USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 11 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 HIS : no HE2:sc= -0.186 K(o=-0.19,f=-2.3) 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 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 7 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.0099) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0.00442 X(o=0.0044,f=-0.00067) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 15 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.15) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 1 (180deg=0.728) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.4) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.815 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= -0.0539 (180deg=-0.36) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0895 F(o=-3.1!,f=-0.09) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= 0.162 USER MOD Single : A 58 HIS : no HE2:sc= -0.526 K(o=-0.53,f=-1.7) USER MOD Single : A 59 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.5) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0699 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -37.187 12.409 11.610 1.00 53.35 N ATOM 2 CA MET A 1 -37.458 12.393 10.147 1.00 31.44 C ATOM 3 C MET A 1 -37.351 10.963 9.581 1.00 23.41 C ATOM 4 O MET A 1 -38.351 10.369 9.173 1.00 51.42 O ATOM 5 CB MET A 1 -36.480 13.342 9.432 1.00 32.23 C ATOM 6 CG MET A 1 -36.797 13.587 7.963 1.00 12.42 C ATOM 7 SD MET A 1 -35.671 14.787 7.212 1.00 12.41 S ATOM 8 CE MET A 1 -36.346 14.912 5.556 1.00 11.11 C ATOM 0 H1 MET A 1 -37.265 13.383 11.967 1.00 53.35 H new ATOM 0 H2 MET A 1 -37.879 11.805 12.098 1.00 53.35 H new ATOM 0 H3 MET A 1 -36.227 12.051 11.789 1.00 53.35 H new ATOM 0 HA MET A 1 -38.477 12.738 9.973 1.00 31.44 H new ATOM 0 HB2 MET A 1 -36.475 14.299 9.954 1.00 32.23 H new ATOM 0 HB3 MET A 1 -35.473 12.932 9.510 1.00 32.23 H new ATOM 0 HG2 MET A 1 -36.737 12.645 7.418 1.00 12.42 H new ATOM 0 HG3 MET A 1 -37.822 13.945 7.869 1.00 12.42 H new ATOM 0 HE1 MET A 1 -35.754 15.618 4.974 1.00 11.11 H new ATOM 0 HE2 MET A 1 -36.318 13.933 5.077 1.00 11.11 H new ATOM 0 HE3 MET A 1 -37.377 15.261 5.609 1.00 11.11 H new ATOM 20 N GLY A 2 -36.139 10.404 9.574 1.00 55.11 N ATOM 21 CA GLY A 2 -35.935 9.040 9.083 1.00 4.23 C ATOM 22 C GLY A 2 -36.530 7.970 10.001 1.00 11.12 C ATOM 23 O GLY A 2 -35.814 7.327 10.768 1.00 52.25 O ATOM 0 H GLY A 2 -35.292 10.869 9.899 1.00 55.11 H new ATOM 0 HA2 GLY A 2 -36.381 8.948 8.093 1.00 4.23 H new ATOM 0 HA3 GLY A 2 -34.866 8.858 8.970 1.00 4.23 H new ATOM 27 N HIS A 3 -37.849 7.773 9.912 1.00 11.22 N ATOM 28 CA HIS A 3 -38.552 6.794 10.761 1.00 10.10 C ATOM 29 C HIS A 3 -38.265 5.343 10.330 1.00 50.24 C ATOM 30 O HIS A 3 -38.457 4.404 11.102 1.00 63.23 O ATOM 31 CB HIS A 3 -40.065 7.052 10.730 1.00 41.33 C ATOM 32 CG HIS A 3 -40.442 8.468 11.046 1.00 30.54 C ATOM 33 ND1 HIS A 3 -41.329 9.194 10.284 1.00 13.13 N ATOM 34 CD2 HIS A 3 -40.049 9.293 12.045 1.00 53.03 C ATOM 35 CE1 HIS A 3 -41.467 10.399 10.795 1.00 34.24 C ATOM 36 NE2 HIS A 3 -40.702 10.485 11.862 1.00 11.00 N ATOM 0 H HIS A 3 -38.455 8.275 9.263 1.00 11.22 H new ATOM 0 HA HIS A 3 -38.178 6.921 11.777 1.00 10.10 H new ATOM 0 HB2 HIS A 3 -40.448 6.795 9.742 1.00 41.33 H new ATOM 0 HB3 HIS A 3 -40.552 6.388 11.444 1.00 41.33 H new ATOM 0 HD2 HIS A 3 -39.353 9.057 12.836 1.00 53.03 H new ATOM 0 HE1 HIS A 3 -42.100 11.183 10.405 1.00 34.24 H new ATOM 0 HE2 HIS A 3 -40.609 11.307 12.458 1.00 11.00 H new ATOM 45 N HIS A 4 -37.811 5.166 9.090 1.00 74.44 N ATOM 46 CA HIS A 4 -37.502 3.836 8.553 1.00 25.20 C ATOM 47 C HIS A 4 -35.998 3.692 8.275 1.00 32.45 C ATOM 48 O HIS A 4 -35.271 4.685 8.236 1.00 50.25 O ATOM 49 CB HIS A 4 -38.313 3.579 7.276 1.00 13.41 C ATOM 50 CG HIS A 4 -39.801 3.608 7.494 1.00 45.10 C ATOM 51 ND1 HIS A 4 -40.673 4.316 6.694 1.00 74.13 N ATOM 52 CD2 HIS A 4 -40.570 3.003 8.431 1.00 35.02 C ATOM 53 CE1 HIS A 4 -41.906 4.149 7.130 1.00 3.23 C ATOM 54 NE2 HIS A 4 -41.872 3.358 8.182 1.00 25.33 N ATOM 0 H HIS A 4 -37.647 5.929 8.433 1.00 74.44 H new ATOM 0 HA HIS A 4 -37.779 3.092 9.300 1.00 25.20 H new ATOM 0 HB2 HIS A 4 -38.048 4.328 6.530 1.00 13.41 H new ATOM 0 HB3 HIS A 4 -38.033 2.609 6.866 1.00 13.41 H new ATOM 0 HD2 HIS A 4 -40.223 2.360 9.227 1.00 35.02 H new ATOM 0 HE1 HIS A 4 -42.794 4.587 6.698 1.00 3.23 H new ATOM 0 HE2 HIS A 4 -42.682 3.058 8.724 1.00 25.33 H new ATOM 63 N HIS A 5 -35.538 2.457 8.072 1.00 74.24 N ATOM 64 CA HIS A 5 -34.099 2.183 7.921 1.00 42.14 C ATOM 65 C HIS A 5 -33.817 1.102 6.865 1.00 42.11 C ATOM 66 O HIS A 5 -34.665 0.257 6.581 1.00 10.44 O ATOM 67 CB HIS A 5 -33.507 1.764 9.276 1.00 5.44 C ATOM 68 CG HIS A 5 -34.208 0.599 9.913 1.00 42.14 C ATOM 69 ND1 HIS A 5 -33.660 -0.664 9.997 1.00 1.23 N ATOM 70 CD2 HIS A 5 -35.421 0.513 10.513 1.00 3.40 C ATOM 71 CE1 HIS A 5 -34.499 -1.468 10.616 1.00 34.44 C ATOM 72 NE2 HIS A 5 -35.572 -0.780 10.938 1.00 74.44 N ATOM 0 H HIS A 5 -36.133 1.631 8.008 1.00 74.24 H new ATOM 0 HA HIS A 5 -33.624 3.101 7.575 1.00 42.14 H new ATOM 0 HB2 HIS A 5 -32.455 1.512 9.139 1.00 5.44 H new ATOM 0 HB3 HIS A 5 -33.545 2.615 9.957 1.00 5.44 H new ATOM 0 HD2 HIS A 5 -36.135 1.315 10.633 1.00 3.40 H new ATOM 0 HE1 HIS A 5 -34.334 -2.515 10.824 1.00 34.44 H new ATOM 0 HE2 HIS A 5 -36.387 -1.150 11.427 1.00 74.44 H new ATOM 81 N HIS A 6 -32.610 1.132 6.302 1.00 61.21 N ATOM 82 CA HIS A 6 -32.197 0.168 5.274 1.00 32.44 C ATOM 83 C HIS A 6 -32.066 -1.251 5.856 1.00 32.43 C ATOM 84 O HIS A 6 -31.479 -1.442 6.921 1.00 11.13 O ATOM 85 CB HIS A 6 -30.869 0.614 4.648 1.00 21.14 C ATOM 86 CG HIS A 6 -30.932 1.995 4.063 1.00 41.35 C ATOM 87 ND1 HIS A 6 -30.498 3.121 4.728 1.00 21.31 N ATOM 88 CD2 HIS A 6 -31.401 2.430 2.869 1.00 52.15 C ATOM 89 CE1 HIS A 6 -30.698 4.182 3.975 1.00 44.32 C ATOM 90 NE2 HIS A 6 -31.241 3.792 2.842 1.00 24.44 N ATOM 0 H HIS A 6 -31.894 1.818 6.541 1.00 61.21 H new ATOM 0 HA HIS A 6 -32.967 0.139 4.503 1.00 32.44 H new ATOM 0 HB2 HIS A 6 -30.087 0.582 5.407 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -30.586 -0.093 3.868 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -31.822 1.819 2.085 1.00 52.15 H new ATOM 0 HE1 HIS A 6 -30.457 5.200 4.242 1.00 44.32 H new ATOM 0 HE2 HIS A 6 -31.501 4.404 2.068 1.00 24.44 H new ATOM 99 N HIS A 7 -32.611 -2.237 5.147 1.00 11.44 N ATOM 100 CA HIS A 7 -32.679 -3.618 5.646 1.00 64.43 C ATOM 101 C HIS A 7 -31.746 -4.567 4.868 1.00 70.34 C ATOM 102 O HIS A 7 -32.022 -4.917 3.719 1.00 43.40 O ATOM 103 CB HIS A 7 -34.134 -4.112 5.557 1.00 3.23 C ATOM 104 CG HIS A 7 -34.354 -5.518 6.047 1.00 0.21 C ATOM 105 ND1 HIS A 7 -34.799 -5.810 7.319 1.00 44.34 N ATOM 106 CD2 HIS A 7 -34.212 -6.715 5.421 1.00 54.10 C ATOM 107 CE1 HIS A 7 -34.922 -7.116 7.453 1.00 44.53 C ATOM 108 NE2 HIS A 7 -34.574 -7.685 6.321 1.00 62.23 N ATOM 0 H HIS A 7 -33.015 -2.109 4.219 1.00 11.44 H new ATOM 0 HA HIS A 7 -32.341 -3.621 6.682 1.00 64.43 H new ATOM 0 HB2 HIS A 7 -34.768 -3.438 6.133 1.00 3.23 H new ATOM 0 HB3 HIS A 7 -34.462 -4.048 4.519 1.00 3.23 H new ATOM 0 HD2 HIS A 7 -33.877 -6.873 4.406 1.00 54.10 H new ATOM 0 HE1 HIS A 7 -35.253 -7.631 8.343 1.00 44.53 H new ATOM 0 HE2 HIS A 7 -34.573 -8.689 6.140 1.00 62.23 H new ATOM 117 N HIS A 8 -30.646 -4.991 5.502 1.00 22.31 N ATOM 118 CA HIS A 8 -29.734 -5.977 4.896 1.00 15.53 C ATOM 119 C HIS A 8 -28.662 -6.484 5.886 1.00 34.21 C ATOM 120 O HIS A 8 -27.777 -5.734 6.300 1.00 24.33 O ATOM 121 CB HIS A 8 -29.062 -5.410 3.626 1.00 2.45 C ATOM 122 CG HIS A 8 -28.505 -4.021 3.767 1.00 44.15 C ATOM 123 ND1 HIS A 8 -29.083 -2.921 3.175 1.00 63.31 N ATOM 124 CD2 HIS A 8 -27.413 -3.554 4.420 1.00 62.15 C ATOM 125 CE1 HIS A 8 -28.377 -1.845 3.454 1.00 34.01 C ATOM 126 NE2 HIS A 8 -27.360 -2.199 4.209 1.00 34.12 N ATOM 0 H HIS A 8 -30.364 -4.671 6.429 1.00 22.31 H new ATOM 0 HA HIS A 8 -30.350 -6.832 4.618 1.00 15.53 H new ATOM 0 HB2 HIS A 8 -28.255 -6.080 3.330 1.00 2.45 H new ATOM 0 HB3 HIS A 8 -29.791 -5.412 2.816 1.00 2.45 H new ATOM 0 HD2 HIS A 8 -26.714 -4.140 4.999 1.00 62.15 H new ATOM 0 HE1 HIS A 8 -28.596 -0.842 3.119 1.00 34.01 H new ATOM 0 HE2 HIS A 8 -26.648 -1.569 4.578 1.00 34.12 H new ATOM 135 N SER A 9 -28.763 -7.757 6.280 1.00 41.50 N ATOM 136 CA SER A 9 -27.690 -8.431 7.036 1.00 32.24 C ATOM 137 C SER A 9 -26.842 -9.288 6.088 1.00 21.30 C ATOM 138 O SER A 9 -27.200 -10.426 5.776 1.00 72.44 O ATOM 139 CB SER A 9 -28.259 -9.322 8.155 1.00 61.22 C ATOM 140 OG SER A 9 -28.976 -8.565 9.118 1.00 74.52 O ATOM 0 H SER A 9 -29.574 -8.346 6.091 1.00 41.50 H new ATOM 0 HA SER A 9 -27.073 -7.658 7.494 1.00 32.24 H new ATOM 0 HB2 SER A 9 -28.917 -10.075 7.721 1.00 61.22 H new ATOM 0 HB3 SER A 9 -27.444 -9.855 8.645 1.00 61.22 H new ATOM 0 HG SER A 9 -29.324 -9.164 9.812 1.00 74.52 H new ATOM 146 N HIS A 10 -25.729 -8.731 5.617 1.00 73.32 N ATOM 147 CA HIS A 10 -24.907 -9.394 4.596 1.00 34.34 C ATOM 148 C HIS A 10 -23.525 -8.744 4.469 1.00 63.44 C ATOM 149 O HIS A 10 -23.396 -7.519 4.528 1.00 4.04 O ATOM 150 CB HIS A 10 -25.638 -9.346 3.241 1.00 73.22 C ATOM 151 CG HIS A 10 -24.788 -9.724 2.062 1.00 52.31 C ATOM 152 ND1 HIS A 10 -24.479 -8.845 1.046 1.00 23.22 N ATOM 153 CD2 HIS A 10 -24.175 -10.886 1.738 1.00 35.43 C ATOM 154 CE1 HIS A 10 -23.717 -9.448 0.158 1.00 63.32 C ATOM 155 NE2 HIS A 10 -23.515 -10.686 0.553 1.00 41.13 N ATOM 0 H HIS A 10 -25.373 -7.825 5.922 1.00 73.32 H new ATOM 0 HA HIS A 10 -24.756 -10.429 4.901 1.00 34.34 H new ATOM 0 HB2 HIS A 10 -26.498 -10.015 3.282 1.00 73.22 H new ATOM 0 HB3 HIS A 10 -26.025 -8.339 3.086 1.00 73.22 H new ATOM 0 HD2 HIS A 10 -24.201 -11.803 2.308 1.00 35.43 H new ATOM 0 HE1 HIS A 10 -23.324 -9.001 -0.743 1.00 63.32 H new ATOM 0 HE2 HIS A 10 -22.958 -11.383 0.059 1.00 41.13 H new ATOM 164 N MET A 11 -22.494 -9.567 4.285 1.00 72.54 N ATOM 165 CA MET A 11 -21.144 -9.065 4.023 1.00 24.22 C ATOM 166 C MET A 11 -21.114 -8.326 2.671 1.00 52.42 C ATOM 167 O MET A 11 -20.824 -8.919 1.633 1.00 32.21 O ATOM 168 CB MET A 11 -20.145 -10.230 4.023 1.00 71.12 C ATOM 169 CG MET A 11 -18.684 -9.799 4.053 1.00 0.12 C ATOM 170 SD MET A 11 -18.286 -8.842 5.534 1.00 54.30 S ATOM 171 CE MET A 11 -16.503 -8.719 5.387 1.00 64.23 C ATOM 0 H MET A 11 -22.566 -10.584 4.312 1.00 72.54 H new ATOM 0 HA MET A 11 -20.861 -8.365 4.809 1.00 24.22 H new ATOM 0 HB2 MET A 11 -20.343 -10.864 4.887 1.00 71.12 H new ATOM 0 HB3 MET A 11 -20.314 -10.839 3.135 1.00 71.12 H new ATOM 0 HG2 MET A 11 -18.046 -10.681 4.010 1.00 0.12 H new ATOM 0 HG3 MET A 11 -18.464 -9.203 3.167 1.00 0.12 H new ATOM 0 HE1 MET A 11 -16.089 -8.313 6.310 1.00 64.23 H new ATOM 0 HE2 MET A 11 -16.084 -9.709 5.205 1.00 64.23 H new ATOM 0 HE3 MET A 11 -16.251 -8.060 4.556 1.00 64.23 H new ATOM 181 N ASN A 12 -21.460 -7.039 2.687 1.00 54.32 N ATOM 182 CA ASN A 12 -21.615 -6.251 1.455 1.00 24.45 C ATOM 183 C ASN A 12 -20.282 -6.040 0.714 1.00 40.43 C ATOM 184 O ASN A 12 -19.630 -5.007 0.869 1.00 42.24 O ATOM 185 CB ASN A 12 -22.265 -4.894 1.772 1.00 32.23 C ATOM 186 CG ASN A 12 -22.618 -4.099 0.524 1.00 24.22 C ATOM 187 OD1 ASN A 12 -23.723 -4.194 0.003 1.00 53.01 O ATOM 188 ND2 ASN A 12 -21.678 -3.319 0.027 1.00 11.45 N ATOM 0 H ASN A 12 -21.640 -6.514 3.543 1.00 54.32 H new ATOM 0 HA ASN A 12 -22.263 -6.822 0.790 1.00 24.45 H new ATOM 0 HB2 ASN A 12 -23.168 -5.058 2.359 1.00 32.23 H new ATOM 0 HB3 ASN A 12 -21.585 -4.307 2.390 1.00 32.23 H new ATOM 0 HD21 ASN A 12 -21.861 -2.773 -0.815 1.00 11.45 H new ATOM 0 HD22 ASN A 12 -20.768 -3.262 0.484 1.00 11.45 H new ATOM 195 N HIS A 13 -19.882 -7.040 -0.068 1.00 10.12 N ATOM 196 CA HIS A 13 -18.707 -6.941 -0.948 1.00 40.32 C ATOM 197 C HIS A 13 -18.878 -7.802 -2.210 1.00 40.21 C ATOM 198 O HIS A 13 -19.102 -9.011 -2.122 1.00 12.35 O ATOM 199 CB HIS A 13 -17.418 -7.370 -0.222 1.00 22.54 C ATOM 200 CG HIS A 13 -16.912 -6.375 0.776 1.00 73.31 C ATOM 201 ND1 HIS A 13 -16.580 -6.709 2.065 1.00 30.43 N ATOM 202 CD2 HIS A 13 -16.658 -5.047 0.659 1.00 24.41 C ATOM 203 CE1 HIS A 13 -16.152 -5.641 2.701 1.00 22.51 C ATOM 204 NE2 HIS A 13 -16.186 -4.618 1.874 1.00 42.21 N ATOM 0 H HIS A 13 -20.357 -7.941 -0.114 1.00 10.12 H new ATOM 0 HA HIS A 13 -18.623 -5.893 -1.235 1.00 40.32 H new ATOM 0 HB2 HIS A 13 -17.599 -8.317 0.287 1.00 22.54 H new ATOM 0 HB3 HIS A 13 -16.640 -7.551 -0.964 1.00 22.54 H new ATOM 0 HD1 HIS A 13 -16.654 -7.643 2.468 1.00 30.43 H new ATOM 0 HD2 HIS A 13 -16.801 -4.442 -0.224 1.00 24.41 H new ATOM 0 HE1 HIS A 13 -15.827 -5.609 3.730 1.00 22.51 H new ATOM 213 N GLN A 14 -18.784 -7.172 -3.378 1.00 62.21 N ATOM 214 CA GLN A 14 -18.766 -7.904 -4.649 1.00 50.24 C ATOM 215 C GLN A 14 -17.317 -8.191 -5.060 1.00 51.11 C ATOM 216 O GLN A 14 -16.998 -9.269 -5.558 1.00 50.44 O ATOM 217 CB GLN A 14 -19.496 -7.120 -5.748 1.00 10.23 C ATOM 218 CG GLN A 14 -20.970 -6.876 -5.433 1.00 21.52 C ATOM 219 CD GLN A 14 -21.752 -6.354 -6.626 1.00 44.35 C ATOM 220 OE1 GLN A 14 -21.209 -5.680 -7.496 1.00 15.44 O ATOM 221 NE2 GLN A 14 -23.032 -6.658 -6.677 1.00 42.33 N ATOM 0 H GLN A 14 -18.719 -6.159 -3.475 1.00 62.21 H new ATOM 0 HA GLN A 14 -19.291 -8.849 -4.514 1.00 50.24 H new ATOM 0 HB2 GLN A 14 -18.998 -6.161 -5.893 1.00 10.23 H new ATOM 0 HB3 GLN A 14 -19.417 -7.666 -6.688 1.00 10.23 H new ATOM 0 HG2 GLN A 14 -21.421 -7.806 -5.088 1.00 21.52 H new ATOM 0 HG3 GLN A 14 -21.048 -6.161 -4.614 1.00 21.52 H new ATOM 0 HE21 GLN A 14 -23.452 -7.220 -5.937 1.00 42.33 H new ATOM 0 HE22 GLN A 14 -23.603 -6.331 -7.456 1.00 42.33 H new ATOM 230 N HIS A 15 -16.444 -7.210 -4.847 1.00 72.34 N ATOM 231 CA HIS A 15 -14.998 -7.415 -4.971 1.00 32.41 C ATOM 232 C HIS A 15 -14.351 -7.505 -3.584 1.00 33.21 C ATOM 233 O HIS A 15 -13.939 -6.497 -3.008 1.00 71.23 O ATOM 234 CB HIS A 15 -14.338 -6.288 -5.777 1.00 62.13 C ATOM 235 CG HIS A 15 -14.705 -6.284 -7.227 1.00 0.31 C ATOM 236 ND1 HIS A 15 -15.041 -7.425 -7.922 1.00 14.31 N ATOM 237 CD2 HIS A 15 -14.776 -5.270 -8.121 1.00 62.33 C ATOM 238 CE1 HIS A 15 -15.301 -7.113 -9.173 1.00 71.44 C ATOM 239 NE2 HIS A 15 -15.150 -5.816 -9.323 1.00 22.31 N ATOM 0 H HIS A 15 -16.711 -6.261 -4.587 1.00 72.34 H new ATOM 0 HA HIS A 15 -14.843 -8.353 -5.505 1.00 32.41 H new ATOM 0 HB2 HIS A 15 -14.617 -5.330 -5.339 1.00 62.13 H new ATOM 0 HB3 HIS A 15 -13.255 -6.376 -5.687 1.00 62.13 H new ATOM 0 HD2 HIS A 15 -14.576 -4.227 -7.925 1.00 62.33 H new ATOM 0 HE1 HIS A 15 -15.590 -7.807 -9.948 1.00 71.44 H new ATOM 0 HE2 HIS A 15 -15.288 -5.299 -10.192 1.00 22.31 H new ATOM 248 N GLU A 16 -14.290 -8.713 -3.038 1.00 43.01 N ATOM 249 CA GLU A 16 -13.676 -8.931 -1.730 1.00 11.04 C ATOM 250 C GLU A 16 -12.201 -9.328 -1.894 1.00 34.54 C ATOM 251 O GLU A 16 -11.854 -10.512 -1.886 1.00 22.23 O ATOM 252 CB GLU A 16 -14.444 -10.009 -0.942 1.00 55.11 C ATOM 253 CG GLU A 16 -13.983 -10.174 0.509 1.00 21.35 C ATOM 254 CD GLU A 16 -14.273 -8.953 1.373 1.00 73.33 C ATOM 255 OE1 GLU A 16 -13.586 -7.925 1.208 1.00 31.30 O ATOM 256 OE2 GLU A 16 -15.184 -9.016 2.229 1.00 62.34 O ATOM 0 H GLU A 16 -14.657 -9.557 -3.478 1.00 43.01 H new ATOM 0 HA GLU A 16 -13.724 -8.000 -1.166 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.505 -9.761 -0.948 1.00 55.11 H new ATOM 0 HB3 GLU A 16 -14.337 -10.964 -1.456 1.00 55.11 H new ATOM 0 HG2 GLU A 16 -14.476 -11.044 0.943 1.00 21.35 H new ATOM 0 HG3 GLU A 16 -12.912 -10.375 0.523 1.00 21.35 H new ATOM 263 N ALA A 17 -11.344 -8.328 -2.087 1.00 42.31 N ATOM 264 CA ALA A 17 -9.908 -8.557 -2.282 1.00 52.21 C ATOM 265 C ALA A 17 -9.166 -8.666 -0.945 1.00 73.25 C ATOM 266 O ALA A 17 -9.652 -8.199 0.088 1.00 0.44 O ATOM 267 CB ALA A 17 -9.309 -7.443 -3.131 1.00 62.35 C ATOM 0 H ALA A 17 -11.618 -7.346 -2.113 1.00 42.31 H new ATOM 0 HA ALA A 17 -9.790 -9.507 -2.803 1.00 52.21 H new ATOM 0 HB1 ALA A 17 -8.243 -7.624 -3.269 1.00 62.35 H new ATOM 0 HB2 ALA A 17 -9.802 -7.421 -4.103 1.00 62.35 H new ATOM 0 HB3 ALA A 17 -9.453 -6.486 -2.630 1.00 62.35 H new ATOM 273 N ARG A 18 -7.983 -9.277 -0.974 1.00 3.20 N ATOM 274 CA ARG A 18 -7.187 -9.486 0.242 1.00 0.42 C ATOM 275 C ARG A 18 -6.733 -8.141 0.850 1.00 41.42 C ATOM 276 O ARG A 18 -6.509 -7.163 0.130 1.00 31.41 O ATOM 277 CB ARG A 18 -5.972 -10.375 -0.074 1.00 0.50 C ATOM 278 CG ARG A 18 -4.921 -9.684 -0.932 1.00 41.41 C ATOM 279 CD ARG A 18 -3.797 -10.626 -1.362 1.00 41.52 C ATOM 280 NE ARG A 18 -4.194 -11.489 -2.474 1.00 43.21 N ATOM 281 CZ ARG A 18 -3.392 -12.335 -3.064 1.00 65.22 C ATOM 282 NH1 ARG A 18 -2.177 -12.505 -2.642 1.00 43.31 N ATOM 283 NH2 ARG A 18 -3.810 -13.015 -4.078 1.00 42.22 N ATOM 0 H ARG A 18 -7.551 -9.637 -1.825 1.00 3.20 H new ATOM 0 HA ARG A 18 -7.812 -9.988 0.980 1.00 0.42 H new ATOM 0 HB2 ARG A 18 -5.513 -10.695 0.861 1.00 0.50 H new ATOM 0 HB3 ARG A 18 -6.313 -11.275 -0.586 1.00 0.50 H new ATOM 0 HG2 ARG A 18 -5.399 -9.267 -1.818 1.00 41.41 H new ATOM 0 HG3 ARG A 18 -4.496 -8.848 -0.376 1.00 41.41 H new ATOM 0 HD2 ARG A 18 -2.925 -10.040 -1.653 1.00 41.52 H new ATOM 0 HD3 ARG A 18 -3.498 -11.243 -0.514 1.00 41.52 H new ATOM 0 HE ARG A 18 -5.155 -11.427 -2.809 1.00 43.21 H new ATOM 0 HH11 ARG A 18 -1.837 -11.975 -1.840 1.00 43.31 H new ATOM 0 HH12 ARG A 18 -1.562 -13.169 -3.112 1.00 43.31 H new ATOM 0 HH21 ARG A 18 -4.764 -12.891 -4.417 1.00 42.22 H new ATOM 0 HH22 ARG A 18 -3.186 -13.676 -4.541 1.00 42.22 H new ATOM 297 N LYS A 19 -6.604 -8.095 2.176 1.00 64.25 N ATOM 298 CA LYS A 19 -6.256 -6.850 2.880 1.00 63.30 C ATOM 299 C LYS A 19 -5.001 -7.010 3.752 1.00 61.13 C ATOM 300 O LYS A 19 -4.770 -8.066 4.344 1.00 21.02 O ATOM 301 CB LYS A 19 -7.434 -6.391 3.751 1.00 30.02 C ATOM 302 CG LYS A 19 -8.743 -6.233 2.980 1.00 30.11 C ATOM 303 CD LYS A 19 -9.875 -5.724 3.868 1.00 65.31 C ATOM 304 CE LYS A 19 -11.219 -5.767 3.150 1.00 55.21 C ATOM 305 NZ LYS A 19 -11.626 -7.159 2.817 1.00 55.41 N ATOM 0 H LYS A 19 -6.734 -8.901 2.788 1.00 64.25 H new ATOM 0 HA LYS A 19 -6.040 -6.098 2.121 1.00 63.30 H new ATOM 0 HB2 LYS A 19 -7.581 -7.111 4.556 1.00 30.02 H new ATOM 0 HB3 LYS A 19 -7.180 -5.439 4.217 1.00 30.02 H new ATOM 0 HG2 LYS A 19 -8.594 -5.541 2.151 1.00 30.11 H new ATOM 0 HG3 LYS A 19 -9.026 -7.192 2.547 1.00 30.11 H new ATOM 0 HD2 LYS A 19 -9.927 -6.329 4.773 1.00 65.31 H new ATOM 0 HD3 LYS A 19 -9.661 -4.701 4.179 1.00 65.31 H new ATOM 0 HE2 LYS A 19 -11.981 -5.306 3.778 1.00 55.21 H new ATOM 0 HE3 LYS A 19 -11.161 -5.177 2.235 1.00 55.21 H new ATOM 0 HZ1 LYS A 19 -12.622 -7.167 2.518 1.00 55.41 H new ATOM 0 HZ2 LYS A 19 -11.030 -7.520 2.045 1.00 55.41 H new ATOM 0 HZ3 LYS A 19 -11.511 -7.764 3.655 1.00 55.41 H new ATOM 319 N VAL A 20 -4.206 -5.946 3.837 1.00 11.11 N ATOM 320 CA VAL A 20 -2.982 -5.937 4.642 1.00 2.03 C ATOM 321 C VAL A 20 -2.950 -4.736 5.600 1.00 73.35 C ATOM 322 O VAL A 20 -3.580 -3.707 5.346 1.00 22.53 O ATOM 323 CB VAL A 20 -1.719 -5.909 3.741 1.00 12.33 C ATOM 324 CG1 VAL A 20 -1.615 -7.190 2.914 1.00 31.33 C ATOM 325 CG2 VAL A 20 -1.726 -4.674 2.834 1.00 60.23 C ATOM 0 H VAL A 20 -4.389 -5.067 3.352 1.00 11.11 H new ATOM 0 HA VAL A 20 -2.981 -6.856 5.229 1.00 2.03 H new ATOM 0 HB VAL A 20 -0.842 -5.850 4.386 1.00 12.33 H new ATOM 0 HG11 VAL A 20 -0.722 -7.149 2.290 1.00 31.33 H new ATOM 0 HG12 VAL A 20 -1.552 -8.050 3.581 1.00 31.33 H new ATOM 0 HG13 VAL A 20 -2.497 -7.287 2.280 1.00 31.33 H new ATOM 0 HG21 VAL A 20 -0.831 -4.675 2.211 1.00 60.23 H new ATOM 0 HG22 VAL A 20 -2.611 -4.695 2.198 1.00 60.23 H new ATOM 0 HG23 VAL A 20 -1.741 -3.773 3.447 1.00 60.23 H new ATOM 335 N ARG A 21 -2.212 -4.865 6.698 1.00 62.52 N ATOM 336 CA ARG A 21 -2.114 -3.794 7.699 1.00 75.32 C ATOM 337 C ARG A 21 -0.796 -3.015 7.560 1.00 0.22 C ATOM 338 O ARG A 21 0.285 -3.606 7.540 1.00 71.01 O ATOM 339 CB ARG A 21 -2.224 -4.381 9.116 1.00 72.10 C ATOM 340 CG ARG A 21 -2.113 -3.340 10.232 1.00 65.11 C ATOM 341 CD ARG A 21 -2.182 -3.980 11.615 1.00 63.24 C ATOM 342 NE ARG A 21 -1.962 -3.010 12.686 1.00 64.43 N ATOM 343 CZ ARG A 21 -1.468 -3.314 13.855 1.00 52.03 C ATOM 344 NH1 ARG A 21 -1.156 -4.537 14.136 1.00 0.42 N ATOM 345 NH2 ARG A 21 -1.292 -2.394 14.746 1.00 2.12 N ATOM 0 H ARG A 21 -1.670 -5.700 6.923 1.00 62.52 H new ATOM 0 HA ARG A 21 -2.938 -3.102 7.527 1.00 75.32 H new ATOM 0 HB2 ARG A 21 -3.178 -4.899 9.210 1.00 72.10 H new ATOM 0 HB3 ARG A 21 -1.441 -5.128 9.251 1.00 72.10 H new ATOM 0 HG2 ARG A 21 -1.174 -2.797 10.130 1.00 65.11 H new ATOM 0 HG3 ARG A 21 -2.916 -2.610 10.129 1.00 65.11 H new ATOM 0 HD2 ARG A 21 -3.157 -4.450 11.748 1.00 63.24 H new ATOM 0 HD3 ARG A 21 -1.435 -4.771 11.685 1.00 63.24 H new ATOM 0 HE ARG A 21 -2.210 -2.036 12.509 1.00 64.43 H new ATOM 0 HH11 ARG A 21 -1.296 -5.271 13.442 1.00 0.42 H new ATOM 0 HH12 ARG A 21 -0.770 -4.767 15.052 1.00 0.42 H new ATOM 0 HH21 ARG A 21 -1.540 -1.427 14.536 1.00 2.12 H new ATOM 0 HH22 ARG A 21 -0.906 -2.635 15.659 1.00 2.12 H new ATOM 359 N ALA A 22 -0.892 -1.692 7.463 1.00 43.31 N ATOM 360 CA ALA A 22 0.294 -0.834 7.391 1.00 73.41 C ATOM 361 C ALA A 22 1.011 -0.761 8.746 1.00 54.11 C ATOM 362 O ALA A 22 0.419 -0.359 9.748 1.00 33.13 O ATOM 363 CB ALA A 22 -0.093 0.565 6.924 1.00 62.34 C ATOM 0 H ALA A 22 -1.778 -1.187 7.432 1.00 43.31 H new ATOM 0 HA ALA A 22 0.982 -1.272 6.668 1.00 73.41 H new ATOM 0 HB1 ALA A 22 0.798 1.192 6.875 1.00 62.34 H new ATOM 0 HB2 ALA A 22 -0.549 0.505 5.936 1.00 62.34 H new ATOM 0 HB3 ALA A 22 -0.804 0.999 7.627 1.00 62.34 H new ATOM 369 N ILE A 23 2.283 -1.150 8.776 1.00 25.52 N ATOM 370 CA ILE A 23 3.070 -1.110 10.013 1.00 41.43 C ATOM 371 C ILE A 23 4.037 0.085 10.037 1.00 20.11 C ATOM 372 O ILE A 23 4.486 0.500 11.102 1.00 10.12 O ATOM 373 CB ILE A 23 3.862 -2.427 10.227 1.00 73.21 C ATOM 374 CG1 ILE A 23 4.722 -2.757 8.994 1.00 74.42 C ATOM 375 CG2 ILE A 23 2.911 -3.577 10.558 1.00 1.05 C ATOM 376 CD1 ILE A 23 5.531 -4.035 9.135 1.00 71.43 C ATOM 0 H ILE A 23 2.793 -1.496 7.963 1.00 25.52 H new ATOM 0 HA ILE A 23 2.357 -0.993 10.829 1.00 41.43 H new ATOM 0 HB ILE A 23 4.534 -2.289 11.074 1.00 73.21 H new ATOM 0 HG12 ILE A 23 4.073 -2.843 8.123 1.00 74.42 H new ATOM 0 HG13 ILE A 23 5.402 -1.927 8.804 1.00 74.42 H new ATOM 0 HG21 ILE A 23 3.484 -4.492 10.705 1.00 1.05 H new ATOM 0 HG22 ILE A 23 2.361 -3.343 11.469 1.00 1.05 H new ATOM 0 HG23 ILE A 23 2.209 -3.716 9.736 1.00 1.05 H new ATOM 0 HD11 ILE A 23 6.111 -4.201 8.227 1.00 71.43 H new ATOM 0 HD12 ILE A 23 6.207 -3.946 9.986 1.00 71.43 H new ATOM 0 HD13 ILE A 23 4.857 -4.877 9.293 1.00 71.43 H new ATOM 388 N TYR A 24 4.350 0.640 8.861 1.00 33.33 N ATOM 389 CA TYR A 24 5.233 1.811 8.770 1.00 34.10 C ATOM 390 C TYR A 24 4.573 2.956 7.985 1.00 15.21 C ATOM 391 O TYR A 24 3.964 2.742 6.939 1.00 71.12 O ATOM 392 CB TYR A 24 6.573 1.427 8.124 1.00 75.01 C ATOM 393 CG TYR A 24 7.328 0.346 8.880 1.00 42.52 C ATOM 394 CD1 TYR A 24 7.630 0.496 10.232 1.00 31.22 C ATOM 395 CD2 TYR A 24 7.734 -0.826 8.247 1.00 61.23 C ATOM 396 CE1 TYR A 24 8.313 -0.485 10.925 1.00 74.43 C ATOM 397 CE2 TYR A 24 8.419 -1.812 8.935 1.00 13.20 C ATOM 398 CZ TYR A 24 8.705 -1.635 10.273 1.00 32.23 C ATOM 399 OH TYR A 24 9.386 -2.616 10.964 1.00 44.02 O ATOM 0 H TYR A 24 4.008 0.300 7.962 1.00 33.33 H new ATOM 0 HA TYR A 24 5.418 2.164 9.785 1.00 34.10 H new ATOM 0 HB2 TYR A 24 6.390 1.085 7.105 1.00 75.01 H new ATOM 0 HB3 TYR A 24 7.201 2.315 8.055 1.00 75.01 H new ATOM 0 HD1 TYR A 24 7.325 1.395 10.747 1.00 31.22 H new ATOM 0 HD2 TYR A 24 7.510 -0.968 7.200 1.00 61.23 H new ATOM 0 HE1 TYR A 24 8.539 -0.352 11.973 1.00 74.43 H new ATOM 0 HE2 TYR A 24 8.728 -2.714 8.428 1.00 13.20 H new ATOM 0 HH TYR A 24 9.588 -3.361 10.360 1.00 44.02 H new ATOM 409 N ASP A 25 4.702 4.168 8.519 1.00 3.40 N ATOM 410 CA ASP A 25 4.120 5.376 7.921 1.00 51.23 C ATOM 411 C ASP A 25 4.876 5.781 6.635 1.00 73.34 C ATOM 412 O ASP A 25 6.108 5.698 6.589 1.00 54.33 O ATOM 413 CB ASP A 25 4.189 6.502 8.961 1.00 15.21 C ATOM 414 CG ASP A 25 3.368 7.723 8.594 1.00 53.24 C ATOM 415 OD1 ASP A 25 3.714 8.410 7.613 1.00 75.35 O ATOM 416 OD2 ASP A 25 2.388 8.016 9.308 1.00 51.24 O ATOM 0 H ASP A 25 5.215 4.345 9.383 1.00 3.40 H new ATOM 0 HA ASP A 25 3.085 5.183 7.639 1.00 51.23 H new ATOM 0 HB2 ASP A 25 3.844 6.119 9.921 1.00 15.21 H new ATOM 0 HB3 ASP A 25 5.229 6.801 9.092 1.00 15.21 H new ATOM 421 N PHE A 26 4.146 6.224 5.599 1.00 53.32 N ATOM 422 CA PHE A 26 4.775 6.609 4.325 1.00 31.30 C ATOM 423 C PHE A 26 3.792 7.301 3.357 1.00 72.04 C ATOM 424 O PHE A 26 2.742 6.753 3.017 1.00 24.13 O ATOM 425 CB PHE A 26 5.367 5.362 3.645 1.00 3.32 C ATOM 426 CG PHE A 26 6.098 5.644 2.353 1.00 52.20 C ATOM 427 CD1 PHE A 26 7.416 6.074 2.366 1.00 23.31 C ATOM 428 CD2 PHE A 26 5.468 5.476 1.126 1.00 45.55 C ATOM 429 CE1 PHE A 26 8.091 6.327 1.187 1.00 72.51 C ATOM 430 CE2 PHE A 26 6.138 5.726 -0.055 1.00 31.43 C ATOM 431 CZ PHE A 26 7.451 6.154 -0.026 1.00 14.25 C ATOM 0 H PHE A 26 3.131 6.324 5.617 1.00 53.32 H new ATOM 0 HA PHE A 26 5.559 7.329 4.560 1.00 31.30 H new ATOM 0 HB2 PHE A 26 6.054 4.876 4.338 1.00 3.32 H new ATOM 0 HB3 PHE A 26 4.562 4.655 3.446 1.00 3.32 H new ATOM 0 HD1 PHE A 26 7.922 6.213 3.310 1.00 23.31 H new ATOM 0 HD2 PHE A 26 4.440 5.145 1.096 1.00 45.55 H new ATOM 0 HE1 PHE A 26 9.118 6.660 1.213 1.00 72.51 H new ATOM 0 HE2 PHE A 26 5.636 5.587 -1.001 1.00 31.43 H new ATOM 0 HZ PHE A 26 7.976 6.353 -0.949 1.00 14.25 H new ATOM 441 N GLU A 27 4.140 8.513 2.915 1.00 70.22 N ATOM 442 CA GLU A 27 3.433 9.160 1.802 1.00 22.22 C ATOM 443 C GLU A 27 4.154 8.872 0.482 1.00 21.33 C ATOM 444 O GLU A 27 5.386 8.843 0.435 1.00 11.05 O ATOM 445 CB GLU A 27 3.308 10.679 2.007 1.00 34.22 C ATOM 446 CG GLU A 27 2.335 11.082 3.109 1.00 61.21 C ATOM 447 CD GLU A 27 1.943 12.551 3.042 1.00 74.53 C ATOM 448 OE1 GLU A 27 1.100 12.909 2.190 1.00 12.13 O ATOM 449 OE2 GLU A 27 2.472 13.355 3.837 1.00 65.41 O ATOM 0 H GLU A 27 4.903 9.065 3.307 1.00 70.22 H new ATOM 0 HA GLU A 27 2.426 8.745 1.768 1.00 22.22 H new ATOM 0 HB2 GLU A 27 4.292 11.085 2.240 1.00 34.22 H new ATOM 0 HB3 GLU A 27 2.988 11.136 1.070 1.00 34.22 H new ATOM 0 HG2 GLU A 27 1.437 10.468 3.037 1.00 61.21 H new ATOM 0 HG3 GLU A 27 2.786 10.875 4.079 1.00 61.21 H new ATOM 456 N ALA A 28 3.380 8.683 -0.585 1.00 22.41 N ATOM 457 CA ALA A 28 3.915 8.279 -1.892 1.00 2.14 C ATOM 458 C ALA A 28 5.111 9.135 -2.344 1.00 32.30 C ATOM 459 O ALA A 28 4.981 10.339 -2.570 1.00 4.33 O ATOM 460 CB ALA A 28 2.808 8.330 -2.942 1.00 3.42 C ATOM 0 H ALA A 28 2.367 8.804 -0.573 1.00 22.41 H new ATOM 0 HA ALA A 28 4.283 7.259 -1.784 1.00 2.14 H new ATOM 0 HB1 ALA A 28 3.210 8.029 -3.910 1.00 3.42 H new ATOM 0 HB2 ALA A 28 2.004 7.651 -2.656 1.00 3.42 H new ATOM 0 HB3 ALA A 28 2.418 9.346 -3.011 1.00 3.42 H new ATOM 466 N ALA A 29 6.284 8.510 -2.452 1.00 42.02 N ATOM 467 CA ALA A 29 7.478 9.186 -2.981 1.00 64.02 C ATOM 468 C ALA A 29 7.278 9.574 -4.451 1.00 65.43 C ATOM 469 O ALA A 29 7.767 10.603 -4.918 1.00 41.13 O ATOM 470 CB ALA A 29 8.702 8.287 -2.831 1.00 5.34 C ATOM 0 H ALA A 29 6.437 7.538 -2.182 1.00 42.02 H new ATOM 0 HA ALA A 29 7.639 10.099 -2.407 1.00 64.02 H new ATOM 0 HB1 ALA A 29 9.580 8.798 -3.226 1.00 5.34 H new ATOM 0 HB2 ALA A 29 8.859 8.059 -1.777 1.00 5.34 H new ATOM 0 HB3 ALA A 29 8.543 7.361 -3.383 1.00 5.34 H new ATOM 476 N GLU A 30 6.551 8.726 -5.173 1.00 13.33 N ATOM 477 CA GLU A 30 6.164 8.990 -6.562 1.00 71.55 C ATOM 478 C GLU A 30 4.656 8.785 -6.728 1.00 61.45 C ATOM 479 O GLU A 30 4.039 8.061 -5.951 1.00 20.23 O ATOM 480 CB GLU A 30 6.920 8.061 -7.525 1.00 30.31 C ATOM 481 CG GLU A 30 8.427 8.290 -7.550 1.00 24.14 C ATOM 482 CD GLU A 30 9.155 7.313 -8.461 1.00 5.23 C ATOM 483 OE1 GLU A 30 9.127 7.507 -9.693 1.00 25.20 O ATOM 484 OE2 GLU A 30 9.756 6.342 -7.950 1.00 43.42 O ATOM 0 H GLU A 30 6.211 7.834 -4.814 1.00 13.33 H new ATOM 0 HA GLU A 30 6.421 10.022 -6.801 1.00 71.55 H new ATOM 0 HB2 GLU A 30 6.724 7.026 -7.244 1.00 30.31 H new ATOM 0 HB3 GLU A 30 6.525 8.198 -8.532 1.00 30.31 H new ATOM 0 HG2 GLU A 30 8.630 9.309 -7.881 1.00 24.14 H new ATOM 0 HG3 GLU A 30 8.821 8.199 -6.538 1.00 24.14 H new ATOM 491 N ASP A 31 4.070 9.408 -7.745 1.00 31.13 N ATOM 492 CA ASP A 31 2.636 9.255 -8.026 1.00 3.22 C ATOM 493 C ASP A 31 2.267 7.790 -8.346 1.00 52.23 C ATOM 494 O ASP A 31 1.090 7.421 -8.349 1.00 30.05 O ATOM 495 CB ASP A 31 2.225 10.176 -9.180 1.00 52.43 C ATOM 496 CG ASP A 31 3.129 10.028 -10.389 1.00 43.31 C ATOM 497 OD1 ASP A 31 2.877 9.133 -11.220 1.00 35.23 O ATOM 498 OD2 ASP A 31 4.105 10.799 -10.503 1.00 54.33 O ATOM 0 H ASP A 31 4.561 10.025 -8.392 1.00 31.13 H new ATOM 0 HA ASP A 31 2.088 9.540 -7.128 1.00 3.22 H new ATOM 0 HB2 ASP A 31 1.197 9.955 -9.469 1.00 52.43 H new ATOM 0 HB3 ASP A 31 2.245 11.211 -8.840 1.00 52.43 H new ATOM 503 N ASN A 32 3.275 6.971 -8.630 1.00 40.31 N ATOM 504 CA ASN A 32 3.081 5.531 -8.835 1.00 40.12 C ATOM 505 C ASN A 32 2.729 4.826 -7.510 1.00 33.21 C ATOM 506 O ASN A 32 1.964 3.864 -7.490 1.00 54.44 O ATOM 507 CB ASN A 32 4.354 4.915 -9.435 1.00 31.30 C ATOM 508 CG ASN A 32 4.178 3.456 -9.823 1.00 73.05 C ATOM 509 OD1 ASN A 32 3.102 3.035 -10.230 1.00 42.55 O ATOM 510 ND2 ASN A 32 5.232 2.671 -9.694 1.00 11.55 N ATOM 0 H ASN A 32 4.243 7.279 -8.725 1.00 40.31 H new ATOM 0 HA ASN A 32 2.250 5.391 -9.526 1.00 40.12 H new ATOM 0 HB2 ASN A 32 4.649 5.487 -10.315 1.00 31.30 H new ATOM 0 HB3 ASN A 32 5.167 4.999 -8.714 1.00 31.30 H new ATOM 0 HD21 ASN A 32 5.164 1.682 -9.936 1.00 11.55 H new ATOM 0 HD22 ASN A 32 6.114 3.053 -9.352 1.00 11.55 H new ATOM 517 N GLU A 33 3.282 5.334 -6.408 1.00 32.22 N ATOM 518 CA GLU A 33 3.100 4.728 -5.083 1.00 12.51 C ATOM 519 C GLU A 33 1.754 5.130 -4.448 1.00 30.53 C ATOM 520 O GLU A 33 1.115 6.101 -4.864 1.00 35.00 O ATOM 521 CB GLU A 33 4.257 5.141 -4.157 1.00 30.32 C ATOM 522 CG GLU A 33 5.646 4.840 -4.719 1.00 54.12 C ATOM 523 CD GLU A 33 5.951 3.352 -4.819 1.00 63.53 C ATOM 524 OE1 GLU A 33 6.388 2.760 -3.807 1.00 43.35 O ATOM 525 OE2 GLU A 33 5.778 2.779 -5.915 1.00 51.44 O ATOM 0 H GLU A 33 3.865 6.171 -6.405 1.00 32.22 H new ATOM 0 HA GLU A 33 3.097 3.646 -5.211 1.00 12.51 H new ATOM 0 HB2 GLU A 33 4.183 6.210 -3.955 1.00 30.32 H new ATOM 0 HB3 GLU A 33 4.144 4.628 -3.202 1.00 30.32 H new ATOM 0 HG2 GLU A 33 5.734 5.288 -5.709 1.00 54.12 H new ATOM 0 HG3 GLU A 33 6.396 5.315 -4.086 1.00 54.12 H new ATOM 532 N LEU A 34 1.337 4.383 -3.426 1.00 71.42 N ATOM 533 CA LEU A 34 0.069 4.646 -2.731 1.00 10.12 C ATOM 534 C LEU A 34 0.327 5.307 -1.361 1.00 61.54 C ATOM 535 O LEU A 34 1.075 4.785 -0.536 1.00 3.43 O ATOM 536 CB LEU A 34 -0.718 3.330 -2.547 1.00 44.53 C ATOM 537 CG LEU A 34 -2.258 3.447 -2.616 1.00 31.30 C ATOM 538 CD1 LEU A 34 -2.907 2.103 -2.308 1.00 14.43 C ATOM 539 CD2 LEU A 34 -2.785 4.526 -1.671 1.00 34.21 C ATOM 0 H LEU A 34 1.858 3.587 -3.057 1.00 71.42 H new ATOM 0 HA LEU A 34 -0.523 5.331 -3.338 1.00 10.12 H new ATOM 0 HB2 LEU A 34 -0.392 2.625 -3.312 1.00 44.53 H new ATOM 0 HB3 LEU A 34 -0.449 2.901 -1.582 1.00 44.53 H new ATOM 0 HG LEU A 34 -2.523 3.742 -3.631 1.00 31.30 H new ATOM 0 HD11 LEU A 34 -3.991 2.202 -2.361 1.00 14.43 H new ATOM 0 HD12 LEU A 34 -2.574 1.363 -3.036 1.00 14.43 H new ATOM 0 HD13 LEU A 34 -2.620 1.781 -1.307 1.00 14.43 H new ATOM 0 HD21 LEU A 34 -3.871 4.578 -1.748 1.00 34.21 H new ATOM 0 HD22 LEU A 34 -2.505 4.281 -0.646 1.00 34.21 H new ATOM 0 HD23 LEU A 34 -2.355 5.490 -1.944 1.00 34.21 H new ATOM 551 N THR A 35 -0.308 6.457 -1.132 1.00 3.53 N ATOM 552 CA THR A 35 -0.170 7.191 0.138 1.00 22.21 C ATOM 553 C THR A 35 -1.126 6.662 1.221 1.00 74.10 C ATOM 554 O THR A 35 -2.345 6.697 1.059 1.00 54.42 O ATOM 555 CB THR A 35 -0.426 8.710 -0.054 1.00 24.10 C ATOM 556 OG1 THR A 35 0.589 9.277 -0.895 1.00 12.23 O ATOM 557 CG2 THR A 35 -0.446 9.449 1.283 1.00 50.44 C ATOM 0 H THR A 35 -0.926 6.906 -1.808 1.00 3.53 H new ATOM 0 HA THR A 35 0.857 7.032 0.467 1.00 22.21 H new ATOM 0 HB THR A 35 -1.403 8.823 -0.523 1.00 24.10 H new ATOM 0 HG1 THR A 35 0.419 10.235 -1.012 1.00 12.23 H new ATOM 0 HG21 THR A 35 -0.628 10.510 1.110 1.00 50.44 H new ATOM 0 HG22 THR A 35 -1.239 9.043 1.911 1.00 50.44 H new ATOM 0 HG23 THR A 35 0.514 9.322 1.783 1.00 50.44 H new ATOM 565 N PHE A 36 -0.555 6.173 2.324 1.00 75.31 N ATOM 566 CA PHE A 36 -1.334 5.764 3.502 1.00 15.44 C ATOM 567 C PHE A 36 -0.435 5.685 4.745 1.00 14.12 C ATOM 568 O PHE A 36 0.778 5.500 4.634 1.00 72.00 O ATOM 569 CB PHE A 36 -2.054 4.425 3.260 1.00 5.23 C ATOM 570 CG PHE A 36 -1.163 3.303 2.782 1.00 73.41 C ATOM 571 CD1 PHE A 36 -0.395 2.570 3.674 1.00 45.15 C ATOM 572 CD2 PHE A 36 -1.104 2.975 1.433 1.00 44.42 C ATOM 573 CE1 PHE A 36 0.404 1.535 3.233 1.00 10.14 C ATOM 574 CE2 PHE A 36 -0.304 1.943 0.987 1.00 2.32 C ATOM 575 CZ PHE A 36 0.452 1.220 1.887 1.00 30.13 C ATOM 0 H PHE A 36 0.452 6.049 2.429 1.00 75.31 H new ATOM 0 HA PHE A 36 -2.097 6.522 3.678 1.00 15.44 H new ATOM 0 HB2 PHE A 36 -2.538 4.116 4.187 1.00 5.23 H new ATOM 0 HB3 PHE A 36 -2.844 4.581 2.525 1.00 5.23 H new ATOM 0 HD1 PHE A 36 -0.423 2.812 4.726 1.00 45.15 H new ATOM 0 HD2 PHE A 36 -1.693 3.536 0.723 1.00 44.42 H new ATOM 0 HE1 PHE A 36 0.993 0.970 3.940 1.00 10.14 H new ATOM 0 HE2 PHE A 36 -0.270 1.701 -0.065 1.00 2.32 H new ATOM 0 HZ PHE A 36 1.079 0.411 1.542 1.00 30.13 H new ATOM 585 N LYS A 37 -1.025 5.832 5.926 1.00 10.14 N ATOM 586 CA LYS A 37 -0.246 5.910 7.168 1.00 21.21 C ATOM 587 C LYS A 37 -0.294 4.602 7.974 1.00 63.35 C ATOM 588 O LYS A 37 -1.044 3.678 7.652 1.00 51.45 O ATOM 589 CB LYS A 37 -0.746 7.075 8.034 1.00 50.21 C ATOM 590 CG LYS A 37 -0.766 8.425 7.316 1.00 32.13 C ATOM 591 CD LYS A 37 0.573 8.739 6.661 1.00 51.51 C ATOM 592 CE LYS A 37 0.637 10.172 6.158 1.00 22.30 C ATOM 593 NZ LYS A 37 0.573 11.155 7.273 1.00 31.45 N ATOM 0 H LYS A 37 -2.035 5.900 6.055 1.00 10.14 H new ATOM 0 HA LYS A 37 0.793 6.080 6.884 1.00 21.21 H new ATOM 0 HB2 LYS A 37 -1.753 6.847 8.384 1.00 50.21 H new ATOM 0 HB3 LYS A 37 -0.112 7.155 8.917 1.00 50.21 H new ATOM 0 HG2 LYS A 37 -1.549 8.422 6.558 1.00 32.13 H new ATOM 0 HG3 LYS A 37 -1.015 9.212 8.028 1.00 32.13 H new ATOM 0 HD2 LYS A 37 1.376 8.570 7.378 1.00 51.51 H new ATOM 0 HD3 LYS A 37 0.739 8.055 5.829 1.00 51.51 H new ATOM 0 HE2 LYS A 37 1.560 10.319 5.597 1.00 22.30 H new ATOM 0 HE3 LYS A 37 -0.187 10.352 5.468 1.00 22.30 H new ATOM 0 HZ1 LYS A 37 0.934 12.074 6.947 1.00 31.45 H new ATOM 0 HZ2 LYS A 37 -0.413 11.262 7.585 1.00 31.45 H new ATOM 0 HZ3 LYS A 37 1.153 10.817 8.067 1.00 31.45 H new ATOM 607 N ALA A 38 0.515 4.540 9.032 1.00 11.31 N ATOM 608 CA ALA A 38 0.591 3.354 9.890 1.00 63.35 C ATOM 609 C ALA A 38 -0.737 3.091 10.623 1.00 4.42 C ATOM 610 O ALA A 38 -1.376 4.015 11.133 1.00 3.31 O ATOM 611 CB ALA A 38 1.732 3.506 10.892 1.00 40.11 C ATOM 0 H ALA A 38 1.131 5.301 9.318 1.00 11.31 H new ATOM 0 HA ALA A 38 0.786 2.493 9.251 1.00 63.35 H new ATOM 0 HB1 ALA A 38 1.781 2.620 11.525 1.00 40.11 H new ATOM 0 HB2 ALA A 38 2.674 3.621 10.356 1.00 40.11 H new ATOM 0 HB3 ALA A 38 1.557 4.386 11.512 1.00 40.11 H new ATOM 617 N GLY A 39 -1.144 1.824 10.673 1.00 31.31 N ATOM 618 CA GLY A 39 -2.410 1.455 11.301 1.00 35.22 C ATOM 619 C GLY A 39 -3.531 1.219 10.292 1.00 23.22 C ATOM 620 O GLY A 39 -4.465 0.461 10.557 1.00 53.45 O ATOM 0 H GLY A 39 -0.618 1.039 10.288 1.00 31.31 H new ATOM 0 HA2 GLY A 39 -2.266 0.551 11.893 1.00 35.22 H new ATOM 0 HA3 GLY A 39 -2.710 2.244 11.991 1.00 35.22 H new ATOM 624 N GLU A 40 -3.430 1.862 9.133 1.00 20.33 N ATOM 625 CA GLU A 40 -4.447 1.742 8.083 1.00 30.53 C ATOM 626 C GLU A 40 -4.494 0.334 7.460 1.00 52.43 C ATOM 627 O GLU A 40 -3.478 -0.362 7.365 1.00 42.41 O ATOM 628 CB GLU A 40 -4.205 2.802 6.992 1.00 31.21 C ATOM 629 CG GLU A 40 -4.887 4.145 7.256 1.00 53.24 C ATOM 630 CD GLU A 40 -4.533 4.764 8.603 1.00 74.22 C ATOM 631 OE1 GLU A 40 -5.173 4.405 9.615 1.00 73.52 O ATOM 632 OE2 GLU A 40 -3.641 5.633 8.651 1.00 45.23 O ATOM 0 H GLU A 40 -2.652 2.476 8.892 1.00 20.33 H new ATOM 0 HA GLU A 40 -5.416 1.912 8.552 1.00 30.53 H new ATOM 0 HB2 GLU A 40 -3.132 2.966 6.893 1.00 31.21 H new ATOM 0 HB3 GLU A 40 -4.557 2.411 6.037 1.00 31.21 H new ATOM 0 HG2 GLU A 40 -4.613 4.842 6.464 1.00 53.24 H new ATOM 0 HG3 GLU A 40 -5.967 4.009 7.202 1.00 53.24 H new ATOM 639 N ILE A 41 -5.690 -0.078 7.044 1.00 11.44 N ATOM 640 CA ILE A 41 -5.886 -1.368 6.375 1.00 20.22 C ATOM 641 C ILE A 41 -5.997 -1.174 4.852 1.00 63.25 C ATOM 642 O ILE A 41 -6.962 -0.587 4.358 1.00 40.54 O ATOM 643 CB ILE A 41 -7.159 -2.087 6.893 1.00 3.03 C ATOM 644 CG1 ILE A 41 -7.102 -2.254 8.422 1.00 55.03 C ATOM 645 CG2 ILE A 41 -7.333 -3.445 6.205 1.00 2.31 C ATOM 646 CD1 ILE A 41 -5.922 -3.070 8.913 1.00 70.21 C ATOM 0 H ILE A 41 -6.545 0.466 7.158 1.00 11.44 H new ATOM 0 HA ILE A 41 -5.019 -1.988 6.603 1.00 20.22 H new ATOM 0 HB ILE A 41 -8.024 -1.470 6.649 1.00 3.03 H new ATOM 0 HG12 ILE A 41 -7.064 -1.267 8.883 1.00 55.03 H new ATOM 0 HG13 ILE A 41 -8.023 -2.729 8.759 1.00 55.03 H new ATOM 0 HG21 ILE A 41 -8.232 -3.932 6.583 1.00 2.31 H new ATOM 0 HG22 ILE A 41 -7.425 -3.299 5.129 1.00 2.31 H new ATOM 0 HG23 ILE A 41 -6.466 -4.072 6.413 1.00 2.31 H new ATOM 0 HD11 ILE A 41 -5.955 -3.140 10.000 1.00 70.21 H new ATOM 0 HD12 ILE A 41 -5.968 -4.071 8.483 1.00 70.21 H new ATOM 0 HD13 ILE A 41 -4.994 -2.587 8.609 1.00 70.21 H new ATOM 658 N ILE A 42 -5.009 -1.664 4.114 1.00 71.54 N ATOM 659 CA ILE A 42 -4.968 -1.491 2.659 1.00 5.43 C ATOM 660 C ILE A 42 -5.537 -2.715 1.936 1.00 2.34 C ATOM 661 O ILE A 42 -5.108 -3.843 2.174 1.00 13.41 O ATOM 662 CB ILE A 42 -3.522 -1.241 2.145 1.00 22.15 C ATOM 663 CG1 ILE A 42 -2.881 -0.028 2.848 1.00 42.13 C ATOM 664 CG2 ILE A 42 -3.516 -1.041 0.624 1.00 60.44 C ATOM 665 CD1 ILE A 42 -2.455 -0.288 4.281 1.00 41.42 C ATOM 0 H ILE A 42 -4.221 -2.187 4.496 1.00 71.54 H new ATOM 0 HA ILE A 42 -5.581 -0.617 2.440 1.00 5.43 H new ATOM 0 HB ILE A 42 -2.927 -2.123 2.384 1.00 22.15 H new ATOM 0 HG12 ILE A 42 -2.010 0.291 2.275 1.00 42.13 H new ATOM 0 HG13 ILE A 42 -3.590 0.800 2.837 1.00 42.13 H new ATOM 0 HG21 ILE A 42 -2.495 -0.867 0.284 1.00 60.44 H new ATOM 0 HG22 ILE A 42 -3.914 -1.932 0.138 1.00 60.44 H new ATOM 0 HG23 ILE A 42 -4.135 -0.181 0.368 1.00 60.44 H new ATOM 0 HD11 ILE A 42 -2.014 0.617 4.700 1.00 41.42 H new ATOM 0 HD12 ILE A 42 -3.324 -0.576 4.873 1.00 41.42 H new ATOM 0 HD13 ILE A 42 -1.720 -1.092 4.302 1.00 41.42 H new ATOM 677 N THR A 43 -6.503 -2.491 1.053 1.00 74.53 N ATOM 678 CA THR A 43 -7.064 -3.575 0.245 1.00 43.43 C ATOM 679 C THR A 43 -6.302 -3.696 -1.078 1.00 13.30 C ATOM 680 O THR A 43 -6.444 -2.849 -1.959 1.00 21.11 O ATOM 681 CB THR A 43 -8.566 -3.337 -0.059 1.00 74.12 C ATOM 682 OG1 THR A 43 -9.282 -3.058 1.155 1.00 2.33 O ATOM 683 CG2 THR A 43 -9.194 -4.550 -0.745 1.00 64.11 C ATOM 0 H THR A 43 -6.915 -1.575 0.876 1.00 74.53 H new ATOM 0 HA THR A 43 -6.965 -4.496 0.819 1.00 43.43 H new ATOM 0 HB THR A 43 -8.633 -2.482 -0.732 1.00 74.12 H new ATOM 0 HG1 THR A 43 -10.228 -2.908 0.949 1.00 2.33 H new ATOM 0 HG21 THR A 43 -10.247 -4.351 -0.944 1.00 64.11 H new ATOM 0 HG22 THR A 43 -8.677 -4.744 -1.685 1.00 64.11 H new ATOM 0 HG23 THR A 43 -9.106 -5.421 -0.096 1.00 64.11 H new ATOM 691 N VAL A 44 -5.494 -4.745 -1.222 1.00 25.21 N ATOM 692 CA VAL A 44 -4.720 -4.947 -2.450 1.00 44.24 C ATOM 693 C VAL A 44 -5.522 -5.756 -3.479 1.00 4.20 C ATOM 694 O VAL A 44 -5.785 -6.947 -3.304 1.00 13.13 O ATOM 695 CB VAL A 44 -3.335 -5.605 -2.176 1.00 52.03 C ATOM 696 CG1 VAL A 44 -3.438 -6.709 -1.130 1.00 53.12 C ATOM 697 CG2 VAL A 44 -2.719 -6.152 -3.468 1.00 60.14 C ATOM 0 H VAL A 44 -5.357 -5.464 -0.511 1.00 25.21 H new ATOM 0 HA VAL A 44 -4.524 -3.960 -2.868 1.00 44.24 H new ATOM 0 HB VAL A 44 -2.680 -4.827 -1.783 1.00 52.03 H new ATOM 0 HG11 VAL A 44 -2.453 -7.146 -0.964 1.00 53.12 H new ATOM 0 HG12 VAL A 44 -3.812 -6.291 -0.195 1.00 53.12 H new ATOM 0 HG13 VAL A 44 -4.123 -7.481 -1.482 1.00 53.12 H new ATOM 0 HG21 VAL A 44 -1.753 -6.606 -3.247 1.00 60.14 H new ATOM 0 HG22 VAL A 44 -3.382 -6.902 -3.898 1.00 60.14 H new ATOM 0 HG23 VAL A 44 -2.583 -5.338 -4.180 1.00 60.14 H new ATOM 707 N LEU A 45 -5.913 -5.077 -4.555 1.00 63.02 N ATOM 708 CA LEU A 45 -6.797 -5.647 -5.574 1.00 65.54 C ATOM 709 C LEU A 45 -6.035 -6.562 -6.539 1.00 24.24 C ATOM 710 O LEU A 45 -6.550 -7.598 -6.974 1.00 10.03 O ATOM 711 CB LEU A 45 -7.465 -4.514 -6.367 1.00 11.12 C ATOM 712 CG LEU A 45 -8.141 -3.422 -5.520 1.00 55.33 C ATOM 713 CD1 LEU A 45 -8.691 -2.311 -6.410 1.00 33.02 C ATOM 714 CD2 LEU A 45 -9.249 -4.011 -4.645 1.00 61.25 C ATOM 0 H LEU A 45 -5.627 -4.117 -4.747 1.00 63.02 H new ATOM 0 HA LEU A 45 -7.551 -6.247 -5.064 1.00 65.54 H new ATOM 0 HB2 LEU A 45 -6.712 -4.044 -7.000 1.00 11.12 H new ATOM 0 HB3 LEU A 45 -8.212 -4.950 -7.030 1.00 11.12 H new ATOM 0 HG LEU A 45 -7.385 -2.992 -4.862 1.00 55.33 H new ATOM 0 HD11 LEU A 45 -9.165 -1.549 -5.791 1.00 33.02 H new ATOM 0 HD12 LEU A 45 -7.876 -1.862 -6.977 1.00 33.02 H new ATOM 0 HD13 LEU A 45 -9.426 -2.727 -7.099 1.00 33.02 H new ATOM 0 HD21 LEU A 45 -9.709 -3.217 -4.057 1.00 61.25 H new ATOM 0 HD22 LEU A 45 -10.003 -4.478 -5.278 1.00 61.25 H new ATOM 0 HD23 LEU A 45 -8.825 -4.759 -3.975 1.00 61.25 H new ATOM 726 N ASP A 46 -4.807 -6.172 -6.869 1.00 4.53 N ATOM 727 CA ASP A 46 -4.013 -6.886 -7.866 1.00 3.13 C ATOM 728 C ASP A 46 -2.633 -7.301 -7.322 1.00 40.23 C ATOM 729 O ASP A 46 -1.799 -6.459 -6.981 1.00 34.10 O ATOM 730 CB ASP A 46 -3.856 -6.012 -9.118 1.00 40.14 C ATOM 731 CG ASP A 46 -3.078 -6.698 -10.228 1.00 32.35 C ATOM 732 OD1 ASP A 46 -3.183 -7.933 -10.365 1.00 71.10 O ATOM 733 OD2 ASP A 46 -2.366 -6.003 -10.978 1.00 1.01 O ATOM 0 H ASP A 46 -4.339 -5.364 -6.460 1.00 4.53 H new ATOM 0 HA ASP A 46 -4.542 -7.804 -8.122 1.00 3.13 H new ATOM 0 HB2 ASP A 46 -4.844 -5.739 -9.490 1.00 40.14 H new ATOM 0 HB3 ASP A 46 -3.350 -5.086 -8.846 1.00 40.14 H new ATOM 738 N ASP A 47 -2.420 -8.609 -7.237 1.00 1.34 N ATOM 739 CA ASP A 47 -1.119 -9.181 -6.873 1.00 21.33 C ATOM 740 C ASP A 47 -0.343 -9.575 -8.146 1.00 22.40 C ATOM 741 O ASP A 47 -0.723 -10.514 -8.853 1.00 22.23 O ATOM 742 CB ASP A 47 -1.337 -10.395 -5.949 1.00 74.25 C ATOM 743 CG ASP A 47 -0.111 -11.293 -5.813 1.00 61.03 C ATOM 744 OD1 ASP A 47 0.833 -10.928 -5.089 1.00 54.31 O ATOM 745 OD2 ASP A 47 -0.096 -12.379 -6.429 1.00 34.35 O ATOM 0 H ASP A 47 -3.141 -9.307 -7.418 1.00 1.34 H new ATOM 0 HA ASP A 47 -0.525 -8.441 -6.336 1.00 21.33 H new ATOM 0 HB2 ASP A 47 -1.627 -10.040 -4.960 1.00 74.25 H new ATOM 0 HB3 ASP A 47 -2.169 -10.987 -6.332 1.00 74.25 H new ATOM 750 N SER A 48 0.715 -8.827 -8.461 1.00 50.02 N ATOM 751 CA SER A 48 1.537 -9.100 -9.654 1.00 51.30 C ATOM 752 C SER A 48 2.839 -9.813 -9.278 1.00 73.50 C ATOM 753 O SER A 48 3.139 -10.904 -9.775 1.00 42.33 O ATOM 754 CB SER A 48 1.869 -7.793 -10.394 1.00 71.02 C ATOM 755 OG SER A 48 0.697 -7.132 -10.846 1.00 41.13 O ATOM 0 H SER A 48 1.028 -8.027 -7.911 1.00 50.02 H new ATOM 0 HA SER A 48 0.957 -9.750 -10.309 1.00 51.30 H new ATOM 0 HB2 SER A 48 2.427 -7.131 -9.731 1.00 71.02 H new ATOM 0 HB3 SER A 48 2.515 -8.011 -11.245 1.00 71.02 H new ATOM 0 HG SER A 48 0.946 -6.305 -11.310 1.00 41.13 H new ATOM 761 N ASP A 49 3.607 -9.181 -8.401 1.00 15.41 N ATOM 762 CA ASP A 49 4.881 -9.730 -7.928 1.00 1.12 C ATOM 763 C ASP A 49 4.900 -9.784 -6.392 1.00 71.23 C ATOM 764 O ASP A 49 4.239 -8.980 -5.741 1.00 61.33 O ATOM 765 CB ASP A 49 6.047 -8.872 -8.443 1.00 64.23 C ATOM 766 CG ASP A 49 6.208 -8.943 -9.953 1.00 1.32 C ATOM 767 OD1 ASP A 49 5.381 -8.356 -10.683 1.00 31.35 O ATOM 768 OD2 ASP A 49 7.165 -9.596 -10.422 1.00 63.33 O ATOM 0 H ASP A 49 3.370 -8.276 -7.995 1.00 15.41 H new ATOM 0 HA ASP A 49 4.992 -10.744 -8.313 1.00 1.12 H new ATOM 0 HB2 ASP A 49 5.887 -7.835 -8.147 1.00 64.23 H new ATOM 0 HB3 ASP A 49 6.971 -9.200 -7.968 1.00 64.23 H new ATOM 773 N PRO A 50 5.674 -10.716 -5.794 1.00 74.22 N ATOM 774 CA PRO A 50 5.729 -10.892 -4.329 1.00 53.12 C ATOM 775 C PRO A 50 5.916 -9.569 -3.558 1.00 1.23 C ATOM 776 O PRO A 50 5.508 -9.451 -2.403 1.00 53.51 O ATOM 777 CB PRO A 50 6.941 -11.827 -4.118 1.00 31.04 C ATOM 778 CG PRO A 50 7.630 -11.901 -5.446 1.00 12.13 C ATOM 779 CD PRO A 50 6.562 -11.669 -6.476 1.00 33.34 C ATOM 0 HA PRO A 50 4.791 -11.293 -3.945 1.00 53.12 H new ATOM 0 HB2 PRO A 50 7.609 -11.435 -3.351 1.00 31.04 H new ATOM 0 HB3 PRO A 50 6.621 -12.815 -3.787 1.00 31.04 H new ATOM 0 HG2 PRO A 50 8.415 -11.149 -5.521 1.00 12.13 H new ATOM 0 HG3 PRO A 50 8.104 -12.872 -5.587 1.00 12.13 H new ATOM 0 HD2 PRO A 50 6.969 -11.257 -7.399 1.00 33.34 H new ATOM 0 HD3 PRO A 50 6.044 -12.591 -6.740 1.00 33.34 H new ATOM 787 N ASN A 51 6.559 -8.582 -4.190 1.00 60.03 N ATOM 788 CA ASN A 51 6.728 -7.248 -3.584 1.00 33.34 C ATOM 789 C ASN A 51 5.806 -6.194 -4.231 1.00 45.04 C ATOM 790 O ASN A 51 5.427 -5.217 -3.584 1.00 25.42 O ATOM 791 CB ASN A 51 8.189 -6.784 -3.688 1.00 65.13 C ATOM 792 CG ASN A 51 9.139 -7.549 -2.775 1.00 43.44 C ATOM 793 OD1 ASN A 51 8.905 -8.830 -2.586 1.00 21.24 O flip ATOM 794 ND2 ASN A 51 10.096 -6.987 -2.253 1.00 23.44 N flip ATOM 0 H ASN A 51 6.971 -8.676 -5.118 1.00 60.03 H new ATOM 0 HA ASN A 51 6.449 -7.342 -2.535 1.00 33.34 H new ATOM 0 HB2 ASN A 51 8.523 -6.893 -4.720 1.00 65.13 H new ATOM 0 HB3 ASN A 51 8.242 -5.722 -3.446 1.00 65.13 H new ATOM 0 HD21 ASN A 51 10.255 -5.993 -2.416 1.00 23.44 H new ATOM 0 HD22 ASN A 51 10.733 -7.514 -1.656 1.00 23.44 H new ATOM 801 N TRP A 52 5.450 -6.385 -5.502 1.00 2.40 N ATOM 802 CA TRP A 52 4.649 -5.392 -6.237 1.00 51.14 C ATOM 803 C TRP A 52 3.143 -5.675 -6.144 1.00 64.15 C ATOM 804 O TRP A 52 2.600 -6.497 -6.888 1.00 1.04 O ATOM 805 CB TRP A 52 5.082 -5.323 -7.710 1.00 73.15 C ATOM 806 CG TRP A 52 6.468 -4.779 -7.895 1.00 14.11 C ATOM 807 CD1 TRP A 52 7.648 -5.403 -7.597 1.00 32.22 C ATOM 808 CD2 TRP A 52 6.816 -3.490 -8.411 1.00 71.20 C ATOM 809 NE1 TRP A 52 8.702 -4.579 -7.894 1.00 4.40 N ATOM 810 CE2 TRP A 52 8.219 -3.401 -8.399 1.00 14.05 C ATOM 811 CE3 TRP A 52 6.076 -2.402 -8.888 1.00 5.34 C ATOM 812 CZ2 TRP A 52 8.898 -2.268 -8.836 1.00 12.21 C ATOM 813 CZ3 TRP A 52 6.751 -1.277 -9.323 1.00 43.32 C ATOM 814 CH2 TRP A 52 8.149 -1.218 -9.295 1.00 62.41 C ATOM 0 H TRP A 52 5.699 -7.211 -6.045 1.00 2.40 H new ATOM 0 HA TRP A 52 4.833 -4.427 -5.764 1.00 51.14 H new ATOM 0 HB2 TRP A 52 5.030 -6.321 -8.144 1.00 73.15 H new ATOM 0 HB3 TRP A 52 4.378 -4.699 -8.260 1.00 73.15 H new ATOM 0 HD1 TRP A 52 7.736 -6.399 -7.188 1.00 32.22 H new ATOM 0 HE1 TRP A 52 9.687 -4.806 -7.760 1.00 4.40 H new ATOM 0 HE3 TRP A 52 4.997 -2.441 -8.916 1.00 5.34 H new ATOM 0 HZ2 TRP A 52 9.977 -2.219 -8.814 1.00 12.21 H new ATOM 0 HZ3 TRP A 52 6.191 -0.430 -9.690 1.00 43.32 H new ATOM 0 HH2 TRP A 52 8.647 -0.325 -9.643 1.00 62.41 H new ATOM 825 N TRP A 53 2.483 -4.987 -5.214 1.00 44.20 N ATOM 826 CA TRP A 53 1.032 -5.088 -5.037 1.00 1.54 C ATOM 827 C TRP A 53 0.319 -3.777 -5.409 1.00 44.54 C ATOM 828 O TRP A 53 0.792 -2.684 -5.083 1.00 72.31 O ATOM 829 CB TRP A 53 0.703 -5.446 -3.583 1.00 60.24 C ATOM 830 CG TRP A 53 1.068 -6.850 -3.198 1.00 60.30 C ATOM 831 CD1 TRP A 53 1.393 -7.877 -4.035 1.00 23.04 C ATOM 832 CD2 TRP A 53 1.119 -7.382 -1.870 1.00 55.53 C ATOM 833 NE1 TRP A 53 1.651 -9.012 -3.308 1.00 15.14 N ATOM 834 CE2 TRP A 53 1.491 -8.736 -1.977 1.00 55.20 C ATOM 835 CE3 TRP A 53 0.892 -6.845 -0.600 1.00 44.25 C ATOM 836 CZ2 TRP A 53 1.637 -9.561 -0.864 1.00 50.40 C ATOM 837 CZ3 TRP A 53 1.037 -7.664 0.505 1.00 60.25 C ATOM 838 CH2 TRP A 53 1.408 -9.008 0.367 1.00 21.40 C ATOM 0 H TRP A 53 2.935 -4.345 -4.563 1.00 44.20 H new ATOM 0 HA TRP A 53 0.676 -5.872 -5.705 1.00 1.54 H new ATOM 0 HB2 TRP A 53 1.224 -4.753 -2.923 1.00 60.24 H new ATOM 0 HB3 TRP A 53 -0.365 -5.302 -3.418 1.00 60.24 H new ATOM 0 HD1 TRP A 53 1.440 -7.807 -5.112 1.00 23.04 H new ATOM 0 HE1 TRP A 53 1.919 -9.916 -3.697 1.00 15.14 H new ATOM 0 HE3 TRP A 53 0.609 -5.809 -0.483 1.00 44.25 H new ATOM 0 HZ2 TRP A 53 1.920 -10.598 -0.968 1.00 50.40 H new ATOM 0 HZ3 TRP A 53 0.861 -7.261 1.491 1.00 60.25 H new ATOM 0 HH2 TRP A 53 1.516 -9.620 1.250 1.00 21.40 H new ATOM 849 N LYS A 54 -0.821 -3.896 -6.088 1.00 53.54 N ATOM 850 CA LYS A 54 -1.645 -2.734 -6.443 1.00 34.54 C ATOM 851 C LYS A 54 -2.921 -2.703 -5.592 1.00 33.30 C ATOM 852 O LYS A 54 -3.766 -3.599 -5.686 1.00 41.51 O ATOM 853 CB LYS A 54 -1.996 -2.771 -7.937 1.00 53.10 C ATOM 854 CG LYS A 54 -2.698 -1.511 -8.444 1.00 60.12 C ATOM 855 CD LYS A 54 -2.968 -1.585 -9.944 1.00 55.43 C ATOM 856 CE LYS A 54 -3.543 -0.281 -10.485 1.00 61.45 C ATOM 857 NZ LYS A 54 -3.717 -0.322 -11.961 1.00 72.10 N ATOM 0 H LYS A 54 -1.199 -4.788 -6.406 1.00 53.54 H new ATOM 0 HA LYS A 54 -1.076 -1.827 -6.241 1.00 34.54 H new ATOM 0 HB2 LYS A 54 -1.081 -2.920 -8.511 1.00 53.10 H new ATOM 0 HB3 LYS A 54 -2.636 -3.632 -8.128 1.00 53.10 H new ATOM 0 HG2 LYS A 54 -3.639 -1.378 -7.910 1.00 60.12 H new ATOM 0 HG3 LYS A 54 -2.082 -0.638 -8.227 1.00 60.12 H new ATOM 0 HD2 LYS A 54 -2.041 -1.818 -10.468 1.00 55.43 H new ATOM 0 HD3 LYS A 54 -3.663 -2.400 -10.148 1.00 55.43 H new ATOM 0 HE2 LYS A 54 -4.505 -0.084 -10.011 1.00 61.45 H new ATOM 0 HE3 LYS A 54 -2.882 0.545 -10.220 1.00 61.45 H new ATOM 0 HZ1 LYS A 54 -4.110 0.583 -12.289 1.00 72.10 H new ATOM 0 HZ2 LYS A 54 -2.795 -0.484 -12.415 1.00 72.10 H new ATOM 0 HZ3 LYS A 54 -4.367 -1.094 -12.213 1.00 72.10 H new ATOM 871 N GLY A 55 -3.063 -1.671 -4.764 1.00 11.02 N ATOM 872 CA GLY A 55 -4.178 -1.614 -3.825 1.00 0.54 C ATOM 873 C GLY A 55 -4.995 -0.330 -3.913 1.00 42.14 C ATOM 874 O GLY A 55 -4.615 0.622 -4.595 1.00 31.20 O ATOM 0 H GLY A 55 -2.429 -0.873 -4.724 1.00 11.02 H new ATOM 0 HA2 GLY A 55 -4.836 -2.464 -4.005 1.00 0.54 H new ATOM 0 HA3 GLY A 55 -3.792 -1.719 -2.811 1.00 0.54 H new ATOM 878 N GLU A 56 -6.125 -0.314 -3.211 1.00 13.32 N ATOM 879 CA GLU A 56 -7.001 0.856 -3.154 1.00 44.03 C ATOM 880 C GLU A 56 -7.278 1.271 -1.698 1.00 33.40 C ATOM 881 O GLU A 56 -7.571 0.431 -0.842 1.00 22.51 O ATOM 882 CB GLU A 56 -8.333 0.565 -3.873 1.00 35.42 C ATOM 883 CG GLU A 56 -9.325 1.726 -3.828 1.00 3.41 C ATOM 884 CD GLU A 56 -10.645 1.407 -4.515 1.00 72.23 C ATOM 885 OE1 GLU A 56 -10.732 1.560 -5.752 1.00 41.24 O ATOM 886 OE2 GLU A 56 -11.605 1.013 -3.820 1.00 0.12 O ATOM 0 H GLU A 56 -6.460 -1.109 -2.666 1.00 13.32 H new ATOM 0 HA GLU A 56 -6.492 1.678 -3.658 1.00 44.03 H new ATOM 0 HB2 GLU A 56 -8.126 0.316 -4.914 1.00 35.42 H new ATOM 0 HB3 GLU A 56 -8.795 -0.313 -3.421 1.00 35.42 H new ATOM 0 HG2 GLU A 56 -9.518 1.992 -2.789 1.00 3.41 H new ATOM 0 HG3 GLU A 56 -8.876 2.599 -4.303 1.00 3.41 H new ATOM 893 N THR A 57 -7.159 2.566 -1.427 1.00 54.14 N ATOM 894 CA THR A 57 -7.502 3.138 -0.115 1.00 14.24 C ATOM 895 C THR A 57 -8.472 4.309 -0.290 1.00 73.10 C ATOM 896 O THR A 57 -8.766 4.717 -1.417 1.00 3.44 O ATOM 897 CB THR A 57 -6.251 3.657 0.643 1.00 22.45 C ATOM 898 OG1 THR A 57 -5.692 4.793 -0.045 1.00 14.33 O ATOM 899 CG2 THR A 57 -5.192 2.566 0.784 1.00 14.31 C ATOM 0 H THR A 57 -6.824 3.253 -2.103 1.00 54.14 H new ATOM 0 HA THR A 57 -7.958 2.338 0.468 1.00 14.24 H new ATOM 0 HB THR A 57 -6.566 3.955 1.643 1.00 22.45 H new ATOM 0 HG1 THR A 57 -4.760 4.918 0.233 1.00 14.33 H new ATOM 0 HG21 THR A 57 -4.330 2.963 1.319 1.00 14.31 H new ATOM 0 HG22 THR A 57 -5.608 1.725 1.339 1.00 14.31 H new ATOM 0 HG23 THR A 57 -4.882 2.230 -0.205 1.00 14.31 H new ATOM 907 N HIS A 58 -8.966 4.859 0.816 1.00 62.14 N ATOM 908 CA HIS A 58 -9.793 6.068 0.757 1.00 14.44 C ATOM 909 C HIS A 58 -8.932 7.286 0.384 1.00 43.14 C ATOM 910 O HIS A 58 -9.450 8.342 0.020 1.00 44.51 O ATOM 911 CB HIS A 58 -10.499 6.316 2.098 1.00 5.13 C ATOM 912 CG HIS A 58 -11.562 7.372 2.028 1.00 44.14 C ATOM 913 ND1 HIS A 58 -11.289 8.723 1.998 1.00 32.25 N ATOM 914 CD2 HIS A 58 -12.911 7.267 1.964 1.00 5.42 C ATOM 915 CE1 HIS A 58 -12.416 9.399 1.918 1.00 31.45 C ATOM 916 NE2 HIS A 58 -13.415 8.541 1.897 1.00 41.30 N ATOM 0 H HIS A 58 -8.812 4.494 1.756 1.00 62.14 H new ATOM 0 HA HIS A 58 -10.553 5.920 -0.010 1.00 14.44 H new ATOM 0 HB2 HIS A 58 -10.946 5.383 2.442 1.00 5.13 H new ATOM 0 HB3 HIS A 58 -9.757 6.607 2.842 1.00 5.13 H new ATOM 0 HD1 HIS A 58 -10.357 9.136 2.032 1.00 32.25 H new ATOM 0 HD2 HIS A 58 -13.483 6.351 1.965 1.00 5.42 H new ATOM 0 HE1 HIS A 58 -12.506 10.474 1.877 1.00 31.45 H new ATOM 925 N GLN A 59 -7.614 7.127 0.492 1.00 1.45 N ATOM 926 CA GLN A 59 -6.665 8.185 0.130 1.00 50.31 C ATOM 927 C GLN A 59 -6.389 8.194 -1.384 1.00 41.43 C ATOM 928 O GLN A 59 -6.176 9.252 -1.978 1.00 73.45 O ATOM 929 CB GLN A 59 -5.347 8.001 0.898 1.00 2.51 C ATOM 930 CG GLN A 59 -5.512 7.908 2.414 1.00 41.00 C ATOM 931 CD GLN A 59 -6.201 9.125 3.020 1.00 42.02 C ATOM 932 OE1 GLN A 59 -6.103 10.236 2.508 1.00 31.45 O ATOM 933 NE2 GLN A 59 -6.896 8.928 4.124 1.00 1.00 N ATOM 0 H GLN A 59 -7.174 6.271 0.829 1.00 1.45 H new ATOM 0 HA GLN A 59 -7.112 9.141 0.402 1.00 50.31 H new ATOM 0 HB2 GLN A 59 -4.855 7.096 0.541 1.00 2.51 H new ATOM 0 HB3 GLN A 59 -4.685 8.836 0.667 1.00 2.51 H new ATOM 0 HG2 GLN A 59 -6.088 7.015 2.656 1.00 41.00 H new ATOM 0 HG3 GLN A 59 -4.531 7.788 2.873 1.00 41.00 H new ATOM 0 HE21 GLN A 59 -6.960 7.993 4.527 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -7.370 9.711 4.575 1.00 1.00 H new ATOM 942 N GLY A 60 -6.383 7.009 -2.000 1.00 55.52 N ATOM 943 CA GLY A 60 -6.158 6.910 -3.440 1.00 74.03 C ATOM 944 C GLY A 60 -5.810 5.495 -3.902 1.00 55.24 C ATOM 945 O GLY A 60 -5.975 4.529 -3.156 1.00 11.41 O ATOM 0 H GLY A 60 -6.530 6.116 -1.529 1.00 55.52 H new ATOM 0 HA2 GLY A 60 -7.052 7.246 -3.964 1.00 74.03 H new ATOM 0 HA3 GLY A 60 -5.350 7.586 -3.722 1.00 74.03 H new ATOM 949 N ILE A 61 -5.340 5.374 -5.143 1.00 23.21 N ATOM 950 CA ILE A 61 -4.937 4.076 -5.714 1.00 4.01 C ATOM 951 C ILE A 61 -3.482 4.126 -6.210 1.00 51.11 C ATOM 952 O ILE A 61 -3.047 5.129 -6.783 1.00 41.44 O ATOM 953 CB ILE A 61 -5.861 3.663 -6.895 1.00 40.34 C ATOM 954 CG1 ILE A 61 -7.334 3.615 -6.442 1.00 72.23 C ATOM 955 CG2 ILE A 61 -5.433 2.312 -7.479 1.00 65.13 C ATOM 956 CD1 ILE A 61 -8.306 3.260 -7.553 1.00 43.12 C ATOM 0 H ILE A 61 -5.226 6.161 -5.781 1.00 23.21 H new ATOM 0 HA ILE A 61 -5.027 3.335 -4.919 1.00 4.01 H new ATOM 0 HB ILE A 61 -5.766 4.416 -7.677 1.00 40.34 H new ATOM 0 HG12 ILE A 61 -7.434 2.886 -5.638 1.00 72.23 H new ATOM 0 HG13 ILE A 61 -7.609 4.585 -6.028 1.00 72.23 H new ATOM 0 HG21 ILE A 61 -6.095 2.046 -8.303 1.00 65.13 H new ATOM 0 HG22 ILE A 61 -4.408 2.382 -7.844 1.00 65.13 H new ATOM 0 HG23 ILE A 61 -5.491 1.546 -6.705 1.00 65.13 H new ATOM 0 HD11 ILE A 61 -9.322 3.246 -7.157 1.00 43.12 H new ATOM 0 HD12 ILE A 61 -8.237 4.002 -8.348 1.00 43.12 H new ATOM 0 HD13 ILE A 61 -8.059 2.276 -7.952 1.00 43.12 H new ATOM 968 N GLY A 62 -2.729 3.048 -5.987 1.00 51.51 N ATOM 969 CA GLY A 62 -1.336 3.003 -6.433 1.00 24.21 C ATOM 970 C GLY A 62 -0.604 1.729 -6.018 1.00 24.34 C ATOM 971 O GLY A 62 -1.228 0.736 -5.627 1.00 51.41 O ATOM 0 H GLY A 62 -3.053 2.208 -5.508 1.00 51.51 H new ATOM 0 HA2 GLY A 62 -1.308 3.091 -7.519 1.00 24.21 H new ATOM 0 HA3 GLY A 62 -0.806 3.865 -6.029 1.00 24.21 H new ATOM 975 N LEU A 63 0.725 1.764 -6.109 1.00 2.33 N ATOM 976 CA LEU A 63 1.577 0.624 -5.755 1.00 1.04 C ATOM 977 C LEU A 63 2.321 0.875 -4.437 1.00 62.41 C ATOM 978 O LEU A 63 2.455 2.010 -3.992 1.00 54.12 O ATOM 979 CB LEU A 63 2.603 0.366 -6.872 1.00 41.23 C ATOM 980 CG LEU A 63 2.020 0.048 -8.259 1.00 73.02 C ATOM 981 CD1 LEU A 63 3.132 -0.096 -9.293 1.00 34.11 C ATOM 982 CD2 LEU A 63 1.172 -1.217 -8.215 1.00 71.31 C ATOM 0 H LEU A 63 1.243 2.582 -6.430 1.00 2.33 H new ATOM 0 HA LEU A 63 0.934 -0.247 -5.633 1.00 1.04 H new ATOM 0 HB2 LEU A 63 3.243 1.244 -6.961 1.00 41.23 H new ATOM 0 HB3 LEU A 63 3.241 -0.464 -6.568 1.00 41.23 H new ATOM 0 HG LEU A 63 1.380 0.880 -8.552 1.00 73.02 H new ATOM 0 HD11 LEU A 63 2.697 -0.321 -10.267 1.00 34.11 H new ATOM 0 HD12 LEU A 63 3.695 0.835 -9.354 1.00 34.11 H new ATOM 0 HD13 LEU A 63 3.800 -0.905 -8.999 1.00 34.11 H new ATOM 0 HD21 LEU A 63 0.771 -1.421 -9.208 1.00 71.31 H new ATOM 0 HD22 LEU A 63 1.788 -2.057 -7.893 1.00 71.31 H new ATOM 0 HD23 LEU A 63 0.350 -1.080 -7.513 1.00 71.31 H new ATOM 994 N PHE A 64 2.789 -0.193 -3.805 1.00 72.33 N ATOM 995 CA PHE A 64 3.665 -0.061 -2.638 1.00 31.14 C ATOM 996 C PHE A 64 4.715 -1.187 -2.594 1.00 61.20 C ATOM 997 O PHE A 64 4.788 -1.953 -1.631 1.00 41.43 O ATOM 998 CB PHE A 64 2.839 0.003 -1.334 1.00 24.41 C ATOM 999 CG PHE A 64 1.791 -1.079 -1.182 1.00 11.12 C ATOM 1000 CD1 PHE A 64 0.575 -0.983 -1.848 1.00 75.35 C ATOM 1001 CD2 PHE A 64 2.012 -2.177 -0.362 1.00 63.23 C ATOM 1002 CE1 PHE A 64 -0.392 -1.961 -1.700 1.00 35.14 C ATOM 1003 CE2 PHE A 64 1.047 -3.159 -0.213 1.00 12.01 C ATOM 1004 CZ PHE A 64 -0.156 -3.050 -0.882 1.00 71.15 C ATOM 0 H PHE A 64 2.582 -1.155 -4.074 1.00 72.33 H new ATOM 0 HA PHE A 64 4.209 0.879 -2.730 1.00 31.14 H new ATOM 0 HB2 PHE A 64 3.522 -0.053 -0.487 1.00 24.41 H new ATOM 0 HB3 PHE A 64 2.346 0.974 -1.282 1.00 24.41 H new ATOM 0 HD1 PHE A 64 0.383 -0.135 -2.489 1.00 75.35 H new ATOM 0 HD2 PHE A 64 2.949 -2.267 0.167 1.00 63.23 H new ATOM 0 HE1 PHE A 64 -1.332 -1.874 -2.224 1.00 35.14 H new ATOM 0 HE2 PHE A 64 1.235 -4.009 0.426 1.00 12.01 H new ATOM 0 HZ PHE A 64 -0.911 -3.814 -0.766 1.00 71.15 H new ATOM 1014 N PRO A 65 5.573 -1.278 -3.640 1.00 12.14 N ATOM 1015 CA PRO A 65 6.594 -2.337 -3.751 1.00 73.35 C ATOM 1016 C PRO A 65 7.636 -2.277 -2.630 1.00 21.14 C ATOM 1017 O PRO A 65 8.293 -3.273 -2.320 1.00 24.24 O ATOM 1018 CB PRO A 65 7.250 -2.071 -5.115 1.00 10.32 C ATOM 1019 CG PRO A 65 6.967 -0.636 -5.405 1.00 62.42 C ATOM 1020 CD PRO A 65 5.623 -0.353 -4.791 1.00 54.22 C ATOM 0 HA PRO A 65 6.151 -3.329 -3.665 1.00 73.35 H new ATOM 0 HB2 PRO A 65 8.322 -2.263 -5.082 1.00 10.32 H new ATOM 0 HB3 PRO A 65 6.834 -2.719 -5.886 1.00 10.32 H new ATOM 0 HG2 PRO A 65 7.736 0.008 -4.978 1.00 62.42 H new ATOM 0 HG3 PRO A 65 6.954 -0.449 -6.479 1.00 62.42 H new ATOM 0 HD2 PRO A 65 5.536 0.687 -4.475 1.00 54.22 H new ATOM 0 HD3 PRO A 65 4.812 -0.542 -5.494 1.00 54.22 H new ATOM 1028 N SER A 66 7.786 -1.099 -2.027 1.00 22.32 N ATOM 1029 CA SER A 66 8.689 -0.912 -0.880 1.00 33.15 C ATOM 1030 C SER A 66 8.265 -1.795 0.307 1.00 70.43 C ATOM 1031 O SER A 66 9.061 -2.072 1.203 1.00 32.42 O ATOM 1032 CB SER A 66 8.703 0.565 -0.454 1.00 54.24 C ATOM 1033 OG SER A 66 9.004 1.418 -1.554 1.00 0.13 O ATOM 0 H SER A 66 7.293 -0.252 -2.312 1.00 22.32 H new ATOM 0 HA SER A 66 9.692 -1.208 -1.187 1.00 33.15 H new ATOM 0 HB2 SER A 66 7.733 0.835 -0.037 1.00 54.24 H new ATOM 0 HB3 SER A 66 9.441 0.711 0.335 1.00 54.24 H new ATOM 0 HG SER A 66 9.004 2.351 -1.254 1.00 0.13 H new ATOM 1039 N ASN A 67 6.997 -2.217 0.293 1.00 42.15 N ATOM 1040 CA ASN A 67 6.429 -3.135 1.297 1.00 71.20 C ATOM 1041 C ASN A 67 6.709 -2.706 2.751 1.00 22.24 C ATOM 1042 O ASN A 67 7.600 -3.235 3.426 1.00 44.10 O ATOM 1043 CB ASN A 67 6.897 -4.578 1.056 1.00 21.53 C ATOM 1044 CG ASN A 67 6.151 -5.571 1.932 1.00 23.44 C ATOM 1045 OD1 ASN A 67 5.009 -5.341 2.317 1.00 55.44 O ATOM 1046 ND2 ASN A 67 6.784 -6.676 2.256 1.00 71.34 N ATOM 0 H ASN A 67 6.326 -1.931 -0.420 1.00 42.15 H new ATOM 0 HA ASN A 67 5.348 -3.087 1.166 1.00 71.20 H new ATOM 0 HB2 ASN A 67 6.749 -4.837 0.008 1.00 21.53 H new ATOM 0 HB3 ASN A 67 7.966 -4.651 1.255 1.00 21.53 H new ATOM 0 HD21 ASN A 67 6.326 -7.372 2.844 1.00 71.34 H new ATOM 0 HD22 ASN A 67 7.733 -6.837 1.920 1.00 71.34 H new ATOM 1053 N PHE A 68 5.949 -1.722 3.210 1.00 42.34 N ATOM 1054 CA PHE A 68 5.986 -1.270 4.610 1.00 63.02 C ATOM 1055 C PHE A 68 4.709 -1.709 5.347 1.00 0.32 C ATOM 1056 O PHE A 68 4.294 -1.107 6.343 1.00 10.43 O ATOM 1057 CB PHE A 68 6.165 0.258 4.654 1.00 63.14 C ATOM 1058 CG PHE A 68 5.581 0.969 3.457 1.00 51.54 C ATOM 1059 CD1 PHE A 68 4.219 1.215 3.370 1.00 3.43 C ATOM 1060 CD2 PHE A 68 6.397 1.373 2.407 1.00 40.55 C ATOM 1061 CE1 PHE A 68 3.688 1.849 2.264 1.00 73.11 C ATOM 1062 CE2 PHE A 68 5.866 2.009 1.303 1.00 22.13 C ATOM 1063 CZ PHE A 68 4.510 2.247 1.231 1.00 55.42 C ATOM 0 H PHE A 68 5.286 -1.209 2.629 1.00 42.34 H new ATOM 0 HA PHE A 68 6.834 -1.729 5.119 1.00 63.02 H new ATOM 0 HB2 PHE A 68 5.697 0.644 5.560 1.00 63.14 H new ATOM 0 HB3 PHE A 68 7.228 0.489 4.721 1.00 63.14 H new ATOM 0 HD1 PHE A 68 3.567 0.908 4.175 1.00 3.43 H new ATOM 0 HD2 PHE A 68 7.460 1.187 2.455 1.00 40.55 H new ATOM 0 HE1 PHE A 68 2.625 2.034 2.208 1.00 73.11 H new ATOM 0 HE2 PHE A 68 6.513 2.320 0.496 1.00 22.13 H new ATOM 0 HZ PHE A 68 4.093 2.744 0.368 1.00 55.42 H new ATOM 1073 N VAL A 69 4.108 -2.789 4.849 1.00 10.11 N ATOM 1074 CA VAL A 69 2.881 -3.354 5.419 1.00 14.14 C ATOM 1075 C VAL A 69 3.106 -4.807 5.869 1.00 20.23 C ATOM 1076 O VAL A 69 4.214 -5.336 5.759 1.00 23.43 O ATOM 1077 CB VAL A 69 1.719 -3.313 4.389 1.00 61.05 C ATOM 1078 CG1 VAL A 69 1.393 -1.878 3.984 1.00 31.12 C ATOM 1079 CG2 VAL A 69 2.055 -4.159 3.158 1.00 44.33 C ATOM 0 H VAL A 69 4.457 -3.299 4.038 1.00 10.11 H new ATOM 0 HA VAL A 69 2.613 -2.747 6.284 1.00 14.14 H new ATOM 0 HB VAL A 69 0.835 -3.737 4.865 1.00 61.05 H new ATOM 0 HG11 VAL A 69 0.576 -1.880 3.262 1.00 31.12 H new ATOM 0 HG12 VAL A 69 1.097 -1.309 4.866 1.00 31.12 H new ATOM 0 HG13 VAL A 69 2.273 -1.418 3.534 1.00 31.12 H new ATOM 0 HG21 VAL A 69 1.227 -4.116 2.450 1.00 44.33 H new ATOM 0 HG22 VAL A 69 2.957 -3.771 2.685 1.00 44.33 H new ATOM 0 HG23 VAL A 69 2.220 -5.193 3.461 1.00 44.33 H new ATOM 1089 N THR A 70 2.059 -5.449 6.385 1.00 33.32 N ATOM 1090 CA THR A 70 2.138 -6.864 6.778 1.00 3.25 C ATOM 1091 C THR A 70 0.792 -7.573 6.589 1.00 22.15 C ATOM 1092 O THR A 70 -0.256 -6.931 6.505 1.00 71.30 O ATOM 1093 CB THR A 70 2.593 -7.038 8.248 1.00 64.33 C ATOM 1094 OG1 THR A 70 2.856 -8.424 8.514 1.00 50.24 O ATOM 1095 CG2 THR A 70 1.532 -6.525 9.220 1.00 71.32 C ATOM 0 H THR A 70 1.148 -5.018 6.542 1.00 33.32 H new ATOM 0 HA THR A 70 2.884 -7.317 6.125 1.00 3.25 H new ATOM 0 HB THR A 70 3.502 -6.454 8.392 1.00 64.33 H new ATOM 0 HG1 THR A 70 3.145 -8.529 9.444 1.00 50.24 H new ATOM 0 HG21 THR A 70 1.880 -6.661 10.244 1.00 71.32 H new ATOM 0 HG22 THR A 70 1.351 -5.466 9.036 1.00 71.32 H new ATOM 0 HG23 THR A 70 0.606 -7.082 9.075 1.00 71.32 H new ATOM 1103 N ALA A 71 0.823 -8.903 6.545 1.00 15.10 N ATOM 1104 CA ALA A 71 -0.387 -9.701 6.310 1.00 55.35 C ATOM 1105 C ALA A 71 -0.586 -10.765 7.401 1.00 65.40 C ATOM 1106 O ALA A 71 0.206 -11.705 7.509 1.00 30.21 O ATOM 1107 CB ALA A 71 -0.327 -10.357 4.933 1.00 62.01 C ATOM 0 H ALA A 71 1.672 -9.455 6.669 1.00 15.10 H new ATOM 0 HA ALA A 71 -1.242 -9.027 6.347 1.00 55.35 H new ATOM 0 HB1 ALA A 71 -1.230 -10.946 4.771 1.00 62.01 H new ATOM 0 HB2 ALA A 71 -0.254 -9.586 4.166 1.00 62.01 H new ATOM 0 HB3 ALA A 71 0.546 -11.008 4.878 1.00 62.01 H new ATOM 1113 N ASP A 72 -1.652 -10.598 8.195 1.00 61.22 N ATOM 1114 CA ASP A 72 -2.020 -11.543 9.270 1.00 13.30 C ATOM 1115 C ASP A 72 -0.998 -11.543 10.433 1.00 41.23 C ATOM 1116 O ASP A 72 -1.258 -10.881 11.464 1.00 38.30 O ATOM 1117 CB ASP A 72 -2.204 -12.958 8.697 1.00 30.34 C ATOM 1118 CG ASP A 72 -2.684 -13.956 9.740 1.00 15.12 C ATOM 1119 OD1 ASP A 72 -3.888 -13.945 10.067 1.00 61.41 O ATOM 1120 OD2 ASP A 72 -1.861 -14.760 10.234 1.00 60.42 O ATOM 1121 OXT ASP A 72 0.061 -12.197 10.316 1.00 38.30 O ATOM 0 H ASP A 72 -2.287 -9.804 8.114 1.00 61.22 H new ATOM 0 HA ASP A 72 -2.968 -11.206 9.689 1.00 13.30 H new ATOM 0 HB2 ASP A 72 -2.921 -12.923 7.877 1.00 30.34 H new ATOM 0 HB3 ASP A 72 -1.258 -13.302 8.279 1.00 30.34 H new TER 1126 ASP A 72