USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 456 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 29 SER OG : rot 80:sc= 1.55 USER MOD Set 1.2: A 32 THR OG1 : rot -167:sc= 0.985 USER MOD Set 2.1: A 16 SER OG : rot -44:sc= 0.547 USER MOD Set 2.2: A 22 SER OG : rot 31:sc= 0.944 USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -161:sc= -0.0738 (180deg=-0.686) USER MOD Single : A 7 ASN : amide:sc= -2.83 K(o=-2.8,f=-6.3!) USER MOD Single : A 9 SER OG : rot 180:sc= -0.244 USER MOD Single : A 10 SER OG : rot 180:sc= -0.044 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -18:sc= 0.44 USER MOD Single : A 31 ASN : amide:sc= -0.336! X(o=-0.34!,f=-0.49) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.26 (180deg=-1.52) USER MOD Single : A 35 THR OG1 : rot 59:sc= 1.14 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.37 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 54 TYR OH : rot 130:sc= -0.0236 USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= -0.633 (180deg=-0.775) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.745 12.258 -11.960 1.00 1.00 N ATOM 2 CA MET A 1 2.486 13.089 -10.956 1.00 1.00 C ATOM 3 C MET A 1 2.273 12.501 -9.555 1.00 1.00 C ATOM 4 O MET A 1 3.190 11.961 -8.937 1.00 1.00 O ATOM 5 CB MET A 1 1.958 14.544 -11.021 1.00 1.00 C ATOM 6 CG MET A 1 2.766 15.458 -10.078 1.00 1.00 C ATOM 7 SD MET A 1 2.192 17.164 -10.236 1.00 1.00 S ATOM 8 CE MET A 1 3.188 17.837 -8.883 1.00 1.00 C ATOM 0 H1 MET A 1 1.887 12.654 -12.911 1.00 1.00 H new ATOM 0 H2 MET A 1 2.103 11.282 -11.934 1.00 1.00 H new ATOM 0 H3 MET A 1 0.730 12.261 -11.732 1.00 1.00 H new ATOM 0 HA MET A 1 3.553 13.087 -11.177 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.026 14.916 -12.043 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.904 14.567 -10.743 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.655 15.121 -9.047 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.827 15.398 -10.320 1.00 1.00 H new ATOM 0 HE1 MET A 1 2.997 18.906 -8.787 1.00 1.00 H new ATOM 0 HE2 MET A 1 2.923 17.336 -7.952 1.00 1.00 H new ATOM 0 HE3 MET A 1 4.245 17.675 -9.094 1.00 1.00 H new ATOM 20 N LYS A 2 1.042 12.619 -9.067 1.00 1.00 N ATOM 21 CA LYS A 2 0.674 12.106 -7.730 1.00 1.00 C ATOM 22 C LYS A 2 0.489 10.592 -7.765 1.00 1.00 C ATOM 23 O LYS A 2 -0.251 10.020 -6.966 1.00 1.00 O ATOM 24 CB LYS A 2 -0.630 12.785 -7.257 1.00 1.00 C ATOM 25 CG LYS A 2 -1.771 12.545 -8.277 1.00 1.00 C ATOM 26 CD LYS A 2 -3.070 13.227 -7.798 1.00 1.00 C ATOM 27 CE LYS A 2 -4.204 12.952 -8.802 1.00 1.00 C ATOM 28 NZ LYS A 2 -3.809 13.482 -10.137 1.00 1.00 N ATOM 0 H LYS A 2 0.274 13.064 -9.570 1.00 1.00 H new ATOM 0 HA LYS A 2 1.479 12.337 -7.032 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -0.918 12.392 -6.282 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -0.465 13.855 -7.133 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -1.484 12.938 -9.253 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -1.938 11.475 -8.401 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -3.346 12.853 -6.812 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -2.912 14.301 -7.699 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -4.400 11.882 -8.865 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -5.127 13.426 -8.467 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -4.656 13.598 -10.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -3.340 14.403 -10.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -3.155 12.816 -10.595 1.00 1.00 H new ATOM 42 N THR A 3 1.178 9.950 -8.703 1.00 1.00 N ATOM 43 CA THR A 3 1.099 8.492 -8.868 1.00 1.00 C ATOM 44 C THR A 3 2.499 7.908 -8.974 1.00 1.00 C ATOM 45 O THR A 3 3.454 8.574 -9.372 1.00 1.00 O ATOM 46 CB THR A 3 0.291 8.153 -10.138 1.00 1.00 C ATOM 47 OG1 THR A 3 0.992 8.624 -11.279 1.00 1.00 O ATOM 48 CG2 THR A 3 -1.092 8.828 -10.079 1.00 1.00 C ATOM 0 H THR A 3 1.801 10.413 -9.365 1.00 1.00 H new ATOM 0 HA THR A 3 0.598 8.061 -8.001 1.00 1.00 H new ATOM 0 HB THR A 3 0.161 7.073 -10.201 1.00 1.00 H new ATOM 0 HG1 THR A 3 0.482 8.409 -12.088 1.00 1.00 H new ATOM 0 HG21 THR A 3 -1.655 8.583 -10.980 1.00 1.00 H new ATOM 0 HG22 THR A 3 -1.634 8.471 -9.204 1.00 1.00 H new ATOM 0 HG23 THR A 3 -0.967 9.909 -10.012 1.00 1.00 H new ATOM 56 N GLY A 4 2.607 6.634 -8.605 1.00 1.00 N ATOM 57 CA GLY A 4 3.883 5.923 -8.639 1.00 1.00 C ATOM 58 C GLY A 4 3.672 4.482 -9.065 1.00 1.00 C ATOM 59 O GLY A 4 2.567 3.939 -9.007 1.00 1.00 O ATOM 0 H GLY A 4 1.822 6.070 -8.278 1.00 1.00 H new ATOM 0 HA2 GLY A 4 4.564 6.418 -9.331 1.00 1.00 H new ATOM 0 HA3 GLY A 4 4.350 5.954 -7.655 1.00 1.00 H new ATOM 63 N ILE A 5 4.761 3.858 -9.504 1.00 1.00 N ATOM 64 CA ILE A 5 4.727 2.453 -9.965 1.00 1.00 C ATOM 65 C ILE A 5 5.465 1.568 -8.960 1.00 1.00 C ATOM 66 O ILE A 5 6.552 1.896 -8.486 1.00 1.00 O ATOM 67 CB ILE A 5 5.384 2.328 -11.371 1.00 1.00 C ATOM 68 CG1 ILE A 5 4.654 3.280 -12.374 1.00 1.00 C ATOM 69 CG2 ILE A 5 5.280 0.854 -11.875 1.00 1.00 C ATOM 70 CD1 ILE A 5 5.393 3.327 -13.723 1.00 1.00 C ATOM 0 H ILE A 5 5.682 4.293 -9.554 1.00 1.00 H new ATOM 0 HA ILE A 5 3.689 2.128 -10.039 1.00 1.00 H new ATOM 0 HB ILE A 5 6.435 2.609 -11.304 1.00 1.00 H new ATOM 0 HG12 ILE A 5 3.631 2.938 -12.527 1.00 1.00 H new ATOM 0 HG13 ILE A 5 4.595 4.283 -11.952 1.00 1.00 H new ATOM 0 HG21 ILE A 5 5.741 0.773 -12.859 1.00 1.00 H new ATOM 0 HG22 ILE A 5 5.795 0.194 -11.177 1.00 1.00 H new ATOM 0 HG23 ILE A 5 4.231 0.565 -11.941 1.00 1.00 H new ATOM 0 HD11 ILE A 5 4.866 3.996 -14.404 1.00 1.00 H new ATOM 0 HD12 ILE A 5 6.408 3.692 -13.569 1.00 1.00 H new ATOM 0 HD13 ILE A 5 5.429 2.326 -14.153 1.00 1.00 H new ATOM 82 N VAL A 6 4.856 0.427 -8.654 1.00 1.00 N ATOM 83 CA VAL A 6 5.451 -0.524 -7.712 1.00 1.00 C ATOM 84 C VAL A 6 6.479 -1.389 -8.443 1.00 1.00 C ATOM 85 O VAL A 6 6.205 -1.951 -9.504 1.00 1.00 O ATOM 86 CB VAL A 6 4.346 -1.416 -7.101 1.00 1.00 C ATOM 87 CG1 VAL A 6 4.948 -2.379 -6.042 1.00 1.00 C ATOM 88 CG2 VAL A 6 3.278 -0.517 -6.445 1.00 1.00 C ATOM 0 H VAL A 6 3.957 0.137 -9.039 1.00 1.00 H new ATOM 0 HA VAL A 6 5.947 0.022 -6.909 1.00 1.00 H new ATOM 0 HB VAL A 6 3.891 -2.014 -7.891 1.00 1.00 H new ATOM 0 HG11 VAL A 6 4.156 -2.999 -5.622 1.00 1.00 H new ATOM 0 HG12 VAL A 6 5.697 -3.016 -6.513 1.00 1.00 H new ATOM 0 HG13 VAL A 6 5.415 -1.799 -5.246 1.00 1.00 H new ATOM 0 HG21 VAL A 6 2.495 -1.139 -6.012 1.00 1.00 H new ATOM 0 HG22 VAL A 6 3.740 0.084 -5.661 1.00 1.00 H new ATOM 0 HG23 VAL A 6 2.844 0.141 -7.198 1.00 1.00 H new ATOM 98 N ASN A 7 7.663 -1.498 -7.851 1.00 1.00 N ATOM 99 CA ASN A 7 8.733 -2.305 -8.450 1.00 1.00 C ATOM 100 C ASN A 7 8.285 -3.770 -8.591 1.00 1.00 C ATOM 101 O ASN A 7 8.141 -4.488 -7.601 1.00 1.00 O ATOM 102 CB ASN A 7 9.991 -2.233 -7.570 1.00 1.00 C ATOM 103 CG ASN A 7 10.442 -0.783 -7.407 1.00 1.00 C ATOM 104 OD1 ASN A 7 9.684 0.151 -7.684 1.00 1.00 O ATOM 105 ND2 ASN A 7 11.641 -0.540 -6.966 1.00 1.00 N ATOM 0 H ASN A 7 7.910 -1.047 -6.970 1.00 1.00 H new ATOM 0 HA ASN A 7 8.958 -1.909 -9.440 1.00 1.00 H new ATOM 0 HB2 ASN A 7 9.785 -2.669 -6.592 1.00 1.00 H new ATOM 0 HB3 ASN A 7 10.791 -2.822 -8.019 1.00 1.00 H new ATOM 0 HD21 ASN A 7 11.956 0.423 -6.849 1.00 1.00 H new ATOM 0 HD22 ASN A 7 12.267 -1.312 -6.737 1.00 1.00 H new ATOM 112 N VAL A 8 8.065 -4.196 -9.831 1.00 1.00 N ATOM 113 CA VAL A 8 7.630 -5.574 -10.097 1.00 1.00 C ATOM 114 C VAL A 8 8.734 -6.563 -9.707 1.00 1.00 C ATOM 115 O VAL A 8 9.900 -6.378 -10.057 1.00 1.00 O ATOM 116 CB VAL A 8 7.277 -5.735 -11.600 1.00 1.00 C ATOM 117 CG1 VAL A 8 8.540 -5.521 -12.495 1.00 1.00 C ATOM 118 CG2 VAL A 8 6.665 -7.143 -11.863 1.00 1.00 C ATOM 0 H VAL A 8 8.178 -3.618 -10.664 1.00 1.00 H new ATOM 0 HA VAL A 8 6.744 -5.786 -9.499 1.00 1.00 H new ATOM 0 HB VAL A 8 6.540 -4.975 -11.860 1.00 1.00 H new ATOM 0 HG11 VAL A 8 8.267 -5.639 -13.544 1.00 1.00 H new ATOM 0 HG12 VAL A 8 8.935 -4.518 -12.333 1.00 1.00 H new ATOM 0 HG13 VAL A 8 9.300 -6.257 -12.233 1.00 1.00 H new ATOM 0 HG21 VAL A 8 6.422 -7.242 -12.921 1.00 1.00 H new ATOM 0 HG22 VAL A 8 7.386 -7.911 -11.582 1.00 1.00 H new ATOM 0 HG23 VAL A 8 5.758 -7.262 -11.270 1.00 1.00 H new ATOM 128 N SER A 9 8.353 -7.615 -8.991 1.00 1.00 N ATOM 129 CA SER A 9 9.317 -8.634 -8.566 1.00 1.00 C ATOM 130 C SER A 9 8.585 -9.834 -7.970 1.00 1.00 C ATOM 131 O SER A 9 8.768 -10.972 -8.403 1.00 1.00 O ATOM 132 CB SER A 9 10.289 -8.046 -7.522 1.00 1.00 C ATOM 133 OG SER A 9 9.556 -7.636 -6.376 1.00 1.00 O ATOM 0 H SER A 9 7.393 -7.788 -8.693 1.00 1.00 H new ATOM 0 HA SER A 9 9.886 -8.960 -9.437 1.00 1.00 H new ATOM 0 HB2 SER A 9 11.035 -8.790 -7.243 1.00 1.00 H new ATOM 0 HB3 SER A 9 10.827 -7.198 -7.946 1.00 1.00 H new ATOM 0 HG SER A 9 10.171 -7.264 -5.710 1.00 1.00 H new ATOM 139 N SER A 10 7.766 -9.569 -6.956 1.00 1.00 N ATOM 140 CA SER A 10 7.005 -10.639 -6.280 1.00 1.00 C ATOM 141 C SER A 10 5.661 -10.103 -5.755 1.00 1.00 C ATOM 142 O SER A 10 4.761 -9.777 -6.528 1.00 1.00 O ATOM 143 CB SER A 10 7.867 -11.202 -5.134 1.00 1.00 C ATOM 144 OG SER A 10 9.055 -11.768 -5.674 1.00 1.00 O ATOM 0 H SER A 10 7.607 -8.634 -6.580 1.00 1.00 H new ATOM 0 HA SER A 10 6.778 -11.437 -6.987 1.00 1.00 H new ATOM 0 HB2 SER A 10 8.116 -10.410 -4.428 1.00 1.00 H new ATOM 0 HB3 SER A 10 7.309 -11.958 -4.581 1.00 1.00 H new ATOM 0 HG SER A 10 9.607 -12.126 -4.947 1.00 1.00 H new ATOM 150 N SER A 11 5.546 -10.022 -4.432 1.00 1.00 N ATOM 151 CA SER A 11 4.315 -9.537 -3.784 1.00 1.00 C ATOM 152 C SER A 11 4.650 -8.560 -2.667 1.00 1.00 C ATOM 153 O SER A 11 5.642 -8.705 -1.951 1.00 1.00 O ATOM 154 CB SER A 11 3.537 -10.719 -3.209 1.00 1.00 C ATOM 155 OG SER A 11 2.336 -10.239 -2.619 1.00 1.00 O ATOM 0 H SER A 11 6.286 -10.284 -3.781 1.00 1.00 H new ATOM 0 HA SER A 11 3.707 -9.025 -4.530 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.309 -11.438 -3.996 1.00 1.00 H new ATOM 0 HB3 SER A 11 4.140 -11.241 -2.465 1.00 1.00 H new ATOM 0 HG SER A 11 1.830 -10.992 -2.249 1.00 1.00 H new ATOM 161 N LEU A 12 3.807 -7.541 -2.537 1.00 1.00 N ATOM 162 CA LEU A 12 3.991 -6.504 -1.506 1.00 1.00 C ATOM 163 C LEU A 12 3.043 -6.761 -0.327 1.00 1.00 C ATOM 164 O LEU A 12 1.892 -7.168 -0.487 1.00 1.00 O ATOM 165 CB LEU A 12 3.749 -5.093 -2.141 1.00 1.00 C ATOM 166 CG LEU A 12 5.052 -4.530 -2.814 1.00 1.00 C ATOM 167 CD1 LEU A 12 6.179 -4.222 -1.751 1.00 1.00 C ATOM 168 CD2 LEU A 12 5.557 -5.527 -3.916 1.00 1.00 C ATOM 0 H LEU A 12 2.987 -7.404 -3.128 1.00 1.00 H new ATOM 0 HA LEU A 12 5.011 -6.538 -1.123 1.00 1.00 H new ATOM 0 HB2 LEU A 12 2.955 -5.159 -2.884 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.408 -4.401 -1.371 1.00 1.00 H new ATOM 0 HG LEU A 12 4.807 -3.580 -3.289 1.00 1.00 H new ATOM 0 HD11 LEU A 12 7.062 -3.835 -2.259 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.815 -3.481 -1.040 1.00 1.00 H new ATOM 0 HD13 LEU A 12 6.438 -5.138 -1.220 1.00 1.00 H new ATOM 0 HD21 LEU A 12 6.461 -5.131 -4.379 1.00 1.00 H new ATOM 0 HD22 LEU A 12 5.776 -6.493 -3.460 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.785 -5.651 -4.676 1.00 1.00 H new ATOM 180 N ASN A 13 3.563 -6.508 0.869 1.00 1.00 N ATOM 181 CA ASN A 13 2.811 -6.701 2.106 1.00 1.00 C ATOM 182 C ASN A 13 2.135 -5.394 2.500 1.00 1.00 C ATOM 183 O ASN A 13 2.787 -4.367 2.684 1.00 1.00 O ATOM 184 CB ASN A 13 3.783 -7.148 3.212 1.00 1.00 C ATOM 185 CG ASN A 13 4.481 -8.440 2.794 1.00 1.00 C ATOM 186 OD1 ASN A 13 3.832 -9.371 2.315 1.00 1.00 O ATOM 187 ND2 ASN A 13 5.772 -8.550 2.942 1.00 1.00 N ATOM 0 H ASN A 13 4.513 -6.165 1.009 1.00 1.00 H new ATOM 0 HA ASN A 13 2.045 -7.463 1.964 1.00 1.00 H new ATOM 0 HB2 ASN A 13 4.522 -6.368 3.397 1.00 1.00 H new ATOM 0 HB3 ASN A 13 3.241 -7.302 4.145 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.246 -9.408 2.661 1.00 1.00 H new ATOM 0 HD22 ASN A 13 6.307 -7.778 3.339 1.00 1.00 H new ATOM 194 N VAL A 14 0.815 -5.451 2.645 1.00 1.00 N ATOM 195 CA VAL A 14 0.050 -4.254 3.019 1.00 1.00 C ATOM 196 C VAL A 14 -0.184 -4.263 4.518 1.00 1.00 C ATOM 197 O VAL A 14 -0.883 -5.128 5.042 1.00 1.00 O ATOM 198 CB VAL A 14 -1.295 -4.210 2.258 1.00 1.00 C ATOM 199 CG1 VAL A 14 -2.113 -2.945 2.653 1.00 1.00 C ATOM 200 CG2 VAL A 14 -1.019 -4.178 0.736 1.00 1.00 C ATOM 0 H VAL A 14 0.256 -6.294 2.513 1.00 1.00 H new ATOM 0 HA VAL A 14 0.616 -3.363 2.748 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.872 -5.097 2.520 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -3.055 -2.935 2.105 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -2.316 -2.963 3.724 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -1.541 -2.050 2.407 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -1.965 -4.147 0.195 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -0.432 -3.293 0.491 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -0.465 -5.072 0.448 1.00 1.00 H new ATOM 210 N ARG A 15 0.399 -3.286 5.207 1.00 1.00 N ATOM 211 CA ARG A 15 0.242 -3.163 6.652 1.00 1.00 C ATOM 212 C ARG A 15 -1.009 -2.336 6.964 1.00 1.00 C ATOM 213 O ARG A 15 -1.658 -1.775 6.082 1.00 1.00 O ATOM 214 CB ARG A 15 1.488 -2.483 7.239 1.00 1.00 C ATOM 215 CG ARG A 15 2.737 -3.364 7.004 1.00 1.00 C ATOM 216 CD ARG A 15 3.992 -2.640 7.511 1.00 1.00 C ATOM 217 NE ARG A 15 5.183 -3.447 7.248 1.00 1.00 N ATOM 218 CZ ARG A 15 6.406 -2.993 7.521 1.00 1.00 C ATOM 219 NH1 ARG A 15 6.561 -1.804 8.043 1.00 1.00 N ATOM 220 NH2 ARG A 15 7.445 -3.736 7.270 1.00 1.00 N ATOM 0 H ARG A 15 0.986 -2.566 4.786 1.00 1.00 H new ATOM 0 HA ARG A 15 0.130 -4.151 7.097 1.00 1.00 H new ATOM 0 HB2 ARG A 15 1.630 -1.506 6.776 1.00 1.00 H new ATOM 0 HB3 ARG A 15 1.350 -2.313 8.307 1.00 1.00 H new ATOM 0 HG2 ARG A 15 2.623 -4.317 7.521 1.00 1.00 H new ATOM 0 HG3 ARG A 15 2.840 -3.588 5.942 1.00 1.00 H new ATOM 0 HD2 ARG A 15 4.085 -1.671 7.020 1.00 1.00 H new ATOM 0 HD3 ARG A 15 3.903 -2.448 8.580 1.00 1.00 H new ATOM 0 HE ARG A 15 5.075 -4.378 6.847 1.00 1.00 H new ATOM 0 HH11 ARG A 15 5.746 -1.224 8.241 1.00 1.00 H new ATOM 0 HH12 ARG A 15 7.497 -1.457 8.252 1.00 1.00 H new ATOM 0 HH21 ARG A 15 7.322 -4.664 6.865 1.00 1.00 H new ATOM 0 HH22 ARG A 15 8.382 -3.390 7.478 1.00 1.00 H new ATOM 234 N SER A 16 -1.335 -2.275 8.252 1.00 1.00 N ATOM 235 CA SER A 16 -2.517 -1.521 8.721 1.00 1.00 C ATOM 236 C SER A 16 -2.102 -0.140 9.212 1.00 1.00 C ATOM 237 O SER A 16 -2.932 0.763 9.320 1.00 1.00 O ATOM 238 CB SER A 16 -3.190 -2.296 9.859 1.00 1.00 C ATOM 239 OG SER A 16 -2.312 -2.345 10.972 1.00 1.00 O ATOM 0 H SER A 16 -0.807 -2.733 8.995 1.00 1.00 H new ATOM 0 HA SER A 16 -3.217 -1.400 7.894 1.00 1.00 H new ATOM 0 HB2 SER A 16 -4.126 -1.814 10.140 1.00 1.00 H new ATOM 0 HB3 SER A 16 -3.438 -3.306 9.531 1.00 1.00 H new ATOM 0 HG SER A 16 -1.406 -2.558 10.665 1.00 1.00 H new ATOM 245 N SER A 17 -0.818 0.018 9.518 1.00 1.00 N ATOM 246 CA SER A 17 -0.285 1.304 10.007 1.00 1.00 C ATOM 247 C SER A 17 1.180 1.486 9.580 1.00 1.00 C ATOM 248 O SER A 17 1.680 0.799 8.688 1.00 1.00 O ATOM 249 CB SER A 17 -0.397 1.346 11.539 1.00 1.00 C ATOM 250 OG SER A 17 0.486 0.383 12.102 1.00 1.00 O ATOM 0 H SER A 17 -0.121 -0.722 9.439 1.00 1.00 H new ATOM 0 HA SER A 17 -0.867 2.117 9.573 1.00 1.00 H new ATOM 0 HB2 SER A 17 -0.149 2.342 11.906 1.00 1.00 H new ATOM 0 HB3 SER A 17 -1.422 1.139 11.846 1.00 1.00 H new ATOM 0 HG SER A 17 0.418 0.409 13.079 1.00 1.00 H new ATOM 256 N ALA A 18 1.857 2.424 10.236 1.00 1.00 N ATOM 257 CA ALA A 18 3.279 2.727 9.941 1.00 1.00 C ATOM 258 C ALA A 18 4.188 2.075 10.992 1.00 1.00 C ATOM 259 O ALA A 18 5.023 2.739 11.606 1.00 1.00 O ATOM 260 CB ALA A 18 3.484 4.258 9.929 1.00 1.00 C ATOM 0 H ALA A 18 1.455 2.995 10.979 1.00 1.00 H new ATOM 0 HA ALA A 18 3.540 2.323 8.963 1.00 1.00 H new ATOM 0 HB1 ALA A 18 4.528 4.484 9.712 1.00 1.00 H new ATOM 0 HB2 ALA A 18 2.850 4.704 9.163 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.219 4.668 10.903 1.00 1.00 H new ATOM 266 N SER A 19 4.019 0.770 11.177 1.00 1.00 N ATOM 267 CA SER A 19 4.824 -0.002 12.149 1.00 1.00 C ATOM 268 C SER A 19 5.224 -1.363 11.564 1.00 1.00 C ATOM 269 O SER A 19 4.425 -2.051 10.929 1.00 1.00 O ATOM 270 CB SER A 19 4.019 -0.219 13.437 1.00 1.00 C ATOM 271 OG SER A 19 4.801 -0.982 14.346 1.00 1.00 O ATOM 0 H SER A 19 3.332 0.212 10.670 1.00 1.00 H new ATOM 0 HA SER A 19 5.728 0.565 12.371 1.00 1.00 H new ATOM 0 HB2 SER A 19 3.753 0.740 13.881 1.00 1.00 H new ATOM 0 HB3 SER A 19 3.086 -0.737 13.216 1.00 1.00 H new ATOM 0 HG SER A 19 4.295 -1.124 15.173 1.00 1.00 H new ATOM 277 N THR A 20 6.479 -1.735 11.793 1.00 1.00 N ATOM 278 CA THR A 20 7.004 -3.012 11.297 1.00 1.00 C ATOM 279 C THR A 20 6.332 -4.183 12.006 1.00 1.00 C ATOM 280 O THR A 20 6.230 -5.283 11.466 1.00 1.00 O ATOM 281 CB THR A 20 8.526 -3.071 11.509 1.00 1.00 C ATOM 282 OG1 THR A 20 8.992 -4.360 11.142 1.00 1.00 O ATOM 283 CG2 THR A 20 8.884 -2.799 12.984 1.00 1.00 C ATOM 0 H THR A 20 7.153 -1.176 12.316 1.00 1.00 H new ATOM 0 HA THR A 20 6.787 -3.085 10.231 1.00 1.00 H new ATOM 0 HB THR A 20 8.999 -2.307 10.892 1.00 1.00 H new ATOM 0 HG1 THR A 20 9.962 -4.407 11.272 1.00 1.00 H new ATOM 0 HG21 THR A 20 9.966 -2.846 13.110 1.00 1.00 H new ATOM 0 HG22 THR A 20 8.528 -1.809 13.268 1.00 1.00 H new ATOM 0 HG23 THR A 20 8.412 -3.550 13.617 1.00 1.00 H new ATOM 291 N SER A 21 5.881 -3.932 13.231 1.00 1.00 N ATOM 292 CA SER A 21 5.215 -4.968 14.032 1.00 1.00 C ATOM 293 C SER A 21 3.778 -5.162 13.553 1.00 1.00 C ATOM 294 O SER A 21 3.093 -6.082 14.001 1.00 1.00 O ATOM 295 CB SER A 21 5.225 -4.558 15.512 1.00 1.00 C ATOM 296 OG SER A 21 6.570 -4.389 15.936 1.00 1.00 O ATOM 0 H SER A 21 5.961 -3.027 13.694 1.00 1.00 H new ATOM 0 HA SER A 21 5.751 -5.910 13.915 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.668 -3.631 15.650 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.732 -5.319 16.117 1.00 1.00 H new ATOM 0 HG SER A 21 6.585 -4.125 16.880 1.00 1.00 H new ATOM 302 N SER A 22 3.329 -4.300 12.646 1.00 1.00 N ATOM 303 CA SER A 22 1.966 -4.392 12.116 1.00 1.00 C ATOM 304 C SER A 22 1.795 -5.683 11.306 1.00 1.00 C ATOM 305 O SER A 22 2.550 -5.949 10.370 1.00 1.00 O ATOM 306 CB SER A 22 1.666 -3.185 11.220 1.00 1.00 C ATOM 307 OG SER A 22 0.320 -3.261 10.775 1.00 1.00 O ATOM 0 H SER A 22 3.882 -3.533 12.263 1.00 1.00 H new ATOM 0 HA SER A 22 1.270 -4.401 12.955 1.00 1.00 H new ATOM 0 HB2 SER A 22 1.828 -2.258 11.770 1.00 1.00 H new ATOM 0 HB3 SER A 22 2.344 -3.172 10.367 1.00 1.00 H new ATOM 0 HG SER A 22 -0.225 -3.706 11.457 1.00 1.00 H new ATOM 313 N LYS A 23 0.797 -6.475 11.681 1.00 1.00 N ATOM 314 CA LYS A 23 0.529 -7.738 10.991 1.00 1.00 C ATOM 315 C LYS A 23 0.034 -7.470 9.578 1.00 1.00 C ATOM 316 O LYS A 23 -0.322 -6.344 9.232 1.00 1.00 O ATOM 317 CB LYS A 23 -0.531 -8.536 11.768 1.00 1.00 C ATOM 318 CG LYS A 23 -0.001 -8.871 13.178 1.00 1.00 C ATOM 319 CD LYS A 23 -1.057 -9.677 13.961 1.00 1.00 C ATOM 320 CE LYS A 23 -0.528 -10.024 15.362 1.00 1.00 C ATOM 321 NZ LYS A 23 -1.573 -10.782 16.098 1.00 1.00 N ATOM 0 H LYS A 23 0.162 -6.270 12.453 1.00 1.00 H new ATOM 0 HA LYS A 23 1.452 -8.315 10.938 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -1.452 -7.958 11.843 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -0.773 -9.454 11.233 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.923 -9.444 13.101 1.00 1.00 H new ATOM 0 HG3 LYS A 23 0.238 -7.952 13.714 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.978 -9.099 14.045 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.302 -10.591 13.420 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.383 -10.617 15.284 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -0.271 -9.114 15.904 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.224 -11.021 17.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -2.431 -10.200 16.181 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.797 -11.656 15.581 1.00 1.00 H new ATOM 335 N VAL A 24 0.019 -8.517 8.759 1.00 1.00 N ATOM 336 CA VAL A 24 -0.433 -8.403 7.372 1.00 1.00 C ATOM 337 C VAL A 24 -1.973 -8.340 7.322 1.00 1.00 C ATOM 338 O VAL A 24 -2.670 -9.294 7.666 1.00 1.00 O ATOM 339 CB VAL A 24 0.080 -9.607 6.540 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.205 -9.372 5.036 1.00 1.00 C ATOM 341 CG2 VAL A 24 1.603 -9.785 6.761 1.00 1.00 C ATOM 0 H VAL A 24 0.314 -9.455 9.030 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.028 -7.486 6.945 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.439 -10.509 6.864 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.159 -10.223 4.460 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.278 -9.262 4.882 1.00 1.00 H new ATOM 0 HG13 VAL A 24 0.304 -8.466 4.706 1.00 1.00 H new ATOM 0 HG21 VAL A 24 1.959 -10.632 6.175 1.00 1.00 H new ATOM 0 HG22 VAL A 24 2.124 -8.881 6.446 1.00 1.00 H new ATOM 0 HG23 VAL A 24 1.798 -9.967 7.818 1.00 1.00 H new ATOM 351 N ILE A 25 -2.478 -7.192 6.885 1.00 1.00 N ATOM 352 CA ILE A 25 -3.920 -6.973 6.773 1.00 1.00 C ATOM 353 C ILE A 25 -4.373 -7.232 5.341 1.00 1.00 C ATOM 354 O ILE A 25 -5.565 -7.400 5.092 1.00 1.00 O ATOM 355 CB ILE A 25 -4.259 -5.516 7.217 1.00 1.00 C ATOM 356 CG1 ILE A 25 -5.740 -5.180 6.863 1.00 1.00 C ATOM 357 CG2 ILE A 25 -3.306 -4.513 6.522 1.00 1.00 C ATOM 358 CD1 ILE A 25 -6.251 -3.970 7.653 1.00 1.00 C ATOM 0 H ILE A 25 -1.910 -6.394 6.601 1.00 1.00 H new ATOM 0 HA ILE A 25 -4.452 -7.666 7.425 1.00 1.00 H new ATOM 0 HB ILE A 25 -4.128 -5.437 8.296 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -5.822 -4.978 5.795 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -6.370 -6.044 7.074 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -3.551 -3.499 6.839 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -2.276 -4.740 6.797 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -3.419 -4.593 5.441 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -7.286 -3.767 7.379 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -6.193 -4.182 8.721 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -5.637 -3.099 7.422 1.00 1.00 H new ATOM 370 N GLY A 26 -3.428 -7.244 4.405 1.00 1.00 N ATOM 371 CA GLY A 26 -3.752 -7.473 2.997 1.00 1.00 C ATOM 372 C GLY A 26 -2.496 -7.758 2.197 1.00 1.00 C ATOM 373 O GLY A 26 -1.447 -8.096 2.745 1.00 1.00 O ATOM 0 H GLY A 26 -2.436 -7.099 4.593 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.443 -8.312 2.910 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.259 -6.599 2.588 1.00 1.00 H new ATOM 377 N SER A 27 -2.609 -7.616 0.880 1.00 1.00 N ATOM 378 CA SER A 27 -1.472 -7.857 -0.008 1.00 1.00 C ATOM 379 C SER A 27 -1.690 -7.143 -1.337 1.00 1.00 C ATOM 380 O SER A 27 -2.756 -7.236 -1.945 1.00 1.00 O ATOM 381 CB SER A 27 -1.310 -9.359 -0.245 1.00 1.00 C ATOM 382 OG SER A 27 -1.113 -9.997 1.007 1.00 1.00 O ATOM 0 H SER A 27 -3.468 -7.338 0.405 1.00 1.00 H new ATOM 0 HA SER A 27 -0.567 -7.469 0.459 1.00 1.00 H new ATOM 0 HB2 SER A 27 -2.194 -9.761 -0.739 1.00 1.00 H new ATOM 0 HB3 SER A 27 -0.462 -9.549 -0.904 1.00 1.00 H new ATOM 0 HG SER A 27 -0.841 -9.332 1.674 1.00 1.00 H new ATOM 388 N LEU A 28 -0.660 -6.435 -1.786 1.00 1.00 N ATOM 389 CA LEU A 28 -0.719 -5.697 -3.061 1.00 1.00 C ATOM 390 C LEU A 28 0.192 -6.365 -4.092 1.00 1.00 C ATOM 391 O LEU A 28 1.221 -6.953 -3.758 1.00 1.00 O ATOM 392 CB LEU A 28 -0.294 -4.210 -2.848 1.00 1.00 C ATOM 393 CG LEU A 28 -0.772 -3.285 -4.042 1.00 1.00 C ATOM 394 CD1 LEU A 28 -2.212 -2.759 -3.785 1.00 1.00 C ATOM 395 CD2 LEU A 28 0.203 -2.090 -4.229 1.00 1.00 C ATOM 0 H LEU A 28 0.229 -6.351 -1.293 1.00 1.00 H new ATOM 0 HA LEU A 28 -1.744 -5.714 -3.430 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -0.715 -3.842 -1.912 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.790 -4.152 -2.755 1.00 1.00 H new ATOM 0 HG LEU A 28 -0.775 -3.883 -4.954 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -2.522 -2.126 -4.616 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -2.897 -3.602 -3.696 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -2.228 -2.180 -2.862 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -0.141 -1.465 -5.053 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.234 -1.499 -3.314 1.00 1.00 H new ATOM 0 HD23 LEU A 28 1.202 -2.466 -4.451 1.00 1.00 H new ATOM 407 N SER A 29 -0.205 -6.258 -5.355 1.00 1.00 N ATOM 408 CA SER A 29 0.565 -6.838 -6.463 1.00 1.00 C ATOM 409 C SER A 29 1.550 -5.807 -6.995 1.00 1.00 C ATOM 410 O SER A 29 1.397 -4.601 -6.800 1.00 1.00 O ATOM 411 CB SER A 29 -0.396 -7.285 -7.581 1.00 1.00 C ATOM 412 OG SER A 29 -1.220 -6.192 -7.953 1.00 1.00 O ATOM 0 H SER A 29 -1.056 -5.775 -5.643 1.00 1.00 H new ATOM 0 HA SER A 29 1.121 -7.706 -6.107 1.00 1.00 H new ATOM 0 HB2 SER A 29 0.170 -7.639 -8.443 1.00 1.00 H new ATOM 0 HB3 SER A 29 -1.010 -8.118 -7.238 1.00 1.00 H new ATOM 0 HG SER A 29 -0.724 -5.598 -8.554 1.00 1.00 H new ATOM 418 N GLY A 30 2.570 -6.304 -7.689 1.00 1.00 N ATOM 419 CA GLY A 30 3.593 -5.432 -8.272 1.00 1.00 C ATOM 420 C GLY A 30 3.078 -4.793 -9.562 1.00 1.00 C ATOM 421 O GLY A 30 2.232 -5.357 -10.256 1.00 1.00 O ATOM 0 H GLY A 30 2.713 -7.299 -7.862 1.00 1.00 H new ATOM 0 HA2 GLY A 30 3.867 -4.655 -7.558 1.00 1.00 H new ATOM 0 HA3 GLY A 30 4.495 -6.007 -8.479 1.00 1.00 H new ATOM 425 N ASN A 31 3.603 -3.613 -9.875 1.00 1.00 N ATOM 426 CA ASN A 31 3.203 -2.883 -11.092 1.00 1.00 C ATOM 427 C ASN A 31 1.772 -2.359 -10.955 1.00 1.00 C ATOM 428 O ASN A 31 1.119 -2.037 -11.948 1.00 1.00 O ATOM 429 CB ASN A 31 3.322 -3.799 -12.358 1.00 1.00 C ATOM 430 CG ASN A 31 3.506 -2.972 -13.633 1.00 1.00 C ATOM 431 OD1 ASN A 31 4.132 -3.434 -14.588 1.00 1.00 O ATOM 432 ND2 ASN A 31 2.996 -1.776 -13.701 1.00 1.00 N ATOM 0 H ASN A 31 4.305 -3.135 -9.310 1.00 1.00 H new ATOM 0 HA ASN A 31 3.878 -2.036 -11.215 1.00 1.00 H new ATOM 0 HB2 ASN A 31 4.166 -4.479 -12.239 1.00 1.00 H new ATOM 0 HB3 ASN A 31 2.427 -4.415 -12.448 1.00 1.00 H new ATOM 0 HD21 ASN A 31 3.114 -1.219 -14.547 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.478 -1.397 -12.908 1.00 1.00 H new ATOM 439 N THR A 32 1.294 -2.279 -9.717 1.00 1.00 N ATOM 440 CA THR A 32 -0.076 -1.791 -9.457 1.00 1.00 C ATOM 441 C THR A 32 -0.064 -0.276 -9.293 1.00 1.00 C ATOM 442 O THR A 32 0.832 0.286 -8.666 1.00 1.00 O ATOM 443 CB THR A 32 -0.642 -2.453 -8.187 1.00 1.00 C ATOM 444 OG1 THR A 32 -0.517 -3.853 -8.325 1.00 1.00 O ATOM 445 CG2 THR A 32 -2.136 -2.096 -7.991 1.00 1.00 C ATOM 0 H THR A 32 1.819 -2.539 -8.882 1.00 1.00 H new ATOM 0 HA THR A 32 -0.711 -2.053 -10.303 1.00 1.00 H new ATOM 0 HB THR A 32 -0.088 -2.093 -7.320 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.046 -4.299 -7.631 1.00 1.00 H new ATOM 0 HG21 THR A 32 -2.509 -2.577 -7.087 1.00 1.00 H new ATOM 0 HG22 THR A 32 -2.243 -1.015 -7.898 1.00 1.00 H new ATOM 0 HG23 THR A 32 -2.709 -2.444 -8.850 1.00 1.00 H new ATOM 453 N LYS A 33 -1.077 0.377 -9.855 1.00 1.00 N ATOM 454 CA LYS A 33 -1.187 1.835 -9.761 1.00 1.00 C ATOM 455 C LYS A 33 -1.908 2.223 -8.465 1.00 1.00 C ATOM 456 O LYS A 33 -2.886 1.593 -8.065 1.00 1.00 O ATOM 457 CB LYS A 33 -1.953 2.388 -10.981 1.00 1.00 C ATOM 458 CG LYS A 33 -1.930 3.937 -10.968 1.00 1.00 C ATOM 459 CD LYS A 33 -2.640 4.496 -12.214 1.00 1.00 C ATOM 460 CE LYS A 33 -2.575 6.034 -12.195 1.00 1.00 C ATOM 461 NZ LYS A 33 -3.238 6.533 -10.957 1.00 1.00 N ATOM 0 H LYS A 33 -1.829 -0.073 -10.377 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.186 2.266 -9.750 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -1.502 2.018 -11.902 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.983 2.032 -10.965 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -2.419 4.306 -10.067 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.900 4.291 -10.939 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.167 4.113 -13.118 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -3.678 4.165 -12.233 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -1.538 6.367 -12.227 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -3.068 6.442 -13.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -3.548 7.515 -11.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -4.063 5.937 -10.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -2.566 6.495 -10.164 1.00 1.00 H new ATOM 475 N VAL A 34 -1.410 3.274 -7.821 1.00 1.00 N ATOM 476 CA VAL A 34 -1.996 3.770 -6.563 1.00 1.00 C ATOM 477 C VAL A 34 -1.935 5.316 -6.518 1.00 1.00 C ATOM 478 O VAL A 34 -0.865 5.912 -6.634 1.00 1.00 O ATOM 479 CB VAL A 34 -1.237 3.142 -5.349 1.00 1.00 C ATOM 480 CG1 VAL A 34 -1.567 1.629 -5.218 1.00 1.00 C ATOM 481 CG2 VAL A 34 0.296 3.314 -5.522 1.00 1.00 C ATOM 0 H VAL A 34 -0.601 3.805 -8.144 1.00 1.00 H new ATOM 0 HA VAL A 34 -3.044 3.474 -6.508 1.00 1.00 H new ATOM 0 HB VAL A 34 -1.562 3.660 -4.447 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -1.029 1.212 -4.367 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -2.639 1.502 -5.067 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -1.265 1.111 -6.128 1.00 1.00 H new ATOM 0 HG21 VAL A 34 0.810 2.872 -4.669 1.00 1.00 H new ATOM 0 HG22 VAL A 34 0.617 2.816 -6.437 1.00 1.00 H new ATOM 0 HG23 VAL A 34 0.539 4.375 -5.582 1.00 1.00 H new ATOM 491 N THR A 35 -3.094 5.939 -6.324 1.00 1.00 N ATOM 492 CA THR A 35 -3.180 7.403 -6.252 1.00 1.00 C ATOM 493 C THR A 35 -2.758 7.875 -4.866 1.00 1.00 C ATOM 494 O THR A 35 -3.582 8.041 -3.968 1.00 1.00 O ATOM 495 CB THR A 35 -4.626 7.852 -6.533 1.00 1.00 C ATOM 496 OG1 THR A 35 -5.476 7.319 -5.530 1.00 1.00 O ATOM 497 CG2 THR A 35 -5.077 7.342 -7.912 1.00 1.00 C ATOM 0 H THR A 35 -3.987 5.459 -6.214 1.00 1.00 H new ATOM 0 HA THR A 35 -2.516 7.839 -6.998 1.00 1.00 H new ATOM 0 HB THR A 35 -4.677 8.941 -6.525 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.182 7.635 -4.650 1.00 1.00 H new ATOM 0 HG21 THR A 35 -6.101 7.664 -8.102 1.00 1.00 H new ATOM 0 HG22 THR A 35 -4.420 7.747 -8.682 1.00 1.00 H new ATOM 0 HG23 THR A 35 -5.030 6.253 -7.930 1.00 1.00 H new ATOM 505 N ILE A 36 -1.456 8.094 -4.704 1.00 1.00 N ATOM 506 CA ILE A 36 -0.911 8.555 -3.420 1.00 1.00 C ATOM 507 C ILE A 36 -1.618 9.852 -2.999 1.00 1.00 C ATOM 508 O ILE A 36 -2.364 10.460 -3.767 1.00 1.00 O ATOM 509 CB ILE A 36 0.632 8.781 -3.524 1.00 1.00 C ATOM 510 CG1 ILE A 36 1.335 7.466 -4.026 1.00 1.00 C ATOM 511 CG2 ILE A 36 1.230 9.214 -2.125 1.00 1.00 C ATOM 512 CD1 ILE A 36 2.792 7.764 -4.430 1.00 1.00 C ATOM 0 H ILE A 36 -0.759 7.962 -5.437 1.00 1.00 H new ATOM 0 HA ILE A 36 -1.088 7.790 -2.664 1.00 1.00 H new ATOM 0 HB ILE A 36 0.816 9.582 -4.240 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.315 6.711 -3.240 1.00 1.00 H new ATOM 0 HG13 ILE A 36 0.791 7.055 -4.876 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.305 9.366 -2.220 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.760 10.142 -1.800 1.00 1.00 H new ATOM 0 HG23 ILE A 36 1.038 8.433 -1.390 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.269 6.847 -4.776 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.804 8.503 -5.231 1.00 1.00 H new ATOM 0 HD13 ILE A 36 3.336 8.153 -3.569 1.00 1.00 H new ATOM 524 N VAL A 37 -1.375 10.255 -1.755 1.00 1.00 N ATOM 525 CA VAL A 37 -1.993 11.475 -1.189 1.00 1.00 C ATOM 526 C VAL A 37 -0.921 12.335 -0.508 1.00 1.00 C ATOM 527 O VAL A 37 -0.253 13.139 -1.157 1.00 1.00 O ATOM 528 CB VAL A 37 -3.131 11.052 -0.177 1.00 1.00 C ATOM 529 CG1 VAL A 37 -4.478 10.851 -0.916 1.00 1.00 C ATOM 530 CG2 VAL A 37 -2.740 9.721 0.541 1.00 1.00 C ATOM 0 H VAL A 37 -0.756 9.762 -1.111 1.00 1.00 H new ATOM 0 HA VAL A 37 -2.441 12.075 -1.981 1.00 1.00 H new ATOM 0 HB VAL A 37 -3.244 11.850 0.557 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -5.246 10.560 -0.200 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -4.769 11.782 -1.402 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.368 10.069 -1.667 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -3.530 9.437 1.236 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -2.609 8.933 -0.200 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -1.808 9.863 1.089 1.00 1.00 H new ATOM 540 N GLY A 38 -0.790 12.176 0.805 1.00 1.00 N ATOM 541 CA GLY A 38 0.183 12.932 1.598 1.00 1.00 C ATOM 542 C GLY A 38 1.424 12.095 1.863 1.00 1.00 C ATOM 543 O GLY A 38 1.624 11.018 1.303 1.00 1.00 O ATOM 0 H GLY A 38 -1.351 11.523 1.351 1.00 1.00 H new ATOM 0 HA2 GLY A 38 0.459 13.845 1.070 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -0.267 13.234 2.544 1.00 1.00 H new ATOM 547 N GLU A 39 2.269 12.620 2.745 1.00 1.00 N ATOM 548 CA GLU A 39 3.527 11.940 3.118 1.00 1.00 C ATOM 549 C GLU A 39 3.643 11.840 4.641 1.00 1.00 C ATOM 550 O GLU A 39 3.426 12.810 5.368 1.00 1.00 O ATOM 551 CB GLU A 39 4.734 12.721 2.547 1.00 1.00 C ATOM 552 CG GLU A 39 4.605 12.862 0.998 1.00 1.00 C ATOM 553 CD GLU A 39 3.546 13.912 0.630 1.00 1.00 C ATOM 554 OE1 GLU A 39 3.618 15.005 1.166 1.00 1.00 O ATOM 555 OE2 GLU A 39 2.684 13.606 -0.180 1.00 1.00 O ATOM 0 H GLU A 39 2.116 13.510 3.219 1.00 1.00 H new ATOM 0 HA GLU A 39 3.522 10.933 2.700 1.00 1.00 H new ATOM 0 HB2 GLU A 39 4.787 13.708 3.006 1.00 1.00 H new ATOM 0 HB3 GLU A 39 5.661 12.204 2.796 1.00 1.00 H new ATOM 0 HG2 GLU A 39 5.568 13.146 0.573 1.00 1.00 H new ATOM 0 HG3 GLU A 39 4.336 11.900 0.562 1.00 1.00 H new ATOM 562 N GLU A 40 3.992 10.647 5.111 1.00 1.00 N ATOM 563 CA GLU A 40 4.150 10.414 6.555 1.00 1.00 C ATOM 564 C GLU A 40 5.191 9.327 6.798 1.00 1.00 C ATOM 565 O GLU A 40 5.025 8.193 6.348 1.00 1.00 O ATOM 566 CB GLU A 40 2.786 10.005 7.169 1.00 1.00 C ATOM 567 CG GLU A 40 2.877 9.901 8.718 1.00 1.00 C ATOM 568 CD GLU A 40 3.195 11.267 9.335 1.00 1.00 C ATOM 569 OE1 GLU A 40 2.817 12.270 8.746 1.00 1.00 O ATOM 570 OE2 GLU A 40 3.809 11.293 10.388 1.00 1.00 O ATOM 0 H GLU A 40 4.171 9.830 4.526 1.00 1.00 H new ATOM 0 HA GLU A 40 4.491 11.332 7.033 1.00 1.00 H new ATOM 0 HB2 GLU A 40 2.026 10.737 6.895 1.00 1.00 H new ATOM 0 HB3 GLU A 40 2.470 9.047 6.755 1.00 1.00 H new ATOM 0 HG2 GLU A 40 1.935 9.526 9.118 1.00 1.00 H new ATOM 0 HG3 GLU A 40 3.649 9.183 8.994 1.00 1.00 H new ATOM 577 N GLY A 41 6.249 9.671 7.526 1.00 1.00 N ATOM 578 CA GLY A 41 7.309 8.708 7.827 1.00 1.00 C ATOM 579 C GLY A 41 7.747 7.936 6.565 1.00 1.00 C ATOM 580 O GLY A 41 8.149 8.525 5.561 1.00 1.00 O ATOM 0 H GLY A 41 6.397 10.601 7.917 1.00 1.00 H new ATOM 0 HA2 GLY A 41 8.167 9.230 8.251 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.959 8.004 8.582 1.00 1.00 H new ATOM 584 N ALA A 42 7.646 6.612 6.636 1.00 1.00 N ATOM 585 CA ALA A 42 8.001 5.724 5.505 1.00 1.00 C ATOM 586 C ALA A 42 6.750 5.008 4.979 1.00 1.00 C ATOM 587 O ALA A 42 6.871 3.961 4.342 1.00 1.00 O ATOM 588 CB ALA A 42 9.041 4.691 5.975 1.00 1.00 C ATOM 0 H ALA A 42 7.320 6.116 7.466 1.00 1.00 H new ATOM 0 HA ALA A 42 8.423 6.322 4.698 1.00 1.00 H new ATOM 0 HB1 ALA A 42 9.304 4.036 5.145 1.00 1.00 H new ATOM 0 HB2 ALA A 42 9.934 5.208 6.327 1.00 1.00 H new ATOM 0 HB3 ALA A 42 8.622 4.097 6.787 1.00 1.00 H new ATOM 594 N PHE A 43 5.572 5.569 5.233 1.00 1.00 N ATOM 595 CA PHE A 43 4.292 4.974 4.774 1.00 1.00 C ATOM 596 C PHE A 43 3.251 6.069 4.499 1.00 1.00 C ATOM 597 O PHE A 43 3.332 7.180 5.019 1.00 1.00 O ATOM 598 CB PHE A 43 3.744 4.004 5.844 1.00 1.00 C ATOM 599 CG PHE A 43 4.795 2.922 6.134 1.00 1.00 C ATOM 600 CD1 PHE A 43 5.771 3.131 7.126 1.00 1.00 C ATOM 601 CD2 PHE A 43 4.803 1.720 5.402 1.00 1.00 C ATOM 602 CE1 PHE A 43 6.744 2.152 7.376 1.00 1.00 C ATOM 603 CE2 PHE A 43 5.775 0.744 5.659 1.00 1.00 C ATOM 604 CZ PHE A 43 6.746 0.962 6.643 1.00 1.00 C ATOM 0 H PHE A 43 5.463 6.438 5.755 1.00 1.00 H new ATOM 0 HA PHE A 43 4.483 4.428 3.850 1.00 1.00 H new ATOM 0 HB2 PHE A 43 3.505 4.549 6.757 1.00 1.00 H new ATOM 0 HB3 PHE A 43 2.819 3.545 5.495 1.00 1.00 H new ATOM 0 HD1 PHE A 43 5.771 4.048 7.697 1.00 1.00 H new ATOM 0 HD2 PHE A 43 4.057 1.549 4.640 1.00 1.00 H new ATOM 0 HE1 PHE A 43 7.493 2.318 8.136 1.00 1.00 H new ATOM 0 HE2 PHE A 43 5.775 -0.178 5.097 1.00 1.00 H new ATOM 0 HZ PHE A 43 7.497 0.210 6.836 1.00 1.00 H new ATOM 614 N TYR A 44 2.271 5.727 3.668 1.00 1.00 N ATOM 615 CA TYR A 44 1.197 6.657 3.293 1.00 1.00 C ATOM 616 C TYR A 44 -0.134 5.916 3.230 1.00 1.00 C ATOM 617 O TYR A 44 -0.208 4.694 3.353 1.00 1.00 O ATOM 618 CB TYR A 44 1.534 7.309 1.936 1.00 1.00 C ATOM 619 CG TYR A 44 1.757 6.221 0.876 1.00 1.00 C ATOM 620 CD1 TYR A 44 2.921 5.431 0.919 1.00 1.00 C ATOM 621 CD2 TYR A 44 0.812 5.994 -0.145 1.00 1.00 C ATOM 622 CE1 TYR A 44 3.134 4.436 -0.043 1.00 1.00 C ATOM 623 CE2 TYR A 44 1.040 4.999 -1.102 1.00 1.00 C ATOM 624 CZ TYR A 44 2.193 4.228 -1.053 1.00 1.00 C ATOM 625 OH TYR A 44 2.395 3.257 -2.006 1.00 1.00 O ATOM 0 H TYR A 44 2.194 4.806 3.236 1.00 1.00 H new ATOM 0 HA TYR A 44 1.111 7.442 4.044 1.00 1.00 H new ATOM 0 HB2 TYR A 44 0.723 7.969 1.628 1.00 1.00 H new ATOM 0 HB3 TYR A 44 2.428 7.926 2.031 1.00 1.00 H new ATOM 0 HD1 TYR A 44 3.653 5.593 1.697 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -0.089 6.588 -0.189 1.00 1.00 H new ATOM 0 HE1 TYR A 44 4.027 3.829 -0.004 1.00 1.00 H new ATOM 0 HE2 TYR A 44 0.314 4.830 -1.884 1.00 1.00 H new ATOM 0 HH TYR A 44 1.640 3.250 -2.631 1.00 1.00 H new ATOM 635 N LYS A 45 -1.198 6.691 3.042 1.00 1.00 N ATOM 636 CA LYS A 45 -2.560 6.132 2.970 1.00 1.00 C ATOM 637 C LYS A 45 -2.971 5.955 1.522 1.00 1.00 C ATOM 638 O LYS A 45 -2.452 6.612 0.619 1.00 1.00 O ATOM 639 CB LYS A 45 -3.545 7.073 3.685 1.00 1.00 C ATOM 640 CG LYS A 45 -3.188 7.169 5.181 1.00 1.00 C ATOM 641 CD LYS A 45 -4.173 8.112 5.902 1.00 1.00 C ATOM 642 CE LYS A 45 -3.810 8.216 7.393 1.00 1.00 C ATOM 643 NZ LYS A 45 -4.771 9.130 8.057 1.00 1.00 N ATOM 0 H LYS A 45 -1.153 7.704 2.936 1.00 1.00 H new ATOM 0 HA LYS A 45 -2.574 5.159 3.462 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -3.511 8.063 3.230 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -4.564 6.704 3.568 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -3.222 6.179 5.635 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -2.169 7.538 5.297 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -4.144 9.100 5.443 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -5.191 7.739 5.793 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -3.843 7.231 7.859 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -2.793 8.590 7.508 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -4.535 9.208 9.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -4.718 10.070 7.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -5.735 8.754 7.955 1.00 1.00 H new ATOM 657 N ILE A 46 -3.919 5.049 1.303 1.00 1.00 N ATOM 658 CA ILE A 46 -4.424 4.760 -0.039 1.00 1.00 C ATOM 659 C ILE A 46 -5.907 4.378 0.033 1.00 1.00 C ATOM 660 O ILE A 46 -6.441 4.015 1.081 1.00 1.00 O ATOM 661 CB ILE A 46 -3.584 3.617 -0.690 1.00 1.00 C ATOM 662 CG1 ILE A 46 -3.563 2.385 0.262 1.00 1.00 C ATOM 663 CG2 ILE A 46 -2.125 4.096 -0.970 1.00 1.00 C ATOM 664 CD1 ILE A 46 -2.920 1.170 -0.417 1.00 1.00 C ATOM 0 H ILE A 46 -4.357 4.498 2.042 1.00 1.00 H new ATOM 0 HA ILE A 46 -4.329 5.650 -0.661 1.00 1.00 H new ATOM 0 HB ILE A 46 -4.042 3.340 -1.639 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -3.011 2.632 1.169 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -4.581 2.139 0.565 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -1.556 3.284 -1.424 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -2.146 4.948 -1.649 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -1.653 4.390 -0.033 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -2.920 0.326 0.272 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -3.488 0.909 -1.310 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.894 1.410 -0.697 1.00 1.00 H new ATOM 676 N GLU A 47 -6.561 4.466 -1.121 1.00 1.00 N ATOM 677 CA GLU A 47 -8.001 4.140 -1.234 1.00 1.00 C ATOM 678 C GLU A 47 -8.200 3.029 -2.251 1.00 1.00 C ATOM 679 O GLU A 47 -8.452 3.277 -3.431 1.00 1.00 O ATOM 680 CB GLU A 47 -8.783 5.402 -1.669 1.00 1.00 C ATOM 681 CG GLU A 47 -8.641 6.522 -0.595 1.00 1.00 C ATOM 682 CD GLU A 47 -7.217 7.093 -0.581 1.00 1.00 C ATOM 683 OE1 GLU A 47 -6.710 7.382 -1.653 1.00 1.00 O ATOM 684 OE2 GLU A 47 -6.657 7.228 0.495 1.00 1.00 O ATOM 0 H GLU A 47 -6.128 4.759 -1.997 1.00 1.00 H new ATOM 0 HA GLU A 47 -8.373 3.803 -0.266 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -8.407 5.758 -2.628 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -9.835 5.155 -1.811 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -9.355 7.320 -0.800 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -8.885 6.121 0.389 1.00 1.00 H new ATOM 691 N TYR A 48 -8.104 1.791 -1.775 1.00 1.00 N ATOM 692 CA TYR A 48 -8.274 0.606 -2.630 1.00 1.00 C ATOM 693 C TYR A 48 -9.092 -0.453 -1.898 1.00 1.00 C ATOM 694 O TYR A 48 -9.174 -0.465 -0.669 1.00 1.00 O ATOM 695 CB TYR A 48 -6.855 0.047 -3.052 1.00 1.00 C ATOM 696 CG TYR A 48 -6.794 -0.103 -4.587 1.00 1.00 C ATOM 697 CD1 TYR A 48 -7.424 -1.195 -5.214 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.144 0.865 -5.380 1.00 1.00 C ATOM 699 CE1 TYR A 48 -7.404 -1.314 -6.609 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.135 0.740 -6.774 1.00 1.00 C ATOM 701 CZ TYR A 48 -6.756 -0.353 -7.386 1.00 1.00 C ATOM 702 OH TYR A 48 -6.742 -0.473 -8.756 1.00 1.00 O ATOM 0 H TYR A 48 -7.909 1.575 -0.797 1.00 1.00 H new ATOM 0 HA TYR A 48 -8.816 0.882 -3.535 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -6.071 0.723 -2.711 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -6.676 -0.916 -2.575 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -7.924 -1.943 -4.617 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -5.652 1.704 -4.911 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -7.892 -2.152 -7.085 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -5.647 1.490 -7.379 1.00 1.00 H new ATOM 0 HH TYR A 48 -6.250 0.280 -9.145 1.00 1.00 H new ATOM 712 N LYS A 49 -9.683 -1.359 -2.671 1.00 1.00 N ATOM 713 CA LYS A 49 -10.496 -2.438 -2.120 1.00 1.00 C ATOM 714 C LYS A 49 -11.582 -1.880 -1.180 1.00 1.00 C ATOM 715 O LYS A 49 -12.134 -2.603 -0.351 1.00 1.00 O ATOM 716 CB LYS A 49 -9.586 -3.427 -1.363 1.00 1.00 C ATOM 717 CG LYS A 49 -8.489 -3.994 -2.308 1.00 1.00 C ATOM 718 CD LYS A 49 -7.684 -5.126 -1.610 1.00 1.00 C ATOM 719 CE LYS A 49 -6.928 -4.604 -0.360 1.00 1.00 C ATOM 720 NZ LYS A 49 -5.911 -5.612 0.044 1.00 1.00 N ATOM 0 H LYS A 49 -9.613 -1.367 -3.689 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.996 -2.958 -2.937 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -9.120 -2.925 -0.516 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -10.184 -4.244 -0.960 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.951 -4.379 -3.217 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -7.813 -3.193 -2.608 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -8.362 -5.928 -1.317 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.971 -5.553 -2.315 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -6.447 -3.651 -0.581 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -7.628 -4.426 0.457 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -5.398 -5.271 0.882 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -6.383 -6.511 0.269 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -5.240 -5.760 -0.736 1.00 1.00 H new ATOM 734 N GLY A 50 -11.859 -0.587 -1.312 1.00 1.00 N ATOM 735 CA GLY A 50 -12.859 0.081 -0.470 1.00 1.00 C ATOM 736 C GLY A 50 -12.374 0.153 0.981 1.00 1.00 C ATOM 737 O GLY A 50 -13.056 0.701 1.847 1.00 1.00 O ATOM 0 H GLY A 50 -11.408 0.024 -1.993 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -13.048 1.086 -0.847 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.804 -0.460 -0.518 1.00 1.00 H new ATOM 741 N SER A 51 -11.194 -0.406 1.232 1.00 1.00 N ATOM 742 CA SER A 51 -10.569 -0.434 2.578 1.00 1.00 C ATOM 743 C SER A 51 -9.269 0.364 2.575 1.00 1.00 C ATOM 744 O SER A 51 -8.781 0.811 1.538 1.00 1.00 O ATOM 745 CB SER A 51 -10.272 -1.884 3.010 1.00 1.00 C ATOM 746 OG SER A 51 -9.271 -2.435 2.168 1.00 1.00 O ATOM 0 H SER A 51 -10.630 -0.859 0.512 1.00 1.00 H new ATOM 0 HA SER A 51 -11.269 0.013 3.284 1.00 1.00 H new ATOM 0 HB2 SER A 51 -9.940 -1.904 4.048 1.00 1.00 H new ATOM 0 HB3 SER A 51 -11.180 -2.484 2.954 1.00 1.00 H new ATOM 0 HG SER A 51 -9.082 -3.356 2.444 1.00 1.00 H new ATOM 752 N HIS A 52 -8.716 0.542 3.771 1.00 1.00 N ATOM 753 CA HIS A 52 -7.457 1.295 3.948 1.00 1.00 C ATOM 754 C HIS A 52 -6.288 0.327 4.137 1.00 1.00 C ATOM 755 O HIS A 52 -6.425 -0.745 4.725 1.00 1.00 O ATOM 756 CB HIS A 52 -7.568 2.225 5.176 1.00 1.00 C ATOM 757 CG HIS A 52 -8.722 3.171 4.985 1.00 1.00 C ATOM 758 ND1 HIS A 52 -8.722 4.155 4.009 1.00 1.00 N ATOM 759 CD2 HIS A 52 -9.923 3.288 5.636 1.00 1.00 C ATOM 760 CE1 HIS A 52 -9.890 4.817 4.103 1.00 1.00 C ATOM 761 NE2 HIS A 52 -10.660 4.328 5.079 1.00 1.00 N ATOM 0 H HIS A 52 -9.112 0.179 4.638 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.279 1.897 3.057 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -7.713 1.635 6.081 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.642 2.785 5.306 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -10.248 2.666 6.457 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -10.171 5.643 3.467 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -11.588 4.648 5.356 1.00 1.00 H new ATOM 770 N GLY A 53 -5.129 0.730 3.627 1.00 1.00 N ATOM 771 CA GLY A 53 -3.916 -0.087 3.727 1.00 1.00 C ATOM 772 C GLY A 53 -2.666 0.796 3.700 1.00 1.00 C ATOM 773 O GLY A 53 -2.726 1.985 3.387 1.00 1.00 O ATOM 0 H GLY A 53 -5.000 1.617 3.140 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.937 -0.668 4.649 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -3.882 -0.799 2.903 1.00 1.00 H new ATOM 777 N TYR A 54 -1.528 0.191 4.025 1.00 1.00 N ATOM 778 CA TYR A 54 -0.231 0.917 4.035 1.00 1.00 C ATOM 779 C TYR A 54 0.852 0.091 3.348 1.00 1.00 C ATOM 780 O TYR A 54 0.816 -1.139 3.362 1.00 1.00 O ATOM 781 CB TYR A 54 0.177 1.214 5.487 1.00 1.00 C ATOM 782 CG TYR A 54 -0.847 2.162 6.123 1.00 1.00 C ATOM 783 CD1 TYR A 54 -2.079 1.656 6.581 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.575 3.541 6.246 1.00 1.00 C ATOM 785 CE1 TYR A 54 -3.018 2.515 7.159 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.521 4.390 6.827 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.740 3.878 7.283 1.00 1.00 C ATOM 788 OH TYR A 54 -3.671 4.718 7.851 1.00 1.00 O ATOM 0 H TYR A 54 -1.461 -0.793 4.286 1.00 1.00 H new ATOM 0 HA TYR A 54 -0.346 1.854 3.489 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.233 0.287 6.057 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.169 1.664 5.512 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -2.298 0.603 6.485 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.364 3.940 5.891 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.961 2.124 7.511 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -1.310 5.445 6.924 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.242 5.261 8.544 1.00 1.00 H new ATOM 798 N VAL A 55 1.818 0.781 2.748 1.00 1.00 N ATOM 799 CA VAL A 55 2.919 0.099 2.046 1.00 1.00 C ATOM 800 C VAL A 55 4.145 0.994 1.991 1.00 1.00 C ATOM 801 O VAL A 55 4.039 2.218 2.063 1.00 1.00 O ATOM 802 CB VAL A 55 2.470 -0.287 0.611 1.00 1.00 C ATOM 803 CG1 VAL A 55 2.009 0.974 -0.158 1.00 1.00 C ATOM 804 CG2 VAL A 55 3.632 -0.991 -0.160 1.00 1.00 C ATOM 0 H VAL A 55 1.868 1.800 2.729 1.00 1.00 H new ATOM 0 HA VAL A 55 3.178 -0.808 2.592 1.00 1.00 H new ATOM 0 HB VAL A 55 1.635 -0.983 0.686 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.696 0.693 -1.164 1.00 1.00 H new ATOM 0 HG12 VAL A 55 1.172 1.435 0.367 1.00 1.00 H new ATOM 0 HG13 VAL A 55 2.834 1.684 -0.220 1.00 1.00 H new ATOM 0 HG21 VAL A 55 3.296 -1.253 -1.163 1.00 1.00 H new ATOM 0 HG22 VAL A 55 4.485 -0.316 -0.228 1.00 1.00 H new ATOM 0 HG23 VAL A 55 3.926 -1.896 0.372 1.00 1.00 H new ATOM 814 N ALA A 56 5.314 0.376 1.855 1.00 1.00 N ATOM 815 CA ALA A 56 6.561 1.122 1.769 1.00 1.00 C ATOM 816 C ALA A 56 6.562 1.998 0.496 1.00 1.00 C ATOM 817 O ALA A 56 6.282 1.543 -0.613 1.00 1.00 O ATOM 818 CB ALA A 56 7.745 0.140 1.746 1.00 1.00 C ATOM 0 H ALA A 56 5.422 -0.637 1.802 1.00 1.00 H new ATOM 0 HA ALA A 56 6.657 1.773 2.638 1.00 1.00 H new ATOM 0 HB1 ALA A 56 8.679 0.698 1.682 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.741 -0.457 2.658 1.00 1.00 H new ATOM 0 HB3 ALA A 56 7.655 -0.518 0.882 1.00 1.00 H new ATOM 824 N LYS A 57 6.894 3.269 0.693 1.00 1.00 N ATOM 825 CA LYS A 57 6.943 4.243 -0.424 1.00 1.00 C ATOM 826 C LYS A 57 8.326 4.236 -1.068 1.00 1.00 C ATOM 827 O LYS A 57 8.451 4.401 -2.282 1.00 1.00 O ATOM 828 CB LYS A 57 6.603 5.670 0.103 1.00 1.00 C ATOM 829 CG LYS A 57 7.221 5.891 1.520 1.00 1.00 C ATOM 830 CD LYS A 57 7.142 7.405 1.957 1.00 1.00 C ATOM 831 CE LYS A 57 8.483 8.122 1.672 1.00 1.00 C ATOM 832 NZ LYS A 57 8.890 7.853 0.264 1.00 1.00 N ATOM 0 H LYS A 57 7.134 3.660 1.604 1.00 1.00 H new ATOM 0 HA LYS A 57 6.207 3.958 -1.176 1.00 1.00 H new ATOM 0 HB2 LYS A 57 6.986 6.420 -0.588 1.00 1.00 H new ATOM 0 HB3 LYS A 57 5.522 5.800 0.147 1.00 1.00 H new ATOM 0 HG2 LYS A 57 6.695 5.273 2.248 1.00 1.00 H new ATOM 0 HG3 LYS A 57 8.261 5.566 1.519 1.00 1.00 H new ATOM 0 HD2 LYS A 57 6.335 7.903 1.419 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.906 7.471 3.019 1.00 1.00 H new ATOM 0 HE2 LYS A 57 8.378 9.195 1.835 1.00 1.00 H new ATOM 0 HE3 LYS A 57 9.252 7.769 2.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 9.683 8.475 0.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 9.184 6.860 0.171 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 8.087 8.037 -0.371 1.00 1.00 H new ATOM 846 N GLU A 58 9.358 4.038 -0.254 1.00 1.00 N ATOM 847 CA GLU A 58 10.738 4.015 -0.741 1.00 1.00 C ATOM 848 C GLU A 58 10.909 2.932 -1.800 1.00 1.00 C ATOM 849 O GLU A 58 11.727 3.045 -2.714 1.00 1.00 O ATOM 850 CB GLU A 58 11.698 3.767 0.451 1.00 1.00 C ATOM 851 CG GLU A 58 11.293 2.486 1.222 1.00 1.00 C ATOM 852 CD GLU A 58 12.244 2.249 2.400 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.429 2.496 2.237 1.00 1.00 O ATOM 854 OE2 GLU A 58 11.773 1.825 3.442 1.00 1.00 O ATOM 0 H GLU A 58 9.267 3.890 0.751 1.00 1.00 H new ATOM 0 HA GLU A 58 10.976 4.976 -1.198 1.00 1.00 H new ATOM 0 HB2 GLU A 58 12.721 3.670 0.087 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.679 4.624 1.124 1.00 1.00 H new ATOM 0 HG2 GLU A 58 10.270 2.581 1.586 1.00 1.00 H new ATOM 0 HG3 GLU A 58 11.314 1.628 0.551 1.00 1.00 H new ATOM 861 N TYR A 59 10.120 1.871 -1.662 1.00 1.00 N ATOM 862 CA TYR A 59 10.166 0.742 -2.596 1.00 1.00 C ATOM 863 C TYR A 59 10.021 1.228 -4.047 1.00 1.00 C ATOM 864 O TYR A 59 10.383 0.535 -4.999 1.00 1.00 O ATOM 865 CB TYR A 59 9.026 -0.276 -2.237 1.00 1.00 C ATOM 866 CG TYR A 59 9.545 -1.712 -2.386 1.00 1.00 C ATOM 867 CD1 TYR A 59 10.218 -2.322 -1.311 1.00 1.00 C ATOM 868 CD2 TYR A 59 9.396 -2.407 -3.599 1.00 1.00 C ATOM 869 CE1 TYR A 59 10.732 -3.609 -1.447 1.00 1.00 C ATOM 870 CE2 TYR A 59 9.911 -3.703 -3.728 1.00 1.00 C ATOM 871 CZ TYR A 59 10.580 -4.302 -2.652 1.00 1.00 C ATOM 872 OH TYR A 59 11.092 -5.574 -2.781 1.00 1.00 O ATOM 0 H TYR A 59 9.438 1.766 -0.911 1.00 1.00 H new ATOM 0 HA TYR A 59 11.132 0.245 -2.507 1.00 1.00 H new ATOM 0 HB2 TYR A 59 8.684 -0.107 -1.216 1.00 1.00 H new ATOM 0 HB3 TYR A 59 8.168 -0.120 -2.891 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.336 -1.791 -0.378 1.00 1.00 H new ATOM 0 HD2 TYR A 59 8.885 -1.942 -4.430 1.00 1.00 H new ATOM 0 HE1 TYR A 59 11.249 -4.073 -0.620 1.00 1.00 H new ATOM 0 HE2 TYR A 59 9.793 -4.241 -4.657 1.00 1.00 H new ATOM 0 HH TYR A 59 10.900 -5.914 -3.680 1.00 1.00 H new ATOM 882 N ILE A 60 9.485 2.435 -4.192 1.00 1.00 N ATOM 883 CA ILE A 60 9.281 3.029 -5.517 1.00 1.00 C ATOM 884 C ILE A 60 10.612 3.610 -6.007 1.00 1.00 C ATOM 885 O ILE A 60 11.362 4.102 -5.179 1.00 1.00 O ATOM 886 CB ILE A 60 8.190 4.143 -5.430 1.00 1.00 C ATOM 887 CG1 ILE A 60 6.869 3.547 -4.829 1.00 1.00 C ATOM 888 CG2 ILE A 60 7.915 4.722 -6.847 1.00 1.00 C ATOM 889 CD1 ILE A 60 5.838 4.660 -4.553 1.00 1.00 C ATOM 890 OXT ILE A 60 10.863 3.547 -7.200 1.00 1.00 O ATOM 0 H ILE A 60 9.184 3.023 -3.415 1.00 1.00 H new ATOM 0 HA ILE A 60 8.940 2.271 -6.222 1.00 1.00 H new ATOM 0 HB ILE A 60 8.546 4.944 -4.782 1.00 1.00 H new ATOM 0 HG12 ILE A 60 6.447 2.818 -5.521 1.00 1.00 H new ATOM 0 HG13 ILE A 60 7.093 3.016 -3.904 1.00 1.00 H new ATOM 0 HG21 ILE A 60 7.153 5.499 -6.781 1.00 1.00 H new ATOM 0 HG22 ILE A 60 8.834 5.148 -7.251 1.00 1.00 H new ATOM 0 HG23 ILE A 60 7.565 3.926 -7.504 1.00 1.00 H new ATOM 0 HD11 ILE A 60 4.931 4.221 -4.137 1.00 1.00 H new ATOM 0 HD12 ILE A 60 6.255 5.374 -3.842 1.00 1.00 H new ATOM 0 HD13 ILE A 60 5.598 5.173 -5.484 1.00 1.00 H new TER 902 ILE A 60