USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 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 8 HIS : no HD1:sc= 0.689 K(o=1.4,f=-4.7!) USER MOD Set 1.2: A 12 ASN : amide:sc= 0.727 K(o=1.4,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.032) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.21) USER MOD Single : A 5 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.45) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) 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=-0.0036) USER MOD Single : A 11 MET CE :methyl 170:sc= 0 (180deg=-0.124) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.897 X(o=-0.9,f=-0.82) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.65) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.628 USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -0.0334 (180deg=-0.244) 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -54:sc= 1.65 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.47) USER MOD Single : A 66 SER OG : rot 139:sc= 0.859 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 70 THR OG1 : rot -111:sc= 0.0384 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.699 -8.060 -14.976 1.00 62.24 N ATOM 2 CA MET A 1 -11.504 -6.893 -14.516 1.00 22.21 C ATOM 3 C MET A 1 -10.945 -5.572 -15.072 1.00 64.34 C ATOM 4 O MET A 1 -9.836 -5.162 -14.731 1.00 53.11 O ATOM 5 CB MET A 1 -11.556 -6.850 -12.981 1.00 23.42 C ATOM 6 CG MET A 1 -12.329 -8.006 -12.363 1.00 41.33 C ATOM 7 SD MET A 1 -14.042 -8.067 -12.932 1.00 25.13 S ATOM 8 CE MET A 1 -14.639 -9.528 -12.084 1.00 20.12 C ATOM 0 H1 MET A 1 -11.158 -8.941 -14.669 1.00 62.24 H new ATOM 0 H2 MET A 1 -10.631 -8.048 -16.014 1.00 62.24 H new ATOM 0 H3 MET A 1 -9.745 -8.007 -14.566 1.00 62.24 H new ATOM 0 HA MET A 1 -12.517 -7.014 -14.899 1.00 22.21 H new ATOM 0 HB2 MET A 1 -10.538 -6.856 -12.591 1.00 23.42 H new ATOM 0 HB3 MET A 1 -12.012 -5.911 -12.668 1.00 23.42 H new ATOM 0 HG2 MET A 1 -11.833 -8.945 -12.609 1.00 41.33 H new ATOM 0 HG3 MET A 1 -12.312 -7.912 -11.277 1.00 41.33 H new ATOM 0 HE1 MET A 1 -15.686 -9.694 -12.338 1.00 20.12 H new ATOM 0 HE2 MET A 1 -14.050 -10.393 -12.390 1.00 20.12 H new ATOM 0 HE3 MET A 1 -14.545 -9.388 -11.007 1.00 20.12 H new ATOM 20 N GLY A 2 -11.726 -4.913 -15.932 1.00 64.42 N ATOM 21 CA GLY A 2 -11.295 -3.646 -16.524 1.00 54.41 C ATOM 22 C GLY A 2 -11.940 -3.363 -17.879 1.00 54.23 C ATOM 23 O GLY A 2 -12.793 -2.482 -17.997 1.00 34.35 O ATOM 0 H GLY A 2 -12.648 -5.231 -16.230 1.00 64.42 H new ATOM 0 HA2 GLY A 2 -11.534 -2.833 -15.839 1.00 54.41 H new ATOM 0 HA3 GLY A 2 -10.211 -3.657 -16.640 1.00 54.41 H new ATOM 27 N HIS A 3 -11.515 -4.104 -18.906 1.00 65.23 N ATOM 28 CA HIS A 3 -12.068 -3.965 -20.269 1.00 71.12 C ATOM 29 C HIS A 3 -11.907 -2.533 -20.812 1.00 44.53 C ATOM 30 O HIS A 3 -12.827 -1.980 -21.422 1.00 72.22 O ATOM 31 CB HIS A 3 -13.551 -4.370 -20.294 1.00 71.24 C ATOM 32 CG HIS A 3 -13.797 -5.795 -19.906 1.00 64.32 C ATOM 33 ND1 HIS A 3 -14.904 -6.197 -19.192 1.00 32.44 N ATOM 34 CD2 HIS A 3 -13.083 -6.922 -20.149 1.00 24.35 C ATOM 35 CE1 HIS A 3 -14.859 -7.501 -19.007 1.00 44.55 C ATOM 36 NE2 HIS A 3 -13.766 -7.961 -19.577 1.00 2.41 N ATOM 0 H HIS A 3 -10.785 -4.812 -18.825 1.00 65.23 H new ATOM 0 HA HIS A 3 -11.500 -4.634 -20.916 1.00 71.12 H new ATOM 0 HB2 HIS A 3 -14.107 -3.719 -19.619 1.00 71.24 H new ATOM 0 HB3 HIS A 3 -13.946 -4.203 -21.296 1.00 71.24 H new ATOM 0 HD2 HIS A 3 -12.151 -6.987 -20.691 1.00 24.35 H new ATOM 0 HE1 HIS A 3 -15.593 -8.091 -18.478 1.00 44.55 H new ATOM 0 HE2 HIS A 3 -13.474 -8.938 -19.590 1.00 2.41 H new ATOM 45 N HIS A 4 -10.729 -1.945 -20.587 1.00 44.11 N ATOM 46 CA HIS A 4 -10.434 -0.571 -21.021 1.00 73.34 C ATOM 47 C HIS A 4 -11.348 0.442 -20.301 1.00 64.24 C ATOM 48 O HIS A 4 -11.468 1.596 -20.717 1.00 71.00 O ATOM 49 CB HIS A 4 -10.572 -0.461 -22.552 1.00 63.21 C ATOM 50 CG HIS A 4 -10.036 0.817 -23.132 1.00 63.45 C ATOM 51 ND1 HIS A 4 -8.692 1.044 -23.340 1.00 70.24 N ATOM 52 CD2 HIS A 4 -10.671 1.935 -23.556 1.00 61.34 C ATOM 53 CE1 HIS A 4 -8.526 2.241 -23.865 1.00 1.24 C ATOM 54 NE2 HIS A 4 -9.709 2.802 -24.007 1.00 12.13 N ATOM 0 H HIS A 4 -9.956 -2.401 -20.103 1.00 44.11 H new ATOM 0 HA HIS A 4 -9.406 -0.331 -20.751 1.00 73.34 H new ATOM 0 HB2 HIS A 4 -10.053 -1.301 -23.013 1.00 63.21 H new ATOM 0 HB3 HIS A 4 -11.625 -0.553 -22.817 1.00 63.21 H new ATOM 0 HD2 HIS A 4 -11.736 2.111 -23.542 1.00 61.34 H new ATOM 0 HE1 HIS A 4 -7.580 2.687 -24.134 1.00 1.24 H new ATOM 0 HE2 HIS A 4 -9.882 3.731 -24.390 1.00 12.13 H new ATOM 63 N HIS A 5 -11.969 -0.007 -19.204 1.00 64.03 N ATOM 64 CA HIS A 5 -12.908 0.813 -18.421 1.00 22.31 C ATOM 65 C HIS A 5 -14.176 1.135 -19.241 1.00 2.35 C ATOM 66 O HIS A 5 -14.934 2.056 -18.920 1.00 72.34 O ATOM 67 CB HIS A 5 -12.221 2.101 -17.935 1.00 63.43 C ATOM 68 CG HIS A 5 -12.953 2.800 -16.830 1.00 64.52 C ATOM 69 ND1 HIS A 5 -13.734 3.916 -17.031 1.00 41.33 N ATOM 70 CD2 HIS A 5 -13.007 2.544 -15.501 1.00 65.14 C ATOM 71 CE1 HIS A 5 -14.232 4.318 -15.880 1.00 30.02 C ATOM 72 NE2 HIS A 5 -13.808 3.504 -14.935 1.00 4.21 N ATOM 0 H HIS A 5 -11.837 -0.948 -18.832 1.00 64.03 H new ATOM 0 HA HIS A 5 -13.216 0.241 -17.546 1.00 22.31 H new ATOM 0 HB2 HIS A 5 -11.215 1.858 -17.594 1.00 63.43 H new ATOM 0 HB3 HIS A 5 -12.116 2.785 -18.777 1.00 63.43 H new ATOM 0 HD2 HIS A 5 -12.512 1.735 -14.983 1.00 65.14 H new ATOM 0 HE1 HIS A 5 -14.879 5.171 -15.735 1.00 30.02 H new ATOM 0 HE2 HIS A 5 -14.038 3.576 -13.944 1.00 4.21 H new ATOM 81 N HIS A 6 -14.412 0.342 -20.288 1.00 31.21 N ATOM 82 CA HIS A 6 -15.557 0.539 -21.188 1.00 65.54 C ATOM 83 C HIS A 6 -16.758 -0.328 -20.778 1.00 61.14 C ATOM 84 O HIS A 6 -16.627 -1.539 -20.600 1.00 10.12 O ATOM 85 CB HIS A 6 -15.146 0.205 -22.631 1.00 31.35 C ATOM 86 CG HIS A 6 -16.257 0.366 -23.626 1.00 4.41 C ATOM 87 ND1 HIS A 6 -17.004 -0.690 -24.102 1.00 11.15 N ATOM 88 CD2 HIS A 6 -16.741 1.468 -24.247 1.00 44.53 C ATOM 89 CE1 HIS A 6 -17.896 -0.247 -24.962 1.00 1.35 C ATOM 90 NE2 HIS A 6 -17.759 1.058 -25.072 1.00 12.22 N ATOM 0 H HIS A 6 -13.821 -0.451 -20.537 1.00 31.21 H new ATOM 0 HA HIS A 6 -15.860 1.584 -21.120 1.00 65.54 H new ATOM 0 HB2 HIS A 6 -14.315 0.847 -22.921 1.00 31.35 H new ATOM 0 HB3 HIS A 6 -14.783 -0.822 -22.668 1.00 31.35 H new ATOM 0 HD2 HIS A 6 -16.391 2.481 -24.117 1.00 44.53 H new ATOM 0 HE1 HIS A 6 -18.619 -0.852 -25.489 1.00 1.35 H new ATOM 0 HE2 HIS A 6 -18.318 1.665 -25.672 1.00 12.22 H new ATOM 99 N HIS A 7 -17.926 0.307 -20.644 1.00 44.31 N ATOM 100 CA HIS A 7 -19.178 -0.388 -20.307 1.00 42.33 C ATOM 101 C HIS A 7 -19.094 -1.106 -18.949 1.00 34.42 C ATOM 102 O HIS A 7 -18.685 -2.265 -18.865 1.00 44.14 O ATOM 103 CB HIS A 7 -19.562 -1.376 -21.421 1.00 3.10 C ATOM 104 CG HIS A 7 -20.854 -2.093 -21.176 1.00 13.45 C ATOM 105 ND1 HIS A 7 -22.082 -1.467 -21.194 1.00 4.11 N ATOM 106 CD2 HIS A 7 -21.108 -3.394 -20.898 1.00 35.51 C ATOM 107 CE1 HIS A 7 -23.029 -2.345 -20.941 1.00 43.14 C ATOM 108 NE2 HIS A 7 -22.467 -3.522 -20.757 1.00 3.24 N ATOM 0 H HIS A 7 -18.033 1.314 -20.765 1.00 44.31 H new ATOM 0 HA HIS A 7 -19.958 0.369 -20.223 1.00 42.33 H new ATOM 0 HB2 HIS A 7 -19.631 -0.835 -22.365 1.00 3.10 H new ATOM 0 HB3 HIS A 7 -18.765 -2.111 -21.532 1.00 3.10 H new ATOM 0 HD2 HIS A 7 -20.377 -4.184 -20.805 1.00 35.51 H new ATOM 0 HE1 HIS A 7 -24.087 -2.136 -20.892 1.00 43.14 H new ATOM 0 HE2 HIS A 7 -22.962 -4.388 -20.544 1.00 3.24 H new ATOM 117 N HIS A 8 -19.487 -0.409 -17.891 1.00 61.04 N ATOM 118 CA HIS A 8 -19.431 -0.964 -16.535 1.00 41.33 C ATOM 119 C HIS A 8 -20.831 -1.066 -15.910 1.00 53.01 C ATOM 120 O HIS A 8 -21.570 -0.078 -15.848 1.00 10.03 O ATOM 121 CB HIS A 8 -18.515 -0.098 -15.653 1.00 14.04 C ATOM 122 CG HIS A 8 -18.400 -0.572 -14.230 1.00 62.31 C ATOM 123 ND1 HIS A 8 -17.706 -1.709 -13.867 1.00 54.40 N ATOM 124 CD2 HIS A 8 -18.891 -0.055 -13.076 1.00 0.13 C ATOM 125 CE1 HIS A 8 -17.778 -1.870 -12.559 1.00 72.43 C ATOM 126 NE2 HIS A 8 -18.487 -0.883 -12.057 1.00 44.21 N ATOM 0 H HIS A 8 -19.849 0.543 -17.941 1.00 61.04 H new ATOM 0 HA HIS A 8 -19.023 -1.973 -16.599 1.00 41.33 H new ATOM 0 HB2 HIS A 8 -17.520 -0.073 -16.097 1.00 14.04 H new ATOM 0 HB3 HIS A 8 -18.890 0.925 -15.654 1.00 14.04 H new ATOM 0 HD2 HIS A 8 -19.488 0.840 -12.977 1.00 0.13 H new ATOM 0 HE1 HIS A 8 -17.330 -2.676 -11.996 1.00 72.43 H new ATOM 0 HE2 HIS A 8 -18.703 -0.753 -11.069 1.00 44.21 H new ATOM 135 N SER A 9 -21.191 -2.267 -15.467 1.00 54.34 N ATOM 136 CA SER A 9 -22.445 -2.483 -14.731 1.00 64.44 C ATOM 137 C SER A 9 -22.474 -1.645 -13.445 1.00 21.33 C ATOM 138 O SER A 9 -21.464 -1.535 -12.752 1.00 1.02 O ATOM 139 CB SER A 9 -22.611 -3.968 -14.368 1.00 32.24 C ATOM 140 OG SER A 9 -22.630 -4.796 -15.525 1.00 30.55 O ATOM 0 H SER A 9 -20.635 -3.111 -15.602 1.00 54.34 H new ATOM 0 HA SER A 9 -23.266 -2.175 -15.379 1.00 64.44 H new ATOM 0 HB2 SER A 9 -21.795 -4.276 -13.714 1.00 32.24 H new ATOM 0 HB3 SER A 9 -23.536 -4.104 -13.808 1.00 32.24 H new ATOM 0 HG SER A 9 -22.735 -5.732 -15.255 1.00 30.55 H new ATOM 146 N HIS A 10 -23.626 -1.058 -13.127 1.00 53.14 N ATOM 147 CA HIS A 10 -23.756 -0.244 -11.916 1.00 22.43 C ATOM 148 C HIS A 10 -23.603 -1.105 -10.651 1.00 51.54 C ATOM 149 O HIS A 10 -23.249 -0.602 -9.585 1.00 4.01 O ATOM 150 CB HIS A 10 -25.097 0.496 -11.906 1.00 30.42 C ATOM 151 CG HIS A 10 -25.234 1.457 -10.764 1.00 31.31 C ATOM 152 ND1 HIS A 10 -26.039 1.225 -9.671 1.00 3.31 N ATOM 153 CD2 HIS A 10 -24.652 2.660 -10.547 1.00 34.02 C ATOM 154 CE1 HIS A 10 -25.946 2.240 -8.835 1.00 40.13 C ATOM 155 NE2 HIS A 10 -25.112 3.122 -9.343 1.00 21.55 N ATOM 0 H HIS A 10 -24.477 -1.128 -13.684 1.00 53.14 H new ATOM 0 HA HIS A 10 -22.954 0.494 -11.919 1.00 22.43 H new ATOM 0 HB2 HIS A 10 -25.212 1.039 -12.844 1.00 30.42 H new ATOM 0 HB3 HIS A 10 -25.906 -0.233 -11.858 1.00 30.42 H new ATOM 0 HD2 HIS A 10 -23.955 3.162 -11.202 1.00 34.02 H new ATOM 0 HE1 HIS A 10 -26.466 2.332 -7.893 1.00 40.13 H new ATOM 0 HE2 HIS A 10 -24.850 4.007 -8.910 1.00 21.55 H new ATOM 164 N MET A 11 -23.889 -2.402 -10.780 1.00 53.30 N ATOM 165 CA MET A 11 -23.643 -3.361 -9.696 1.00 42.10 C ATOM 166 C MET A 11 -22.143 -3.664 -9.566 1.00 34.35 C ATOM 167 O MET A 11 -21.577 -4.431 -10.352 1.00 4.52 O ATOM 168 CB MET A 11 -24.429 -4.666 -9.934 1.00 15.35 C ATOM 169 CG MET A 11 -24.020 -5.815 -9.012 1.00 32.11 C ATOM 170 SD MET A 11 -24.193 -5.412 -7.259 1.00 44.14 S ATOM 171 CE MET A 11 -25.975 -5.321 -7.101 1.00 74.11 C ATOM 0 H MET A 11 -24.291 -2.814 -11.622 1.00 53.30 H new ATOM 0 HA MET A 11 -23.988 -2.911 -8.765 1.00 42.10 H new ATOM 0 HB2 MET A 11 -25.492 -4.467 -9.800 1.00 15.35 H new ATOM 0 HB3 MET A 11 -24.291 -4.978 -10.969 1.00 15.35 H new ATOM 0 HG2 MET A 11 -24.629 -6.690 -9.239 1.00 32.11 H new ATOM 0 HG3 MET A 11 -22.984 -6.086 -9.216 1.00 32.11 H new ATOM 0 HE1 MET A 11 -26.244 -5.257 -6.047 1.00 74.11 H new ATOM 0 HE2 MET A 11 -26.342 -4.438 -7.624 1.00 74.11 H new ATOM 0 HE3 MET A 11 -26.425 -6.213 -7.536 1.00 74.11 H new ATOM 181 N ASN A 12 -21.496 -3.051 -8.582 1.00 44.25 N ATOM 182 CA ASN A 12 -20.073 -3.293 -8.331 1.00 72.41 C ATOM 183 C ASN A 12 -19.869 -4.598 -7.550 1.00 20.33 C ATOM 184 O ASN A 12 -19.567 -4.590 -6.354 1.00 24.34 O ATOM 185 CB ASN A 12 -19.451 -2.108 -7.588 1.00 44.03 C ATOM 186 CG ASN A 12 -19.533 -0.826 -8.398 1.00 41.42 C ATOM 187 OD1 ASN A 12 -18.644 -0.513 -9.185 1.00 40.41 O ATOM 188 ND2 ASN A 12 -20.600 -0.075 -8.217 1.00 72.14 N ATOM 0 H ASN A 12 -21.929 -2.383 -7.944 1.00 44.25 H new ATOM 0 HA ASN A 12 -19.569 -3.397 -9.292 1.00 72.41 H new ATOM 0 HB2 ASN A 12 -19.961 -1.969 -6.635 1.00 44.03 H new ATOM 0 HB3 ASN A 12 -18.408 -2.328 -7.362 1.00 44.03 H new ATOM 0 HD21 ASN A 12 -20.706 0.795 -8.739 1.00 72.14 H new ATOM 0 HD22 ASN A 12 -21.321 -0.364 -7.555 1.00 72.14 H new ATOM 195 N HIS A 13 -20.066 -5.718 -8.239 1.00 52.02 N ATOM 196 CA HIS A 13 -19.948 -7.046 -7.632 1.00 31.35 C ATOM 197 C HIS A 13 -18.535 -7.290 -7.078 1.00 51.51 C ATOM 198 O HIS A 13 -17.544 -7.188 -7.809 1.00 71.14 O ATOM 199 CB HIS A 13 -20.307 -8.120 -8.666 1.00 44.51 C ATOM 200 CG HIS A 13 -20.220 -9.522 -8.142 1.00 10.22 C ATOM 201 ND1 HIS A 13 -21.082 -10.024 -7.191 1.00 54.44 N ATOM 202 CD2 HIS A 13 -19.363 -10.531 -8.436 1.00 73.32 C ATOM 203 CE1 HIS A 13 -20.760 -11.271 -6.920 1.00 60.34 C ATOM 204 NE2 HIS A 13 -19.722 -11.604 -7.660 1.00 51.34 N ATOM 0 H HIS A 13 -20.311 -5.734 -9.229 1.00 52.02 H new ATOM 0 HA HIS A 13 -20.643 -7.101 -6.794 1.00 31.35 H new ATOM 0 HB2 HIS A 13 -21.320 -7.939 -9.026 1.00 44.51 H new ATOM 0 HB3 HIS A 13 -19.642 -8.021 -9.524 1.00 44.51 H new ATOM 0 HD2 HIS A 13 -18.551 -10.496 -9.147 1.00 73.32 H new ATOM 0 HE1 HIS A 13 -21.262 -11.913 -6.211 1.00 60.34 H new ATOM 0 HE2 HIS A 13 -19.260 -12.513 -7.657 1.00 51.34 H new ATOM 213 N GLN A 14 -18.456 -7.617 -5.788 1.00 20.05 N ATOM 214 CA GLN A 14 -17.171 -7.858 -5.119 1.00 11.32 C ATOM 215 C GLN A 14 -16.595 -9.243 -5.465 1.00 75.41 C ATOM 216 O GLN A 14 -17.227 -10.043 -6.159 1.00 43.34 O ATOM 217 CB GLN A 14 -17.330 -7.733 -3.593 1.00 63.42 C ATOM 218 CG GLN A 14 -18.301 -8.745 -2.988 1.00 14.24 C ATOM 219 CD GLN A 14 -18.272 -8.747 -1.469 1.00 13.31 C ATOM 220 OE1 GLN A 14 -17.507 -9.481 -0.853 1.00 31.44 O ATOM 221 NE2 GLN A 14 -19.105 -7.936 -0.853 1.00 3.45 N ATOM 0 H GLN A 14 -19.269 -7.722 -5.181 1.00 20.05 H new ATOM 0 HA GLN A 14 -16.473 -7.102 -5.478 1.00 11.32 H new ATOM 0 HB2 GLN A 14 -16.354 -7.856 -3.124 1.00 63.42 H new ATOM 0 HB3 GLN A 14 -17.674 -6.727 -3.354 1.00 63.42 H new ATOM 0 HG2 GLN A 14 -19.312 -8.521 -3.328 1.00 14.24 H new ATOM 0 HG3 GLN A 14 -18.055 -9.742 -3.354 1.00 14.24 H new ATOM 0 HE21 GLN A 14 -19.729 -7.338 -1.395 1.00 3.45 H new ATOM 0 HE22 GLN A 14 -19.127 -7.905 0.166 1.00 3.45 H new ATOM 230 N HIS A 15 -15.396 -9.516 -4.956 1.00 43.54 N ATOM 231 CA HIS A 15 -14.710 -10.790 -5.197 1.00 64.24 C ATOM 232 C HIS A 15 -13.631 -11.028 -4.121 1.00 61.04 C ATOM 233 O HIS A 15 -13.362 -10.141 -3.310 1.00 14.04 O ATOM 234 CB HIS A 15 -14.088 -10.790 -6.610 1.00 52.41 C ATOM 235 CG HIS A 15 -13.517 -12.109 -7.038 1.00 11.43 C ATOM 236 ND1 HIS A 15 -14.296 -13.182 -7.413 1.00 44.44 N ATOM 237 CD2 HIS A 15 -12.232 -12.534 -7.143 1.00 64.24 C ATOM 238 CE1 HIS A 15 -13.524 -14.198 -7.730 1.00 63.35 C ATOM 239 NE2 HIS A 15 -12.270 -13.834 -7.575 1.00 22.53 N ATOM 0 H HIS A 15 -14.873 -8.867 -4.368 1.00 43.54 H new ATOM 0 HA HIS A 15 -15.433 -11.603 -5.136 1.00 64.24 H new ATOM 0 HB2 HIS A 15 -14.850 -10.488 -7.329 1.00 52.41 H new ATOM 0 HB3 HIS A 15 -13.300 -10.038 -6.646 1.00 52.41 H new ATOM 0 HD2 HIS A 15 -11.346 -11.956 -6.927 1.00 64.24 H new ATOM 0 HE1 HIS A 15 -13.863 -15.168 -8.062 1.00 63.35 H new ATOM 0 HE2 HIS A 15 -11.456 -14.424 -7.748 1.00 22.53 H new ATOM 248 N GLU A 16 -13.044 -12.228 -4.108 1.00 4.03 N ATOM 249 CA GLU A 16 -11.946 -12.575 -3.182 1.00 53.34 C ATOM 250 C GLU A 16 -10.921 -11.431 -3.029 1.00 1.52 C ATOM 251 O GLU A 16 -10.038 -11.257 -3.870 1.00 41.21 O ATOM 252 CB GLU A 16 -11.234 -13.842 -3.685 1.00 35.14 C ATOM 253 CG GLU A 16 -12.143 -15.061 -3.799 1.00 41.44 C ATOM 254 CD GLU A 16 -11.512 -16.182 -4.607 1.00 41.45 C ATOM 255 OE1 GLU A 16 -10.701 -16.945 -4.047 1.00 21.22 O ATOM 256 OE2 GLU A 16 -11.813 -16.294 -5.816 1.00 52.35 O ATOM 0 H GLU A 16 -13.310 -12.988 -4.734 1.00 4.03 H new ATOM 0 HA GLU A 16 -12.387 -12.750 -2.201 1.00 53.34 H new ATOM 0 HB2 GLU A 16 -10.795 -13.636 -4.661 1.00 35.14 H new ATOM 0 HB3 GLU A 16 -10.412 -14.077 -3.009 1.00 35.14 H new ATOM 0 HG2 GLU A 16 -12.382 -15.427 -2.800 1.00 41.44 H new ATOM 0 HG3 GLU A 16 -13.084 -14.767 -4.264 1.00 41.44 H new ATOM 263 N ALA A 17 -11.059 -10.645 -1.965 1.00 22.25 N ATOM 264 CA ALA A 17 -10.149 -9.525 -1.699 1.00 54.52 C ATOM 265 C ALA A 17 -9.250 -9.807 -0.484 1.00 52.41 C ATOM 266 O ALA A 17 -9.742 -10.071 0.618 1.00 53.01 O ATOM 267 CB ALA A 17 -10.947 -8.242 -1.483 1.00 33.13 C ATOM 0 H ALA A 17 -11.794 -10.760 -1.268 1.00 22.25 H new ATOM 0 HA ALA A 17 -9.503 -9.402 -2.568 1.00 54.52 H new ATOM 0 HB1 ALA A 17 -10.263 -7.417 -1.286 1.00 33.13 H new ATOM 0 HB2 ALA A 17 -11.532 -8.023 -2.376 1.00 33.13 H new ATOM 0 HB3 ALA A 17 -11.617 -8.369 -0.632 1.00 33.13 H new ATOM 273 N ARG A 18 -7.935 -9.750 -0.686 1.00 24.03 N ATOM 274 CA ARG A 18 -6.970 -10.007 0.391 1.00 0.34 C ATOM 275 C ARG A 18 -6.527 -8.691 1.061 1.00 3.34 C ATOM 276 O ARG A 18 -6.121 -7.737 0.390 1.00 42.12 O ATOM 277 CB ARG A 18 -5.770 -10.799 -0.160 1.00 40.52 C ATOM 278 CG ARG A 18 -5.018 -10.101 -1.293 1.00 24.12 C ATOM 279 CD ARG A 18 -4.142 -11.070 -2.087 1.00 63.25 C ATOM 280 NE ARG A 18 -3.281 -11.879 -1.223 1.00 13.13 N ATOM 281 CZ ARG A 18 -2.934 -13.110 -1.480 1.00 61.15 C ATOM 282 NH1 ARG A 18 -3.313 -13.684 -2.577 1.00 54.41 N ATOM 283 NH2 ARG A 18 -2.195 -13.756 -0.646 1.00 21.43 N ATOM 0 H ARG A 18 -7.509 -9.528 -1.586 1.00 24.03 H new ATOM 0 HA ARG A 18 -7.451 -10.610 1.161 1.00 0.34 H new ATOM 0 HB2 ARG A 18 -5.074 -10.994 0.656 1.00 40.52 H new ATOM 0 HB3 ARG A 18 -6.122 -11.767 -0.517 1.00 40.52 H new ATOM 0 HG2 ARG A 18 -5.734 -9.628 -1.965 1.00 24.12 H new ATOM 0 HG3 ARG A 18 -4.396 -9.307 -0.879 1.00 24.12 H new ATOM 0 HD2 ARG A 18 -4.778 -11.727 -2.680 1.00 63.25 H new ATOM 0 HD3 ARG A 18 -3.524 -10.507 -2.787 1.00 63.25 H new ATOM 0 HE ARG A 18 -2.930 -11.453 -0.365 1.00 13.13 H new ATOM 0 HH11 ARG A 18 -3.887 -13.173 -3.248 1.00 54.41 H new ATOM 0 HH12 ARG A 18 -3.037 -14.647 -2.770 1.00 54.41 H new ATOM 0 HH21 ARG A 18 -1.882 -13.305 0.214 1.00 21.43 H new ATOM 0 HH22 ARG A 18 -1.923 -14.719 -0.845 1.00 21.43 H new ATOM 297 N LYS A 19 -6.618 -8.648 2.391 1.00 3.41 N ATOM 298 CA LYS A 19 -6.375 -7.418 3.163 1.00 41.45 C ATOM 299 C LYS A 19 -5.021 -7.445 3.894 1.00 53.22 C ATOM 300 O LYS A 19 -4.654 -8.443 4.520 1.00 4.05 O ATOM 301 CB LYS A 19 -7.498 -7.223 4.197 1.00 35.52 C ATOM 302 CG LYS A 19 -8.895 -7.078 3.593 1.00 44.45 C ATOM 303 CD LYS A 19 -9.985 -7.102 4.668 1.00 45.25 C ATOM 304 CE LYS A 19 -9.802 -5.998 5.706 1.00 54.43 C ATOM 305 NZ LYS A 19 -10.854 -6.039 6.756 1.00 74.12 N ATOM 0 H LYS A 19 -6.860 -9.456 2.965 1.00 3.41 H new ATOM 0 HA LYS A 19 -6.358 -6.591 2.454 1.00 41.45 H new ATOM 0 HB2 LYS A 19 -7.497 -8.072 4.880 1.00 35.52 H new ATOM 0 HB3 LYS A 19 -7.278 -6.336 4.791 1.00 35.52 H new ATOM 0 HG2 LYS A 19 -8.955 -6.143 3.036 1.00 44.45 H new ATOM 0 HG3 LYS A 19 -9.069 -7.885 2.881 1.00 44.45 H new ATOM 0 HD2 LYS A 19 -10.961 -6.994 4.195 1.00 45.25 H new ATOM 0 HD3 LYS A 19 -9.978 -8.071 5.167 1.00 45.25 H new ATOM 0 HE2 LYS A 19 -8.821 -6.097 6.172 1.00 54.43 H new ATOM 0 HE3 LYS A 19 -9.823 -5.028 5.210 1.00 54.43 H new ATOM 0 HZ1 LYS A 19 -10.692 -5.273 7.440 1.00 74.12 H new ATOM 0 HZ2 LYS A 19 -11.789 -5.918 6.316 1.00 74.12 H new ATOM 0 HZ3 LYS A 19 -10.818 -6.955 7.247 1.00 74.12 H new ATOM 319 N VAL A 20 -4.297 -6.330 3.823 1.00 14.30 N ATOM 320 CA VAL A 20 -3.052 -6.139 4.578 1.00 34.04 C ATOM 321 C VAL A 20 -3.089 -4.798 5.336 1.00 34.21 C ATOM 322 O VAL A 20 -3.684 -3.831 4.861 1.00 70.40 O ATOM 323 CB VAL A 20 -1.802 -6.184 3.657 1.00 65.41 C ATOM 324 CG1 VAL A 20 -1.642 -7.567 3.030 1.00 24.20 C ATOM 325 CG2 VAL A 20 -1.883 -5.106 2.575 1.00 65.04 C ATOM 0 H VAL A 20 -4.553 -5.532 3.242 1.00 14.30 H new ATOM 0 HA VAL A 20 -2.974 -6.961 5.289 1.00 34.04 H new ATOM 0 HB VAL A 20 -0.923 -5.983 4.270 1.00 65.41 H new ATOM 0 HG11 VAL A 20 -0.761 -7.576 2.389 1.00 24.20 H new ATOM 0 HG12 VAL A 20 -1.526 -8.312 3.817 1.00 24.20 H new ATOM 0 HG13 VAL A 20 -2.525 -7.801 2.436 1.00 24.20 H new ATOM 0 HG21 VAL A 20 -0.997 -5.158 1.943 1.00 65.04 H new ATOM 0 HG22 VAL A 20 -2.773 -5.268 1.966 1.00 65.04 H new ATOM 0 HG23 VAL A 20 -1.938 -4.123 3.044 1.00 65.04 H new ATOM 335 N ARG A 21 -2.470 -4.734 6.516 1.00 63.44 N ATOM 336 CA ARG A 21 -2.487 -3.493 7.309 1.00 4.31 C ATOM 337 C ARG A 21 -1.085 -2.873 7.423 1.00 3.13 C ATOM 338 O ARG A 21 -0.096 -3.580 7.615 1.00 41.24 O ATOM 339 CB ARG A 21 -3.070 -3.746 8.707 1.00 53.23 C ATOM 340 CG ARG A 21 -3.361 -2.456 9.472 1.00 22.55 C ATOM 341 CD ARG A 21 -4.135 -2.698 10.766 1.00 40.22 C ATOM 342 NE ARG A 21 -4.698 -1.451 11.282 1.00 62.34 N ATOM 343 CZ ARG A 21 -5.350 -1.338 12.405 1.00 33.33 C ATOM 344 NH1 ARG A 21 -5.522 -2.359 13.182 1.00 4.04 N ATOM 345 NH2 ARG A 21 -5.828 -0.186 12.753 1.00 42.21 N ATOM 0 H ARG A 21 -1.959 -5.507 6.942 1.00 63.44 H new ATOM 0 HA ARG A 21 -3.126 -2.783 6.785 1.00 4.31 H new ATOM 0 HB2 ARG A 21 -3.991 -4.322 8.612 1.00 53.23 H new ATOM 0 HB3 ARG A 21 -2.371 -4.354 9.282 1.00 53.23 H new ATOM 0 HG2 ARG A 21 -2.420 -1.957 9.704 1.00 22.55 H new ATOM 0 HG3 ARG A 21 -3.931 -1.781 8.834 1.00 22.55 H new ATOM 0 HD2 ARG A 21 -4.936 -3.415 10.586 1.00 40.22 H new ATOM 0 HD3 ARG A 21 -3.474 -3.139 11.512 1.00 40.22 H new ATOM 0 HE ARG A 21 -4.571 -0.608 10.722 1.00 62.34 H new ATOM 0 HH11 ARG A 21 -5.145 -3.269 12.919 1.00 4.04 H new ATOM 0 HH12 ARG A 21 -6.035 -2.253 14.057 1.00 4.04 H new ATOM 0 HH21 ARG A 21 -5.693 0.625 12.150 1.00 42.21 H new ATOM 0 HH22 ARG A 21 -6.339 -0.090 13.630 1.00 42.21 H new ATOM 359 N ALA A 22 -1.012 -1.548 7.306 1.00 44.14 N ATOM 360 CA ALA A 22 0.264 -0.828 7.360 1.00 34.31 C ATOM 361 C ALA A 22 0.745 -0.608 8.799 1.00 51.54 C ATOM 362 O ALA A 22 0.049 -0.002 9.613 1.00 51.30 O ATOM 363 CB ALA A 22 0.138 0.507 6.639 1.00 13.41 C ATOM 0 H ALA A 22 -1.825 -0.947 7.172 1.00 44.14 H new ATOM 0 HA ALA A 22 1.010 -1.446 6.860 1.00 34.31 H new ATOM 0 HB1 ALA A 22 1.090 1.036 6.684 1.00 13.41 H new ATOM 0 HB2 ALA A 22 -0.133 0.334 5.597 1.00 13.41 H new ATOM 0 HB3 ALA A 22 -0.634 1.108 7.119 1.00 13.41 H new ATOM 369 N ILE A 23 1.942 -1.103 9.103 1.00 53.12 N ATOM 370 CA ILE A 23 2.546 -0.921 10.428 1.00 52.22 C ATOM 371 C ILE A 23 3.587 0.215 10.429 1.00 21.52 C ATOM 372 O ILE A 23 4.053 0.645 11.488 1.00 50.41 O ATOM 373 CB ILE A 23 3.196 -2.235 10.935 1.00 53.13 C ATOM 374 CG1 ILE A 23 4.150 -2.815 9.873 1.00 13.01 C ATOM 375 CG2 ILE A 23 2.121 -3.250 11.318 1.00 62.31 C ATOM 376 CD1 ILE A 23 4.803 -4.123 10.277 1.00 3.04 C ATOM 0 H ILE A 23 2.517 -1.635 8.450 1.00 53.12 H new ATOM 0 HA ILE A 23 1.740 -0.645 11.107 1.00 52.22 H new ATOM 0 HB ILE A 23 3.782 -2.009 11.826 1.00 53.13 H new ATOM 0 HG12 ILE A 23 3.596 -2.969 8.947 1.00 13.01 H new ATOM 0 HG13 ILE A 23 4.929 -2.083 9.661 1.00 13.01 H new ATOM 0 HG21 ILE A 23 2.595 -4.166 11.671 1.00 62.31 H new ATOM 0 HG22 ILE A 23 1.495 -2.836 12.109 1.00 62.31 H new ATOM 0 HG23 ILE A 23 1.505 -3.473 10.447 1.00 62.31 H new ATOM 0 HD11 ILE A 23 5.459 -4.465 9.476 1.00 3.04 H new ATOM 0 HD12 ILE A 23 5.387 -3.973 11.185 1.00 3.04 H new ATOM 0 HD13 ILE A 23 4.033 -4.873 10.460 1.00 3.04 H new ATOM 388 N TYR A 24 3.944 0.699 9.241 1.00 74.04 N ATOM 389 CA TYR A 24 4.862 1.840 9.100 1.00 4.45 C ATOM 390 C TYR A 24 4.235 2.930 8.216 1.00 3.14 C ATOM 391 O TYR A 24 3.302 2.661 7.455 1.00 71.13 O ATOM 392 CB TYR A 24 6.202 1.392 8.493 1.00 71.12 C ATOM 393 CG TYR A 24 6.850 0.213 9.203 1.00 11.25 C ATOM 394 CD1 TYR A 24 7.321 0.328 10.509 1.00 41.34 C ATOM 395 CD2 TYR A 24 6.992 -1.013 8.567 1.00 70.33 C ATOM 396 CE1 TYR A 24 7.910 -0.745 11.155 1.00 1.14 C ATOM 397 CE2 TYR A 24 7.580 -2.088 9.204 1.00 64.24 C ATOM 398 CZ TYR A 24 8.037 -1.951 10.494 1.00 72.32 C ATOM 399 OH TYR A 24 8.624 -3.029 11.128 1.00 0.25 O ATOM 0 H TYR A 24 3.612 0.320 8.354 1.00 74.04 H new ATOM 0 HA TYR A 24 5.045 2.247 10.095 1.00 4.45 H new ATOM 0 HB2 TYR A 24 6.043 1.128 7.447 1.00 71.12 H new ATOM 0 HB3 TYR A 24 6.894 2.234 8.508 1.00 71.12 H new ATOM 0 HD1 TYR A 24 7.225 1.271 11.027 1.00 41.34 H new ATOM 0 HD2 TYR A 24 6.636 -1.128 7.554 1.00 70.33 H new ATOM 0 HE1 TYR A 24 8.268 -0.640 12.169 1.00 1.14 H new ATOM 0 HE2 TYR A 24 7.681 -3.033 8.691 1.00 64.24 H new ATOM 0 HH TYR A 24 8.633 -3.799 10.522 1.00 0.25 H new ATOM 409 N ASP A 25 4.746 4.153 8.319 1.00 4.22 N ATOM 410 CA ASP A 25 4.241 5.275 7.517 1.00 3.41 C ATOM 411 C ASP A 25 4.972 5.363 6.163 1.00 43.40 C ATOM 412 O ASP A 25 6.205 5.290 6.107 1.00 5.32 O ATOM 413 CB ASP A 25 4.419 6.591 8.282 1.00 54.12 C ATOM 414 CG ASP A 25 3.810 6.553 9.673 1.00 40.45 C ATOM 415 OD1 ASP A 25 2.593 6.774 9.804 1.00 45.34 O ATOM 416 OD2 ASP A 25 4.555 6.320 10.646 1.00 62.43 O ATOM 0 H ASP A 25 5.510 4.398 8.949 1.00 4.22 H new ATOM 0 HA ASP A 25 3.181 5.103 7.328 1.00 3.41 H new ATOM 0 HB2 ASP A 25 5.482 6.818 8.362 1.00 54.12 H new ATOM 0 HB3 ASP A 25 3.962 7.401 7.713 1.00 54.12 H new ATOM 421 N PHE A 26 4.217 5.543 5.082 1.00 74.01 N ATOM 422 CA PHE A 26 4.805 5.625 3.739 1.00 71.11 C ATOM 423 C PHE A 26 4.173 6.748 2.903 1.00 42.44 C ATOM 424 O PHE A 26 2.960 6.788 2.699 1.00 43.22 O ATOM 425 CB PHE A 26 4.650 4.285 3.014 1.00 23.53 C ATOM 426 CG PHE A 26 5.165 4.291 1.591 1.00 5.21 C ATOM 427 CD1 PHE A 26 6.514 4.105 1.319 1.00 43.34 C ATOM 428 CD2 PHE A 26 4.296 4.482 0.525 1.00 74.02 C ATOM 429 CE1 PHE A 26 6.982 4.113 0.019 1.00 64.51 C ATOM 430 CE2 PHE A 26 4.760 4.491 -0.777 1.00 44.40 C ATOM 431 CZ PHE A 26 6.106 4.303 -1.031 1.00 43.40 C ATOM 0 H PHE A 26 3.201 5.635 5.105 1.00 74.01 H new ATOM 0 HA PHE A 26 5.863 5.857 3.858 1.00 71.11 H new ATOM 0 HB2 PHE A 26 5.178 3.516 3.577 1.00 23.53 H new ATOM 0 HB3 PHE A 26 3.596 4.007 3.007 1.00 23.53 H new ATOM 0 HD1 PHE A 26 7.206 3.952 2.134 1.00 43.34 H new ATOM 0 HD2 PHE A 26 3.243 4.626 0.716 1.00 74.02 H new ATOM 0 HE1 PHE A 26 8.035 3.970 -0.176 1.00 64.51 H new ATOM 0 HE2 PHE A 26 4.072 4.645 -1.595 1.00 44.40 H new ATOM 0 HZ PHE A 26 6.471 4.305 -2.047 1.00 43.40 H new ATOM 441 N GLU A 27 5.013 7.653 2.415 1.00 74.14 N ATOM 442 CA GLU A 27 4.572 8.722 1.517 1.00 21.11 C ATOM 443 C GLU A 27 5.153 8.516 0.109 1.00 10.23 C ATOM 444 O GLU A 27 6.368 8.419 -0.068 1.00 31.42 O ATOM 445 CB GLU A 27 4.968 10.094 2.087 1.00 42.40 C ATOM 446 CG GLU A 27 4.304 10.397 3.433 1.00 33.15 C ATOM 447 CD GLU A 27 4.660 11.766 3.996 1.00 2.15 C ATOM 448 OE1 GLU A 27 4.010 12.761 3.607 1.00 31.50 O ATOM 449 OE2 GLU A 27 5.576 11.848 4.846 1.00 23.11 O ATOM 0 H GLU A 27 6.011 7.670 2.626 1.00 74.14 H new ATOM 0 HA GLU A 27 3.485 8.689 1.438 1.00 21.11 H new ATOM 0 HB2 GLU A 27 6.051 10.133 2.205 1.00 42.40 H new ATOM 0 HB3 GLU A 27 4.697 10.870 1.372 1.00 42.40 H new ATOM 0 HG2 GLU A 27 3.222 10.332 3.317 1.00 33.15 H new ATOM 0 HG3 GLU A 27 4.595 9.631 4.152 1.00 33.15 H new ATOM 456 N ALA A 28 4.266 8.456 -0.884 1.00 61.00 N ATOM 457 CA ALA A 28 4.628 8.097 -2.262 1.00 42.53 C ATOM 458 C ALA A 28 5.725 8.990 -2.856 1.00 34.52 C ATOM 459 O ALA A 28 5.710 10.213 -2.691 1.00 23.12 O ATOM 460 CB ALA A 28 3.388 8.157 -3.147 1.00 3.44 C ATOM 0 H ALA A 28 3.273 8.655 -0.759 1.00 61.00 H new ATOM 0 HA ALA A 28 5.031 7.085 -2.227 1.00 42.53 H new ATOM 0 HB1 ALA A 28 3.657 7.891 -4.169 1.00 3.44 H new ATOM 0 HB2 ALA A 28 2.641 7.456 -2.774 1.00 3.44 H new ATOM 0 HB3 ALA A 28 2.978 9.167 -3.131 1.00 3.44 H new ATOM 466 N ALA A 29 6.672 8.368 -3.559 1.00 4.41 N ATOM 467 CA ALA A 29 7.694 9.108 -4.302 1.00 24.13 C ATOM 468 C ALA A 29 7.115 9.659 -5.611 1.00 64.45 C ATOM 469 O ALA A 29 7.102 10.869 -5.839 1.00 40.21 O ATOM 470 CB ALA A 29 8.900 8.216 -4.587 1.00 44.15 C ATOM 0 H ALA A 29 6.753 7.354 -3.630 1.00 4.41 H new ATOM 0 HA ALA A 29 8.022 9.948 -3.689 1.00 24.13 H new ATOM 0 HB1 ALA A 29 9.649 8.783 -5.140 1.00 44.15 H new ATOM 0 HB2 ALA A 29 9.328 7.871 -3.646 1.00 44.15 H new ATOM 0 HB3 ALA A 29 8.585 7.357 -5.179 1.00 44.15 H new ATOM 476 N GLU A 30 6.634 8.763 -6.470 1.00 4.22 N ATOM 477 CA GLU A 30 5.979 9.159 -7.720 1.00 44.14 C ATOM 478 C GLU A 30 4.454 9.190 -7.550 1.00 33.15 C ATOM 479 O GLU A 30 3.926 8.854 -6.489 1.00 11.52 O ATOM 480 CB GLU A 30 6.358 8.200 -8.858 1.00 51.32 C ATOM 481 CG GLU A 30 7.851 8.166 -9.165 1.00 31.05 C ATOM 482 CD GLU A 30 8.196 7.217 -10.305 1.00 11.42 C ATOM 483 OE1 GLU A 30 8.283 5.995 -10.064 1.00 73.14 O ATOM 484 OE2 GLU A 30 8.388 7.691 -11.448 1.00 73.15 O ATOM 0 H GLU A 30 6.685 7.755 -6.325 1.00 4.22 H new ATOM 0 HA GLU A 30 6.323 10.161 -7.975 1.00 44.14 H new ATOM 0 HB2 GLU A 30 6.027 7.194 -8.598 1.00 51.32 H new ATOM 0 HB3 GLU A 30 5.818 8.490 -9.759 1.00 51.32 H new ATOM 0 HG2 GLU A 30 8.188 9.171 -9.420 1.00 31.05 H new ATOM 0 HG3 GLU A 30 8.395 7.865 -8.270 1.00 31.05 H new ATOM 491 N ASP A 31 3.753 9.592 -8.605 1.00 71.32 N ATOM 492 CA ASP A 31 2.294 9.727 -8.572 1.00 23.22 C ATOM 493 C ASP A 31 1.578 8.359 -8.574 1.00 72.22 C ATOM 494 O ASP A 31 0.399 8.268 -8.229 1.00 12.41 O ATOM 495 CB ASP A 31 1.832 10.556 -9.772 1.00 22.45 C ATOM 496 CG ASP A 31 2.659 11.816 -9.938 1.00 51.03 C ATOM 497 OD1 ASP A 31 3.714 11.757 -10.604 1.00 43.02 O ATOM 498 OD2 ASP A 31 2.272 12.870 -9.395 1.00 74.35 O ATOM 0 H ASP A 31 4.173 9.833 -9.503 1.00 71.32 H new ATOM 0 HA ASP A 31 2.029 10.229 -7.642 1.00 23.22 H new ATOM 0 HB2 ASP A 31 1.901 9.954 -10.678 1.00 22.45 H new ATOM 0 HB3 ASP A 31 0.783 10.824 -9.647 1.00 22.45 H new ATOM 503 N ASN A 32 2.293 7.305 -8.967 1.00 4.43 N ATOM 504 CA ASN A 32 1.701 5.963 -9.085 1.00 54.01 C ATOM 505 C ASN A 32 1.657 5.229 -7.731 1.00 55.30 C ATOM 506 O ASN A 32 0.837 4.331 -7.529 1.00 11.11 O ATOM 507 CB ASN A 32 2.484 5.135 -10.110 1.00 22.21 C ATOM 508 CG ASN A 32 1.804 3.817 -10.452 1.00 23.12 C ATOM 509 OD1 ASN A 32 0.580 3.706 -10.441 1.00 33.45 O ATOM 510 ND2 ASN A 32 2.589 2.808 -10.762 1.00 51.55 N ATOM 0 H ASN A 32 3.283 7.349 -9.210 1.00 4.43 H new ATOM 0 HA ASN A 32 0.672 6.085 -9.423 1.00 54.01 H new ATOM 0 HB2 ASN A 32 2.610 5.720 -11.021 1.00 22.21 H new ATOM 0 HB3 ASN A 32 3.482 4.933 -9.720 1.00 22.21 H new ATOM 0 HD21 ASN A 32 2.185 1.903 -11.002 1.00 51.55 H new ATOM 0 HD22 ASN A 32 3.602 2.931 -10.762 1.00 51.55 H new ATOM 517 N GLU A 33 2.547 5.596 -6.811 1.00 52.22 N ATOM 518 CA GLU A 33 2.560 4.995 -5.470 1.00 31.45 C ATOM 519 C GLU A 33 1.462 5.592 -4.569 1.00 12.33 C ATOM 520 O GLU A 33 0.899 6.648 -4.862 1.00 12.14 O ATOM 521 CB GLU A 33 3.937 5.144 -4.800 1.00 62.34 C ATOM 522 CG GLU A 33 5.067 4.402 -5.510 1.00 5.13 C ATOM 523 CD GLU A 33 5.706 5.216 -6.622 1.00 22.30 C ATOM 524 OE1 GLU A 33 5.180 5.207 -7.756 1.00 20.35 O ATOM 525 OE2 GLU A 33 6.738 5.872 -6.357 1.00 30.40 O ATOM 0 H GLU A 33 3.267 6.302 -6.964 1.00 52.22 H new ATOM 0 HA GLU A 33 2.354 3.932 -5.598 1.00 31.45 H new ATOM 0 HB2 GLU A 33 4.190 6.203 -4.749 1.00 62.34 H new ATOM 0 HB3 GLU A 33 3.869 4.782 -3.774 1.00 62.34 H new ATOM 0 HG2 GLU A 33 5.831 4.131 -4.781 1.00 5.13 H new ATOM 0 HG3 GLU A 33 4.679 3.472 -5.925 1.00 5.13 H new ATOM 532 N LEU A 34 1.169 4.905 -3.467 1.00 52.11 N ATOM 533 CA LEU A 34 0.074 5.295 -2.569 1.00 32.22 C ATOM 534 C LEU A 34 0.622 5.961 -1.288 1.00 64.04 C ATOM 535 O LEU A 34 1.394 5.353 -0.546 1.00 24.22 O ATOM 536 CB LEU A 34 -0.749 4.039 -2.207 1.00 60.04 C ATOM 537 CG LEU A 34 -2.275 4.231 -2.086 1.00 74.14 C ATOM 538 CD1 LEU A 34 -2.946 2.917 -1.697 1.00 30.53 C ATOM 539 CD2 LEU A 34 -2.627 5.329 -1.085 1.00 22.00 C ATOM 0 H LEU A 34 1.675 4.071 -3.170 1.00 52.11 H new ATOM 0 HA LEU A 34 -0.562 6.021 -3.076 1.00 32.22 H new ATOM 0 HB2 LEU A 34 -0.559 3.277 -2.963 1.00 60.04 H new ATOM 0 HB3 LEU A 34 -0.378 3.648 -1.260 1.00 60.04 H new ATOM 0 HG LEU A 34 -2.649 4.543 -3.061 1.00 74.14 H new ATOM 0 HD11 LEU A 34 -4.022 3.068 -1.615 1.00 30.53 H new ATOM 0 HD12 LEU A 34 -2.742 2.165 -2.459 1.00 30.53 H new ATOM 0 HD13 LEU A 34 -2.554 2.578 -0.738 1.00 30.53 H new ATOM 0 HD21 LEU A 34 -3.710 5.435 -1.027 1.00 22.00 H new ATOM 0 HD22 LEU A 34 -2.235 5.065 -0.103 1.00 22.00 H new ATOM 0 HD23 LEU A 34 -2.187 6.272 -1.410 1.00 22.00 H new ATOM 551 N THR A 35 0.226 7.211 -1.036 1.00 21.43 N ATOM 552 CA THR A 35 0.645 7.931 0.181 1.00 71.42 C ATOM 553 C THR A 35 -0.355 7.734 1.327 1.00 50.43 C ATOM 554 O THR A 35 -1.498 8.184 1.241 1.00 32.05 O ATOM 555 CB THR A 35 0.791 9.453 -0.070 1.00 3.30 C ATOM 556 OG1 THR A 35 1.767 9.703 -1.090 1.00 61.33 O ATOM 557 CG2 THR A 35 1.190 10.195 1.206 1.00 73.20 C ATOM 0 H THR A 35 -0.382 7.749 -1.653 1.00 21.43 H new ATOM 0 HA THR A 35 1.612 7.511 0.457 1.00 71.42 H new ATOM 0 HB THR A 35 -0.181 9.823 -0.397 1.00 3.30 H new ATOM 0 HG1 THR A 35 1.846 10.669 -1.238 1.00 61.33 H new ATOM 0 HG21 THR A 35 1.284 11.260 0.993 1.00 73.20 H new ATOM 0 HG22 THR A 35 0.427 10.043 1.969 1.00 73.20 H new ATOM 0 HG23 THR A 35 2.145 9.812 1.566 1.00 73.20 H new ATOM 565 N PHE A 36 0.081 7.075 2.403 1.00 73.11 N ATOM 566 CA PHE A 36 -0.767 6.869 3.585 1.00 12.02 C ATOM 567 C PHE A 36 0.069 6.538 4.832 1.00 22.14 C ATOM 568 O PHE A 36 1.226 6.122 4.734 1.00 22.41 O ATOM 569 CB PHE A 36 -1.807 5.768 3.328 1.00 24.30 C ATOM 570 CG PHE A 36 -1.219 4.431 2.945 1.00 22.11 C ATOM 571 CD1 PHE A 36 -0.767 4.201 1.653 1.00 44.43 C ATOM 572 CD2 PHE A 36 -1.138 3.399 3.868 1.00 15.00 C ATOM 573 CE1 PHE A 36 -0.245 2.977 1.292 1.00 32.24 C ATOM 574 CE2 PHE A 36 -0.619 2.174 3.508 1.00 4.02 C ATOM 575 CZ PHE A 36 -0.173 1.962 2.219 1.00 3.44 C ATOM 0 H PHE A 36 1.016 6.674 2.483 1.00 73.11 H new ATOM 0 HA PHE A 36 -1.292 7.805 3.775 1.00 12.02 H new ATOM 0 HB2 PHE A 36 -2.413 5.641 4.225 1.00 24.30 H new ATOM 0 HB3 PHE A 36 -2.478 6.097 2.534 1.00 24.30 H new ATOM 0 HD1 PHE A 36 -0.825 4.992 0.920 1.00 44.43 H new ATOM 0 HD2 PHE A 36 -1.485 3.557 4.879 1.00 15.00 H new ATOM 0 HE1 PHE A 36 0.107 2.815 0.284 1.00 32.24 H new ATOM 0 HE2 PHE A 36 -0.561 1.378 4.236 1.00 4.02 H new ATOM 0 HZ PHE A 36 0.232 1.001 1.938 1.00 3.44 H new ATOM 585 N LYS A 37 -0.526 6.729 6.008 1.00 40.04 N ATOM 586 CA LYS A 37 0.187 6.553 7.278 1.00 53.03 C ATOM 587 C LYS A 37 -0.108 5.181 7.916 1.00 52.42 C ATOM 588 O LYS A 37 -0.956 4.423 7.440 1.00 12.15 O ATOM 589 CB LYS A 37 -0.195 7.681 8.251 1.00 12.11 C ATOM 590 CG LYS A 37 -0.142 9.080 7.629 1.00 54.31 C ATOM 591 CD LYS A 37 1.240 9.431 7.073 1.00 22.32 C ATOM 592 CE LYS A 37 2.297 9.547 8.169 1.00 74.53 C ATOM 593 NZ LYS A 37 1.952 10.587 9.177 1.00 74.51 N ATOM 0 H LYS A 37 -1.502 7.006 6.111 1.00 40.04 H new ATOM 0 HA LYS A 37 1.256 6.595 7.069 1.00 53.03 H new ATOM 0 HB2 LYS A 37 -1.202 7.499 8.626 1.00 12.11 H new ATOM 0 HB3 LYS A 37 0.476 7.650 9.110 1.00 12.11 H new ATOM 0 HG2 LYS A 37 -0.878 9.144 6.827 1.00 54.31 H new ATOM 0 HG3 LYS A 37 -0.424 9.817 8.380 1.00 54.31 H new ATOM 0 HD2 LYS A 37 1.545 8.668 6.357 1.00 22.32 H new ATOM 0 HD3 LYS A 37 1.181 10.373 6.528 1.00 22.32 H new ATOM 0 HE2 LYS A 37 2.408 8.584 8.667 1.00 74.53 H new ATOM 0 HE3 LYS A 37 3.260 9.786 7.718 1.00 74.53 H new ATOM 0 HZ1 LYS A 37 2.784 10.786 9.769 1.00 74.51 H new ATOM 0 HZ2 LYS A 37 1.657 11.457 8.691 1.00 74.51 H new ATOM 0 HZ3 LYS A 37 1.174 10.245 9.777 1.00 74.51 H new ATOM 607 N ALA A 38 0.593 4.879 9.006 1.00 43.44 N ATOM 608 CA ALA A 38 0.435 3.604 9.711 1.00 71.50 C ATOM 609 C ALA A 38 -0.972 3.452 10.317 1.00 72.22 C ATOM 610 O ALA A 38 -1.590 4.432 10.737 1.00 12.10 O ATOM 611 CB ALA A 38 1.498 3.471 10.797 1.00 40.41 C ATOM 0 H ALA A 38 1.282 5.504 9.425 1.00 43.44 H new ATOM 0 HA ALA A 38 0.563 2.805 8.981 1.00 71.50 H new ATOM 0 HB1 ALA A 38 1.372 2.520 11.315 1.00 40.41 H new ATOM 0 HB2 ALA A 38 2.488 3.509 10.343 1.00 40.41 H new ATOM 0 HB3 ALA A 38 1.394 4.289 11.510 1.00 40.41 H new ATOM 617 N GLY A 39 -1.468 2.218 10.348 1.00 42.10 N ATOM 618 CA GLY A 39 -2.790 1.942 10.908 1.00 11.03 C ATOM 619 C GLY A 39 -3.866 1.728 9.847 1.00 73.31 C ATOM 620 O GLY A 39 -4.941 1.201 10.146 1.00 30.05 O ATOM 0 H GLY A 39 -0.978 1.396 9.994 1.00 42.10 H new ATOM 0 HA2 GLY A 39 -2.731 1.055 11.539 1.00 11.03 H new ATOM 0 HA3 GLY A 39 -3.084 2.772 11.551 1.00 11.03 H new ATOM 624 N GLU A 40 -3.579 2.124 8.606 1.00 13.22 N ATOM 625 CA GLU A 40 -4.548 2.010 7.506 1.00 51.35 C ATOM 626 C GLU A 40 -4.774 0.555 7.063 1.00 34.12 C ATOM 627 O GLU A 40 -3.881 -0.293 7.172 1.00 44.13 O ATOM 628 CB GLU A 40 -4.074 2.836 6.299 1.00 72.22 C ATOM 629 CG GLU A 40 -4.037 4.341 6.543 1.00 30.10 C ATOM 630 CD GLU A 40 -5.399 4.921 6.894 1.00 62.31 C ATOM 631 OE1 GLU A 40 -6.376 4.657 6.157 1.00 60.21 O ATOM 632 OE2 GLU A 40 -5.493 5.656 7.900 1.00 3.24 O ATOM 0 H GLU A 40 -2.683 2.528 8.333 1.00 13.22 H new ATOM 0 HA GLU A 40 -5.497 2.393 7.882 1.00 51.35 H new ATOM 0 HB2 GLU A 40 -3.077 2.501 6.014 1.00 72.22 H new ATOM 0 HB3 GLU A 40 -4.732 2.633 5.454 1.00 72.22 H new ATOM 0 HG2 GLU A 40 -3.338 4.555 7.351 1.00 30.10 H new ATOM 0 HG3 GLU A 40 -3.655 4.839 5.651 1.00 30.10 H new ATOM 639 N ILE A 41 -5.977 0.281 6.560 1.00 25.31 N ATOM 640 CA ILE A 41 -6.311 -1.027 5.980 1.00 74.53 C ATOM 641 C ILE A 41 -6.215 -0.971 4.446 1.00 43.02 C ATOM 642 O ILE A 41 -6.967 -0.244 3.790 1.00 12.44 O ATOM 643 CB ILE A 41 -7.740 -1.481 6.383 1.00 43.21 C ATOM 644 CG1 ILE A 41 -7.860 -1.595 7.914 1.00 71.21 C ATOM 645 CG2 ILE A 41 -8.096 -2.813 5.713 1.00 44.33 C ATOM 646 CD1 ILE A 41 -6.990 -2.680 8.524 1.00 65.41 C ATOM 0 H ILE A 41 -6.745 0.952 6.541 1.00 25.31 H new ATOM 0 HA ILE A 41 -5.593 -1.749 6.370 1.00 74.53 H new ATOM 0 HB ILE A 41 -8.447 -0.727 6.038 1.00 43.21 H new ATOM 0 HG12 ILE A 41 -7.595 -0.637 8.361 1.00 71.21 H new ATOM 0 HG13 ILE A 41 -8.901 -1.790 8.173 1.00 71.21 H new ATOM 0 HG21 ILE A 41 -9.101 -3.112 6.009 1.00 44.33 H new ATOM 0 HG22 ILE A 41 -8.056 -2.698 4.630 1.00 44.33 H new ATOM 0 HG23 ILE A 41 -7.384 -3.578 6.023 1.00 44.33 H new ATOM 0 HD11 ILE A 41 -7.132 -2.696 9.605 1.00 65.41 H new ATOM 0 HD12 ILE A 41 -7.270 -3.648 8.107 1.00 65.41 H new ATOM 0 HD13 ILE A 41 -5.943 -2.477 8.299 1.00 65.41 H new ATOM 658 N ILE A 42 -5.287 -1.734 3.876 1.00 12.52 N ATOM 659 CA ILE A 42 -5.062 -1.725 2.429 1.00 21.42 C ATOM 660 C ILE A 42 -5.626 -2.991 1.761 1.00 3.44 C ATOM 661 O ILE A 42 -5.288 -4.113 2.146 1.00 74.12 O ATOM 662 CB ILE A 42 -3.551 -1.616 2.073 1.00 13.32 C ATOM 663 CG1 ILE A 42 -2.888 -0.408 2.764 1.00 52.02 C ATOM 664 CG2 ILE A 42 -3.364 -1.527 0.557 1.00 52.13 C ATOM 665 CD1 ILE A 42 -2.595 -0.616 4.237 1.00 2.04 C ATOM 0 H ILE A 42 -4.677 -2.368 4.392 1.00 12.52 H new ATOM 0 HA ILE A 42 -5.584 -0.846 2.052 1.00 21.42 H new ATOM 0 HB ILE A 42 -3.062 -2.518 2.440 1.00 13.32 H new ATOM 0 HG12 ILE A 42 -1.956 -0.176 2.249 1.00 52.02 H new ATOM 0 HG13 ILE A 42 -3.537 0.460 2.654 1.00 52.02 H new ATOM 0 HG21 ILE A 42 -2.302 -1.451 0.325 1.00 52.13 H new ATOM 0 HG22 ILE A 42 -3.775 -2.420 0.087 1.00 52.13 H new ATOM 0 HG23 ILE A 42 -3.882 -0.646 0.178 1.00 52.13 H new ATOM 0 HD11 ILE A 42 -2.129 0.281 4.646 1.00 2.04 H new ATOM 0 HD12 ILE A 42 -3.525 -0.816 4.768 1.00 2.04 H new ATOM 0 HD13 ILE A 42 -1.919 -1.463 4.358 1.00 2.04 H new ATOM 677 N THR A 43 -6.488 -2.806 0.767 1.00 41.32 N ATOM 678 CA THR A 43 -6.966 -3.924 -0.051 1.00 54.15 C ATOM 679 C THR A 43 -6.160 -3.987 -1.354 1.00 51.12 C ATOM 680 O THR A 43 -6.323 -3.141 -2.235 1.00 73.23 O ATOM 681 CB THR A 43 -8.473 -3.782 -0.390 1.00 64.24 C ATOM 682 OG1 THR A 43 -9.250 -3.719 0.817 1.00 1.25 O ATOM 683 CG2 THR A 43 -8.960 -4.949 -1.246 1.00 54.33 C ATOM 0 H THR A 43 -6.871 -1.897 0.506 1.00 41.32 H new ATOM 0 HA THR A 43 -6.831 -4.840 0.524 1.00 54.15 H new ATOM 0 HB THR A 43 -8.600 -2.859 -0.956 1.00 64.24 H new ATOM 0 HG1 THR A 43 -10.199 -3.628 0.591 1.00 1.25 H new ATOM 0 HG21 THR A 43 -10.020 -4.821 -1.467 1.00 54.33 H new ATOM 0 HG22 THR A 43 -8.396 -4.977 -2.178 1.00 54.33 H new ATOM 0 HG23 THR A 43 -8.813 -5.884 -0.705 1.00 54.33 H new ATOM 691 N VAL A 44 -5.287 -4.983 -1.475 1.00 11.54 N ATOM 692 CA VAL A 44 -4.420 -5.102 -2.654 1.00 3.12 C ATOM 693 C VAL A 44 -5.140 -5.821 -3.809 1.00 3.11 C ATOM 694 O VAL A 44 -5.541 -6.978 -3.691 1.00 24.34 O ATOM 695 CB VAL A 44 -3.077 -5.808 -2.312 1.00 50.41 C ATOM 696 CG1 VAL A 44 -3.301 -7.167 -1.656 1.00 52.31 C ATOM 697 CG2 VAL A 44 -2.201 -5.946 -3.556 1.00 43.33 C ATOM 0 H VAL A 44 -5.158 -5.717 -0.779 1.00 11.54 H new ATOM 0 HA VAL A 44 -4.185 -4.090 -2.982 1.00 3.12 H new ATOM 0 HB VAL A 44 -2.555 -5.179 -1.591 1.00 50.41 H new ATOM 0 HG11 VAL A 44 -2.338 -7.627 -1.433 1.00 52.31 H new ATOM 0 HG12 VAL A 44 -3.863 -7.036 -0.731 1.00 52.31 H new ATOM 0 HG13 VAL A 44 -3.862 -7.810 -2.334 1.00 52.31 H new ATOM 0 HG21 VAL A 44 -1.268 -6.443 -3.291 1.00 43.33 H new ATOM 0 HG22 VAL A 44 -2.726 -6.537 -4.307 1.00 43.33 H new ATOM 0 HG23 VAL A 44 -1.984 -4.957 -3.959 1.00 43.33 H new ATOM 707 N LEU A 45 -5.321 -5.107 -4.920 1.00 72.10 N ATOM 708 CA LEU A 45 -6.033 -5.642 -6.086 1.00 73.11 C ATOM 709 C LEU A 45 -5.079 -6.368 -7.045 1.00 62.22 C ATOM 710 O LEU A 45 -5.449 -7.361 -7.678 1.00 34.45 O ATOM 711 CB LEU A 45 -6.757 -4.507 -6.828 1.00 23.41 C ATOM 712 CG LEU A 45 -7.776 -3.712 -5.989 1.00 4.10 C ATOM 713 CD1 LEU A 45 -8.422 -2.606 -6.822 1.00 24.34 C ATOM 714 CD2 LEU A 45 -8.839 -4.642 -5.405 1.00 41.04 C ATOM 0 H LEU A 45 -4.983 -4.152 -5.039 1.00 72.10 H new ATOM 0 HA LEU A 45 -6.764 -6.366 -5.727 1.00 73.11 H new ATOM 0 HB2 LEU A 45 -6.010 -3.813 -7.213 1.00 23.41 H new ATOM 0 HB3 LEU A 45 -7.273 -4.931 -7.690 1.00 23.41 H new ATOM 0 HG LEU A 45 -7.242 -3.244 -5.162 1.00 4.10 H new ATOM 0 HD11 LEU A 45 -9.137 -2.059 -6.208 1.00 24.34 H new ATOM 0 HD12 LEU A 45 -7.652 -1.922 -7.178 1.00 24.34 H new ATOM 0 HD13 LEU A 45 -8.938 -3.047 -7.675 1.00 24.34 H new ATOM 0 HD21 LEU A 45 -9.548 -4.060 -4.816 1.00 41.04 H new ATOM 0 HD22 LEU A 45 -9.367 -5.145 -6.215 1.00 41.04 H new ATOM 0 HD23 LEU A 45 -8.361 -5.385 -4.766 1.00 41.04 H new ATOM 726 N ASP A 46 -3.853 -5.861 -7.148 1.00 2.11 N ATOM 727 CA ASP A 46 -2.848 -6.431 -8.047 1.00 61.12 C ATOM 728 C ASP A 46 -1.607 -6.888 -7.262 1.00 31.30 C ATOM 729 O ASP A 46 -0.709 -6.093 -6.974 1.00 54.11 O ATOM 730 CB ASP A 46 -2.466 -5.397 -9.114 1.00 70.30 C ATOM 731 CG ASP A 46 -1.633 -5.992 -10.234 1.00 71.14 C ATOM 732 OD1 ASP A 46 -0.391 -6.018 -10.111 1.00 40.15 O ATOM 733 OD2 ASP A 46 -2.218 -6.430 -11.244 1.00 32.05 O ATOM 0 H ASP A 46 -3.529 -5.052 -6.618 1.00 2.11 H new ATOM 0 HA ASP A 46 -3.271 -7.308 -8.538 1.00 61.12 H new ATOM 0 HB2 ASP A 46 -3.373 -4.961 -9.533 1.00 70.30 H new ATOM 0 HB3 ASP A 46 -1.910 -4.585 -8.645 1.00 70.30 H new ATOM 738 N ASP A 47 -1.586 -8.165 -6.895 1.00 41.52 N ATOM 739 CA ASP A 47 -0.460 -8.760 -6.165 1.00 31.52 C ATOM 740 C ASP A 47 0.255 -9.821 -7.023 1.00 2.35 C ATOM 741 O ASP A 47 0.916 -10.721 -6.497 1.00 23.51 O ATOM 742 CB ASP A 47 -0.968 -9.383 -4.855 1.00 43.10 C ATOM 743 CG ASP A 47 -2.009 -10.468 -5.087 1.00 23.20 C ATOM 744 OD1 ASP A 47 -3.060 -10.169 -5.692 1.00 54.20 O ATOM 745 OD2 ASP A 47 -1.783 -11.622 -4.658 1.00 41.24 O ATOM 0 H ASP A 47 -2.344 -8.819 -7.092 1.00 41.52 H new ATOM 0 HA ASP A 47 0.261 -7.976 -5.935 1.00 31.52 H new ATOM 0 HB2 ASP A 47 -0.125 -9.805 -4.307 1.00 43.10 H new ATOM 0 HB3 ASP A 47 -1.397 -8.601 -4.228 1.00 43.10 H new ATOM 750 N SER A 48 0.130 -9.684 -8.349 1.00 31.53 N ATOM 751 CA SER A 48 0.714 -10.641 -9.310 1.00 31.22 C ATOM 752 C SER A 48 2.205 -10.893 -9.043 1.00 45.23 C ATOM 753 O SER A 48 2.633 -12.040 -8.873 1.00 63.23 O ATOM 754 CB SER A 48 0.535 -10.128 -10.748 1.00 0.42 C ATOM 755 OG SER A 48 1.094 -11.031 -11.695 1.00 44.42 O ATOM 0 H SER A 48 -0.374 -8.914 -8.788 1.00 31.53 H new ATOM 0 HA SER A 48 0.184 -11.585 -9.182 1.00 31.22 H new ATOM 0 HB2 SER A 48 -0.526 -9.990 -10.957 1.00 0.42 H new ATOM 0 HB3 SER A 48 1.010 -9.152 -10.849 1.00 0.42 H new ATOM 0 HG SER A 48 0.963 -10.678 -12.600 1.00 44.42 H new ATOM 761 N ASP A 49 2.990 -9.824 -9.008 1.00 44.20 N ATOM 762 CA ASP A 49 4.423 -9.926 -8.740 1.00 21.34 C ATOM 763 C ASP A 49 4.743 -9.517 -7.288 1.00 24.44 C ATOM 764 O ASP A 49 4.443 -8.399 -6.868 1.00 72.33 O ATOM 765 CB ASP A 49 5.194 -9.049 -9.727 1.00 61.24 C ATOM 766 CG ASP A 49 4.884 -9.416 -11.169 1.00 43.32 C ATOM 767 OD1 ASP A 49 5.367 -10.467 -11.637 1.00 32.34 O ATOM 768 OD2 ASP A 49 4.143 -8.666 -11.838 1.00 24.30 O ATOM 0 H ASP A 49 2.659 -8.872 -9.162 1.00 44.20 H new ATOM 0 HA ASP A 49 4.730 -10.964 -8.869 1.00 21.34 H new ATOM 0 HB2 ASP A 49 4.943 -8.002 -9.556 1.00 61.24 H new ATOM 0 HB3 ASP A 49 6.264 -9.153 -9.547 1.00 61.24 H new ATOM 773 N PRO A 50 5.371 -10.423 -6.506 1.00 74.11 N ATOM 774 CA PRO A 50 5.659 -10.201 -5.066 1.00 64.21 C ATOM 775 C PRO A 50 6.393 -8.879 -4.747 1.00 44.03 C ATOM 776 O PRO A 50 6.380 -8.424 -3.604 1.00 40.41 O ATOM 777 CB PRO A 50 6.554 -11.396 -4.706 1.00 64.02 C ATOM 778 CG PRO A 50 6.170 -12.462 -5.673 1.00 14.32 C ATOM 779 CD PRO A 50 5.839 -11.750 -6.956 1.00 64.34 C ATOM 0 HA PRO A 50 4.732 -10.124 -4.498 1.00 64.21 H new ATOM 0 HB2 PRO A 50 7.610 -11.141 -4.797 1.00 64.02 H new ATOM 0 HB3 PRO A 50 6.391 -11.717 -3.677 1.00 64.02 H new ATOM 0 HG2 PRO A 50 6.985 -13.171 -5.818 1.00 14.32 H new ATOM 0 HG3 PRO A 50 5.314 -13.031 -5.309 1.00 14.32 H new ATOM 0 HD2 PRO A 50 6.710 -11.669 -7.606 1.00 64.34 H new ATOM 0 HD3 PRO A 50 5.069 -12.277 -7.520 1.00 64.34 H new ATOM 787 N ASN A 51 7.033 -8.276 -5.747 1.00 13.11 N ATOM 788 CA ASN A 51 7.836 -7.061 -5.532 1.00 74.43 C ATOM 789 C ASN A 51 7.069 -5.766 -5.860 1.00 72.14 C ATOM 790 O ASN A 51 7.586 -4.668 -5.639 1.00 2.41 O ATOM 791 CB ASN A 51 9.120 -7.131 -6.366 1.00 24.30 C ATOM 792 CG ASN A 51 10.097 -8.165 -5.834 1.00 13.42 C ATOM 793 OD1 ASN A 51 10.938 -7.862 -4.999 1.00 0.43 O ATOM 794 ND2 ASN A 51 10.001 -9.391 -6.307 1.00 42.23 N ATOM 0 H ASN A 51 7.015 -8.603 -6.713 1.00 13.11 H new ATOM 0 HA ASN A 51 8.078 -7.025 -4.470 1.00 74.43 H new ATOM 0 HB2 ASN A 51 8.867 -7.371 -7.399 1.00 24.30 H new ATOM 0 HB3 ASN A 51 9.599 -6.152 -6.374 1.00 24.30 H new ATOM 0 HD21 ASN A 51 10.638 -10.116 -5.977 1.00 42.23 H new ATOM 0 HD22 ASN A 51 9.290 -9.615 -7.003 1.00 42.23 H new ATOM 801 N TRP A 52 5.848 -5.886 -6.391 1.00 15.23 N ATOM 802 CA TRP A 52 5.048 -4.704 -6.766 1.00 33.13 C ATOM 803 C TRP A 52 3.546 -4.917 -6.515 1.00 22.34 C ATOM 804 O TRP A 52 2.825 -5.443 -7.365 1.00 64.00 O ATOM 805 CB TRP A 52 5.283 -4.333 -8.242 1.00 61.24 C ATOM 806 CG TRP A 52 6.689 -3.890 -8.533 1.00 61.22 C ATOM 807 CD1 TRP A 52 7.721 -4.666 -8.984 1.00 62.11 C ATOM 808 CD2 TRP A 52 7.220 -2.565 -8.391 1.00 72.02 C ATOM 809 NE1 TRP A 52 8.856 -3.907 -9.123 1.00 33.11 N ATOM 810 CE2 TRP A 52 8.574 -2.613 -8.768 1.00 75.23 C ATOM 811 CE3 TRP A 52 6.679 -1.344 -7.979 1.00 71.04 C ATOM 812 CZ2 TRP A 52 9.394 -1.488 -8.746 1.00 65.02 C ATOM 813 CZ3 TRP A 52 7.492 -0.227 -7.959 1.00 51.42 C ATOM 814 CH2 TRP A 52 8.836 -0.307 -8.339 1.00 63.14 C ATOM 0 H TRP A 52 5.390 -6.780 -6.572 1.00 15.23 H new ATOM 0 HA TRP A 52 5.380 -3.883 -6.130 1.00 33.13 H new ATOM 0 HB2 TRP A 52 5.045 -5.194 -8.867 1.00 61.24 H new ATOM 0 HB3 TRP A 52 4.594 -3.536 -8.522 1.00 61.24 H new ATOM 0 HD1 TRP A 52 7.653 -5.722 -9.199 1.00 62.11 H new ATOM 0 HE1 TRP A 52 9.763 -4.250 -9.439 1.00 33.11 H new ATOM 0 HE3 TRP A 52 5.643 -1.275 -7.681 1.00 71.04 H new ATOM 0 HZ2 TRP A 52 10.432 -1.545 -9.039 1.00 65.02 H new ATOM 0 HZ3 TRP A 52 7.084 0.722 -7.645 1.00 51.42 H new ATOM 0 HH2 TRP A 52 9.447 0.583 -8.310 1.00 63.14 H new ATOM 825 N TRP A 53 3.083 -4.513 -5.335 1.00 21.42 N ATOM 826 CA TRP A 53 1.664 -4.624 -4.972 1.00 4.13 C ATOM 827 C TRP A 53 0.904 -3.308 -5.231 1.00 44.32 C ATOM 828 O TRP A 53 1.375 -2.227 -4.868 1.00 2.31 O ATOM 829 CB TRP A 53 1.523 -5.006 -3.491 1.00 24.43 C ATOM 830 CG TRP A 53 1.990 -6.396 -3.158 1.00 24.42 C ATOM 831 CD1 TRP A 53 2.685 -7.259 -3.960 1.00 60.45 C ATOM 832 CD2 TRP A 53 1.789 -7.081 -1.916 1.00 25.32 C ATOM 833 NE1 TRP A 53 2.926 -8.433 -3.291 1.00 54.14 N ATOM 834 CE2 TRP A 53 2.388 -8.349 -2.035 1.00 73.35 C ATOM 835 CE3 TRP A 53 1.162 -6.742 -0.714 1.00 71.25 C ATOM 836 CZ2 TRP A 53 2.374 -9.278 -0.998 1.00 62.10 C ATOM 837 CZ3 TRP A 53 1.151 -7.664 0.314 1.00 63.34 C ATOM 838 CH2 TRP A 53 1.753 -8.920 0.167 1.00 55.23 C ATOM 0 H TRP A 53 3.669 -4.103 -4.608 1.00 21.42 H new ATOM 0 HA TRP A 53 1.228 -5.402 -5.599 1.00 4.13 H new ATOM 0 HB2 TRP A 53 2.087 -4.293 -2.890 1.00 24.43 H new ATOM 0 HB3 TRP A 53 0.477 -4.909 -3.202 1.00 24.43 H new ATOM 0 HD1 TRP A 53 2.998 -7.048 -4.972 1.00 60.45 H new ATOM 0 HE1 TRP A 53 3.425 -9.238 -3.669 1.00 54.14 H new ATOM 0 HE3 TRP A 53 0.694 -5.776 -0.591 1.00 71.25 H new ATOM 0 HZ2 TRP A 53 2.837 -10.247 -1.110 1.00 62.10 H new ATOM 0 HZ3 TRP A 53 0.670 -7.412 1.248 1.00 63.34 H new ATOM 0 HH2 TRP A 53 1.726 -9.619 0.989 1.00 55.23 H new ATOM 849 N LYS A 54 -0.268 -3.410 -5.860 1.00 51.32 N ATOM 850 CA LYS A 54 -1.145 -2.249 -6.077 1.00 40.41 C ATOM 851 C LYS A 54 -2.421 -2.368 -5.224 1.00 22.34 C ATOM 852 O LYS A 54 -3.195 -3.318 -5.376 1.00 4.24 O ATOM 853 CB LYS A 54 -1.524 -2.126 -7.559 1.00 11.42 C ATOM 854 CG LYS A 54 -2.374 -0.899 -7.876 1.00 10.43 C ATOM 855 CD LYS A 54 -2.783 -0.854 -9.347 1.00 74.33 C ATOM 856 CE LYS A 54 -3.632 0.375 -9.661 1.00 21.21 C ATOM 857 NZ LYS A 54 -4.089 0.392 -11.077 1.00 63.43 N ATOM 0 H LYS A 54 -0.636 -4.286 -6.231 1.00 51.32 H new ATOM 0 HA LYS A 54 -0.599 -1.355 -5.777 1.00 40.41 H new ATOM 0 HB2 LYS A 54 -0.613 -2.090 -8.156 1.00 11.42 H new ATOM 0 HB3 LYS A 54 -2.067 -3.021 -7.861 1.00 11.42 H new ATOM 0 HG2 LYS A 54 -3.267 -0.905 -7.251 1.00 10.43 H new ATOM 0 HG3 LYS A 54 -1.816 0.004 -7.627 1.00 10.43 H new ATOM 0 HD2 LYS A 54 -1.890 -0.849 -9.973 1.00 74.33 H new ATOM 0 HD3 LYS A 54 -3.342 -1.756 -9.597 1.00 74.33 H new ATOM 0 HE2 LYS A 54 -4.499 0.395 -9.000 1.00 21.21 H new ATOM 0 HE3 LYS A 54 -3.054 1.276 -9.456 1.00 21.21 H new ATOM 0 HZ1 LYS A 54 -4.662 1.243 -11.247 1.00 63.43 H new ATOM 0 HZ2 LYS A 54 -3.263 0.399 -11.708 1.00 63.43 H new ATOM 0 HZ3 LYS A 54 -4.662 -0.455 -11.267 1.00 63.43 H new ATOM 871 N GLY A 55 -2.641 -1.396 -4.340 1.00 73.43 N ATOM 872 CA GLY A 55 -3.785 -1.448 -3.433 1.00 41.10 C ATOM 873 C GLY A 55 -4.739 -0.265 -3.570 1.00 13.04 C ATOM 874 O GLY A 55 -4.324 0.850 -3.895 1.00 1.32 O ATOM 0 H GLY A 55 -2.049 -0.572 -4.233 1.00 73.43 H new ATOM 0 HA2 GLY A 55 -4.337 -2.370 -3.614 1.00 41.10 H new ATOM 0 HA3 GLY A 55 -3.420 -1.491 -2.407 1.00 41.10 H new ATOM 878 N GLU A 56 -6.024 -0.519 -3.329 1.00 41.12 N ATOM 879 CA GLU A 56 -7.040 0.538 -3.303 1.00 51.41 C ATOM 880 C GLU A 56 -7.464 0.836 -1.859 1.00 73.25 C ATOM 881 O GLU A 56 -7.829 -0.070 -1.107 1.00 1.43 O ATOM 882 CB GLU A 56 -8.267 0.139 -4.139 1.00 51.34 C ATOM 883 CG GLU A 56 -9.408 1.157 -4.080 1.00 12.13 C ATOM 884 CD GLU A 56 -10.578 0.800 -4.986 1.00 63.22 C ATOM 885 OE1 GLU A 56 -11.376 -0.084 -4.617 1.00 31.14 O ATOM 886 OE2 GLU A 56 -10.705 1.406 -6.074 1.00 23.43 O ATOM 0 H GLU A 56 -6.390 -1.453 -3.148 1.00 41.12 H new ATOM 0 HA GLU A 56 -6.603 1.437 -3.737 1.00 51.41 H new ATOM 0 HB2 GLU A 56 -7.962 0.008 -5.177 1.00 51.34 H new ATOM 0 HB3 GLU A 56 -8.635 -0.826 -3.791 1.00 51.34 H new ATOM 0 HG2 GLU A 56 -9.763 1.236 -3.053 1.00 12.13 H new ATOM 0 HG3 GLU A 56 -9.026 2.138 -4.361 1.00 12.13 H new ATOM 893 N THR A 57 -7.396 2.107 -1.472 1.00 41.33 N ATOM 894 CA THR A 57 -7.797 2.536 -0.126 1.00 32.54 C ATOM 895 C THR A 57 -8.703 3.769 -0.189 1.00 23.24 C ATOM 896 O THR A 57 -8.976 4.302 -1.269 1.00 20.22 O ATOM 897 CB THR A 57 -6.572 2.883 0.764 1.00 34.55 C ATOM 898 OG1 THR A 57 -5.907 4.054 0.261 1.00 63.31 O ATOM 899 CG2 THR A 57 -5.584 1.722 0.830 1.00 62.44 C ATOM 0 H THR A 57 -7.066 2.864 -2.071 1.00 41.33 H new ATOM 0 HA THR A 57 -8.334 1.695 0.313 1.00 32.54 H new ATOM 0 HB THR A 57 -6.940 3.077 1.771 1.00 34.55 H new ATOM 0 HG1 THR A 57 -5.684 3.923 -0.684 1.00 63.31 H new ATOM 0 HG21 THR A 57 -4.739 1.999 1.461 1.00 62.44 H new ATOM 0 HG22 THR A 57 -6.079 0.846 1.250 1.00 62.44 H new ATOM 0 HG23 THR A 57 -5.227 1.490 -0.174 1.00 62.44 H new ATOM 907 N HIS A 58 -9.171 4.223 0.968 1.00 13.12 N ATOM 908 CA HIS A 58 -9.966 5.453 1.042 1.00 1.31 C ATOM 909 C HIS A 58 -9.060 6.697 1.052 1.00 60.24 C ATOM 910 O HIS A 58 -9.525 7.819 0.850 1.00 50.03 O ATOM 911 CB HIS A 58 -10.870 5.423 2.278 1.00 23.43 C ATOM 912 CG HIS A 58 -11.906 4.342 2.214 1.00 61.55 C ATOM 913 ND1 HIS A 58 -13.138 4.515 1.619 1.00 45.01 N ATOM 914 CD2 HIS A 58 -11.883 3.059 2.650 1.00 14.21 C ATOM 915 CE1 HIS A 58 -13.824 3.393 1.693 1.00 14.21 C ATOM 916 NE2 HIS A 58 -13.086 2.497 2.311 1.00 11.53 N ATOM 0 H HIS A 58 -9.017 3.764 1.866 1.00 13.12 H new ATOM 0 HA HIS A 58 -10.595 5.511 0.154 1.00 1.31 H new ATOM 0 HB2 HIS A 58 -10.257 5.280 3.168 1.00 23.43 H new ATOM 0 HB3 HIS A 58 -11.365 6.388 2.384 1.00 23.43 H new ATOM 0 HD2 HIS A 58 -11.070 2.571 3.167 1.00 14.21 H new ATOM 0 HE1 HIS A 58 -14.822 3.236 1.311 1.00 14.21 H new ATOM 0 HE2 HIS A 58 -13.365 1.536 2.507 1.00 11.53 H new ATOM 925 N GLN A 59 -7.767 6.483 1.285 1.00 13.13 N ATOM 926 CA GLN A 59 -6.766 7.550 1.182 1.00 53.34 C ATOM 927 C GLN A 59 -6.336 7.750 -0.285 1.00 41.43 C ATOM 928 O GLN A 59 -6.069 8.872 -0.726 1.00 22.34 O ATOM 929 CB GLN A 59 -5.551 7.202 2.051 1.00 65.53 C ATOM 930 CG GLN A 59 -4.441 8.256 2.051 1.00 25.31 C ATOM 931 CD GLN A 59 -4.865 9.591 2.645 1.00 64.25 C ATOM 932 OE1 GLN A 59 -5.723 9.655 3.519 1.00 25.24 O ATOM 933 NE2 GLN A 59 -4.255 10.668 2.189 1.00 75.42 N ATOM 0 H GLN A 59 -7.383 5.575 1.548 1.00 13.13 H new ATOM 0 HA GLN A 59 -7.205 8.482 1.538 1.00 53.34 H new ATOM 0 HB2 GLN A 59 -5.887 7.048 3.076 1.00 65.53 H new ATOM 0 HB3 GLN A 59 -5.134 6.255 1.707 1.00 65.53 H new ATOM 0 HG2 GLN A 59 -3.589 7.873 2.612 1.00 25.31 H new ATOM 0 HG3 GLN A 59 -4.103 8.415 1.027 1.00 25.31 H new ATOM 0 HE21 GLN A 59 -3.545 10.583 1.461 1.00 75.42 H new ATOM 0 HE22 GLN A 59 -4.493 11.586 2.564 1.00 75.42 H new ATOM 942 N GLY A 60 -6.276 6.647 -1.035 1.00 14.04 N ATOM 943 CA GLY A 60 -5.912 6.707 -2.449 1.00 4.43 C ATOM 944 C GLY A 60 -5.667 5.332 -3.071 1.00 60.41 C ATOM 945 O GLY A 60 -5.805 4.304 -2.405 1.00 74.40 O ATOM 0 H GLY A 60 -6.474 5.708 -0.688 1.00 14.04 H new ATOM 0 HA2 GLY A 60 -6.706 7.211 -3.000 1.00 4.43 H new ATOM 0 HA3 GLY A 60 -5.013 7.313 -2.560 1.00 4.43 H new ATOM 949 N ILE A 61 -5.311 5.317 -4.354 1.00 43.24 N ATOM 950 CA ILE A 61 -4.998 4.070 -5.072 1.00 4.00 C ATOM 951 C ILE A 61 -3.579 4.127 -5.664 1.00 21.55 C ATOM 952 O ILE A 61 -3.217 5.105 -6.321 1.00 65.44 O ATOM 953 CB ILE A 61 -6.004 3.818 -6.226 1.00 33.00 C ATOM 954 CG1 ILE A 61 -7.449 3.870 -5.703 1.00 15.01 C ATOM 955 CG2 ILE A 61 -5.725 2.469 -6.896 1.00 22.12 C ATOM 956 CD1 ILE A 61 -8.494 3.729 -6.791 1.00 74.41 C ATOM 0 H ILE A 61 -5.230 6.157 -4.926 1.00 43.24 H new ATOM 0 HA ILE A 61 -5.067 3.257 -4.349 1.00 4.00 H new ATOM 0 HB ILE A 61 -5.878 4.605 -6.970 1.00 33.00 H new ATOM 0 HG12 ILE A 61 -7.590 3.075 -4.970 1.00 15.01 H new ATOM 0 HG13 ILE A 61 -7.604 4.815 -5.182 1.00 15.01 H new ATOM 0 HG21 ILE A 61 -6.440 2.309 -7.703 1.00 22.12 H new ATOM 0 HG22 ILE A 61 -4.713 2.467 -7.302 1.00 22.12 H new ATOM 0 HG23 ILE A 61 -5.823 1.670 -6.161 1.00 22.12 H new ATOM 0 HD11 ILE A 61 -9.489 3.775 -6.348 1.00 74.41 H new ATOM 0 HD12 ILE A 61 -8.380 4.539 -7.512 1.00 74.41 H new ATOM 0 HD13 ILE A 61 -8.366 2.772 -7.297 1.00 74.41 H new ATOM 968 N GLY A 62 -2.779 3.084 -5.439 1.00 24.13 N ATOM 969 CA GLY A 62 -1.424 3.069 -5.987 1.00 62.04 C ATOM 970 C GLY A 62 -0.564 1.904 -5.501 1.00 63.33 C ATOM 971 O GLY A 62 -1.061 0.953 -4.893 1.00 31.11 O ATOM 0 H GLY A 62 -3.037 2.260 -4.896 1.00 24.13 H new ATOM 0 HA2 GLY A 62 -1.485 3.032 -7.075 1.00 62.04 H new ATOM 0 HA3 GLY A 62 -0.929 4.005 -5.727 1.00 62.04 H new ATOM 975 N LEU A 63 0.737 1.986 -5.782 1.00 41.03 N ATOM 976 CA LEU A 63 1.698 0.942 -5.401 1.00 45.25 C ATOM 977 C LEU A 63 2.281 1.172 -3.997 1.00 20.25 C ATOM 978 O LEU A 63 2.373 2.304 -3.524 1.00 21.52 O ATOM 979 CB LEU A 63 2.853 0.900 -6.413 1.00 12.21 C ATOM 980 CG LEU A 63 2.462 0.574 -7.865 1.00 13.24 C ATOM 981 CD1 LEU A 63 3.680 0.664 -8.779 1.00 2.44 C ATOM 982 CD2 LEU A 63 1.816 -0.809 -7.961 1.00 63.43 C ATOM 0 H LEU A 63 1.156 2.773 -6.278 1.00 41.03 H new ATOM 0 HA LEU A 63 1.156 -0.004 -5.395 1.00 45.25 H new ATOM 0 HB2 LEU A 63 3.356 1.867 -6.401 1.00 12.21 H new ATOM 0 HB3 LEU A 63 3.578 0.159 -6.077 1.00 12.21 H new ATOM 0 HG LEU A 63 1.729 1.311 -8.193 1.00 13.24 H new ATOM 0 HD11 LEU A 63 3.385 0.430 -9.802 1.00 2.44 H new ATOM 0 HD12 LEU A 63 4.090 1.673 -8.741 1.00 2.44 H new ATOM 0 HD13 LEU A 63 4.437 -0.047 -8.448 1.00 2.44 H new ATOM 0 HD21 LEU A 63 1.549 -1.015 -8.998 1.00 63.43 H new ATOM 0 HD22 LEU A 63 2.519 -1.564 -7.611 1.00 63.43 H new ATOM 0 HD23 LEU A 63 0.918 -0.835 -7.343 1.00 63.43 H new ATOM 994 N PHE A 64 2.684 0.084 -3.346 1.00 20.51 N ATOM 995 CA PHE A 64 3.400 0.162 -2.066 1.00 45.15 C ATOM 996 C PHE A 64 4.422 -0.994 -1.937 1.00 62.21 C ATOM 997 O PHE A 64 4.297 -1.865 -1.075 1.00 71.10 O ATOM 998 CB PHE A 64 2.404 0.184 -0.884 1.00 24.34 C ATOM 999 CG PHE A 64 1.425 -0.971 -0.856 1.00 43.43 C ATOM 1000 CD1 PHE A 64 0.367 -1.024 -1.753 1.00 11.40 C ATOM 1001 CD2 PHE A 64 1.561 -1.996 0.072 1.00 11.54 C ATOM 1002 CE1 PHE A 64 -0.528 -2.075 -1.730 1.00 65.32 C ATOM 1003 CE2 PHE A 64 0.665 -3.048 0.099 1.00 64.23 C ATOM 1004 CZ PHE A 64 -0.378 -3.089 -0.803 1.00 73.23 C ATOM 0 H PHE A 64 2.529 -0.867 -3.681 1.00 20.51 H new ATOM 0 HA PHE A 64 3.961 1.096 -2.038 1.00 45.15 H new ATOM 0 HB2 PHE A 64 2.969 0.186 0.048 1.00 24.34 H new ATOM 0 HB3 PHE A 64 1.842 1.117 -0.918 1.00 24.34 H new ATOM 0 HD1 PHE A 64 0.242 -0.233 -2.478 1.00 11.40 H new ATOM 0 HD2 PHE A 64 2.376 -1.970 0.780 1.00 11.54 H new ATOM 0 HE1 PHE A 64 -1.345 -2.105 -2.436 1.00 65.32 H new ATOM 0 HE2 PHE A 64 0.781 -3.838 0.826 1.00 64.23 H new ATOM 0 HZ PHE A 64 -1.076 -3.913 -0.785 1.00 73.23 H new ATOM 1014 N PRO A 65 5.473 -0.995 -2.789 1.00 2.41 N ATOM 1015 CA PRO A 65 6.438 -2.115 -2.880 1.00 23.05 C ATOM 1016 C PRO A 65 7.491 -2.125 -1.754 1.00 13.43 C ATOM 1017 O PRO A 65 8.375 -2.980 -1.728 1.00 22.53 O ATOM 1018 CB PRO A 65 7.101 -1.868 -4.238 1.00 32.43 C ATOM 1019 CG PRO A 65 7.083 -0.386 -4.396 1.00 72.32 C ATOM 1020 CD PRO A 65 5.817 0.098 -3.729 1.00 64.24 C ATOM 0 HA PRO A 65 5.945 -3.082 -2.779 1.00 23.05 H new ATOM 0 HB2 PRO A 65 8.119 -2.257 -4.260 1.00 32.43 H new ATOM 0 HB3 PRO A 65 6.554 -2.360 -5.042 1.00 32.43 H new ATOM 0 HG2 PRO A 65 7.962 0.065 -3.935 1.00 72.32 H new ATOM 0 HG3 PRO A 65 7.098 -0.107 -5.450 1.00 72.32 H new ATOM 0 HD2 PRO A 65 5.976 1.041 -3.205 1.00 64.24 H new ATOM 0 HD3 PRO A 65 5.022 0.267 -4.455 1.00 64.24 H new ATOM 1028 N SER A 66 7.396 -1.170 -0.832 1.00 35.42 N ATOM 1029 CA SER A 66 8.320 -1.094 0.312 1.00 23.11 C ATOM 1030 C SER A 66 8.050 -2.214 1.336 1.00 72.13 C ATOM 1031 O SER A 66 8.874 -2.476 2.213 1.00 50.31 O ATOM 1032 CB SER A 66 8.237 0.290 0.977 1.00 52.04 C ATOM 1033 OG SER A 66 8.588 1.321 0.066 1.00 34.04 O ATOM 0 H SER A 66 6.690 -0.434 -0.849 1.00 35.42 H new ATOM 0 HA SER A 66 9.332 -1.238 -0.066 1.00 23.11 H new ATOM 0 HB2 SER A 66 7.226 0.458 1.348 1.00 52.04 H new ATOM 0 HB3 SER A 66 8.902 0.322 1.840 1.00 52.04 H new ATOM 0 HG SER A 66 7.983 2.083 0.185 1.00 34.04 H new ATOM 1039 N ASN A 67 6.872 -2.849 1.232 1.00 1.41 N ATOM 1040 CA ASN A 67 6.520 -4.029 2.052 1.00 52.12 C ATOM 1041 C ASN A 67 6.382 -3.693 3.549 1.00 31.33 C ATOM 1042 O ASN A 67 6.598 -4.543 4.413 1.00 11.11 O ATOM 1043 CB ASN A 67 7.556 -5.144 1.846 1.00 73.21 C ATOM 1044 CG ASN A 67 7.661 -5.568 0.392 1.00 41.23 C ATOM 1045 OD1 ASN A 67 6.698 -5.476 -0.363 1.00 70.51 O ATOM 1046 ND2 ASN A 67 8.823 -6.035 -0.014 1.00 41.33 N ATOM 0 H ASN A 67 6.138 -2.565 0.583 1.00 1.41 H new ATOM 0 HA ASN A 67 5.542 -4.373 1.715 1.00 52.12 H new ATOM 0 HB2 ASN A 67 8.530 -4.801 2.194 1.00 73.21 H new ATOM 0 HB3 ASN A 67 7.285 -6.006 2.455 1.00 73.21 H new ATOM 0 HD21 ASN A 67 8.943 -6.333 -0.982 1.00 41.33 H new ATOM 0 HD22 ASN A 67 9.604 -6.098 0.639 1.00 41.33 H new ATOM 1053 N PHE A 68 5.972 -2.464 3.839 1.00 73.24 N ATOM 1054 CA PHE A 68 5.786 -1.984 5.219 1.00 61.30 C ATOM 1055 C PHE A 68 4.440 -2.440 5.824 1.00 33.15 C ATOM 1056 O PHE A 68 3.946 -1.844 6.790 1.00 2.24 O ATOM 1057 CB PHE A 68 5.852 -0.452 5.227 1.00 65.43 C ATOM 1058 CG PHE A 68 4.863 0.177 4.278 1.00 55.14 C ATOM 1059 CD1 PHE A 68 5.207 0.389 2.957 1.00 41.51 C ATOM 1060 CD2 PHE A 68 3.590 0.527 4.698 1.00 64.14 C ATOM 1061 CE1 PHE A 68 4.310 0.943 2.068 1.00 51.01 C ATOM 1062 CE2 PHE A 68 2.685 1.078 3.815 1.00 24.05 C ATOM 1063 CZ PHE A 68 3.045 1.288 2.498 1.00 65.21 C ATOM 0 H PHE A 68 5.757 -1.765 3.128 1.00 73.24 H new ATOM 0 HA PHE A 68 6.581 -2.412 5.830 1.00 61.30 H new ATOM 0 HB2 PHE A 68 5.662 -0.089 6.237 1.00 65.43 H new ATOM 0 HB3 PHE A 68 6.860 -0.134 4.959 1.00 65.43 H new ATOM 0 HD1 PHE A 68 6.194 0.116 2.615 1.00 41.51 H new ATOM 0 HD2 PHE A 68 3.303 0.367 5.727 1.00 64.14 H new ATOM 0 HE1 PHE A 68 4.596 1.106 1.040 1.00 51.01 H new ATOM 0 HE2 PHE A 68 1.695 1.345 4.153 1.00 24.05 H new ATOM 0 HZ PHE A 68 2.338 1.721 1.806 1.00 65.21 H new ATOM 1073 N VAL A 69 3.857 -3.500 5.275 1.00 51.55 N ATOM 1074 CA VAL A 69 2.531 -3.962 5.702 1.00 64.11 C ATOM 1075 C VAL A 69 2.582 -5.393 6.251 1.00 54.32 C ATOM 1076 O VAL A 69 3.539 -6.129 6.015 1.00 41.31 O ATOM 1077 CB VAL A 69 1.505 -3.891 4.539 1.00 40.21 C ATOM 1078 CG1 VAL A 69 1.260 -2.442 4.116 1.00 15.32 C ATOM 1079 CG2 VAL A 69 1.977 -4.726 3.348 1.00 14.31 C ATOM 0 H VAL A 69 4.278 -4.059 4.533 1.00 51.55 H new ATOM 0 HA VAL A 69 2.208 -3.293 6.499 1.00 64.11 H new ATOM 0 HB VAL A 69 0.562 -4.305 4.896 1.00 40.21 H new ATOM 0 HG11 VAL A 69 0.538 -2.418 3.300 1.00 15.32 H new ATOM 0 HG12 VAL A 69 0.870 -1.877 4.962 1.00 15.32 H new ATOM 0 HG13 VAL A 69 2.198 -1.996 3.784 1.00 15.32 H new ATOM 0 HG21 VAL A 69 1.243 -4.662 2.545 1.00 14.31 H new ATOM 0 HG22 VAL A 69 2.936 -4.346 2.995 1.00 14.31 H new ATOM 0 HG23 VAL A 69 2.089 -5.766 3.654 1.00 14.31 H new ATOM 1089 N THR A 70 1.544 -5.775 6.990 1.00 1.03 N ATOM 1090 CA THR A 70 1.469 -7.106 7.610 1.00 41.53 C ATOM 1091 C THR A 70 0.109 -7.773 7.364 1.00 53.43 C ATOM 1092 O THR A 70 -0.851 -7.123 6.940 1.00 31.53 O ATOM 1093 CB THR A 70 1.725 -7.035 9.138 1.00 13.34 C ATOM 1094 OG1 THR A 70 1.646 -8.347 9.723 1.00 63.05 O ATOM 1095 CG2 THR A 70 0.720 -6.108 9.817 1.00 10.24 C ATOM 0 H THR A 70 0.736 -5.182 7.178 1.00 1.03 H new ATOM 0 HA THR A 70 2.248 -7.707 7.141 1.00 41.53 H new ATOM 0 HB THR A 70 2.727 -6.635 9.291 1.00 13.34 H new ATOM 0 HG1 THR A 70 0.848 -8.405 10.289 1.00 63.05 H new ATOM 0 HG21 THR A 70 0.921 -6.075 10.888 1.00 10.24 H new ATOM 0 HG22 THR A 70 0.811 -5.105 9.400 1.00 10.24 H new ATOM 0 HG23 THR A 70 -0.290 -6.481 9.649 1.00 10.24 H new ATOM 1103 N ALA A 71 0.032 -9.072 7.639 1.00 45.11 N ATOM 1104 CA ALA A 71 -1.198 -9.846 7.433 1.00 31.05 C ATOM 1105 C ALA A 71 -1.599 -10.609 8.707 1.00 31.24 C ATOM 1106 O ALA A 71 -1.029 -11.657 9.022 1.00 75.03 O ATOM 1107 CB ALA A 71 -1.022 -10.809 6.263 1.00 45.21 C ATOM 0 H ALA A 71 0.811 -9.618 8.008 1.00 45.11 H new ATOM 0 HA ALA A 71 -2.003 -9.149 7.199 1.00 31.05 H new ATOM 0 HB1 ALA A 71 -1.940 -11.378 6.119 1.00 45.21 H new ATOM 0 HB2 ALA A 71 -0.799 -10.245 5.358 1.00 45.21 H new ATOM 0 HB3 ALA A 71 -0.201 -11.493 6.475 1.00 45.21 H new ATOM 1113 N ASP A 72 -2.576 -10.074 9.437 1.00 64.02 N ATOM 1114 CA ASP A 72 -3.041 -10.685 10.690 1.00 14.35 C ATOM 1115 C ASP A 72 -4.524 -11.107 10.596 1.00 43.22 C ATOM 1116 O ASP A 72 -5.416 -10.260 10.849 1.00 38.94 O ATOM 1117 CB ASP A 72 -2.830 -9.706 11.852 1.00 32.14 C ATOM 1118 CG ASP A 72 -1.373 -9.317 12.035 1.00 55.42 C ATOM 1119 OD1 ASP A 72 -0.922 -8.341 11.395 1.00 4.23 O ATOM 1120 OD2 ASP A 72 -0.670 -9.975 12.828 1.00 44.11 O ATOM 1121 OXT ASP A 72 -4.795 -12.280 10.253 1.00 38.94 O ATOM 0 H ASP A 72 -3.065 -9.215 9.185 1.00 64.02 H new ATOM 0 HA ASP A 72 -2.456 -11.587 10.870 1.00 14.35 H new ATOM 0 HB2 ASP A 72 -3.422 -8.808 11.677 1.00 32.14 H new ATOM 0 HB3 ASP A 72 -3.200 -10.157 12.773 1.00 32.14 H new TER 1126 ASP A 72