USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 13 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 53:sc= 0.0413 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.03) USER MOD Single : A 35 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.032) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -8:sc= -0.1! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.12) USER MOD Single : A 63 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.014) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-2.2!) USER MOD Single : A 66 GLN : amide:sc= -0.0086 X(o=-0.0086,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.256 28.116 8.561 1.00 0.00 N ATOM 2 CA MET A 1 -15.302 29.116 8.434 1.00 0.00 C ATOM 3 C MET A 1 -16.456 28.597 7.574 1.00 0.00 C ATOM 4 O MET A 1 -16.275 28.319 6.389 1.00 0.00 O ATOM 5 CB MET A 1 -14.724 30.384 7.801 1.00 0.00 C ATOM 6 CG MET A 1 -15.607 31.597 8.098 1.00 0.00 C ATOM 7 SD MET A 1 -14.884 33.066 7.388 1.00 0.00 S ATOM 8 CE MET A 1 -15.493 32.934 5.715 1.00 0.00 C ATOM 0 H1 MET A 1 -13.485 28.493 9.149 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.645 27.261 9.007 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.888 27.877 7.618 1.00 0.00 H new ATOM 0 HA MET A 1 -15.687 29.339 9.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.718 30.560 8.183 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.636 30.249 6.723 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.605 31.439 7.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.719 31.721 9.175 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.133 33.779 5.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.136 32.005 5.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.583 32.937 5.723 1.00 0.00 H new ATOM 18 N GLU A 2 -17.616 28.481 8.203 1.00 0.00 N ATOM 19 CA GLU A 2 -18.799 28.000 7.510 1.00 0.00 C ATOM 20 C GLU A 2 -19.148 28.931 6.347 1.00 0.00 C ATOM 21 O GLU A 2 -19.147 30.151 6.502 1.00 0.00 O ATOM 22 CB GLU A 2 -19.979 27.858 8.473 1.00 0.00 C ATOM 23 CG GLU A 2 -20.753 26.566 8.205 1.00 0.00 C ATOM 24 CD GLU A 2 -21.336 25.998 9.501 1.00 0.00 C ATOM 25 OE1 GLU A 2 -20.650 25.978 10.533 1.00 0.00 O ATOM 26 OE2 GLU A 2 -22.549 25.568 9.410 1.00 0.00 O ATOM 0 H GLU A 2 -17.762 28.712 9.186 1.00 0.00 H new ATOM 0 HA GLU A 2 -18.583 27.011 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.617 27.862 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -20.645 28.714 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.557 26.760 7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.092 25.830 7.746 1.00 0.00 H new ATOM 34 N VAL A 3 -19.439 28.320 5.208 1.00 0.00 N ATOM 35 CA VAL A 3 -19.790 29.079 4.020 1.00 0.00 C ATOM 36 C VAL A 3 -21.312 29.104 3.867 1.00 0.00 C ATOM 37 O VAL A 3 -21.996 28.168 4.277 1.00 0.00 O ATOM 38 CB VAL A 3 -19.076 28.497 2.798 1.00 0.00 C ATOM 39 CG1 VAL A 3 -19.018 29.518 1.659 1.00 0.00 C ATOM 40 CG2 VAL A 3 -17.675 28.004 3.164 1.00 0.00 C ATOM 0 H VAL A 3 -19.439 27.308 5.083 1.00 0.00 H new ATOM 0 HA VAL A 3 -19.456 30.112 4.114 1.00 0.00 H new ATOM 0 HB VAL A 3 -19.652 27.639 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -18.506 29.079 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -20.031 29.799 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.476 30.403 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.190 27.595 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -17.086 28.836 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.750 27.229 3.927 1.00 0.00 H new ATOM 50 N ALA A 4 -21.797 30.186 3.275 1.00 0.00 N ATOM 51 CA ALA A 4 -23.226 30.345 3.063 1.00 0.00 C ATOM 52 C ALA A 4 -23.808 29.034 2.532 1.00 0.00 C ATOM 53 O ALA A 4 -23.095 28.233 1.929 1.00 0.00 O ATOM 54 CB ALA A 4 -23.473 31.520 2.114 1.00 0.00 C ATOM 0 H ALA A 4 -21.226 30.960 2.936 1.00 0.00 H new ATOM 0 HA ALA A 4 -23.731 30.572 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.545 31.640 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -23.067 32.432 2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.984 31.326 1.160 1.00 0.00 H new ATOM 60 N MET A 5 -25.098 28.854 2.775 1.00 0.00 N ATOM 61 CA MET A 5 -25.784 27.654 2.329 1.00 0.00 C ATOM 62 C MET A 5 -26.824 27.983 1.257 1.00 0.00 C ATOM 63 O MET A 5 -27.433 29.052 1.285 1.00 0.00 O ATOM 64 CB MET A 5 -26.473 26.986 3.521 1.00 0.00 C ATOM 65 CG MET A 5 -26.576 25.473 3.317 1.00 0.00 C ATOM 66 SD MET A 5 -26.546 24.641 4.896 1.00 0.00 S ATOM 67 CE MET A 5 -27.580 23.235 4.525 1.00 0.00 C ATOM 0 H MET A 5 -25.686 29.520 3.276 1.00 0.00 H new ATOM 0 HA MET A 5 -25.047 26.977 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 5 -25.915 27.196 4.433 1.00 0.00 H new ATOM 0 HB3 MET A 5 -27.470 27.408 3.653 1.00 0.00 H new ATOM 0 HG2 MET A 5 -27.497 25.231 2.787 1.00 0.00 H new ATOM 0 HG3 MET A 5 -25.750 25.124 2.697 1.00 0.00 H new ATOM 0 HE1 MET A 5 -27.668 22.605 5.410 1.00 0.00 H new ATOM 0 HE2 MET A 5 -28.569 23.580 4.225 1.00 0.00 H new ATOM 0 HE3 MET A 5 -27.135 22.660 3.713 1.00 0.00 H new ATOM 77 N VAL A 6 -26.997 27.045 0.337 1.00 0.00 N ATOM 78 CA VAL A 6 -27.953 27.223 -0.743 1.00 0.00 C ATOM 79 C VAL A 6 -29.362 26.926 -0.224 1.00 0.00 C ATOM 80 O VAL A 6 -29.570 26.804 0.982 1.00 0.00 O ATOM 81 CB VAL A 6 -27.560 26.352 -1.938 1.00 0.00 C ATOM 82 CG1 VAL A 6 -28.079 24.923 -1.769 1.00 0.00 C ATOM 83 CG2 VAL A 6 -28.058 26.965 -3.249 1.00 0.00 C ATOM 0 H VAL A 6 -26.491 26.159 0.317 1.00 0.00 H new ATOM 0 HA VAL A 6 -27.946 28.255 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 6 -26.472 26.310 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -27.786 24.325 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -27.655 24.487 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -29.166 24.938 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -27.766 26.327 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -29.144 27.051 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -27.619 27.954 -3.378 1.00 0.00 H new ATOM 93 N SER A 7 -30.292 26.819 -1.161 1.00 0.00 N ATOM 94 CA SER A 7 -31.675 26.538 -0.814 1.00 0.00 C ATOM 95 C SER A 7 -32.273 27.722 -0.052 1.00 0.00 C ATOM 96 O SER A 7 -31.958 27.935 1.118 1.00 0.00 O ATOM 97 CB SER A 7 -31.785 25.260 0.019 1.00 0.00 C ATOM 98 OG SER A 7 -32.169 24.138 -0.772 1.00 0.00 O ATOM 0 H SER A 7 -30.115 26.922 -2.160 1.00 0.00 H new ATOM 0 HA SER A 7 -32.236 26.387 -1.736 1.00 0.00 H new ATOM 0 HB2 SER A 7 -30.827 25.056 0.497 1.00 0.00 H new ATOM 0 HB3 SER A 7 -32.514 25.408 0.816 1.00 0.00 H new ATOM 0 HG SER A 7 -32.226 23.342 -0.204 1.00 0.00 H new ATOM 104 N ALA A 8 -33.125 28.462 -0.746 1.00 0.00 N ATOM 105 CA ALA A 8 -33.770 29.619 -0.148 1.00 0.00 C ATOM 106 C ALA A 8 -34.896 29.150 0.775 1.00 0.00 C ATOM 107 O ALA A 8 -36.028 28.959 0.333 1.00 0.00 O ATOM 108 CB ALA A 8 -34.273 30.551 -1.253 1.00 0.00 C ATOM 0 H ALA A 8 -33.384 28.283 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 8 -33.061 30.183 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -34.757 31.419 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -33.432 30.879 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -34.989 30.019 -1.879 1.00 0.00 H new ATOM 114 N GLU A 9 -34.547 28.977 2.041 1.00 0.00 N ATOM 115 CA GLU A 9 -35.514 28.533 3.031 1.00 0.00 C ATOM 116 C GLU A 9 -36.134 27.201 2.607 1.00 0.00 C ATOM 117 O GLU A 9 -36.097 26.841 1.431 1.00 0.00 O ATOM 118 CB GLU A 9 -36.593 29.594 3.256 1.00 0.00 C ATOM 119 CG GLU A 9 -37.822 28.989 3.938 1.00 0.00 C ATOM 120 CD GLU A 9 -38.895 30.053 4.178 1.00 0.00 C ATOM 121 OE1 GLU A 9 -39.301 30.748 3.235 1.00 0.00 O ATOM 122 OE2 GLU A 9 -39.310 30.144 5.396 1.00 0.00 O ATOM 0 H GLU A 9 -33.607 29.136 2.405 1.00 0.00 H new ATOM 0 HA GLU A 9 -34.994 28.384 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -36.192 30.401 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -36.882 30.033 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -38.229 28.190 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -37.531 28.540 4.888 1.00 0.00 H new ATOM 130 N SER A 10 -36.691 26.505 3.587 1.00 0.00 N ATOM 131 CA SER A 10 -37.319 25.220 3.330 1.00 0.00 C ATOM 132 C SER A 10 -38.163 24.799 4.535 1.00 0.00 C ATOM 133 O SER A 10 -37.788 25.055 5.679 1.00 0.00 O ATOM 134 CB SER A 10 -36.273 24.149 3.014 1.00 0.00 C ATOM 135 OG SER A 10 -36.867 22.951 2.523 1.00 0.00 O ATOM 0 H SER A 10 -36.721 26.807 4.561 1.00 0.00 H new ATOM 0 HA SER A 10 -37.967 25.324 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 10 -35.571 24.535 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 10 -35.699 23.927 3.913 1.00 0.00 H new ATOM 0 HG SER A 10 -36.166 22.293 2.332 1.00 0.00 H new ATOM 141 N SER A 11 -39.285 24.162 4.238 1.00 0.00 N ATOM 142 CA SER A 11 -40.185 23.704 5.282 1.00 0.00 C ATOM 143 C SER A 11 -41.402 23.017 4.660 1.00 0.00 C ATOM 144 O SER A 11 -42.195 23.656 3.971 1.00 0.00 O ATOM 145 CB SER A 11 -40.629 24.864 6.175 1.00 0.00 C ATOM 146 OG SER A 11 -40.880 24.443 7.513 1.00 0.00 O ATOM 0 H SER A 11 -39.592 23.952 3.288 1.00 0.00 H new ATOM 0 HA SER A 11 -39.650 22.987 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 11 -39.859 25.636 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 11 -41.531 25.315 5.762 1.00 0.00 H new ATOM 0 HG SER A 11 -41.159 25.213 8.051 1.00 0.00 H new ATOM 152 N GLY A 12 -41.512 21.723 4.927 1.00 0.00 N ATOM 153 CA GLY A 12 -42.619 20.942 4.402 1.00 0.00 C ATOM 154 C GLY A 12 -42.670 19.558 5.050 1.00 0.00 C ATOM 155 O GLY A 12 -43.670 19.192 5.666 1.00 0.00 O ATOM 0 H GLY A 12 -40.853 21.197 5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -43.557 21.467 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -42.515 20.838 3.322 1.00 0.00 H new ATOM 159 N CYS A 13 -41.578 18.824 4.890 1.00 0.00 N ATOM 160 CA CYS A 13 -41.485 17.488 5.452 1.00 0.00 C ATOM 161 C CYS A 13 -42.387 16.560 4.636 1.00 0.00 C ATOM 162 O CYS A 13 -43.376 16.039 5.151 1.00 0.00 O ATOM 163 CB CYS A 13 -41.847 17.473 6.939 1.00 0.00 C ATOM 164 SG CYS A 13 -40.941 16.129 7.790 1.00 0.00 S ATOM 0 H CYS A 13 -40.750 19.130 4.379 1.00 0.00 H new ATOM 0 HA CYS A 13 -40.455 17.137 5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -41.599 18.433 7.392 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -42.921 17.331 7.059 1.00 0.00 H new ATOM 0 HG CYS A 13 -41.254 16.126 9.052 1.00 0.00 H new ATOM 170 N ASN A 14 -42.014 16.381 3.378 1.00 0.00 N ATOM 171 CA ASN A 14 -42.776 15.524 2.486 1.00 0.00 C ATOM 172 C ASN A 14 -42.120 14.144 2.425 1.00 0.00 C ATOM 173 O ASN A 14 -42.288 13.414 1.450 1.00 0.00 O ATOM 174 CB ASN A 14 -42.807 16.096 1.067 1.00 0.00 C ATOM 175 CG ASN A 14 -44.208 16.595 0.707 1.00 0.00 C ATOM 176 OD1 ASN A 14 -44.945 15.971 -0.039 1.00 0.00 O ATOM 177 ND2 ASN A 14 -44.532 17.753 1.276 1.00 0.00 N ATOM 0 H ASN A 14 -41.194 16.815 2.955 1.00 0.00 H new ATOM 0 HA ASN A 14 -43.794 15.457 2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -42.093 16.916 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -42.496 15.331 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -45.445 18.171 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -43.867 18.223 1.891 1.00 0.00 H new ATOM 184 N SER A 15 -41.384 13.827 3.481 1.00 0.00 N ATOM 185 CA SER A 15 -40.702 12.547 3.561 1.00 0.00 C ATOM 186 C SER A 15 -41.206 11.759 4.771 1.00 0.00 C ATOM 187 O SER A 15 -40.483 11.589 5.752 1.00 0.00 O ATOM 188 CB SER A 15 -39.185 12.736 3.645 1.00 0.00 C ATOM 189 OG SER A 15 -38.822 13.713 4.616 1.00 0.00 O ATOM 0 H SER A 15 -41.245 14.435 4.288 1.00 0.00 H new ATOM 0 HA SER A 15 -40.922 11.985 2.653 1.00 0.00 H new ATOM 0 HB2 SER A 15 -38.714 11.785 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 15 -38.802 13.035 2.669 1.00 0.00 H new ATOM 0 HG SER A 15 -39.237 13.490 5.475 1.00 0.00 H new ATOM 195 N HIS A 16 -42.444 11.298 4.663 1.00 0.00 N ATOM 196 CA HIS A 16 -43.053 10.533 5.737 1.00 0.00 C ATOM 197 C HIS A 16 -43.518 9.177 5.201 1.00 0.00 C ATOM 198 O HIS A 16 -44.709 8.872 5.222 1.00 0.00 O ATOM 199 CB HIS A 16 -44.182 11.327 6.398 1.00 0.00 C ATOM 200 CG HIS A 16 -43.828 11.879 7.759 1.00 0.00 C ATOM 201 ND1 HIS A 16 -43.520 13.211 7.970 1.00 0.00 N ATOM 202 CD2 HIS A 16 -43.740 11.265 8.974 1.00 0.00 C ATOM 203 CE1 HIS A 16 -43.258 13.380 9.258 1.00 0.00 C ATOM 204 NE2 HIS A 16 -43.394 12.173 9.878 1.00 0.00 N ATOM 0 H HIS A 16 -43.041 11.440 3.848 1.00 0.00 H new ATOM 0 HA HIS A 16 -42.315 10.344 6.517 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -44.463 12.152 5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -45.057 10.684 6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -43.921 10.218 9.167 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -42.985 14.310 9.733 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -43.253 11.997 10.873 1.00 0.00 H new ATOM 212 N MET A 17 -42.552 8.399 4.733 1.00 0.00 N ATOM 213 CA MET A 17 -42.847 7.083 4.192 1.00 0.00 C ATOM 214 C MET A 17 -43.704 6.270 5.165 1.00 0.00 C ATOM 215 O MET A 17 -43.713 6.540 6.365 1.00 0.00 O ATOM 216 CB MET A 17 -41.539 6.339 3.919 1.00 0.00 C ATOM 217 CG MET A 17 -41.274 6.229 2.416 1.00 0.00 C ATOM 218 SD MET A 17 -39.554 5.853 2.124 1.00 0.00 S ATOM 219 CE MET A 17 -39.498 6.015 0.348 1.00 0.00 C ATOM 0 H MET A 17 -41.565 8.655 4.717 1.00 0.00 H new ATOM 0 HA MET A 17 -43.405 7.208 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 17 -40.712 6.861 4.400 1.00 0.00 H new ATOM 0 HB3 MET A 17 -41.585 5.342 4.358 1.00 0.00 H new ATOM 0 HG2 MET A 17 -41.903 5.451 1.984 1.00 0.00 H new ATOM 0 HG3 MET A 17 -41.539 7.164 1.922 1.00 0.00 H new ATOM 0 HE1 MET A 17 -38.487 5.812 -0.004 1.00 0.00 H new ATOM 0 HE2 MET A 17 -40.189 5.304 -0.104 1.00 0.00 H new ATOM 0 HE3 MET A 17 -39.784 7.028 0.066 1.00 0.00 H new ATOM 229 N PRO A 18 -44.422 5.265 4.596 1.00 0.00 N ATOM 230 CA PRO A 18 -45.280 4.411 5.399 1.00 0.00 C ATOM 231 C PRO A 18 -44.454 3.409 6.209 1.00 0.00 C ATOM 232 O PRO A 18 -43.225 3.426 6.154 1.00 0.00 O ATOM 233 CB PRO A 18 -46.214 3.743 4.403 1.00 0.00 C ATOM 234 CG PRO A 18 -45.547 3.887 3.045 1.00 0.00 C ATOM 235 CD PRO A 18 -44.436 4.916 3.178 1.00 0.00 C ATOM 0 HA PRO A 18 -45.847 4.968 6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -46.366 2.693 4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -47.195 4.218 4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -45.143 2.930 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -46.272 4.203 2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -43.477 4.506 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -44.630 5.790 2.557 1.00 0.00 H new ATOM 243 N TYR A 19 -45.161 2.562 6.941 1.00 0.00 N ATOM 244 CA TYR A 19 -44.509 1.555 7.760 1.00 0.00 C ATOM 245 C TYR A 19 -43.289 0.971 7.044 1.00 0.00 C ATOM 246 O TYR A 19 -43.431 0.214 6.086 1.00 0.00 O ATOM 247 CB TYR A 19 -45.542 0.446 7.969 1.00 0.00 C ATOM 248 CG TYR A 19 -45.257 -0.452 9.175 1.00 0.00 C ATOM 249 CD1 TYR A 19 -44.184 -1.319 9.150 1.00 0.00 C ATOM 250 CD2 TYR A 19 -46.072 -0.394 10.286 1.00 0.00 C ATOM 251 CE1 TYR A 19 -43.915 -2.164 10.285 1.00 0.00 C ATOM 252 CE2 TYR A 19 -45.804 -1.238 11.421 1.00 0.00 C ATOM 253 CZ TYR A 19 -44.739 -2.082 11.365 1.00 0.00 C ATOM 254 OH TYR A 19 -44.485 -2.880 12.437 1.00 0.00 O ATOM 0 H TYR A 19 -46.180 2.552 6.984 1.00 0.00 H new ATOM 0 HA TYR A 19 -44.166 1.989 8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -46.526 0.899 8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -45.584 -0.171 7.071 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -43.546 -1.364 8.280 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -46.912 0.285 10.305 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -43.078 -2.847 10.279 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -46.434 -1.202 12.297 1.00 0.00 H new ATOM 0 HH TYR A 19 -45.153 -2.714 13.134 1.00 0.00 H new ATOM 264 N GLY A 20 -42.118 1.346 7.537 1.00 0.00 N ATOM 265 CA GLY A 20 -40.874 0.869 6.956 1.00 0.00 C ATOM 266 C GLY A 20 -39.722 0.985 7.956 1.00 0.00 C ATOM 267 O GLY A 20 -39.639 0.208 8.906 1.00 0.00 O ATOM 0 H GLY A 20 -42.004 1.975 8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -40.988 -0.170 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -40.642 1.445 6.060 1.00 0.00 H new ATOM 271 N TYR A 21 -38.861 1.962 7.708 1.00 0.00 N ATOM 272 CA TYR A 21 -37.718 2.190 8.575 1.00 0.00 C ATOM 273 C TYR A 21 -38.104 3.055 9.776 1.00 0.00 C ATOM 274 O TYR A 21 -37.392 3.997 10.122 1.00 0.00 O ATOM 275 CB TYR A 21 -36.691 2.944 7.728 1.00 0.00 C ATOM 276 CG TYR A 21 -36.318 2.235 6.424 1.00 0.00 C ATOM 277 CD1 TYR A 21 -37.065 2.451 5.284 1.00 0.00 C ATOM 278 CD2 TYR A 21 -35.236 1.379 6.389 1.00 0.00 C ATOM 279 CE1 TYR A 21 -36.715 1.784 4.057 1.00 0.00 C ATOM 280 CE2 TYR A 21 -34.886 0.712 5.162 1.00 0.00 C ATOM 281 CZ TYR A 21 -35.642 0.947 4.056 1.00 0.00 C ATOM 282 OH TYR A 21 -35.312 0.317 2.897 1.00 0.00 O ATOM 0 H TYR A 21 -38.933 2.604 6.919 1.00 0.00 H new ATOM 0 HA TYR A 21 -37.332 1.245 8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -37.085 3.932 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -35.788 3.094 8.319 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -37.912 3.120 5.312 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -34.652 1.210 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -37.291 1.944 3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -34.042 0.040 5.121 1.00 0.00 H new ATOM 0 HH TYR A 21 -34.525 -0.248 3.044 1.00 0.00 H new ATOM 292 N ALA A 22 -39.230 2.704 10.380 1.00 0.00 N ATOM 293 CA ALA A 22 -39.720 3.437 11.535 1.00 0.00 C ATOM 294 C ALA A 22 -38.865 3.087 12.755 1.00 0.00 C ATOM 295 O ALA A 22 -38.318 3.973 13.409 1.00 0.00 O ATOM 296 CB ALA A 22 -41.201 3.121 11.751 1.00 0.00 C ATOM 0 H ALA A 22 -39.817 1.922 10.091 1.00 0.00 H new ATOM 0 HA ALA A 22 -39.637 4.511 11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -41.568 3.671 12.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -41.768 3.415 10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -41.324 2.051 11.922 1.00 0.00 H new ATOM 302 N ALA A 23 -38.778 1.792 13.025 1.00 0.00 N ATOM 303 CA ALA A 23 -37.999 1.314 14.154 1.00 0.00 C ATOM 304 C ALA A 23 -36.562 1.051 13.703 1.00 0.00 C ATOM 305 O ALA A 23 -35.803 0.376 14.397 1.00 0.00 O ATOM 306 CB ALA A 23 -38.664 0.067 14.741 1.00 0.00 C ATOM 0 H ALA A 23 -39.234 1.060 12.481 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.964 2.067 14.942 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.080 -0.292 15.588 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.672 0.315 15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.715 -0.711 13.979 1.00 0.00 H new ATOM 312 N GLN A 24 -36.230 1.597 12.542 1.00 0.00 N ATOM 313 CA GLN A 24 -34.897 1.430 11.989 1.00 0.00 C ATOM 314 C GLN A 24 -33.961 2.515 12.524 1.00 0.00 C ATOM 315 O GLN A 24 -32.773 2.529 12.202 1.00 0.00 O ATOM 316 CB GLN A 24 -34.932 1.440 10.460 1.00 0.00 C ATOM 317 CG GLN A 24 -35.164 0.033 9.907 1.00 0.00 C ATOM 318 CD GLN A 24 -33.862 -0.772 9.892 1.00 0.00 C ATOM 319 OE1 GLN A 24 -33.068 -0.701 8.969 1.00 0.00 O ATOM 320 NE2 GLN A 24 -33.689 -1.539 10.965 1.00 0.00 N ATOM 0 H GLN A 24 -36.862 2.156 11.969 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.513 0.459 12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.724 2.105 10.115 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.993 1.836 10.074 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -35.908 -0.483 10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -35.568 0.097 8.897 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -34.394 -1.551 11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -32.851 -2.115 11.051 1.00 0.00 H new ATOM 329 N ALA A 25 -34.530 3.398 13.332 1.00 0.00 N ATOM 330 CA ALA A 25 -33.761 4.484 13.914 1.00 0.00 C ATOM 331 C ALA A 25 -32.636 3.904 14.774 1.00 0.00 C ATOM 332 O ALA A 25 -31.651 4.584 15.055 1.00 0.00 O ATOM 333 CB ALA A 25 -34.692 5.398 14.713 1.00 0.00 C ATOM 0 H ALA A 25 -35.515 3.383 13.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.301 5.089 13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.115 6.213 15.150 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.455 5.808 14.052 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.170 4.825 15.508 1.00 0.00 H new ATOM 339 N ARG A 26 -32.821 2.652 15.166 1.00 0.00 N ATOM 340 CA ARG A 26 -31.834 1.972 15.988 1.00 0.00 C ATOM 341 C ARG A 26 -30.593 1.637 15.158 1.00 0.00 C ATOM 342 O ARG A 26 -29.481 1.605 15.684 1.00 0.00 O ATOM 343 CB ARG A 26 -32.405 0.683 16.581 1.00 0.00 C ATOM 344 CG ARG A 26 -32.206 0.642 18.098 1.00 0.00 C ATOM 345 CD ARG A 26 -33.536 0.823 18.831 1.00 0.00 C ATOM 346 NE ARG A 26 -33.876 2.261 18.915 1.00 0.00 N ATOM 347 CZ ARG A 26 -34.858 2.762 19.694 1.00 0.00 C ATOM 348 NH1 ARG A 26 -35.606 1.945 20.465 1.00 0.00 N ATOM 349 NH2 ARG A 26 -35.076 4.064 19.690 1.00 0.00 N ATOM 0 H ARG A 26 -33.639 2.091 14.930 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.561 2.643 16.802 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.467 0.611 16.348 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -31.919 -0.179 16.123 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.756 -0.309 18.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.511 1.427 18.398 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -34.326 0.284 18.307 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -33.470 0.397 19.832 1.00 0.00 H new ATOM 0 HE ARG A 26 -33.334 2.914 18.349 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -35.431 0.940 20.462 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -36.346 2.332 21.050 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -34.506 4.675 19.104 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -35.814 4.459 20.273 1.00 0.00 H new ATOM 362 N ALA A 27 -30.824 1.395 13.876 1.00 0.00 N ATOM 363 CA ALA A 27 -29.739 1.064 12.969 1.00 0.00 C ATOM 364 C ALA A 27 -28.870 2.304 12.745 1.00 0.00 C ATOM 365 O ALA A 27 -27.666 2.191 12.524 1.00 0.00 O ATOM 366 CB ALA A 27 -30.314 0.512 11.664 1.00 0.00 C ATOM 0 H ALA A 27 -31.748 1.422 13.444 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.104 0.289 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.499 0.264 10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.897 -0.384 11.874 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.956 1.263 11.203 1.00 0.00 H new ATOM 372 N ARG A 28 -29.516 3.459 12.811 1.00 0.00 N ATOM 373 CA ARG A 28 -28.818 4.718 12.618 1.00 0.00 C ATOM 374 C ARG A 28 -27.750 4.904 13.698 1.00 0.00 C ATOM 375 O ARG A 28 -26.719 5.529 13.454 1.00 0.00 O ATOM 376 CB ARG A 28 -29.790 5.899 12.662 1.00 0.00 C ATOM 377 CG ARG A 28 -29.336 7.019 11.725 1.00 0.00 C ATOM 378 CD ARG A 28 -30.375 7.274 10.631 1.00 0.00 C ATOM 379 NE ARG A 28 -31.100 8.535 10.906 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.658 9.757 10.541 1.00 0.00 C ATOM 381 NH1 ARG A 28 -29.488 9.894 9.881 1.00 0.00 N ATOM 382 NH2 ARG A 28 -31.387 10.817 10.838 1.00 0.00 N ATOM 0 H ARG A 28 -30.515 3.549 12.995 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.345 4.688 11.636 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.787 5.564 12.377 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.860 6.279 13.681 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.173 7.933 12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.382 6.753 11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.885 7.331 9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.079 6.443 10.585 1.00 0.00 H new ATOM 0 HE ARG A 28 -31.989 8.477 11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -28.931 9.070 9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -29.161 10.821 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -32.270 10.705 11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -31.067 11.748 10.569 1.00 0.00 H new ATOM 395 N GLU A 29 -28.035 4.351 14.867 1.00 0.00 N ATOM 396 CA GLU A 29 -27.112 4.448 15.985 1.00 0.00 C ATOM 397 C GLU A 29 -26.004 3.401 15.851 1.00 0.00 C ATOM 398 O GLU A 29 -24.909 3.580 16.382 1.00 0.00 O ATOM 399 CB GLU A 29 -27.848 4.300 17.319 1.00 0.00 C ATOM 400 CG GLU A 29 -28.125 5.667 17.947 1.00 0.00 C ATOM 401 CD GLU A 29 -28.718 5.515 19.349 1.00 0.00 C ATOM 402 OE1 GLU A 29 -28.105 4.876 20.216 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.859 6.091 19.523 1.00 0.00 O ATOM 0 H GLU A 29 -28.892 3.834 15.065 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.655 5.437 15.968 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.788 3.770 17.163 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.251 3.696 18.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -27.200 6.241 18.000 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -28.814 6.229 17.316 1.00 0.00 H new ATOM 411 N ARG A 30 -26.327 2.332 15.139 1.00 0.00 N ATOM 412 CA ARG A 30 -25.372 1.257 14.928 1.00 0.00 C ATOM 413 C ARG A 30 -24.557 1.512 13.659 1.00 0.00 C ATOM 414 O ARG A 30 -23.409 1.081 13.557 1.00 0.00 O ATOM 415 CB ARG A 30 -26.082 -0.093 14.807 1.00 0.00 C ATOM 416 CG ARG A 30 -26.110 -0.820 16.153 1.00 0.00 C ATOM 417 CD ARG A 30 -25.906 -2.325 15.968 1.00 0.00 C ATOM 418 NE ARG A 30 -25.960 -3.009 17.279 1.00 0.00 N ATOM 419 CZ ARG A 30 -25.433 -4.228 17.520 1.00 0.00 C ATOM 420 NH1 ARG A 30 -24.806 -4.909 16.538 1.00 0.00 N ATOM 421 NH2 ARG A 30 -25.540 -4.744 18.731 1.00 0.00 N ATOM 0 H ARG A 30 -27.237 2.187 14.701 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.707 1.230 15.791 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.101 0.058 14.450 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.573 -0.710 14.067 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.331 -0.421 16.802 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -27.063 -0.637 16.649 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -26.675 -2.726 15.308 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -24.945 -2.514 15.490 1.00 0.00 H new ATOM 0 HE ARG A 30 -26.425 -2.529 18.049 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -24.728 -4.503 15.606 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -24.410 -5.830 16.728 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.015 -4.222 19.467 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -25.147 -5.664 18.930 1.00 0.00 H new ATOM 434 N GLU A 31 -25.181 2.212 12.723 1.00 0.00 N ATOM 435 CA GLU A 31 -24.528 2.530 11.465 1.00 0.00 C ATOM 436 C GLU A 31 -23.350 3.477 11.703 1.00 0.00 C ATOM 437 O GLU A 31 -22.389 3.484 10.935 1.00 0.00 O ATOM 438 CB GLU A 31 -25.520 3.130 10.468 1.00 0.00 C ATOM 439 CG GLU A 31 -26.265 2.032 9.706 1.00 0.00 C ATOM 440 CD GLU A 31 -26.932 2.592 8.449 1.00 0.00 C ATOM 441 OE1 GLU A 31 -28.164 2.529 8.320 1.00 0.00 O ATOM 442 OE2 GLU A 31 -26.124 3.109 7.587 1.00 0.00 O ATOM 0 H GLU A 31 -26.133 2.568 12.811 1.00 0.00 H new ATOM 0 HA GLU A 31 -24.145 1.605 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.235 3.760 10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.990 3.771 9.763 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -25.569 1.240 9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -27.019 1.583 10.353 1.00 0.00 H new ATOM 450 N ARG A 32 -23.462 4.253 12.771 1.00 0.00 N ATOM 451 CA ARG A 32 -22.418 5.202 13.120 1.00 0.00 C ATOM 452 C ARG A 32 -21.094 4.472 13.352 1.00 0.00 C ATOM 453 O ARG A 32 -20.024 5.028 13.110 1.00 0.00 O ATOM 454 CB ARG A 32 -22.787 5.987 14.380 1.00 0.00 C ATOM 455 CG ARG A 32 -23.107 7.445 14.043 1.00 0.00 C ATOM 456 CD ARG A 32 -24.223 7.983 14.941 1.00 0.00 C ATOM 457 NE ARG A 32 -24.996 9.019 14.221 1.00 0.00 N ATOM 458 CZ ARG A 32 -26.026 9.706 14.760 1.00 0.00 C ATOM 459 NH1 ARG A 32 -26.415 9.472 16.032 1.00 0.00 N ATOM 460 NH2 ARG A 32 -26.647 10.610 14.026 1.00 0.00 N ATOM 0 H ARG A 32 -24.260 4.244 13.406 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.312 5.899 12.289 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.648 5.524 14.862 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -21.963 5.947 15.092 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.212 8.055 14.164 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.407 7.523 12.998 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.883 7.169 15.243 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.797 8.403 15.852 1.00 0.00 H new ATOM 0 HE ARG A 32 -24.735 9.227 13.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.930 8.772 16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.194 9.995 16.432 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -26.347 10.781 13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -27.427 11.137 14.418 1.00 0.00 H new ATOM 473 N LEU A 33 -21.209 3.236 13.817 1.00 0.00 N ATOM 474 CA LEU A 33 -20.034 2.425 14.084 1.00 0.00 C ATOM 475 C LEU A 33 -19.667 1.636 12.825 1.00 0.00 C ATOM 476 O LEU A 33 -18.573 1.082 12.733 1.00 0.00 O ATOM 477 CB LEU A 33 -20.258 1.546 15.317 1.00 0.00 C ATOM 478 CG LEU A 33 -19.202 1.655 16.419 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.853 1.653 17.803 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.149 0.554 16.279 1.00 0.00 C ATOM 0 H LEU A 33 -22.098 2.777 14.015 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.180 3.059 14.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.229 1.796 15.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.311 0.507 14.993 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.687 2.609 16.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -19.081 1.731 18.568 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.534 2.500 17.886 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.409 0.726 17.942 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.410 0.654 17.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.630 -0.421 16.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.655 0.644 15.311 1.00 0.00 H new ATOM 492 N ALA A 34 -20.604 1.611 11.888 1.00 0.00 N ATOM 493 CA ALA A 34 -20.393 0.900 10.639 1.00 0.00 C ATOM 494 C ALA A 34 -19.590 1.784 9.682 1.00 0.00 C ATOM 495 O ALA A 34 -19.369 1.417 8.530 1.00 0.00 O ATOM 496 CB ALA A 34 -21.744 0.484 10.054 1.00 0.00 C ATOM 0 H ALA A 34 -21.510 2.072 11.969 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.817 -0.010 10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.586 -0.050 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.261 -0.167 10.759 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.349 1.372 9.869 1.00 0.00 H new ATOM 502 N HIS A 35 -19.177 2.933 10.196 1.00 0.00 N ATOM 503 CA HIS A 35 -18.404 3.873 9.402 1.00 0.00 C ATOM 504 C HIS A 35 -16.912 3.579 9.568 1.00 0.00 C ATOM 505 O HIS A 35 -16.086 4.101 8.820 1.00 0.00 O ATOM 506 CB HIS A 35 -18.768 5.315 9.761 1.00 0.00 C ATOM 507 CG HIS A 35 -18.484 6.312 8.662 1.00 0.00 C ATOM 508 ND1 HIS A 35 -18.068 7.607 8.914 1.00 0.00 N ATOM 509 CD2 HIS A 35 -18.560 6.188 7.306 1.00 0.00 C ATOM 510 CE1 HIS A 35 -17.905 8.227 7.755 1.00 0.00 C ATOM 511 NE2 HIS A 35 -18.211 7.346 6.759 1.00 0.00 N ATOM 0 H HIS A 35 -19.363 3.234 11.153 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.648 3.750 8.347 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.828 5.359 10.013 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -18.215 5.607 10.654 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.854 5.299 6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -17.586 9.250 7.622 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -18.177 7.545 5.759 1.00 0.00 H new ATOM 519 N SER A 36 -16.611 2.745 10.552 1.00 0.00 N ATOM 520 CA SER A 36 -15.233 2.376 10.826 1.00 0.00 C ATOM 521 C SER A 36 -14.855 1.131 10.020 1.00 0.00 C ATOM 522 O SER A 36 -13.674 0.859 9.808 1.00 0.00 O ATOM 523 CB SER A 36 -15.015 2.126 12.319 1.00 0.00 C ATOM 524 OG SER A 36 -14.716 3.329 13.023 1.00 0.00 O ATOM 0 H SER A 36 -17.299 2.314 11.170 1.00 0.00 H new ATOM 0 HA SER A 36 -14.592 3.205 10.527 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.909 1.669 12.745 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.199 1.415 12.452 1.00 0.00 H new ATOM 0 HG SER A 36 -14.585 3.128 13.973 1.00 0.00 H new ATOM 530 N ARG A 37 -15.879 0.409 9.591 1.00 0.00 N ATOM 531 CA ARG A 37 -15.669 -0.800 8.812 1.00 0.00 C ATOM 532 C ARG A 37 -15.631 -0.469 7.319 1.00 0.00 C ATOM 533 O ARG A 37 -15.682 -1.367 6.480 1.00 0.00 O ATOM 534 CB ARG A 37 -16.777 -1.822 9.073 1.00 0.00 C ATOM 535 CG ARG A 37 -16.201 -3.233 9.207 1.00 0.00 C ATOM 536 CD ARG A 37 -17.309 -4.286 9.146 1.00 0.00 C ATOM 537 NE ARG A 37 -17.951 -4.422 10.472 1.00 0.00 N ATOM 538 CZ ARG A 37 -18.669 -5.498 10.859 1.00 0.00 C ATOM 539 NH1 ARG A 37 -18.842 -6.543 10.022 1.00 0.00 N ATOM 540 NH2 ARG A 37 -19.199 -5.513 12.068 1.00 0.00 N ATOM 0 H ARG A 37 -16.857 0.638 9.768 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.715 -1.230 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.314 -1.557 9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.500 -1.796 8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.480 -3.412 8.410 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.662 -3.321 10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -18.052 -4.002 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.894 -5.244 8.833 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.845 -3.655 11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.429 -6.523 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.386 -7.352 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -19.063 -4.719 12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -19.744 -6.318 12.376 1.00 0.00 H new ATOM 553 N ALA A 38 -15.541 0.821 7.033 1.00 0.00 N ATOM 554 CA ALA A 38 -15.495 1.281 5.656 1.00 0.00 C ATOM 555 C ALA A 38 -14.056 1.203 5.144 1.00 0.00 C ATOM 556 O ALA A 38 -13.780 0.526 4.155 1.00 0.00 O ATOM 557 CB ALA A 38 -16.068 2.697 5.571 1.00 0.00 C ATOM 0 H ALA A 38 -15.499 1.563 7.732 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.107 0.643 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.033 3.042 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.101 2.693 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.478 3.366 6.197 1.00 0.00 H new ATOM 563 N ALA A 39 -13.175 1.906 5.841 1.00 0.00 N ATOM 564 CA ALA A 39 -11.770 1.925 5.470 1.00 0.00 C ATOM 565 C ALA A 39 -11.175 0.530 5.674 1.00 0.00 C ATOM 566 O ALA A 39 -11.685 -0.257 6.470 1.00 0.00 O ATOM 567 CB ALA A 39 -11.041 2.995 6.285 1.00 0.00 C ATOM 0 H ALA A 39 -13.407 2.467 6.661 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.654 2.182 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.987 3.009 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.483 3.971 6.083 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.133 2.769 7.347 1.00 0.00 H new ATOM 573 N ALA A 40 -10.103 0.266 4.941 1.00 0.00 N ATOM 574 CA ALA A 40 -9.432 -1.019 5.031 1.00 0.00 C ATOM 575 C ALA A 40 -8.372 -0.961 6.132 1.00 0.00 C ATOM 576 O ALA A 40 -8.483 -1.651 7.144 1.00 0.00 O ATOM 577 CB ALA A 40 -8.838 -1.382 3.668 1.00 0.00 C ATOM 0 H ALA A 40 -9.683 0.921 4.282 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.141 -1.803 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.334 -2.346 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.636 -1.440 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.120 -0.618 3.369 1.00 0.00 H new ATOM 583 N ALA A 41 -7.367 -0.129 5.898 1.00 0.00 N ATOM 584 CA ALA A 41 -6.287 0.029 6.857 1.00 0.00 C ATOM 585 C ALA A 41 -6.863 0.005 8.275 1.00 0.00 C ATOM 586 O ALA A 41 -7.356 1.020 8.765 1.00 0.00 O ATOM 587 CB ALA A 41 -5.524 1.321 6.559 1.00 0.00 C ATOM 0 H ALA A 41 -7.278 0.443 5.058 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.577 -0.794 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.714 1.439 7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.111 1.275 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.203 2.170 6.634 1.00 0.00 H new ATOM 593 N ALA A 42 -6.780 -1.164 8.893 1.00 0.00 N ATOM 594 CA ALA A 42 -7.287 -1.333 10.245 1.00 0.00 C ATOM 595 C ALA A 42 -6.116 -1.314 11.229 1.00 0.00 C ATOM 596 O ALA A 42 -5.902 -0.322 11.925 1.00 0.00 O ATOM 597 CB ALA A 42 -8.098 -2.627 10.328 1.00 0.00 C ATOM 0 H ALA A 42 -6.370 -2.003 8.483 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.954 -0.513 10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.478 -2.754 11.342 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.934 -2.578 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.461 -3.473 10.071 1.00 0.00 H new ATOM 603 N ALA A 43 -5.389 -2.421 11.257 1.00 0.00 N ATOM 604 CA ALA A 43 -4.246 -2.545 12.145 1.00 0.00 C ATOM 605 C ALA A 43 -3.293 -1.371 11.909 1.00 0.00 C ATOM 606 O ALA A 43 -2.462 -1.060 12.760 1.00 0.00 O ATOM 607 CB ALA A 43 -3.569 -3.898 11.921 1.00 0.00 C ATOM 0 H ALA A 43 -5.570 -3.241 10.678 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.564 -2.508 13.187 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.711 -3.991 12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.279 -4.699 12.129 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.234 -3.970 10.886 1.00 0.00 H new ATOM 613 N VAL A 44 -3.447 -0.750 10.748 1.00 0.00 N ATOM 614 CA VAL A 44 -2.611 0.383 10.389 1.00 0.00 C ATOM 615 C VAL A 44 -3.288 1.676 10.846 1.00 0.00 C ATOM 616 O VAL A 44 -2.614 2.652 11.173 1.00 0.00 O ATOM 617 CB VAL A 44 -2.316 0.361 8.888 1.00 0.00 C ATOM 618 CG1 VAL A 44 -2.441 1.761 8.284 1.00 0.00 C ATOM 619 CG2 VAL A 44 -0.934 -0.235 8.610 1.00 0.00 C ATOM 0 H VAL A 44 -4.138 -1.010 10.044 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.648 0.323 10.897 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.059 -0.277 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.226 1.717 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.454 2.133 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.732 2.431 8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.749 -0.239 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.172 0.365 9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.895 -1.256 8.989 1.00 0.00 H new ATOM 629 N ALA A 45 -4.612 1.642 10.855 1.00 0.00 N ATOM 630 CA ALA A 45 -5.388 2.799 11.267 1.00 0.00 C ATOM 631 C ALA A 45 -4.756 3.413 12.518 1.00 0.00 C ATOM 632 O ALA A 45 -4.347 4.573 12.505 1.00 0.00 O ATOM 633 CB ALA A 45 -6.843 2.384 11.494 1.00 0.00 C ATOM 0 H ALA A 45 -5.168 0.831 10.583 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.384 3.561 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.425 3.252 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.255 1.982 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.887 1.622 12.272 1.00 0.00 H new ATOM 639 N ALA A 46 -4.695 2.607 13.568 1.00 0.00 N ATOM 640 CA ALA A 46 -4.120 3.057 14.824 1.00 0.00 C ATOM 641 C ALA A 46 -2.625 3.318 14.630 1.00 0.00 C ATOM 642 O ALA A 46 -2.147 4.424 14.879 1.00 0.00 O ATOM 643 CB ALA A 46 -4.393 2.018 15.912 1.00 0.00 C ATOM 0 H ALA A 46 -5.034 1.645 13.575 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.580 3.992 15.144 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.961 2.356 16.854 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.469 1.890 16.031 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.943 1.067 15.628 1.00 0.00 H new ATOM 649 N ALA A 47 -1.928 2.282 14.186 1.00 0.00 N ATOM 650 CA ALA A 47 -0.497 2.386 13.956 1.00 0.00 C ATOM 651 C ALA A 47 -0.228 3.494 12.936 1.00 0.00 C ATOM 652 O ALA A 47 -1.133 4.247 12.578 1.00 0.00 O ATOM 653 CB ALA A 47 0.046 1.030 13.501 1.00 0.00 C ATOM 0 H ALA A 47 -2.328 1.367 13.979 1.00 0.00 H new ATOM 0 HA ALA A 47 0.022 2.653 14.877 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.119 1.107 13.328 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.145 0.284 14.273 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.449 0.731 12.577 1.00 0.00 H new ATOM 659 N THR A 48 1.020 3.559 12.496 1.00 0.00 N ATOM 660 CA THR A 48 1.420 4.562 11.524 1.00 0.00 C ATOM 661 C THR A 48 1.246 5.967 12.105 1.00 0.00 C ATOM 662 O THR A 48 0.457 6.761 11.595 1.00 0.00 O ATOM 663 CB THR A 48 0.612 4.330 10.245 1.00 0.00 C ATOM 664 OG1 THR A 48 1.076 3.071 9.765 1.00 0.00 O ATOM 665 CG2 THR A 48 0.982 5.312 9.132 1.00 0.00 C ATOM 0 H THR A 48 1.768 2.933 12.795 1.00 0.00 H new ATOM 0 HA THR A 48 2.478 4.474 11.278 1.00 0.00 H new ATOM 0 HB THR A 48 -0.452 4.417 10.467 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.603 2.842 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.380 5.103 8.248 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.792 6.331 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.038 5.202 8.886 1.00 0.00 H new ATOM 673 N ALA A 49 1.996 6.231 13.165 1.00 0.00 N ATOM 674 CA ALA A 49 1.936 7.526 13.821 1.00 0.00 C ATOM 675 C ALA A 49 2.064 8.631 12.771 1.00 0.00 C ATOM 676 O ALA A 49 2.925 8.563 11.895 1.00 0.00 O ATOM 677 CB ALA A 49 3.026 7.608 14.891 1.00 0.00 C ATOM 0 H ALA A 49 2.649 5.570 13.586 1.00 0.00 H new ATOM 0 HA ALA A 49 0.977 7.658 14.323 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.981 8.580 15.383 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.872 6.820 15.629 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.003 7.482 14.425 1.00 0.00 H new ATOM 683 N ALA A 50 1.196 9.624 12.894 1.00 0.00 N ATOM 684 CA ALA A 50 1.202 10.743 11.967 1.00 0.00 C ATOM 685 C ALA A 50 2.226 11.780 12.432 1.00 0.00 C ATOM 686 O ALA A 50 1.914 12.965 12.530 1.00 0.00 O ATOM 687 CB ALA A 50 -0.209 11.324 11.859 1.00 0.00 C ATOM 0 H ALA A 50 0.483 9.677 13.622 1.00 0.00 H new ATOM 0 HA ALA A 50 1.496 10.414 10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.205 12.163 11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.892 10.556 11.496 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.537 11.667 12.840 1.00 0.00 H new ATOM 693 N VAL A 51 3.429 11.295 12.706 1.00 0.00 N ATOM 694 CA VAL A 51 4.501 12.165 13.158 1.00 0.00 C ATOM 695 C VAL A 51 5.734 11.948 12.279 1.00 0.00 C ATOM 696 O VAL A 51 6.827 11.704 12.786 1.00 0.00 O ATOM 697 CB VAL A 51 4.777 11.927 14.644 1.00 0.00 C ATOM 698 CG1 VAL A 51 5.629 10.673 14.849 1.00 0.00 C ATOM 699 CG2 VAL A 51 5.439 13.150 15.282 1.00 0.00 C ATOM 0 H VAL A 51 3.684 10.311 12.624 1.00 0.00 H new ATOM 0 HA VAL A 51 4.211 13.211 13.058 1.00 0.00 H new ATOM 0 HB VAL A 51 3.820 11.767 15.141 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.811 10.527 15.914 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.103 9.806 14.448 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.581 10.791 14.331 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.624 12.954 16.338 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.384 13.355 14.780 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.781 14.013 15.183 1.00 0.00 H new ATOM 709 N GLU A 52 5.516 12.044 10.976 1.00 0.00 N ATOM 710 CA GLU A 52 6.595 11.861 10.021 1.00 0.00 C ATOM 711 C GLU A 52 7.866 12.553 10.518 1.00 0.00 C ATOM 712 O GLU A 52 7.799 13.619 11.128 1.00 0.00 O ATOM 713 CB GLU A 52 6.196 12.376 8.636 1.00 0.00 C ATOM 714 CG GLU A 52 7.117 11.809 7.554 1.00 0.00 C ATOM 715 CD GLU A 52 6.467 11.912 6.172 1.00 0.00 C ATOM 716 OE1 GLU A 52 5.234 11.988 6.072 1.00 0.00 O ATOM 717 OE2 GLU A 52 7.292 11.912 5.181 1.00 0.00 O ATOM 0 H GLU A 52 4.607 12.246 10.559 1.00 0.00 H new ATOM 0 HA GLU A 52 6.797 10.794 9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.164 12.096 8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.240 13.465 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.063 12.350 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.346 10.767 7.776 1.00 0.00 H new ATOM 725 N GLY A 53 8.995 11.918 10.238 1.00 0.00 N ATOM 726 CA GLY A 53 10.280 12.460 10.649 1.00 0.00 C ATOM 727 C GLY A 53 10.569 12.131 12.115 1.00 0.00 C ATOM 728 O GLY A 53 10.166 12.870 13.011 1.00 0.00 O ATOM 0 H GLY A 53 9.047 11.034 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.070 12.052 10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.285 13.541 10.507 1.00 0.00 H new ATOM 732 N THR A 54 11.266 11.022 12.313 1.00 0.00 N ATOM 733 CA THR A 54 11.614 10.586 13.655 1.00 0.00 C ATOM 734 C THR A 54 12.881 9.730 13.625 1.00 0.00 C ATOM 735 O THR A 54 13.084 8.947 12.698 1.00 0.00 O ATOM 736 CB THR A 54 10.403 9.861 14.245 1.00 0.00 C ATOM 737 OG1 THR A 54 9.397 10.867 14.319 1.00 0.00 O ATOM 738 CG2 THR A 54 10.623 9.445 15.701 1.00 0.00 C ATOM 0 H THR A 54 11.599 10.412 11.567 1.00 0.00 H new ATOM 0 HA THR A 54 11.848 11.434 14.299 1.00 0.00 H new ATOM 0 HB THR A 54 10.180 8.979 13.645 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.790 11.739 14.105 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.734 8.935 16.072 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.479 8.773 15.762 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.813 10.330 16.308 1.00 0.00 H new ATOM 746 N GLY A 55 13.701 9.907 14.651 1.00 0.00 N ATOM 747 CA GLY A 55 14.943 9.160 14.755 1.00 0.00 C ATOM 748 C GLY A 55 16.153 10.087 14.623 1.00 0.00 C ATOM 749 O GLY A 55 16.086 11.107 13.939 1.00 0.00 O ATOM 0 H GLY A 55 13.529 10.557 15.418 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.980 8.641 15.713 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.979 8.397 13.978 1.00 0.00 H new ATOM 753 N GLY A 56 17.231 9.698 15.288 1.00 0.00 N ATOM 754 CA GLY A 56 18.454 10.482 15.254 1.00 0.00 C ATOM 755 C GLY A 56 19.114 10.528 16.633 1.00 0.00 C ATOM 756 O GLY A 56 18.631 11.211 17.534 1.00 0.00 O ATOM 0 H GLY A 56 17.283 8.851 15.853 1.00 0.00 H new ATOM 0 HA2 GLY A 56 19.146 10.052 14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 56 18.232 11.495 14.919 1.00 0.00 H new ATOM 760 N SER A 57 20.209 9.792 16.755 1.00 0.00 N ATOM 761 CA SER A 57 20.941 9.741 18.009 1.00 0.00 C ATOM 762 C SER A 57 22.157 8.822 17.868 1.00 0.00 C ATOM 763 O SER A 57 22.092 7.802 17.182 1.00 0.00 O ATOM 764 CB SER A 57 20.043 9.262 19.151 1.00 0.00 C ATOM 765 OG SER A 57 20.351 9.912 20.381 1.00 0.00 O ATOM 0 H SER A 57 20.607 9.226 16.006 1.00 0.00 H new ATOM 0 HA SER A 57 21.281 10.749 18.248 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.000 9.447 18.894 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.155 8.185 19.272 1.00 0.00 H new ATOM 0 HG SER A 57 19.755 9.580 21.085 1.00 0.00 H new ATOM 771 N GLY A 58 23.236 9.215 18.529 1.00 0.00 N ATOM 772 CA GLY A 58 24.463 8.440 18.486 1.00 0.00 C ATOM 773 C GLY A 58 25.244 8.577 19.794 1.00 0.00 C ATOM 774 O GLY A 58 24.816 9.282 20.706 1.00 0.00 O ATOM 0 H GLY A 58 23.285 10.061 19.097 1.00 0.00 H new ATOM 0 HA2 GLY A 58 24.228 7.391 18.307 1.00 0.00 H new ATOM 0 HA3 GLY A 58 25.080 8.776 17.653 1.00 0.00 H new ATOM 778 N GLY A 59 26.377 7.891 19.845 1.00 0.00 N ATOM 779 CA GLY A 59 27.221 7.927 21.027 1.00 0.00 C ATOM 780 C GLY A 59 28.631 8.408 20.678 1.00 0.00 C ATOM 781 O GLY A 59 28.800 9.295 19.842 1.00 0.00 O ATOM 0 H GLY A 59 26.730 7.307 19.087 1.00 0.00 H new ATOM 0 HA2 GLY A 59 26.781 8.589 21.773 1.00 0.00 H new ATOM 0 HA3 GLY A 59 27.271 6.934 21.473 1.00 0.00 H new ATOM 785 N GLY A 60 29.609 7.803 21.337 1.00 0.00 N ATOM 786 CA GLY A 60 30.999 8.158 21.107 1.00 0.00 C ATOM 787 C GLY A 60 31.914 6.949 21.306 1.00 0.00 C ATOM 788 O GLY A 60 31.439 5.833 21.515 1.00 0.00 O ATOM 0 H GLY A 60 29.466 7.069 22.031 1.00 0.00 H new ATOM 0 HA2 GLY A 60 31.116 8.545 20.095 1.00 0.00 H new ATOM 0 HA3 GLY A 60 31.292 8.956 21.789 1.00 0.00 H new ATOM 792 N PRO A 61 33.245 7.217 21.232 1.00 0.00 N ATOM 793 CA PRO A 61 34.232 6.163 21.401 1.00 0.00 C ATOM 794 C PRO A 61 34.359 5.763 22.872 1.00 0.00 C ATOM 795 O PRO A 61 33.859 6.458 23.754 1.00 0.00 O ATOM 796 CB PRO A 61 35.518 6.733 20.826 1.00 0.00 C ATOM 797 CG PRO A 61 35.324 8.240 20.783 1.00 0.00 C ATOM 798 CD PRO A 61 33.845 8.525 20.986 1.00 0.00 C ATOM 0 HA PRO A 61 33.957 5.242 20.888 1.00 0.00 H new ATOM 0 HB2 PRO A 61 36.374 6.467 21.446 1.00 0.00 H new ATOM 0 HB3 PRO A 61 35.710 6.335 19.829 1.00 0.00 H new ATOM 0 HG2 PRO A 61 35.916 8.724 21.560 1.00 0.00 H new ATOM 0 HG3 PRO A 61 35.663 8.641 19.828 1.00 0.00 H new ATOM 0 HD2 PRO A 61 33.684 9.199 21.827 1.00 0.00 H new ATOM 0 HD3 PRO A 61 33.409 9.001 20.108 1.00 0.00 H new ATOM 806 N HIS A 62 35.032 4.642 23.090 1.00 0.00 N ATOM 807 CA HIS A 62 35.231 4.140 24.439 1.00 0.00 C ATOM 808 C HIS A 62 36.556 4.670 24.993 1.00 0.00 C ATOM 809 O HIS A 62 37.509 3.911 25.163 1.00 0.00 O ATOM 810 CB HIS A 62 35.144 2.613 24.470 1.00 0.00 C ATOM 811 CG HIS A 62 34.440 2.062 25.686 1.00 0.00 C ATOM 812 ND1 HIS A 62 34.107 0.725 25.819 1.00 0.00 N ATOM 813 CD2 HIS A 62 34.011 2.680 26.824 1.00 0.00 C ATOM 814 CE1 HIS A 62 33.504 0.558 26.987 1.00 0.00 C ATOM 815 NE2 HIS A 62 33.445 1.771 27.608 1.00 0.00 N ATOM 0 H HIS A 62 35.446 4.068 22.356 1.00 0.00 H new ATOM 0 HA HIS A 62 34.434 4.504 25.087 1.00 0.00 H new ATOM 0 HB2 HIS A 62 34.623 2.271 23.576 1.00 0.00 H new ATOM 0 HB3 HIS A 62 36.152 2.201 24.429 1.00 0.00 H new ATOM 0 HD2 HIS A 62 34.114 3.731 27.049 1.00 0.00 H new ATOM 0 HE1 HIS A 62 33.126 -0.375 27.379 1.00 0.00 H new ATOM 0 HE2 HIS A 62 33.034 1.950 28.524 1.00 0.00 H new ATOM 823 N HIS A 63 36.573 5.968 25.258 1.00 0.00 N ATOM 824 CA HIS A 63 37.765 6.607 25.789 1.00 0.00 C ATOM 825 C HIS A 63 38.424 5.689 26.820 1.00 0.00 C ATOM 826 O HIS A 63 37.758 4.849 27.424 1.00 0.00 O ATOM 827 CB HIS A 63 37.434 7.991 26.352 1.00 0.00 C ATOM 828 CG HIS A 63 38.276 9.105 25.780 1.00 0.00 C ATOM 829 ND1 HIS A 63 37.768 10.361 25.498 1.00 0.00 N ATOM 830 CD2 HIS A 63 39.597 9.139 25.440 1.00 0.00 C ATOM 831 CE1 HIS A 63 38.747 11.109 25.010 1.00 0.00 C ATOM 832 NE2 HIS A 63 39.880 10.350 24.975 1.00 0.00 N ATOM 0 H HIS A 63 35.781 6.594 25.115 1.00 0.00 H new ATOM 0 HA HIS A 63 38.484 6.768 24.986 1.00 0.00 H new ATOM 0 HB2 HIS A 63 36.383 8.208 26.159 1.00 0.00 H new ATOM 0 HB3 HIS A 63 37.562 7.972 27.434 1.00 0.00 H new ATOM 0 HD2 HIS A 63 40.294 8.320 25.533 1.00 0.00 H new ATOM 0 HE1 HIS A 63 38.663 12.139 24.695 1.00 0.00 H new ATOM 0 HE2 HIS A 63 40.794 10.661 24.646 1.00 0.00 H new ATOM 840 N HIS A 64 39.724 5.881 26.991 1.00 0.00 N ATOM 841 CA HIS A 64 40.480 5.081 27.939 1.00 0.00 C ATOM 842 C HIS A 64 40.377 3.602 27.560 1.00 0.00 C ATOM 843 O HIS A 64 39.356 2.963 27.811 1.00 0.00 O ATOM 844 CB HIS A 64 40.022 5.359 29.372 1.00 0.00 C ATOM 845 CG HIS A 64 40.791 4.593 30.422 1.00 0.00 C ATOM 846 ND1 HIS A 64 42.106 4.878 30.744 1.00 0.00 N ATOM 847 CD2 HIS A 64 40.416 3.551 31.219 1.00 0.00 C ATOM 848 CE1 HIS A 64 42.495 4.038 31.693 1.00 0.00 C ATOM 849 NE2 HIS A 64 41.446 3.217 31.985 1.00 0.00 N ATOM 0 H HIS A 64 40.273 6.579 26.489 1.00 0.00 H new ATOM 0 HA HIS A 64 41.533 5.359 27.896 1.00 0.00 H new ATOM 0 HB2 HIS A 64 40.118 6.426 29.573 1.00 0.00 H new ATOM 0 HB3 HIS A 64 38.964 5.112 29.459 1.00 0.00 H new ATOM 0 HD2 HIS A 64 39.445 3.078 31.225 1.00 0.00 H new ATOM 0 HE1 HIS A 64 43.471 4.009 32.154 1.00 0.00 H new ATOM 0 HE2 HIS A 64 41.452 2.469 32.678 1.00 0.00 H new ATOM 857 N HIS A 65 41.447 3.102 26.961 1.00 0.00 N ATOM 858 CA HIS A 65 41.490 1.710 26.544 1.00 0.00 C ATOM 859 C HIS A 65 42.594 1.520 25.503 1.00 0.00 C ATOM 860 O HIS A 65 42.369 1.723 24.311 1.00 0.00 O ATOM 861 CB HIS A 65 40.118 1.250 26.046 1.00 0.00 C ATOM 862 CG HIS A 65 39.328 0.462 27.063 1.00 0.00 C ATOM 863 ND1 HIS A 65 37.959 0.598 27.218 1.00 0.00 N ATOM 864 CD2 HIS A 65 39.727 -0.472 27.973 1.00 0.00 C ATOM 865 CE1 HIS A 65 37.564 -0.221 28.181 1.00 0.00 C ATOM 866 NE2 HIS A 65 38.661 -0.883 28.648 1.00 0.00 N ATOM 0 H HIS A 65 42.291 3.635 26.754 1.00 0.00 H new ATOM 0 HA HIS A 65 41.732 1.078 27.398 1.00 0.00 H new ATOM 0 HB2 HIS A 65 39.539 2.124 25.749 1.00 0.00 H new ATOM 0 HB3 HIS A 65 40.253 0.639 25.153 1.00 0.00 H new ATOM 0 HD2 HIS A 65 40.739 -0.819 28.120 1.00 0.00 H new ATOM 0 HE1 HIS A 65 36.551 -0.343 28.534 1.00 0.00 H new ATOM 0 HE2 HIS A 65 38.662 -1.579 29.393 1.00 0.00 H new ATOM 874 N GLN A 66 43.763 1.132 25.991 1.00 0.00 N ATOM 875 CA GLN A 66 44.903 0.912 25.117 1.00 0.00 C ATOM 876 C GLN A 66 45.388 -0.535 25.232 1.00 0.00 C ATOM 877 O GLN A 66 44.841 -1.317 26.006 1.00 0.00 O ATOM 878 CB GLN A 66 46.032 1.895 25.430 1.00 0.00 C ATOM 879 CG GLN A 66 46.890 2.158 24.191 1.00 0.00 C ATOM 880 CD GLN A 66 47.101 3.658 23.977 1.00 0.00 C ATOM 881 OE1 GLN A 66 46.182 4.404 23.680 1.00 0.00 O ATOM 882 NE2 GLN A 66 48.358 4.057 24.146 1.00 0.00 N ATOM 0 H GLN A 66 43.945 0.964 26.980 1.00 0.00 H new ATOM 0 HA GLN A 66 44.587 1.089 24.089 1.00 0.00 H new ATOM 0 HB2 GLN A 66 45.612 2.834 25.792 1.00 0.00 H new ATOM 0 HB3 GLN A 66 46.655 1.496 26.230 1.00 0.00 H new ATOM 0 HG2 GLN A 66 47.855 1.664 24.301 1.00 0.00 H new ATOM 0 HG3 GLN A 66 46.409 1.726 23.313 1.00 0.00 H new ATOM 0 HE21 GLN A 66 49.079 3.380 24.394 1.00 0.00 H new ATOM 0 HE22 GLN A 66 48.601 5.040 24.027 1.00 0.00 H new ATOM 891 N THR A 67 46.411 -0.846 24.449 1.00 0.00 N ATOM 892 CA THR A 67 46.976 -2.184 24.453 1.00 0.00 C ATOM 893 C THR A 67 47.486 -2.544 25.850 1.00 0.00 C ATOM 894 O THR A 67 47.483 -1.706 26.750 1.00 0.00 O ATOM 895 CB THR A 67 48.062 -2.243 23.376 1.00 0.00 C ATOM 896 OG1 THR A 67 47.427 -1.716 22.214 1.00 0.00 O ATOM 897 CG2 THR A 67 48.422 -3.677 22.985 1.00 0.00 C ATOM 0 H THR A 67 46.863 -0.194 23.808 1.00 0.00 H new ATOM 0 HA THR A 67 46.220 -2.932 24.214 1.00 0.00 H new ATOM 0 HB THR A 67 48.955 -1.729 23.733 1.00 0.00 H new ATOM 0 HG1 THR A 67 48.061 -1.716 21.467 1.00 0.00 H new ATOM 0 HG21 THR A 67 49.197 -3.662 22.218 1.00 0.00 H new ATOM 0 HG22 THR A 67 48.789 -4.212 23.861 1.00 0.00 H new ATOM 0 HG23 THR A 67 47.537 -4.181 22.597 1.00 0.00 H new ATOM 905 N ARG A 68 47.914 -3.790 25.986 1.00 0.00 N ATOM 906 CA ARG A 68 48.426 -4.271 27.258 1.00 0.00 C ATOM 907 C ARG A 68 47.356 -4.142 28.344 1.00 0.00 C ATOM 908 O ARG A 68 47.112 -3.050 28.854 1.00 0.00 O ATOM 909 CB ARG A 68 49.670 -3.487 27.682 1.00 0.00 C ATOM 910 CG ARG A 68 50.300 -4.096 28.936 1.00 0.00 C ATOM 911 CD ARG A 68 51.747 -3.627 29.106 1.00 0.00 C ATOM 912 NE ARG A 68 51.966 -3.154 30.491 1.00 0.00 N ATOM 913 CZ ARG A 68 53.170 -2.800 30.988 1.00 0.00 C ATOM 914 NH1 ARG A 68 54.276 -2.863 30.216 1.00 0.00 N ATOM 915 NH2 ARG A 68 53.251 -2.392 32.241 1.00 0.00 N ATOM 0 H ARG A 68 47.917 -4.482 25.236 1.00 0.00 H new ATOM 0 HA ARG A 68 48.696 -5.320 27.132 1.00 0.00 H new ATOM 0 HB2 ARG A 68 50.397 -3.484 26.870 1.00 0.00 H new ATOM 0 HB3 ARG A 68 49.402 -2.448 27.873 1.00 0.00 H new ATOM 0 HG2 ARG A 68 49.717 -3.815 29.813 1.00 0.00 H new ATOM 0 HG3 ARG A 68 50.272 -5.184 28.870 1.00 0.00 H new ATOM 0 HD2 ARG A 68 52.432 -4.444 28.879 1.00 0.00 H new ATOM 0 HD3 ARG A 68 51.963 -2.825 28.400 1.00 0.00 H new ATOM 0 HE ARG A 68 51.157 -3.092 31.109 1.00 0.00 H new ATOM 0 HH11 ARG A 68 54.206 -3.180 29.249 1.00 0.00 H new ATOM 0 HH12 ARG A 68 55.182 -2.594 30.600 1.00 0.00 H new ATOM 0 HH21 ARG A 68 52.411 -2.348 32.818 1.00 0.00 H new ATOM 0 HH22 ARG A 68 54.153 -2.121 32.632 1.00 0.00 H new ATOM 928 N GLY A 69 46.746 -5.273 28.666 1.00 0.00 N ATOM 929 CA GLY A 69 45.708 -5.301 29.682 1.00 0.00 C ATOM 930 C GLY A 69 45.980 -6.396 30.715 1.00 0.00 C ATOM 931 O GLY A 69 45.161 -7.294 30.904 1.00 0.00 O ATOM 0 H GLY A 69 46.951 -6.177 28.241 1.00 0.00 H new ATOM 0 HA2 GLY A 69 45.655 -4.332 30.179 1.00 0.00 H new ATOM 0 HA3 GLY A 69 44.739 -5.472 29.212 1.00 0.00 H new ATOM 935 N ALA A 70 47.134 -6.285 31.357 1.00 0.00 N ATOM 936 CA ALA A 70 47.525 -7.255 32.366 1.00 0.00 C ATOM 937 C ALA A 70 48.794 -6.769 33.069 1.00 0.00 C ATOM 938 O ALA A 70 49.896 -6.919 32.542 1.00 0.00 O ATOM 939 CB ALA A 70 47.709 -8.626 31.713 1.00 0.00 C ATOM 0 H ALA A 70 47.811 -5.538 31.198 1.00 0.00 H new ATOM 0 HA ALA A 70 46.747 -7.357 33.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 48.002 -9.353 32.470 1.00 0.00 H new ATOM 0 HB2 ALA A 70 46.771 -8.939 31.253 1.00 0.00 H new ATOM 0 HB3 ALA A 70 48.485 -8.564 30.950 1.00 0.00 H new ATOM 945 N TYR A 71 48.597 -6.198 34.248 1.00 0.00 N ATOM 946 CA TYR A 71 49.713 -5.689 35.029 1.00 0.00 C ATOM 947 C TYR A 71 50.131 -6.692 36.105 1.00 0.00 C ATOM 948 O TYR A 71 50.405 -6.310 37.242 1.00 0.00 O ATOM 949 CB TYR A 71 49.206 -4.414 35.706 1.00 0.00 C ATOM 950 CG TYR A 71 47.895 -4.595 36.473 1.00 0.00 C ATOM 951 CD1 TYR A 71 47.919 -4.974 37.800 1.00 0.00 C ATOM 952 CD2 TYR A 71 46.689 -4.380 35.839 1.00 0.00 C ATOM 953 CE1 TYR A 71 46.685 -5.145 38.523 1.00 0.00 C ATOM 954 CE2 TYR A 71 45.455 -4.551 36.561 1.00 0.00 C ATOM 955 CZ TYR A 71 45.514 -4.925 37.867 1.00 0.00 C ATOM 956 OH TYR A 71 44.349 -5.086 38.550 1.00 0.00 O ATOM 0 H TYR A 71 47.682 -6.076 34.682 1.00 0.00 H new ATOM 0 HA TYR A 71 50.578 -5.508 34.391 1.00 0.00 H new ATOM 0 HB2 TYR A 71 49.970 -4.052 36.394 1.00 0.00 H new ATOM 0 HB3 TYR A 71 49.068 -3.643 34.948 1.00 0.00 H new ATOM 0 HD1 TYR A 71 48.863 -5.142 38.296 1.00 0.00 H new ATOM 0 HD2 TYR A 71 46.670 -4.083 34.801 1.00 0.00 H new ATOM 0 HE1 TYR A 71 46.689 -5.441 39.562 1.00 0.00 H new ATOM 0 HE2 TYR A 71 44.504 -4.386 36.076 1.00 0.00 H new ATOM 0 HH TYR A 71 43.593 -4.894 37.957 1.00 0.00 H new ATOM 966 N SER A 72 50.167 -7.956 35.709 1.00 0.00 N ATOM 967 CA SER A 72 50.547 -9.017 36.626 1.00 0.00 C ATOM 968 C SER A 72 51.920 -9.573 36.243 1.00 0.00 C ATOM 969 O SER A 72 52.359 -9.421 35.104 1.00 0.00 O ATOM 970 CB SER A 72 49.505 -10.137 36.635 1.00 0.00 C ATOM 971 OG SER A 72 48.304 -9.743 37.294 1.00 0.00 O ATOM 0 H SER A 72 49.939 -8.269 34.765 1.00 0.00 H new ATOM 0 HA SER A 72 50.599 -8.598 37.631 1.00 0.00 H new ATOM 0 HB2 SER A 72 49.277 -10.429 35.610 1.00 0.00 H new ATOM 0 HB3 SER A 72 49.920 -11.014 37.131 1.00 0.00 H new ATOM 0 HG SER A 72 47.663 -10.484 37.277 1.00 0.00 H new ATOM 977 N SER A 73 52.560 -10.206 37.215 1.00 0.00 N ATOM 978 CA SER A 73 53.873 -10.785 36.994 1.00 0.00 C ATOM 979 C SER A 73 54.878 -9.686 36.643 1.00 0.00 C ATOM 980 O SER A 73 54.617 -8.858 35.771 1.00 0.00 O ATOM 981 CB SER A 73 53.831 -11.839 35.886 1.00 0.00 C ATOM 982 OG SER A 73 53.899 -13.164 36.406 1.00 0.00 O ATOM 0 H SER A 73 52.193 -10.330 38.158 1.00 0.00 H new ATOM 0 HA SER A 73 54.189 -11.277 37.914 1.00 0.00 H new ATOM 0 HB2 SER A 73 52.913 -11.723 35.310 1.00 0.00 H new ATOM 0 HB3 SER A 73 54.662 -11.676 35.199 1.00 0.00 H new ATOM 0 HG SER A 73 53.868 -13.807 35.667 1.00 0.00 H new ATOM 988 N HIS A 74 56.004 -9.713 37.339 1.00 0.00 N ATOM 989 CA HIS A 74 57.049 -8.729 37.112 1.00 0.00 C ATOM 990 C HIS A 74 58.213 -9.379 36.362 1.00 0.00 C ATOM 991 O HIS A 74 58.743 -10.400 36.797 1.00 0.00 O ATOM 992 CB HIS A 74 57.481 -8.080 38.429 1.00 0.00 C ATOM 993 CG HIS A 74 56.634 -6.899 38.839 1.00 0.00 C ATOM 994 ND1 HIS A 74 56.338 -6.611 40.160 1.00 0.00 N ATOM 995 CD2 HIS A 74 56.023 -5.937 38.089 1.00 0.00 C ATOM 996 CE1 HIS A 74 55.583 -5.523 40.192 1.00 0.00 C ATOM 997 NE2 HIS A 74 55.389 -5.107 38.908 1.00 0.00 N ATOM 0 H HIS A 74 56.216 -10.401 38.061 1.00 0.00 H new ATOM 0 HA HIS A 74 56.664 -7.924 36.487 1.00 0.00 H new ATOM 0 HB2 HIS A 74 57.448 -8.830 39.220 1.00 0.00 H new ATOM 0 HB3 HIS A 74 58.518 -7.757 38.340 1.00 0.00 H new ATOM 0 HD2 HIS A 74 56.051 -5.863 37.012 1.00 0.00 H new ATOM 0 HE1 HIS A 74 55.190 -5.049 41.079 1.00 0.00 H new ATOM 0 HE2 HIS A 74 54.846 -4.292 38.624 1.00 0.00 H new ATOM 1005 N ASP A 75 58.576 -8.761 35.247 1.00 0.00 N ATOM 1006 CA ASP A 75 59.667 -9.268 34.432 1.00 0.00 C ATOM 1007 C ASP A 75 59.501 -10.777 34.247 1.00 0.00 C ATOM 1008 O ASP A 75 59.571 -11.280 33.126 1.00 0.00 O ATOM 1009 CB ASP A 75 61.018 -9.020 35.106 1.00 0.00 C ATOM 1010 CG ASP A 75 62.093 -8.420 34.197 1.00 0.00 C ATOM 1011 OD1 ASP A 75 61.817 -8.026 33.055 1.00 0.00 O ATOM 1012 OD2 ASP A 75 63.275 -8.365 34.713 1.00 0.00 O ATOM 0 H ASP A 75 58.134 -7.914 34.889 1.00 0.00 H new ATOM 0 HA ASP A 75 59.641 -8.750 33.473 1.00 0.00 H new ATOM 0 HB2 ASP A 75 60.867 -8.353 35.954 1.00 0.00 H new ATOM 0 HB3 ASP A 75 61.387 -9.965 35.505 1.00 0.00 H new TER 1018 ASP A 75