.928 1.921 2.297 1.00 0.00 O ATOM 659 CB ASP A 47 9.340 0.740 4.845 1.00 0.00 C ATOM 660 CG ASP A 47 10.658 0.119 5.266 1.00 0.00 C ATOM 661 OD1 ASP A 47 11.595 0.099 4.440 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.753 -0.346 6.421 1.00 0.00 O ATOM 0 H ASP A 47 7.458 2.444 4.453 1.00 0.00 H new ATOM 0 HA ASP A 47 10.379 2.614 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.682 0.811 5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.848 0.088 4.123 1.00 0.00 H new ATOM 667 N HIS A 48 8.706 1.996 1.949 1.00 0.00 N ATOM 668 CA HIS A 48 8.819 1.882 0.499 1.00 0.00 C ATOM 669 C HIS A 48 8.584 3.233 -0.171 1.00 0.00 C ATOM 670 O HIS A 48 7.888 3.321 -1.184 1.00 0.00 O ATOM 671 CB HIS A 48 7.820 0.855 -0.033 1.00 0.00 C ATOM 672 CG HIS A 48 8.182 -0.560 0.299 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.650 -1.457 -0.639 1.00 0.00 N ATOM 674 CD2 HIS A 48 8.146 -1.232 1.473 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.883 -2.619 -0.056 1.00 0.00 C ATOM 676 NE2 HIS A 48 8.586 -2.509 1.226 1.00 0.00 N ATOM 0 H HIS A 48 7.748 2.065 2.293 1.00 0.00 H new ATOM 0 HA HIS A 48 9.830 1.549 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.834 1.074 0.375 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.747 0.958 -1.116 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.830 -0.837 2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.253 -3.508 -0.545 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.670 -3.252 1.920 1.00 0.00 H new ATOM 685 N CYS A 49 9.166 4.281 0.400 1.00 0.00 N ATOM 686 CA CYS A 49 9.018 5.627 -0.141 1.00 0.00 C ATOM 687 C CYS A 49 10.353 6.155 -0.658 1.00 0.00 C ATOM 688 O CYS A 49 10.413 6.804 -1.701 1.00 0.00 O ATOM 689 CB CYS A 49 8.462 6.570 0.926 1.00 0.00 C ATOM 690 SG CYS A 49 8.800 8.319 0.615 1.00 0.00 S ATOM 0 H CYS A 49 9.745 4.225 1.238 1.00 0.00 H new ATOM 0 HA CYS A 49 8.318 5.581 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.384 6.426 0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.884 6.296 1.893 1.00 0.00 H new ATOM 0 HG CYS A 49 8.155 8.704 -0.446 1.00 0.00 H new ATOM 696 N ASN A 50 11.421 5.873 0.081 1.00 0.00 N ATOM 697 CA ASN A 50 12.755 6.321 -0.302 1.00 0.00 C ATOM 698 C ASN A 50 13.134 5.786 -1.679 1.00 0.00 C ATOM 699 O ASN A 50 13.684 6.512 -2.508 1.00 0.00 O ATOM 700 CB ASN A 50 13.785 5.868 0.735 1.00 0.00 C ATOM 701 CG ASN A 50 13.350 6.176 2.155 1.00 0.00 C ATOM 702 OD1 ASN A 50 13.060 5.270 2.937 1.00 0.00 O ATOM 703 ND2 ASN A 50 13.303 7.459 2.494 1.00 0.00 N ATOM 0 H ASN A 50 11.389 5.337 0.948 1.00 0.00 H new ATOM 0 HA ASN A 50 12.747 7.410 -0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.951 4.796 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.738 6.359 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.018 7.728 3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.552 8.176 1.813 1.00 0.00 H new ATOM 710 N ASP A 51 12.837 4.514 -1.916 1.00 0.00 N ATOM 711 CA ASP A 51 13.145 3.882 -3.194 1.00 0.00 C ATOM 712 C ASP A 51 12.875 4.837 -4.352 1.00 0.00 C ATOM 713 O ASP A 51 11.936 5.633 -4.327 1.00 0.00 O ATOM 714 CB ASP A 51 12.320 2.605 -3.368 1.00 0.00 C ATOM 715 CG ASP A 51 12.651 1.556 -2.325 1.00 0.00 C ATOM 716 OD1 ASP A 51 13.749 0.966 -2.403 1.00 0.00 O ATOM 717 OD2 ASP A 51 11.812 1.325 -1.429 1.00 0.00 O ATOM 0 H ASP A 51 12.383 3.899 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 51 14.204 3.625 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.260 2.850 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.497 2.194 -4.362 1.00 0.00 H new ATOM 722 N PRO A 52 13.719 4.760 -5.392 1.00 0.00 N ATOM 723 CA PRO A 52 13.593 5.611 -6.579 1.00 0.00 C ATOM 724 C PRO A 52 12.370 5.258 -7.418 1.00 0.00 C ATOM 725 O PRO A 52 11.607 6.135 -7.821 1.00 0.00 O ATOM 726 CB PRO A 52 14.878 5.325 -7.359 1.00 0.00 C ATOM 727 CG PRO A 52 15.288 3.960 -6.926 1.00 0.00 C ATOM 728 CD PRO A 52 14.861 3.835 -5.489 1.00 0.00 C ATOM 0 HA PRO A 52 13.463 6.661 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 52 14.705 5.364 -8.435 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.650 6.061 -7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.813 3.196 -7.542 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.365 3.826 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.573 2.813 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.663 4.113 -4.806 1.00 0.00 H new ATOM 736 N SER A 53 12.190 3.967 -7.679 1.00 0.00 N ATOM 737 CA SER A 53 11.062 3.498 -8.474 1.00 0.00 C ATOM 738 C SER A 53 9.739 3.880 -7.818 1.00 0.00 C ATOM 739 O SER A 53 8.678 3.804 -8.441 1.00 0.00 O ATOM 740 CB SER A 53 11.134 1.980 -8.655 1.00 0.00 C ATOM 741 OG SER A 53 9.910 1.467 -9.152 1.00 0.00 O ATOM 0 H SER A 53 12.811 3.227 -7.351 1.00 0.00 H new ATOM 0 HA SER A 53 11.115 3.977 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.942 1.731 -9.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.369 1.508 -7.701 1.00 0.00 H new ATOM 0 HG SER A 53 9.237 2.179 -9.162 1.00 0.00 H new ATOM 747 N LEU A 54 9.808 4.291 -6.557 1.00 0.00 N ATOM 748 CA LEU A 54 8.617 4.686 -5.814 1.00 0.00 C ATOM 749 C LEU A 54 8.706 6.145 -5.376 1.00 0.00 C ATOM 750 O LEU A 54 8.371 6.484 -4.241 1.00 0.00 O ATOM 751 CB LEU A 54 8.432 3.786 -4.591 1.00 0.00 C ATOM 752 CG LEU A 54 8.174 2.306 -4.880 1.00 0.00 C ATOM 753 CD1 LEU A 54 8.650 1.445 -3.721 1.00 0.00 C ATOM 754 CD2 LEU A 54 6.697 2.066 -5.154 1.00 0.00 C ATOM 0 H LEU A 54 10.677 4.359 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 54 7.756 4.575 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.324 3.864 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.599 4.172 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 54 8.738 2.025 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.458 0.396 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.719 1.595 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.114 1.727 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.532 1.008 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.112 2.364 -4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.387 2.654 -6.018 1.00 0.00 H new ATOM 766 N ASP A 55 9.159 7.003 -6.284 1.00 0.00 N ATOM 767 CA ASP A 55 9.289 8.426 -5.993 1.00 0.00 C ATOM 768 C ASP A 55 7.923 9.058 -5.748 1.00 0.00 C ATOM 769 O ASP A 55 6.968 8.800 -6.481 1.00 0.00 O ATOM 770 CB ASP A 55 9.997 9.141 -7.145 1.00 0.00 C ATOM 771 CG ASP A 55 11.495 8.911 -7.136 1.00 0.00 C ATOM 772 OD1 ASP A 55 12.116 9.091 -6.068 1.00 0.00 O ATOM 773 OD2 ASP A 55 12.048 8.552 -8.197 1.00 0.00 O ATOM 0 H ASP A 55 9.442 6.738 -7.227 1.00 0.00 H new ATOM 0 HA ASP A 55 9.886 8.533 -5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.585 8.794 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.796 10.211 -7.083 1.00 0.00 H new ATOM 778 N ASP A 56 7.837 9.886 -4.713 1.00 0.00 N ATOM 779 CA ASP A 56 6.587 10.556 -4.371 1.00 0.00 C ATOM 780 C ASP A 56 6.778 12.068 -4.319 1.00 0.00 C ATOM 781 O ASP A 56 7.871 12.572 -4.062 1.00 0.00 O ATOM 782 CB ASP A 56 6.063 10.048 -3.027 1.00 0.00 C ATOM 783 CG ASP A 56 6.324 8.569 -2.825 1.00 0.00 C ATOM 784 OD1 ASP A 56 5.816 7.761 -3.631 1.00 0.00 O ATOM 785 OD2 ASP A 56 7.036 8.218 -1.860 1.00 0.00 O ATOM 0 H ASP A 56 8.618 10.110 -4.096 1.00 0.00 H new ATOM 0 HA ASP A 56 5.856 10.327 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.534 10.610 -2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.991 10.237 -2.963 1.00 0.00 H new ATOM 790 N PRO A 57 5.689 12.811 -4.569 1.00 0.00 N ATOM 791 CA PRO A 57 5.711 14.277 -4.557 1.00 0.00 C ATOM 792 C PRO A 57 5.895 14.842 -3.153 1.00 0.00 C ATOM 793 O PRO A 57 6.594 15.837 -2.961 1.00 0.00 O ATOM 794 CB PRO A 57 4.336 14.657 -5.111 1.00 0.00 C ATOM 795 CG PRO A 57 3.466 13.489 -4.800 1.00 0.00 C ATOM 796 CD PRO A 57 4.353 12.277 -4.883 1.00 0.00 C ATOM 0 HA PRO A 57 6.544 14.677 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.959 15.567 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.379 14.844 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.026 13.583 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.641 13.418 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.050 11.508 -4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.324 11.824 -5.874 1.00 0.00 H new ATOM 804 N ILE A 58 5.262 14.202 -2.175 1.00 0.00 N ATOM 805 CA ILE A 58 5.358 14.641 -0.789 1.00 0.00 C ATOM 806 C ILE A 58 6.766 15.123 -0.460 1.00 0.00 C ATOM 807 O ILE A 58 7.740 14.391 -0.634 1.00 0.00 O ATOM 808 CB ILE A 58 4.972 13.513 0.187 1.00 0.00 C ATOM 809 CG1 ILE A 58 3.507 13.119 -0.008 1.00 0.00 C ATOM 810 CG2 ILE A 58 5.224 13.946 1.623 1.00 0.00 C ATOM 811 CD1 ILE A 58 3.126 11.839 0.703 1.00 0.00 C ATOM 0 H ILE A 58 4.678 13.378 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 58 4.658 15.468 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 58 5.593 12.642 -0.023 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.871 13.928 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.308 13.006 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.946 13.139 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.281 14.181 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.626 14.829 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.074 11.621 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.737 11.018 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.293 11.954 1.774 1.00 0.00 H new ATOM 823 N SER A 59 6.867 16.359 0.018 1.00 0.00 N ATOM 824 CA SER A 59 8.157 16.940 0.369 1.00 0.00 C ATOM 825 C SER A 59 8.524 16.615 1.814 1.00 0.00 C ATOM 826 O SER A 59 9.565 16.018 2.083 1.00 0.00 O ATOM 827 CB SER A 59 8.129 18.457 0.167 1.00 0.00 C ATOM 828 OG SER A 59 8.227 18.790 -1.206 1.00 0.00 O ATOM 0 H SER A 59 6.070 16.977 0.171 1.00 0.00 H new ATOM 0 HA SER A 59 8.913 16.507 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.206 18.865 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.952 18.915 0.715 1.00 0.00 H new ATOM 0 HG SER A 59 8.205 19.764 -1.309 1.00 0.00 H new ATOM 834 N GLY A 60 7.659 17.013 2.742 1.00 0.00 N ATOM 835 CA GLY A 60 7.908 16.756 4.148 1.00 0.00 C ATOM 836 C GLY A 60 8.167 18.027 4.933 1.00 0.00 C ATOM 837 O GLY A 60 7.242 18.695 5.397 1.00 0.00 O ATOM 0 H GLY A 60 6.790 17.509 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.051 16.236 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.766 16.091 4.246 1.00 0.00 H new ATOM 841 N PRO A 61 9.452 18.377 5.093 1.00 0.00 N ATOM 842 CA PRO A 61 9.860 19.578 5.828 1.00 0.00 C ATOM 843 C PRO A 61 9.500 20.861 5.087 1.00 0.00 C ATOM 844 O PRO A 61 10.086 21.176 4.051 1.00 0.00 O ATOM 845 CB PRO A 61 11.379 19.430 5.934 1.00 0.00 C ATOM 846 CG PRO A 61 11.758 18.570 4.778 1.00 0.00 C ATOM 847 CD PRO A 61 10.606 17.628 4.567 1.00 0.00 C ATOM 0 HA PRO A 61 9.358 19.656 6.792 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.875 20.399 5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.667 18.971 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.938 19.171 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.677 18.022 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.478 17.380 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.752 16.689 5.100 1.00 0.00 H new ATOM 855 N SER A 62 8.534 21.599 5.625 1.00 0.00 N ATOM 856 CA SER A 62 8.094 22.847 5.013 1.00 0.00 C ATOM 857 C SER A 62 7.168 23.615 5.950 1.00 0.00 C ATOM 858 O SER A 62 6.701 23.080 6.955 1.00 0.00 O ATOM 859 CB SER A 62 7.381 22.566 3.689 1.00 0.00 C ATOM 860 OG SER A 62 6.351 21.608 3.858 1.00 0.00 O ATOM 0 H SER A 62 8.041 21.354 6.484 1.00 0.00 H new ATOM 0 HA SER A 62 8.975 23.459 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.960 23.491 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.101 22.205 2.954 1.00 0.00 H new ATOM 0 HG SER A 62 5.910 21.447 2.998 1.00 0.00 H new ATOM 866 N SER A 63 6.906 24.874 5.613 1.00 0.00 N ATOM 867 CA SER A 63 6.038 25.718 6.426 1.00 0.00 C ATOM 868 C SER A 63 4.929 26.333 5.577 1.00 0.00 C ATOM 869 O SER A 63 5.119 26.610 4.394 1.00 0.00 O ATOM 870 CB SER A 63 6.853 26.824 7.100 1.00 0.00 C ATOM 871 OG SER A 63 7.446 27.679 6.138 1.00 0.00 O ATOM 0 H SER A 63 7.282 25.332 4.783 1.00 0.00 H new ATOM 0 HA SER A 63 5.581 25.094 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.208 27.405 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.629 26.380 7.724 1.00 0.00 H new ATOM 0 HG SER A 63 7.960 28.378 6.594 1.00 0.00 H new ATOM 877 N GLY A 64 3.770 26.545 6.193 1.00 0.00 N ATOM 878 CA GLY A 64 2.647 27.125 5.480 1.00 0.00 C ATOM 879 C GLY A 64 2.002 26.147 4.518 1.00 0.00 C ATOM 880 O GLY A 64 1.251 25.264 4.932 1.00 0.00 O ATOM 0 H GLY A 64 3.589 26.326 7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.902 27.467 6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.985 28.002 4.929 1.00 0.00 H new TER 884 GLY A 64