USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1009 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 98 HIS : no HD1:sc= -4.14! C(o=-4.2!,f=-6.5!) USER MOD Set 1.2: A 100 MET CE :methyl -168:sc= -0.0388 (180deg=-0.265) USER MOD Set 1.3: A 112 MET CE :methyl 136:sc=-0.00452 (180deg=-0.0412) USER MOD Set 2.1: A 89 LYS NZ :NH3+ -109:sc= 0.742 (180deg=0) USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0.67 USER MOD Set 3.1: A 23 GLN : amide:sc= 0.00802 K(o=1.2,f=-2.8!) USER MOD Set 3.2: A 42 LYS NZ :NH3+ -100:sc= 1.18 (180deg=-0.0441) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.888 (180deg=0.514) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc=-0.00285 (180deg=-0.0828) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -1.73 (180deg=-1.88) USER MOD Single : A 7 ASN : amide:sc=-0.000234 X(o=-0.00023,f=-0.24) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.00342 X(o=0.0034,f=-0.21) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.987 F(o=-1.8!,f=-0.99) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0408 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0.621 (180deg=0.353) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0.034) USER MOD Single : A 57 SER OG : rot 98:sc= 1.23 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 135:sc= -0.0892 (180deg=-0.228) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.647 F(o=-1.6,f=-0.65) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 158:sc= 0 (180deg=-0.0514) USER MOD Single : A 73 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.93) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000707) USER MOD Single : A 81 GLN : amide:sc= 0.806 K(o=0.81,f=-0.48) USER MOD Single : A 84 MET CE :methyl -115:sc= -0.128 (180deg=-2.6!) USER MOD Single : A 86 LYS NZ :NH3+ -149:sc= 0.835 (180deg=0.347) USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= -0.868 (180deg=-2.82!) USER MOD Single : A 101 THR OG1 : rot -65:sc= 0.492 USER MOD Single : A 107 MET CE :methyl 171:sc= -0.0277 (180deg=-0.182) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -133:sc= 0.685 USER MOD Single : A 117 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00377) USER MOD Single : A 118 THR OG1 : rot 120:sc= 0.615 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.221 -12.855 -3.991 1.00 0.00 N ATOM 2 CA MET A 1 -12.873 -13.809 -3.070 1.00 0.00 C ATOM 3 C MET A 1 -12.094 -13.833 -1.734 1.00 0.00 C ATOM 4 O MET A 1 -10.899 -13.507 -1.712 1.00 0.00 O ATOM 5 CB MET A 1 -12.961 -15.217 -3.743 1.00 0.00 C ATOM 6 CG MET A 1 -14.028 -16.162 -3.152 1.00 0.00 C ATOM 7 SD MET A 1 -13.614 -16.778 -1.506 1.00 0.00 S ATOM 8 CE MET A 1 -15.134 -17.596 -1.014 1.00 0.00 C ATOM 0 H1 MET A 1 -12.917 -12.510 -4.683 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.844 -12.052 -3.449 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.443 -13.331 -4.491 1.00 0.00 H new ATOM 0 HA MET A 1 -13.895 -13.498 -2.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.166 -15.082 -4.805 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.987 -15.701 -3.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.982 -15.636 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.164 -17.009 -3.824 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.013 -18.019 -0.017 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.950 -16.873 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.364 -18.393 -1.721 1.00 0.00 H new ATOM 18 N LYS A 2 -12.802 -14.198 -0.638 1.00 0.00 N ATOM 19 CA LYS A 2 -12.303 -14.208 0.764 1.00 0.00 C ATOM 20 C LYS A 2 -12.247 -12.767 1.306 1.00 0.00 C ATOM 21 O LYS A 2 -13.021 -12.408 2.206 1.00 0.00 O ATOM 22 CB LYS A 2 -10.943 -14.950 0.933 1.00 0.00 C ATOM 23 CG LYS A 2 -11.007 -16.444 0.548 1.00 0.00 C ATOM 24 CD LYS A 2 -9.631 -17.133 0.556 1.00 0.00 C ATOM 25 CE LYS A 2 -9.712 -18.622 0.167 1.00 0.00 C ATOM 26 NZ LYS A 2 -10.528 -19.404 1.131 1.00 0.00 N ATOM 0 H LYS A 2 -13.772 -14.505 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.012 -14.784 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.190 -14.456 0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.617 -14.863 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.670 -16.963 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.447 -16.538 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.966 -16.616 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.190 -17.044 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.142 -18.714 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.706 -19.040 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.447 -20.418 0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.185 -19.230 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.524 -19.113 1.059 1.00 0.00 H new ATOM 40 N GLU A 3 -11.325 -11.954 0.736 1.00 0.00 N ATOM 41 CA GLU A 3 -11.223 -10.492 0.978 1.00 0.00 C ATOM 42 C GLU A 3 -10.898 -10.149 2.454 1.00 0.00 C ATOM 43 O GLU A 3 -11.093 -9.005 2.893 1.00 0.00 O ATOM 44 CB GLU A 3 -12.531 -9.765 0.510 1.00 0.00 C ATOM 45 CG GLU A 3 -12.946 -10.030 -0.956 1.00 0.00 C ATOM 46 CD GLU A 3 -11.843 -9.680 -1.965 1.00 0.00 C ATOM 47 OE1 GLU A 3 -11.623 -8.481 -2.232 1.00 0.00 O ATOM 48 OE2 GLU A 3 -11.164 -10.596 -2.476 1.00 0.00 O ATOM 0 H GLU A 3 -10.620 -12.300 0.085 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.384 -10.130 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.349 -10.069 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.398 -8.691 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.213 -11.081 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.839 -9.448 -1.186 1.00 0.00 H new ATOM 55 N VAL A 4 -10.361 -11.138 3.191 1.00 0.00 N ATOM 56 CA VAL A 4 -10.180 -11.055 4.652 1.00 0.00 C ATOM 57 C VAL A 4 -9.013 -10.132 5.042 1.00 0.00 C ATOM 58 O VAL A 4 -9.199 -9.253 5.850 1.00 0.00 O ATOM 59 CB VAL A 4 -9.972 -12.472 5.328 1.00 0.00 C ATOM 60 CG1 VAL A 4 -10.086 -12.382 6.876 1.00 0.00 C ATOM 61 CG2 VAL A 4 -10.958 -13.522 4.761 1.00 0.00 C ATOM 0 H VAL A 4 -10.040 -12.019 2.790 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.110 -10.629 5.028 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.962 -12.801 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.938 -13.371 7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.325 -11.701 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.074 -12.011 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.787 -14.482 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.982 -13.198 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.801 -13.626 3.687 1.00 0.00 H new ATOM 71 N GLU A 5 -7.808 -10.367 4.486 1.00 0.00 N ATOM 72 CA GLU A 5 -6.537 -9.676 4.885 1.00 0.00 C ATOM 73 C GLU A 5 -6.613 -8.129 5.056 1.00 0.00 C ATOM 74 O GLU A 5 -5.974 -7.574 5.955 1.00 0.00 O ATOM 75 CB GLU A 5 -5.437 -10.043 3.858 1.00 0.00 C ATOM 76 CG GLU A 5 -3.995 -9.695 4.281 1.00 0.00 C ATOM 77 CD GLU A 5 -2.944 -10.124 3.235 1.00 0.00 C ATOM 78 OE1 GLU A 5 -2.641 -11.338 3.140 1.00 0.00 O ATOM 79 OE2 GLU A 5 -2.432 -9.258 2.495 1.00 0.00 O ATOM 0 H GLU A 5 -7.674 -11.047 3.738 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.310 -10.038 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.491 -11.113 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.655 -9.534 2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.919 -8.620 4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.773 -10.180 5.232 1.00 0.00 H new ATOM 86 N LYS A 6 -7.293 -7.462 4.103 1.00 0.00 N ATOM 87 CA LYS A 6 -7.518 -5.977 4.213 1.00 0.00 C ATOM 88 C LYS A 6 -8.080 -5.564 5.613 1.00 0.00 C ATOM 89 O LYS A 6 -7.729 -4.499 6.145 1.00 0.00 O ATOM 90 CB LYS A 6 -8.453 -5.446 3.087 1.00 0.00 C ATOM 91 CG LYS A 6 -7.798 -5.375 1.682 1.00 0.00 C ATOM 92 CD LYS A 6 -7.799 -6.713 0.909 1.00 0.00 C ATOM 93 CE LYS A 6 -9.212 -7.142 0.473 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.175 -8.293 -0.456 1.00 0.00 N ATOM 0 H LYS A 6 -7.690 -7.895 3.269 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.538 -5.516 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.333 -6.087 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.801 -4.450 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.321 -4.626 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.769 -5.033 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.163 -6.620 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.364 -7.491 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.800 -7.404 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.714 -6.303 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.105 -8.403 -0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.452 -8.128 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.943 -9.158 0.072 1.00 0.00 H new ATOM 108 N ASN A 7 -8.925 -6.447 6.180 1.00 0.00 N ATOM 109 CA ASN A 7 -9.485 -6.270 7.552 1.00 0.00 C ATOM 110 C ASN A 7 -8.363 -6.231 8.619 1.00 0.00 C ATOM 111 O ASN A 7 -8.435 -5.438 9.572 1.00 0.00 O ATOM 112 CB ASN A 7 -10.470 -7.422 7.901 1.00 0.00 C ATOM 113 CG ASN A 7 -11.644 -7.544 6.924 1.00 0.00 C ATOM 114 OD1 ASN A 7 -12.111 -6.553 6.370 1.00 0.00 O ATOM 115 ND2 ASN A 7 -12.127 -8.759 6.702 1.00 0.00 N ATOM 0 H ASN A 7 -9.241 -7.297 5.713 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.017 -5.319 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.922 -8.364 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.860 -7.263 8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.906 -8.888 6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.719 -9.565 7.176 1.00 0.00 H new ATOM 122 N GLU A 8 -7.324 -7.082 8.435 1.00 0.00 N ATOM 123 CA GLU A 8 -6.193 -7.213 9.388 1.00 0.00 C ATOM 124 C GLU A 8 -5.272 -5.984 9.363 1.00 0.00 C ATOM 125 O GLU A 8 -4.826 -5.531 10.428 1.00 0.00 O ATOM 126 CB GLU A 8 -5.353 -8.495 9.083 1.00 0.00 C ATOM 127 CG GLU A 8 -5.985 -9.834 9.518 1.00 0.00 C ATOM 128 CD GLU A 8 -7.294 -10.204 8.792 1.00 0.00 C ATOM 129 OE1 GLU A 8 -8.392 -9.815 9.250 1.00 0.00 O ATOM 130 OE2 GLU A 8 -7.223 -10.920 7.785 1.00 0.00 O ATOM 0 H GLU A 8 -7.246 -7.696 7.624 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.631 -7.292 10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.165 -8.536 8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.384 -8.396 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.259 -10.631 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.180 -9.795 10.590 1.00 0.00 H new ATOM 137 N ILE A 9 -4.944 -5.461 8.161 1.00 0.00 N ATOM 138 CA ILE A 9 -4.160 -4.210 8.024 1.00 0.00 C ATOM 139 C ILE A 9 -4.917 -3.021 8.653 1.00 0.00 C ATOM 140 O ILE A 9 -4.324 -2.164 9.332 1.00 0.00 O ATOM 141 CB ILE A 9 -3.832 -3.910 6.509 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.082 -5.124 5.850 1.00 0.00 C ATOM 143 CG2 ILE A 9 -3.022 -2.592 6.346 1.00 0.00 C ATOM 144 CD1 ILE A 9 -1.756 -5.503 6.507 1.00 0.00 C ATOM 0 H ILE A 9 -5.209 -5.884 7.272 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.219 -4.345 8.557 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.779 -3.772 5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.741 -5.992 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.896 -4.890 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.816 -2.420 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.600 -1.758 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.081 -2.673 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.318 -6.350 5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.072 -4.655 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.930 -5.774 7.548 1.00 0.00 H new ATOM 156 N LYS A 10 -6.239 -3.016 8.444 1.00 0.00 N ATOM 157 CA LYS A 10 -7.148 -2.033 9.042 1.00 0.00 C ATOM 158 C LYS A 10 -7.169 -2.199 10.586 1.00 0.00 C ATOM 159 O LYS A 10 -7.325 -1.220 11.308 1.00 0.00 O ATOM 160 CB LYS A 10 -8.557 -2.204 8.394 1.00 0.00 C ATOM 161 CG LYS A 10 -9.618 -1.119 8.742 1.00 0.00 C ATOM 162 CD LYS A 10 -10.363 -1.350 10.082 1.00 0.00 C ATOM 163 CE LYS A 10 -11.104 -2.696 10.135 1.00 0.00 C ATOM 164 NZ LYS A 10 -11.888 -2.834 11.383 1.00 0.00 N ATOM 0 H LYS A 10 -6.710 -3.699 7.851 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.808 -1.016 8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.434 -2.226 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.953 -3.176 8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.126 -0.147 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.351 -1.075 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.646 -1.304 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.078 -0.542 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.769 -2.781 9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.385 -3.512 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.375 -3.753 11.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.250 -2.777 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.591 -2.069 11.438 1.00 0.00 H new ATOM 178 N ARG A 11 -6.960 -3.444 11.060 1.00 0.00 N ATOM 179 CA ARG A 11 -6.984 -3.786 12.499 1.00 0.00 C ATOM 180 C ARG A 11 -5.730 -3.257 13.252 1.00 0.00 C ATOM 181 O ARG A 11 -5.848 -2.762 14.379 1.00 0.00 O ATOM 182 CB ARG A 11 -7.139 -5.316 12.682 1.00 0.00 C ATOM 183 CG ARG A 11 -7.128 -5.791 14.146 1.00 0.00 C ATOM 184 CD ARG A 11 -7.414 -7.293 14.287 1.00 0.00 C ATOM 185 NE ARG A 11 -8.742 -7.672 13.735 1.00 0.00 N ATOM 186 CZ ARG A 11 -8.948 -8.473 12.669 1.00 0.00 C ATOM 187 NH1 ARG A 11 -7.924 -8.991 12.007 1.00 0.00 N ATOM 188 NH2 ARG A 11 -10.185 -8.744 12.268 1.00 0.00 N ATOM 0 H ARG A 11 -6.769 -4.243 10.455 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.847 -3.288 12.942 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.074 -5.631 12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.333 -5.816 12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.157 -5.568 14.588 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.872 -5.230 14.711 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.636 -7.858 13.774 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.368 -7.571 15.340 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.567 -7.295 14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.969 -8.785 12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.090 -9.595 11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.981 -8.346 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.339 -9.350 11.462 1.00 0.00 H new ATOM 202 N LEU A 12 -4.523 -3.409 12.678 1.00 0.00 N ATOM 203 CA LEU A 12 -3.295 -2.822 13.290 1.00 0.00 C ATOM 204 C LEU A 12 -3.293 -1.273 13.194 1.00 0.00 C ATOM 205 O LEU A 12 -2.919 -0.586 14.152 1.00 0.00 O ATOM 206 CB LEU A 12 -2.008 -3.478 12.692 1.00 0.00 C ATOM 207 CG LEU A 12 -1.863 -3.483 11.122 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.010 -2.299 10.590 1.00 0.00 C ATOM 209 CD2 LEU A 12 -1.337 -4.842 10.606 1.00 0.00 C ATOM 0 H LEU A 12 -4.362 -3.920 11.810 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.297 -3.053 14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.142 -2.964 13.109 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.963 -4.511 13.038 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.866 -3.340 10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.946 -2.356 9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.477 -1.357 10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.008 -2.352 11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.249 -4.810 9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.359 -5.043 11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.031 -5.633 10.891 1.00 0.00 H new ATOM 221 N SER A 13 -3.676 -0.738 12.014 1.00 0.00 N ATOM 222 CA SER A 13 -4.011 0.706 11.847 1.00 0.00 C ATOM 223 C SER A 13 -5.069 1.183 12.894 1.00 0.00 C ATOM 224 O SER A 13 -5.001 2.292 13.368 1.00 0.00 O ATOM 225 CB SER A 13 -4.517 0.957 10.405 1.00 0.00 C ATOM 226 OG SER A 13 -4.632 2.345 10.122 1.00 0.00 O ATOM 0 H SER A 13 -3.763 -1.282 11.156 1.00 0.00 H new ATOM 0 HA SER A 13 -3.106 1.288 12.021 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.832 0.496 9.694 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.486 0.477 10.271 1.00 0.00 H new ATOM 0 HG SER A 13 -4.952 2.466 9.204 1.00 0.00 H new ATOM 232 N ASP A 14 -5.984 0.260 13.221 1.00 0.00 N ATOM 233 CA ASP A 14 -7.025 0.478 14.281 1.00 0.00 C ATOM 234 C ASP A 14 -6.325 0.647 15.659 1.00 0.00 C ATOM 235 O ASP A 14 -6.695 1.507 16.460 1.00 0.00 O ATOM 236 CB ASP A 14 -8.088 -0.655 14.335 1.00 0.00 C ATOM 237 CG ASP A 14 -9.155 -0.471 15.445 1.00 0.00 C ATOM 238 OD1 ASP A 14 -8.947 -0.949 16.587 1.00 0.00 O ATOM 239 OD2 ASP A 14 -10.207 0.153 15.183 1.00 0.00 O ATOM 0 H ASP A 14 -6.039 -0.655 12.774 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.571 1.386 14.026 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.590 -0.713 13.369 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.581 -1.607 14.488 1.00 0.00 H new ATOM 244 N ARG A 15 -5.303 -0.199 15.897 1.00 0.00 N ATOM 245 CA ARG A 15 -4.515 -0.196 17.160 1.00 0.00 C ATOM 246 C ARG A 15 -3.709 1.119 17.372 1.00 0.00 C ATOM 247 O ARG A 15 -3.732 1.698 18.470 1.00 0.00 O ATOM 248 CB ARG A 15 -3.553 -1.419 17.223 1.00 0.00 C ATOM 249 CG ARG A 15 -2.936 -1.661 18.622 1.00 0.00 C ATOM 250 CD ARG A 15 -4.015 -1.972 19.677 1.00 0.00 C ATOM 251 NE ARG A 15 -3.508 -1.844 21.056 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.084 -1.113 22.022 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.210 -0.436 21.783 1.00 0.00 N ATOM 254 NH2 ARG A 15 -3.543 -1.067 23.226 1.00 0.00 N ATOM 0 H ARG A 15 -4.996 -0.904 15.226 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.244 -0.265 17.968 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.097 -2.313 16.917 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.748 -1.273 16.502 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.230 -2.489 18.569 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.372 -0.780 18.928 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.859 -1.296 19.539 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.389 -2.984 19.523 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.655 -2.350 21.293 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.640 -0.472 20.859 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.640 0.117 22.525 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.688 -1.587 23.421 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.981 -0.511 23.961 1.00 0.00 H new ATOM 268 N LEU A 16 -2.987 1.577 16.332 1.00 0.00 N ATOM 269 CA LEU A 16 -2.150 2.806 16.442 1.00 0.00 C ATOM 270 C LEU A 16 -3.070 4.072 16.405 1.00 0.00 C ATOM 271 O LEU A 16 -2.784 5.076 17.045 1.00 0.00 O ATOM 272 CB LEU A 16 -1.070 2.817 15.303 1.00 0.00 C ATOM 273 CG LEU A 16 0.342 3.424 15.647 1.00 0.00 C ATOM 274 CD1 LEU A 16 0.284 4.940 15.929 1.00 0.00 C ATOM 275 CD2 LEU A 16 1.009 2.667 16.817 1.00 0.00 C ATOM 0 H LEU A 16 -2.960 1.129 15.416 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.617 2.816 17.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.923 1.790 14.969 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.478 3.371 14.458 1.00 0.00 H new ATOM 0 HG LEU A 16 0.960 3.292 14.759 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.284 5.306 16.160 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.098 5.459 15.050 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.376 5.128 16.776 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.982 3.110 17.030 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.377 2.736 17.702 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.139 1.619 16.545 1.00 0.00 H new ATOM 287 N ASP A 17 -4.122 3.988 15.573 1.00 0.00 N ATOM 288 CA ASP A 17 -5.279 4.951 15.589 1.00 0.00 C ATOM 289 C ASP A 17 -5.825 5.132 17.031 1.00 0.00 C ATOM 290 O ASP A 17 -6.149 6.245 17.456 1.00 0.00 O ATOM 291 CB ASP A 17 -6.427 4.521 14.644 1.00 0.00 C ATOM 292 CG ASP A 17 -7.510 5.597 14.464 1.00 0.00 C ATOM 293 OD1 ASP A 17 -7.289 6.548 13.686 1.00 0.00 O ATOM 294 OD2 ASP A 17 -8.575 5.512 15.112 1.00 0.00 O ATOM 0 H ASP A 17 -4.211 3.259 14.865 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.893 5.903 15.223 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.009 4.271 13.669 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.889 3.614 15.035 1.00 0.00 H new ATOM 299 N ALA A 18 -5.883 4.017 17.761 1.00 0.00 N ATOM 300 CA ALA A 18 -6.263 3.986 19.181 1.00 0.00 C ATOM 301 C ALA A 18 -5.175 4.645 20.060 1.00 0.00 C ATOM 302 O ALA A 18 -5.488 5.250 21.078 1.00 0.00 O ATOM 303 CB ALA A 18 -6.544 2.551 19.629 1.00 0.00 C ATOM 0 H ALA A 18 -5.665 3.096 17.381 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.179 4.564 19.304 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.824 2.547 20.682 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.359 2.138 19.035 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.649 1.944 19.489 1.00 0.00 H new ATOM 309 N ILE A 19 -3.896 4.484 19.657 1.00 0.00 N ATOM 310 CA ILE A 19 -2.742 5.105 20.366 1.00 0.00 C ATOM 311 C ILE A 19 -2.718 6.653 20.207 1.00 0.00 C ATOM 312 O ILE A 19 -2.600 7.348 21.211 1.00 0.00 O ATOM 313 CB ILE A 19 -1.350 4.448 19.989 1.00 0.00 C ATOM 314 CG1 ILE A 19 -1.300 2.974 20.525 1.00 0.00 C ATOM 315 CG2 ILE A 19 -0.142 5.278 20.511 1.00 0.00 C ATOM 316 CD1 ILE A 19 0.064 2.310 20.489 1.00 0.00 C ATOM 0 H ILE A 19 -3.630 3.929 18.843 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.897 4.893 21.424 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.267 4.438 18.902 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.660 2.968 21.554 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.994 2.370 19.941 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.788 4.785 20.227 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.171 6.277 20.076 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.195 5.354 21.597 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.014 1.296 20.881 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.424 2.275 19.461 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.763 2.882 21.099 1.00 0.00 H new ATOM 328 N ARG A 20 -2.813 7.212 18.973 1.00 0.00 N ATOM 329 CA ARG A 20 -2.970 8.684 18.749 1.00 0.00 C ATOM 330 C ARG A 20 -4.278 9.233 19.364 1.00 0.00 C ATOM 331 O ARG A 20 -4.371 10.412 19.654 1.00 0.00 O ATOM 332 CB ARG A 20 -2.935 9.031 17.228 1.00 0.00 C ATOM 333 CG ARG A 20 -3.981 8.265 16.383 1.00 0.00 C ATOM 334 CD ARG A 20 -4.082 8.722 14.914 1.00 0.00 C ATOM 335 NE ARG A 20 -4.719 10.051 14.781 1.00 0.00 N ATOM 336 CZ ARG A 20 -5.883 10.309 14.142 1.00 0.00 C ATOM 337 NH1 ARG A 20 -6.609 9.332 13.604 1.00 0.00 N ATOM 338 NH2 ARG A 20 -6.332 11.551 14.074 1.00 0.00 N ATOM 0 H ARG A 20 -2.784 6.668 18.111 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.127 9.160 19.250 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.099 10.102 17.106 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.940 8.814 16.839 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.737 7.203 16.403 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.959 8.376 16.852 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.084 8.755 14.477 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.655 7.989 14.346 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.238 10.842 15.209 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.291 8.365 13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.484 9.550 13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.801 12.309 14.502 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.209 11.751 13.593 1.00 0.00 H new ATOM 352 N HIS A 21 -5.284 8.354 19.482 1.00 0.00 N ATOM 353 CA HIS A 21 -6.545 8.662 20.205 1.00 0.00 C ATOM 354 C HIS A 21 -6.233 8.812 21.714 1.00 0.00 C ATOM 355 O HIS A 21 -6.615 9.780 22.359 1.00 0.00 O ATOM 356 CB HIS A 21 -7.619 7.578 19.980 1.00 0.00 C ATOM 357 CG HIS A 21 -9.020 8.032 20.285 1.00 0.00 C ATOM 358 ND1 HIS A 21 -9.467 8.321 21.556 1.00 0.00 N ATOM 359 CD2 HIS A 21 -10.068 8.273 19.458 1.00 0.00 C ATOM 360 CE1 HIS A 21 -10.722 8.712 21.500 1.00 0.00 C ATOM 361 NE2 HIS A 21 -11.108 8.693 20.241 1.00 0.00 N ATOM 0 H HIS A 21 -5.256 7.415 19.086 1.00 0.00 H new ATOM 0 HA HIS A 21 -6.951 9.594 19.813 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.573 7.246 18.943 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.384 6.714 20.602 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -8.911 8.244 22.408 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.079 8.155 18.384 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.332 9.000 22.343 1.00 0.00 H new ATOM 370 N GLN A 22 -5.463 7.849 22.198 1.00 0.00 N ATOM 371 CA GLN A 22 -5.025 7.744 23.603 1.00 0.00 C ATOM 372 C GLN A 22 -4.134 8.935 24.016 1.00 0.00 C ATOM 373 O GLN A 22 -4.264 9.443 25.113 1.00 0.00 O ATOM 374 CB GLN A 22 -4.303 6.380 23.785 1.00 0.00 C ATOM 375 CG GLN A 22 -3.269 6.286 24.912 1.00 0.00 C ATOM 376 CD GLN A 22 -2.543 4.949 24.894 1.00 0.00 C ATOM 377 OE1 GLN A 22 -1.509 4.843 24.065 1.00 0.00 O flip ATOM 378 NE2 GLN A 22 -2.932 4.008 25.581 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.109 7.091 21.615 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.891 7.785 24.263 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.061 5.616 23.956 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.806 6.132 22.847 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.546 7.095 24.812 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.765 6.419 25.874 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.729 4.128 26.206 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.458 3.107 25.527 1.00 0.00 H new ATOM 387 N GLN A 23 -3.261 9.387 23.110 1.00 0.00 N ATOM 388 CA GLN A 23 -2.308 10.499 23.378 1.00 0.00 C ATOM 389 C GLN A 23 -2.910 11.851 22.914 1.00 0.00 C ATOM 390 O GLN A 23 -2.358 12.906 23.156 1.00 0.00 O ATOM 391 CB GLN A 23 -0.954 10.206 22.695 1.00 0.00 C ATOM 392 CG GLN A 23 -0.396 8.811 23.038 1.00 0.00 C ATOM 393 CD GLN A 23 0.973 8.523 22.426 1.00 0.00 C ATOM 394 OE1 GLN A 23 1.071 8.111 21.277 1.00 0.00 O ATOM 395 NE2 GLN A 23 2.033 8.678 23.204 1.00 0.00 N ATOM 0 H GLN A 23 -3.185 9.002 22.169 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.131 10.575 24.451 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.073 10.288 21.615 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.231 10.964 22.995 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.326 8.715 24.122 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.102 8.054 22.696 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.920 9.023 24.157 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.963 8.452 22.850 1.00 0.00 H new ATOM 404 N ALA A 24 -3.970 11.763 22.110 1.00 0.00 N ATOM 405 CA ALA A 24 -4.972 12.864 21.991 1.00 0.00 C ATOM 406 C ALA A 24 -5.582 13.146 23.387 1.00 0.00 C ATOM 407 O ALA A 24 -5.772 14.300 23.784 1.00 0.00 O ATOM 408 CB ALA A 24 -6.081 12.567 20.966 1.00 0.00 C ATOM 0 H ALA A 24 -4.171 10.951 21.527 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.449 13.746 21.620 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.776 13.406 20.928 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.637 12.419 19.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.617 11.665 21.261 1.00 0.00 H new ATOM 414 N ASP A 25 -5.851 12.044 24.113 1.00 0.00 N ATOM 415 CA ASP A 25 -6.407 12.120 25.482 1.00 0.00 C ATOM 416 C ASP A 25 -5.300 12.362 26.556 1.00 0.00 C ATOM 417 O ASP A 25 -5.610 12.816 27.654 1.00 0.00 O ATOM 418 CB ASP A 25 -7.222 10.835 25.803 1.00 0.00 C ATOM 419 CG ASP A 25 -8.535 10.738 24.998 1.00 0.00 C ATOM 420 OD1 ASP A 25 -9.405 11.617 25.174 1.00 0.00 O ATOM 421 OD2 ASP A 25 -8.717 9.785 24.200 1.00 0.00 O ATOM 0 H ASP A 25 -5.694 11.093 23.778 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.075 12.981 25.519 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.608 9.960 25.593 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.453 10.814 26.868 1.00 0.00 H new ATOM 426 N LEU A 26 -4.022 12.053 26.223 1.00 0.00 N ATOM 427 CA LEU A 26 -2.889 12.176 27.212 1.00 0.00 C ATOM 428 C LEU A 26 -1.756 13.097 26.715 1.00 0.00 C ATOM 429 O LEU A 26 -1.597 13.301 25.532 1.00 0.00 O ATOM 430 CB LEU A 26 -2.291 10.782 27.538 1.00 0.00 C ATOM 431 CG LEU A 26 -3.297 9.714 28.058 1.00 0.00 C ATOM 432 CD1 LEU A 26 -2.598 8.378 28.334 1.00 0.00 C ATOM 433 CD2 LEU A 26 -4.084 10.205 29.288 1.00 0.00 C ATOM 0 H LEU A 26 -3.740 11.722 25.300 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.320 12.623 28.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.812 10.394 26.639 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.508 10.910 28.286 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.026 9.550 27.264 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.328 7.654 28.696 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.144 8.008 27.415 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.824 8.521 29.088 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.773 9.426 29.614 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.390 10.437 30.096 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.647 11.101 29.026 1.00 0.00 H new ATOM 445 N SER A 27 -0.954 13.623 27.654 1.00 0.00 N ATOM 446 CA SER A 27 0.226 14.463 27.317 1.00 0.00 C ATOM 447 C SER A 27 1.435 14.081 28.196 1.00 0.00 C ATOM 448 O SER A 27 1.286 13.382 29.206 1.00 0.00 O ATOM 449 CB SER A 27 -0.127 15.963 27.463 1.00 0.00 C ATOM 450 OG SER A 27 0.963 16.819 27.137 1.00 0.00 O ATOM 0 H SER A 27 -1.094 13.486 28.655 1.00 0.00 H new ATOM 0 HA SER A 27 0.503 14.280 26.279 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.973 16.197 26.817 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.444 16.159 28.487 1.00 0.00 H new ATOM 0 HG SER A 27 0.688 17.754 27.244 1.00 0.00 H new ATOM 456 N LEU A 28 2.629 14.558 27.791 1.00 0.00 N ATOM 457 CA LEU A 28 3.918 14.220 28.444 1.00 0.00 C ATOM 458 C LEU A 28 4.165 15.025 29.738 1.00 0.00 C ATOM 459 O LEU A 28 4.883 14.562 30.626 1.00 0.00 O ATOM 460 CB LEU A 28 5.121 14.324 27.421 1.00 0.00 C ATOM 461 CG LEU A 28 5.664 15.728 26.933 1.00 0.00 C ATOM 462 CD1 LEU A 28 4.557 16.709 26.515 1.00 0.00 C ATOM 463 CD2 LEU A 28 6.639 16.353 27.948 1.00 0.00 C ATOM 0 H LEU A 28 2.731 15.192 26.998 1.00 0.00 H new ATOM 0 HA LEU A 28 3.852 13.179 28.761 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.963 13.794 27.866 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.830 13.768 26.530 1.00 0.00 H new ATOM 0 HG LEU A 28 6.227 15.523 26.023 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.006 17.649 26.193 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.983 16.281 25.693 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.896 16.894 27.362 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.987 17.315 27.573 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.129 16.498 28.901 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.492 15.689 28.090 1.00 0.00 H new ATOM 475 N VAL A 29 3.594 16.240 29.832 1.00 0.00 N ATOM 476 CA VAL A 29 3.764 17.117 31.021 1.00 0.00 C ATOM 477 C VAL A 29 2.834 16.654 32.168 1.00 0.00 C ATOM 478 O VAL A 29 3.211 16.698 33.349 1.00 0.00 O ATOM 479 CB VAL A 29 3.502 18.635 30.665 1.00 0.00 C ATOM 480 CG1 VAL A 29 3.704 19.566 31.892 1.00 0.00 C ATOM 481 CG2 VAL A 29 4.394 19.088 29.486 1.00 0.00 C ATOM 0 H VAL A 29 3.008 16.644 29.101 1.00 0.00 H new ATOM 0 HA VAL A 29 4.799 17.033 31.354 1.00 0.00 H new ATOM 0 HB VAL A 29 2.458 18.716 30.363 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.513 20.599 31.600 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.012 19.279 32.684 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.728 19.474 32.254 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.195 20.136 29.261 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.443 18.968 29.756 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.174 18.480 28.609 1.00 0.00 H new ATOM 491 N GLU A 30 1.637 16.175 31.792 1.00 0.00 N ATOM 492 CA GLU A 30 0.630 15.698 32.770 1.00 0.00 C ATOM 493 C GLU A 30 0.886 14.227 33.157 1.00 0.00 C ATOM 494 O GLU A 30 0.558 13.811 34.269 1.00 0.00 O ATOM 495 CB GLU A 30 -0.801 15.864 32.196 1.00 0.00 C ATOM 496 CG GLU A 30 -1.049 15.064 30.905 1.00 0.00 C ATOM 497 CD GLU A 30 -2.405 15.324 30.236 1.00 0.00 C ATOM 498 OE1 GLU A 30 -2.706 16.495 29.922 1.00 0.00 O ATOM 499 OE2 GLU A 30 -3.149 14.358 29.973 1.00 0.00 O ATOM 0 H GLU A 30 1.338 16.105 30.819 1.00 0.00 H new ATOM 0 HA GLU A 30 0.720 16.305 33.671 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.523 15.552 32.950 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.983 16.920 31.998 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.258 15.297 30.192 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.970 14.001 31.132 1.00 0.00 H new ATOM 506 N ALA A 31 1.465 13.446 32.228 1.00 0.00 N ATOM 507 CA ALA A 31 1.729 12.018 32.439 1.00 0.00 C ATOM 508 C ALA A 31 3.050 11.631 31.755 1.00 0.00 C ATOM 509 O ALA A 31 3.040 11.108 30.640 1.00 0.00 O ATOM 510 CB ALA A 31 0.526 11.194 31.928 1.00 0.00 C ATOM 0 H ALA A 31 1.761 13.789 31.314 1.00 0.00 H new ATOM 0 HA ALA A 31 1.843 11.801 33.501 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.720 10.133 32.084 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.372 11.483 32.475 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.380 11.384 30.865 1.00 0.00 H new ATOM 516 N ALA A 32 4.187 11.982 32.413 1.00 0.00 N ATOM 517 CA ALA A 32 5.557 11.741 31.905 1.00 0.00 C ATOM 518 C ALA A 32 5.809 10.277 31.481 1.00 0.00 C ATOM 519 O ALA A 32 5.713 9.978 30.289 1.00 0.00 O ATOM 520 CB ALA A 32 6.592 12.225 32.942 1.00 0.00 C ATOM 0 H ALA A 32 4.173 12.446 33.322 1.00 0.00 H new ATOM 0 HA ALA A 32 5.670 12.323 30.990 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.598 12.045 32.563 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.457 13.292 33.121 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.453 11.680 33.876 1.00 0.00 H new ATOM 526 N ASP A 33 6.158 9.379 32.441 1.00 0.00 N ATOM 527 CA ASP A 33 6.406 7.932 32.205 1.00 0.00 C ATOM 528 C ASP A 33 5.302 7.266 31.372 1.00 0.00 C ATOM 529 O ASP A 33 5.597 6.440 30.520 1.00 0.00 O ATOM 530 CB ASP A 33 6.546 7.188 33.560 1.00 0.00 C ATOM 531 CG ASP A 33 6.813 5.667 33.412 1.00 0.00 C ATOM 532 OD1 ASP A 33 7.988 5.276 33.231 1.00 0.00 O ATOM 533 OD2 ASP A 33 5.857 4.860 33.482 1.00 0.00 O ATOM 0 H ASP A 33 6.277 9.646 33.418 1.00 0.00 H new ATOM 0 HA ASP A 33 7.333 7.862 31.635 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.360 7.637 34.128 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.635 7.333 34.140 1.00 0.00 H new ATOM 538 N LYS A 34 4.043 7.638 31.657 1.00 0.00 N ATOM 539 CA LYS A 34 2.878 7.066 30.955 1.00 0.00 C ATOM 540 C LYS A 34 3.019 7.292 29.439 1.00 0.00 C ATOM 541 O LYS A 34 3.152 6.336 28.690 1.00 0.00 O ATOM 542 CB LYS A 34 1.552 7.670 31.488 1.00 0.00 C ATOM 543 CG LYS A 34 0.268 7.168 30.783 1.00 0.00 C ATOM 544 CD LYS A 34 0.103 5.638 30.863 1.00 0.00 C ATOM 545 CE LYS A 34 -1.164 5.145 30.149 1.00 0.00 C ATOM 546 NZ LYS A 34 -1.287 3.671 30.205 1.00 0.00 N ATOM 0 H LYS A 34 3.804 8.331 32.367 1.00 0.00 H new ATOM 0 HA LYS A 34 2.847 5.994 31.147 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.473 7.449 32.552 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.600 8.755 31.390 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.600 7.647 31.235 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.291 7.472 29.737 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.976 5.158 30.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.068 5.334 31.909 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.041 5.601 30.608 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.145 5.469 29.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.154 3.376 29.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.462 3.236 29.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.331 3.364 31.198 1.00 0.00 H new ATOM 560 N TYR A 35 3.076 8.576 29.055 1.00 0.00 N ATOM 561 CA TYR A 35 3.258 9.004 27.649 1.00 0.00 C ATOM 562 C TYR A 35 4.571 8.440 27.060 1.00 0.00 C ATOM 563 O TYR A 35 4.621 8.070 25.880 1.00 0.00 O ATOM 564 CB TYR A 35 3.208 10.552 27.527 1.00 0.00 C ATOM 565 CG TYR A 35 3.339 11.081 26.084 1.00 0.00 C ATOM 566 CD1 TYR A 35 2.215 11.267 25.279 1.00 0.00 C ATOM 567 CD2 TYR A 35 4.590 11.385 25.528 1.00 0.00 C ATOM 568 CE1 TYR A 35 2.336 11.719 23.978 1.00 0.00 C ATOM 569 CE2 TYR A 35 4.709 11.829 24.231 1.00 0.00 C ATOM 570 CZ TYR A 35 3.585 12.001 23.463 1.00 0.00 C ATOM 571 OH TYR A 35 3.713 12.428 22.160 1.00 0.00 O ATOM 0 H TYR A 35 2.997 9.354 29.710 1.00 0.00 H new ATOM 0 HA TYR A 35 2.432 8.597 27.066 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.267 10.907 27.948 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.009 10.978 28.132 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.234 11.054 25.679 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.479 11.268 26.130 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.456 11.851 23.366 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.684 12.041 23.819 1.00 0.00 H new ATOM 0 HH TYR A 35 4.659 12.583 21.958 1.00 0.00 H new ATOM 581 N ALA A 36 5.604 8.369 27.917 1.00 0.00 N ATOM 582 CA ALA A 36 6.935 7.878 27.528 1.00 0.00 C ATOM 583 C ALA A 36 6.855 6.419 27.055 1.00 0.00 C ATOM 584 O ALA A 36 7.330 6.082 25.972 1.00 0.00 O ATOM 585 CB ALA A 36 7.940 8.050 28.679 1.00 0.00 C ATOM 0 H ALA A 36 5.539 8.650 28.895 1.00 0.00 H new ATOM 0 HA ALA A 36 7.295 8.477 26.691 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.917 7.680 28.368 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.018 9.106 28.939 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.599 7.487 29.547 1.00 0.00 H new ATOM 591 N GLU A 37 6.326 5.541 27.898 1.00 0.00 N ATOM 592 CA GLU A 37 5.900 4.178 27.582 1.00 0.00 C ATOM 593 C GLU A 37 4.949 4.078 26.383 1.00 0.00 C ATOM 594 O GLU A 37 5.090 3.170 25.612 1.00 0.00 O ATOM 595 CB GLU A 37 5.306 3.519 28.839 1.00 0.00 C ATOM 596 CG GLU A 37 6.304 3.450 30.015 1.00 0.00 C ATOM 597 CD GLU A 37 7.563 2.632 29.690 1.00 0.00 C ATOM 598 OE1 GLU A 37 7.467 1.400 29.656 1.00 0.00 O ATOM 599 OE2 GLU A 37 8.646 3.214 29.463 1.00 0.00 O ATOM 0 H GLU A 37 6.173 5.772 28.879 1.00 0.00 H new ATOM 0 HA GLU A 37 6.790 3.632 27.269 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.423 4.077 29.152 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.975 2.510 28.591 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.598 4.462 30.294 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.807 3.012 30.880 1.00 0.00 H new ATOM 606 N LEU A 38 3.980 4.987 26.252 1.00 0.00 N ATOM 607 CA LEU A 38 3.089 5.004 25.048 1.00 0.00 C ATOM 608 C LEU A 38 3.908 5.202 23.750 1.00 0.00 C ATOM 609 O LEU A 38 3.520 4.723 22.685 1.00 0.00 O ATOM 610 CB LEU A 38 2.011 6.095 25.156 1.00 0.00 C ATOM 611 CG LEU A 38 1.119 6.046 26.424 1.00 0.00 C ATOM 612 CD1 LEU A 38 0.055 7.147 26.391 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.510 4.644 26.652 1.00 0.00 C ATOM 0 H LEU A 38 3.780 5.714 26.939 1.00 0.00 H new ATOM 0 HA LEU A 38 2.593 4.034 25.007 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.502 7.068 25.118 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.366 6.029 24.280 1.00 0.00 H new ATOM 0 HG LEU A 38 1.759 6.241 27.285 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.556 7.089 27.292 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.541 8.121 26.344 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.578 7.015 25.514 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.107 4.657 27.551 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.104 4.370 25.794 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.311 3.915 26.772 1.00 0.00 H new ATOM 625 N GLU A 39 5.047 5.904 23.891 1.00 0.00 N ATOM 626 CA GLU A 39 6.029 6.071 22.807 1.00 0.00 C ATOM 627 C GLU A 39 6.773 4.729 22.552 1.00 0.00 C ATOM 628 O GLU A 39 6.986 4.382 21.403 1.00 0.00 O ATOM 629 CB GLU A 39 7.028 7.228 23.100 1.00 0.00 C ATOM 630 CG GLU A 39 6.393 8.633 23.184 1.00 0.00 C ATOM 631 CD GLU A 39 5.781 9.123 21.860 1.00 0.00 C ATOM 632 OE1 GLU A 39 6.538 9.547 20.962 1.00 0.00 O ATOM 633 OE2 GLU A 39 4.545 9.104 21.710 1.00 0.00 O ATOM 0 H GLU A 39 5.311 6.370 24.759 1.00 0.00 H new ATOM 0 HA GLU A 39 5.490 6.348 21.901 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.537 7.019 24.041 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.790 7.236 22.321 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.617 8.625 23.950 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.152 9.345 23.507 1.00 0.00 H new ATOM 640 N LYS A 40 7.228 4.041 23.636 1.00 0.00 N ATOM 641 CA LYS A 40 7.825 2.653 23.568 1.00 0.00 C ATOM 642 C LYS A 40 6.880 1.616 22.868 1.00 0.00 C ATOM 643 O LYS A 40 7.280 0.914 21.941 1.00 0.00 O ATOM 644 CB LYS A 40 8.144 2.109 25.002 1.00 0.00 C ATOM 645 CG LYS A 40 8.891 3.057 25.963 1.00 0.00 C ATOM 646 CD LYS A 40 10.328 3.394 25.546 1.00 0.00 C ATOM 647 CE LYS A 40 11.031 4.269 26.601 1.00 0.00 C ATOM 648 NZ LYS A 40 11.165 3.569 27.908 1.00 0.00 N ATOM 0 H LYS A 40 7.197 4.420 24.582 1.00 0.00 H new ATOM 0 HA LYS A 40 8.736 2.757 22.978 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.203 1.823 25.472 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.736 1.200 24.895 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.325 3.985 26.048 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.912 2.604 26.954 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.892 2.472 25.402 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.318 3.914 24.588 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.019 4.551 26.238 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.468 5.192 26.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.840 4.083 28.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.239 3.533 28.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.510 2.601 27.750 1.00 0.00 H new ATOM 662 N GLU A 41 5.661 1.515 23.434 1.00 0.00 N ATOM 663 CA GLU A 41 4.564 0.622 22.968 1.00 0.00 C ATOM 664 C GLU A 41 4.306 0.846 21.471 1.00 0.00 C ATOM 665 O GLU A 41 4.262 -0.099 20.681 1.00 0.00 O ATOM 666 CB GLU A 41 3.243 0.859 23.772 1.00 0.00 C ATOM 667 CG GLU A 41 3.355 0.664 25.299 1.00 0.00 C ATOM 668 CD GLU A 41 3.964 -0.685 25.700 1.00 0.00 C ATOM 669 OE1 GLU A 41 3.239 -1.703 25.708 1.00 0.00 O ATOM 670 OE2 GLU A 41 5.176 -0.739 25.996 1.00 0.00 O ATOM 0 H GLU A 41 5.398 2.065 24.252 1.00 0.00 H new ATOM 0 HA GLU A 41 4.880 -0.407 23.138 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.895 1.873 23.577 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.479 0.181 23.391 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.963 1.467 25.716 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.363 0.752 25.742 1.00 0.00 H new ATOM 677 N LYS A 42 4.139 2.132 21.140 1.00 0.00 N ATOM 678 CA LYS A 42 4.062 2.606 19.753 1.00 0.00 C ATOM 679 C LYS A 42 5.289 2.139 18.950 1.00 0.00 C ATOM 680 O LYS A 42 5.132 1.569 17.880 1.00 0.00 O ATOM 681 CB LYS A 42 3.977 4.141 19.710 1.00 0.00 C ATOM 682 CG LYS A 42 3.869 4.750 18.294 1.00 0.00 C ATOM 683 CD LYS A 42 4.099 6.268 18.298 1.00 0.00 C ATOM 684 CE LYS A 42 3.139 7.018 19.230 1.00 0.00 C ATOM 685 NZ LYS A 42 3.378 8.483 19.225 1.00 0.00 N ATOM 0 H LYS A 42 4.053 2.877 21.831 1.00 0.00 H new ATOM 0 HA LYS A 42 3.162 2.185 19.305 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.112 4.458 20.292 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.860 4.553 20.200 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.599 4.275 17.639 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.883 4.534 17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.126 6.473 18.601 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.984 6.650 17.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.111 6.819 18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.251 6.637 20.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.935 8.747 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.900 8.747 18.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.467 8.984 19.244 1.00 0.00 H new ATOM 699 N ALA A 43 6.499 2.384 19.500 1.00 0.00 N ATOM 700 CA ALA A 43 7.775 2.130 18.819 1.00 0.00 C ATOM 701 C ALA A 43 7.943 0.666 18.409 1.00 0.00 C ATOM 702 O ALA A 43 8.262 0.403 17.258 1.00 0.00 O ATOM 703 CB ALA A 43 8.960 2.588 19.691 1.00 0.00 C ATOM 0 H ALA A 43 6.611 2.767 20.439 1.00 0.00 H new ATOM 0 HA ALA A 43 7.763 2.717 17.901 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.895 2.390 19.167 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.874 3.656 19.890 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.950 2.042 20.634 1.00 0.00 H new ATOM 709 N THR A 44 7.793 -0.298 19.334 1.00 0.00 N ATOM 710 CA THR A 44 7.750 -1.745 19.119 1.00 0.00 C ATOM 711 C THR A 44 6.641 -2.162 18.160 1.00 0.00 C ATOM 712 O THR A 44 6.867 -3.038 17.341 1.00 0.00 O ATOM 713 CB THR A 44 7.582 -2.476 20.489 1.00 0.00 C ATOM 714 OG1 THR A 44 8.672 -2.110 21.354 1.00 0.00 O ATOM 715 CG2 THR A 44 7.538 -4.014 20.353 1.00 0.00 C ATOM 0 H THR A 44 7.692 -0.063 20.321 1.00 0.00 H new ATOM 0 HA THR A 44 8.694 -2.034 18.657 1.00 0.00 H new ATOM 0 HB THR A 44 6.625 -2.163 20.906 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.572 -2.564 22.217 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.420 -4.463 21.339 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.697 -4.299 19.721 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.466 -4.366 19.903 1.00 0.00 H new ATOM 723 N LEU A 45 5.439 -1.563 18.331 1.00 0.00 N ATOM 724 CA LEU A 45 4.345 -1.814 17.352 1.00 0.00 C ATOM 725 C LEU A 45 4.882 -1.601 15.931 1.00 0.00 C ATOM 726 O LEU A 45 4.779 -2.492 15.107 1.00 0.00 O ATOM 727 CB LEU A 45 3.052 -0.971 17.572 1.00 0.00 C ATOM 728 CG LEU A 45 2.035 -1.524 18.619 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.777 -0.636 18.693 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.661 -2.997 18.309 1.00 0.00 C ATOM 0 H LEU A 45 5.204 -0.932 19.097 1.00 0.00 H new ATOM 0 HA LEU A 45 4.034 -2.847 17.508 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.346 0.033 17.878 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.539 -0.875 16.615 1.00 0.00 H new ATOM 0 HG LEU A 45 2.517 -1.501 19.596 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.086 -1.045 19.430 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.062 0.375 18.984 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.292 -0.609 17.717 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.951 -3.357 19.054 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.209 -3.057 17.319 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.559 -3.614 18.336 1.00 0.00 H new ATOM 742 N GLU A 46 5.481 -0.429 15.695 1.00 0.00 N ATOM 743 CA GLU A 46 6.197 -0.120 14.451 1.00 0.00 C ATOM 744 C GLU A 46 7.276 -1.207 14.127 1.00 0.00 C ATOM 745 O GLU A 46 7.104 -1.937 13.176 1.00 0.00 O ATOM 746 CB GLU A 46 6.809 1.301 14.521 1.00 0.00 C ATOM 747 CG GLU A 46 5.788 2.413 14.847 1.00 0.00 C ATOM 748 CD GLU A 46 6.415 3.809 14.958 1.00 0.00 C ATOM 749 OE1 GLU A 46 7.090 4.084 15.967 1.00 0.00 O ATOM 750 OE2 GLU A 46 6.247 4.633 14.037 1.00 0.00 O ATOM 0 H GLU A 46 5.483 0.338 16.367 1.00 0.00 H new ATOM 0 HA GLU A 46 5.481 -0.135 13.629 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.594 1.310 15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.284 1.528 13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.021 2.429 14.073 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.289 2.172 15.786 1.00 0.00 H new ATOM 757 N ALA A 47 8.381 -1.263 14.903 1.00 0.00 N ATOM 758 CA ALA A 47 9.513 -2.243 14.821 1.00 0.00 C ATOM 759 C ALA A 47 9.078 -3.685 14.414 1.00 0.00 C ATOM 760 O ALA A 47 9.661 -4.287 13.510 1.00 0.00 O ATOM 761 CB ALA A 47 10.239 -2.277 16.180 1.00 0.00 C ATOM 0 H ALA A 47 8.526 -0.588 15.654 1.00 0.00 H new ATOM 0 HA ALA A 47 10.175 -1.899 14.026 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.065 -2.987 16.134 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.626 -1.284 16.411 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.540 -2.584 16.958 1.00 0.00 H new ATOM 767 N GLU A 48 8.076 -4.233 15.131 1.00 0.00 N ATOM 768 CA GLU A 48 7.330 -5.483 14.857 1.00 0.00 C ATOM 769 C GLU A 48 6.727 -5.472 13.446 1.00 0.00 C ATOM 770 O GLU A 48 7.137 -6.237 12.587 1.00 0.00 O ATOM 771 CB GLU A 48 6.197 -5.672 15.920 1.00 0.00 C ATOM 772 CG GLU A 48 5.246 -6.868 15.681 1.00 0.00 C ATOM 773 CD GLU A 48 5.885 -8.238 16.002 1.00 0.00 C ATOM 774 OE1 GLU A 48 6.690 -8.748 15.193 1.00 0.00 O ATOM 775 OE2 GLU A 48 5.592 -8.804 17.075 1.00 0.00 O ATOM 0 H GLU A 48 7.740 -3.781 15.981 1.00 0.00 H new ATOM 0 HA GLU A 48 8.030 -6.316 14.920 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.659 -5.789 16.900 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.602 -4.760 15.956 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.353 -6.740 16.293 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.922 -6.862 14.640 1.00 0.00 H new ATOM 782 N ILE A 49 5.765 -4.550 13.251 1.00 0.00 N ATOM 783 CA ILE A 49 5.000 -4.462 11.983 1.00 0.00 C ATOM 784 C ILE A 49 5.907 -4.026 10.816 1.00 0.00 C ATOM 785 O ILE A 49 5.484 -4.095 9.670 1.00 0.00 O ATOM 786 CB ILE A 49 3.708 -3.552 12.038 1.00 0.00 C ATOM 787 CG1 ILE A 49 4.071 -2.030 12.101 1.00 0.00 C ATOM 788 CG2 ILE A 49 2.788 -3.972 13.216 1.00 0.00 C ATOM 789 CD1 ILE A 49 2.893 -1.074 12.157 1.00 0.00 C ATOM 0 H ILE A 49 5.497 -3.857 13.949 1.00 0.00 H new ATOM 0 HA ILE A 49 4.636 -5.476 11.815 1.00 0.00 H new ATOM 0 HB ILE A 49 3.155 -3.705 11.111 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.695 -1.860 12.978 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.675 -1.783 11.228 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.906 -3.332 13.234 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.481 -5.010 13.086 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.330 -3.869 14.156 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.259 -0.048 12.198 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.276 -1.204 11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.297 -1.283 13.046 1.00 0.00 H new ATOM 801 N ALA A 50 7.163 -3.624 11.096 1.00 0.00 N ATOM 802 CA ALA A 50 8.146 -3.213 10.112 1.00 0.00 C ATOM 803 C ALA A 50 9.007 -4.410 9.715 1.00 0.00 C ATOM 804 O ALA A 50 9.341 -4.548 8.553 1.00 0.00 O ATOM 805 CB ALA A 50 9.013 -2.081 10.684 1.00 0.00 C ATOM 0 H ALA A 50 7.519 -3.580 12.051 1.00 0.00 H new ATOM 0 HA ALA A 50 7.639 -2.841 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.750 -1.776 9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.380 -1.231 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.525 -2.432 11.580 1.00 0.00 H new ATOM 811 N ARG A 51 9.459 -5.216 10.706 1.00 0.00 N ATOM 812 CA ARG A 51 10.008 -6.572 10.489 1.00 0.00 C ATOM 813 C ARG A 51 9.047 -7.423 9.630 1.00 0.00 C ATOM 814 O ARG A 51 9.449 -8.049 8.645 1.00 0.00 O ATOM 815 CB ARG A 51 10.274 -7.273 11.850 1.00 0.00 C ATOM 816 CG ARG A 51 11.052 -8.600 11.740 1.00 0.00 C ATOM 817 CD ARG A 51 12.458 -8.391 11.160 1.00 0.00 C ATOM 818 NE ARG A 51 13.253 -9.625 11.141 1.00 0.00 N ATOM 819 CZ ARG A 51 14.545 -9.694 10.802 1.00 0.00 C ATOM 820 NH1 ARG A 51 15.186 -8.628 10.339 1.00 0.00 N ATOM 821 NH2 ARG A 51 15.185 -10.842 10.905 1.00 0.00 N ATOM 0 H ARG A 51 9.452 -4.938 11.687 1.00 0.00 H new ATOM 0 HA ARG A 51 10.952 -6.474 9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.830 -6.592 12.494 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.319 -7.465 12.339 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.130 -9.058 12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.498 -9.295 11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.374 -8.003 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.980 -7.636 11.748 1.00 0.00 H new ATOM 0 HE ARG A 51 12.786 -10.493 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.693 -7.741 10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.171 -8.696 10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.695 -11.671 11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.170 -10.901 10.648 1.00 0.00 H new ATOM 835 N LEU A 52 7.778 -7.396 10.055 1.00 0.00 N ATOM 836 CA LEU A 52 6.635 -7.979 9.338 1.00 0.00 C ATOM 837 C LEU A 52 6.656 -7.479 7.887 1.00 0.00 C ATOM 838 O LEU A 52 6.748 -8.276 6.969 1.00 0.00 O ATOM 839 CB LEU A 52 5.273 -7.649 10.051 1.00 0.00 C ATOM 840 CG LEU A 52 4.711 -8.734 11.029 1.00 0.00 C ATOM 841 CD1 LEU A 52 4.187 -9.957 10.253 1.00 0.00 C ATOM 842 CD2 LEU A 52 5.765 -9.147 12.079 1.00 0.00 C ATOM 0 H LEU A 52 7.509 -6.954 10.934 1.00 0.00 H new ATOM 0 HA LEU A 52 6.722 -9.065 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.397 -6.720 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.523 -7.462 9.282 1.00 0.00 H new ATOM 0 HG LEU A 52 3.871 -8.293 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.802 -10.696 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.388 -9.646 9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.999 -10.396 9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.342 -9.902 12.742 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.640 -9.557 11.574 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.058 -8.275 12.663 1.00 0.00 H new ATOM 854 N ARG A 53 6.620 -6.151 7.708 1.00 0.00 N ATOM 855 CA ARG A 53 6.615 -5.516 6.375 1.00 0.00 C ATOM 856 C ARG A 53 7.962 -5.585 5.623 1.00 0.00 C ATOM 857 O ARG A 53 7.955 -5.339 4.435 1.00 0.00 O ATOM 858 CB ARG A 53 6.135 -4.043 6.462 1.00 0.00 C ATOM 859 CG ARG A 53 4.624 -3.875 6.741 1.00 0.00 C ATOM 860 CD ARG A 53 4.208 -2.397 6.783 1.00 0.00 C ATOM 861 NE ARG A 53 4.490 -1.725 5.495 1.00 0.00 N ATOM 862 CZ ARG A 53 5.067 -0.522 5.335 1.00 0.00 C ATOM 863 NH1 ARG A 53 5.479 0.185 6.381 1.00 0.00 N ATOM 864 NH2 ARG A 53 5.248 -0.043 4.115 1.00 0.00 N ATOM 0 H ARG A 53 6.593 -5.484 8.480 1.00 0.00 H new ATOM 0 HA ARG A 53 5.911 -6.106 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.695 -3.538 7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.377 -3.540 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.053 -4.391 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.376 -4.349 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.145 -2.322 7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.742 -1.889 7.586 1.00 0.00 H new ATOM 0 HE ARG A 53 4.220 -2.223 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.360 -0.183 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.915 1.096 6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.950 -0.586 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.685 0.869 3.985 1.00 0.00 H new ATOM 878 N GLU A 54 9.108 -5.885 6.270 1.00 0.00 N ATOM 879 CA GLU A 54 10.393 -5.996 5.528 1.00 0.00 C ATOM 880 C GLU A 54 10.472 -7.405 4.943 1.00 0.00 C ATOM 881 O GLU A 54 10.808 -7.559 3.788 1.00 0.00 O ATOM 882 CB GLU A 54 11.664 -5.628 6.367 1.00 0.00 C ATOM 883 CG GLU A 54 12.022 -6.601 7.500 1.00 0.00 C ATOM 884 CD GLU A 54 13.338 -6.283 8.218 1.00 0.00 C ATOM 885 OE1 GLU A 54 13.392 -5.292 8.974 1.00 0.00 O ATOM 886 OE2 GLU A 54 14.323 -7.028 8.036 1.00 0.00 O ATOM 0 H GLU A 54 9.177 -6.051 7.274 1.00 0.00 H new ATOM 0 HA GLU A 54 10.394 -5.249 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.516 -5.559 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.518 -4.637 6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.214 -6.600 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.080 -7.610 7.091 1.00 0.00 H new ATOM 893 N VAL A 55 10.217 -8.430 5.786 1.00 0.00 N ATOM 894 CA VAL A 55 9.865 -9.796 5.340 1.00 0.00 C ATOM 895 C VAL A 55 8.765 -9.759 4.264 1.00 0.00 C ATOM 896 O VAL A 55 8.840 -10.495 3.282 1.00 0.00 O ATOM 897 CB VAL A 55 9.446 -10.706 6.560 1.00 0.00 C ATOM 898 CG1 VAL A 55 9.009 -12.126 6.110 1.00 0.00 C ATOM 899 CG2 VAL A 55 10.605 -10.792 7.585 1.00 0.00 C ATOM 0 H VAL A 55 10.250 -8.332 6.801 1.00 0.00 H new ATOM 0 HA VAL A 55 10.753 -10.240 4.891 1.00 0.00 H new ATOM 0 HB VAL A 55 8.582 -10.241 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.730 -12.715 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.155 -12.048 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.835 -12.614 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.304 -11.422 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.484 -11.221 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 55 10.843 -9.793 7.950 1.00 0.00 H new ATOM 909 N HIS A 56 7.759 -8.874 4.441 1.00 0.00 N ATOM 910 CA HIS A 56 6.725 -8.658 3.403 1.00 0.00 C ATOM 911 C HIS A 56 7.098 -7.466 2.480 1.00 0.00 C ATOM 912 O HIS A 56 6.242 -6.673 2.092 1.00 0.00 O ATOM 913 CB HIS A 56 5.322 -8.456 4.054 1.00 0.00 C ATOM 914 CG HIS A 56 4.732 -9.705 4.667 1.00 0.00 C ATOM 915 ND1 HIS A 56 3.568 -10.284 4.217 1.00 0.00 N ATOM 916 CD2 HIS A 56 5.145 -10.471 5.704 1.00 0.00 C ATOM 917 CE1 HIS A 56 3.287 -11.339 4.950 1.00 0.00 C ATOM 918 NE2 HIS A 56 4.232 -11.477 5.859 1.00 0.00 N ATOM 0 H HIS A 56 7.641 -8.305 5.279 1.00 0.00 H new ATOM 0 HA HIS A 56 6.679 -9.551 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.400 -7.690 4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 56 4.635 -8.078 3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.033 -10.316 6.299 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.428 -11.983 4.828 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.275 -12.214 6.563 1.00 0.00 H new ATOM 927 N SER A 57 8.400 -7.348 2.164 1.00 0.00 N ATOM 928 CA SER A 57 8.931 -6.507 1.064 1.00 0.00 C ATOM 929 C SER A 57 9.894 -7.368 0.252 1.00 0.00 C ATOM 930 O SER A 57 9.820 -7.406 -0.974 1.00 0.00 O ATOM 931 CB SER A 57 9.643 -5.239 1.584 1.00 0.00 C ATOM 932 OG SER A 57 8.716 -4.339 2.146 1.00 0.00 O ATOM 0 H SER A 57 9.132 -7.843 2.674 1.00 0.00 H new ATOM 0 HA SER A 57 8.103 -6.157 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.387 -5.515 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.177 -4.755 0.766 1.00 0.00 H new ATOM 0 HG SER A 57 8.707 -4.445 3.120 1.00 0.00 H new ATOM 938 N GLN A 58 10.808 -8.051 0.978 1.00 0.00 N ATOM 939 CA GLN A 58 11.590 -9.200 0.476 1.00 0.00 C ATOM 940 C GLN A 58 10.638 -10.207 -0.192 1.00 0.00 C ATOM 941 O GLN A 58 10.959 -10.824 -1.207 1.00 0.00 O ATOM 942 CB GLN A 58 12.311 -9.906 1.661 1.00 0.00 C ATOM 943 CG GLN A 58 13.213 -8.993 2.524 1.00 0.00 C ATOM 944 CD GLN A 58 13.561 -9.599 3.891 1.00 0.00 C ATOM 945 OE1 GLN A 58 13.680 -10.816 4.034 1.00 0.00 O ATOM 946 NE2 GLN A 58 13.684 -8.763 4.914 1.00 0.00 N ATOM 0 H GLN A 58 11.025 -7.814 1.946 1.00 0.00 H new ATOM 0 HA GLN A 58 12.328 -8.844 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.557 -10.359 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.919 -10.718 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.135 -8.787 1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.712 -8.037 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.581 -7.759 4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.882 -9.124 5.847 1.00 0.00 H new ATOM 955 N LYS A 59 9.475 -10.380 0.461 1.00 0.00 N ATOM 956 CA LYS A 59 8.333 -11.148 -0.039 1.00 0.00 C ATOM 957 C LYS A 59 7.056 -10.276 0.097 1.00 0.00 C ATOM 958 O LYS A 59 6.254 -10.496 1.006 1.00 0.00 O ATOM 959 CB LYS A 59 8.185 -12.511 0.732 1.00 0.00 C ATOM 960 CG LYS A 59 9.254 -13.591 0.395 1.00 0.00 C ATOM 961 CD LYS A 59 10.602 -13.399 1.144 1.00 0.00 C ATOM 962 CE LYS A 59 11.775 -14.153 0.488 1.00 0.00 C ATOM 963 NZ LYS A 59 11.525 -15.611 0.379 1.00 0.00 N ATOM 0 H LYS A 59 9.304 -9.974 1.381 1.00 0.00 H new ATOM 0 HA LYS A 59 8.489 -11.399 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.223 -12.309 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.198 -12.923 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.852 -14.574 0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.442 -13.580 -0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.839 -12.336 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.490 -13.740 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.955 -13.744 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.681 -13.986 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.343 -16.071 -0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.380 -16.010 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.676 -15.775 -0.199 1.00 0.00 H new ATOM 977 N LEU A 60 6.896 -9.280 -0.822 1.00 0.00 N ATOM 978 CA LEU A 60 5.794 -8.245 -0.786 1.00 0.00 C ATOM 979 C LEU A 60 4.356 -8.867 -0.837 1.00 0.00 C ATOM 980 O LEU A 60 4.170 -10.076 -0.673 1.00 0.00 O ATOM 981 CB LEU A 60 5.999 -7.180 -1.950 1.00 0.00 C ATOM 982 CG LEU A 60 6.237 -5.670 -1.552 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.370 -4.768 -2.814 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.131 -5.140 -0.606 1.00 0.00 C ATOM 0 H LEU A 60 7.525 -9.163 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 60 5.867 -7.741 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.850 -7.503 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.121 -7.219 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 60 7.179 -5.628 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.533 -3.735 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.214 -5.106 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.456 -4.831 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.333 -4.098 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.163 -5.213 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.117 -5.735 0.307 1.00 0.00 H new ATOM 996 N SER A 61 3.341 -7.998 -1.045 1.00 0.00 N ATOM 997 CA SER A 61 1.929 -8.400 -1.214 1.00 0.00 C ATOM 998 C SER A 61 1.764 -9.343 -2.428 1.00 0.00 C ATOM 999 O SER A 61 2.633 -9.356 -3.300 1.00 0.00 O ATOM 1000 CB SER A 61 1.048 -7.136 -1.365 1.00 0.00 C ATOM 1001 OG SER A 61 -0.330 -7.466 -1.388 1.00 0.00 O ATOM 0 H SER A 61 3.482 -6.989 -1.100 1.00 0.00 H new ATOM 0 HA SER A 61 1.607 -8.951 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.246 -6.452 -0.540 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.314 -6.613 -2.284 1.00 0.00 H new ATOM 0 HG SER A 61 -0.861 -6.648 -1.482 1.00 0.00 H new ATOM 1007 N LYS A 62 0.634 -10.089 -2.467 1.00 0.00 N ATOM 1008 CA LYS A 62 0.401 -11.217 -3.412 1.00 0.00 C ATOM 1009 C LYS A 62 0.825 -10.900 -4.863 1.00 0.00 C ATOM 1010 O LYS A 62 1.828 -11.450 -5.340 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.092 -11.656 -3.384 1.00 0.00 C ATOM 1012 CG LYS A 62 -1.575 -12.146 -2.011 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.063 -12.561 -2.003 1.00 0.00 C ATOM 1014 CE LYS A 62 -3.533 -13.024 -0.616 1.00 0.00 C ATOM 1015 NZ LYS A 62 -3.324 -11.977 0.424 1.00 0.00 N ATOM 0 H LYS A 62 -0.152 -9.926 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 62 1.035 -12.034 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.713 -10.816 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.240 -12.451 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.966 -12.995 -1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.420 -11.357 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.674 -11.719 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.217 -13.365 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.590 -13.285 -0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.993 -13.928 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.175 -11.901 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.510 -12.235 1.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.140 -11.063 -0.036 1.00 0.00 H new ATOM 1029 N GLU A 63 0.018 -10.086 -5.578 1.00 0.00 N ATOM 1030 CA GLU A 63 0.261 -9.528 -6.924 1.00 0.00 C ATOM 1031 C GLU A 63 1.730 -9.238 -7.207 1.00 0.00 C ATOM 1032 O GLU A 63 2.257 -9.716 -8.192 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.529 -8.192 -7.106 1.00 0.00 C ATOM 1034 CG GLU A 63 -2.023 -8.345 -7.387 1.00 0.00 C ATOM 1035 CD GLU A 63 -2.828 -8.981 -6.230 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.168 -8.271 -5.266 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -3.119 -10.195 -6.278 1.00 0.00 O ATOM 0 H GLU A 63 -0.881 -9.782 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.076 -10.294 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.406 -7.592 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.078 -7.632 -7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.441 -7.363 -7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.152 -8.955 -8.281 1.00 0.00 H new ATOM 1044 N ALA A 64 2.369 -8.449 -6.335 1.00 0.00 N ATOM 1045 CA ALA A 64 3.764 -8.034 -6.533 1.00 0.00 C ATOM 1046 C ALA A 64 4.697 -9.272 -6.489 1.00 0.00 C ATOM 1047 O ALA A 64 5.561 -9.452 -7.345 1.00 0.00 O ATOM 1048 CB ALA A 64 4.169 -6.998 -5.468 1.00 0.00 C ATOM 0 H ALA A 64 1.942 -8.084 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 64 3.862 -7.566 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.205 -6.699 -5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.523 -6.124 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.066 -7.437 -4.476 1.00 0.00 H new ATOM 1054 N GLN A 65 4.513 -10.043 -5.398 1.00 0.00 N ATOM 1055 CA GLN A 65 5.229 -11.345 -5.208 1.00 0.00 C ATOM 1056 C GLN A 65 5.120 -12.245 -6.468 1.00 0.00 C ATOM 1057 O GLN A 65 6.075 -12.958 -6.804 1.00 0.00 O ATOM 1058 CB GLN A 65 4.710 -12.122 -3.948 1.00 0.00 C ATOM 1059 CG GLN A 65 5.625 -12.033 -2.719 1.00 0.00 C ATOM 1060 CD GLN A 65 7.009 -12.667 -2.939 1.00 0.00 C ATOM 1061 OE1 GLN A 65 7.981 -11.880 -3.391 1.00 0.00 O flip ATOM 1062 NE2 GLN A 65 7.207 -13.852 -2.683 1.00 0.00 N flip ATOM 0 H GLN A 65 3.882 -9.799 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 65 6.279 -11.099 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.726 -11.737 -3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.581 -13.171 -4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.753 -10.986 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.138 -12.525 -1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.444 -14.434 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.135 -14.254 -2.816 1.00 0.00 H new ATOM 1071 N LYS A 66 4.003 -12.144 -7.223 1.00 0.00 N ATOM 1072 CA LYS A 66 3.709 -12.887 -8.451 1.00 0.00 C ATOM 1073 C LYS A 66 4.466 -12.235 -9.620 1.00 0.00 C ATOM 1074 O LYS A 66 5.128 -12.907 -10.359 1.00 0.00 O ATOM 1075 CB LYS A 66 2.170 -12.837 -8.716 1.00 0.00 C ATOM 1076 CG LYS A 66 1.646 -13.705 -9.885 1.00 0.00 C ATOM 1077 CD LYS A 66 1.418 -15.175 -9.471 1.00 0.00 C ATOM 1078 CE LYS A 66 0.809 -16.018 -10.605 1.00 0.00 C ATOM 1079 NZ LYS A 66 0.568 -17.428 -10.203 1.00 0.00 N ATOM 0 H LYS A 66 3.248 -11.506 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 66 4.024 -13.926 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.656 -13.144 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.889 -11.801 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.710 -13.285 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.359 -13.669 -10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.367 -15.615 -9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.758 -15.207 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.132 -15.568 -10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.477 -15.999 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.158 -17.952 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.468 -17.869 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.091 -17.452 -9.399 1.00 0.00 H new ATOM 1093 N LEU A 67 4.249 -10.912 -9.784 1.00 0.00 N ATOM 1094 CA LEU A 67 5.042 -10.027 -10.691 1.00 0.00 C ATOM 1095 C LEU A 67 6.573 -10.351 -10.618 1.00 0.00 C ATOM 1096 O LEU A 67 7.264 -10.336 -11.632 1.00 0.00 O ATOM 1097 CB LEU A 67 4.777 -8.505 -10.412 1.00 0.00 C ATOM 1098 CG LEU A 67 3.300 -7.994 -10.591 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.177 -6.487 -10.249 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.756 -8.280 -12.011 1.00 0.00 C ATOM 0 H LEU A 67 3.510 -10.414 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 67 4.703 -10.235 -11.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.089 -8.288 -9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.420 -7.922 -11.072 1.00 0.00 H new ATOM 0 HG LEU A 67 2.686 -8.553 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.144 -6.167 -10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.476 -6.323 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.824 -5.910 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.734 -7.911 -12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.382 -7.777 -12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.769 -9.354 -12.196 1.00 0.00 H new ATOM 1112 N MET A 68 7.049 -10.692 -9.404 1.00 0.00 N ATOM 1113 CA MET A 68 8.485 -11.049 -9.198 1.00 0.00 C ATOM 1114 C MET A 68 8.775 -12.547 -9.534 1.00 0.00 C ATOM 1115 O MET A 68 9.901 -12.894 -9.908 1.00 0.00 O ATOM 1116 CB MET A 68 8.946 -10.694 -7.760 1.00 0.00 C ATOM 1117 CG MET A 68 8.879 -9.188 -7.456 1.00 0.00 C ATOM 1118 SD MET A 68 9.848 -8.708 -6.006 1.00 0.00 S ATOM 1119 CE MET A 68 9.668 -6.919 -6.032 1.00 0.00 C ATOM 0 H MET A 68 6.479 -10.731 -8.559 1.00 0.00 H new ATOM 0 HA MET A 68 9.068 -10.450 -9.898 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.324 -11.231 -7.043 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.969 -11.042 -7.617 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.236 -8.633 -8.323 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.839 -8.902 -7.301 1.00 0.00 H new ATOM 0 HE1 MET A 68 10.214 -6.486 -5.194 1.00 0.00 H new ATOM 0 HE2 MET A 68 10.068 -6.527 -6.967 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.613 -6.658 -5.951 1.00 0.00 H new ATOM 1129 N LYS A 69 7.757 -13.424 -9.377 1.00 0.00 N ATOM 1130 CA LYS A 69 7.849 -14.866 -9.802 1.00 0.00 C ATOM 1131 C LYS A 69 7.011 -15.161 -11.081 1.00 0.00 C ATOM 1132 O LYS A 69 6.622 -16.313 -11.325 1.00 0.00 O ATOM 1133 CB LYS A 69 7.450 -15.809 -8.630 1.00 0.00 C ATOM 1134 CG LYS A 69 5.955 -15.802 -8.239 1.00 0.00 C ATOM 1135 CD LYS A 69 5.654 -16.722 -7.038 1.00 0.00 C ATOM 1136 CE LYS A 69 4.177 -16.719 -6.624 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.941 -17.598 -5.446 1.00 0.00 N ATOM 0 H LYS A 69 6.860 -13.173 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 69 8.889 -15.063 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.731 -16.828 -8.897 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.037 -15.535 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.651 -14.784 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.358 -16.119 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.952 -17.741 -7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.262 -16.410 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.866 -15.701 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.563 -17.055 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.933 -17.574 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.216 -18.573 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.509 -17.262 -4.642 1.00 0.00 H new ATOM 1151 N MET A 70 6.792 -14.115 -11.919 1.00 0.00 N ATOM 1152 CA MET A 70 5.949 -14.189 -13.153 1.00 0.00 C ATOM 1153 C MET A 70 6.516 -15.202 -14.151 1.00 0.00 C ATOM 1154 O MET A 70 7.727 -15.453 -14.136 1.00 0.00 O ATOM 1155 CB MET A 70 5.829 -12.769 -13.829 1.00 0.00 C ATOM 1156 CG MET A 70 4.503 -12.029 -13.576 1.00 0.00 C ATOM 1157 SD MET A 70 3.089 -12.798 -14.398 1.00 0.00 S ATOM 1158 CE MET A 70 1.797 -11.575 -14.173 1.00 0.00 C ATOM 0 H MET A 70 7.194 -13.191 -11.762 1.00 0.00 H new ATOM 0 HA MET A 70 4.955 -14.523 -12.856 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.648 -12.145 -13.472 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.962 -12.885 -14.905 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.315 -11.991 -12.503 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.598 -10.999 -13.919 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.025 -11.718 -14.929 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.359 -11.687 -13.181 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.221 -10.576 -14.272 1.00 0.00 H new ATOM 1168 N PRO A 71 5.666 -15.813 -15.039 1.00 0.00 N ATOM 1169 CA PRO A 71 6.183 -16.638 -16.116 1.00 0.00 C ATOM 1170 C PRO A 71 6.858 -15.764 -17.191 1.00 0.00 C ATOM 1171 O PRO A 71 8.093 -15.725 -17.236 1.00 0.00 O ATOM 1172 CB PRO A 71 4.958 -17.426 -16.631 1.00 0.00 C ATOM 1173 CG PRO A 71 3.772 -16.595 -16.262 1.00 0.00 C ATOM 1174 CD PRO A 71 4.176 -15.761 -15.055 1.00 0.00 C ATOM 0 HA PRO A 71 6.966 -17.326 -15.798 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.012 -17.577 -17.709 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.904 -18.414 -16.173 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.476 -15.954 -17.093 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.916 -17.227 -16.026 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.817 -14.736 -15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.756 -16.167 -14.135 1.00 0.00 H new ATOM 1182 N PHE A 72 6.081 -15.054 -18.064 1.00 0.00 N ATOM 1183 CA PHE A 72 6.642 -14.372 -19.239 1.00 0.00 C ATOM 1184 C PHE A 72 6.670 -12.858 -18.875 1.00 0.00 C ATOM 1185 O PHE A 72 5.627 -12.269 -18.579 1.00 0.00 O ATOM 1186 CB PHE A 72 5.756 -14.601 -20.493 1.00 0.00 C ATOM 1187 CG PHE A 72 5.580 -16.067 -20.901 1.00 0.00 C ATOM 1188 CD1 PHE A 72 4.604 -16.864 -20.300 1.00 0.00 C ATOM 1189 CD2 PHE A 72 6.379 -16.643 -21.887 1.00 0.00 C ATOM 1190 CE1 PHE A 72 4.433 -18.183 -20.667 1.00 0.00 C ATOM 1191 CE2 PHE A 72 6.208 -17.964 -22.253 1.00 0.00 C ATOM 1192 CZ PHE A 72 5.235 -18.733 -21.643 1.00 0.00 C ATOM 0 H PHE A 72 5.071 -14.948 -17.964 1.00 0.00 H new ATOM 0 HA PHE A 72 7.634 -14.755 -19.478 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.772 -14.170 -20.308 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.190 -14.056 -21.331 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.971 -16.440 -19.534 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.141 -16.050 -22.371 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.672 -18.783 -20.190 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.836 -18.397 -23.018 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.103 -19.765 -21.931 1.00 0.00 H new ATOM 1202 N GLN A 73 7.856 -12.250 -18.849 1.00 0.00 N ATOM 1203 CA GLN A 73 8.035 -10.831 -18.425 1.00 0.00 C ATOM 1204 C GLN A 73 9.196 -10.144 -19.174 1.00 0.00 C ATOM 1205 O GLN A 73 9.970 -10.809 -19.871 1.00 0.00 O ATOM 1206 CB GLN A 73 8.248 -10.730 -16.880 1.00 0.00 C ATOM 1207 CG GLN A 73 9.572 -11.328 -16.335 1.00 0.00 C ATOM 1208 CD GLN A 73 9.666 -12.854 -16.436 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.167 -13.406 -17.417 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.163 -13.540 -15.427 1.00 0.00 N ATOM 0 H GLN A 73 8.726 -12.711 -19.117 1.00 0.00 H new ATOM 0 HA GLN A 73 7.117 -10.304 -18.686 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.203 -9.679 -16.595 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.416 -11.230 -16.385 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.407 -10.888 -16.880 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.685 -11.038 -15.291 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.756 -13.051 -14.630 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.182 -14.560 -15.444 1.00 0.00 H new ATOM 1219 N ARG A 74 9.293 -8.802 -19.002 1.00 0.00 N ATOM 1220 CA ARG A 74 10.427 -7.981 -19.494 1.00 0.00 C ATOM 1221 C ARG A 74 10.264 -6.511 -19.022 1.00 0.00 C ATOM 1222 O ARG A 74 9.371 -6.196 -18.243 1.00 0.00 O ATOM 1223 CB ARG A 74 10.530 -8.014 -21.058 1.00 0.00 C ATOM 1224 CG ARG A 74 9.317 -7.410 -21.809 1.00 0.00 C ATOM 1225 CD ARG A 74 9.509 -7.395 -23.336 1.00 0.00 C ATOM 1226 NE ARG A 74 8.353 -6.801 -24.044 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.052 -7.001 -25.346 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.782 -7.818 -26.101 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.998 -6.404 -25.879 1.00 0.00 N ATOM 0 H ARG A 74 8.582 -8.256 -18.515 1.00 0.00 H new ATOM 0 HA ARG A 74 11.342 -8.405 -19.082 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.429 -7.476 -21.359 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.656 -9.049 -21.377 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.422 -7.983 -21.565 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.149 -6.392 -21.458 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.410 -6.832 -23.581 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.664 -8.414 -23.690 1.00 0.00 H new ATOM 0 HE ARG A 74 7.735 -6.193 -23.507 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.583 -8.305 -25.699 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.541 -7.958 -27.082 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.414 -5.794 -25.307 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.770 -6.554 -26.862 1.00 0.00 H new ATOM 1243 N ALA A 75 11.181 -5.651 -19.479 1.00 0.00 N ATOM 1244 CA ALA A 75 11.015 -4.175 -19.442 1.00 0.00 C ATOM 1245 C ALA A 75 10.498 -3.732 -20.821 1.00 0.00 C ATOM 1246 O ALA A 75 10.967 -4.272 -21.839 1.00 0.00 O ATOM 1247 CB ALA A 75 12.324 -3.464 -19.074 1.00 0.00 C ATOM 0 H ALA A 75 12.066 -5.950 -19.888 1.00 0.00 H new ATOM 0 HA ALA A 75 10.300 -3.900 -18.667 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.161 -2.386 -19.058 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.654 -3.796 -18.090 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.089 -3.704 -19.813 1.00 0.00 H new ATOM 1253 N ILE A 76 9.547 -2.765 -20.886 1.00 0.00 N ATOM 1254 CA ILE A 76 8.800 -2.576 -22.153 1.00 0.00 C ATOM 1255 C ILE A 76 9.540 -1.510 -22.973 1.00 0.00 C ATOM 1256 O ILE A 76 9.558 -0.342 -22.589 1.00 0.00 O ATOM 1257 CB ILE A 76 7.313 -2.108 -21.890 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.506 -3.204 -21.122 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.596 -1.708 -23.209 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.329 -4.524 -21.876 1.00 0.00 C ATOM 0 H ILE A 76 9.290 -2.138 -20.124 1.00 0.00 H new ATOM 0 HA ILE A 76 8.750 -3.525 -22.688 1.00 0.00 H new ATOM 0 HB ILE A 76 7.358 -1.219 -21.261 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.008 -3.408 -20.176 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.520 -2.806 -20.880 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.577 -1.392 -22.988 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.136 -0.887 -23.682 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.572 -2.563 -23.884 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.757 -5.220 -21.262 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.797 -4.341 -22.809 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.307 -4.952 -22.094 1.00 0.00 H new ATOM 1272 N THR A 77 10.216 -1.950 -24.041 1.00 0.00 N ATOM 1273 CA THR A 77 11.004 -1.080 -24.937 1.00 0.00 C ATOM 1274 C THR A 77 10.154 0.056 -25.561 1.00 0.00 C ATOM 1275 O THR A 77 8.963 -0.127 -25.813 1.00 0.00 O ATOM 1276 CB THR A 77 11.647 -1.932 -26.078 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.607 -2.604 -26.820 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.643 -2.974 -25.529 1.00 0.00 C ATOM 0 H THR A 77 10.234 -2.932 -24.315 1.00 0.00 H new ATOM 0 HA THR A 77 11.780 -0.615 -24.328 1.00 0.00 H new ATOM 0 HB THR A 77 12.200 -1.255 -26.729 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.009 -3.137 -27.537 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.066 -3.544 -26.356 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.443 -2.465 -24.992 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.124 -3.651 -24.850 1.00 0.00 H new ATOM 1286 N LYS A 78 10.801 1.227 -25.787 1.00 0.00 N ATOM 1287 CA LYS A 78 10.229 2.389 -26.543 1.00 0.00 C ATOM 1288 C LYS A 78 9.663 2.003 -27.944 1.00 0.00 C ATOM 1289 O LYS A 78 8.818 2.713 -28.512 1.00 0.00 O ATOM 1290 CB LYS A 78 11.301 3.494 -26.682 1.00 0.00 C ATOM 1291 CG LYS A 78 11.819 4.049 -25.331 1.00 0.00 C ATOM 1292 CD LYS A 78 12.881 5.162 -25.502 1.00 0.00 C ATOM 1293 CE LYS A 78 14.119 4.687 -26.276 1.00 0.00 C ATOM 1294 NZ LYS A 78 15.157 5.736 -26.382 1.00 0.00 N ATOM 0 H LYS A 78 11.747 1.401 -25.448 1.00 0.00 H new ATOM 0 HA LYS A 78 9.380 2.756 -25.966 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.145 3.097 -27.247 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.886 4.316 -27.265 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.978 4.442 -24.759 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.247 3.233 -24.749 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.434 6.008 -26.024 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.187 5.520 -24.519 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.540 3.812 -25.780 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.820 4.373 -27.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.971 5.366 -26.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.766 6.562 -26.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.464 6.018 -25.429 1.00 0.00 H new ATOM 1308 N LYS A 79 10.085 0.825 -28.418 1.00 0.00 N ATOM 1309 CA LYS A 79 9.700 0.302 -29.726 1.00 0.00 C ATOM 1310 C LYS A 79 8.221 -0.150 -29.682 1.00 0.00 C ATOM 1311 O LYS A 79 7.463 0.093 -30.624 1.00 0.00 O ATOM 1312 CB LYS A 79 10.645 -0.852 -30.174 1.00 0.00 C ATOM 1313 CG LYS A 79 10.496 -1.256 -31.662 1.00 0.00 C ATOM 1314 CD LYS A 79 10.823 -0.088 -32.630 1.00 0.00 C ATOM 1315 CE LYS A 79 10.484 -0.404 -34.097 1.00 0.00 C ATOM 1316 NZ LYS A 79 11.212 -1.595 -34.610 1.00 0.00 N ATOM 0 H LYS A 79 10.707 0.207 -27.898 1.00 0.00 H new ATOM 0 HA LYS A 79 9.800 1.092 -30.471 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.677 -0.552 -29.993 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.453 -1.726 -29.551 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.157 -2.096 -31.875 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.477 -1.598 -31.842 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.271 0.799 -32.319 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.883 0.154 -32.553 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.411 -0.571 -34.190 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.727 0.460 -34.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.960 -1.753 -35.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.237 -1.435 -34.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.949 -2.431 -34.050 1.00 0.00 H new ATOM 1330 N GLU A 80 7.823 -0.802 -28.571 1.00 0.00 N ATOM 1331 CA GLU A 80 6.451 -1.296 -28.316 1.00 0.00 C ATOM 1332 C GLU A 80 5.627 -0.216 -27.557 1.00 0.00 C ATOM 1333 O GLU A 80 4.397 -0.172 -27.629 1.00 0.00 O ATOM 1334 CB GLU A 80 6.555 -2.595 -27.484 1.00 0.00 C ATOM 1335 CG GLU A 80 7.340 -3.737 -28.163 1.00 0.00 C ATOM 1336 CD GLU A 80 6.672 -4.236 -29.458 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.925 -3.653 -30.541 1.00 0.00 O ATOM 1338 OE2 GLU A 80 5.889 -5.211 -29.400 1.00 0.00 O ATOM 0 H GLU A 80 8.464 -1.006 -27.804 1.00 0.00 H new ATOM 0 HA GLU A 80 5.939 -1.503 -29.256 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.031 -2.362 -26.531 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.548 -2.948 -27.260 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.349 -3.393 -28.390 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.437 -4.569 -27.466 1.00 0.00 H new ATOM 1345 N GLN A 81 6.390 0.608 -26.805 1.00 0.00 N ATOM 1346 CA GLN A 81 5.817 1.890 -26.296 1.00 0.00 C ATOM 1347 C GLN A 81 5.220 2.769 -27.397 1.00 0.00 C ATOM 1348 O GLN A 81 4.207 3.432 -27.150 1.00 0.00 O ATOM 1349 CB GLN A 81 6.832 2.716 -25.464 1.00 0.00 C ATOM 1350 CG GLN A 81 7.199 2.137 -24.079 1.00 0.00 C ATOM 1351 CD GLN A 81 8.221 2.998 -23.311 1.00 0.00 C ATOM 1352 OE1 GLN A 81 8.321 4.207 -23.521 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.949 2.397 -22.385 1.00 0.00 N ATOM 0 H GLN A 81 7.359 0.429 -26.542 1.00 0.00 H new ATOM 0 HA GLN A 81 5.005 1.578 -25.639 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.748 2.823 -26.046 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.426 3.717 -25.322 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.293 2.041 -23.481 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.604 1.133 -24.208 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.849 1.394 -22.229 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.611 2.936 -21.827 1.00 0.00 H new ATOM 1362 N ALA A 82 5.865 2.795 -28.584 1.00 0.00 N ATOM 1363 CA ALA A 82 5.407 3.637 -29.710 1.00 0.00 C ATOM 1364 C ALA A 82 3.927 3.340 -30.084 1.00 0.00 C ATOM 1365 O ALA A 82 3.172 4.265 -30.393 1.00 0.00 O ATOM 1366 CB ALA A 82 6.326 3.436 -30.932 1.00 0.00 C ATOM 0 H ALA A 82 6.700 2.245 -28.786 1.00 0.00 H new ATOM 0 HA ALA A 82 5.461 4.678 -29.393 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.979 4.061 -31.755 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.346 3.715 -30.670 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.303 2.390 -31.236 1.00 0.00 H new ATOM 1372 N ASP A 83 3.517 2.047 -30.014 1.00 0.00 N ATOM 1373 CA ASP A 83 2.122 1.628 -30.289 1.00 0.00 C ATOM 1374 C ASP A 83 1.658 0.593 -29.224 1.00 0.00 C ATOM 1375 O ASP A 83 1.921 -0.621 -29.349 1.00 0.00 O ATOM 1376 CB ASP A 83 1.991 1.054 -31.741 1.00 0.00 C ATOM 1377 CG ASP A 83 0.539 1.013 -32.281 1.00 0.00 C ATOM 1378 OD1 ASP A 83 -0.355 0.457 -31.613 1.00 0.00 O ATOM 1379 OD2 ASP A 83 0.281 1.540 -33.387 1.00 0.00 O ATOM 0 H ASP A 83 4.137 1.276 -29.768 1.00 0.00 H new ATOM 0 HA ASP A 83 1.471 2.500 -30.223 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.600 1.658 -32.414 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.402 0.044 -31.759 1.00 0.00 H new ATOM 1384 N MET A 84 0.937 1.100 -28.197 1.00 0.00 N ATOM 1385 CA MET A 84 0.413 0.289 -27.067 1.00 0.00 C ATOM 1386 C MET A 84 -0.784 -0.580 -27.495 1.00 0.00 C ATOM 1387 O MET A 84 -1.066 -1.586 -26.867 1.00 0.00 O ATOM 1388 CB MET A 84 0.011 1.208 -25.868 1.00 0.00 C ATOM 1389 CG MET A 84 1.184 1.589 -24.962 1.00 0.00 C ATOM 1390 SD MET A 84 1.827 0.144 -24.092 1.00 0.00 S ATOM 1391 CE MET A 84 3.366 0.772 -23.436 1.00 0.00 C ATOM 0 H MET A 84 0.700 2.089 -28.126 1.00 0.00 H new ATOM 0 HA MET A 84 1.213 -0.379 -26.749 1.00 0.00 H new ATOM 0 HB2 MET A 84 -0.446 2.118 -26.257 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.747 0.700 -25.271 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.977 2.041 -25.558 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.861 2.339 -24.240 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.201 0.243 -23.896 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.447 1.837 -23.654 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.391 0.620 -22.357 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.471 -0.176 -28.564 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.652 -0.910 -29.036 1.00 0.00 C ATOM 1403 C GLY A 85 -2.265 -2.261 -29.620 1.00 0.00 C ATOM 1404 O GLY A 85 -2.820 -3.287 -29.248 1.00 0.00 O ATOM 0 H GLY A 85 -1.235 0.648 -29.117 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.348 -1.054 -28.209 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.172 -0.320 -29.791 1.00 0.00 H new ATOM 1408 N LYS A 86 -1.288 -2.223 -30.527 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.616 -3.418 -31.080 1.00 0.00 C ATOM 1410 C LYS A 86 0.056 -4.270 -29.973 1.00 0.00 C ATOM 1411 O LYS A 86 -0.112 -5.500 -29.935 1.00 0.00 O ATOM 1412 CB LYS A 86 0.461 -2.946 -32.088 1.00 0.00 C ATOM 1413 CG LYS A 86 1.247 -4.079 -32.796 1.00 0.00 C ATOM 1414 CD LYS A 86 2.648 -3.635 -33.276 1.00 0.00 C ATOM 1415 CE LYS A 86 3.580 -3.271 -32.106 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.939 -2.936 -32.572 1.00 0.00 N ATOM 0 H LYS A 86 -0.929 -1.349 -30.910 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.365 -4.044 -31.566 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.021 -2.331 -32.848 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.171 -2.307 -31.563 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.353 -4.921 -32.113 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.671 -4.433 -33.651 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.100 -4.436 -33.861 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.547 -2.775 -33.938 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.164 -2.424 -31.560 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.631 -4.107 -31.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.632 -3.204 -31.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.142 -3.454 -33.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.003 -1.913 -32.750 1.00 0.00 H new ATOM 1430 N LEU A 87 0.818 -3.570 -29.104 1.00 0.00 N ATOM 1431 CA LEU A 87 1.603 -4.215 -28.027 1.00 0.00 C ATOM 1432 C LEU A 87 0.677 -5.047 -27.096 1.00 0.00 C ATOM 1433 O LEU A 87 0.764 -6.274 -27.058 1.00 0.00 O ATOM 1434 CB LEU A 87 2.398 -3.154 -27.223 1.00 0.00 C ATOM 1435 CG LEU A 87 3.050 -3.649 -25.891 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.040 -4.819 -26.106 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.705 -2.485 -25.128 1.00 0.00 C ATOM 0 H LEU A 87 0.906 -2.554 -29.128 1.00 0.00 H new ATOM 0 HA LEU A 87 2.320 -4.898 -28.483 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.185 -2.757 -27.864 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.728 -2.326 -26.990 1.00 0.00 H new ATOM 0 HG LEU A 87 2.242 -4.044 -25.275 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.461 -5.120 -25.147 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.514 -5.663 -26.553 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.843 -4.499 -26.770 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.150 -2.859 -24.206 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.480 -2.034 -25.748 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.950 -1.736 -24.889 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.262 -4.347 -26.447 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.165 -4.912 -25.417 1.00 0.00 C ATOM 1451 C LYS A 88 -2.130 -5.972 -25.982 1.00 0.00 C ATOM 1452 O LYS A 88 -2.521 -6.907 -25.266 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.935 -3.741 -24.754 1.00 0.00 C ATOM 1454 CG LYS A 88 -1.015 -2.770 -23.965 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.756 -1.591 -23.282 1.00 0.00 C ATOM 1456 CE LYS A 88 -2.537 -1.994 -22.012 1.00 0.00 C ATOM 1457 NZ LYS A 88 -3.708 -2.873 -22.291 1.00 0.00 N ATOM 0 H LYS A 88 -0.424 -3.355 -26.620 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.564 -5.437 -24.675 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.466 -3.182 -25.524 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.688 -4.147 -24.078 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.480 -3.336 -23.203 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.266 -2.366 -24.646 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.030 -0.821 -23.021 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.449 -1.147 -23.997 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.862 -2.507 -21.327 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.881 -1.093 -21.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.511 -2.580 -21.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.971 -2.793 -23.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.461 -3.860 -22.075 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.489 -5.793 -27.264 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.377 -6.707 -28.012 1.00 0.00 C ATOM 1473 C LYS A 89 -2.870 -8.165 -27.921 1.00 0.00 C ATOM 1474 O LYS A 89 -3.559 -9.049 -27.394 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.426 -6.247 -29.502 1.00 0.00 C ATOM 1476 CG LYS A 89 -4.242 -7.128 -30.470 1.00 0.00 C ATOM 1477 CD LYS A 89 -4.110 -6.674 -31.950 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.648 -6.650 -32.447 1.00 0.00 C ATOM 1479 NZ LYS A 89 -1.974 -7.972 -32.325 1.00 0.00 N ATOM 0 H LYS A 89 -2.168 -5.000 -27.820 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.376 -6.674 -27.578 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.835 -5.237 -29.534 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.403 -6.189 -29.874 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.910 -8.162 -30.381 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.292 -7.104 -30.179 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.692 -7.344 -32.583 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.541 -5.679 -32.059 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.629 -6.333 -33.490 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.088 -5.908 -31.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.264 -7.931 -31.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.680 -8.702 -32.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.507 -8.208 -33.224 1.00 0.00 H new ATOM 1493 N SER A 90 -1.654 -8.372 -28.445 1.00 0.00 N ATOM 1494 CA SER A 90 -1.031 -9.693 -28.585 1.00 0.00 C ATOM 1495 C SER A 90 -0.786 -10.387 -27.225 1.00 0.00 C ATOM 1496 O SER A 90 -1.183 -11.545 -27.028 1.00 0.00 O ATOM 1497 CB SER A 90 0.307 -9.519 -29.338 1.00 0.00 C ATOM 1498 OG SER A 90 0.117 -8.808 -30.559 1.00 0.00 O ATOM 0 H SER A 90 -1.067 -7.612 -28.789 1.00 0.00 H new ATOM 0 HA SER A 90 -1.714 -10.336 -29.140 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.016 -8.983 -28.707 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.741 -10.497 -29.546 1.00 0.00 H new ATOM 0 HG SER A 90 0.978 -8.709 -31.017 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.131 -9.650 -26.312 1.00 0.00 N ATOM 1505 CA VAL A 91 0.409 -10.206 -25.049 1.00 0.00 C ATOM 1506 C VAL A 91 -0.691 -10.822 -24.137 1.00 0.00 C ATOM 1507 O VAL A 91 -0.460 -11.858 -23.483 1.00 0.00 O ATOM 1508 CB VAL A 91 1.179 -9.107 -24.232 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.955 -9.731 -23.056 1.00 0.00 C ATOM 1510 CG2 VAL A 91 2.115 -8.266 -25.126 1.00 0.00 C ATOM 0 H VAL A 91 0.042 -8.651 -26.424 1.00 0.00 H new ATOM 0 HA VAL A 91 1.091 -11.002 -25.347 1.00 0.00 H new ATOM 0 HB VAL A 91 0.428 -8.429 -23.825 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.478 -8.947 -22.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.258 -10.237 -22.388 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.678 -10.451 -23.439 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.626 -7.520 -24.517 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.852 -8.918 -25.595 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.529 -7.766 -25.897 1.00 0.00 H new ATOM 1520 N ARG A 92 -1.854 -10.123 -24.078 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.061 -10.512 -23.302 1.00 0.00 C ATOM 1522 C ARG A 92 -2.905 -10.174 -21.798 1.00 0.00 C ATOM 1523 O ARG A 92 -3.572 -9.266 -21.293 1.00 0.00 O ATOM 1524 CB ARG A 92 -3.452 -12.006 -23.508 1.00 0.00 C ATOM 1525 CG ARG A 92 -4.820 -12.409 -22.905 1.00 0.00 C ATOM 1526 CD ARG A 92 -5.118 -13.913 -23.054 1.00 0.00 C ATOM 1527 NE ARG A 92 -4.125 -14.748 -22.337 1.00 0.00 N ATOM 1528 CZ ARG A 92 -4.298 -15.297 -21.122 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -5.396 -15.067 -20.417 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -3.350 -16.061 -20.610 1.00 0.00 N ATOM 0 H ARG A 92 -1.982 -9.247 -24.584 1.00 0.00 H new ATOM 0 HA ARG A 92 -3.884 -9.916 -23.696 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.465 -12.219 -24.577 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.678 -12.634 -23.067 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.839 -12.142 -21.848 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.609 -11.837 -23.392 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.116 -14.125 -22.669 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.121 -14.179 -24.111 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.235 -14.921 -22.805 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.128 -14.465 -20.794 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.510 -15.492 -19.497 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.493 -16.232 -21.136 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.475 -16.480 -19.689 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.980 -10.874 -21.092 1.00 0.00 N ATOM 1545 CA GLY A 93 -1.754 -10.662 -19.636 1.00 0.00 C ATOM 1546 C GLY A 93 -0.799 -9.495 -19.319 1.00 0.00 C ATOM 1547 O GLY A 93 -0.193 -9.448 -18.243 1.00 0.00 O ATOM 0 H GLY A 93 -1.380 -11.588 -21.505 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.713 -10.476 -19.152 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.350 -11.577 -19.203 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.692 -8.572 -20.290 1.00 0.00 N ATOM 1552 CA LEU A 94 0.235 -7.435 -20.212 1.00 0.00 C ATOM 1553 C LEU A 94 -0.168 -6.422 -19.113 1.00 0.00 C ATOM 1554 O LEU A 94 -1.190 -5.738 -19.201 1.00 0.00 O ATOM 1555 CB LEU A 94 0.439 -6.722 -21.556 1.00 0.00 C ATOM 1556 CG LEU A 94 1.571 -5.645 -21.556 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.898 -6.194 -20.971 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.789 -5.087 -22.966 1.00 0.00 C ATOM 0 H LEU A 94 -1.244 -8.595 -21.147 1.00 0.00 H new ATOM 0 HA LEU A 94 1.195 -7.871 -19.935 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.666 -7.468 -22.317 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.498 -6.246 -21.845 1.00 0.00 H new ATOM 0 HG LEU A 94 1.244 -4.833 -20.907 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.656 -5.411 -20.991 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.736 -6.516 -19.942 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.236 -7.041 -21.568 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.581 -4.339 -22.943 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.074 -5.897 -23.638 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.867 -4.628 -23.322 1.00 0.00 H new ATOM 1570 N VAL A 95 0.689 -6.380 -18.094 1.00 0.00 N ATOM 1571 CA VAL A 95 0.669 -5.429 -16.969 1.00 0.00 C ATOM 1572 C VAL A 95 1.854 -4.483 -17.197 1.00 0.00 C ATOM 1573 O VAL A 95 2.946 -4.985 -17.415 1.00 0.00 O ATOM 1574 CB VAL A 95 0.830 -6.179 -15.590 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.827 -5.192 -14.390 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.257 -7.272 -15.425 1.00 0.00 C ATOM 0 H VAL A 95 1.461 -7.043 -18.021 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.278 -4.892 -16.928 1.00 0.00 H new ATOM 0 HB VAL A 95 1.803 -6.669 -15.596 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.940 -5.749 -13.460 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.654 -4.489 -14.495 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.115 -4.644 -14.372 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.125 -7.775 -14.467 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.244 -6.811 -15.460 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.167 -7.999 -16.232 1.00 0.00 H new ATOM 1586 N VAL A 96 1.678 -3.138 -17.163 1.00 0.00 N ATOM 1587 CA VAL A 96 2.753 -2.177 -17.538 1.00 0.00 C ATOM 1588 C VAL A 96 2.917 -1.163 -16.379 1.00 0.00 C ATOM 1589 O VAL A 96 2.063 -0.290 -16.193 1.00 0.00 O ATOM 1590 CB VAL A 96 2.434 -1.396 -18.884 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.599 -0.458 -19.285 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.093 -2.358 -20.044 1.00 0.00 C ATOM 0 H VAL A 96 0.805 -2.693 -16.881 1.00 0.00 H new ATOM 0 HA VAL A 96 3.670 -2.740 -17.710 1.00 0.00 H new ATOM 0 HB VAL A 96 1.553 -0.784 -18.689 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.347 0.060 -20.210 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.767 0.273 -18.494 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.505 -1.046 -19.434 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.882 -1.782 -20.945 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.939 -3.021 -20.228 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.218 -2.951 -19.779 1.00 0.00 H new ATOM 1602 N VAL A 97 3.991 -1.303 -15.587 1.00 0.00 N ATOM 1603 CA VAL A 97 4.228 -0.493 -14.364 1.00 0.00 C ATOM 1604 C VAL A 97 5.224 0.644 -14.690 1.00 0.00 C ATOM 1605 O VAL A 97 6.351 0.364 -15.117 1.00 0.00 O ATOM 1606 CB VAL A 97 4.782 -1.387 -13.191 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.837 -0.600 -11.854 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.960 -2.701 -13.034 1.00 0.00 C ATOM 0 H VAL A 97 4.729 -1.983 -15.771 1.00 0.00 H new ATOM 0 HA VAL A 97 3.280 -0.066 -14.036 1.00 0.00 H new ATOM 0 HB VAL A 97 5.802 -1.666 -13.454 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.224 -1.247 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.491 0.265 -11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.835 -0.264 -11.588 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.371 -3.292 -12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.920 -2.456 -12.818 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.013 -3.276 -13.959 1.00 0.00 H new ATOM 1618 N HIS A 98 4.817 1.921 -14.498 1.00 0.00 N ATOM 1619 CA HIS A 98 5.599 3.108 -14.902 1.00 0.00 C ATOM 1620 C HIS A 98 6.438 3.618 -13.689 1.00 0.00 C ATOM 1621 O HIS A 98 5.985 3.490 -12.553 1.00 0.00 O ATOM 1622 CB HIS A 98 4.582 4.186 -15.385 1.00 0.00 C ATOM 1623 CG HIS A 98 5.173 5.522 -15.777 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.358 6.528 -14.857 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.594 5.960 -16.990 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.876 7.534 -15.531 1.00 0.00 C ATOM 1627 NE2 HIS A 98 6.036 7.237 -16.819 1.00 0.00 N ATOM 0 H HIS A 98 3.929 2.156 -14.054 1.00 0.00 H new ATOM 0 HA HIS A 98 6.298 2.875 -15.706 1.00 0.00 H new ATOM 0 HB2 HIS A 98 4.037 3.786 -16.240 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.853 4.352 -14.592 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.581 5.402 -17.915 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.139 8.485 -15.092 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.417 7.849 -17.540 1.00 0.00 H new ATOM 1635 N PRO A 99 7.674 4.187 -13.905 1.00 0.00 N ATOM 1636 CA PRO A 99 8.543 4.699 -12.803 1.00 0.00 C ATOM 1637 C PRO A 99 7.888 5.809 -11.941 1.00 0.00 C ATOM 1638 O PRO A 99 7.695 5.636 -10.730 1.00 0.00 O ATOM 1639 CB PRO A 99 9.789 5.243 -13.562 1.00 0.00 C ATOM 1640 CG PRO A 99 9.342 5.424 -14.980 1.00 0.00 C ATOM 1641 CD PRO A 99 8.353 4.322 -15.220 1.00 0.00 C ATOM 0 HA PRO A 99 8.764 3.916 -12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.129 6.186 -13.134 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.623 4.545 -13.499 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.886 6.403 -15.128 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.183 5.357 -15.670 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.650 4.577 -16.013 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.845 3.396 -15.517 1.00 0.00 H new ATOM 1649 N MET A 100 7.509 6.918 -12.603 1.00 0.00 N ATOM 1650 CA MET A 100 7.147 8.180 -11.917 1.00 0.00 C ATOM 1651 C MET A 100 5.722 8.146 -11.351 1.00 0.00 C ATOM 1652 O MET A 100 5.330 9.055 -10.605 1.00 0.00 O ATOM 1653 CB MET A 100 7.320 9.386 -12.873 1.00 0.00 C ATOM 1654 CG MET A 100 8.707 9.496 -13.513 1.00 0.00 C ATOM 1655 SD MET A 100 8.919 10.992 -14.507 1.00 0.00 S ATOM 1656 CE MET A 100 7.660 10.796 -15.774 1.00 0.00 C ATOM 0 H MET A 100 7.444 6.969 -13.620 1.00 0.00 H new ATOM 0 HA MET A 100 7.827 8.293 -11.073 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.573 9.316 -13.664 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.115 10.303 -12.321 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.464 9.479 -12.729 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.880 8.623 -14.142 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.822 11.529 -16.564 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.719 9.792 -16.193 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.674 10.948 -15.334 1.00 0.00 H new ATOM 1666 N THR A 101 4.956 7.094 -11.679 1.00 0.00 N ATOM 1667 CA THR A 101 3.643 6.833 -11.062 1.00 0.00 C ATOM 1668 C THR A 101 3.823 6.381 -9.611 1.00 0.00 C ATOM 1669 O THR A 101 4.957 6.169 -9.144 1.00 0.00 O ATOM 1670 CB THR A 101 2.826 5.742 -11.838 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.579 4.525 -11.925 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.423 6.210 -13.249 1.00 0.00 C ATOM 0 H THR A 101 5.227 6.401 -12.377 1.00 0.00 H new ATOM 0 HA THR A 101 3.083 7.767 -11.102 1.00 0.00 H new ATOM 0 HB THR A 101 1.909 5.566 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.383 4.675 -12.465 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.859 5.421 -13.747 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.805 7.105 -13.173 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.319 6.436 -13.827 1.00 0.00 H new ATOM 1680 N ALA A 102 2.691 6.237 -8.909 1.00 0.00 N ATOM 1681 CA ALA A 102 2.664 5.769 -7.533 1.00 0.00 C ATOM 1682 C ALA A 102 3.334 4.387 -7.407 1.00 0.00 C ATOM 1683 O ALA A 102 4.359 4.280 -6.742 1.00 0.00 O ATOM 1684 CB ALA A 102 1.218 5.741 -7.008 1.00 0.00 C ATOM 0 H ALA A 102 1.768 6.445 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 102 3.235 6.465 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.212 5.389 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.796 6.745 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.620 5.069 -7.624 1.00 0.00 H new ATOM 1690 N LEU A 103 2.737 3.350 -8.049 1.00 0.00 N ATOM 1691 CA LEU A 103 3.140 1.929 -7.880 1.00 0.00 C ATOM 1692 C LEU A 103 4.621 1.692 -8.273 1.00 0.00 C ATOM 1693 O LEU A 103 5.285 0.849 -7.663 1.00 0.00 O ATOM 1694 CB LEU A 103 2.229 0.962 -8.706 1.00 0.00 C ATOM 1695 CG LEU A 103 2.399 -0.569 -8.382 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.077 -0.881 -6.896 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.565 -1.457 -9.342 1.00 0.00 C ATOM 0 H LEU A 103 1.961 3.476 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 103 3.019 1.710 -6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.188 1.238 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.432 1.116 -9.766 1.00 0.00 H new ATOM 0 HG LEU A 103 3.449 -0.814 -8.545 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.206 -1.948 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.752 -0.317 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.047 -0.597 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.710 -2.506 -9.085 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.509 -1.203 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.889 -1.287 -10.369 1.00 0.00 H new ATOM 1709 N GLY A 104 5.100 2.349 -9.353 1.00 0.00 N ATOM 1710 CA GLY A 104 6.530 2.331 -9.694 1.00 0.00 C ATOM 1711 C GLY A 104 7.433 2.734 -8.526 1.00 0.00 C ATOM 1712 O GLY A 104 8.112 1.881 -7.964 1.00 0.00 O ATOM 0 H GLY A 104 4.520 2.891 -9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.805 1.331 -10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.706 3.007 -10.531 1.00 0.00 H new ATOM 1716 N ARG A 105 7.427 4.039 -8.181 1.00 0.00 N ATOM 1717 CA ARG A 105 8.137 4.593 -6.984 1.00 0.00 C ATOM 1718 C ARG A 105 7.926 3.731 -5.703 1.00 0.00 C ATOM 1719 O ARG A 105 8.837 3.599 -4.887 1.00 0.00 O ATOM 1720 CB ARG A 105 7.685 6.058 -6.713 1.00 0.00 C ATOM 1721 CG ARG A 105 8.047 7.058 -7.835 1.00 0.00 C ATOM 1722 CD ARG A 105 7.500 8.476 -7.583 1.00 0.00 C ATOM 1723 NE ARG A 105 6.030 8.517 -7.728 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.172 9.207 -6.968 1.00 0.00 C ATOM 1725 NH1 ARG A 105 5.582 9.895 -5.912 1.00 0.00 N ATOM 1726 NH2 ARG A 105 3.887 9.165 -7.259 1.00 0.00 N ATOM 0 H ARG A 105 6.931 4.749 -8.720 1.00 0.00 H new ATOM 0 HA ARG A 105 9.202 4.572 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.605 6.071 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.137 6.398 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.131 7.106 -7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.656 6.688 -8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.778 8.803 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.957 9.174 -8.284 1.00 0.00 H new ATOM 0 HE ARG A 105 5.629 7.963 -8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.571 9.906 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.908 10.413 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.562 8.613 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.218 9.685 -6.691 1.00 0.00 H new ATOM 1740 N GLU A 106 6.705 3.181 -5.576 1.00 0.00 N ATOM 1741 CA GLU A 106 6.335 2.218 -4.497 1.00 0.00 C ATOM 1742 C GLU A 106 7.338 1.042 -4.483 1.00 0.00 C ATOM 1743 O GLU A 106 8.166 0.935 -3.568 1.00 0.00 O ATOM 1744 CB GLU A 106 4.879 1.674 -4.634 1.00 0.00 C ATOM 1745 CG GLU A 106 4.381 0.801 -3.452 1.00 0.00 C ATOM 1746 CD GLU A 106 4.403 1.527 -2.096 1.00 0.00 C ATOM 1747 OE1 GLU A 106 3.573 2.437 -1.883 1.00 0.00 O ATOM 1748 OE2 GLU A 106 5.253 1.201 -1.243 1.00 0.00 O ATOM 0 H GLU A 106 5.937 3.386 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 106 6.378 2.764 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.202 2.521 -4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.813 1.087 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.364 0.469 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.001 -0.093 -3.386 1.00 0.00 H new ATOM 1755 N MET A 107 7.278 0.170 -5.517 1.00 0.00 N ATOM 1756 CA MET A 107 8.176 -0.993 -5.707 1.00 0.00 C ATOM 1757 C MET A 107 9.632 -0.568 -6.041 1.00 0.00 C ATOM 1758 O MET A 107 10.509 -1.422 -6.145 1.00 0.00 O ATOM 1759 CB MET A 107 7.609 -1.896 -6.848 1.00 0.00 C ATOM 1760 CG MET A 107 6.266 -2.586 -6.533 1.00 0.00 C ATOM 1761 SD MET A 107 5.534 -3.399 -7.977 1.00 0.00 S ATOM 1762 CE MET A 107 6.819 -4.548 -8.484 1.00 0.00 C ATOM 0 H MET A 107 6.586 0.258 -6.261 1.00 0.00 H new ATOM 0 HA MET A 107 8.212 -1.545 -4.768 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.485 -1.287 -7.744 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.347 -2.663 -7.083 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.419 -3.324 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.566 -1.846 -6.145 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.429 -5.212 -9.255 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.669 -3.992 -8.879 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.139 -5.138 -7.625 1.00 0.00 H new ATOM 1772 N GLY A 108 9.869 0.742 -6.223 1.00 0.00 N ATOM 1773 CA GLY A 108 11.213 1.288 -6.435 1.00 0.00 C ATOM 1774 C GLY A 108 11.721 1.172 -7.874 1.00 0.00 C ATOM 1775 O GLY A 108 12.928 1.049 -8.094 1.00 0.00 O ATOM 0 H GLY A 108 9.133 1.448 -6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.215 2.339 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.910 0.773 -5.774 1.00 0.00 H new ATOM 1779 N LEU A 109 10.803 1.238 -8.856 1.00 0.00 N ATOM 1780 CA LEU A 109 11.145 1.153 -10.294 1.00 0.00 C ATOM 1781 C LEU A 109 11.462 2.554 -10.855 1.00 0.00 C ATOM 1782 O LEU A 109 10.733 3.513 -10.578 1.00 0.00 O ATOM 1783 CB LEU A 109 9.983 0.513 -11.107 1.00 0.00 C ATOM 1784 CG LEU A 109 9.484 -0.893 -10.631 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.395 -1.447 -11.580 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.648 -1.905 -10.476 1.00 0.00 C ATOM 0 H LEU A 109 9.805 1.351 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 109 12.027 0.520 -10.391 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.136 1.199 -11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.301 0.428 -12.146 1.00 0.00 H new ATOM 0 HG LEU A 109 9.042 -0.756 -9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.067 -2.424 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.546 -0.763 -11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.804 -1.544 -12.586 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.253 -2.865 -10.144 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.151 -2.031 -11.435 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.359 -1.531 -9.740 1.00 0.00 H new ATOM 1798 N GLU A 110 12.557 2.651 -11.636 1.00 0.00 N ATOM 1799 CA GLU A 110 12.974 3.888 -12.351 1.00 0.00 C ATOM 1800 C GLU A 110 12.850 3.699 -13.888 1.00 0.00 C ATOM 1801 O GLU A 110 13.257 4.567 -14.670 1.00 0.00 O ATOM 1802 CB GLU A 110 14.430 4.257 -11.969 1.00 0.00 C ATOM 1803 CG GLU A 110 15.473 3.215 -12.410 1.00 0.00 C ATOM 1804 CD GLU A 110 16.899 3.584 -11.986 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.574 4.345 -12.715 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.352 3.131 -10.916 1.00 0.00 O ATOM 0 H GLU A 110 13.189 1.866 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 110 12.314 4.702 -12.052 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.680 5.219 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.491 4.383 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.212 2.245 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.437 3.109 -13.494 1.00 0.00 H new ATOM 1813 N GLU A 111 12.246 2.565 -14.281 1.00 0.00 N ATOM 1814 CA GLU A 111 12.010 2.211 -15.705 1.00 0.00 C ATOM 1815 C GLU A 111 10.607 1.603 -15.876 1.00 0.00 C ATOM 1816 O GLU A 111 10.100 0.945 -14.958 1.00 0.00 O ATOM 1817 CB GLU A 111 13.107 1.213 -16.186 1.00 0.00 C ATOM 1818 CG GLU A 111 12.964 0.697 -17.636 1.00 0.00 C ATOM 1819 CD GLU A 111 12.868 1.821 -18.686 1.00 0.00 C ATOM 1820 OE1 GLU A 111 13.800 2.643 -18.772 1.00 0.00 O ATOM 1821 OE2 GLU A 111 11.869 1.878 -19.435 1.00 0.00 O ATOM 0 H GLU A 111 11.904 1.862 -13.625 1.00 0.00 H new ATOM 0 HA GLU A 111 12.066 3.113 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 111 14.079 1.697 -16.088 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.109 0.355 -15.514 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.818 0.063 -17.873 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.074 0.071 -17.704 1.00 0.00 H new ATOM 1828 N MET A 112 9.967 1.871 -17.046 1.00 0.00 N ATOM 1829 CA MET A 112 8.682 1.255 -17.422 1.00 0.00 C ATOM 1830 C MET A 112 8.922 -0.229 -17.712 1.00 0.00 C ATOM 1831 O MET A 112 9.635 -0.593 -18.666 1.00 0.00 O ATOM 1832 CB MET A 112 8.054 1.942 -18.670 1.00 0.00 C ATOM 1833 CG MET A 112 6.856 1.182 -19.274 1.00 0.00 C ATOM 1834 SD MET A 112 5.862 2.168 -20.411 1.00 0.00 S ATOM 1835 CE MET A 112 4.936 3.180 -19.257 1.00 0.00 C ATOM 0 H MET A 112 10.332 2.517 -17.746 1.00 0.00 H new ATOM 0 HA MET A 112 7.981 1.378 -16.597 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.731 2.946 -18.394 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.823 2.053 -19.435 1.00 0.00 H new ATOM 0 HG2 MET A 112 7.225 0.301 -19.800 1.00 0.00 H new ATOM 0 HG3 MET A 112 6.219 0.826 -18.464 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.921 4.212 -19.609 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.915 2.806 -19.184 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.409 3.138 -18.276 1.00 0.00 H new ATOM 1845 N THR A 113 8.319 -1.072 -16.883 1.00 0.00 N ATOM 1846 CA THR A 113 8.556 -2.508 -16.896 1.00 0.00 C ATOM 1847 C THR A 113 7.206 -3.143 -17.301 1.00 0.00 C ATOM 1848 O THR A 113 6.172 -2.455 -17.209 1.00 0.00 O ATOM 1849 CB THR A 113 8.982 -2.950 -15.450 1.00 0.00 C ATOM 1850 OG1 THR A 113 10.050 -2.104 -14.991 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.428 -4.416 -15.370 1.00 0.00 C ATOM 0 H THR A 113 7.646 -0.774 -16.177 1.00 0.00 H new ATOM 0 HA THR A 113 9.345 -2.812 -17.584 1.00 0.00 H new ATOM 0 HB THR A 113 8.101 -2.851 -14.816 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.317 -2.376 -14.088 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.709 -4.656 -14.344 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.609 -5.063 -15.683 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.284 -4.572 -16.026 1.00 0.00 H new ATOM 1859 N GLY A 114 7.161 -4.412 -17.752 1.00 0.00 N ATOM 1860 CA GLY A 114 5.873 -5.063 -17.984 1.00 0.00 C ATOM 1861 C GLY A 114 5.938 -6.580 -17.927 1.00 0.00 C ATOM 1862 O GLY A 114 6.827 -7.201 -18.509 1.00 0.00 O ATOM 0 H GLY A 114 7.979 -4.986 -17.956 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.158 -4.710 -17.241 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.493 -4.761 -18.960 1.00 0.00 H new ATOM 1866 N PHE A 115 4.939 -7.160 -17.262 1.00 0.00 N ATOM 1867 CA PHE A 115 4.853 -8.599 -16.956 1.00 0.00 C ATOM 1868 C PHE A 115 3.716 -9.233 -17.762 1.00 0.00 C ATOM 1869 O PHE A 115 2.923 -8.504 -18.380 1.00 0.00 O ATOM 1870 CB PHE A 115 4.594 -8.762 -15.440 1.00 0.00 C ATOM 1871 CG PHE A 115 5.560 -7.962 -14.559 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.774 -8.503 -14.153 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.248 -6.660 -14.148 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.644 -7.780 -13.362 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.121 -5.938 -13.356 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.318 -6.499 -12.963 1.00 0.00 C ATOM 0 H PHE A 115 4.141 -6.632 -16.909 1.00 0.00 H new ATOM 0 HA PHE A 115 5.784 -9.098 -17.225 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.573 -8.451 -15.220 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.669 -9.818 -15.179 1.00 0.00 H new ATOM 0 HD1 PHE A 115 7.041 -9.503 -14.461 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.313 -6.214 -14.454 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.582 -8.217 -13.054 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.866 -4.936 -13.045 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.000 -5.936 -12.343 1.00 0.00 H new ATOM 1886 N SER A 116 3.611 -10.581 -17.736 1.00 0.00 N ATOM 1887 CA SER A 116 2.523 -11.297 -18.413 1.00 0.00 C ATOM 1888 C SER A 116 2.474 -12.766 -17.965 1.00 0.00 C ATOM 1889 O SER A 116 3.459 -13.340 -17.461 1.00 0.00 O ATOM 1890 CB SER A 116 2.633 -11.211 -19.946 1.00 0.00 C ATOM 1891 OG SER A 116 1.487 -11.770 -20.585 1.00 0.00 O ATOM 0 H SER A 116 4.271 -11.189 -17.251 1.00 0.00 H new ATOM 0 HA SER A 116 1.594 -10.806 -18.124 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.746 -10.169 -20.246 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.528 -11.737 -20.278 1.00 0.00 H new ATOM 0 HG SER A 116 1.774 -12.364 -21.310 1.00 0.00 H new ATOM 1897 N LYS A 117 1.304 -13.370 -18.177 1.00 0.00 N ATOM 1898 CA LYS A 117 1.080 -14.800 -17.967 1.00 0.00 C ATOM 1899 C LYS A 117 1.258 -15.567 -19.281 1.00 0.00 C ATOM 1900 O LYS A 117 1.295 -16.794 -19.286 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.329 -15.028 -17.367 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.494 -14.477 -15.924 1.00 0.00 C ATOM 1903 CD LYS A 117 0.403 -15.208 -14.887 1.00 0.00 C ATOM 1904 CE LYS A 117 0.136 -16.724 -14.814 1.00 0.00 C ATOM 1905 NZ LYS A 117 -1.257 -17.031 -14.403 1.00 0.00 N ATOM 0 H LYS A 117 0.475 -12.873 -18.503 1.00 0.00 H new ATOM 0 HA LYS A 117 1.818 -15.180 -17.260 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.069 -14.556 -18.013 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.544 -16.097 -17.364 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.254 -13.414 -15.918 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.537 -14.570 -15.623 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.450 -15.042 -15.141 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.240 -14.769 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.333 -17.173 -15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.830 -17.179 -14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.380 -18.061 -14.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -1.449 -16.598 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.919 -16.649 -15.108 1.00 0.00 H new ATOM 1919 N THR A 118 1.397 -14.822 -20.392 1.00 0.00 N ATOM 1920 CA THR A 118 1.560 -15.395 -21.735 1.00 0.00 C ATOM 1921 C THR A 118 2.632 -14.597 -22.502 1.00 0.00 C ATOM 1922 O THR A 118 3.043 -13.523 -22.063 1.00 0.00 O ATOM 1923 CB THR A 118 0.195 -15.416 -22.525 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.913 -15.292 -21.618 1.00 0.00 O ATOM 1925 CG2 THR A 118 0.023 -16.719 -23.325 1.00 0.00 C ATOM 0 H THR A 118 1.399 -13.802 -20.381 1.00 0.00 H new ATOM 0 HA THR A 118 1.885 -16.431 -21.637 1.00 0.00 H new ATOM 0 HB THR A 118 0.214 -14.573 -23.216 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.428 -14.488 -21.839 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.929 -16.697 -23.856 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.837 -16.815 -24.043 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.038 -17.569 -22.643 1.00 0.00 H new ATOM 1933 N THR A 119 3.084 -15.144 -23.635 1.00 0.00 N ATOM 1934 CA THR A 119 4.141 -14.546 -24.464 1.00 0.00 C ATOM 1935 C THR A 119 3.705 -13.174 -25.026 1.00 0.00 C ATOM 1936 O THR A 119 2.506 -12.921 -25.227 1.00 0.00 O ATOM 1937 CB THR A 119 4.546 -15.521 -25.619 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.706 -15.034 -26.314 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.406 -15.744 -26.627 1.00 0.00 C ATOM 0 H THR A 119 2.724 -16.023 -24.008 1.00 0.00 H new ATOM 0 HA THR A 119 5.013 -14.379 -23.832 1.00 0.00 H new ATOM 0 HB THR A 119 4.772 -16.478 -25.149 1.00 0.00 H new ATOM 0 HG1 THR A 119 5.944 -15.658 -27.031 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.739 -16.428 -27.408 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.545 -16.171 -26.114 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.125 -14.791 -27.075 1.00 0.00 H new ATOM 1947 N PHE A 120 4.686 -12.296 -25.247 1.00 0.00 N ATOM 1948 CA PHE A 120 4.444 -10.916 -25.680 1.00 0.00 C ATOM 1949 C PHE A 120 4.224 -10.858 -27.201 1.00 0.00 C ATOM 1950 O PHE A 120 5.210 -10.935 -27.955 1.00 0.00 O ATOM 1951 CB PHE A 120 5.601 -9.980 -25.225 1.00 0.00 C ATOM 1952 CG PHE A 120 5.662 -9.746 -23.708 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.757 -10.816 -22.819 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.621 -8.458 -23.175 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.817 -10.600 -21.463 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.679 -8.249 -21.812 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.776 -9.319 -20.958 1.00 0.00 C ATOM 1958 OXT PHE A 120 3.061 -10.749 -27.642 1.00 0.00 O ATOM 0 H PHE A 120 5.674 -12.522 -25.131 1.00 0.00 H new ATOM 0 HA PHE A 120 3.533 -10.557 -25.202 1.00 0.00 H new ATOM 0 HB2 PHE A 120 6.549 -10.406 -25.554 1.00 0.00 H new ATOM 0 HB3 PHE A 120 5.493 -9.018 -25.726 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.784 -11.826 -23.200 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.543 -7.610 -23.840 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.897 -11.440 -20.789 1.00 0.00 H new ATOM 0 HE2 PHE A 120 5.648 -7.244 -21.418 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.820 -9.157 -19.891 1.00 0.00 H new TER 1968 PHE A 120