USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 59 HIS :FLIP no HD1:sc= -1.87! C(o=-6.8!,f=-4.3!) USER MOD Set 1.2: A 60 HIS :FLIP no HD1:sc= -2.41 F(o=-6.9!,f=-4.3) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 173:sc= -9.44! (180deg=-9.54!) USER MOD Set 2.2: A 27 SER OG : rot 68:sc= 0.0971 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.0134 (180deg=-0.916) USER MOD Single : A 9 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -8.61! C(o=-8.6!,f=-15!) USER MOD Single : A 17 SER OG : rot -68:sc= 1.05 USER MOD Single : A 19 CYS SG : rot 122:sc= 0.388 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -67:sc= 0.622 USER MOD Single : A 26 SER OG : rot 21:sc= 0.322 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -113:sc= 0 (180deg=-0.0617) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.826 F(o=-1.7!,f=-0.83) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0176 X(o=-0.018,f=-0.078) USER MOD Single : A 62 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -2.29! C(o=-4!,f=-2.3!) USER MOD Single : A 64 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.0066) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 64.312 -17.074 -20.459 1.00 1.00 N ATOM 2 CA MET A 1 63.028 -16.393 -20.129 1.00 1.00 C ATOM 3 C MET A 1 62.040 -16.594 -21.273 1.00 1.00 C ATOM 4 O MET A 1 62.434 -16.880 -22.404 1.00 1.00 O ATOM 5 CB MET A 1 63.286 -14.900 -19.918 1.00 1.00 C ATOM 6 CG MET A 1 64.185 -14.373 -21.039 1.00 1.00 C ATOM 7 SD MET A 1 63.685 -12.688 -21.471 1.00 1.00 S ATOM 8 CE MET A 1 63.439 -12.972 -23.241 1.00 1.00 C ATOM 0 H1 MET A 1 65.103 -16.548 -20.035 1.00 1.00 H new ATOM 0 H2 MET A 1 64.298 -18.043 -20.081 1.00 1.00 H new ATOM 0 H3 MET A 1 64.432 -17.107 -21.492 1.00 1.00 H new ATOM 0 HA MET A 1 62.609 -16.817 -19.216 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.342 -14.355 -19.908 1.00 1.00 H new ATOM 0 HB3 MET A 1 63.759 -14.735 -18.950 1.00 1.00 H new ATOM 0 HG2 MET A 1 65.227 -14.384 -20.720 1.00 1.00 H new ATOM 0 HG3 MET A 1 64.113 -15.021 -21.913 1.00 1.00 H new ATOM 0 HE1 MET A 1 63.121 -12.045 -23.718 1.00 1.00 H new ATOM 0 HE2 MET A 1 64.374 -13.308 -23.689 1.00 1.00 H new ATOM 0 HE3 MET A 1 62.673 -13.735 -23.384 1.00 1.00 H new ATOM 20 N GLU A 2 60.754 -16.444 -20.972 1.00 1.00 N ATOM 21 CA GLU A 2 59.718 -16.612 -21.983 1.00 1.00 C ATOM 22 C GLU A 2 59.224 -15.255 -22.475 1.00 1.00 C ATOM 23 O GLU A 2 58.794 -15.118 -23.620 1.00 1.00 O ATOM 24 CB GLU A 2 58.545 -17.404 -21.403 1.00 1.00 C ATOM 25 CG GLU A 2 59.051 -18.743 -20.861 1.00 1.00 C ATOM 26 CD GLU A 2 57.925 -19.470 -20.134 1.00 1.00 C ATOM 27 OE1 GLU A 2 57.164 -20.156 -20.796 1.00 1.00 O ATOM 28 OE2 GLU A 2 57.840 -19.330 -18.925 1.00 1.00 O ATOM 0 H GLU A 2 60.407 -16.208 -20.042 1.00 1.00 H new ATOM 0 HA GLU A 2 60.144 -17.158 -22.825 1.00 1.00 H new ATOM 0 HB2 GLU A 2 58.067 -16.835 -20.606 1.00 1.00 H new ATOM 0 HB3 GLU A 2 57.791 -17.572 -22.172 1.00 1.00 H new ATOM 0 HG2 GLU A 2 59.424 -19.359 -21.680 1.00 1.00 H new ATOM 0 HG3 GLU A 2 59.887 -18.577 -20.181 1.00 1.00 H new ATOM 35 N GLU A 3 59.290 -14.256 -21.602 1.00 1.00 N ATOM 36 CA GLU A 3 58.846 -12.912 -21.958 1.00 1.00 C ATOM 37 C GLU A 3 59.795 -11.864 -21.384 1.00 1.00 C ATOM 38 O GLU A 3 60.868 -11.616 -21.934 1.00 1.00 O ATOM 39 CB GLU A 3 57.432 -12.671 -21.427 1.00 1.00 C ATOM 40 CG GLU A 3 56.414 -13.309 -22.373 1.00 1.00 C ATOM 41 CD GLU A 3 56.307 -12.489 -23.654 1.00 1.00 C ATOM 42 OE1 GLU A 3 55.547 -11.534 -23.660 1.00 1.00 O ATOM 43 OE2 GLU A 3 56.985 -12.827 -24.609 1.00 1.00 O ATOM 0 H GLU A 3 59.644 -14.349 -20.650 1.00 1.00 H new ATOM 0 HA GLU A 3 58.844 -12.826 -23.045 1.00 1.00 H new ATOM 0 HB2 GLU A 3 57.331 -13.095 -20.428 1.00 1.00 H new ATOM 0 HB3 GLU A 3 57.242 -11.601 -21.340 1.00 1.00 H new ATOM 0 HG2 GLU A 3 56.715 -14.330 -22.609 1.00 1.00 H new ATOM 0 HG3 GLU A 3 55.440 -13.368 -21.887 1.00 1.00 H new ATOM 50 N GLY A 4 59.392 -11.254 -20.273 1.00 1.00 N ATOM 51 CA GLY A 4 60.216 -10.234 -19.634 1.00 1.00 C ATOM 52 C GLY A 4 59.356 -9.088 -19.112 1.00 1.00 C ATOM 53 O GLY A 4 59.243 -8.883 -17.904 1.00 1.00 O ATOM 0 H GLY A 4 58.509 -11.446 -19.801 1.00 1.00 H new ATOM 0 HA2 GLY A 4 60.777 -10.677 -18.811 1.00 1.00 H new ATOM 0 HA3 GLY A 4 60.946 -9.851 -20.347 1.00 1.00 H new ATOM 57 N GLY A 5 58.752 -8.343 -20.033 1.00 1.00 N ATOM 58 CA GLY A 5 57.904 -7.218 -19.654 1.00 1.00 C ATOM 59 C GLY A 5 58.631 -5.894 -19.861 1.00 1.00 C ATOM 60 O GLY A 5 58.344 -5.159 -20.805 1.00 1.00 O ATOM 0 H GLY A 5 58.833 -8.496 -21.038 1.00 1.00 H new ATOM 0 HA2 GLY A 5 56.989 -7.231 -20.246 1.00 1.00 H new ATOM 0 HA3 GLY A 5 57.609 -7.316 -18.609 1.00 1.00 H new ATOM 64 N ASP A 6 59.573 -5.597 -18.971 1.00 1.00 N ATOM 65 CA ASP A 6 60.335 -4.357 -19.067 1.00 1.00 C ATOM 66 C ASP A 6 61.406 -4.470 -20.147 1.00 1.00 C ATOM 67 O ASP A 6 61.332 -3.805 -21.181 1.00 1.00 O ATOM 68 CB ASP A 6 60.994 -4.045 -17.723 1.00 1.00 C ATOM 69 CG ASP A 6 61.392 -5.340 -17.023 1.00 1.00 C ATOM 70 OD1 ASP A 6 60.503 -6.049 -16.582 1.00 1.00 O ATOM 71 OD2 ASP A 6 62.580 -5.603 -16.936 1.00 1.00 O ATOM 0 H ASP A 6 59.825 -6.192 -18.182 1.00 1.00 H new ATOM 0 HA ASP A 6 59.651 -3.551 -19.332 1.00 1.00 H new ATOM 0 HB2 ASP A 6 61.874 -3.420 -17.877 1.00 1.00 H new ATOM 0 HB3 ASP A 6 60.307 -3.479 -17.094 1.00 1.00 H new ATOM 76 N PHE A 7 62.400 -5.315 -19.900 1.00 1.00 N ATOM 77 CA PHE A 7 63.482 -5.509 -20.859 1.00 1.00 C ATOM 78 C PHE A 7 64.391 -4.282 -20.896 1.00 1.00 C ATOM 79 O PHE A 7 64.863 -3.873 -21.957 1.00 1.00 O ATOM 80 CB PHE A 7 62.901 -5.775 -22.251 1.00 1.00 C ATOM 81 CG PHE A 7 63.682 -6.880 -22.925 1.00 1.00 C ATOM 82 CD1 PHE A 7 65.081 -6.864 -22.903 1.00 1.00 C ATOM 83 CD2 PHE A 7 63.004 -7.920 -23.572 1.00 1.00 C ATOM 84 CE1 PHE A 7 65.803 -7.889 -23.527 1.00 1.00 C ATOM 85 CE2 PHE A 7 63.725 -8.945 -24.195 1.00 1.00 C ATOM 86 CZ PHE A 7 65.125 -8.930 -24.173 1.00 1.00 C ATOM 0 H PHE A 7 62.480 -5.873 -19.050 1.00 1.00 H new ATOM 0 HA PHE A 7 64.075 -6.369 -20.548 1.00 1.00 H new ATOM 0 HB2 PHE A 7 61.851 -6.056 -22.170 1.00 1.00 H new ATOM 0 HB3 PHE A 7 62.943 -4.867 -22.853 1.00 1.00 H new ATOM 0 HD1 PHE A 7 65.604 -6.061 -22.405 1.00 1.00 H new ATOM 0 HD2 PHE A 7 61.924 -7.931 -23.590 1.00 1.00 H new ATOM 0 HE1 PHE A 7 66.883 -7.877 -23.510 1.00 1.00 H new ATOM 0 HE2 PHE A 7 63.201 -9.748 -24.693 1.00 1.00 H new ATOM 0 HZ PHE A 7 65.681 -9.721 -24.654 1.00 1.00 H new ATOM 96 N ASP A 8 64.635 -3.701 -19.726 1.00 1.00 N ATOM 97 CA ASP A 8 65.488 -2.525 -19.632 1.00 1.00 C ATOM 98 C ASP A 8 64.967 -1.413 -20.534 1.00 1.00 C ATOM 99 O ASP A 8 65.716 -0.838 -21.324 1.00 1.00 O ATOM 100 CB ASP A 8 66.915 -2.890 -20.036 1.00 1.00 C ATOM 101 CG ASP A 8 67.904 -1.922 -19.396 1.00 1.00 C ATOM 102 OD1 ASP A 8 67.777 -1.675 -18.209 1.00 1.00 O ATOM 103 OD2 ASP A 8 68.774 -1.440 -20.103 1.00 1.00 O ATOM 0 H ASP A 8 64.256 -4.024 -18.836 1.00 1.00 H new ATOM 0 HA ASP A 8 65.481 -2.170 -18.601 1.00 1.00 H new ATOM 0 HB2 ASP A 8 67.140 -3.910 -19.725 1.00 1.00 H new ATOM 0 HB3 ASP A 8 67.014 -2.858 -21.121 1.00 1.00 H new ATOM 108 N ASN A 9 63.676 -1.117 -20.407 1.00 1.00 N ATOM 109 CA ASN A 9 63.050 -0.072 -21.211 1.00 1.00 C ATOM 110 C ASN A 9 62.516 1.039 -20.314 1.00 1.00 C ATOM 111 O ASN A 9 61.366 1.457 -20.446 1.00 1.00 O ATOM 112 CB ASN A 9 61.903 -0.662 -22.033 1.00 1.00 C ATOM 113 CG ASN A 9 61.486 0.319 -23.122 1.00 1.00 C ATOM 114 OD1 ASN A 9 62.182 1.304 -23.372 1.00 1.00 O ATOM 115 ND2 ASN A 9 60.384 0.111 -23.791 1.00 1.00 N ATOM 0 H ASN A 9 63.045 -1.585 -19.757 1.00 1.00 H new ATOM 0 HA ASN A 9 63.800 0.345 -21.883 1.00 1.00 H new ATOM 0 HB2 ASN A 9 62.213 -1.606 -22.481 1.00 1.00 H new ATOM 0 HB3 ASN A 9 61.055 -0.881 -21.385 1.00 1.00 H new ATOM 0 HD21 ASN A 9 60.099 0.764 -24.521 1.00 1.00 H new ATOM 0 HD22 ASN A 9 59.808 -0.705 -23.584 1.00 1.00 H new ATOM 122 N TYR A 10 63.360 1.515 -19.404 1.00 1.00 N ATOM 123 CA TYR A 10 62.963 2.580 -18.493 1.00 1.00 C ATOM 124 C TYR A 10 61.614 2.266 -17.856 1.00 1.00 C ATOM 125 O TYR A 10 60.870 3.171 -17.477 1.00 1.00 O ATOM 126 CB TYR A 10 62.877 3.902 -19.251 1.00 1.00 C ATOM 127 CG TYR A 10 63.199 5.042 -18.314 1.00 1.00 C ATOM 128 CD1 TYR A 10 64.527 5.296 -17.951 1.00 1.00 C ATOM 129 CD2 TYR A 10 62.170 5.845 -17.808 1.00 1.00 C ATOM 130 CE1 TYR A 10 64.825 6.352 -17.082 1.00 1.00 C ATOM 131 CE2 TYR A 10 62.468 6.900 -16.939 1.00 1.00 C ATOM 132 CZ TYR A 10 63.796 7.154 -16.575 1.00 1.00 C ATOM 133 OH TYR A 10 64.089 8.195 -15.719 1.00 1.00 O ATOM 0 H TYR A 10 64.316 1.182 -19.279 1.00 1.00 H new ATOM 0 HA TYR A 10 63.712 2.659 -17.705 1.00 1.00 H new ATOM 0 HB2 TYR A 10 63.573 3.899 -20.089 1.00 1.00 H new ATOM 0 HB3 TYR A 10 61.878 4.030 -19.667 1.00 1.00 H new ATOM 0 HD1 TYR A 10 65.321 4.677 -18.341 1.00 1.00 H new ATOM 0 HD2 TYR A 10 61.146 5.650 -18.089 1.00 1.00 H new ATOM 0 HE1 TYR A 10 65.850 6.548 -16.802 1.00 1.00 H new ATOM 0 HE2 TYR A 10 61.674 7.519 -16.549 1.00 1.00 H new ATOM 0 HH TYR A 10 63.260 8.651 -15.462 1.00 1.00 H new ATOM 143 N TYR A 11 61.303 0.979 -17.741 1.00 1.00 N ATOM 144 CA TYR A 11 60.038 0.559 -17.149 1.00 1.00 C ATOM 145 C TYR A 11 60.244 0.149 -15.691 1.00 1.00 C ATOM 146 O TYR A 11 59.580 -0.750 -15.174 1.00 1.00 O ATOM 147 CB TYR A 11 59.447 -0.598 -17.966 1.00 1.00 C ATOM 148 CG TYR A 11 58.183 -0.134 -18.649 1.00 1.00 C ATOM 149 CD1 TYR A 11 58.216 0.982 -19.493 1.00 1.00 C ATOM 150 CD2 TYR A 11 56.979 -0.818 -18.440 1.00 1.00 C ATOM 151 CE1 TYR A 11 57.046 1.414 -20.130 1.00 1.00 C ATOM 152 CE2 TYR A 11 55.808 -0.386 -19.076 1.00 1.00 C ATOM 153 CZ TYR A 11 55.842 0.730 -19.921 1.00 1.00 C ATOM 154 OH TYR A 11 54.689 1.157 -20.548 1.00 1.00 O ATOM 0 H TYR A 11 61.904 0.214 -18.047 1.00 1.00 H new ATOM 0 HA TYR A 11 59.337 1.393 -17.167 1.00 1.00 H new ATOM 0 HB2 TYR A 11 60.169 -0.941 -18.707 1.00 1.00 H new ATOM 0 HB3 TYR A 11 59.232 -1.445 -17.315 1.00 1.00 H new ATOM 0 HD1 TYR A 11 59.144 1.510 -19.653 1.00 1.00 H new ATOM 0 HD2 TYR A 11 56.953 -1.679 -17.788 1.00 1.00 H new ATOM 0 HE1 TYR A 11 57.072 2.274 -20.782 1.00 1.00 H new ATOM 0 HE2 TYR A 11 54.879 -0.913 -18.915 1.00 1.00 H new ATOM 0 HH TYR A 11 53.944 0.572 -20.296 1.00 1.00 H new ATOM 164 N GLY A 12 61.170 0.831 -15.031 1.00 1.00 N ATOM 165 CA GLY A 12 61.464 0.546 -13.631 1.00 1.00 C ATOM 166 C GLY A 12 61.563 -0.956 -13.390 1.00 1.00 C ATOM 167 O GLY A 12 60.743 -1.535 -12.676 1.00 1.00 O ATOM 0 H GLY A 12 61.728 1.581 -15.438 1.00 1.00 H new ATOM 0 HA2 GLY A 12 62.400 1.026 -13.347 1.00 1.00 H new ATOM 0 HA3 GLY A 12 60.684 0.969 -12.998 1.00 1.00 H new ATOM 171 N ALA A 13 62.569 -1.582 -13.989 1.00 1.00 N ATOM 172 CA ALA A 13 62.764 -3.019 -13.833 1.00 1.00 C ATOM 173 C ALA A 13 63.815 -3.528 -14.815 1.00 1.00 C ATOM 174 O ALA A 13 63.620 -3.476 -16.029 1.00 1.00 O ATOM 175 CB ALA A 13 61.443 -3.755 -14.071 1.00 1.00 C ATOM 0 H ALA A 13 63.258 -1.121 -14.583 1.00 1.00 H new ATOM 0 HA ALA A 13 63.109 -3.211 -12.817 1.00 1.00 H new ATOM 0 HB1 ALA A 13 61.598 -4.827 -13.953 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.701 -3.413 -13.349 1.00 1.00 H new ATOM 0 HB3 ALA A 13 61.088 -3.549 -15.081 1.00 1.00 H new ATOM 181 N ASP A 14 64.927 -4.020 -14.280 1.00 1.00 N ATOM 182 CA ASP A 14 66.004 -4.535 -15.119 1.00 1.00 C ATOM 183 C ASP A 14 67.030 -5.284 -14.275 1.00 1.00 C ATOM 184 O ASP A 14 68.235 -5.090 -14.430 1.00 1.00 O ATOM 185 CB ASP A 14 66.690 -3.383 -15.856 1.00 1.00 C ATOM 186 CG ASP A 14 67.684 -3.933 -16.872 1.00 1.00 C ATOM 187 OD1 ASP A 14 67.331 -4.872 -17.567 1.00 1.00 O ATOM 188 OD2 ASP A 14 68.783 -3.407 -16.941 1.00 1.00 O ATOM 0 H ASP A 14 65.106 -4.073 -13.277 1.00 1.00 H new ATOM 0 HA ASP A 14 65.574 -5.225 -15.845 1.00 1.00 H new ATOM 0 HB2 ASP A 14 65.945 -2.768 -16.360 1.00 1.00 H new ATOM 0 HB3 ASP A 14 67.205 -2.739 -15.143 1.00 1.00 H new ATOM 193 N ASN A 15 66.542 -6.138 -13.381 1.00 1.00 N ATOM 194 CA ASN A 15 67.427 -6.910 -12.517 1.00 1.00 C ATOM 195 C ASN A 15 68.344 -5.984 -11.724 1.00 1.00 C ATOM 196 O ASN A 15 69.242 -6.440 -11.017 1.00 1.00 O ATOM 197 CB ASN A 15 68.270 -7.871 -13.357 1.00 1.00 C ATOM 198 CG ASN A 15 67.366 -8.716 -14.247 1.00 1.00 C ATOM 199 OD1 ASN A 15 66.924 -8.256 -15.300 1.00 1.00 O ATOM 200 ND2 ASN A 15 67.062 -9.933 -13.886 1.00 1.00 N ATOM 0 H ASN A 15 65.547 -6.312 -13.237 1.00 1.00 H new ATOM 0 HA ASN A 15 66.815 -7.481 -11.819 1.00 1.00 H new ATOM 0 HB2 ASN A 15 68.975 -7.309 -13.970 1.00 1.00 H new ATOM 0 HB3 ASN A 15 68.859 -8.517 -12.705 1.00 1.00 H new ATOM 0 HD21 ASN A 15 66.458 -10.504 -14.477 1.00 1.00 H new ATOM 0 HD22 ASN A 15 67.429 -10.313 -13.013 1.00 1.00 H new ATOM 207 N GLN A 16 68.113 -4.681 -11.850 1.00 1.00 N ATOM 208 CA GLN A 16 68.925 -3.699 -11.142 1.00 1.00 C ATOM 209 C GLN A 16 68.914 -3.975 -9.641 1.00 1.00 C ATOM 210 O GLN A 16 69.821 -3.562 -8.918 1.00 1.00 O ATOM 211 CB GLN A 16 68.398 -2.285 -11.416 1.00 1.00 C ATOM 212 CG GLN A 16 67.115 -2.036 -10.614 1.00 1.00 C ATOM 213 CD GLN A 16 66.168 -3.224 -10.751 1.00 1.00 C ATOM 214 OE1 GLN A 16 65.905 -3.684 -11.862 1.00 1.00 O ATOM 215 NE2 GLN A 16 65.639 -3.752 -9.682 1.00 1.00 N ATOM 0 H GLN A 16 67.376 -4.283 -12.432 1.00 1.00 H new ATOM 0 HA GLN A 16 69.951 -3.775 -11.503 1.00 1.00 H new ATOM 0 HB2 GLN A 16 69.154 -1.548 -11.145 1.00 1.00 H new ATOM 0 HB3 GLN A 16 68.200 -2.162 -12.481 1.00 1.00 H new ATOM 0 HG2 GLN A 16 67.359 -1.876 -9.564 1.00 1.00 H new ATOM 0 HG3 GLN A 16 66.626 -1.129 -10.969 1.00 1.00 H new ATOM 0 HE21 GLN A 16 65.858 -3.369 -8.762 1.00 1.00 H new ATOM 0 HE22 GLN A 16 65.006 -4.548 -9.766 1.00 1.00 H new ATOM 224 N SER A 17 67.883 -4.675 -9.180 1.00 1.00 N ATOM 225 CA SER A 17 67.764 -5.002 -7.764 1.00 1.00 C ATOM 226 C SER A 17 66.531 -5.865 -7.514 1.00 1.00 C ATOM 227 O SER A 17 65.918 -5.795 -6.449 1.00 1.00 O ATOM 228 CB SER A 17 67.667 -3.718 -6.937 1.00 1.00 C ATOM 229 OG SER A 17 67.274 -4.043 -5.611 1.00 1.00 O ATOM 0 H SER A 17 67.122 -5.025 -9.762 1.00 1.00 H new ATOM 0 HA SER A 17 68.651 -5.561 -7.464 1.00 1.00 H new ATOM 0 HB2 SER A 17 68.628 -3.204 -6.928 1.00 1.00 H new ATOM 0 HB3 SER A 17 66.945 -3.036 -7.386 1.00 1.00 H new ATOM 0 HG SER A 17 66.351 -4.372 -5.615 1.00 1.00 H new ATOM 235 N GLU A 18 66.174 -6.678 -8.503 1.00 1.00 N ATOM 236 CA GLU A 18 65.012 -7.550 -8.379 1.00 1.00 C ATOM 237 C GLU A 18 65.104 -8.709 -9.368 1.00 1.00 C ATOM 238 O GLU A 18 64.976 -8.516 -10.577 1.00 1.00 O ATOM 239 CB GLU A 18 63.732 -6.755 -8.640 1.00 1.00 C ATOM 240 CG GLU A 18 62.886 -6.715 -7.367 1.00 1.00 C ATOM 241 CD GLU A 18 61.586 -5.963 -7.628 1.00 1.00 C ATOM 242 OE1 GLU A 18 60.637 -6.595 -8.064 1.00 1.00 O ATOM 243 OE2 GLU A 18 61.557 -4.767 -7.387 1.00 1.00 O ATOM 0 H GLU A 18 66.668 -6.751 -9.392 1.00 1.00 H new ATOM 0 HA GLU A 18 64.989 -7.952 -7.366 1.00 1.00 H new ATOM 0 HB2 GLU A 18 63.979 -5.742 -8.957 1.00 1.00 H new ATOM 0 HB3 GLU A 18 63.166 -7.213 -9.451 1.00 1.00 H new ATOM 0 HG2 GLU A 18 62.668 -7.730 -7.033 1.00 1.00 H new ATOM 0 HG3 GLU A 18 63.442 -6.229 -6.566 1.00 1.00 H new ATOM 250 N CYS A 19 65.327 -9.910 -8.846 1.00 1.00 N ATOM 251 CA CYS A 19 65.434 -11.092 -9.693 1.00 1.00 C ATOM 252 C CYS A 19 65.380 -12.362 -8.850 1.00 1.00 C ATOM 253 O CYS A 19 64.390 -13.094 -8.875 1.00 1.00 O ATOM 254 CB CYS A 19 66.745 -11.054 -10.480 1.00 1.00 C ATOM 255 SG CYS A 19 67.965 -10.073 -9.572 1.00 1.00 S ATOM 0 H CYS A 19 65.436 -10.090 -7.848 1.00 1.00 H new ATOM 0 HA CYS A 19 64.594 -11.095 -10.388 1.00 1.00 H new ATOM 0 HB2 CYS A 19 67.118 -12.066 -10.634 1.00 1.00 H new ATOM 0 HB3 CYS A 19 66.577 -10.622 -11.467 1.00 1.00 H new ATOM 0 HG CYS A 19 69.014 -10.801 -9.330 1.00 1.00 H new ATOM 261 N GLU A 20 66.450 -12.618 -8.106 1.00 1.00 N ATOM 262 CA GLU A 20 66.515 -13.804 -7.259 1.00 1.00 C ATOM 263 C GLU A 20 65.805 -13.552 -5.932 1.00 1.00 C ATOM 264 O GLU A 20 66.368 -13.787 -4.863 1.00 1.00 O ATOM 265 CB GLU A 20 67.973 -14.181 -6.997 1.00 1.00 C ATOM 266 CG GLU A 20 68.685 -14.424 -8.329 1.00 1.00 C ATOM 267 CD GLU A 20 69.663 -13.289 -8.613 1.00 1.00 C ATOM 268 OE1 GLU A 20 70.509 -13.038 -7.771 1.00 1.00 O ATOM 269 OE2 GLU A 20 69.551 -12.688 -9.669 1.00 1.00 O ATOM 0 H GLU A 20 67.279 -12.025 -8.072 1.00 1.00 H new ATOM 0 HA GLU A 20 66.017 -14.625 -7.775 1.00 1.00 H new ATOM 0 HB2 GLU A 20 68.472 -13.384 -6.446 1.00 1.00 H new ATOM 0 HB3 GLU A 20 68.022 -15.076 -6.377 1.00 1.00 H new ATOM 0 HG2 GLU A 20 69.218 -15.375 -8.298 1.00 1.00 H new ATOM 0 HG3 GLU A 20 67.954 -14.495 -9.134 1.00 1.00 H new ATOM 276 N TYR A 21 64.567 -13.076 -6.009 1.00 1.00 N ATOM 277 CA TYR A 21 63.790 -12.797 -4.807 1.00 1.00 C ATOM 278 C TYR A 21 62.299 -12.960 -5.084 1.00 1.00 C ATOM 279 O TYR A 21 61.509 -12.048 -4.839 1.00 1.00 O ATOM 280 CB TYR A 21 64.069 -11.373 -4.324 1.00 1.00 C ATOM 281 CG TYR A 21 65.448 -11.309 -3.711 1.00 1.00 C ATOM 282 CD1 TYR A 21 65.647 -11.727 -2.390 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.527 -10.832 -4.465 1.00 1.00 C ATOM 284 CE1 TYR A 21 66.925 -11.667 -1.823 1.00 1.00 C ATOM 285 CE2 TYR A 21 67.806 -10.774 -3.898 1.00 1.00 C ATOM 286 CZ TYR A 21 68.005 -11.191 -2.576 1.00 1.00 C ATOM 287 OH TYR A 21 69.265 -11.133 -2.017 1.00 1.00 O ATOM 0 H TYR A 21 64.083 -12.876 -6.884 1.00 1.00 H new ATOM 0 HA TYR A 21 64.084 -13.506 -4.033 1.00 1.00 H new ATOM 0 HB2 TYR A 21 63.997 -10.674 -5.158 1.00 1.00 H new ATOM 0 HB3 TYR A 21 63.320 -11.073 -3.591 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.815 -12.096 -1.809 1.00 1.00 H new ATOM 0 HD2 TYR A 21 66.373 -10.509 -5.484 1.00 1.00 H new ATOM 0 HE1 TYR A 21 67.078 -11.988 -0.803 1.00 1.00 H new ATOM 0 HE2 TYR A 21 68.639 -10.408 -4.480 1.00 1.00 H new ATOM 0 HH TYR A 21 69.899 -10.780 -2.676 1.00 1.00 H new ATOM 297 N THR A 22 61.922 -14.128 -5.594 1.00 1.00 N ATOM 298 CA THR A 22 60.522 -14.400 -5.900 1.00 1.00 C ATOM 299 C THR A 22 59.997 -13.412 -6.936 1.00 1.00 C ATOM 300 O THR A 22 58.882 -12.904 -6.813 1.00 1.00 O ATOM 301 CB THR A 22 59.680 -14.303 -4.626 1.00 1.00 C ATOM 302 OG1 THR A 22 59.363 -12.941 -4.373 1.00 1.00 O ATOM 303 CG2 THR A 22 60.469 -14.873 -3.446 1.00 1.00 C ATOM 0 H THR A 22 62.560 -14.896 -5.803 1.00 1.00 H new ATOM 0 HA THR A 22 60.449 -15.408 -6.308 1.00 1.00 H new ATOM 0 HB THR A 22 58.760 -14.873 -4.754 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.180 -12.453 -4.140 1.00 1.00 H new ATOM 0 HG21 THR A 22 59.868 -14.803 -2.539 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.712 -15.918 -3.641 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.390 -14.305 -3.316 1.00 1.00 H new ATOM 311 N ASP A 23 60.810 -13.143 -7.955 1.00 1.00 N ATOM 312 CA ASP A 23 60.426 -12.213 -9.012 1.00 1.00 C ATOM 313 C ASP A 23 60.527 -12.883 -10.378 1.00 1.00 C ATOM 314 O ASP A 23 59.928 -12.422 -11.350 1.00 1.00 O ATOM 315 CB ASP A 23 61.334 -10.982 -8.979 1.00 1.00 C ATOM 316 CG ASP A 23 61.345 -10.305 -10.344 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.311 -9.786 -10.735 1.00 1.00 O ATOM 318 OD2 ASP A 23 62.386 -10.312 -10.980 1.00 1.00 O ATOM 0 H ASP A 23 61.736 -13.555 -8.070 1.00 1.00 H new ATOM 0 HA ASP A 23 59.393 -11.908 -8.844 1.00 1.00 H new ATOM 0 HB2 ASP A 23 60.984 -10.282 -8.220 1.00 1.00 H new ATOM 0 HB3 ASP A 23 62.347 -11.274 -8.701 1.00 1.00 H new ATOM 323 N TRP A 24 61.287 -13.972 -10.447 1.00 1.00 N ATOM 324 CA TRP A 24 61.455 -14.692 -11.704 1.00 1.00 C ATOM 325 C TRP A 24 60.097 -15.053 -12.297 1.00 1.00 C ATOM 326 O TRP A 24 60.010 -15.528 -13.430 1.00 1.00 O ATOM 327 CB TRP A 24 62.273 -15.964 -11.476 1.00 1.00 C ATOM 328 CG TRP A 24 61.530 -16.887 -10.564 1.00 1.00 C ATOM 329 CD1 TRP A 24 61.335 -16.680 -9.240 1.00 1.00 C ATOM 330 CD2 TRP A 24 60.884 -18.154 -10.880 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.610 -17.740 -8.725 1.00 1.00 N ATOM 332 CE2 TRP A 24 60.309 -18.674 -9.696 1.00 1.00 C ATOM 333 CE3 TRP A 24 60.743 -18.894 -12.066 1.00 1.00 C ATOM 334 CZ2 TRP A 24 59.617 -19.886 -9.691 1.00 1.00 C ATOM 335 CZ3 TRP A 24 60.047 -20.115 -12.065 1.00 1.00 C ATOM 336 CH2 TRP A 24 59.486 -20.609 -10.879 1.00 1.00 C ATOM 0 H TRP A 24 61.791 -14.372 -9.656 1.00 1.00 H new ATOM 0 HA TRP A 24 61.985 -14.046 -12.404 1.00 1.00 H new ATOM 0 HB2 TRP A 24 62.468 -16.458 -12.428 1.00 1.00 H new ATOM 0 HB3 TRP A 24 63.241 -15.712 -11.043 1.00 1.00 H new ATOM 0 HD1 TRP A 24 61.687 -15.828 -8.678 1.00 1.00 H new ATOM 0 HE1 TRP A 24 60.332 -17.821 -7.747 1.00 1.00 H new ATOM 0 HE3 TRP A 24 61.172 -18.522 -12.985 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 59.186 -20.262 -8.775 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 59.944 -20.675 -12.982 1.00 1.00 H new ATOM 0 HH2 TRP A 24 58.953 -21.548 -10.884 1.00 1.00 H new ATOM 347 N LYS A 25 59.039 -14.822 -11.524 1.00 1.00 N ATOM 348 CA LYS A 25 57.687 -15.122 -11.981 1.00 1.00 C ATOM 349 C LYS A 25 56.740 -13.973 -11.648 1.00 1.00 C ATOM 350 O LYS A 25 55.546 -14.037 -11.940 1.00 1.00 O ATOM 351 CB LYS A 25 57.178 -16.413 -11.329 1.00 1.00 C ATOM 352 CG LYS A 25 57.710 -16.524 -9.896 1.00 1.00 C ATOM 353 CD LYS A 25 57.258 -15.311 -9.081 1.00 1.00 C ATOM 354 CE LYS A 25 57.343 -15.637 -7.590 1.00 1.00 C ATOM 355 NZ LYS A 25 56.943 -14.441 -6.796 1.00 1.00 N ATOM 0 H LYS A 25 59.092 -14.430 -10.584 1.00 1.00 H new ATOM 0 HA LYS A 25 57.716 -15.254 -13.063 1.00 1.00 H new ATOM 0 HB2 LYS A 25 56.088 -16.421 -11.322 1.00 1.00 H new ATOM 0 HB3 LYS A 25 57.500 -17.276 -11.913 1.00 1.00 H new ATOM 0 HG2 LYS A 25 57.346 -17.441 -9.433 1.00 1.00 H new ATOM 0 HG3 LYS A 25 58.798 -16.582 -9.906 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.885 -14.450 -9.312 1.00 1.00 H new ATOM 0 HD3 LYS A 25 56.236 -15.041 -9.347 1.00 1.00 H new ATOM 0 HE2 LYS A 25 56.692 -16.478 -7.353 1.00 1.00 H new ATOM 0 HE3 LYS A 25 58.358 -15.937 -7.330 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 56.886 -14.696 -5.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 57.649 -13.688 -6.923 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 56.014 -14.103 -7.121 1.00 1.00 H new ATOM 369 N SER A 26 57.283 -12.923 -11.038 1.00 1.00 N ATOM 370 CA SER A 26 56.481 -11.762 -10.669 1.00 1.00 C ATOM 371 C SER A 26 55.119 -12.195 -10.132 1.00 1.00 C ATOM 372 O SER A 26 54.082 -11.870 -10.710 1.00 1.00 O ATOM 373 CB SER A 26 56.288 -10.854 -11.882 1.00 1.00 C ATOM 374 OG SER A 26 55.692 -11.599 -12.937 1.00 1.00 O ATOM 0 H SER A 26 58.270 -12.853 -10.790 1.00 1.00 H new ATOM 0 HA SER A 26 57.008 -11.216 -9.887 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.656 -10.006 -11.619 1.00 1.00 H new ATOM 0 HB3 SER A 26 57.247 -10.449 -12.204 1.00 1.00 H new ATOM 0 HG SER A 26 55.250 -12.392 -12.568 1.00 1.00 H new ATOM 380 N SER A 27 55.132 -12.931 -9.025 1.00 1.00 N ATOM 381 CA SER A 27 53.893 -13.404 -8.421 1.00 1.00 C ATOM 382 C SER A 27 54.070 -13.603 -6.920 1.00 1.00 C ATOM 383 O SER A 27 53.389 -14.427 -6.308 1.00 1.00 O ATOM 384 CB SER A 27 53.467 -14.722 -9.066 1.00 1.00 C ATOM 385 OG SER A 27 54.143 -15.797 -8.426 1.00 1.00 O ATOM 0 H SER A 27 55.980 -13.211 -8.532 1.00 1.00 H new ATOM 0 HA SER A 27 53.121 -12.653 -8.587 1.00 1.00 H new ATOM 0 HB2 SER A 27 52.388 -14.851 -8.978 1.00 1.00 H new ATOM 0 HB3 SER A 27 53.701 -14.712 -10.130 1.00 1.00 H new ATOM 0 HG SER A 27 53.813 -15.891 -7.508 1.00 1.00 H new ATOM 391 N GLY A 28 54.989 -12.844 -6.331 1.00 1.00 N ATOM 392 CA GLY A 28 55.247 -12.946 -4.899 1.00 1.00 C ATOM 393 C GLY A 28 55.878 -11.664 -4.367 1.00 1.00 C ATOM 394 O GLY A 28 56.714 -11.700 -3.464 1.00 1.00 O ATOM 0 H GLY A 28 55.563 -12.157 -6.819 1.00 1.00 H new ATOM 0 HA2 GLY A 28 54.314 -13.143 -4.371 1.00 1.00 H new ATOM 0 HA3 GLY A 28 55.909 -13.790 -4.704 1.00 1.00 H new ATOM 398 N ALA A 29 55.472 -10.532 -4.934 1.00 1.00 N ATOM 399 CA ALA A 29 56.004 -9.243 -4.508 1.00 1.00 C ATOM 400 C ALA A 29 54.895 -8.197 -4.457 1.00 1.00 C ATOM 401 O ALA A 29 55.114 -7.071 -4.010 1.00 1.00 O ATOM 402 CB ALA A 29 57.097 -8.785 -5.474 1.00 1.00 C ATOM 0 H ALA A 29 54.782 -10.481 -5.683 1.00 1.00 H new ATOM 0 HA ALA A 29 56.427 -9.357 -3.510 1.00 1.00 H new ATOM 0 HB1 ALA A 29 57.489 -7.821 -5.149 1.00 1.00 H new ATOM 0 HB2 ALA A 29 57.902 -9.519 -5.487 1.00 1.00 H new ATOM 0 HB3 ALA A 29 56.679 -8.687 -6.476 1.00 1.00 H new ATOM 408 N LEU A 30 53.707 -8.580 -4.919 1.00 1.00 N ATOM 409 CA LEU A 30 52.565 -7.672 -4.926 1.00 1.00 C ATOM 410 C LEU A 30 51.491 -8.152 -3.955 1.00 1.00 C ATOM 411 O LEU A 30 50.707 -7.356 -3.438 1.00 1.00 O ATOM 412 CB LEU A 30 51.976 -7.585 -6.336 1.00 1.00 C ATOM 413 CG LEU A 30 53.029 -7.026 -7.294 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.077 -7.884 -8.559 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.664 -5.588 -7.669 1.00 1.00 C ATOM 0 H LEU A 30 53.511 -9.509 -5.292 1.00 1.00 H new ATOM 0 HA LEU A 30 52.908 -6.686 -4.612 1.00 1.00 H new ATOM 0 HB2 LEU A 30 51.653 -8.572 -6.669 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.094 -6.945 -6.334 1.00 1.00 H new ATOM 0 HG LEU A 30 54.005 -7.040 -6.808 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.828 -7.485 -9.241 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.336 -8.909 -8.294 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.101 -7.871 -9.045 1.00 1.00 H new ATOM 0 HD21 LEU A 30 53.414 -5.189 -8.352 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.688 -5.575 -8.154 1.00 1.00 H new ATOM 0 HD23 LEU A 30 52.630 -4.975 -6.769 1.00 1.00 H new ATOM 427 N ILE A 31 51.459 -9.459 -3.712 1.00 1.00 N ATOM 428 CA ILE A 31 50.476 -10.030 -2.800 1.00 1.00 C ATOM 429 C ILE A 31 50.959 -9.978 -1.344 1.00 1.00 C ATOM 430 O ILE A 31 50.150 -9.793 -0.435 1.00 1.00 O ATOM 431 CB ILE A 31 50.159 -11.478 -3.205 1.00 1.00 C ATOM 432 CG1 ILE A 31 49.045 -11.473 -4.254 1.00 1.00 C ATOM 433 CG2 ILE A 31 49.695 -12.278 -1.984 1.00 1.00 C ATOM 434 CD1 ILE A 31 49.456 -10.588 -5.432 1.00 1.00 C ATOM 0 H ILE A 31 52.097 -10.137 -4.130 1.00 1.00 H new ATOM 0 HA ILE A 31 49.568 -9.431 -2.869 1.00 1.00 H new ATOM 0 HB ILE A 31 51.058 -11.939 -3.614 1.00 1.00 H new ATOM 0 HG12 ILE A 31 48.851 -12.489 -4.599 1.00 1.00 H new ATOM 0 HG13 ILE A 31 48.119 -11.104 -3.814 1.00 1.00 H new ATOM 0 HG21 ILE A 31 49.473 -13.302 -2.283 1.00 1.00 H new ATOM 0 HG22 ILE A 31 50.483 -12.282 -1.231 1.00 1.00 H new ATOM 0 HG23 ILE A 31 48.798 -11.819 -1.568 1.00 1.00 H new ATOM 0 HD11 ILE A 31 48.662 -10.585 -6.179 1.00 1.00 H new ATOM 0 HD12 ILE A 31 49.627 -9.571 -5.080 1.00 1.00 H new ATOM 0 HD13 ILE A 31 50.372 -10.977 -5.877 1.00 1.00 H new ATOM 446 N PRO A 32 52.240 -10.135 -1.092 1.00 1.00 N ATOM 447 CA PRO A 32 52.786 -10.101 0.288 1.00 1.00 C ATOM 448 C PRO A 32 53.138 -8.683 0.733 1.00 1.00 C ATOM 449 O PRO A 32 53.994 -8.488 1.596 1.00 1.00 O ATOM 450 CB PRO A 32 54.036 -10.970 0.184 1.00 1.00 C ATOM 451 CG PRO A 32 54.505 -10.836 -1.232 1.00 1.00 C ATOM 452 CD PRO A 32 53.313 -10.360 -2.074 1.00 1.00 C ATOM 0 HA PRO A 32 52.070 -10.454 1.030 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.803 -10.638 0.884 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.812 -12.009 0.426 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.328 -10.124 -1.297 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.879 -11.790 -1.603 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.551 -9.447 -2.619 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.025 -11.107 -2.814 1.00 1.00 H new ATOM 460 N ALA A 33 52.472 -7.699 0.137 1.00 1.00 N ATOM 461 CA ALA A 33 52.719 -6.302 0.477 1.00 1.00 C ATOM 462 C ALA A 33 51.402 -5.556 0.660 1.00 1.00 C ATOM 463 O ALA A 33 51.380 -4.328 0.746 1.00 1.00 O ATOM 464 CB ALA A 33 53.536 -5.634 -0.630 1.00 1.00 C ATOM 0 H ALA A 33 51.761 -7.842 -0.580 1.00 1.00 H new ATOM 0 HA ALA A 33 53.277 -6.267 1.413 1.00 1.00 H new ATOM 0 HB1 ALA A 33 53.717 -4.591 -0.370 1.00 1.00 H new ATOM 0 HB2 ALA A 33 54.489 -6.151 -0.741 1.00 1.00 H new ATOM 0 HB3 ALA A 33 52.985 -5.683 -1.569 1.00 1.00 H new ATOM 470 N ILE A 34 50.308 -6.307 0.716 1.00 1.00 N ATOM 471 CA ILE A 34 48.990 -5.708 0.888 1.00 1.00 C ATOM 472 C ILE A 34 48.058 -6.669 1.616 1.00 1.00 C ATOM 473 O ILE A 34 47.389 -6.294 2.579 1.00 1.00 O ATOM 474 CB ILE A 34 48.397 -5.354 -0.475 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.102 -6.168 -1.561 1.00 1.00 C ATOM 476 CG2 ILE A 34 48.595 -3.862 -0.746 1.00 1.00 C ATOM 477 CD1 ILE A 34 48.392 -5.952 -2.897 1.00 1.00 C ATOM 0 H ILE A 34 50.307 -7.325 0.645 1.00 1.00 H new ATOM 0 HA ILE A 34 49.097 -4.802 1.484 1.00 1.00 H new ATOM 0 HB ILE A 34 47.332 -5.584 -0.480 1.00 1.00 H new ATOM 0 HG12 ILE A 34 50.146 -5.865 -1.638 1.00 1.00 H new ATOM 0 HG13 ILE A 34 49.096 -7.226 -1.300 1.00 1.00 H new ATOM 0 HG21 ILE A 34 48.172 -3.610 -1.718 1.00 1.00 H new ATOM 0 HG22 ILE A 34 48.094 -3.282 0.029 1.00 1.00 H new ATOM 0 HG23 ILE A 34 49.660 -3.630 -0.742 1.00 1.00 H new ATOM 0 HD11 ILE A 34 48.893 -6.531 -3.673 1.00 1.00 H new ATOM 0 HD12 ILE A 34 47.355 -6.276 -2.814 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.422 -4.894 -3.158 1.00 1.00 H new ATOM 489 N TYR A 35 48.021 -7.914 1.149 1.00 1.00 N ATOM 490 CA TYR A 35 47.168 -8.924 1.763 1.00 1.00 C ATOM 491 C TYR A 35 47.741 -9.362 3.106 1.00 1.00 C ATOM 492 O TYR A 35 47.305 -10.361 3.681 1.00 1.00 O ATOM 493 CB TYR A 35 47.046 -10.135 0.836 1.00 1.00 C ATOM 494 CG TYR A 35 46.000 -9.856 -0.216 1.00 1.00 C ATOM 495 CD1 TYR A 35 44.641 -9.978 0.097 1.00 1.00 C ATOM 496 CD2 TYR A 35 46.388 -9.473 -1.506 1.00 1.00 C ATOM 497 CE1 TYR A 35 43.671 -9.717 -0.877 1.00 1.00 C ATOM 498 CE2 TYR A 35 45.419 -9.211 -2.482 1.00 1.00 C ATOM 499 CZ TYR A 35 44.060 -9.334 -2.167 1.00 1.00 C ATOM 500 OH TYR A 35 43.104 -9.077 -3.128 1.00 1.00 O ATOM 0 H TYR A 35 48.567 -8.245 0.354 1.00 1.00 H new ATOM 0 HA TYR A 35 46.181 -8.492 1.927 1.00 1.00 H new ATOM 0 HB2 TYR A 35 48.006 -10.344 0.364 1.00 1.00 H new ATOM 0 HB3 TYR A 35 46.774 -11.021 1.410 1.00 1.00 H new ATOM 0 HD1 TYR A 35 44.341 -10.274 1.091 1.00 1.00 H new ATOM 0 HD2 TYR A 35 47.436 -9.380 -1.748 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.623 -9.811 -0.634 1.00 1.00 H new ATOM 0 HE2 TYR A 35 45.719 -8.915 -3.476 1.00 1.00 H new ATOM 0 HH TYR A 35 43.543 -8.823 -3.966 1.00 1.00 H new ATOM 510 N MET A 36 48.720 -8.608 3.599 1.00 1.00 N ATOM 511 CA MET A 36 49.351 -8.921 4.877 1.00 1.00 C ATOM 512 C MET A 36 49.387 -7.688 5.774 1.00 1.00 C ATOM 513 O MET A 36 49.195 -7.784 6.986 1.00 1.00 O ATOM 514 CB MET A 36 50.778 -9.424 4.646 1.00 1.00 C ATOM 515 CG MET A 36 50.782 -10.445 3.505 1.00 1.00 C ATOM 516 SD MET A 36 49.653 -11.802 3.907 1.00 1.00 S ATOM 517 CE MET A 36 49.611 -12.555 2.263 1.00 1.00 C ATOM 0 H MET A 36 49.092 -7.779 3.135 1.00 1.00 H new ATOM 0 HA MET A 36 48.765 -9.698 5.368 1.00 1.00 H new ATOM 0 HB2 MET A 36 51.434 -8.588 4.403 1.00 1.00 H new ATOM 0 HB3 MET A 36 51.166 -9.880 5.557 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.477 -9.967 2.574 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.790 -10.830 3.350 1.00 1.00 H new ATOM 0 HE1 MET A 36 48.614 -12.443 1.837 1.00 1.00 H new ATOM 0 HE2 MET A 36 50.338 -12.062 1.618 1.00 1.00 H new ATOM 0 HE3 MET A 36 49.855 -13.614 2.342 1.00 1.00 H new ATOM 527 N LEU A 37 49.632 -6.530 5.168 1.00 1.00 N ATOM 528 CA LEU A 37 49.690 -5.283 5.923 1.00 1.00 C ATOM 529 C LEU A 37 48.404 -5.075 6.716 1.00 1.00 C ATOM 530 O LEU A 37 48.301 -4.143 7.514 1.00 1.00 O ATOM 531 CB LEU A 37 49.899 -4.105 4.968 1.00 1.00 C ATOM 532 CG LEU A 37 51.384 -3.982 4.627 1.00 1.00 C ATOM 533 CD1 LEU A 37 51.869 -5.280 3.978 1.00 1.00 C ATOM 534 CD2 LEU A 37 51.588 -2.819 3.653 1.00 1.00 C ATOM 0 H LEU A 37 49.792 -6.429 4.166 1.00 1.00 H new ATOM 0 HA LEU A 37 50.527 -5.340 6.619 1.00 1.00 H new ATOM 0 HB2 LEU A 37 49.317 -4.253 4.058 1.00 1.00 H new ATOM 0 HB3 LEU A 37 49.543 -3.183 5.428 1.00 1.00 H new ATOM 0 HG LEU A 37 51.952 -3.798 5.539 1.00 1.00 H new ATOM 0 HD11 LEU A 37 52.928 -5.192 3.735 1.00 1.00 H new ATOM 0 HD12 LEU A 37 51.723 -6.109 4.670 1.00 1.00 H new ATOM 0 HD13 LEU A 37 51.302 -5.465 3.066 1.00 1.00 H new ATOM 0 HD21 LEU A 37 52.647 -2.730 3.409 1.00 1.00 H new ATOM 0 HD22 LEU A 37 51.020 -3.004 2.741 1.00 1.00 H new ATOM 0 HD23 LEU A 37 51.243 -1.894 4.114 1.00 1.00 H new ATOM 546 N VAL A 38 47.427 -5.949 6.490 1.00 1.00 N ATOM 547 CA VAL A 38 46.150 -5.854 7.189 1.00 1.00 C ATOM 548 C VAL A 38 45.709 -7.225 7.688 1.00 1.00 C ATOM 549 O VAL A 38 45.423 -7.403 8.872 1.00 1.00 O ATOM 550 CB VAL A 38 45.083 -5.283 6.254 1.00 1.00 C ATOM 551 CG1 VAL A 38 44.284 -4.205 6.987 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.758 -4.668 5.024 1.00 1.00 C ATOM 0 H VAL A 38 47.494 -6.726 5.833 1.00 1.00 H new ATOM 0 HA VAL A 38 46.275 -5.191 8.045 1.00 1.00 H new ATOM 0 HB VAL A 38 44.412 -6.082 5.940 1.00 1.00 H new ATOM 0 HG11 VAL A 38 43.524 -3.799 6.320 1.00 1.00 H new ATOM 0 HG12 VAL A 38 43.803 -4.641 7.863 1.00 1.00 H new ATOM 0 HG13 VAL A 38 44.955 -3.406 7.302 1.00 1.00 H new ATOM 0 HG21 VAL A 38 44.998 -4.261 4.357 1.00 1.00 H new ATOM 0 HG22 VAL A 38 46.430 -3.870 5.339 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.327 -5.435 4.500 1.00 1.00 H new ATOM 562 N PHE A 39 45.658 -8.192 6.778 1.00 1.00 N ATOM 563 CA PHE A 39 45.250 -9.545 7.139 1.00 1.00 C ATOM 564 C PHE A 39 46.117 -10.082 8.272 1.00 1.00 C ATOM 565 O PHE A 39 45.723 -11.006 8.984 1.00 1.00 O ATOM 566 CB PHE A 39 45.366 -10.467 5.923 1.00 1.00 C ATOM 567 CG PHE A 39 44.155 -11.366 5.855 1.00 1.00 C ATOM 568 CD1 PHE A 39 42.985 -10.919 5.230 1.00 1.00 C ATOM 569 CD2 PHE A 39 44.204 -12.648 6.416 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.863 -11.753 5.166 1.00 1.00 C ATOM 571 CE2 PHE A 39 43.081 -13.482 6.352 1.00 1.00 C ATOM 572 CZ PHE A 39 41.910 -13.035 5.727 1.00 1.00 C ATOM 0 H PHE A 39 45.892 -8.066 5.793 1.00 1.00 H new ATOM 0 HA PHE A 39 44.213 -9.515 7.474 1.00 1.00 H new ATOM 0 HB2 PHE A 39 45.444 -9.875 5.011 1.00 1.00 H new ATOM 0 HB3 PHE A 39 46.274 -11.066 5.993 1.00 1.00 H new ATOM 0 HD1 PHE A 39 42.948 -9.930 4.797 1.00 1.00 H new ATOM 0 HD2 PHE A 39 45.107 -12.993 6.898 1.00 1.00 H new ATOM 0 HE1 PHE A 39 40.961 -11.408 4.684 1.00 1.00 H new ATOM 0 HE2 PHE A 39 43.118 -14.471 6.785 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.044 -13.679 5.678 1.00 1.00 H new ATOM 582 N LEU A 40 47.300 -9.497 8.433 1.00 1.00 N ATOM 583 CA LEU A 40 48.217 -9.925 9.484 1.00 1.00 C ATOM 584 C LEU A 40 48.838 -8.717 10.178 1.00 1.00 C ATOM 585 O LEU A 40 50.060 -8.601 10.266 1.00 1.00 O ATOM 586 CB LEU A 40 49.323 -10.798 8.888 1.00 1.00 C ATOM 587 CG LEU A 40 48.777 -12.202 8.622 1.00 1.00 C ATOM 588 CD1 LEU A 40 49.495 -12.809 7.414 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.017 -13.083 9.851 1.00 1.00 C ATOM 0 H LEU A 40 47.644 -8.731 7.854 1.00 1.00 H new ATOM 0 HA LEU A 40 47.655 -10.502 10.218 1.00 1.00 H new ATOM 0 HB2 LEU A 40 49.689 -10.357 7.961 1.00 1.00 H new ATOM 0 HB3 LEU A 40 50.169 -10.849 9.573 1.00 1.00 H new ATOM 0 HG LEU A 40 47.708 -12.143 8.418 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.106 -13.809 7.224 1.00 1.00 H new ATOM 0 HD12 LEU A 40 49.327 -12.182 6.538 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.564 -12.868 7.618 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.628 -14.084 9.663 1.00 1.00 H new ATOM 0 HD22 LEU A 40 50.086 -13.141 10.054 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.507 -12.652 10.713 1.00 1.00 H new ATOM 601 N LEU A 41 47.986 -7.821 10.669 1.00 1.00 N ATOM 602 CA LEU A 41 48.460 -6.624 11.355 1.00 1.00 C ATOM 603 C LEU A 41 47.662 -6.395 12.635 1.00 1.00 C ATOM 604 O LEU A 41 48.232 -6.130 13.694 1.00 1.00 O ATOM 605 CB LEU A 41 48.315 -5.405 10.436 1.00 1.00 C ATOM 606 CG LEU A 41 49.626 -4.609 10.391 1.00 1.00 C ATOM 607 CD1 LEU A 41 50.052 -4.227 11.810 1.00 1.00 C ATOM 608 CD2 LEU A 41 50.723 -5.456 9.737 1.00 1.00 C ATOM 0 H LEU A 41 46.971 -7.900 10.605 1.00 1.00 H new ATOM 0 HA LEU A 41 49.510 -6.763 11.612 1.00 1.00 H new ATOM 0 HB2 LEU A 41 48.045 -5.729 9.431 1.00 1.00 H new ATOM 0 HB3 LEU A 41 47.507 -4.767 10.793 1.00 1.00 H new ATOM 0 HG LEU A 41 49.472 -3.702 9.806 1.00 1.00 H new ATOM 0 HD11 LEU A 41 50.983 -3.662 11.771 1.00 1.00 H new ATOM 0 HD12 LEU A 41 49.276 -3.616 12.271 1.00 1.00 H new ATOM 0 HD13 LEU A 41 50.200 -5.131 12.401 1.00 1.00 H new ATOM 0 HD21 LEU A 41 51.652 -4.887 9.707 1.00 1.00 H new ATOM 0 HD22 LEU A 41 50.874 -6.367 10.317 1.00 1.00 H new ATOM 0 HD23 LEU A 41 50.424 -5.717 8.722 1.00 1.00 H new ATOM 620 N GLY A 42 46.341 -6.499 12.530 1.00 1.00 N ATOM 621 CA GLY A 42 45.475 -6.300 13.686 1.00 1.00 C ATOM 622 C GLY A 42 45.094 -7.634 14.317 1.00 1.00 C ATOM 623 O GLY A 42 43.983 -7.799 14.821 1.00 1.00 O ATOM 0 H GLY A 42 45.850 -6.718 11.663 1.00 1.00 H new ATOM 0 HA2 GLY A 42 45.982 -5.677 14.422 1.00 1.00 H new ATOM 0 HA3 GLY A 42 44.574 -5.766 13.383 1.00 1.00 H new ATOM 627 N THR A 43 46.022 -8.585 14.286 1.00 1.00 N ATOM 628 CA THR A 43 45.771 -9.902 14.860 1.00 1.00 C ATOM 629 C THR A 43 47.070 -10.694 14.970 1.00 1.00 C ATOM 630 O THR A 43 47.233 -11.516 15.872 1.00 1.00 O ATOM 631 CB THR A 43 44.776 -10.672 13.987 1.00 1.00 C ATOM 632 OG1 THR A 43 44.192 -11.719 14.749 1.00 1.00 O ATOM 633 CG2 THR A 43 45.502 -11.260 12.778 1.00 1.00 C ATOM 0 H THR A 43 46.948 -8.470 13.873 1.00 1.00 H new ATOM 0 HA THR A 43 45.353 -9.769 15.858 1.00 1.00 H new ATOM 0 HB THR A 43 43.995 -9.995 13.642 1.00 1.00 H new ATOM 0 HG1 THR A 43 43.554 -12.212 14.192 1.00 1.00 H new ATOM 0 HG21 THR A 43 44.792 -11.808 12.158 1.00 1.00 H new ATOM 0 HG22 THR A 43 45.948 -10.455 12.194 1.00 1.00 H new ATOM 0 HG23 THR A 43 46.285 -11.938 13.118 1.00 1.00 H new ATOM 641 N THR A 44 47.992 -10.438 14.048 1.00 1.00 N ATOM 642 CA THR A 44 49.275 -11.132 14.050 1.00 1.00 C ATOM 643 C THR A 44 49.817 -11.250 15.472 1.00 1.00 C ATOM 644 O THR A 44 50.635 -12.123 15.764 1.00 1.00 O ATOM 645 CB THR A 44 50.280 -10.373 13.180 1.00 1.00 C ATOM 646 OG1 THR A 44 51.599 -10.769 13.529 1.00 1.00 O ATOM 647 CG2 THR A 44 50.120 -8.868 13.404 1.00 1.00 C ATOM 0 H THR A 44 47.877 -9.760 13.295 1.00 1.00 H new ATOM 0 HA THR A 44 49.127 -12.133 13.645 1.00 1.00 H new ATOM 0 HB THR A 44 50.097 -10.602 12.130 1.00 1.00 H new ATOM 0 HG1 THR A 44 52.244 -10.285 12.972 1.00 1.00 H new ATOM 0 HG21 THR A 44 50.837 -8.330 12.784 1.00 1.00 H new ATOM 0 HG22 THR A 44 49.108 -8.566 13.135 1.00 1.00 H new ATOM 0 HG23 THR A 44 50.301 -8.635 14.453 1.00 1.00 H new ATOM 655 N GLY A 45 49.355 -10.366 16.351 1.00 1.00 N ATOM 656 CA GLY A 45 49.801 -10.382 17.740 1.00 1.00 C ATOM 657 C GLY A 45 49.658 -9.003 18.374 1.00 1.00 C ATOM 658 O GLY A 45 49.973 -8.814 19.548 1.00 1.00 O ATOM 0 H GLY A 45 48.678 -9.636 16.129 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.217 -11.109 18.305 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.842 -10.703 17.788 1.00 1.00 H new ATOM 662 N ASN A 46 49.180 -8.042 17.589 1.00 1.00 N ATOM 663 CA ASN A 46 49.000 -6.683 18.085 1.00 1.00 C ATOM 664 C ASN A 46 47.898 -6.640 19.139 1.00 1.00 C ATOM 665 O ASN A 46 47.604 -5.585 19.700 1.00 1.00 O ATOM 666 CB ASN A 46 48.638 -5.749 16.929 1.00 1.00 C ATOM 667 CG ASN A 46 47.204 -5.256 17.085 1.00 1.00 C ATOM 668 OD1 ASN A 46 46.224 -6.117 17.074 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 46.971 -4.055 17.220 1.00 1.00 N flip ATOM 0 H ASN A 46 48.912 -8.178 16.614 1.00 1.00 H new ATOM 0 HA ASN A 46 49.935 -6.355 18.538 1.00 1.00 H new ATOM 0 HB2 ASN A 46 49.322 -4.901 16.908 1.00 1.00 H new ATOM 0 HB3 ASN A 46 48.750 -6.272 15.979 1.00 1.00 H new ATOM 0 HD21 ASN A 46 47.739 -3.384 17.228 1.00 1.00 H new ATOM 0 HD22 ASN A 46 46.010 -3.731 17.324 1.00 1.00 H new ATOM 676 N GLY A 47 47.294 -7.793 19.403 1.00 1.00 N ATOM 677 CA GLY A 47 46.226 -7.875 20.393 1.00 1.00 C ATOM 678 C GLY A 47 46.788 -8.181 21.777 1.00 1.00 C ATOM 679 O GLY A 47 46.126 -7.956 22.790 1.00 1.00 O ATOM 0 H GLY A 47 47.523 -8.678 18.950 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.676 -6.934 20.419 1.00 1.00 H new ATOM 0 HA3 GLY A 47 45.516 -8.651 20.105 1.00 1.00 H new ATOM 683 N LEU A 48 48.012 -8.696 21.812 1.00 1.00 N ATOM 684 CA LEU A 48 48.654 -9.031 23.079 1.00 1.00 C ATOM 685 C LEU A 48 50.126 -8.632 23.055 1.00 1.00 C ATOM 686 O LEU A 48 50.941 -9.184 23.794 1.00 1.00 O ATOM 687 CB LEU A 48 48.534 -10.532 23.344 1.00 1.00 C ATOM 688 CG LEU A 48 48.765 -11.302 22.043 1.00 1.00 C ATOM 689 CD1 LEU A 48 49.518 -12.598 22.342 1.00 1.00 C ATOM 690 CD2 LEU A 48 47.416 -11.634 21.402 1.00 1.00 C ATOM 0 H LEU A 48 48.576 -8.890 20.985 1.00 1.00 H new ATOM 0 HA LEU A 48 48.153 -8.481 23.876 1.00 1.00 H new ATOM 0 HB2 LEU A 48 49.263 -10.839 24.094 1.00 1.00 H new ATOM 0 HB3 LEU A 48 47.547 -10.763 23.745 1.00 1.00 H new ATOM 0 HG LEU A 48 49.354 -10.690 21.359 1.00 1.00 H new ATOM 0 HD11 LEU A 48 49.682 -13.146 21.414 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.479 -12.363 22.799 1.00 1.00 H new ATOM 0 HD13 LEU A 48 48.931 -13.211 23.026 1.00 1.00 H new ATOM 0 HD21 LEU A 48 47.579 -12.183 20.475 1.00 1.00 H new ATOM 0 HD22 LEU A 48 46.828 -12.245 22.087 1.00 1.00 H new ATOM 0 HD23 LEU A 48 46.878 -10.711 21.187 1.00 1.00 H new ATOM 702 N VAL A 49 50.460 -7.670 22.201 1.00 1.00 N ATOM 703 CA VAL A 49 51.837 -7.204 22.090 1.00 1.00 C ATOM 704 C VAL A 49 51.882 -5.684 21.978 1.00 1.00 C ATOM 705 O VAL A 49 52.765 -5.037 22.541 1.00 1.00 O ATOM 706 CB VAL A 49 52.501 -7.827 20.860 1.00 1.00 C ATOM 707 CG1 VAL A 49 53.926 -7.289 20.721 1.00 1.00 C ATOM 708 CG2 VAL A 49 52.545 -9.348 21.022 1.00 1.00 C ATOM 0 H VAL A 49 49.801 -7.201 21.580 1.00 1.00 H new ATOM 0 HA VAL A 49 52.376 -7.507 22.988 1.00 1.00 H new ATOM 0 HB VAL A 49 51.928 -7.571 19.969 1.00 1.00 H new ATOM 0 HG11 VAL A 49 54.399 -7.733 19.845 1.00 1.00 H new ATOM 0 HG12 VAL A 49 53.896 -6.205 20.607 1.00 1.00 H new ATOM 0 HG13 VAL A 49 54.500 -7.545 21.612 1.00 1.00 H new ATOM 0 HG21 VAL A 49 53.018 -9.794 20.147 1.00 1.00 H new ATOM 0 HG22 VAL A 49 53.119 -9.603 21.913 1.00 1.00 H new ATOM 0 HG23 VAL A 49 51.530 -9.733 21.122 1.00 1.00 H new ATOM 718 N LEU A 50 50.923 -5.120 21.250 1.00 1.00 N ATOM 719 CA LEU A 50 50.863 -3.674 21.072 1.00 1.00 C ATOM 720 C LEU A 50 49.807 -3.064 21.990 1.00 1.00 C ATOM 721 O LEU A 50 50.089 -2.134 22.744 1.00 1.00 O ATOM 722 CB LEU A 50 50.531 -3.340 19.617 1.00 1.00 C ATOM 723 CG LEU A 50 50.448 -1.822 19.448 1.00 1.00 C ATOM 724 CD1 LEU A 50 51.254 -1.400 18.218 1.00 1.00 C ATOM 725 CD2 LEU A 50 48.986 -1.410 19.263 1.00 1.00 C ATOM 0 H LEU A 50 50.182 -5.638 20.777 1.00 1.00 H new ATOM 0 HA LEU A 50 51.836 -3.255 21.328 1.00 1.00 H new ATOM 0 HB2 LEU A 50 51.295 -3.749 18.956 1.00 1.00 H new ATOM 0 HB3 LEU A 50 49.584 -3.800 19.334 1.00 1.00 H new ATOM 0 HG LEU A 50 50.855 -1.335 20.334 1.00 1.00 H new ATOM 0 HD11 LEU A 50 51.195 -0.318 18.098 1.00 1.00 H new ATOM 0 HD12 LEU A 50 52.296 -1.694 18.347 1.00 1.00 H new ATOM 0 HD13 LEU A 50 50.847 -1.886 17.332 1.00 1.00 H new ATOM 0 HD21 LEU A 50 48.925 -0.328 19.142 1.00 1.00 H new ATOM 0 HD22 LEU A 50 48.580 -1.897 18.377 1.00 1.00 H new ATOM 0 HD23 LEU A 50 48.410 -1.710 20.138 1.00 1.00 H new ATOM 737 N TRP A 51 48.592 -3.597 21.920 1.00 1.00 N ATOM 738 CA TRP A 51 47.501 -3.098 22.749 1.00 1.00 C ATOM 739 C TRP A 51 47.964 -2.913 24.191 1.00 1.00 C ATOM 740 O TRP A 51 47.317 -2.224 24.978 1.00 1.00 O ATOM 741 CB TRP A 51 46.325 -4.075 22.710 1.00 1.00 C ATOM 742 CG TRP A 51 45.922 -4.426 24.106 1.00 1.00 C ATOM 743 CD1 TRP A 51 46.287 -5.551 24.762 1.00 1.00 C ATOM 744 CD2 TRP A 51 45.084 -3.669 25.028 1.00 1.00 C ATOM 745 NE1 TRP A 51 45.728 -5.534 26.027 1.00 1.00 N ATOM 746 CE2 TRP A 51 44.977 -4.394 26.239 1.00 1.00 C ATOM 747 CE3 TRP A 51 44.413 -2.437 24.932 1.00 1.00 C ATOM 748 CZ2 TRP A 51 44.232 -3.913 27.316 1.00 1.00 C ATOM 749 CZ3 TRP A 51 43.662 -1.950 26.014 1.00 1.00 C ATOM 750 CH2 TRP A 51 43.572 -2.687 27.204 1.00 1.00 C ATOM 0 H TRP A 51 48.339 -4.369 21.303 1.00 1.00 H new ATOM 0 HA TRP A 51 47.184 -2.133 22.355 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.485 -3.628 22.179 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.605 -4.976 22.164 1.00 1.00 H new ATOM 0 HD1 TRP A 51 46.913 -6.335 24.363 1.00 1.00 H new ATOM 0 HE1 TRP A 51 45.855 -6.273 26.719 1.00 1.00 H new ATOM 0 HE3 TRP A 51 44.476 -1.862 24.020 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 44.166 -4.485 28.230 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 43.151 -1.002 25.929 1.00 1.00 H new ATOM 0 HH2 TRP A 51 42.993 -2.307 28.033 1.00 1.00 H new ATOM 761 N THR A 52 49.091 -3.533 24.528 1.00 1.00 N ATOM 762 CA THR A 52 49.632 -3.431 25.879 1.00 1.00 C ATOM 763 C THR A 52 49.984 -1.983 26.206 1.00 1.00 C ATOM 764 O THR A 52 49.824 -1.537 27.342 1.00 1.00 O ATOM 765 CB THR A 52 50.882 -4.303 26.008 1.00 1.00 C ATOM 766 OG1 THR A 52 51.404 -4.188 27.325 1.00 1.00 O ATOM 767 CG2 THR A 52 51.935 -3.844 24.999 1.00 1.00 C ATOM 0 H THR A 52 49.643 -4.107 23.890 1.00 1.00 H new ATOM 0 HA THR A 52 48.874 -3.777 26.581 1.00 1.00 H new ATOM 0 HB THR A 52 50.621 -5.342 25.809 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.204 -4.747 27.410 1.00 1.00 H new ATOM 0 HG21 THR A 52 52.825 -4.467 25.093 1.00 1.00 H new ATOM 0 HG22 THR A 52 51.535 -3.933 23.989 1.00 1.00 H new ATOM 0 HG23 THR A 52 52.198 -2.804 25.195 1.00 1.00 H new ATOM 775 N VAL A 53 50.463 -1.254 25.203 1.00 1.00 N ATOM 776 CA VAL A 53 50.834 0.144 25.395 1.00 1.00 C ATOM 777 C VAL A 53 49.697 0.914 26.059 1.00 1.00 C ATOM 778 O VAL A 53 49.932 1.850 26.823 1.00 1.00 O ATOM 779 CB VAL A 53 51.166 0.784 24.047 1.00 1.00 C ATOM 780 CG1 VAL A 53 51.756 2.177 24.275 1.00 1.00 C ATOM 781 CG2 VAL A 53 52.187 -0.084 23.308 1.00 1.00 C ATOM 0 H VAL A 53 50.603 -1.605 24.255 1.00 1.00 H new ATOM 0 HA VAL A 53 51.710 0.183 26.042 1.00 1.00 H new ATOM 0 HB VAL A 53 50.257 0.866 23.451 1.00 1.00 H new ATOM 0 HG11 VAL A 53 51.993 2.634 23.314 1.00 1.00 H new ATOM 0 HG12 VAL A 53 51.031 2.797 24.803 1.00 1.00 H new ATOM 0 HG13 VAL A 53 52.665 2.094 24.871 1.00 1.00 H new ATOM 0 HG21 VAL A 53 52.424 0.372 22.347 1.00 1.00 H new ATOM 0 HG22 VAL A 53 53.095 -0.165 23.905 1.00 1.00 H new ATOM 0 HG23 VAL A 53 51.770 -1.078 23.145 1.00 1.00 H new ATOM 791 N PHE A 54 48.466 0.514 25.761 1.00 1.00 N ATOM 792 CA PHE A 54 47.299 1.176 26.333 1.00 1.00 C ATOM 793 C PHE A 54 46.931 0.550 27.675 1.00 1.00 C ATOM 794 O PHE A 54 45.830 0.756 28.187 1.00 1.00 O ATOM 795 CB PHE A 54 46.114 1.063 25.371 1.00 1.00 C ATOM 796 CG PHE A 54 45.836 2.413 24.755 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.702 2.930 23.784 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.713 3.148 25.154 1.00 1.00 C ATOM 799 CE1 PHE A 54 46.444 4.182 23.211 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.456 4.400 24.582 1.00 1.00 C ATOM 801 CZ PHE A 54 45.322 4.916 23.611 1.00 1.00 C ATOM 0 H PHE A 54 48.251 -0.259 25.132 1.00 1.00 H new ATOM 0 HA PHE A 54 47.540 2.227 26.491 1.00 1.00 H new ATOM 0 HB2 PHE A 54 46.333 0.334 24.591 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.232 0.706 25.903 1.00 1.00 H new ATOM 0 HD1 PHE A 54 47.569 2.364 23.477 1.00 1.00 H new ATOM 0 HD2 PHE A 54 44.045 2.749 25.903 1.00 1.00 H new ATOM 0 HE1 PHE A 54 47.111 4.581 22.461 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.590 4.967 24.890 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.124 5.882 23.170 1.00 1.00 H new ATOM 811 N ARG A 55 47.861 -0.214 28.242 1.00 1.00 N ATOM 812 CA ARG A 55 47.626 -0.866 29.525 1.00 1.00 C ATOM 813 C ARG A 55 48.841 -0.715 30.436 1.00 1.00 C ATOM 814 O ARG A 55 48.702 -0.564 31.649 1.00 1.00 O ATOM 815 CB ARG A 55 47.329 -2.351 29.310 1.00 1.00 C ATOM 816 CG ARG A 55 47.225 -3.051 30.664 1.00 1.00 C ATOM 817 CD ARG A 55 46.269 -4.240 30.560 1.00 1.00 C ATOM 818 NE ARG A 55 46.096 -4.855 31.866 1.00 1.00 N ATOM 819 CZ ARG A 55 46.928 -5.790 32.310 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.935 -6.171 31.571 1.00 1.00 N ATOM 821 NH2 ARG A 55 46.742 -6.327 33.484 1.00 1.00 N ATOM 0 H ARG A 55 48.779 -0.396 27.835 1.00 1.00 H new ATOM 0 HA ARG A 55 46.769 -0.389 30.001 1.00 1.00 H new ATOM 0 HB2 ARG A 55 46.399 -2.470 28.755 1.00 1.00 H new ATOM 0 HB3 ARG A 55 48.118 -2.808 28.712 1.00 1.00 H new ATOM 0 HG2 ARG A 55 48.210 -3.391 30.984 1.00 1.00 H new ATOM 0 HG3 ARG A 55 46.868 -2.351 31.419 1.00 1.00 H new ATOM 0 HD2 ARG A 55 45.305 -3.909 30.174 1.00 1.00 H new ATOM 0 HD3 ARG A 55 46.661 -4.972 29.853 1.00 1.00 H new ATOM 0 HE ARG A 55 45.317 -4.561 32.455 1.00 1.00 H new ATOM 0 HH11 ARG A 55 48.082 -5.750 30.653 1.00 1.00 H new ATOM 0 HH12 ARG A 55 48.574 -6.889 31.911 1.00 1.00 H new ATOM 0 HH21 ARG A 55 45.957 -6.029 34.063 1.00 1.00 H new ATOM 0 HH22 ARG A 55 47.382 -7.045 33.824 1.00 1.00 H new ATOM 835 N LYS A 56 50.029 -0.756 29.842 1.00 1.00 N ATOM 836 CA LYS A 56 51.260 -0.621 30.611 1.00 1.00 C ATOM 837 C LYS A 56 51.206 0.620 31.497 1.00 1.00 C ATOM 838 O LYS A 56 51.608 0.582 32.659 1.00 1.00 O ATOM 839 CB LYS A 56 52.459 -0.524 29.665 1.00 1.00 C ATOM 840 CG LYS A 56 52.445 -1.712 28.701 1.00 1.00 C ATOM 841 CD LYS A 56 53.845 -2.325 28.626 1.00 1.00 C ATOM 842 CE LYS A 56 54.843 -1.262 28.162 1.00 1.00 C ATOM 843 NZ LYS A 56 55.836 -1.882 27.239 1.00 1.00 N ATOM 0 H LYS A 56 50.165 -0.881 28.839 1.00 1.00 H new ATOM 0 HA LYS A 56 51.368 -1.501 31.245 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.421 0.411 29.107 1.00 1.00 H new ATOM 0 HB3 LYS A 56 53.387 -0.517 30.236 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.727 -2.459 29.038 1.00 1.00 H new ATOM 0 HG3 LYS A 56 52.125 -1.387 27.711 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.137 -2.712 29.602 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.848 -3.168 27.935 1.00 1.00 H new ATOM 0 HE2 LYS A 56 54.318 -0.451 27.657 1.00 1.00 H new ATOM 0 HE3 LYS A 56 55.352 -0.826 29.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 56.515 -1.160 26.923 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 56.344 -2.641 27.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 55.343 -2.278 26.413 1.00 1.00 H new ATOM 857 N LYS A 57 50.706 1.718 30.939 1.00 1.00 N ATOM 858 CA LYS A 57 50.605 2.965 31.689 1.00 1.00 C ATOM 859 C LYS A 57 49.839 2.746 32.989 1.00 1.00 C ATOM 860 O LYS A 57 49.813 3.617 33.859 1.00 1.00 O ATOM 861 CB LYS A 57 49.891 4.024 30.845 1.00 1.00 C ATOM 862 CG LYS A 57 50.513 4.069 29.448 1.00 1.00 C ATOM 863 CD LYS A 57 49.928 5.248 28.668 1.00 1.00 C ATOM 864 CE LYS A 57 50.612 5.347 27.303 1.00 1.00 C ATOM 865 NZ LYS A 57 50.118 6.556 26.585 1.00 1.00 N ATOM 0 H LYS A 57 50.367 1.770 29.978 1.00 1.00 H new ATOM 0 HA LYS A 57 51.612 3.308 31.927 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.828 3.792 30.774 1.00 1.00 H new ATOM 0 HB3 LYS A 57 49.973 5.000 31.323 1.00 1.00 H new ATOM 0 HG2 LYS A 57 51.596 4.170 29.523 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.316 3.136 28.920 1.00 1.00 H new ATOM 0 HD2 LYS A 57 48.854 5.115 28.539 1.00 1.00 H new ATOM 0 HD3 LYS A 57 50.071 6.173 29.226 1.00 1.00 H new ATOM 0 HE2 LYS A 57 51.693 5.403 27.430 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.406 4.452 26.715 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 50.583 6.623 25.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 49.089 6.485 26.452 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 50.337 7.405 27.144 1.00 1.00 H new ATOM 879 N GLY A 58 49.218 1.579 33.114 1.00 1.00 N ATOM 880 CA GLY A 58 48.453 1.255 34.313 1.00 1.00 C ATOM 881 C GLY A 58 48.003 -0.200 34.295 1.00 1.00 C ATOM 882 O GLY A 58 47.168 -0.593 33.480 1.00 1.00 O ATOM 0 H GLY A 58 49.228 0.845 32.405 1.00 1.00 H new ATOM 0 HA2 GLY A 58 49.061 1.441 35.198 1.00 1.00 H new ATOM 0 HA3 GLY A 58 47.583 1.908 34.381 1.00 1.00 H new ATOM 886 N HIS A 59 48.561 -0.998 35.200 1.00 1.00 N ATOM 887 CA HIS A 59 48.211 -2.410 35.279 1.00 1.00 C ATOM 888 C HIS A 59 48.840 -3.052 36.512 1.00 1.00 C ATOM 889 O HIS A 59 48.204 -3.847 37.204 1.00 1.00 O ATOM 890 CB HIS A 59 48.689 -3.139 34.022 1.00 1.00 C ATOM 891 CG HIS A 59 50.184 -3.295 34.070 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.197 -2.380 34.224 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 50.803 -4.528 33.952 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 52.425 -3.034 34.202 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 52.131 -4.327 34.036 1.00 1.00 N flip ATOM 0 H HIS A 59 49.253 -0.693 35.884 1.00 1.00 H new ATOM 0 HA HIS A 59 47.127 -2.491 35.355 1.00 1.00 H new ATOM 0 HB2 HIS A 59 48.213 -4.117 33.953 1.00 1.00 H new ATOM 0 HB3 HIS A 59 48.400 -2.580 33.132 1.00 1.00 H new ATOM 0 HD2 HIS A 59 50.309 -5.479 33.817 1.00 1.00 H new ATOM 0 HE1 HIS A 59 53.405 -2.592 34.298 1.00 1.00 H new ATOM 0 HE2 HIS A 59 52.827 -5.070 33.980 1.00 1.00 H new ATOM 903 N HIS A 60 50.093 -2.700 36.780 1.00 1.00 N ATOM 904 CA HIS A 60 50.799 -3.247 37.933 1.00 1.00 C ATOM 905 C HIS A 60 51.939 -2.323 38.353 1.00 1.00 C ATOM 906 O HIS A 60 53.048 -2.778 38.631 1.00 1.00 O ATOM 907 CB HIS A 60 51.360 -4.629 37.593 1.00 1.00 C ATOM 908 CG HIS A 60 50.241 -5.635 37.582 1.00 1.00 C ATOM 909 ND1 HIS A 60 49.443 -6.108 36.570 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 49.825 -6.291 38.730 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 48.545 -7.042 37.080 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 48.818 -7.114 38.385 1.00 1.00 N flip ATOM 0 H HIS A 60 50.637 -2.044 36.220 1.00 1.00 H new ATOM 0 HA HIS A 60 50.094 -3.333 38.760 1.00 1.00 H new ATOM 0 HB2 HIS A 60 51.851 -4.605 36.620 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.115 -4.917 38.324 1.00 1.00 H new ATOM 0 HD2 HIS A 60 50.235 -6.165 39.721 1.00 1.00 H new ATOM 0 HE1 HIS A 60 47.790 -7.590 36.537 1.00 1.00 H new ATOM 0 HE2 HIS A 60 48.323 -7.719 39.040 1.00 1.00 H new ATOM 920 N HIS A 61 51.655 -1.025 38.395 1.00 1.00 N ATOM 921 CA HIS A 61 52.665 -0.046 38.783 1.00 1.00 C ATOM 922 C HIS A 61 54.007 -0.376 38.138 1.00 1.00 C ATOM 923 O HIS A 61 54.909 -0.899 38.792 1.00 1.00 O ATOM 924 CB HIS A 61 52.818 -0.028 40.304 1.00 1.00 C ATOM 925 CG HIS A 61 53.716 1.109 40.706 1.00 1.00 C ATOM 926 ND1 HIS A 61 54.987 0.903 41.219 1.00 1.00 N ATOM 927 CD2 HIS A 61 53.541 2.471 40.675 1.00 1.00 C ATOM 928 CE1 HIS A 61 55.523 2.110 41.474 1.00 1.00 C ATOM 929 NE2 HIS A 61 54.683 3.100 41.161 1.00 1.00 N ATOM 0 H HIS A 61 50.743 -0.629 38.168 1.00 1.00 H new ATOM 0 HA HIS A 61 52.342 0.937 38.439 1.00 1.00 H new ATOM 0 HB2 HIS A 61 51.842 0.081 40.777 1.00 1.00 H new ATOM 0 HB3 HIS A 61 53.235 -0.974 40.649 1.00 1.00 H new ATOM 0 HD2 HIS A 61 52.653 2.977 40.327 1.00 1.00 H new ATOM 0 HE1 HIS A 61 56.512 2.260 41.882 1.00 1.00 H new ATOM 0 HE2 HIS A 61 54.844 4.103 41.258 1.00 1.00 H new ATOM 937 N HIS A 62 54.133 -0.067 36.852 1.00 1.00 N ATOM 938 CA HIS A 62 55.370 -0.336 36.128 1.00 1.00 C ATOM 939 C HIS A 62 55.517 0.617 34.947 1.00 1.00 C ATOM 940 O HIS A 62 54.724 0.583 34.007 1.00 1.00 O ATOM 941 CB HIS A 62 55.379 -1.781 35.626 1.00 1.00 C ATOM 942 CG HIS A 62 56.785 -2.312 35.652 1.00 1.00 C ATOM 943 ND1 HIS A 62 57.066 -3.648 35.891 1.00 1.00 N ATOM 944 CD2 HIS A 62 58.000 -1.701 35.471 1.00 1.00 C ATOM 945 CE1 HIS A 62 58.402 -3.796 35.849 1.00 1.00 C ATOM 946 NE2 HIS A 62 59.021 -2.639 35.596 1.00 1.00 N ATOM 0 H HIS A 62 53.399 0.367 36.292 1.00 1.00 H new ATOM 0 HA HIS A 62 56.208 -0.184 36.809 1.00 1.00 H new ATOM 0 HB2 HIS A 62 54.734 -2.398 36.251 1.00 1.00 H new ATOM 0 HB3 HIS A 62 54.980 -1.828 34.613 1.00 1.00 H new ATOM 0 HD2 HIS A 62 58.143 -0.651 35.263 1.00 1.00 H new ATOM 0 HE1 HIS A 62 58.912 -4.735 36.001 1.00 1.00 H new ATOM 0 HE2 HIS A 62 60.025 -2.478 35.513 1.00 1.00 H new ATOM 954 N HIS A 63 56.538 1.467 35.003 1.00 1.00 N ATOM 955 CA HIS A 63 56.784 2.425 33.937 1.00 1.00 C ATOM 956 C HIS A 63 58.260 2.448 33.572 1.00 1.00 C ATOM 957 O HIS A 63 58.949 1.430 33.647 1.00 1.00 O ATOM 958 CB HIS A 63 56.347 3.822 34.381 1.00 1.00 C ATOM 959 CG HIS A 63 56.058 4.667 33.170 1.00 1.00 C ATOM 960 ND1 HIS A 63 56.424 4.538 31.854 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 55.295 5.822 33.240 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 55.897 5.595 31.116 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 55.226 6.338 31.999 1.00 1.00 N flip ATOM 0 H HIS A 63 57.205 1.510 35.774 1.00 1.00 H new ATOM 0 HA HIS A 63 56.208 2.124 33.062 1.00 1.00 H new ATOM 0 HB2 HIS A 63 55.459 3.754 35.010 1.00 1.00 H new ATOM 0 HB3 HIS A 63 57.129 4.285 34.982 1.00 1.00 H new ATOM 0 HD2 HIS A 63 54.839 6.233 34.129 1.00 1.00 H new ATOM 0 HE1 HIS A 63 56.007 5.775 30.057 1.00 1.00 H new ATOM 0 HE2 HIS A 63 54.722 7.193 31.762 1.00 1.00 H new ATOM 971 N HIS A 64 58.733 3.617 33.178 1.00 1.00 N ATOM 972 CA HIS A 64 60.132 3.782 32.799 1.00 1.00 C ATOM 973 C HIS A 64 60.966 4.208 34.003 1.00 1.00 C ATOM 974 O HIS A 64 60.401 4.333 35.077 1.00 1.00 O ATOM 975 CB HIS A 64 60.252 4.835 31.695 1.00 1.00 C ATOM 976 CG HIS A 64 60.629 4.165 30.403 1.00 1.00 C ATOM 977 ND1 HIS A 64 61.613 4.670 29.567 1.00 1.00 N ATOM 978 CD2 HIS A 64 60.164 3.028 29.789 1.00 1.00 C ATOM 979 CE1 HIS A 64 61.707 3.847 28.507 1.00 1.00 C ATOM 980 NE2 HIS A 64 60.846 2.830 28.591 1.00 1.00 N ATOM 981 OXT HIS A 64 62.158 4.401 33.833 1.00 1.00 O ATOM 0 H HIS A 64 58.173 4.467 33.111 1.00 1.00 H new ATOM 0 HA HIS A 64 60.506 2.826 32.432 1.00 1.00 H new ATOM 0 HB2 HIS A 64 59.307 5.366 31.580 1.00 1.00 H new ATOM 0 HB3 HIS A 64 61.003 5.577 31.965 1.00 1.00 H new ATOM 0 HD2 HIS A 64 59.387 2.385 30.176 1.00 1.00 H new ATOM 0 HE1 HIS A 64 62.395 3.991 27.687 1.00 1.00 H new ATOM 0 HE2 HIS A 64 60.716 2.071 27.922 1.00 1.00 H new TER 989 HIS A 64