USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 82 SER OG : rot 63:sc= 1.08 USER MOD Set 1.2: A 83 ASN : amide:sc= -0.993 X(o=0.089,f=0.46) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -11.4! C(o=-16!,f=-18!) USER MOD Set 2.2: A 74 SER OG : rot 70:sc= -4.09! USER MOD Set 2.3: A 78 THR OG1 : rot 90:sc= -0.588 USER MOD Set 3.1: A 70 GLN : amide:sc= -1.58 X(o=-0.65,f=-0.73!) USER MOD Set 3.2: A 90 SER OG : rot -26:sc= 0.932 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0653 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 45:sc= 1.03 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 80:sc= -0.248 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.65 K(o=-1.7,f=-6.8!) USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= -0.115 (180deg=-1.09) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 39:sc= 0.811 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 71:sc= 1.06 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.816 K(o=-0.82,f=-2.8!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.8!) USER MOD Single : A 81 ASN : amide:sc= -2.85! C(o=-2.8!,f=-6.8!) USER MOD Single : A 89 THR OG1 : rot -26:sc= -0.531! USER MOD Single : A 92 ASN : amide:sc= -0.703 K(o=-0.7,f=-3.5!) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= 1.14 (180deg=1.05) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0239 USER MOD Single : A 106 SER OG : rot 180:sc= -1.02 USER MOD Single : A 110 ASN : amide:sc= -4.14! K(o=-4.1!,f=-1.4) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 28:sc= 0.853 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.289 -17.627 -25.527 1.00 0.00 N ATOM 2 CA GLY A 1 -18.191 -17.537 -24.080 1.00 0.00 C ATOM 3 C GLY A 1 -19.191 -16.521 -23.524 1.00 0.00 C ATOM 4 O GLY A 1 -19.744 -15.716 -24.272 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.731 -18.531 -25.789 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.869 -16.842 -25.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.338 -17.573 -25.943 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.378 -18.516 -23.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.179 -17.248 -23.798 1.00 0.00 H new ATOM 8 N SER A 2 -19.392 -16.591 -22.217 1.00 0.00 N ATOM 9 CA SER A 2 -20.316 -15.688 -21.552 1.00 0.00 C ATOM 10 C SER A 2 -19.720 -15.213 -20.225 1.00 0.00 C ATOM 11 O SER A 2 -18.981 -15.950 -19.574 1.00 0.00 O ATOM 12 CB SER A 2 -21.670 -16.359 -21.316 1.00 0.00 C ATOM 13 OG SER A 2 -22.731 -15.411 -21.244 1.00 0.00 O ATOM 0 H SER A 2 -18.931 -17.259 -21.600 1.00 0.00 H new ATOM 0 HA SER A 2 -20.477 -14.826 -22.200 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.870 -17.066 -22.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.633 -16.933 -20.390 1.00 0.00 H new ATOM 0 HG SER A 2 -23.579 -15.879 -21.094 1.00 0.00 H new ATOM 19 N SER A 3 -20.065 -13.986 -19.863 1.00 0.00 N ATOM 20 CA SER A 3 -19.574 -13.405 -18.625 1.00 0.00 C ATOM 21 C SER A 3 -20.102 -14.199 -17.429 1.00 0.00 C ATOM 22 O SER A 3 -21.271 -14.583 -17.401 1.00 0.00 O ATOM 23 CB SER A 3 -19.980 -11.935 -18.508 1.00 0.00 C ATOM 24 OG SER A 3 -18.867 -11.096 -18.210 1.00 0.00 O ATOM 0 H SER A 3 -20.679 -13.378 -20.405 1.00 0.00 H new ATOM 0 HA SER A 3 -18.485 -13.453 -18.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.439 -11.610 -19.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.734 -11.828 -17.728 1.00 0.00 H new ATOM 0 HG SER A 3 -19.167 -10.165 -18.145 1.00 0.00 H new ATOM 30 N GLY A 4 -19.217 -14.421 -16.469 1.00 0.00 N ATOM 31 CA GLY A 4 -19.579 -15.162 -15.273 1.00 0.00 C ATOM 32 C GLY A 4 -20.321 -14.267 -14.277 1.00 0.00 C ATOM 33 O GLY A 4 -20.743 -13.165 -14.623 1.00 0.00 O ATOM 0 H GLY A 4 -18.249 -14.100 -16.495 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.207 -16.011 -15.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.681 -15.566 -14.805 1.00 0.00 H new ATOM 37 N SER A 5 -20.457 -14.775 -13.061 1.00 0.00 N ATOM 38 CA SER A 5 -21.140 -14.036 -12.013 1.00 0.00 C ATOM 39 C SER A 5 -20.181 -13.031 -11.371 1.00 0.00 C ATOM 40 O SER A 5 -19.008 -13.336 -11.158 1.00 0.00 O ATOM 41 CB SER A 5 -21.707 -14.981 -10.952 1.00 0.00 C ATOM 42 OG SER A 5 -22.893 -14.464 -10.356 1.00 0.00 O ATOM 0 H SER A 5 -20.106 -15.690 -12.778 1.00 0.00 H new ATOM 0 HA SER A 5 -21.974 -13.497 -12.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.921 -15.949 -11.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.957 -15.150 -10.179 1.00 0.00 H new ATOM 0 HG SER A 5 -23.225 -15.097 -9.685 1.00 0.00 H new ATOM 48 N SER A 6 -20.715 -11.854 -11.080 1.00 0.00 N ATOM 49 CA SER A 6 -19.921 -10.803 -10.467 1.00 0.00 C ATOM 50 C SER A 6 -19.679 -11.124 -8.991 1.00 0.00 C ATOM 51 O SER A 6 -20.509 -11.764 -8.347 1.00 0.00 O ATOM 52 CB SER A 6 -20.605 -9.442 -10.608 1.00 0.00 C ATOM 53 OG SER A 6 -19.975 -8.628 -11.594 1.00 0.00 O ATOM 0 H SER A 6 -21.688 -11.605 -11.257 1.00 0.00 H new ATOM 0 HA SER A 6 -18.963 -10.753 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.652 -9.588 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.589 -8.927 -9.648 1.00 0.00 H new ATOM 0 HG SER A 6 -20.442 -7.768 -11.655 1.00 0.00 H new ATOM 59 N GLY A 7 -18.538 -10.666 -8.497 1.00 0.00 N ATOM 60 CA GLY A 7 -18.176 -10.896 -7.109 1.00 0.00 C ATOM 61 C GLY A 7 -16.657 -10.868 -6.926 1.00 0.00 C ATOM 62 O GLY A 7 -15.918 -11.381 -7.765 1.00 0.00 O ATOM 0 H GLY A 7 -17.852 -10.136 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.636 -10.135 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.567 -11.859 -6.782 1.00 0.00 H new ATOM 66 N MET A 8 -16.237 -10.262 -5.825 1.00 0.00 N ATOM 67 CA MET A 8 -14.820 -10.160 -5.522 1.00 0.00 C ATOM 68 C MET A 8 -14.530 -10.628 -4.094 1.00 0.00 C ATOM 69 O MET A 8 -15.159 -10.163 -3.145 1.00 0.00 O ATOM 70 CB MET A 8 -14.366 -8.709 -5.686 1.00 0.00 C ATOM 71 CG MET A 8 -15.133 -7.783 -4.740 1.00 0.00 C ATOM 72 SD MET A 8 -15.764 -6.377 -5.639 1.00 0.00 S ATOM 73 CE MET A 8 -16.245 -5.328 -4.277 1.00 0.00 C ATOM 0 H MET A 8 -16.853 -9.837 -5.132 1.00 0.00 H new ATOM 0 HA MET A 8 -14.273 -10.801 -6.213 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.297 -8.634 -5.486 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.521 -8.390 -6.717 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.955 -8.326 -4.274 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.478 -7.447 -3.937 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.663 -4.399 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.994 -5.839 -3.671 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.372 -5.105 -3.663 1.00 0.00 H new ATOM 83 N VAL A 9 -13.577 -11.542 -3.987 1.00 0.00 N ATOM 84 CA VAL A 9 -13.196 -12.077 -2.691 1.00 0.00 C ATOM 85 C VAL A 9 -11.930 -11.370 -2.204 1.00 0.00 C ATOM 86 O VAL A 9 -11.502 -11.568 -1.068 1.00 0.00 O ATOM 87 CB VAL A 9 -13.035 -13.596 -2.779 1.00 0.00 C ATOM 88 CG1 VAL A 9 -14.286 -14.246 -3.374 1.00 0.00 C ATOM 89 CG2 VAL A 9 -11.788 -13.970 -3.583 1.00 0.00 C ATOM 0 H VAL A 9 -13.057 -11.926 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.978 -11.888 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.908 -13.978 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.146 -15.326 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.147 -14.022 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.458 -13.854 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.697 -15.055 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.872 -13.569 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.905 -13.553 -3.100 1.00 0.00 H new ATOM 99 N THR A 10 -11.366 -10.559 -3.088 1.00 0.00 N ATOM 100 CA THR A 10 -10.157 -9.821 -2.762 1.00 0.00 C ATOM 101 C THR A 10 -10.510 -8.461 -2.158 1.00 0.00 C ATOM 102 O THR A 10 -11.158 -7.640 -2.804 1.00 0.00 O ATOM 103 CB THR A 10 -9.308 -9.721 -4.031 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.339 -11.038 -4.574 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.828 -9.478 -3.727 1.00 0.00 C ATOM 0 H THR A 10 -11.724 -10.397 -4.029 1.00 0.00 H new ATOM 0 HA THR A 10 -9.571 -10.337 -2.002 1.00 0.00 H new ATOM 0 HB THR A 10 -9.687 -8.915 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.814 -11.063 -5.401 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.270 -9.415 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.718 -8.544 -3.175 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.440 -10.301 -3.127 1.00 0.00 H new ATOM 113 N PRO A 11 -10.056 -8.259 -0.892 1.00 0.00 N ATOM 114 CA PRO A 11 -10.316 -7.012 -0.193 1.00 0.00 C ATOM 115 C PRO A 11 -9.428 -5.887 -0.729 1.00 0.00 C ATOM 116 O PRO A 11 -8.288 -6.127 -1.125 1.00 0.00 O ATOM 117 CB PRO A 11 -10.063 -7.322 1.273 1.00 0.00 C ATOM 118 CG PRO A 11 -9.226 -8.591 1.292 1.00 0.00 C ATOM 119 CD PRO A 11 -9.285 -9.209 -0.095 1.00 0.00 C ATOM 0 HA PRO A 11 -11.334 -6.652 -0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.538 -6.501 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.001 -7.465 1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.195 -8.364 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.608 -9.289 2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.286 -9.353 -0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.764 -10.188 -0.072 1.00 0.00 H new ATOM 127 N SER A 12 -9.983 -4.684 -0.723 1.00 0.00 N ATOM 128 CA SER A 12 -9.255 -3.522 -1.203 1.00 0.00 C ATOM 129 C SER A 12 -8.072 -3.227 -0.280 1.00 0.00 C ATOM 130 O SER A 12 -8.121 -3.525 0.913 1.00 0.00 O ATOM 131 CB SER A 12 -10.171 -2.300 -1.299 1.00 0.00 C ATOM 132 OG SER A 12 -9.434 -1.080 -1.300 1.00 0.00 O ATOM 0 H SER A 12 -10.928 -4.489 -0.393 1.00 0.00 H new ATOM 0 HA SER A 12 -8.881 -3.742 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.767 -2.364 -2.209 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.868 -2.302 -0.461 1.00 0.00 H new ATOM 0 HG SER A 12 -8.670 -1.160 -1.908 1.00 0.00 H new ATOM 138 N LEU A 13 -7.035 -2.646 -0.866 1.00 0.00 N ATOM 139 CA LEU A 13 -5.841 -2.308 -0.110 1.00 0.00 C ATOM 140 C LEU A 13 -5.965 -0.878 0.418 1.00 0.00 C ATOM 141 O LEU A 13 -5.959 0.077 -0.357 1.00 0.00 O ATOM 142 CB LEU A 13 -4.587 -2.545 -0.955 1.00 0.00 C ATOM 143 CG LEU A 13 -3.253 -2.468 -0.211 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.236 -3.420 0.986 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.080 -2.720 -1.161 1.00 0.00 C ATOM 0 H LEU A 13 -6.997 -2.401 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.741 -2.961 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.666 -3.528 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.573 -1.813 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.139 -1.457 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.276 -3.345 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.036 -3.152 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.384 -4.443 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.143 -2.660 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.177 -3.712 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.083 -1.969 -1.951 1.00 0.00 H new ATOM 157 N ARG A 14 -6.074 -0.774 1.735 1.00 0.00 N ATOM 158 CA ARG A 14 -6.199 0.523 2.376 1.00 0.00 C ATOM 159 C ARG A 14 -4.941 0.839 3.187 1.00 0.00 C ATOM 160 O ARG A 14 -4.754 0.309 4.281 1.00 0.00 O ATOM 161 CB ARG A 14 -7.417 0.566 3.301 1.00 0.00 C ATOM 162 CG ARG A 14 -7.554 1.937 3.965 1.00 0.00 C ATOM 163 CD ARG A 14 -8.274 1.825 5.311 1.00 0.00 C ATOM 164 NE ARG A 14 -9.370 2.817 5.382 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.067 3.087 6.494 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.787 2.441 7.634 1.00 0.00 N ATOM 167 NH2 ARG A 14 -11.045 4.003 6.466 1.00 0.00 N ATOM 0 H ARG A 14 -6.078 -1.568 2.375 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.326 1.269 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.319 0.342 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.324 -0.205 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.566 2.374 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.106 2.610 3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.674 0.819 5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.569 1.991 6.125 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.610 3.327 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.043 1.744 7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.318 2.647 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.259 4.495 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.576 4.209 7.313 1.00 0.00 H new ATOM 181 N LEU A 15 -4.109 1.699 2.618 1.00 0.00 N ATOM 182 CA LEU A 15 -2.873 2.091 3.275 1.00 0.00 C ATOM 183 C LEU A 15 -3.139 3.303 4.169 1.00 0.00 C ATOM 184 O LEU A 15 -3.423 4.394 3.676 1.00 0.00 O ATOM 185 CB LEU A 15 -1.767 2.319 2.242 1.00 0.00 C ATOM 186 CG LEU A 15 -1.291 1.078 1.484 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.460 1.468 0.261 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.534 0.126 2.412 1.00 0.00 C ATOM 0 H LEU A 15 -4.266 2.135 1.710 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.514 1.290 3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.121 3.051 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.910 2.762 2.749 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.168 0.543 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.134 0.568 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.065 2.077 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.412 2.038 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.207 -0.748 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.335 0.637 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.190 -0.190 3.223 1.00 0.00 H new ATOM 200 N VAL A 16 -3.036 3.073 5.470 1.00 0.00 N ATOM 201 CA VAL A 16 -3.261 4.132 6.438 1.00 0.00 C ATOM 202 C VAL A 16 -1.918 4.582 7.018 1.00 0.00 C ATOM 203 O VAL A 16 -1.157 3.766 7.534 1.00 0.00 O ATOM 204 CB VAL A 16 -4.247 3.662 7.510 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.600 4.801 8.468 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.506 3.069 6.874 1.00 0.00 C ATOM 0 H VAL A 16 -2.799 2.168 5.876 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.714 4.998 5.956 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.763 2.876 8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.302 4.440 9.220 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.694 5.157 8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.056 5.618 7.909 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.190 2.743 7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.993 3.825 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.233 2.216 6.253 1.00 0.00 H new ATOM 216 N PHE A 17 -1.669 5.879 6.912 1.00 0.00 N ATOM 217 CA PHE A 17 -0.431 6.446 7.419 1.00 0.00 C ATOM 218 C PHE A 17 -0.548 6.774 8.909 1.00 0.00 C ATOM 219 O PHE A 17 -0.970 7.869 9.277 1.00 0.00 O ATOM 220 CB PHE A 17 -0.181 7.741 6.643 1.00 0.00 C ATOM 221 CG PHE A 17 0.395 7.525 5.242 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.742 7.472 5.062 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.440 7.387 4.177 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.277 7.272 3.762 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.095 7.186 2.877 1.00 0.00 C ATOM 226 CZ PHE A 17 1.442 7.133 2.697 1.00 0.00 C ATOM 0 H PHE A 17 -2.303 6.553 6.483 1.00 0.00 H new ATOM 0 HA PHE A 17 0.383 5.732 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.119 8.289 6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.504 8.368 7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.405 7.582 5.908 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.510 7.430 4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.347 7.230 3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.568 7.075 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.849 6.981 1.708 1.00 0.00 H new ATOM 236 N VAL A 18 -0.166 5.804 9.727 1.00 0.00 N ATOM 237 CA VAL A 18 -0.223 5.975 11.169 1.00 0.00 C ATOM 238 C VAL A 18 0.938 6.865 11.618 1.00 0.00 C ATOM 239 O VAL A 18 0.836 7.561 12.628 1.00 0.00 O ATOM 240 CB VAL A 18 -0.230 4.609 11.858 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.570 3.899 11.654 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.931 3.741 11.368 1.00 0.00 C ATOM 0 H VAL A 18 0.184 4.897 9.419 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.147 6.475 11.459 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.097 4.773 12.927 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.548 2.931 12.154 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.371 4.506 12.075 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.746 3.754 10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.902 2.776 11.874 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.843 3.590 10.292 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.875 4.238 11.589 1.00 0.00 H new ATOM 252 N LYS A 19 2.014 6.814 10.847 1.00 0.00 N ATOM 253 CA LYS A 19 3.192 7.608 11.153 1.00 0.00 C ATOM 254 C LYS A 19 3.691 8.285 9.876 1.00 0.00 C ATOM 255 O LYS A 19 3.055 8.188 8.828 1.00 0.00 O ATOM 256 CB LYS A 19 4.251 6.749 11.848 1.00 0.00 C ATOM 257 CG LYS A 19 3.753 6.258 13.209 1.00 0.00 C ATOM 258 CD LYS A 19 4.793 6.519 14.300 1.00 0.00 C ATOM 259 CE LYS A 19 4.248 6.143 15.679 1.00 0.00 C ATOM 260 NZ LYS A 19 5.073 6.751 16.746 1.00 0.00 N ATOM 0 H LYS A 19 2.095 6.235 10.011 1.00 0.00 H new ATOM 0 HA LYS A 19 2.944 8.401 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.502 5.895 11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.165 7.328 11.979 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.820 6.762 13.462 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.535 5.191 13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.695 5.944 14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.077 7.571 14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.216 6.480 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.241 5.059 15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.689 6.486 17.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.052 6.409 16.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.059 7.786 16.648 1.00 0.00 H new ATOM 274 N GLY A 20 4.826 8.958 10.005 1.00 0.00 N ATOM 275 CA GLY A 20 5.418 9.651 8.874 1.00 0.00 C ATOM 276 C GLY A 20 4.891 11.084 8.773 1.00 0.00 C ATOM 277 O GLY A 20 4.123 11.529 9.625 1.00 0.00 O ATOM 0 H GLY A 20 5.351 9.038 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.503 9.665 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.194 9.111 7.954 1.00 0.00 H new ATOM 281 N PRO A 21 5.336 11.786 7.696 1.00 0.00 N ATOM 282 CA PRO A 21 4.917 13.159 7.473 1.00 0.00 C ATOM 283 C PRO A 21 3.477 13.217 6.959 1.00 0.00 C ATOM 284 O PRO A 21 2.845 14.272 6.989 1.00 0.00 O ATOM 285 CB PRO A 21 5.924 13.721 6.482 1.00 0.00 C ATOM 286 CG PRO A 21 6.588 12.516 5.834 1.00 0.00 C ATOM 287 CD PRO A 21 6.245 11.291 6.666 1.00 0.00 C ATOM 0 HA PRO A 21 4.906 13.749 8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.431 14.344 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.659 14.348 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.237 12.392 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.668 12.655 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.773 10.519 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.139 10.848 7.106 1.00 0.00 H new ATOM 295 N ARG A 22 3.000 12.069 6.499 1.00 0.00 N ATOM 296 CA ARG A 22 1.646 11.976 5.980 1.00 0.00 C ATOM 297 C ARG A 22 0.713 11.378 7.035 1.00 0.00 C ATOM 298 O ARG A 22 -0.466 11.151 6.768 1.00 0.00 O ATOM 299 CB ARG A 22 1.599 11.112 4.718 1.00 0.00 C ATOM 300 CG ARG A 22 2.783 11.417 3.800 1.00 0.00 C ATOM 301 CD ARG A 22 2.322 11.603 2.353 1.00 0.00 C ATOM 302 NE ARG A 22 1.676 10.364 1.864 1.00 0.00 N ATOM 303 CZ ARG A 22 1.070 10.251 0.675 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.022 11.302 -0.155 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.511 9.088 0.315 1.00 0.00 N ATOM 0 H ARG A 22 3.527 11.196 6.475 1.00 0.00 H new ATOM 0 HA ARG A 22 1.316 12.984 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.611 10.058 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.665 11.291 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.290 12.319 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.507 10.604 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.623 12.437 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.174 11.853 1.721 1.00 0.00 H new ATOM 0 HE ARG A 22 1.694 9.544 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.447 12.188 0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.561 11.216 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.547 8.288 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.050 9.003 -0.591 1.00 0.00 H new ATOM 319 N GLU A 23 1.276 11.140 8.210 1.00 0.00 N ATOM 320 CA GLU A 23 0.509 10.573 9.306 1.00 0.00 C ATOM 321 C GLU A 23 -0.895 11.180 9.342 1.00 0.00 C ATOM 322 O GLU A 23 -1.047 12.395 9.460 1.00 0.00 O ATOM 323 CB GLU A 23 1.228 10.776 10.642 1.00 0.00 C ATOM 324 CG GLU A 23 0.321 10.402 11.815 1.00 0.00 C ATOM 325 CD GLU A 23 -0.156 11.651 12.559 1.00 0.00 C ATOM 326 OE1 GLU A 23 0.703 12.290 13.205 1.00 0.00 O ATOM 327 OE2 GLU A 23 -1.369 11.939 12.466 1.00 0.00 O ATOM 0 H GLU A 23 2.254 11.329 8.427 1.00 0.00 H new ATOM 0 HA GLU A 23 0.416 9.500 9.140 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.132 10.168 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.541 11.816 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.539 9.841 11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.859 9.749 12.502 1.00 0.00 H new ATOM 334 N GLY A 24 -1.886 10.307 9.238 1.00 0.00 N ATOM 335 CA GLY A 24 -3.272 10.742 9.256 1.00 0.00 C ATOM 336 C GLY A 24 -3.899 10.634 7.865 1.00 0.00 C ATOM 337 O GLY A 24 -5.048 11.025 7.666 1.00 0.00 O ATOM 0 H GLY A 24 -1.756 9.300 9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.838 10.135 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.329 11.773 9.605 1.00 0.00 H new ATOM 341 N ASP A 25 -3.116 10.102 6.937 1.00 0.00 N ATOM 342 CA ASP A 25 -3.581 9.938 5.570 1.00 0.00 C ATOM 343 C ASP A 25 -3.953 8.473 5.335 1.00 0.00 C ATOM 344 O ASP A 25 -3.431 7.581 6.002 1.00 0.00 O ATOM 345 CB ASP A 25 -2.487 10.315 4.568 1.00 0.00 C ATOM 346 CG ASP A 25 -2.624 11.710 3.956 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.752 12.246 4.012 1.00 0.00 O ATOM 348 OD2 ASP A 25 -1.597 12.209 3.447 1.00 0.00 O ATOM 0 H ASP A 25 -2.163 9.779 7.105 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.443 10.590 5.426 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.520 10.247 5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.484 9.580 3.763 1.00 0.00 H new ATOM 353 N ALA A 26 -4.853 8.270 4.384 1.00 0.00 N ATOM 354 CA ALA A 26 -5.302 6.928 4.053 1.00 0.00 C ATOM 355 C ALA A 26 -5.718 6.883 2.581 1.00 0.00 C ATOM 356 O ALA A 26 -6.246 7.860 2.052 1.00 0.00 O ATOM 357 CB ALA A 26 -6.439 6.523 4.993 1.00 0.00 C ATOM 0 H ALA A 26 -5.283 9.012 3.832 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.495 6.209 4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.776 5.516 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.084 6.543 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.269 7.221 4.882 1.00 0.00 H new ATOM 363 N LEU A 27 -5.463 5.740 1.962 1.00 0.00 N ATOM 364 CA LEU A 27 -5.804 5.555 0.562 1.00 0.00 C ATOM 365 C LEU A 27 -6.566 4.238 0.396 1.00 0.00 C ATOM 366 O LEU A 27 -6.703 3.472 1.349 1.00 0.00 O ATOM 367 CB LEU A 27 -4.553 5.656 -0.313 1.00 0.00 C ATOM 368 CG LEU A 27 -3.664 6.878 -0.074 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.187 6.482 -0.029 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.935 7.965 -1.116 1.00 0.00 C ATOM 0 H LEU A 27 -5.024 4.932 2.404 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.466 6.352 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.953 4.759 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.864 5.656 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.914 7.297 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.577 7.369 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.026 5.770 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.904 6.025 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.290 8.822 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.730 7.573 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.978 8.275 -1.056 1.00 0.00 H new ATOM 382 N ASP A 28 -7.041 4.015 -0.820 1.00 0.00 N ATOM 383 CA ASP A 28 -7.785 2.804 -1.122 1.00 0.00 C ATOM 384 C ASP A 28 -7.539 2.410 -2.580 1.00 0.00 C ATOM 385 O ASP A 28 -7.446 3.272 -3.453 1.00 0.00 O ATOM 386 CB ASP A 28 -9.288 3.020 -0.938 1.00 0.00 C ATOM 387 CG ASP A 28 -9.993 3.696 -2.116 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.760 4.911 -2.295 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.749 2.983 -2.810 1.00 0.00 O ATOM 0 H ASP A 28 -6.925 4.652 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.447 2.022 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.759 2.054 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.446 3.624 -0.044 1.00 0.00 H new ATOM 394 N TYR A 29 -7.440 1.107 -2.799 1.00 0.00 N ATOM 395 CA TYR A 29 -7.207 0.589 -4.136 1.00 0.00 C ATOM 396 C TYR A 29 -7.915 -0.753 -4.335 1.00 0.00 C ATOM 397 O TYR A 29 -8.125 -1.496 -3.378 1.00 0.00 O ATOM 398 CB TYR A 29 -5.696 0.377 -4.249 1.00 0.00 C ATOM 399 CG TYR A 29 -4.872 1.649 -4.042 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.685 2.528 -5.089 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.316 1.917 -2.808 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.910 3.726 -4.894 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.540 3.115 -2.613 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.375 3.960 -3.666 1.00 0.00 C ATOM 405 OH TYR A 29 -2.643 5.091 -3.482 1.00 0.00 O ATOM 0 H TYR A 29 -7.517 0.395 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.589 1.280 -4.887 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.388 -0.367 -3.514 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.470 -0.034 -5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.120 2.318 -6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.462 1.229 -1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.757 4.423 -5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.099 3.337 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.245 5.852 -3.349 1.00 0.00 H new ATOM 415 N LYS A 30 -8.263 -1.023 -5.585 1.00 0.00 N ATOM 416 CA LYS A 30 -8.943 -2.262 -5.922 1.00 0.00 C ATOM 417 C LYS A 30 -7.929 -3.408 -5.930 1.00 0.00 C ATOM 418 O LYS A 30 -6.722 -3.174 -5.962 1.00 0.00 O ATOM 419 CB LYS A 30 -9.712 -2.112 -7.236 1.00 0.00 C ATOM 420 CG LYS A 30 -11.157 -1.680 -6.979 1.00 0.00 C ATOM 421 CD LYS A 30 -11.982 -1.734 -8.266 1.00 0.00 C ATOM 422 CE LYS A 30 -13.355 -1.088 -8.065 1.00 0.00 C ATOM 423 NZ LYS A 30 -14.364 -2.114 -7.717 1.00 0.00 N ATOM 0 H LYS A 30 -8.087 -0.405 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.692 -2.503 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.216 -1.377 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.702 -3.058 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.606 -2.329 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.171 -0.667 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.448 -1.221 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.106 -2.771 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.300 -0.341 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.655 -0.568 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.290 -1.659 -7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.428 -2.812 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.084 -2.592 -6.837 1.00 0.00 H new ATOM 437 N PRO A 31 -8.472 -4.655 -5.900 1.00 0.00 N ATOM 438 CA PRO A 31 -7.628 -5.838 -5.904 1.00 0.00 C ATOM 439 C PRO A 31 -7.042 -6.089 -7.295 1.00 0.00 C ATOM 440 O PRO A 31 -7.772 -6.117 -8.284 1.00 0.00 O ATOM 441 CB PRO A 31 -8.530 -6.966 -5.427 1.00 0.00 C ATOM 442 CG PRO A 31 -9.954 -6.470 -5.619 1.00 0.00 C ATOM 443 CD PRO A 31 -9.897 -4.970 -5.862 1.00 0.00 C ATOM 0 HA PRO A 31 -6.760 -5.737 -5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.353 -7.876 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.337 -7.205 -4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.424 -6.976 -6.463 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.557 -6.691 -4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.387 -4.701 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.403 -4.421 -5.068 1.00 0.00 H new ATOM 451 N GLY A 32 -5.729 -6.266 -7.325 1.00 0.00 N ATOM 452 CA GLY A 32 -5.036 -6.514 -8.578 1.00 0.00 C ATOM 453 C GLY A 32 -4.427 -5.224 -9.132 1.00 0.00 C ATOM 454 O GLY A 32 -4.057 -5.161 -10.303 1.00 0.00 O ATOM 0 H GLY A 32 -5.127 -6.243 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.251 -7.254 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.731 -6.934 -9.305 1.00 0.00 H new ATOM 458 N SER A 33 -4.339 -4.228 -8.263 1.00 0.00 N ATOM 459 CA SER A 33 -3.781 -2.944 -8.650 1.00 0.00 C ATOM 460 C SER A 33 -2.478 -2.689 -7.889 1.00 0.00 C ATOM 461 O SER A 33 -2.488 -2.528 -6.670 1.00 0.00 O ATOM 462 CB SER A 33 -4.776 -1.810 -8.393 1.00 0.00 C ATOM 463 OG SER A 33 -5.531 -1.489 -9.558 1.00 0.00 O ATOM 0 H SER A 33 -4.645 -4.285 -7.292 1.00 0.00 H new ATOM 0 HA SER A 33 -3.571 -2.971 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.454 -2.098 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.238 -0.925 -8.054 1.00 0.00 H new ATOM 0 HG SER A 33 -6.156 -0.762 -9.353 1.00 0.00 H new ATOM 469 N THR A 34 -1.387 -2.661 -8.641 1.00 0.00 N ATOM 470 CA THR A 34 -0.079 -2.429 -8.052 1.00 0.00 C ATOM 471 C THR A 34 0.018 -1.000 -7.516 1.00 0.00 C ATOM 472 O THR A 34 -0.172 -0.039 -8.260 1.00 0.00 O ATOM 473 CB THR A 34 0.979 -2.755 -9.108 1.00 0.00 C ATOM 474 OG1 THR A 34 0.842 -4.159 -9.315 1.00 0.00 O ATOM 475 CG2 THR A 34 2.405 -2.595 -8.577 1.00 0.00 C ATOM 0 H THR A 34 -1.382 -2.795 -9.652 1.00 0.00 H new ATOM 0 HA THR A 34 0.089 -3.077 -7.192 1.00 0.00 H new ATOM 0 HB THR A 34 0.839 -2.108 -9.974 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.490 -4.455 -9.987 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.117 -2.838 -9.366 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.560 -1.566 -8.254 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.556 -3.267 -7.732 1.00 0.00 H new ATOM 483 N ILE A 35 0.315 -0.904 -6.228 1.00 0.00 N ATOM 484 CA ILE A 35 0.440 0.392 -5.584 1.00 0.00 C ATOM 485 C ILE A 35 1.914 0.664 -5.275 1.00 0.00 C ATOM 486 O ILE A 35 2.424 0.238 -4.240 1.00 0.00 O ATOM 487 CB ILE A 35 -0.469 0.470 -4.356 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.937 0.284 -4.747 1.00 0.00 C ATOM 489 CG2 ILE A 35 -0.242 1.773 -3.586 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.526 -0.966 -4.091 1.00 0.00 C ATOM 0 H ILE A 35 0.473 -1.703 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 35 0.103 1.183 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.208 -0.349 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.511 1.161 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.021 0.204 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.901 1.802 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.796 1.824 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.459 2.622 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.570 -1.074 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.965 -1.844 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.463 -0.872 -3.007 1.00 0.00 H new ATOM 502 N ARG A 36 2.557 1.371 -6.193 1.00 0.00 N ATOM 503 CA ARG A 36 3.962 1.704 -6.033 1.00 0.00 C ATOM 504 C ARG A 36 4.127 2.832 -5.012 1.00 0.00 C ATOM 505 O ARG A 36 3.622 3.936 -5.215 1.00 0.00 O ATOM 506 CB ARG A 36 4.582 2.135 -7.364 1.00 0.00 C ATOM 507 CG ARG A 36 4.756 0.937 -8.300 1.00 0.00 C ATOM 508 CD ARG A 36 4.595 1.357 -9.762 1.00 0.00 C ATOM 509 NE ARG A 36 5.920 1.424 -10.418 1.00 0.00 N ATOM 510 CZ ARG A 36 6.102 1.437 -11.746 1.00 0.00 C ATOM 511 NH1 ARG A 36 5.044 1.388 -12.567 1.00 0.00 N ATOM 512 NH2 ARG A 36 7.341 1.499 -12.252 1.00 0.00 N ATOM 0 H ARG A 36 2.130 1.722 -7.050 1.00 0.00 H new ATOM 0 HA ARG A 36 4.476 0.810 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.948 2.884 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.549 2.604 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.741 0.495 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.022 0.170 -8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.957 0.645 -10.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.103 2.328 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 36 6.747 1.463 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.101 1.341 -12.181 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.182 1.398 -13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.146 1.536 -11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.479 1.509 -13.263 1.00 0.00 H new ATOM 526 N VAL A 37 4.835 2.517 -3.938 1.00 0.00 N ATOM 527 CA VAL A 37 5.072 3.491 -2.886 1.00 0.00 C ATOM 528 C VAL A 37 6.530 3.952 -2.943 1.00 0.00 C ATOM 529 O VAL A 37 7.446 3.150 -2.767 1.00 0.00 O ATOM 530 CB VAL A 37 4.685 2.900 -1.529 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.962 3.894 -0.399 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.221 2.455 -1.522 1.00 0.00 C ATOM 0 H VAL A 37 5.252 1.601 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 37 4.446 4.371 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 37 5.303 2.019 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.678 3.449 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.024 4.140 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.382 4.802 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.972 2.039 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.579 3.312 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.068 1.697 -2.290 1.00 0.00 H new ATOM 542 N GLY A 38 6.699 5.243 -3.190 1.00 0.00 N ATOM 543 CA GLY A 38 8.030 5.820 -3.272 1.00 0.00 C ATOM 544 C GLY A 38 8.079 7.186 -2.585 1.00 0.00 C ATOM 545 O GLY A 38 7.285 7.461 -1.686 1.00 0.00 O ATOM 0 H GLY A 38 5.937 5.905 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.751 5.148 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.321 5.924 -4.317 1.00 0.00 H new ATOM 549 N ARG A 39 9.019 8.005 -3.032 1.00 0.00 N ATOM 550 CA ARG A 39 9.182 9.336 -2.471 1.00 0.00 C ATOM 551 C ARG A 39 8.636 10.389 -3.437 1.00 0.00 C ATOM 552 O ARG A 39 8.184 11.451 -3.012 1.00 0.00 O ATOM 553 CB ARG A 39 10.654 9.634 -2.181 1.00 0.00 C ATOM 554 CG ARG A 39 10.850 11.103 -1.800 1.00 0.00 C ATOM 555 CD ARG A 39 12.255 11.342 -1.244 1.00 0.00 C ATOM 556 NE ARG A 39 12.971 12.328 -2.085 1.00 0.00 N ATOM 557 CZ ARG A 39 14.195 12.799 -1.812 1.00 0.00 C ATOM 558 NH1 ARG A 39 14.847 12.379 -0.719 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.768 13.692 -2.631 1.00 0.00 N ATOM 0 H ARG A 39 9.676 7.773 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 39 8.624 9.373 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.006 8.994 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.256 9.398 -3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.689 11.734 -2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.107 11.392 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.192 11.704 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.809 10.404 -1.217 1.00 0.00 H new ATOM 0 HE ARG A 39 12.503 12.670 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.411 11.700 -0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.779 12.738 -0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.272 14.013 -3.462 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.700 14.050 -2.423 1.00 0.00 H new ATOM 573 N ILE A 40 8.695 10.059 -4.719 1.00 0.00 N ATOM 574 CA ILE A 40 8.212 10.963 -5.748 1.00 0.00 C ATOM 575 C ILE A 40 6.890 10.434 -6.306 1.00 0.00 C ATOM 576 O ILE A 40 6.753 9.238 -6.559 1.00 0.00 O ATOM 577 CB ILE A 40 9.287 11.183 -6.816 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.804 9.848 -7.355 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.418 12.063 -6.282 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.286 9.991 -8.800 1.00 0.00 C ATOM 0 H ILE A 40 9.070 9.177 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 40 8.009 11.947 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 40 8.834 11.715 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.621 9.491 -6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.013 9.100 -7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.168 12.204 -7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.016 13.032 -5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.877 11.581 -5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.649 9.028 -9.160 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.460 10.325 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.093 10.722 -8.844 1.00 0.00 H new ATOM 592 N VAL A 41 5.950 11.351 -6.483 1.00 0.00 N ATOM 593 CA VAL A 41 4.643 10.992 -7.007 1.00 0.00 C ATOM 594 C VAL A 41 4.794 10.496 -8.446 1.00 0.00 C ATOM 595 O VAL A 41 4.087 9.583 -8.870 1.00 0.00 O ATOM 596 CB VAL A 41 3.684 12.177 -6.880 1.00 0.00 C ATOM 597 CG1 VAL A 41 3.215 12.351 -5.435 1.00 0.00 C ATOM 598 CG2 VAL A 41 4.329 13.462 -7.406 1.00 0.00 C ATOM 0 H VAL A 41 6.068 12.342 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 41 4.210 10.178 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 41 2.808 11.966 -7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.534 13.200 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.699 11.448 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.077 12.529 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.627 14.289 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.230 13.678 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.590 13.334 -8.457 1.00 0.00 H new ATOM 608 N ARG A 42 5.720 11.120 -9.159 1.00 0.00 N ATOM 609 CA ARG A 42 5.973 10.753 -10.542 1.00 0.00 C ATOM 610 C ARG A 42 6.661 9.388 -10.613 1.00 0.00 C ATOM 611 O ARG A 42 7.824 9.256 -10.235 1.00 0.00 O ATOM 612 CB ARG A 42 6.852 11.796 -11.237 1.00 0.00 C ATOM 613 CG ARG A 42 5.999 12.798 -12.018 1.00 0.00 C ATOM 614 CD ARG A 42 6.852 13.578 -13.021 1.00 0.00 C ATOM 615 NE ARG A 42 6.232 14.893 -13.298 1.00 0.00 N ATOM 616 CZ ARG A 42 5.147 15.065 -14.066 1.00 0.00 C ATOM 617 NH1 ARG A 42 4.556 14.008 -14.638 1.00 0.00 N ATOM 618 NH2 ARG A 42 4.654 16.296 -14.261 1.00 0.00 N ATOM 0 H ARG A 42 6.304 11.877 -8.805 1.00 0.00 H new ATOM 0 HA ARG A 42 5.011 10.706 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.452 12.324 -10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.547 11.299 -11.914 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.203 12.271 -12.544 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.520 13.491 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.858 13.717 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.950 13.011 -13.947 1.00 0.00 H new ATOM 0 HE ARG A 42 6.657 15.720 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.932 13.071 -14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.730 14.140 -15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.104 17.101 -13.825 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.828 16.428 -14.845 1.00 0.00 H new ATOM 632 N GLY A 43 5.913 8.408 -11.098 1.00 0.00 N ATOM 633 CA GLY A 43 6.437 7.059 -11.223 1.00 0.00 C ATOM 634 C GLY A 43 5.708 6.099 -10.280 1.00 0.00 C ATOM 635 O GLY A 43 5.222 5.053 -10.708 1.00 0.00 O ATOM 0 H GLY A 43 4.948 8.521 -11.409 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.328 6.716 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.503 7.057 -10.997 1.00 0.00 H new ATOM 639 N ASN A 44 5.656 6.489 -9.015 1.00 0.00 N ATOM 640 CA ASN A 44 4.994 5.676 -8.008 1.00 0.00 C ATOM 641 C ASN A 44 3.629 6.286 -7.683 1.00 0.00 C ATOM 642 O ASN A 44 3.439 7.494 -7.811 1.00 0.00 O ATOM 643 CB ASN A 44 5.811 5.628 -6.715 1.00 0.00 C ATOM 644 CG ASN A 44 7.294 5.395 -7.012 1.00 0.00 C ATOM 645 OD1 ASN A 44 7.710 4.324 -7.423 1.00 0.00 O ATOM 646 ND2 ASN A 44 8.065 6.453 -6.781 1.00 0.00 N ATOM 0 H ASN A 44 6.061 7.357 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 44 4.888 4.667 -8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.688 6.563 -6.168 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.436 4.831 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.070 6.398 -6.948 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.652 7.320 -6.437 1.00 0.00 H new ATOM 653 N GLU A 45 2.715 5.421 -7.268 1.00 0.00 N ATOM 654 CA GLU A 45 1.373 5.860 -6.923 1.00 0.00 C ATOM 655 C GLU A 45 1.409 6.750 -5.679 1.00 0.00 C ATOM 656 O GLU A 45 1.050 7.925 -5.742 1.00 0.00 O ATOM 657 CB GLU A 45 0.442 4.663 -6.715 1.00 0.00 C ATOM 658 CG GLU A 45 0.200 3.921 -8.031 1.00 0.00 C ATOM 659 CD GLU A 45 -0.190 4.894 -9.145 1.00 0.00 C ATOM 660 OE1 GLU A 45 -1.175 5.634 -8.934 1.00 0.00 O ATOM 661 OE2 GLU A 45 0.505 4.875 -10.184 1.00 0.00 O ATOM 0 H GLU A 45 2.877 4.419 -7.163 1.00 0.00 H new ATOM 0 HA GLU A 45 0.978 6.446 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.878 3.982 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.509 5.004 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.100 3.377 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.590 3.182 -7.896 1.00 0.00 H new ATOM 668 N ILE A 46 1.844 6.156 -4.578 1.00 0.00 N ATOM 669 CA ILE A 46 1.931 6.881 -3.321 1.00 0.00 C ATOM 670 C ILE A 46 3.344 7.445 -3.160 1.00 0.00 C ATOM 671 O ILE A 46 4.325 6.764 -3.453 1.00 0.00 O ATOM 672 CB ILE A 46 1.487 5.991 -2.158 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.081 5.437 -2.397 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.591 6.738 -0.827 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.179 4.207 -1.525 1.00 0.00 C ATOM 0 H ILE A 46 2.140 5.181 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 46 1.247 7.730 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 46 2.163 5.138 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.659 6.206 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.036 5.173 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.270 6.084 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.624 7.042 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.953 7.621 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.185 3.833 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.548 3.431 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.085 4.480 -0.474 1.00 0.00 H new ATOM 687 N ALA A 47 3.402 8.684 -2.694 1.00 0.00 N ATOM 688 CA ALA A 47 4.679 9.347 -2.490 1.00 0.00 C ATOM 689 C ALA A 47 4.664 10.069 -1.141 1.00 0.00 C ATOM 690 O ALA A 47 3.655 10.662 -0.761 1.00 0.00 O ATOM 691 CB ALA A 47 4.952 10.299 -3.657 1.00 0.00 C ATOM 0 H ALA A 47 2.586 9.246 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 47 5.490 8.619 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.910 10.796 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.981 9.734 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.160 11.046 -3.710 1.00 0.00 H new ATOM 697 N ILE A 48 5.794 9.994 -0.453 1.00 0.00 N ATOM 698 CA ILE A 48 5.923 10.632 0.846 1.00 0.00 C ATOM 699 C ILE A 48 7.175 11.512 0.854 1.00 0.00 C ATOM 700 O ILE A 48 8.275 11.035 0.578 1.00 0.00 O ATOM 701 CB ILE A 48 5.899 9.586 1.962 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.574 8.820 1.966 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.196 10.226 3.319 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.803 7.329 1.711 1.00 0.00 C ATOM 0 H ILE A 48 6.629 9.501 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 48 5.072 11.286 1.036 1.00 0.00 H new ATOM 0 HB ILE A 48 6.689 8.861 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.074 8.956 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.912 9.226 1.201 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.173 9.461 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.183 10.689 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.444 10.985 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.846 6.807 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.281 7.195 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.445 6.921 2.491 1.00 0.00 H new ATOM 716 N LYS A 49 6.967 12.780 1.175 1.00 0.00 N ATOM 717 CA LYS A 49 8.065 13.730 1.223 1.00 0.00 C ATOM 718 C LYS A 49 8.889 13.486 2.489 1.00 0.00 C ATOM 719 O LYS A 49 8.925 14.330 3.383 1.00 0.00 O ATOM 720 CB LYS A 49 7.540 15.162 1.098 1.00 0.00 C ATOM 721 CG LYS A 49 7.256 15.516 -0.364 1.00 0.00 C ATOM 722 CD LYS A 49 8.556 15.770 -1.129 1.00 0.00 C ATOM 723 CE LYS A 49 8.713 14.783 -2.288 1.00 0.00 C ATOM 724 NZ LYS A 49 7.516 14.812 -3.158 1.00 0.00 N ATOM 0 H LYS A 49 6.054 13.172 1.405 1.00 0.00 H new ATOM 0 HA LYS A 49 8.733 13.584 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.629 15.272 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.271 15.858 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.704 14.704 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.623 16.402 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.563 16.790 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.405 15.678 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.599 15.035 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.863 13.776 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.804 14.681 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.867 14.047 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.035 15.728 -3.056 1.00 0.00 H new ATOM 738 N ASP A 50 9.532 12.328 2.524 1.00 0.00 N ATOM 739 CA ASP A 50 10.353 11.962 3.665 1.00 0.00 C ATOM 740 C ASP A 50 11.709 11.454 3.170 1.00 0.00 C ATOM 741 O ASP A 50 11.796 10.373 2.589 1.00 0.00 O ATOM 742 CB ASP A 50 9.699 10.845 4.480 1.00 0.00 C ATOM 743 CG ASP A 50 10.667 9.990 5.300 1.00 0.00 C ATOM 744 OD1 ASP A 50 11.212 10.535 6.284 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.839 8.810 4.924 1.00 0.00 O ATOM 0 H ASP A 50 9.501 11.631 1.780 1.00 0.00 H new ATOM 0 HA ASP A 50 10.469 12.845 4.293 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.968 11.289 5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.150 10.194 3.800 1.00 0.00 H new ATOM 750 N ALA A 51 12.733 12.257 3.417 1.00 0.00 N ATOM 751 CA ALA A 51 14.080 11.902 3.004 1.00 0.00 C ATOM 752 C ALA A 51 14.309 10.410 3.253 1.00 0.00 C ATOM 753 O ALA A 51 15.079 9.769 2.540 1.00 0.00 O ATOM 754 CB ALA A 51 15.090 12.780 3.747 1.00 0.00 C ATOM 0 H ALA A 51 12.657 13.153 3.898 1.00 0.00 H new ATOM 0 HA ALA A 51 14.214 12.082 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.101 12.514 3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.903 13.828 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 51 14.987 12.624 4.821 1.00 0.00 H new ATOM 760 N GLY A 52 13.626 9.901 4.268 1.00 0.00 N ATOM 761 CA GLY A 52 13.745 8.497 4.621 1.00 0.00 C ATOM 762 C GLY A 52 13.405 7.601 3.428 1.00 0.00 C ATOM 763 O GLY A 52 14.126 6.648 3.137 1.00 0.00 O ATOM 0 H GLY A 52 12.988 10.436 4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.760 8.288 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.078 8.270 5.453 1.00 0.00 H new ATOM 767 N ILE A 53 12.306 7.939 2.769 1.00 0.00 N ATOM 768 CA ILE A 53 11.862 7.178 1.614 1.00 0.00 C ATOM 769 C ILE A 53 12.660 7.612 0.384 1.00 0.00 C ATOM 770 O ILE A 53 13.356 8.626 0.417 1.00 0.00 O ATOM 771 CB ILE A 53 10.347 7.304 1.440 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.610 6.850 2.702 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.873 6.548 0.197 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.431 7.774 3.011 1.00 0.00 C ATOM 0 H ILE A 53 11.710 8.730 3.013 1.00 0.00 H new ATOM 0 HA ILE A 53 12.056 6.116 1.761 1.00 0.00 H new ATOM 0 HB ILE A 53 10.107 8.356 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.252 5.829 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.299 6.840 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.793 6.654 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.361 6.958 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.127 5.492 0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.925 7.429 3.912 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.795 8.790 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.731 7.763 2.175 1.00 0.00 H new ATOM 786 N SER A 54 12.534 6.824 -0.673 1.00 0.00 N ATOM 787 CA SER A 54 13.235 7.115 -1.912 1.00 0.00 C ATOM 788 C SER A 54 12.294 6.925 -3.103 1.00 0.00 C ATOM 789 O SER A 54 11.175 6.440 -2.944 1.00 0.00 O ATOM 790 CB SER A 54 14.472 6.227 -2.066 1.00 0.00 C ATOM 791 OG SER A 54 15.618 6.973 -2.467 1.00 0.00 O ATOM 0 H SER A 54 11.957 5.984 -0.697 1.00 0.00 H new ATOM 0 HA SER A 54 13.567 8.153 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.678 5.726 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.270 5.449 -2.802 1.00 0.00 H new ATOM 0 HG SER A 54 16.387 6.371 -2.553 1.00 0.00 H new ATOM 797 N THR A 55 12.782 7.317 -4.271 1.00 0.00 N ATOM 798 CA THR A 55 11.998 7.197 -5.488 1.00 0.00 C ATOM 799 C THR A 55 11.915 5.733 -5.926 1.00 0.00 C ATOM 800 O THR A 55 12.904 5.159 -6.379 1.00 0.00 O ATOM 801 CB THR A 55 12.621 8.112 -6.544 1.00 0.00 C ATOM 802 OG1 THR A 55 13.888 7.519 -6.814 1.00 0.00 O ATOM 803 CG2 THR A 55 12.968 9.495 -5.989 1.00 0.00 C ATOM 0 H THR A 55 13.711 7.718 -4.400 1.00 0.00 H new ATOM 0 HA THR A 55 10.968 7.515 -5.328 1.00 0.00 H new ATOM 0 HB THR A 55 11.933 8.219 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.799 6.543 -6.812 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.407 10.104 -6.779 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.063 9.977 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.682 9.391 -5.172 1.00 0.00 H new ATOM 811 N LYS A 56 10.725 5.170 -5.775 1.00 0.00 N ATOM 812 CA LYS A 56 10.499 3.785 -6.149 1.00 0.00 C ATOM 813 C LYS A 56 11.027 2.870 -5.042 1.00 0.00 C ATOM 814 O LYS A 56 11.431 1.738 -5.307 1.00 0.00 O ATOM 815 CB LYS A 56 11.102 3.496 -7.525 1.00 0.00 C ATOM 816 CG LYS A 56 10.749 4.602 -8.522 1.00 0.00 C ATOM 817 CD LYS A 56 11.703 4.588 -9.718 1.00 0.00 C ATOM 818 CE LYS A 56 11.255 5.586 -10.788 1.00 0.00 C ATOM 819 NZ LYS A 56 11.631 5.103 -12.136 1.00 0.00 N ATOM 0 H LYS A 56 9.907 5.649 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 56 9.432 3.586 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.185 3.410 -7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.734 2.538 -7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.724 4.470 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.796 5.572 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.712 4.834 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.743 3.586 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.176 5.727 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.713 6.558 -10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.320 5.791 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.664 4.991 -12.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.174 4.186 -12.316 1.00 0.00 H new ATOM 833 N HIS A 57 11.007 3.394 -3.825 1.00 0.00 N ATOM 834 CA HIS A 57 11.479 2.639 -2.677 1.00 0.00 C ATOM 835 C HIS A 57 11.047 1.177 -2.812 1.00 0.00 C ATOM 836 O HIS A 57 11.884 0.276 -2.810 1.00 0.00 O ATOM 837 CB HIS A 57 11.003 3.280 -1.372 1.00 0.00 C ATOM 838 CG HIS A 57 11.517 2.596 -0.128 1.00 0.00 C ATOM 839 ND1 HIS A 57 12.175 3.274 0.883 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.463 1.288 0.257 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.498 2.404 1.829 1.00 0.00 C ATOM 842 NE2 HIS A 57 12.057 1.174 1.439 1.00 0.00 N ATOM 0 H HIS A 57 10.671 4.333 -3.609 1.00 0.00 H new ATOM 0 HA HIS A 57 12.568 2.659 -2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.317 4.324 -1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.913 3.275 -1.353 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.013 0.482 -0.304 1.00 0.00 H new ATOM 0 HE1 HIS A 57 13.019 2.630 2.748 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.166 0.309 1.968 1.00 0.00 H new ATOM 850 N LEU A 58 9.741 0.988 -2.925 1.00 0.00 N ATOM 851 CA LEU A 58 9.187 -0.349 -3.061 1.00 0.00 C ATOM 852 C LEU A 58 7.880 -0.278 -3.852 1.00 0.00 C ATOM 853 O LEU A 58 7.381 0.810 -4.136 1.00 0.00 O ATOM 854 CB LEU A 58 9.040 -1.009 -1.688 1.00 0.00 C ATOM 855 CG LEU A 58 8.376 -0.159 -0.603 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.043 0.411 -1.092 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.217 -0.953 0.695 1.00 0.00 C ATOM 0 H LEU A 58 9.050 1.738 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 58 9.866 -0.987 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.463 -1.926 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.031 -1.299 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 58 9.028 0.687 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.592 1.011 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.214 1.035 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.372 -0.407 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.743 -0.326 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.597 -1.831 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.198 -1.269 1.051 1.00 0.00 H new ATOM 869 N ARG A 59 7.364 -1.451 -4.188 1.00 0.00 N ATOM 870 CA ARG A 59 6.124 -1.535 -4.941 1.00 0.00 C ATOM 871 C ARG A 59 5.196 -2.582 -4.321 1.00 0.00 C ATOM 872 O ARG A 59 5.626 -3.691 -4.010 1.00 0.00 O ATOM 873 CB ARG A 59 6.392 -1.902 -6.402 1.00 0.00 C ATOM 874 CG ARG A 59 6.669 -3.400 -6.549 1.00 0.00 C ATOM 875 CD ARG A 59 7.333 -3.705 -7.894 1.00 0.00 C ATOM 876 NE ARG A 59 8.079 -4.981 -7.812 1.00 0.00 N ATOM 877 CZ ARG A 59 9.028 -5.353 -8.681 1.00 0.00 C ATOM 878 NH1 ARG A 59 9.353 -4.550 -9.703 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.653 -6.528 -8.528 1.00 0.00 N ATOM 0 H ARG A 59 7.782 -2.351 -3.953 1.00 0.00 H new ATOM 0 HA ARG A 59 5.647 -0.556 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.533 -1.626 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.244 -1.333 -6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.314 -3.736 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.735 -3.956 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.577 -3.766 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.010 -2.895 -8.167 1.00 0.00 H new ATOM 0 HE ARG A 59 7.856 -5.617 -7.046 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.878 -3.655 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.076 -4.834 -10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.406 -7.139 -7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.376 -6.811 -9.190 1.00 0.00 H new ATOM 893 N ILE A 60 3.940 -2.192 -4.161 1.00 0.00 N ATOM 894 CA ILE A 60 2.948 -3.082 -3.584 1.00 0.00 C ATOM 895 C ILE A 60 2.086 -3.672 -4.703 1.00 0.00 C ATOM 896 O ILE A 60 1.679 -2.959 -5.618 1.00 0.00 O ATOM 897 CB ILE A 60 2.142 -2.358 -2.504 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.005 -2.076 -1.272 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.875 -3.140 -2.149 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.232 -1.258 -0.236 1.00 0.00 C ATOM 0 H ILE A 60 3.587 -1.271 -4.421 1.00 0.00 H new ATOM 0 HA ILE A 60 3.433 -3.918 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 60 1.825 -1.394 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.330 -3.017 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.904 -1.536 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.320 -2.604 -1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.252 -3.247 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.149 -4.127 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.868 -1.072 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.929 -0.307 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.347 -1.811 0.077 1.00 0.00 H new ATOM 912 N GLU A 61 1.834 -4.968 -4.592 1.00 0.00 N ATOM 913 CA GLU A 61 1.029 -5.661 -5.582 1.00 0.00 C ATOM 914 C GLU A 61 0.199 -6.761 -4.917 1.00 0.00 C ATOM 915 O GLU A 61 0.362 -7.033 -3.728 1.00 0.00 O ATOM 916 CB GLU A 61 1.905 -6.234 -6.698 1.00 0.00 C ATOM 917 CG GLU A 61 2.937 -7.213 -6.136 1.00 0.00 C ATOM 918 CD GLU A 61 2.505 -8.662 -6.373 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.328 -8.959 -6.073 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.360 -9.439 -6.849 1.00 0.00 O ATOM 0 H GLU A 61 2.174 -5.556 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 61 0.346 -4.941 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.279 -6.741 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.414 -5.423 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.904 -7.037 -6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.065 -7.038 -5.068 1.00 0.00 H new ATOM 927 N SER A 62 -0.672 -7.364 -5.712 1.00 0.00 N ATOM 928 CA SER A 62 -1.527 -8.428 -5.214 1.00 0.00 C ATOM 929 C SER A 62 -1.308 -9.702 -6.033 1.00 0.00 C ATOM 930 O SER A 62 -1.223 -9.649 -7.259 1.00 0.00 O ATOM 931 CB SER A 62 -3.000 -8.017 -5.257 1.00 0.00 C ATOM 932 OG SER A 62 -3.869 -9.146 -5.302 1.00 0.00 O ATOM 0 H SER A 62 -0.804 -7.136 -6.697 1.00 0.00 H new ATOM 0 HA SER A 62 -1.262 -8.621 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.234 -7.414 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.176 -7.389 -6.131 1.00 0.00 H new ATOM 0 HG SER A 62 -3.862 -9.599 -4.433 1.00 0.00 H new ATOM 938 N ASP A 63 -1.222 -10.817 -5.322 1.00 0.00 N ATOM 939 CA ASP A 63 -1.014 -12.102 -5.968 1.00 0.00 C ATOM 940 C ASP A 63 -2.342 -12.860 -6.025 1.00 0.00 C ATOM 941 O ASP A 63 -3.408 -12.249 -6.066 1.00 0.00 O ATOM 942 CB ASP A 63 -0.015 -12.956 -5.185 1.00 0.00 C ATOM 943 CG ASP A 63 0.866 -13.869 -6.041 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.749 -13.769 -7.282 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.635 -14.646 -5.435 1.00 0.00 O ATOM 0 H ASP A 63 -1.293 -10.857 -4.305 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.624 -11.918 -6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.629 -12.295 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.565 -13.571 -4.473 1.00 0.00 H new ATOM 950 N SER A 64 -2.233 -14.181 -6.024 1.00 0.00 N ATOM 951 CA SER A 64 -3.411 -15.029 -6.075 1.00 0.00 C ATOM 952 C SER A 64 -4.438 -14.561 -5.041 1.00 0.00 C ATOM 953 O SER A 64 -4.396 -14.982 -3.886 1.00 0.00 O ATOM 954 CB SER A 64 -3.046 -16.495 -5.835 1.00 0.00 C ATOM 955 OG SER A 64 -2.826 -17.197 -7.055 1.00 0.00 O ATOM 0 H SER A 64 -1.346 -14.684 -5.989 1.00 0.00 H new ATOM 0 HA SER A 64 -3.846 -14.950 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.148 -16.549 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.846 -16.981 -5.276 1.00 0.00 H new ATOM 0 HG SER A 64 -2.594 -18.129 -6.859 1.00 0.00 H new ATOM 961 N GLY A 65 -5.334 -13.697 -5.494 1.00 0.00 N ATOM 962 CA GLY A 65 -6.370 -13.168 -4.622 1.00 0.00 C ATOM 963 C GLY A 65 -5.805 -12.836 -3.239 1.00 0.00 C ATOM 964 O GLY A 65 -6.391 -13.204 -2.221 1.00 0.00 O ATOM 0 H GLY A 65 -5.365 -13.350 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.802 -12.272 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.175 -13.896 -4.525 1.00 0.00 H new ATOM 968 N ASN A 66 -4.675 -12.145 -3.246 1.00 0.00 N ATOM 969 CA ASN A 66 -4.025 -11.760 -2.005 1.00 0.00 C ATOM 970 C ASN A 66 -3.129 -10.546 -2.258 1.00 0.00 C ATOM 971 O ASN A 66 -2.837 -10.215 -3.406 1.00 0.00 O ATOM 972 CB ASN A 66 -3.147 -12.892 -1.469 1.00 0.00 C ATOM 973 CG ASN A 66 -3.989 -13.941 -0.739 1.00 0.00 C ATOM 974 OD1 ASN A 66 -4.986 -13.641 -0.104 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.533 -15.184 -0.865 1.00 0.00 N ATOM 0 H ASN A 66 -4.193 -11.842 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.801 -11.529 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.609 -13.361 -2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.398 -12.485 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.025 -15.956 -0.415 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.691 -15.365 -1.412 1.00 0.00 H new ATOM 982 N TRP A 67 -2.718 -9.916 -1.168 1.00 0.00 N ATOM 983 CA TRP A 67 -1.862 -8.746 -1.258 1.00 0.00 C ATOM 984 C TRP A 67 -0.465 -9.145 -0.777 1.00 0.00 C ATOM 985 O TRP A 67 -0.327 -9.935 0.155 1.00 0.00 O ATOM 986 CB TRP A 67 -2.452 -7.573 -0.472 1.00 0.00 C ATOM 987 CG TRP A 67 -3.702 -6.963 -1.109 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.984 -7.195 -0.796 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.737 -6.005 -2.188 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.840 -6.460 -1.591 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.057 -5.713 -2.464 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.689 -5.405 -2.907 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.451 -4.814 -3.462 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.099 -4.509 -3.901 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.423 -4.204 -4.191 1.00 0.00 C ATOM 0 H TRP A 67 -2.962 -10.194 -0.217 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.790 -8.399 -2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.698 -7.911 0.535 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.693 -6.798 -0.372 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.307 -7.872 -0.019 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.859 -6.464 -1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.649 -5.619 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.492 -4.602 -3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.332 -4.020 -4.484 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.658 -3.500 -4.975 1.00 0.00 H new ATOM 1006 N VAL A 68 0.536 -8.579 -1.436 1.00 0.00 N ATOM 1007 CA VAL A 68 1.918 -8.866 -1.088 1.00 0.00 C ATOM 1008 C VAL A 68 2.751 -7.592 -1.236 1.00 0.00 C ATOM 1009 O VAL A 68 2.392 -6.696 -1.999 1.00 0.00 O ATOM 1010 CB VAL A 68 2.441 -10.026 -1.937 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.346 -11.066 -2.180 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.020 -9.519 -3.260 1.00 0.00 C ATOM 0 H VAL A 68 0.418 -7.924 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 68 1.993 -9.184 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 68 3.245 -10.511 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.745 -11.879 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.001 -11.461 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.511 -10.600 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.385 -10.363 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.244 -8.998 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.844 -8.834 -3.058 1.00 0.00 H new ATOM 1022 N ILE A 69 3.849 -7.551 -0.495 1.00 0.00 N ATOM 1023 CA ILE A 69 4.737 -6.401 -0.535 1.00 0.00 C ATOM 1024 C ILE A 69 6.145 -6.863 -0.913 1.00 0.00 C ATOM 1025 O ILE A 69 6.551 -7.973 -0.571 1.00 0.00 O ATOM 1026 CB ILE A 69 4.676 -5.632 0.786 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.473 -4.328 0.698 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.136 -6.507 1.953 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.769 -3.203 1.460 1.00 0.00 C ATOM 0 H ILE A 69 4.144 -8.296 0.137 1.00 0.00 H new ATOM 0 HA ILE A 69 4.415 -5.697 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 69 3.637 -5.363 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.472 -4.480 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.596 -4.043 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.083 -5.935 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.490 -7.382 2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.164 -6.828 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.356 -2.288 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.780 -3.038 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.669 -3.481 2.509 1.00 0.00 H new ATOM 1041 N GLN A 70 6.852 -5.988 -1.614 1.00 0.00 N ATOM 1042 CA GLN A 70 8.207 -6.293 -2.042 1.00 0.00 C ATOM 1043 C GLN A 70 9.091 -5.050 -1.927 1.00 0.00 C ATOM 1044 O GLN A 70 8.760 -3.995 -2.467 1.00 0.00 O ATOM 1045 CB GLN A 70 8.219 -6.845 -3.469 1.00 0.00 C ATOM 1046 CG GLN A 70 9.605 -7.378 -3.838 1.00 0.00 C ATOM 1047 CD GLN A 70 9.498 -8.698 -4.606 1.00 0.00 C ATOM 1048 OE1 GLN A 70 9.485 -8.737 -5.825 1.00 0.00 O ATOM 1049 NE2 GLN A 70 9.422 -9.772 -3.826 1.00 0.00 N ATOM 0 H GLN A 70 6.512 -5.069 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 70 8.611 -7.064 -1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.482 -7.643 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.929 -6.061 -4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.132 -6.642 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.194 -7.526 -2.933 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.438 -9.668 -2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.347 -10.700 -4.242 1.00 0.00 H new ATOM 1058 N ASP A 71 10.200 -5.215 -1.221 1.00 0.00 N ATOM 1059 CA ASP A 71 11.135 -4.119 -1.028 1.00 0.00 C ATOM 1060 C ASP A 71 12.108 -4.072 -2.208 1.00 0.00 C ATOM 1061 O ASP A 71 12.941 -4.963 -2.367 1.00 0.00 O ATOM 1062 CB ASP A 71 11.952 -4.311 0.251 1.00 0.00 C ATOM 1063 CG ASP A 71 13.261 -3.521 0.307 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.273 -2.403 -0.252 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.220 -4.053 0.907 1.00 0.00 O ATOM 0 H ASP A 71 10.472 -6.091 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 71 10.562 -3.195 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.336 -4.026 1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.180 -5.371 0.363 1.00 0.00 H new ATOM 1070 N LEU A 72 11.971 -3.022 -3.005 1.00 0.00 N ATOM 1071 CA LEU A 72 12.828 -2.847 -4.165 1.00 0.00 C ATOM 1072 C LEU A 72 14.227 -2.433 -3.703 1.00 0.00 C ATOM 1073 O LEU A 72 14.729 -1.381 -4.098 1.00 0.00 O ATOM 1074 CB LEU A 72 12.194 -1.870 -5.157 1.00 0.00 C ATOM 1075 CG LEU A 72 10.897 -2.336 -5.821 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.176 -3.369 -4.953 1.00 0.00 C ATOM 1077 CD2 LEU A 72 9.997 -1.146 -6.163 1.00 0.00 C ATOM 0 H LEU A 72 11.280 -2.284 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 72 12.936 -3.788 -4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.996 -0.933 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.922 -1.654 -5.939 1.00 0.00 H new ATOM 0 HG LEU A 72 11.152 -2.827 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.257 -3.683 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.822 -4.234 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.934 -2.927 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.082 -1.505 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.747 -0.605 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.520 -0.479 -6.849 1.00 0.00 H new ATOM 1089 N GLY A 73 14.816 -3.281 -2.873 1.00 0.00 N ATOM 1090 CA GLY A 73 16.147 -3.016 -2.353 1.00 0.00 C ATOM 1091 C GLY A 73 16.363 -1.517 -2.138 1.00 0.00 C ATOM 1092 O GLY A 73 17.405 -0.977 -2.506 1.00 0.00 O ATOM 0 H GLY A 73 14.396 -4.152 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.285 -3.546 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.895 -3.399 -3.047 1.00 0.00 H new ATOM 1096 N SER A 74 15.361 -0.887 -1.542 1.00 0.00 N ATOM 1097 CA SER A 74 15.429 0.540 -1.273 1.00 0.00 C ATOM 1098 C SER A 74 16.649 0.851 -0.405 1.00 0.00 C ATOM 1099 O SER A 74 17.072 0.021 0.399 1.00 0.00 O ATOM 1100 CB SER A 74 14.151 1.032 -0.589 1.00 0.00 C ATOM 1101 OG SER A 74 14.199 2.429 -0.311 1.00 0.00 O ATOM 0 H SER A 74 14.498 -1.338 -1.238 1.00 0.00 H new ATOM 0 HA SER A 74 15.525 1.064 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.293 0.818 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.002 0.482 0.340 1.00 0.00 H new ATOM 0 HG SER A 74 14.149 2.932 -1.151 1.00 0.00 H new ATOM 1107 N SER A 75 17.181 2.050 -0.596 1.00 0.00 N ATOM 1108 CA SER A 75 18.345 2.481 0.160 1.00 0.00 C ATOM 1109 C SER A 75 17.968 2.688 1.628 1.00 0.00 C ATOM 1110 O SER A 75 17.846 3.823 2.087 1.00 0.00 O ATOM 1111 CB SER A 75 18.934 3.767 -0.423 1.00 0.00 C ATOM 1112 OG SER A 75 20.320 3.631 -0.724 1.00 0.00 O ATOM 0 H SER A 75 16.827 2.736 -1.263 1.00 0.00 H new ATOM 0 HA SER A 75 19.105 1.702 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 18.391 4.036 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.795 4.583 0.286 1.00 0.00 H new ATOM 0 HG SER A 75 20.658 4.472 -1.096 1.00 0.00 H new ATOM 1118 N ASN A 76 17.795 1.574 2.324 1.00 0.00 N ATOM 1119 CA ASN A 76 17.435 1.619 3.731 1.00 0.00 C ATOM 1120 C ASN A 76 16.838 0.272 4.143 1.00 0.00 C ATOM 1121 O ASN A 76 17.435 -0.460 4.931 1.00 0.00 O ATOM 1122 CB ASN A 76 16.387 2.702 3.997 1.00 0.00 C ATOM 1123 CG ASN A 76 17.002 3.888 4.742 1.00 0.00 C ATOM 1124 OD1 ASN A 76 18.016 3.777 5.411 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.334 5.028 4.588 1.00 0.00 N ATOM 0 H ASN A 76 17.897 0.635 1.940 1.00 0.00 H new ATOM 0 HA ASN A 76 18.336 1.841 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.962 3.042 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.568 2.285 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.664 5.878 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.491 5.052 4.014 1.00 0.00 H new ATOM 1132 N GLY A 77 15.668 -0.014 3.592 1.00 0.00 N ATOM 1133 CA GLY A 77 14.984 -1.260 3.893 1.00 0.00 C ATOM 1134 C GLY A 77 13.562 -0.998 4.394 1.00 0.00 C ATOM 1135 O GLY A 77 13.266 0.085 4.896 1.00 0.00 O ATOM 0 H GLY A 77 15.176 0.596 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.950 -1.885 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.543 -1.813 4.648 1.00 0.00 H new ATOM 1139 N THR A 78 12.719 -2.009 4.239 1.00 0.00 N ATOM 1140 CA THR A 78 11.335 -1.901 4.670 1.00 0.00 C ATOM 1141 C THR A 78 11.080 -2.806 5.876 1.00 0.00 C ATOM 1142 O THR A 78 11.639 -3.898 5.967 1.00 0.00 O ATOM 1143 CB THR A 78 10.441 -2.221 3.470 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.022 -1.484 2.398 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.037 -1.629 3.612 1.00 0.00 C ATOM 0 H THR A 78 12.967 -2.906 3.821 1.00 0.00 H new ATOM 0 HA THR A 78 11.103 -0.891 5.007 1.00 0.00 H new ATOM 0 HB THR A 78 10.369 -3.302 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.693 -2.038 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.444 -1.885 2.734 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.560 -2.035 4.504 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.106 -0.545 3.699 1.00 0.00 H new ATOM 1153 N LEU A 79 10.235 -2.319 6.773 1.00 0.00 N ATOM 1154 CA LEU A 79 9.898 -3.071 7.970 1.00 0.00 C ATOM 1155 C LEU A 79 8.410 -3.424 7.944 1.00 0.00 C ATOM 1156 O LEU A 79 7.593 -2.648 7.450 1.00 0.00 O ATOM 1157 CB LEU A 79 10.326 -2.303 9.222 1.00 0.00 C ATOM 1158 CG LEU A 79 11.806 -2.403 9.598 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.169 -1.379 10.675 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.170 -3.829 10.017 1.00 0.00 C ATOM 0 H LEU A 79 9.774 -1.413 6.695 1.00 0.00 H new ATOM 0 HA LEU A 79 10.448 -4.012 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.078 -1.251 9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.733 -2.661 10.064 1.00 0.00 H new ATOM 0 HG LEU A 79 12.399 -2.165 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.226 -1.472 10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.970 -0.374 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.569 -1.561 11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.227 -3.873 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.570 -4.119 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.972 -4.512 9.191 1.00 0.00 H new ATOM 1172 N LEU A 80 8.103 -4.595 8.482 1.00 0.00 N ATOM 1173 CA LEU A 80 6.727 -5.061 8.526 1.00 0.00 C ATOM 1174 C LEU A 80 6.371 -5.448 9.963 1.00 0.00 C ATOM 1175 O LEU A 80 6.783 -6.501 10.446 1.00 0.00 O ATOM 1176 CB LEU A 80 6.510 -6.187 7.514 1.00 0.00 C ATOM 1177 CG LEU A 80 5.055 -6.491 7.151 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.329 -5.225 6.689 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.971 -7.610 6.111 1.00 0.00 C ATOM 0 H LEU A 80 8.783 -5.235 8.891 1.00 0.00 H new ATOM 0 HA LEU A 80 6.045 -4.264 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.047 -5.935 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.963 -7.096 7.909 1.00 0.00 H new ATOM 0 HG LEU A 80 4.547 -6.846 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.297 -5.469 6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.342 -4.485 7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.830 -4.818 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.926 -7.806 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.500 -7.307 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.427 -8.515 6.513 1.00 0.00 H new ATOM 1191 N ASN A 81 5.609 -4.575 10.605 1.00 0.00 N ATOM 1192 CA ASN A 81 5.192 -4.812 11.977 1.00 0.00 C ATOM 1193 C ASN A 81 6.411 -4.729 12.897 1.00 0.00 C ATOM 1194 O ASN A 81 6.519 -3.812 13.710 1.00 0.00 O ATOM 1195 CB ASN A 81 4.576 -6.204 12.132 1.00 0.00 C ATOM 1196 CG ASN A 81 3.479 -6.437 11.092 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.413 -5.844 11.132 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.797 -7.333 10.162 1.00 0.00 N ATOM 0 H ASN A 81 5.269 -3.702 10.201 1.00 0.00 H new ATOM 0 HA ASN A 81 4.450 -4.058 12.240 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.351 -6.963 12.024 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.161 -6.312 13.134 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.131 -7.560 9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.707 -7.793 10.187 1.00 0.00 H new ATOM 1205 N SER A 82 7.299 -5.700 12.739 1.00 0.00 N ATOM 1206 CA SER A 82 8.507 -5.748 13.546 1.00 0.00 C ATOM 1207 C SER A 82 9.511 -6.722 12.927 1.00 0.00 C ATOM 1208 O SER A 82 10.127 -7.518 13.635 1.00 0.00 O ATOM 1209 CB SER A 82 8.191 -6.155 14.986 1.00 0.00 C ATOM 1210 OG SER A 82 8.090 -7.569 15.132 1.00 0.00 O ATOM 0 H SER A 82 7.206 -6.459 12.064 1.00 0.00 H new ATOM 0 HA SER A 82 8.945 -4.750 13.567 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.970 -5.777 15.649 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.255 -5.691 15.297 1.00 0.00 H new ATOM 0 HG SER A 82 8.955 -7.982 14.927 1.00 0.00 H new ATOM 1216 N ASN A 83 9.645 -6.629 11.612 1.00 0.00 N ATOM 1217 CA ASN A 83 10.564 -7.492 10.890 1.00 0.00 C ATOM 1218 C ASN A 83 10.962 -6.820 9.575 1.00 0.00 C ATOM 1219 O ASN A 83 10.109 -6.299 8.857 1.00 0.00 O ATOM 1220 CB ASN A 83 9.910 -8.835 10.556 1.00 0.00 C ATOM 1221 CG ASN A 83 10.444 -9.945 11.463 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.234 -10.784 11.062 1.00 0.00 O ATOM 1223 ND2 ASN A 83 9.969 -9.904 12.705 1.00 0.00 N ATOM 0 H ASN A 83 9.132 -5.969 11.028 1.00 0.00 H new ATOM 0 HA ASN A 83 11.435 -7.662 11.523 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.829 -8.756 10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.103 -9.088 9.513 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.264 -10.603 13.387 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.310 -9.174 12.975 1.00 0.00 H new ATOM 1230 N ALA A 84 12.257 -6.852 9.298 1.00 0.00 N ATOM 1231 CA ALA A 84 12.778 -6.252 8.082 1.00 0.00 C ATOM 1232 C ALA A 84 12.479 -7.172 6.896 1.00 0.00 C ATOM 1233 O ALA A 84 12.877 -8.336 6.893 1.00 0.00 O ATOM 1234 CB ALA A 84 14.275 -5.981 8.247 1.00 0.00 C ATOM 0 H ALA A 84 12.961 -7.285 9.896 1.00 0.00 H new ATOM 0 HA ALA A 84 12.293 -5.295 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.666 -5.531 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.431 -5.300 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.795 -6.919 8.441 1.00 0.00 H new ATOM 1240 N LEU A 85 11.781 -6.614 5.918 1.00 0.00 N ATOM 1241 CA LEU A 85 11.424 -7.370 4.729 1.00 0.00 C ATOM 1242 C LEU A 85 12.687 -7.662 3.917 1.00 0.00 C ATOM 1243 O LEU A 85 13.777 -7.217 4.276 1.00 0.00 O ATOM 1244 CB LEU A 85 10.339 -6.639 3.936 1.00 0.00 C ATOM 1245 CG LEU A 85 9.040 -6.346 4.690 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.161 -5.367 3.907 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.297 -7.640 5.026 1.00 0.00 C ATOM 0 H LEU A 85 11.453 -5.648 5.924 1.00 0.00 H new ATOM 0 HA LEU A 85 10.992 -8.332 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.751 -5.694 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.098 -7.233 3.055 1.00 0.00 H new ATOM 0 HG LEU A 85 9.294 -5.866 5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.244 -5.175 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.700 -4.431 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.913 -5.797 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.378 -7.403 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.054 -8.170 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.929 -8.271 5.651 1.00 0.00 H new ATOM 1259 N ASP A 86 12.500 -8.407 2.838 1.00 0.00 N ATOM 1260 CA ASP A 86 13.611 -8.764 1.973 1.00 0.00 C ATOM 1261 C ASP A 86 13.257 -8.415 0.526 1.00 0.00 C ATOM 1262 O ASP A 86 12.094 -8.491 0.132 1.00 0.00 O ATOM 1263 CB ASP A 86 13.901 -10.265 2.039 1.00 0.00 C ATOM 1264 CG ASP A 86 15.363 -10.629 2.306 1.00 0.00 C ATOM 1265 OD1 ASP A 86 15.972 -9.947 3.158 1.00 0.00 O ATOM 1266 OD2 ASP A 86 15.839 -11.583 1.652 1.00 0.00 O ATOM 0 H ASP A 86 11.595 -8.773 2.543 1.00 0.00 H new ATOM 0 HA ASP A 86 14.489 -8.212 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.284 -10.705 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.595 -10.721 1.098 1.00 0.00 H new ATOM 1271 N PRO A 87 14.308 -8.030 -0.246 1.00 0.00 N ATOM 1272 CA PRO A 87 14.120 -7.668 -1.641 1.00 0.00 C ATOM 1273 C PRO A 87 13.898 -8.912 -2.504 1.00 0.00 C ATOM 1274 O PRO A 87 13.134 -8.875 -3.467 1.00 0.00 O ATOM 1275 CB PRO A 87 15.375 -6.899 -2.021 1.00 0.00 C ATOM 1276 CG PRO A 87 16.416 -7.255 -0.972 1.00 0.00 C ATOM 1277 CD PRO A 87 15.699 -7.928 0.187 1.00 0.00 C ATOM 0 HA PRO A 87 13.231 -7.058 -1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.716 -7.176 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.186 -5.826 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.170 -7.921 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.936 -6.360 -0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.121 -8.911 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.787 -7.341 1.101 1.00 0.00 H new ATOM 1285 N GLU A 88 14.579 -9.984 -2.128 1.00 0.00 N ATOM 1286 CA GLU A 88 14.465 -11.237 -2.855 1.00 0.00 C ATOM 1287 C GLU A 88 13.361 -12.104 -2.249 1.00 0.00 C ATOM 1288 O GLU A 88 13.371 -13.325 -2.402 1.00 0.00 O ATOM 1289 CB GLU A 88 15.801 -11.983 -2.874 1.00 0.00 C ATOM 1290 CG GLU A 88 16.850 -11.210 -3.675 1.00 0.00 C ATOM 1291 CD GLU A 88 18.083 -12.076 -3.943 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.653 -12.575 -2.948 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.428 -12.219 -5.136 1.00 0.00 O ATOM 0 H GLU A 88 15.212 -10.011 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 88 14.197 -11.013 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.154 -12.130 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.663 -12.973 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.420 -10.880 -4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.143 -10.314 -3.128 1.00 0.00 H new ATOM 1300 N THR A 89 12.434 -11.440 -1.574 1.00 0.00 N ATOM 1301 CA THR A 89 11.324 -12.135 -0.944 1.00 0.00 C ATOM 1302 C THR A 89 10.112 -11.209 -0.828 1.00 0.00 C ATOM 1303 O THR A 89 10.257 -10.027 -0.523 1.00 0.00 O ATOM 1304 CB THR A 89 11.808 -12.675 0.403 1.00 0.00 C ATOM 1305 OG1 THR A 89 12.993 -13.399 0.081 1.00 0.00 O ATOM 1306 CG2 THR A 89 10.869 -13.736 0.980 1.00 0.00 C ATOM 0 H THR A 89 12.429 -10.428 -1.450 1.00 0.00 H new ATOM 0 HA THR A 89 10.991 -12.979 -1.548 1.00 0.00 H new ATOM 0 HB THR A 89 11.904 -11.852 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.948 -13.702 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.259 -14.086 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.879 -13.304 1.128 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.799 -14.575 0.288 1.00 0.00 H new ATOM 1314 N SER A 90 8.944 -11.783 -1.077 1.00 0.00 N ATOM 1315 CA SER A 90 7.707 -11.024 -1.003 1.00 0.00 C ATOM 1316 C SER A 90 6.767 -11.652 0.028 1.00 0.00 C ATOM 1317 O SER A 90 6.459 -12.840 -0.051 1.00 0.00 O ATOM 1318 CB SER A 90 7.023 -10.952 -2.370 1.00 0.00 C ATOM 1319 OG SER A 90 6.529 -9.645 -2.652 1.00 0.00 O ATOM 0 H SER A 90 8.828 -12.764 -1.330 1.00 0.00 H new ATOM 0 HA SER A 90 7.948 -10.007 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.730 -11.247 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.199 -11.665 -2.401 1.00 0.00 H new ATOM 0 HG SER A 90 6.344 -9.177 -1.811 1.00 0.00 H new ATOM 1325 N VAL A 91 6.338 -10.826 0.971 1.00 0.00 N ATOM 1326 CA VAL A 91 5.440 -11.286 2.016 1.00 0.00 C ATOM 1327 C VAL A 91 4.012 -10.848 1.685 1.00 0.00 C ATOM 1328 O VAL A 91 3.806 -9.803 1.070 1.00 0.00 O ATOM 1329 CB VAL A 91 5.920 -10.781 3.378 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.268 -11.569 4.517 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.446 -10.836 3.477 1.00 0.00 C ATOM 0 H VAL A 91 6.596 -9.841 1.033 1.00 0.00 H new ATOM 0 HA VAL A 91 5.442 -12.375 2.069 1.00 0.00 H new ATOM 0 HB VAL A 91 5.615 -9.739 3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.627 -11.190 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.185 -11.456 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.527 -12.624 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.761 -10.472 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.782 -11.865 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.884 -10.211 2.699 1.00 0.00 H new ATOM 1341 N ASN A 92 3.062 -11.669 2.109 1.00 0.00 N ATOM 1342 CA ASN A 92 1.659 -11.380 1.865 1.00 0.00 C ATOM 1343 C ASN A 92 1.141 -10.438 2.954 1.00 0.00 C ATOM 1344 O ASN A 92 1.062 -10.817 4.121 1.00 0.00 O ATOM 1345 CB ASN A 92 0.818 -12.657 1.904 1.00 0.00 C ATOM 1346 CG ASN A 92 0.814 -13.268 3.307 1.00 0.00 C ATOM 1347 OD1 ASN A 92 1.841 -13.632 3.856 1.00 0.00 O ATOM 1348 ND2 ASN A 92 -0.394 -13.359 3.854 1.00 0.00 N ATOM 0 H ASN A 92 3.237 -12.534 2.620 1.00 0.00 H new ATOM 0 HA ASN A 92 1.575 -10.924 0.878 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.204 -12.433 1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.214 -13.379 1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.502 -13.753 4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.213 -13.035 3.339 1.00 0.00 H new ATOM 1355 N LEU A 93 0.800 -9.229 2.533 1.00 0.00 N ATOM 1356 CA LEU A 93 0.291 -8.230 3.457 1.00 0.00 C ATOM 1357 C LEU A 93 -0.830 -8.844 4.298 1.00 0.00 C ATOM 1358 O LEU A 93 -1.366 -9.896 3.952 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.128 -6.966 2.704 1.00 0.00 C ATOM 1360 CG LEU A 93 1.012 -6.080 2.196 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.502 -5.066 1.170 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.739 -5.403 3.359 1.00 0.00 C ATOM 0 H LEU A 93 0.866 -8.919 1.564 1.00 0.00 H new ATOM 0 HA LEU A 93 1.074 -7.917 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.740 -7.261 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.761 -6.369 3.360 1.00 0.00 H new ATOM 0 HG LEU A 93 1.738 -6.714 1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.332 -4.449 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.066 -5.594 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.255 -4.431 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.544 -4.779 2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.036 -4.783 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.155 -6.163 4.020 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.152 -8.161 5.387 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.200 -8.626 6.280 1.00 0.00 C ATOM 1376 C GLY A 94 -3.002 -7.451 6.842 1.00 0.00 C ATOM 1377 O GLY A 94 -2.540 -6.312 6.820 1.00 0.00 O ATOM 0 H GLY A 94 -0.705 -7.289 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.866 -9.302 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.759 -9.195 7.099 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.191 -7.769 7.334 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.062 -6.754 7.901 1.00 0.00 C ATOM 1383 C ASP A 95 -4.523 -6.334 9.270 1.00 0.00 C ATOM 1384 O ASP A 95 -4.734 -7.027 10.264 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.481 -7.293 8.097 1.00 0.00 C ATOM 1386 CG ASP A 95 -6.566 -8.779 8.450 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -5.706 -9.224 9.241 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.488 -9.436 7.922 1.00 0.00 O ATOM 0 H ASP A 95 -4.571 -8.715 7.351 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.089 -5.909 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.965 -6.719 8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.049 -7.119 7.183 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.838 -5.200 9.278 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.268 -4.678 10.509 1.00 0.00 C ATOM 1395 C GLY A 96 -1.740 -4.732 10.470 1.00 0.00 C ATOM 1396 O GLY A 96 -1.087 -4.686 11.511 1.00 0.00 O ATOM 0 H GLY A 96 -3.665 -4.628 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.596 -3.649 10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.635 -5.256 11.358 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.213 -4.827 9.258 1.00 0.00 N ATOM 1401 CA ASP A 97 0.226 -4.887 9.070 1.00 0.00 C ATOM 1402 C ASP A 97 0.781 -3.465 8.954 1.00 0.00 C ATOM 1403 O ASP A 97 0.350 -2.695 8.098 1.00 0.00 O ATOM 1404 CB ASP A 97 0.584 -5.639 7.786 1.00 0.00 C ATOM 1405 CG ASP A 97 0.403 -7.157 7.855 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.540 -7.585 8.554 1.00 0.00 O ATOM 1407 OD2 ASP A 97 1.212 -7.854 7.206 1.00 0.00 O ATOM 0 H ASP A 97 -1.757 -4.864 8.396 1.00 0.00 H new ATOM 0 HA ASP A 97 0.655 -5.409 9.925 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.029 -5.251 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.622 -5.423 7.533 1.00 0.00 H new ATOM 1412 N VAL A 98 1.728 -3.161 9.829 1.00 0.00 N ATOM 1413 CA VAL A 98 2.346 -1.846 9.836 1.00 0.00 C ATOM 1414 C VAL A 98 3.624 -1.883 8.997 1.00 0.00 C ATOM 1415 O VAL A 98 4.517 -2.690 9.253 1.00 0.00 O ATOM 1416 CB VAL A 98 2.590 -1.390 11.276 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.682 -0.320 11.335 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.295 -0.887 11.919 1.00 0.00 C ATOM 0 H VAL A 98 2.083 -3.803 10.538 1.00 0.00 H new ATOM 0 HA VAL A 98 1.681 -1.110 9.384 1.00 0.00 H new ATOM 0 HB VAL A 98 2.935 -2.253 11.846 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.836 -0.013 12.370 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.611 -0.726 10.935 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.378 0.543 10.742 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.496 -0.569 12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.908 -0.044 11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.557 -1.689 11.927 1.00 0.00 H new ATOM 1428 N ILE A 99 3.672 -1.000 8.010 1.00 0.00 N ATOM 1429 CA ILE A 99 4.827 -0.922 7.131 1.00 0.00 C ATOM 1430 C ILE A 99 5.672 0.294 7.514 1.00 0.00 C ATOM 1431 O ILE A 99 5.312 1.429 7.203 1.00 0.00 O ATOM 1432 CB ILE A 99 4.386 -0.927 5.666 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.459 -2.110 5.377 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.595 -0.904 4.729 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.732 -1.924 4.044 1.00 0.00 C ATOM 0 H ILE A 99 2.930 -0.333 7.800 1.00 0.00 H new ATOM 0 HA ILE A 99 5.459 -1.802 7.253 1.00 0.00 H new ATOM 0 HB ILE A 99 3.816 -0.017 5.478 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.038 -3.033 5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.731 -2.211 6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.253 -0.908 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.182 -0.004 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.213 -1.783 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.080 -2.778 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.135 -1.013 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.463 -1.848 3.239 1.00 0.00 H new ATOM 1447 N LYS A 100 6.781 0.017 8.184 1.00 0.00 N ATOM 1448 CA LYS A 100 7.681 1.074 8.613 1.00 0.00 C ATOM 1449 C LYS A 100 8.790 1.247 7.573 1.00 0.00 C ATOM 1450 O LYS A 100 9.700 0.423 7.488 1.00 0.00 O ATOM 1451 CB LYS A 100 8.200 0.796 10.025 1.00 0.00 C ATOM 1452 CG LYS A 100 7.375 1.549 11.071 1.00 0.00 C ATOM 1453 CD LYS A 100 7.560 0.936 12.461 1.00 0.00 C ATOM 1454 CE LYS A 100 7.252 -0.562 12.445 1.00 0.00 C ATOM 1455 NZ LYS A 100 6.563 -0.963 13.692 1.00 0.00 N ATOM 0 H LYS A 100 7.077 -0.925 8.440 1.00 0.00 H new ATOM 0 HA LYS A 100 7.150 2.024 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.160 -0.274 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.246 1.095 10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.674 2.597 11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.321 1.523 10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.583 1.097 12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.906 1.438 13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.628 -0.802 11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.177 -1.128 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.512 -2.001 13.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.091 -0.602 14.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.601 -0.569 13.699 1.00 0.00 H new ATOM 1469 N LEU A 101 8.678 2.323 6.808 1.00 0.00 N ATOM 1470 CA LEU A 101 9.660 2.614 5.778 1.00 0.00 C ATOM 1471 C LEU A 101 10.213 4.024 5.991 1.00 0.00 C ATOM 1472 O LEU A 101 9.629 4.820 6.724 1.00 0.00 O ATOM 1473 CB LEU A 101 9.060 2.392 4.388 1.00 0.00 C ATOM 1474 CG LEU A 101 8.022 3.421 3.934 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.114 3.663 2.426 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.613 3.004 4.363 1.00 0.00 C ATOM 0 H LEU A 101 7.922 3.004 6.881 1.00 0.00 H new ATOM 0 HA LEU A 101 10.503 1.926 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.872 2.379 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.598 1.405 4.367 1.00 0.00 H new ATOM 0 HG LEU A 101 8.241 4.368 4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.366 4.398 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.108 4.036 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.934 2.728 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.894 3.752 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.367 2.040 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.573 2.923 5.449 1.00 0.00 H new ATOM 1488 N GLY A 102 11.334 4.291 5.336 1.00 0.00 N ATOM 1489 CA GLY A 102 11.973 5.591 5.444 1.00 0.00 C ATOM 1490 C GLY A 102 12.565 5.796 6.840 1.00 0.00 C ATOM 1491 O GLY A 102 13.258 4.922 7.358 1.00 0.00 O ATOM 0 H GLY A 102 11.816 3.628 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.760 5.677 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.246 6.376 5.234 1.00 0.00 H new ATOM 1495 N GLU A 103 12.271 6.956 7.408 1.00 0.00 N ATOM 1496 CA GLU A 103 12.766 7.287 8.734 1.00 0.00 C ATOM 1497 C GLU A 103 11.719 6.938 9.794 1.00 0.00 C ATOM 1498 O GLU A 103 11.909 6.009 10.577 1.00 0.00 O ATOM 1499 CB GLU A 103 13.161 8.763 8.819 1.00 0.00 C ATOM 1500 CG GLU A 103 14.266 9.093 7.813 1.00 0.00 C ATOM 1501 CD GLU A 103 15.230 10.137 8.381 1.00 0.00 C ATOM 1502 OE1 GLU A 103 14.812 11.312 8.461 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.364 9.736 8.722 1.00 0.00 O ATOM 0 H GLU A 103 11.696 7.679 6.975 1.00 0.00 H new ATOM 0 HA GLU A 103 13.660 6.694 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.289 9.388 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.502 8.995 9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.815 8.186 7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.823 9.466 6.890 1.00 0.00 H new ATOM 1510 N TYR A 104 10.636 7.702 9.784 1.00 0.00 N ATOM 1511 CA TYR A 104 9.559 7.485 10.735 1.00 0.00 C ATOM 1512 C TYR A 104 8.202 7.457 10.029 1.00 0.00 C ATOM 1513 O TYR A 104 7.272 8.150 10.436 1.00 0.00 O ATOM 1514 CB TYR A 104 9.597 8.677 11.694 1.00 0.00 C ATOM 1515 CG TYR A 104 10.867 8.752 12.543 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.003 7.945 13.654 1.00 0.00 C ATOM 1517 CD2 TYR A 104 11.877 9.628 12.198 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.199 8.016 14.453 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.072 9.699 12.998 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.175 8.889 14.086 1.00 0.00 C ATOM 1521 OH TYR A 104 14.304 8.956 14.841 1.00 0.00 O ATOM 0 H TYR A 104 10.482 8.472 9.133 1.00 0.00 H new ATOM 0 HA TYR A 104 9.686 6.531 11.248 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.503 9.597 11.117 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.732 8.626 12.356 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.213 7.260 13.924 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.771 10.260 11.328 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.318 7.390 15.325 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.869 10.380 12.740 1.00 0.00 H new ATOM 0 HH TYR A 104 14.914 9.622 14.459 1.00 0.00 H new ATOM 1531 N THR A 105 8.132 6.647 8.982 1.00 0.00 N ATOM 1532 CA THR A 105 6.905 6.519 8.216 1.00 0.00 C ATOM 1533 C THR A 105 6.332 5.107 8.357 1.00 0.00 C ATOM 1534 O THR A 105 6.960 4.134 7.941 1.00 0.00 O ATOM 1535 CB THR A 105 7.208 6.909 6.768 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.310 8.330 6.806 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.028 6.645 5.831 1.00 0.00 C ATOM 0 H THR A 105 8.906 6.073 8.647 1.00 0.00 H new ATOM 0 HA THR A 105 6.132 7.189 8.594 1.00 0.00 H new ATOM 0 HB THR A 105 8.080 6.356 6.418 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.507 8.668 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.296 6.939 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.781 5.584 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.165 7.224 6.161 1.00 0.00 H new ATOM 1545 N SER A 106 5.147 5.039 8.946 1.00 0.00 N ATOM 1546 CA SER A 106 4.483 3.763 9.147 1.00 0.00 C ATOM 1547 C SER A 106 3.163 3.732 8.376 1.00 0.00 C ATOM 1548 O SER A 106 2.373 4.672 8.452 1.00 0.00 O ATOM 1549 CB SER A 106 4.236 3.499 10.634 1.00 0.00 C ATOM 1550 OG SER A 106 5.430 3.614 11.403 1.00 0.00 O ATOM 0 H SER A 106 4.630 5.848 9.291 1.00 0.00 H new ATOM 0 HA SER A 106 5.135 2.975 8.769 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.494 4.204 11.009 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.818 2.500 10.760 1.00 0.00 H new ATOM 0 HG SER A 106 5.230 3.440 12.346 1.00 0.00 H new ATOM 1556 N ILE A 107 2.963 2.641 7.650 1.00 0.00 N ATOM 1557 CA ILE A 107 1.751 2.476 6.866 1.00 0.00 C ATOM 1558 C ILE A 107 0.995 1.240 7.357 1.00 0.00 C ATOM 1559 O ILE A 107 1.549 0.143 7.393 1.00 0.00 O ATOM 1560 CB ILE A 107 2.081 2.441 5.372 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.099 3.525 5.010 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.809 2.544 4.527 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.451 3.471 3.522 1.00 0.00 C ATOM 0 H ILE A 107 3.620 1.863 7.589 1.00 0.00 H new ATOM 0 HA ILE A 107 1.089 3.331 7.004 1.00 0.00 H new ATOM 0 HB ILE A 107 2.541 1.479 5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.694 4.506 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.002 3.394 5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.072 2.517 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.149 1.708 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.299 3.481 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.176 4.251 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.878 2.497 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.550 3.626 2.929 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.259 1.460 7.724 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.097 0.378 8.212 1.00 0.00 C ATOM 1577 C LEU A 108 -1.874 -0.227 7.041 1.00 0.00 C ATOM 1578 O LEU A 108 -2.404 0.499 6.202 1.00 0.00 O ATOM 1579 CB LEU A 108 -1.989 0.865 9.356 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.369 -0.183 10.403 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.839 0.481 11.698 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.408 -1.160 9.849 1.00 0.00 C ATOM 0 H LEU A 108 -0.715 2.372 7.693 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.484 -0.418 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.482 1.687 9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.906 1.271 8.928 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.478 -0.763 10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.103 -0.287 12.425 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.038 1.102 12.100 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.711 1.102 11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.661 -1.895 10.614 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.305 -0.612 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.999 -1.670 8.977 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.916 -1.552 7.022 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.619 -2.263 5.968 1.00 0.00 C ATOM 1596 C VAL A 109 -3.976 -2.735 6.495 1.00 0.00 C ATOM 1597 O VAL A 109 -4.041 -3.483 7.470 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.752 -3.407 5.441 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.548 -4.306 4.492 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.492 -2.870 4.759 1.00 0.00 C ATOM 0 H VAL A 109 -1.475 -2.151 7.720 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.810 -1.602 5.123 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.441 -4.012 6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.908 -5.111 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.401 -4.730 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.903 -3.718 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.107 -3.704 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.775 -2.232 3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.091 -2.291 5.475 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.026 -2.279 5.827 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.377 -2.646 6.216 1.00 0.00 C ATOM 1612 C ASN A 110 -7.128 -3.177 4.993 1.00 0.00 C ATOM 1613 O ASN A 110 -7.168 -2.523 3.952 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.143 -1.436 6.753 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.210 -1.462 8.281 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.240 -1.220 8.888 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.056 -1.770 8.867 1.00 0.00 N ATOM 0 H ASN A 110 -4.968 -1.659 5.019 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.310 -3.405 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.657 -0.518 6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.152 -1.428 6.341 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.997 -1.815 9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.231 -1.962 8.299 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.705 -4.358 5.160 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.453 -4.985 4.083 1.00 0.00 C ATOM 1626 C PHE A 111 -9.923 -4.564 4.120 1.00 0.00 C ATOM 1627 O PHE A 111 -10.669 -4.976 5.007 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.362 -6.497 4.296 1.00 0.00 C ATOM 1629 CG PHE A 111 -6.971 -7.079 4.037 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.222 -6.617 3.000 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.483 -8.060 4.844 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -4.932 -7.157 2.760 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.192 -8.600 4.603 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.444 -8.138 3.566 1.00 0.00 C ATOM 0 H PHE A 111 -7.670 -4.897 6.025 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.041 -4.685 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.656 -6.728 5.320 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.079 -6.990 3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.609 -5.839 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.077 -8.428 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.337 -6.789 1.937 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.804 -9.378 5.244 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.463 -8.550 3.382 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.297 -3.749 3.145 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.665 -3.268 3.054 1.00 0.00 C ATOM 1646 C VAL A 112 -12.498 -4.262 2.243 1.00 0.00 C ATOM 1647 O VAL A 112 -12.309 -4.396 1.035 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.685 -1.854 2.469 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.111 -1.302 2.419 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.763 -0.921 3.257 1.00 0.00 C ATOM 0 H VAL A 112 -9.676 -3.409 2.411 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.113 -3.202 4.046 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.311 -1.909 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.097 -0.296 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.729 -1.947 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.524 -1.269 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.796 0.077 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.093 -0.874 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.742 -1.300 3.218 1.00 0.00 H new ATOM 1660 N SER A 113 -13.402 -4.935 2.940 1.00 0.00 N ATOM 1661 CA SER A 113 -14.265 -5.913 2.300 1.00 0.00 C ATOM 1662 C SER A 113 -15.650 -5.311 2.060 1.00 0.00 C ATOM 1663 O SER A 113 -16.186 -4.613 2.919 1.00 0.00 O ATOM 1664 CB SER A 113 -14.378 -7.184 3.145 1.00 0.00 C ATOM 1665 OG SER A 113 -14.270 -8.363 2.352 1.00 0.00 O ATOM 0 H SER A 113 -13.555 -4.822 3.942 1.00 0.00 H new ATOM 0 HA SER A 113 -13.823 -6.184 1.341 1.00 0.00 H new ATOM 0 HB2 SER A 113 -13.596 -7.185 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.333 -7.187 3.670 1.00 0.00 H new ATOM 0 HG SER A 113 -14.345 -9.152 2.928 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.192 -5.603 0.886 1.00 0.00 N ATOM 1672 CA GLY A 114 -17.505 -5.099 0.521 1.00 0.00 C ATOM 1673 C GLY A 114 -18.609 -6.030 1.027 1.00 0.00 C ATOM 1674 O GLY A 114 -18.348 -7.184 1.362 1.00 0.00 O ATOM 0 H GLY A 114 -15.745 -6.182 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.645 -4.102 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -17.573 -5.003 -0.563 1.00 0.00 H new ATOM 1678 N PRO A 115 -19.852 -5.478 1.067 1.00 0.00 N ATOM 1679 CA PRO A 115 -20.997 -6.246 1.526 1.00 0.00 C ATOM 1680 C PRO A 115 -21.441 -7.255 0.465 1.00 0.00 C ATOM 1681 O PRO A 115 -22.470 -7.068 -0.182 1.00 0.00 O ATOM 1682 CB PRO A 115 -22.063 -5.210 1.843 1.00 0.00 C ATOM 1683 CG PRO A 115 -21.644 -3.944 1.115 1.00 0.00 C ATOM 1684 CD PRO A 115 -20.198 -4.114 0.677 1.00 0.00 C ATOM 0 HA PRO A 115 -20.774 -6.851 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -23.045 -5.545 1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -22.133 -5.038 2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -22.286 -3.770 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -21.746 -3.077 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -20.090 -3.970 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -19.549 -3.386 1.163 1.00 0.00 H new ATOM 1692 N SER A 116 -20.643 -8.303 0.320 1.00 0.00 N ATOM 1693 CA SER A 116 -20.941 -9.342 -0.651 1.00 0.00 C ATOM 1694 C SER A 116 -21.982 -10.308 -0.081 1.00 0.00 C ATOM 1695 O SER A 116 -21.714 -11.013 0.891 1.00 0.00 O ATOM 1696 CB SER A 116 -19.675 -10.102 -1.050 1.00 0.00 C ATOM 1697 OG SER A 116 -19.170 -10.899 0.019 1.00 0.00 O ATOM 0 H SER A 116 -19.790 -8.455 0.859 1.00 0.00 H new ATOM 0 HA SER A 116 -21.345 -8.868 -1.546 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.890 -10.740 -1.907 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.910 -9.392 -1.365 1.00 0.00 H new ATOM 0 HG SER A 116 -19.907 -11.155 0.612 1.00 0.00 H new ATOM 1703 N SER A 117 -23.148 -10.309 -0.710 1.00 0.00 N ATOM 1704 CA SER A 117 -24.231 -11.176 -0.277 1.00 0.00 C ATOM 1705 C SER A 117 -24.640 -12.110 -1.418 1.00 0.00 C ATOM 1706 O SER A 117 -24.593 -11.727 -2.586 1.00 0.00 O ATOM 1707 CB SER A 117 -25.434 -10.360 0.199 1.00 0.00 C ATOM 1708 OG SER A 117 -25.525 -10.323 1.621 1.00 0.00 O ATOM 0 H SER A 117 -23.367 -9.723 -1.516 1.00 0.00 H new ATOM 0 HA SER A 117 -23.877 -11.773 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 117 -25.358 -9.343 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 117 -26.348 -10.788 -0.212 1.00 0.00 H new ATOM 0 HG SER A 117 -26.305 -9.791 1.885 1.00 0.00 H new ATOM 1714 N GLY A 118 -25.034 -13.317 -1.040 1.00 0.00 N ATOM 1715 CA GLY A 118 -25.452 -14.309 -2.016 1.00 0.00 C ATOM 1716 C GLY A 118 -24.343 -14.574 -3.037 1.00 0.00 C ATOM 1717 O GLY A 118 -23.216 -14.897 -2.664 1.00 0.00 O ATOM 0 H GLY A 118 -25.073 -13.631 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.713 -15.237 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -26.349 -13.964 -2.530 1.00 0.00 H new TER 1721 GLY A 118