USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 50 THR OG1 : rot 39:sc= -0.0528 USER MOD Set 1.2: A 57 CYS SG : rot 76:sc= -1.17 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 35 ASN : amide:sc= -3.59 X(o=-3.6,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.00725 (180deg=0) USER MOD Single : A 2 SER OG : rot -170:sc= -0.043 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 10 ASN : amide:sc= -1.69! C(o=-1.7!,f=-5!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.8!) USER MOD Single : A 19 GLN : amide:sc= -0.246 K(o=-0.25,f=-2.8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.99 X(o=-2,f=-2) USER MOD Single : A 29 GLN : amide:sc= -0.416 K(o=-0.42,f=-3!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.009) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 1.18 (180deg=1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.13) USER MOD Single : A 54 GLN : amide:sc= -0.306 K(o=-0.31,f=-0.88) USER MOD Single : A 62 HIS : no HD1:sc= -2.33! K(o=-2.3!,f=-3.1) USER MOD Single : A 64 CYS SG : rot -61:sc= -2.63 USER MOD Single : A 65 ASN : amide:sc= -1.62! C(o=-1.6!,f=-4.3!) USER MOD Single : A 69 ASN : amide:sc= -0.185 X(o=-0.18,f=-0.061) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.99 K(o=-2,f=-1.3!) USER MOD Single : A 82 THR OG1 : rot 13:sc= 0.31 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.00573 X(o=-0.0057,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.056 -3.562 -26.768 1.00 0.00 N ATOM 2 CA GLY A 1 13.776 -2.327 -26.055 1.00 0.00 C ATOM 3 C GLY A 1 12.293 -2.226 -25.694 1.00 0.00 C ATOM 4 O GLY A 1 11.696 -3.196 -25.230 1.00 0.00 O ATOM 0 H1 GLY A 1 14.926 -3.991 -26.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.262 -4.223 -26.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.180 -3.358 -27.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.379 -2.282 -25.148 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.063 -1.474 -26.671 1.00 0.00 H new ATOM 8 N SER A 2 11.740 -1.043 -25.921 1.00 0.00 N ATOM 9 CA SER A 2 10.338 -0.803 -25.626 1.00 0.00 C ATOM 10 C SER A 2 9.470 -1.265 -26.798 1.00 0.00 C ATOM 11 O SER A 2 9.962 -1.427 -27.913 1.00 0.00 O ATOM 12 CB SER A 2 10.083 0.676 -25.327 1.00 0.00 C ATOM 13 OG SER A 2 8.718 0.929 -25.008 1.00 0.00 O ATOM 0 H SER A 2 12.238 -0.240 -26.306 1.00 0.00 H new ATOM 0 HA SER A 2 10.073 -1.376 -24.738 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.714 0.992 -24.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.370 1.275 -26.191 1.00 0.00 H new ATOM 0 HG SER A 2 8.563 1.896 -24.979 1.00 0.00 H new ATOM 19 N SER A 3 8.193 -1.465 -26.504 1.00 0.00 N ATOM 20 CA SER A 3 7.252 -1.905 -27.520 1.00 0.00 C ATOM 21 C SER A 3 5.819 -1.742 -27.011 1.00 0.00 C ATOM 22 O SER A 3 5.538 -2.004 -25.842 1.00 0.00 O ATOM 23 CB SER A 3 7.512 -3.359 -27.918 1.00 0.00 C ATOM 24 OG SER A 3 7.517 -4.229 -26.789 1.00 0.00 O ATOM 0 H SER A 3 7.789 -1.330 -25.577 1.00 0.00 H new ATOM 0 HA SER A 3 7.389 -1.284 -28.405 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.747 -3.684 -28.623 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.470 -3.428 -28.433 1.00 0.00 H new ATOM 0 HG SER A 3 7.684 -5.148 -27.085 1.00 0.00 H new ATOM 30 N GLY A 4 4.949 -1.311 -27.913 1.00 0.00 N ATOM 31 CA GLY A 4 3.552 -1.109 -27.569 1.00 0.00 C ATOM 32 C GLY A 4 3.352 0.221 -26.841 1.00 0.00 C ATOM 33 O GLY A 4 4.319 0.847 -26.408 1.00 0.00 O ATOM 0 H GLY A 4 5.185 -1.096 -28.882 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.945 -1.127 -28.474 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.207 -1.928 -26.938 1.00 0.00 H new ATOM 37 N SER A 5 2.092 0.614 -26.728 1.00 0.00 N ATOM 38 CA SER A 5 1.753 1.859 -26.060 1.00 0.00 C ATOM 39 C SER A 5 2.286 3.046 -26.863 1.00 0.00 C ATOM 40 O SER A 5 3.481 3.124 -27.145 1.00 0.00 O ATOM 41 CB SER A 5 2.311 1.889 -24.635 1.00 0.00 C ATOM 42 OG SER A 5 1.816 2.999 -23.891 1.00 0.00 O ATOM 0 H SER A 5 1.293 0.092 -27.088 1.00 0.00 H new ATOM 0 HA SER A 5 0.667 1.929 -25.998 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.048 0.963 -24.123 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.399 1.934 -24.673 1.00 0.00 H new ATOM 0 HG SER A 5 2.194 2.982 -22.987 1.00 0.00 H new ATOM 48 N SER A 6 1.374 3.942 -27.210 1.00 0.00 N ATOM 49 CA SER A 6 1.737 5.123 -27.976 1.00 0.00 C ATOM 50 C SER A 6 1.667 6.366 -27.087 1.00 0.00 C ATOM 51 O SER A 6 0.664 6.594 -26.412 1.00 0.00 O ATOM 52 CB SER A 6 0.828 5.289 -29.195 1.00 0.00 C ATOM 53 OG SER A 6 1.501 5.923 -30.280 1.00 0.00 O ATOM 0 H SER A 6 0.384 3.874 -26.975 1.00 0.00 H new ATOM 0 HA SER A 6 2.759 4.998 -28.333 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.467 4.311 -29.514 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.047 5.877 -28.918 1.00 0.00 H new ATOM 0 HG SER A 6 0.888 6.009 -31.040 1.00 0.00 H new ATOM 59 N GLY A 7 2.744 7.137 -27.116 1.00 0.00 N ATOM 60 CA GLY A 7 2.816 8.351 -26.321 1.00 0.00 C ATOM 61 C GLY A 7 3.173 8.034 -24.868 1.00 0.00 C ATOM 62 O GLY A 7 2.349 7.506 -24.123 1.00 0.00 O ATOM 0 H GLY A 7 3.574 6.945 -27.677 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.562 9.023 -26.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.859 8.872 -26.359 1.00 0.00 H new ATOM 66 N ASN A 8 4.403 8.370 -24.507 1.00 0.00 N ATOM 67 CA ASN A 8 4.880 8.128 -23.156 1.00 0.00 C ATOM 68 C ASN A 8 4.839 6.626 -22.867 1.00 0.00 C ATOM 69 O ASN A 8 3.771 6.016 -22.885 1.00 0.00 O ATOM 70 CB ASN A 8 3.995 8.832 -22.126 1.00 0.00 C ATOM 71 CG ASN A 8 4.120 10.352 -22.243 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.174 10.915 -23.324 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.164 10.983 -21.073 1.00 0.00 N ATOM 0 H ASN A 8 5.084 8.808 -25.127 1.00 0.00 H new ATOM 0 HA ASN A 8 5.897 8.514 -23.082 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.956 8.537 -22.272 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.278 8.517 -21.122 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.248 11.999 -21.044 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.114 10.451 -20.204 1.00 0.00 H new ATOM 80 N GLN A 9 6.015 6.073 -22.608 1.00 0.00 N ATOM 81 CA GLN A 9 6.127 4.654 -22.315 1.00 0.00 C ATOM 82 C GLN A 9 6.384 4.439 -20.822 1.00 0.00 C ATOM 83 O GLN A 9 6.051 3.388 -20.277 1.00 0.00 O ATOM 84 CB GLN A 9 7.225 4.005 -23.160 1.00 0.00 C ATOM 85 CG GLN A 9 8.542 4.773 -23.030 1.00 0.00 C ATOM 86 CD GLN A 9 9.686 4.019 -23.713 1.00 0.00 C ATOM 87 OE1 GLN A 9 10.020 4.254 -24.862 1.00 0.00 O ATOM 88 NE2 GLN A 9 10.264 3.102 -22.943 1.00 0.00 N ATOM 0 H GLN A 9 6.899 6.582 -22.595 1.00 0.00 H new ATOM 0 HA GLN A 9 5.183 4.174 -22.574 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.369 2.972 -22.844 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.917 3.978 -24.205 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.436 5.762 -23.476 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.778 4.922 -21.976 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.935 2.956 -21.989 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.037 2.544 -23.307 1.00 0.00 H new ATOM 97 N ASN A 10 6.974 5.451 -20.204 1.00 0.00 N ATOM 98 CA ASN A 10 7.280 5.386 -18.785 1.00 0.00 C ATOM 99 C ASN A 10 5.999 5.617 -17.981 1.00 0.00 C ATOM 100 O ASN A 10 5.626 4.790 -17.150 1.00 0.00 O ATOM 101 CB ASN A 10 8.288 6.466 -18.388 1.00 0.00 C ATOM 102 CG ASN A 10 8.544 6.449 -16.880 1.00 0.00 C ATOM 103 OD1 ASN A 10 7.637 6.345 -16.071 1.00 0.00 O ATOM 104 ND2 ASN A 10 9.827 6.558 -16.548 1.00 0.00 N ATOM 0 H ASN A 10 7.249 6.321 -20.660 1.00 0.00 H new ATOM 0 HA ASN A 10 7.704 4.404 -18.576 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.225 6.307 -18.921 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.913 7.445 -18.686 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.101 6.558 -15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.537 6.642 -17.276 1.00 0.00 H new ATOM 111 N GLN A 11 5.361 6.745 -18.256 1.00 0.00 N ATOM 112 CA GLN A 11 4.130 7.095 -17.568 1.00 0.00 C ATOM 113 C GLN A 11 2.931 6.444 -18.261 1.00 0.00 C ATOM 114 O GLN A 11 2.665 6.713 -19.432 1.00 0.00 O ATOM 115 CB GLN A 11 3.959 8.613 -17.488 1.00 0.00 C ATOM 116 CG GLN A 11 4.253 9.124 -16.076 1.00 0.00 C ATOM 117 CD GLN A 11 4.228 10.653 -16.030 1.00 0.00 C ATOM 118 OE1 GLN A 11 3.539 11.312 -16.792 1.00 0.00 O ATOM 119 NE2 GLN A 11 5.015 11.180 -15.097 1.00 0.00 N ATOM 0 H GLN A 11 5.673 7.428 -18.946 1.00 0.00 H new ATOM 0 HA GLN A 11 4.186 6.715 -16.548 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.628 9.096 -18.200 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.942 8.884 -17.772 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.516 8.724 -15.380 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.228 8.763 -15.750 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.566 10.572 -14.491 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.068 12.193 -14.987 1.00 0.00 H new ATOM 128 N THR A 12 2.239 5.600 -17.509 1.00 0.00 N ATOM 129 CA THR A 12 1.075 4.909 -18.037 1.00 0.00 C ATOM 130 C THR A 12 -0.206 5.482 -17.428 1.00 0.00 C ATOM 131 O THR A 12 -0.452 5.328 -16.233 1.00 0.00 O ATOM 132 CB THR A 12 1.256 3.412 -17.776 1.00 0.00 C ATOM 133 OG1 THR A 12 1.781 2.907 -19.001 1.00 0.00 O ATOM 134 CG2 THR A 12 -0.079 2.681 -17.614 1.00 0.00 C ATOM 0 H THR A 12 2.462 5.379 -16.539 1.00 0.00 H new ATOM 0 HA THR A 12 0.980 5.057 -19.113 1.00 0.00 H new ATOM 0 HB THR A 12 1.859 3.270 -16.879 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.930 1.942 -18.920 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.106 1.622 -17.431 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.626 3.105 -16.772 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.669 2.794 -18.524 1.00 0.00 H new ATOM 142 N GLN A 13 -0.989 6.130 -18.279 1.00 0.00 N ATOM 143 CA GLN A 13 -2.239 6.726 -17.839 1.00 0.00 C ATOM 144 C GLN A 13 -3.370 6.359 -18.803 1.00 0.00 C ATOM 145 O GLN A 13 -3.286 6.636 -19.998 1.00 0.00 O ATOM 146 CB GLN A 13 -2.105 8.244 -17.705 1.00 0.00 C ATOM 147 CG GLN A 13 -1.672 8.876 -19.030 1.00 0.00 C ATOM 148 CD GLN A 13 -2.747 9.824 -19.563 1.00 0.00 C ATOM 149 OE1 GLN A 13 -2.813 10.991 -19.211 1.00 0.00 O ATOM 150 NE2 GLN A 13 -3.585 9.260 -20.429 1.00 0.00 N ATOM 0 H GLN A 13 -0.782 6.255 -19.270 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.483 6.327 -16.854 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.057 8.670 -17.389 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.376 8.481 -16.930 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.739 9.421 -18.889 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.476 8.094 -19.763 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.474 8.278 -20.681 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.339 9.810 -20.841 1.00 0.00 H new ATOM 159 N HIS A 14 -4.400 5.740 -18.246 1.00 0.00 N ATOM 160 CA HIS A 14 -5.546 5.331 -19.041 1.00 0.00 C ATOM 161 C HIS A 14 -5.105 4.308 -20.090 1.00 0.00 C ATOM 162 O HIS A 14 -3.935 4.266 -20.467 1.00 0.00 O ATOM 163 CB HIS A 14 -6.243 6.547 -19.655 1.00 0.00 C ATOM 164 CG HIS A 14 -7.749 6.504 -19.562 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.554 6.098 -20.612 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.588 6.819 -18.533 1.00 0.00 C ATOM 167 CE1 HIS A 14 -9.818 6.170 -20.223 1.00 0.00 C ATOM 168 NE2 HIS A 14 -9.837 6.618 -18.934 1.00 0.00 N ATOM 0 H HIS A 14 -4.465 5.512 -17.254 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.283 4.847 -18.400 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.884 7.448 -19.158 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.956 6.626 -20.704 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.287 7.172 -17.558 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.682 5.918 -20.821 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.674 6.773 -18.371 1.00 0.00 H new ATOM 176 N LYS A 15 -6.065 3.509 -20.531 1.00 0.00 N ATOM 177 CA LYS A 15 -5.791 2.490 -21.529 1.00 0.00 C ATOM 178 C LYS A 15 -4.838 1.448 -20.939 1.00 0.00 C ATOM 179 O LYS A 15 -3.953 1.785 -20.154 1.00 0.00 O ATOM 180 CB LYS A 15 -5.279 3.129 -22.821 1.00 0.00 C ATOM 181 CG LYS A 15 -6.441 3.605 -23.695 1.00 0.00 C ATOM 182 CD LYS A 15 -5.980 3.853 -25.133 1.00 0.00 C ATOM 183 CE LYS A 15 -7.150 4.291 -26.016 1.00 0.00 C ATOM 184 NZ LYS A 15 -7.252 5.767 -26.047 1.00 0.00 N ATOM 0 H LYS A 15 -7.034 3.547 -20.215 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.708 1.967 -21.801 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.630 3.972 -22.582 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.675 2.408 -23.373 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.236 2.859 -23.688 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.861 4.522 -23.281 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.205 4.620 -25.143 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.535 2.944 -25.538 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.013 3.909 -27.028 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.079 3.864 -25.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.051 6.047 -26.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.405 6.125 -25.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.372 6.168 -26.430 1.00 0.00 H new ATOM 198 N GLN A 16 -5.052 0.203 -21.339 1.00 0.00 N ATOM 199 CA GLN A 16 -4.223 -0.890 -20.859 1.00 0.00 C ATOM 200 C GLN A 16 -4.599 -1.248 -19.420 1.00 0.00 C ATOM 201 O GLN A 16 -5.032 -2.367 -19.148 1.00 0.00 O ATOM 202 CB GLN A 16 -2.738 -0.540 -20.967 1.00 0.00 C ATOM 203 CG GLN A 16 -2.014 -1.505 -21.908 1.00 0.00 C ATOM 204 CD GLN A 16 -2.153 -1.059 -23.365 1.00 0.00 C ATOM 205 OE1 GLN A 16 -2.340 0.108 -23.668 1.00 0.00 O ATOM 206 NE2 GLN A 16 -2.052 -2.049 -24.247 1.00 0.00 N ATOM 0 H GLN A 16 -5.787 -0.073 -21.990 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.403 -1.761 -21.489 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.627 0.481 -21.332 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.279 -0.577 -19.979 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.959 -1.557 -21.639 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.423 -2.508 -21.791 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.895 -3.004 -23.926 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.131 -1.853 -25.245 1.00 0.00 H new ATOM 215 N ARG A 17 -4.419 -0.278 -18.536 1.00 0.00 N ATOM 216 CA ARG A 17 -4.733 -0.477 -17.131 1.00 0.00 C ATOM 217 C ARG A 17 -4.552 0.829 -16.356 1.00 0.00 C ATOM 218 O ARG A 17 -3.703 1.649 -16.704 1.00 0.00 O ATOM 219 CB ARG A 17 -3.841 -1.556 -16.515 1.00 0.00 C ATOM 220 CG ARG A 17 -2.425 -1.028 -16.279 1.00 0.00 C ATOM 221 CD ARG A 17 -1.409 -2.172 -16.258 1.00 0.00 C ATOM 222 NE ARG A 17 -0.370 -1.945 -17.287 1.00 0.00 N ATOM 223 CZ ARG A 17 0.377 -2.918 -17.827 1.00 0.00 C ATOM 224 NH1 ARG A 17 0.204 -4.189 -17.439 1.00 0.00 N ATOM 225 NH2 ARG A 17 1.296 -2.620 -18.756 1.00 0.00 N ATOM 0 H ARG A 17 -4.060 0.649 -18.765 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.772 -0.800 -17.066 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.270 -1.892 -15.571 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.804 -2.423 -17.175 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.162 -0.318 -17.063 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.388 -0.487 -15.334 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.948 -2.242 -15.273 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.913 -3.121 -16.442 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.213 -0.989 -17.605 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.496 -4.416 -16.733 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.772 -4.930 -17.850 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.427 -1.653 -19.052 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.865 -3.360 -19.167 1.00 0.00 H new ATOM 239 N PRO A 18 -5.384 0.987 -15.292 1.00 0.00 N ATOM 240 CA PRO A 18 -5.323 2.180 -14.464 1.00 0.00 C ATOM 241 C PRO A 18 -4.099 2.149 -13.547 1.00 0.00 C ATOM 242 O PRO A 18 -3.414 1.131 -13.454 1.00 0.00 O ATOM 243 CB PRO A 18 -6.637 2.196 -13.701 1.00 0.00 C ATOM 244 CG PRO A 18 -7.182 0.779 -13.778 1.00 0.00 C ATOM 245 CD PRO A 18 -6.400 0.037 -14.850 1.00 0.00 C ATOM 0 HA PRO A 18 -5.206 3.093 -15.048 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.483 2.499 -12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.336 2.907 -14.141 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.080 0.278 -12.815 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.245 0.791 -14.020 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.947 -0.871 -14.452 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.046 -0.264 -15.675 1.00 0.00 H new ATOM 253 N GLN A 19 -3.862 3.276 -12.892 1.00 0.00 N ATOM 254 CA GLN A 19 -2.732 3.390 -11.985 1.00 0.00 C ATOM 255 C GLN A 19 -2.944 4.557 -11.018 1.00 0.00 C ATOM 256 O GLN A 19 -3.028 5.710 -11.440 1.00 0.00 O ATOM 257 CB GLN A 19 -1.422 3.550 -12.758 1.00 0.00 C ATOM 258 CG GLN A 19 -0.576 2.279 -12.672 1.00 0.00 C ATOM 259 CD GLN A 19 0.915 2.616 -12.598 1.00 0.00 C ATOM 260 OE1 GLN A 19 1.312 3.757 -12.428 1.00 0.00 O ATOM 261 NE2 GLN A 19 1.715 1.563 -12.737 1.00 0.00 N ATOM 0 H GLN A 19 -4.433 4.118 -12.971 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.663 2.470 -11.405 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.637 3.778 -13.802 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.860 4.393 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.866 1.704 -11.793 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.768 1.651 -13.542 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.316 0.635 -12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.727 1.684 -12.704 1.00 0.00 H new ATOM 270 N ALA A 20 -3.026 4.218 -9.740 1.00 0.00 N ATOM 271 CA ALA A 20 -3.226 5.224 -8.710 1.00 0.00 C ATOM 272 C ALA A 20 -4.521 5.988 -8.995 1.00 0.00 C ATOM 273 O ALA A 20 -5.184 5.740 -10.001 1.00 0.00 O ATOM 274 CB ALA A 20 -2.006 6.145 -8.652 1.00 0.00 C ATOM 0 H ALA A 20 -2.958 3.261 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.328 4.756 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.156 6.899 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.118 5.558 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.874 6.635 -9.617 1.00 0.00 H new ATOM 280 N THR A 21 -4.842 6.901 -8.091 1.00 0.00 N ATOM 281 CA THR A 21 -6.045 7.703 -8.232 1.00 0.00 C ATOM 282 C THR A 21 -7.289 6.814 -8.174 1.00 0.00 C ATOM 283 O THR A 21 -7.938 6.716 -7.134 1.00 0.00 O ATOM 284 CB THR A 21 -5.931 8.503 -9.531 1.00 0.00 C ATOM 285 OG1 THR A 21 -4.830 9.379 -9.304 1.00 0.00 O ATOM 286 CG2 THR A 21 -7.117 9.445 -9.746 1.00 0.00 C ATOM 0 H THR A 21 -4.290 7.103 -7.258 1.00 0.00 H new ATOM 0 HA THR A 21 -6.149 8.408 -7.407 1.00 0.00 H new ATOM 0 HB THR A 21 -5.856 7.816 -10.374 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.685 9.934 -10.098 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.985 9.988 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.039 8.865 -9.790 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.173 10.154 -8.920 1.00 0.00 H new ATOM 294 N ALA A 22 -7.583 6.188 -9.305 1.00 0.00 N ATOM 295 CA ALA A 22 -8.737 5.310 -9.396 1.00 0.00 C ATOM 296 C ALA A 22 -8.372 3.936 -8.831 1.00 0.00 C ATOM 297 O ALA A 22 -9.159 3.331 -8.104 1.00 0.00 O ATOM 298 CB ALA A 22 -9.210 5.237 -10.849 1.00 0.00 C ATOM 0 H ALA A 22 -7.042 6.272 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.565 5.701 -8.804 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.076 4.578 -10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.485 6.234 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.407 4.846 -11.474 1.00 0.00 H new ATOM 304 N GLU A 23 -7.179 3.482 -9.187 1.00 0.00 N ATOM 305 CA GLU A 23 -6.701 2.191 -8.725 1.00 0.00 C ATOM 306 C GLU A 23 -6.791 2.106 -7.200 1.00 0.00 C ATOM 307 O GLU A 23 -7.439 1.209 -6.662 1.00 0.00 O ATOM 308 CB GLU A 23 -5.272 1.932 -9.205 1.00 0.00 C ATOM 309 CG GLU A 23 -5.001 0.431 -9.336 1.00 0.00 C ATOM 310 CD GLU A 23 -3.676 0.175 -10.057 1.00 0.00 C ATOM 311 OE1 GLU A 23 -2.690 0.849 -9.689 1.00 0.00 O ATOM 312 OE2 GLU A 23 -3.679 -0.690 -10.959 1.00 0.00 O ATOM 0 H GLU A 23 -6.529 3.986 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.338 1.416 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.114 2.419 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.563 2.373 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.975 -0.025 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.815 -0.043 -9.884 1.00 0.00 H new ATOM 319 N GLN A 24 -6.131 3.051 -6.547 1.00 0.00 N ATOM 320 CA GLN A 24 -6.129 3.094 -5.094 1.00 0.00 C ATOM 321 C GLN A 24 -7.538 2.841 -4.553 1.00 0.00 C ATOM 322 O GLN A 24 -7.735 1.969 -3.709 1.00 0.00 O ATOM 323 CB GLN A 24 -5.578 4.428 -4.587 1.00 0.00 C ATOM 324 CG GLN A 24 -5.153 4.323 -3.120 1.00 0.00 C ATOM 325 CD GLN A 24 -6.127 5.077 -2.212 1.00 0.00 C ATOM 326 OE1 GLN A 24 -5.905 6.212 -1.826 1.00 0.00 O ATOM 327 NE2 GLN A 24 -7.216 4.383 -1.894 1.00 0.00 N ATOM 0 H GLN A 24 -5.594 3.793 -6.997 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.474 2.304 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.725 4.729 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.336 5.204 -4.695 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.111 3.275 -2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.149 4.729 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.340 3.436 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.927 4.798 -1.292 1.00 0.00 H new ATOM 336 N ILE A 25 -8.481 3.620 -5.062 1.00 0.00 N ATOM 337 CA ILE A 25 -9.866 3.491 -4.640 1.00 0.00 C ATOM 338 C ILE A 25 -10.240 2.009 -4.579 1.00 0.00 C ATOM 339 O ILE A 25 -10.573 1.493 -3.513 1.00 0.00 O ATOM 340 CB ILE A 25 -10.780 4.319 -5.545 1.00 0.00 C ATOM 341 CG1 ILE A 25 -10.483 5.814 -5.406 1.00 0.00 C ATOM 342 CG2 ILE A 25 -12.252 4.001 -5.275 1.00 0.00 C ATOM 343 CD1 ILE A 25 -11.173 6.616 -6.511 1.00 0.00 C ATOM 0 H ILE A 25 -8.314 4.342 -5.762 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.998 3.895 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.575 4.045 -6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.821 6.166 -4.431 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.407 5.980 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.881 4.603 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.437 2.944 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.489 4.230 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.945 7.675 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.815 6.278 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -12.251 6.467 -6.450 1.00 0.00 H new ATOM 355 N ARG A 26 -10.172 1.366 -5.735 1.00 0.00 N ATOM 356 CA ARG A 26 -10.500 -0.047 -5.827 1.00 0.00 C ATOM 357 C ARG A 26 -9.619 -0.858 -4.875 1.00 0.00 C ATOM 358 O ARG A 26 -10.104 -1.752 -4.184 1.00 0.00 O ATOM 359 CB ARG A 26 -10.310 -0.565 -7.253 1.00 0.00 C ATOM 360 CG ARG A 26 -11.437 -0.080 -8.168 1.00 0.00 C ATOM 361 CD ARG A 26 -12.072 -1.248 -8.923 1.00 0.00 C ATOM 362 NE ARG A 26 -13.448 -0.895 -9.338 1.00 0.00 N ATOM 363 CZ ARG A 26 -14.526 -1.024 -8.552 1.00 0.00 C ATOM 364 NH1 ARG A 26 -14.394 -1.499 -7.306 1.00 0.00 N ATOM 365 NH2 ARG A 26 -15.736 -0.678 -9.012 1.00 0.00 N ATOM 0 H ARG A 26 -9.894 1.797 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.547 -0.164 -5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.350 -0.226 -7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.285 -1.655 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.196 0.431 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.045 0.647 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.472 -1.495 -9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.091 -2.134 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.585 -0.531 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.473 -1.762 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.214 -1.597 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.837 -0.316 -9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.556 -0.776 -8.414 1.00 0.00 H new ATOM 379 N LEU A 27 -8.338 -0.517 -4.870 1.00 0.00 N ATOM 380 CA LEU A 27 -7.385 -1.203 -4.014 1.00 0.00 C ATOM 381 C LEU A 27 -7.919 -1.229 -2.581 1.00 0.00 C ATOM 382 O LEU A 27 -8.172 -2.299 -2.028 1.00 0.00 O ATOM 383 CB LEU A 27 -5.998 -0.570 -4.142 1.00 0.00 C ATOM 384 CG LEU A 27 -5.293 -0.764 -5.486 1.00 0.00 C ATOM 385 CD1 LEU A 27 -3.784 -0.549 -5.351 1.00 0.00 C ATOM 386 CD2 LEU A 27 -5.626 -2.132 -6.087 1.00 0.00 C ATOM 0 H LEU A 27 -7.938 0.225 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.268 -2.240 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.090 0.500 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.361 -0.978 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.664 -0.009 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.308 -0.693 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.591 0.464 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.377 -1.265 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.112 -2.245 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.301 -2.918 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.702 -2.209 -6.243 1.00 0.00 H new ATOM 398 N ALA A 28 -8.075 -0.040 -2.020 1.00 0.00 N ATOM 399 CA ALA A 28 -8.574 0.088 -0.661 1.00 0.00 C ATOM 400 C ALA A 28 -9.902 -0.662 -0.539 1.00 0.00 C ATOM 401 O ALA A 28 -10.209 -1.221 0.514 1.00 0.00 O ATOM 402 CB ALA A 28 -8.706 1.569 -0.302 1.00 0.00 C ATOM 0 H ALA A 28 -7.865 0.845 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.876 -0.357 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.080 1.664 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.731 2.050 -0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.401 2.050 -0.990 1.00 0.00 H new ATOM 408 N GLN A 29 -10.655 -0.651 -1.629 1.00 0.00 N ATOM 409 CA GLN A 29 -11.943 -1.322 -1.657 1.00 0.00 C ATOM 410 C GLN A 29 -11.750 -2.840 -1.639 1.00 0.00 C ATOM 411 O GLN A 29 -12.555 -3.565 -1.056 1.00 0.00 O ATOM 412 CB GLN A 29 -12.762 -0.888 -2.874 1.00 0.00 C ATOM 413 CG GLN A 29 -13.904 -1.869 -3.144 1.00 0.00 C ATOM 414 CD GLN A 29 -15.189 -1.126 -3.518 1.00 0.00 C ATOM 415 OE1 GLN A 29 -15.291 0.085 -3.403 1.00 0.00 O ATOM 416 NE2 GLN A 29 -16.159 -1.916 -3.968 1.00 0.00 N ATOM 0 H GLN A 29 -10.397 -0.187 -2.500 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.500 -1.035 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.167 0.110 -2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.115 -0.827 -3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.623 -2.546 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.078 -2.482 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.006 -2.922 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.056 -1.516 -4.242 1.00 0.00 H new ATOM 425 N MET A 30 -10.679 -3.276 -2.284 1.00 0.00 N ATOM 426 CA MET A 30 -10.370 -4.695 -2.350 1.00 0.00 C ATOM 427 C MET A 30 -9.646 -5.157 -1.084 1.00 0.00 C ATOM 428 O MET A 30 -9.903 -6.251 -0.582 1.00 0.00 O ATOM 429 CB MET A 30 -9.490 -4.970 -3.571 1.00 0.00 C ATOM 430 CG MET A 30 -10.223 -4.617 -4.866 1.00 0.00 C ATOM 431 SD MET A 30 -10.139 -5.986 -6.008 1.00 0.00 S ATOM 432 CE MET A 30 -8.532 -5.691 -6.727 1.00 0.00 C ATOM 0 H MET A 30 -10.013 -2.672 -2.766 1.00 0.00 H new ATOM 0 HA MET A 30 -11.305 -5.248 -2.434 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.571 -4.389 -3.499 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.202 -6.021 -3.587 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.264 -4.376 -4.650 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.777 -3.730 -5.316 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.318 -6.461 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.522 -4.712 -7.207 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.773 -5.719 -5.945 1.00 0.00 H new ATOM 442 N ILE A 31 -8.756 -4.302 -0.603 1.00 0.00 N ATOM 443 CA ILE A 31 -7.994 -4.609 0.595 1.00 0.00 C ATOM 444 C ILE A 31 -8.955 -4.825 1.765 1.00 0.00 C ATOM 445 O ILE A 31 -8.792 -5.764 2.542 1.00 0.00 O ATOM 446 CB ILE A 31 -6.943 -3.528 0.853 1.00 0.00 C ATOM 447 CG1 ILE A 31 -5.734 -3.706 -0.067 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.540 -3.496 2.329 1.00 0.00 C ATOM 449 CD1 ILE A 31 -5.399 -2.401 -0.793 1.00 0.00 C ATOM 0 H ILE A 31 -8.545 -3.396 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.437 -5.537 0.465 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.385 -2.560 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.873 -4.032 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.940 -4.489 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.792 -2.719 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.417 -3.284 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.124 -4.462 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.536 -2.556 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.253 -2.090 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.170 -1.626 -0.061 1.00 0.00 H new ATOM 461 N SER A 32 -9.936 -3.939 1.854 1.00 0.00 N ATOM 462 CA SER A 32 -10.924 -4.020 2.916 1.00 0.00 C ATOM 463 C SER A 32 -11.535 -5.422 2.956 1.00 0.00 C ATOM 464 O SER A 32 -11.526 -6.077 3.998 1.00 0.00 O ATOM 465 CB SER A 32 -12.020 -2.969 2.731 1.00 0.00 C ATOM 466 OG SER A 32 -12.404 -2.374 3.967 1.00 0.00 O ATOM 0 H SER A 32 -10.068 -3.161 1.208 1.00 0.00 H new ATOM 0 HA SER A 32 -10.424 -3.821 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.668 -2.194 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.890 -3.431 2.265 1.00 0.00 H new ATOM 0 HG SER A 32 -13.104 -1.708 3.806 1.00 0.00 H new ATOM 472 N ASP A 33 -12.051 -5.841 1.810 1.00 0.00 N ATOM 473 CA ASP A 33 -12.665 -7.154 1.702 1.00 0.00 C ATOM 474 C ASP A 33 -11.806 -8.177 2.447 1.00 0.00 C ATOM 475 O ASP A 33 -12.316 -8.944 3.262 1.00 0.00 O ATOM 476 CB ASP A 33 -12.765 -7.596 0.240 1.00 0.00 C ATOM 477 CG ASP A 33 -13.685 -8.792 -0.012 1.00 0.00 C ATOM 478 OD1 ASP A 33 -14.664 -8.926 0.753 1.00 0.00 O ATOM 479 OD2 ASP A 33 -13.389 -9.545 -0.965 1.00 0.00 O ATOM 0 H ASP A 33 -12.057 -5.295 0.948 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.665 -7.095 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.118 -6.754 -0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.766 -7.843 -0.118 1.00 0.00 H new ATOM 484 N HIS A 34 -10.517 -8.155 2.142 1.00 0.00 N ATOM 485 CA HIS A 34 -9.583 -9.072 2.773 1.00 0.00 C ATOM 486 C HIS A 34 -9.381 -8.672 4.236 1.00 0.00 C ATOM 487 O HIS A 34 -9.921 -9.310 5.138 1.00 0.00 O ATOM 488 CB HIS A 34 -8.270 -9.135 1.989 1.00 0.00 C ATOM 489 CG HIS A 34 -8.386 -9.828 0.652 1.00 0.00 C ATOM 490 ND1 HIS A 34 -7.749 -11.024 0.371 1.00 0.00 N ATOM 491 CD2 HIS A 34 -9.072 -9.482 -0.475 1.00 0.00 C ATOM 492 CE1 HIS A 34 -8.044 -11.372 -0.873 1.00 0.00 C ATOM 493 NE2 HIS A 34 -8.863 -10.415 -1.396 1.00 0.00 N ATOM 0 H HIS A 34 -10.097 -7.517 1.466 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.994 -10.081 2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.904 -8.120 1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.523 -9.652 2.591 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.682 -8.599 -0.597 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.697 -12.258 -1.383 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.251 -10.416 -2.339 1.00 0.00 H new ATOM 501 N ASN A 35 -8.601 -7.618 4.426 1.00 0.00 N ATOM 502 CA ASN A 35 -8.322 -7.125 5.764 1.00 0.00 C ATOM 503 C ASN A 35 -7.786 -8.272 6.623 1.00 0.00 C ATOM 504 O ASN A 35 -8.555 -8.971 7.281 1.00 0.00 O ATOM 505 CB ASN A 35 -9.590 -6.588 6.430 1.00 0.00 C ATOM 506 CG ASN A 35 -9.625 -5.059 6.390 1.00 0.00 C ATOM 507 OD1 ASN A 35 -8.646 -4.383 6.658 1.00 0.00 O ATOM 508 ND2 ASN A 35 -10.805 -4.554 6.040 1.00 0.00 N ATOM 0 H ASN A 35 -8.153 -7.092 3.676 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.591 -6.321 5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.468 -6.989 5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.634 -6.929 7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.931 -3.543 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.584 -5.177 5.828 1.00 0.00 H new ATOM 515 N ASP A 36 -6.471 -8.431 6.589 1.00 0.00 N ATOM 516 CA ASP A 36 -5.823 -9.481 7.356 1.00 0.00 C ATOM 517 C ASP A 36 -5.599 -8.995 8.790 1.00 0.00 C ATOM 518 O ASP A 36 -5.543 -7.791 9.039 1.00 0.00 O ATOM 519 CB ASP A 36 -4.461 -9.839 6.759 1.00 0.00 C ATOM 520 CG ASP A 36 -4.045 -11.302 6.929 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.660 -11.971 7.788 1.00 0.00 O ATOM 522 OD2 ASP A 36 -3.122 -11.718 6.197 1.00 0.00 O ATOM 0 H ASP A 36 -5.836 -7.850 6.042 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.467 -10.360 7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.474 -9.602 5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.702 -9.205 7.218 1.00 0.00 H new ATOM 527 N ALA A 37 -5.475 -9.955 9.694 1.00 0.00 N ATOM 528 CA ALA A 37 -5.258 -9.640 11.095 1.00 0.00 C ATOM 529 C ALA A 37 -3.945 -8.867 11.242 1.00 0.00 C ATOM 530 O ALA A 37 -3.902 -7.829 11.902 1.00 0.00 O ATOM 531 CB ALA A 37 -5.269 -10.930 11.917 1.00 0.00 C ATOM 0 H ALA A 37 -5.521 -10.952 9.483 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.059 -9.005 11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.106 -10.693 12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.233 -11.426 11.802 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.476 -11.591 11.567 1.00 0.00 H new ATOM 537 N ASP A 38 -2.907 -9.401 10.616 1.00 0.00 N ATOM 538 CA ASP A 38 -1.598 -8.775 10.668 1.00 0.00 C ATOM 539 C ASP A 38 -1.726 -7.301 10.278 1.00 0.00 C ATOM 540 O ASP A 38 -1.515 -6.415 11.105 1.00 0.00 O ATOM 541 CB ASP A 38 -0.629 -9.440 9.688 1.00 0.00 C ATOM 542 CG ASP A 38 -0.441 -10.945 9.887 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.927 -11.446 10.924 1.00 0.00 O ATOM 544 OD2 ASP A 38 0.185 -11.561 8.997 1.00 0.00 O ATOM 0 H ASP A 38 -2.947 -10.261 10.070 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.214 -8.881 11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.985 -9.264 8.673 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.342 -8.953 9.774 1.00 0.00 H new ATOM 549 N PHE A 39 -2.072 -7.083 9.018 1.00 0.00 N ATOM 550 CA PHE A 39 -2.232 -5.732 8.508 1.00 0.00 C ATOM 551 C PHE A 39 -3.256 -4.951 9.335 1.00 0.00 C ATOM 552 O PHE A 39 -3.086 -3.757 9.572 1.00 0.00 O ATOM 553 CB PHE A 39 -2.740 -5.853 7.070 1.00 0.00 C ATOM 554 CG PHE A 39 -2.857 -4.516 6.337 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.798 -4.029 5.636 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.021 -3.813 6.386 1.00 0.00 C ATOM 557 CE1 PHE A 39 -1.907 -2.788 4.955 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.130 -2.572 5.705 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.071 -2.085 5.004 1.00 0.00 C ATOM 0 H PHE A 39 -2.246 -7.820 8.335 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.282 -5.200 8.560 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.067 -6.504 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.717 -6.337 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.874 -4.587 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.862 -4.199 6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.066 -2.402 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.054 -2.014 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.154 -1.141 4.486 1.00 0.00 H new ATOM 569 N GLU A 40 -4.297 -5.659 9.749 1.00 0.00 N ATOM 570 CA GLU A 40 -5.348 -5.047 10.544 1.00 0.00 C ATOM 571 C GLU A 40 -4.761 -4.424 11.812 1.00 0.00 C ATOM 572 O GLU A 40 -4.921 -3.228 12.051 1.00 0.00 O ATOM 573 CB GLU A 40 -6.438 -6.065 10.888 1.00 0.00 C ATOM 574 CG GLU A 40 -7.463 -6.173 9.758 1.00 0.00 C ATOM 575 CD GLU A 40 -8.681 -5.289 10.036 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.122 -5.283 11.206 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.143 -4.640 9.073 1.00 0.00 O ATOM 0 H GLU A 40 -4.435 -6.650 9.549 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.809 -4.255 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.986 -7.040 11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.938 -5.770 11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.003 -5.878 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.780 -7.210 9.647 1.00 0.00 H new ATOM 584 N GLU A 41 -4.093 -5.262 12.590 1.00 0.00 N ATOM 585 CA GLU A 41 -3.481 -4.808 13.828 1.00 0.00 C ATOM 586 C GLU A 41 -2.582 -3.598 13.562 1.00 0.00 C ATOM 587 O GLU A 41 -2.591 -2.634 14.326 1.00 0.00 O ATOM 588 CB GLU A 41 -2.696 -5.937 14.498 1.00 0.00 C ATOM 589 CG GLU A 41 -3.311 -6.304 15.850 1.00 0.00 C ATOM 590 CD GLU A 41 -2.227 -6.673 16.864 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.385 -5.792 17.142 1.00 0.00 O ATOM 592 OE2 GLU A 41 -2.263 -7.829 17.339 1.00 0.00 O ATOM 0 H GLU A 41 -3.962 -6.253 12.388 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.273 -4.505 14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.686 -6.813 13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.659 -5.631 14.637 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.896 -5.465 16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.998 -7.141 15.726 1.00 0.00 H new ATOM 599 N LYS A 42 -1.826 -3.689 12.478 1.00 0.00 N ATOM 600 CA LYS A 42 -0.923 -2.615 12.102 1.00 0.00 C ATOM 601 C LYS A 42 -1.733 -1.346 11.828 1.00 0.00 C ATOM 602 O LYS A 42 -1.453 -0.292 12.396 1.00 0.00 O ATOM 603 CB LYS A 42 -0.037 -3.044 10.931 1.00 0.00 C ATOM 604 CG LYS A 42 0.964 -4.117 11.365 1.00 0.00 C ATOM 605 CD LYS A 42 2.244 -4.042 10.531 1.00 0.00 C ATOM 606 CE LYS A 42 3.224 -5.148 10.929 1.00 0.00 C ATOM 607 NZ LYS A 42 4.527 -4.952 10.256 1.00 0.00 N ATOM 0 H LYS A 42 -1.820 -4.491 11.848 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.240 -2.388 12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.658 -3.427 10.122 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.498 -2.179 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.205 -3.989 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.514 -5.104 11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.999 -4.132 9.473 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.714 -3.068 10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.363 -5.148 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.812 -6.121 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.089 -5.824 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.369 -4.722 9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.040 -4.172 10.714 1.00 0.00 H new ATOM 621 N VAL A 43 -2.721 -1.490 10.958 1.00 0.00 N ATOM 622 CA VAL A 43 -3.574 -0.369 10.601 1.00 0.00 C ATOM 623 C VAL A 43 -3.996 0.370 11.873 1.00 0.00 C ATOM 624 O VAL A 43 -3.906 1.594 11.943 1.00 0.00 O ATOM 625 CB VAL A 43 -4.763 -0.858 9.772 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.899 0.166 9.784 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.335 -1.185 8.340 1.00 0.00 C ATOM 0 H VAL A 43 -2.950 -2.366 10.489 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.030 0.340 9.977 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.135 -1.775 10.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.731 -0.207 9.187 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.232 0.328 10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.545 1.107 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.199 -1.530 7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.925 -0.291 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.576 -1.967 8.357 1.00 0.00 H new ATOM 637 N LYS A 44 -4.447 -0.406 12.848 1.00 0.00 N ATOM 638 CA LYS A 44 -4.883 0.159 14.113 1.00 0.00 C ATOM 639 C LYS A 44 -3.709 0.882 14.776 1.00 0.00 C ATOM 640 O LYS A 44 -3.825 2.047 15.151 1.00 0.00 O ATOM 641 CB LYS A 44 -5.516 -0.921 14.993 1.00 0.00 C ATOM 642 CG LYS A 44 -7.012 -1.057 14.703 1.00 0.00 C ATOM 643 CD LYS A 44 -7.629 -2.193 15.523 1.00 0.00 C ATOM 644 CE LYS A 44 -7.948 -1.730 16.946 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.410 -1.585 17.128 1.00 0.00 N ATOM 0 H LYS A 44 -4.520 -1.422 12.787 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.664 0.902 13.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.020 -1.875 14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.367 -0.673 16.044 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.518 -0.120 14.935 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.164 -1.246 13.640 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.540 -2.544 15.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.941 -3.037 15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.555 -2.449 17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.455 -0.779 17.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.609 -1.270 18.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.776 -0.882 16.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.873 -2.501 16.959 1.00 0.00 H new ATOM 659 N GLN A 45 -2.605 0.159 14.899 1.00 0.00 N ATOM 660 CA GLN A 45 -1.410 0.717 15.510 1.00 0.00 C ATOM 661 C GLN A 45 -1.083 2.077 14.891 1.00 0.00 C ATOM 662 O GLN A 45 -0.677 3.002 15.593 1.00 0.00 O ATOM 663 CB GLN A 45 -0.228 -0.244 15.379 1.00 0.00 C ATOM 664 CG GLN A 45 0.077 -0.924 16.716 1.00 0.00 C ATOM 665 CD GLN A 45 0.961 -0.036 17.594 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.172 0.013 17.452 1.00 0.00 O ATOM 667 NE2 GLN A 45 0.291 0.663 18.506 1.00 0.00 N ATOM 0 H GLN A 45 -2.513 -0.807 14.586 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.602 0.861 16.573 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.451 -0.999 14.625 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.651 0.300 15.035 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.855 -1.144 17.237 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.575 -1.877 16.538 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.723 0.576 18.572 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.791 1.286 19.140 1.00 0.00 H new ATOM 676 N LEU A 46 -1.271 2.156 13.581 1.00 0.00 N ATOM 677 CA LEU A 46 -1.001 3.387 12.859 1.00 0.00 C ATOM 678 C LEU A 46 -1.927 4.490 13.375 1.00 0.00 C ATOM 679 O LEU A 46 -1.464 5.492 13.918 1.00 0.00 O ATOM 680 CB LEU A 46 -1.100 3.156 11.350 1.00 0.00 C ATOM 681 CG LEU A 46 0.115 2.502 10.690 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.299 1.688 9.463 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.183 3.545 10.352 1.00 0.00 C ATOM 0 H LEU A 46 -1.607 1.387 13.002 1.00 0.00 H new ATOM 0 HA LEU A 46 0.021 3.719 13.041 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.973 2.534 11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.278 4.117 10.866 1.00 0.00 H new ATOM 0 HG LEU A 46 0.558 1.807 11.403 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.584 1.234 9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.996 0.906 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.780 2.343 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.036 3.054 9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.767 4.282 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.508 4.043 11.266 1.00 0.00 H new ATOM 695 N ILE A 47 -3.220 4.268 13.188 1.00 0.00 N ATOM 696 CA ILE A 47 -4.216 5.231 13.627 1.00 0.00 C ATOM 697 C ILE A 47 -3.895 5.674 15.056 1.00 0.00 C ATOM 698 O ILE A 47 -4.192 6.804 15.441 1.00 0.00 O ATOM 699 CB ILE A 47 -5.625 4.657 13.464 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.069 4.702 12.000 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.617 5.367 14.386 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.051 3.571 11.690 1.00 0.00 C ATOM 0 H ILE A 47 -3.601 3.435 12.738 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.185 6.123 13.001 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.603 3.609 13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.537 5.663 11.788 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.198 4.621 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.610 4.940 14.250 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.306 5.239 15.423 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.643 6.429 14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.351 3.626 10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.572 2.611 11.880 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.931 3.669 12.325 1.00 0.00 H new ATOM 714 N ASP A 48 -3.291 4.761 15.803 1.00 0.00 N ATOM 715 CA ASP A 48 -2.927 5.044 17.181 1.00 0.00 C ATOM 716 C ASP A 48 -1.608 5.820 17.206 1.00 0.00 C ATOM 717 O ASP A 48 -1.426 6.714 18.031 1.00 0.00 O ATOM 718 CB ASP A 48 -2.729 3.751 17.975 1.00 0.00 C ATOM 719 CG ASP A 48 -3.692 3.559 19.148 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.763 4.202 19.114 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.334 2.774 20.053 1.00 0.00 O ATOM 0 H ASP A 48 -3.045 3.825 15.480 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.733 5.624 17.631 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.835 2.905 17.296 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.708 3.729 18.355 1.00 0.00 H new ATOM 726 N ILE A 49 -0.724 5.451 16.292 1.00 0.00 N ATOM 727 CA ILE A 49 0.572 6.101 16.198 1.00 0.00 C ATOM 728 C ILE A 49 0.419 7.431 15.457 1.00 0.00 C ATOM 729 O ILE A 49 0.501 8.497 16.064 1.00 0.00 O ATOM 730 CB ILE A 49 1.600 5.160 15.567 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.752 3.881 16.392 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.939 5.871 15.359 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.989 2.670 15.487 1.00 0.00 C ATOM 0 H ILE A 49 -0.879 4.709 15.609 1.00 0.00 H new ATOM 0 HA ILE A 49 0.954 6.332 17.192 1.00 0.00 H new ATOM 0 HB ILE A 49 1.235 4.866 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.585 3.989 17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.856 3.722 16.991 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.652 5.180 14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.798 6.727 14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.322 6.213 16.320 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.094 1.774 16.098 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.143 2.551 14.810 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.899 2.822 14.907 1.00 0.00 H new ATOM 745 N THR A 50 0.198 7.323 14.155 1.00 0.00 N ATOM 746 CA THR A 50 0.032 8.504 13.324 1.00 0.00 C ATOM 747 C THR A 50 -1.106 9.376 13.858 1.00 0.00 C ATOM 748 O THR A 50 -0.867 10.334 14.591 1.00 0.00 O ATOM 749 CB THR A 50 -0.183 8.041 11.882 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.721 6.728 12.015 1.00 0.00 O ATOM 751 CG2 THR A 50 1.135 7.829 11.132 1.00 0.00 C ATOM 0 H THR A 50 0.130 6.436 13.655 1.00 0.00 H new ATOM 0 HA THR A 50 0.921 9.134 13.349 1.00 0.00 H new ATOM 0 HB THR A 50 -0.789 8.776 11.352 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.345 6.705 12.770 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.926 7.501 10.114 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.692 8.765 11.104 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.727 7.070 11.643 1.00 0.00 H new ATOM 759 N GLY A 51 -2.319 9.013 13.469 1.00 0.00 N ATOM 760 CA GLY A 51 -3.495 9.750 13.899 1.00 0.00 C ATOM 761 C GLY A 51 -4.433 10.022 12.722 1.00 0.00 C ATOM 762 O GLY A 51 -5.556 10.486 12.912 1.00 0.00 O ATOM 0 H GLY A 51 -2.513 8.218 12.860 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.023 9.183 14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.191 10.694 14.352 1.00 0.00 H new ATOM 766 N LYS A 52 -3.937 9.722 11.530 1.00 0.00 N ATOM 767 CA LYS A 52 -4.717 9.929 10.321 1.00 0.00 C ATOM 768 C LYS A 52 -5.927 8.992 10.334 1.00 0.00 C ATOM 769 O LYS A 52 -6.214 8.356 11.347 1.00 0.00 O ATOM 770 CB LYS A 52 -3.834 9.775 9.081 1.00 0.00 C ATOM 771 CG LYS A 52 -2.670 10.768 9.111 1.00 0.00 C ATOM 772 CD LYS A 52 -3.041 12.070 8.398 1.00 0.00 C ATOM 773 CE LYS A 52 -1.789 12.817 7.934 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.751 12.897 6.457 1.00 0.00 N ATOM 0 H LYS A 52 -3.005 9.337 11.376 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.102 10.948 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.447 8.757 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.431 9.935 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.395 10.981 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.796 10.324 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.677 11.851 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.619 12.704 9.070 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.779 13.821 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.898 12.307 8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.895 13.407 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.739 11.937 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.592 13.404 6.115 1.00 0.00 H new ATOM 788 N ASN A 53 -6.605 8.938 9.197 1.00 0.00 N ATOM 789 CA ASN A 53 -7.778 8.090 9.065 1.00 0.00 C ATOM 790 C ASN A 53 -7.339 6.678 8.674 1.00 0.00 C ATOM 791 O ASN A 53 -6.232 6.484 8.174 1.00 0.00 O ATOM 792 CB ASN A 53 -8.715 8.613 7.974 1.00 0.00 C ATOM 793 CG ASN A 53 -9.580 9.761 8.499 1.00 0.00 C ATOM 794 OD1 ASN A 53 -10.267 9.647 9.501 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.509 10.869 7.768 1.00 0.00 N ATOM 0 H ASN A 53 -6.365 9.467 8.359 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.302 8.088 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.130 8.955 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.354 7.804 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.050 11.692 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.914 10.897 6.940 1.00 0.00 H new ATOM 802 N GLN A 54 -8.230 5.728 8.916 1.00 0.00 N ATOM 803 CA GLN A 54 -7.949 4.339 8.595 1.00 0.00 C ATOM 804 C GLN A 54 -7.629 4.192 7.106 1.00 0.00 C ATOM 805 O GLN A 54 -6.529 3.779 6.741 1.00 0.00 O ATOM 806 CB GLN A 54 -9.117 3.436 8.996 1.00 0.00 C ATOM 807 CG GLN A 54 -8.677 1.973 9.076 1.00 0.00 C ATOM 808 CD GLN A 54 -9.815 1.085 9.583 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.853 1.552 10.023 1.00 0.00 O ATOM 810 NE2 GLN A 54 -9.564 -0.219 9.498 1.00 0.00 N ATOM 0 H GLN A 54 -9.147 5.893 9.331 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.076 4.024 9.167 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.512 3.754 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.925 3.537 8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.356 1.632 8.092 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.818 1.884 9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.674 -0.543 9.119 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.261 -0.894 9.811 1.00 0.00 H new ATOM 819 N ASP A 55 -8.610 4.538 6.286 1.00 0.00 N ATOM 820 CA ASP A 55 -8.447 4.449 4.844 1.00 0.00 C ATOM 821 C ASP A 55 -7.040 4.916 4.466 1.00 0.00 C ATOM 822 O ASP A 55 -6.344 4.245 3.705 1.00 0.00 O ATOM 823 CB ASP A 55 -9.453 5.346 4.120 1.00 0.00 C ATOM 824 CG ASP A 55 -10.865 5.341 4.710 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.004 5.826 5.853 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.773 4.853 4.003 1.00 0.00 O ATOM 0 H ASP A 55 -9.521 4.881 6.592 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.610 3.413 4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.076 6.369 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.510 5.034 3.077 1.00 0.00 H new ATOM 831 N GLU A 56 -6.663 6.062 5.014 1.00 0.00 N ATOM 832 CA GLU A 56 -5.352 6.625 4.743 1.00 0.00 C ATOM 833 C GLU A 56 -4.255 5.686 5.250 1.00 0.00 C ATOM 834 O GLU A 56 -3.346 5.327 4.503 1.00 0.00 O ATOM 835 CB GLU A 56 -5.213 8.016 5.365 1.00 0.00 C ATOM 836 CG GLU A 56 -6.258 8.978 4.795 1.00 0.00 C ATOM 837 CD GLU A 56 -5.606 10.010 3.871 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.143 11.039 4.408 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.587 9.745 2.650 1.00 0.00 O ATOM 0 H GLU A 56 -7.243 6.616 5.644 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.241 6.733 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.328 7.948 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.213 8.405 5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.013 8.416 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.772 9.487 5.610 1.00 0.00 H new ATOM 846 N CYS A 57 -4.377 5.315 6.516 1.00 0.00 N ATOM 847 CA CYS A 57 -3.408 4.425 7.131 1.00 0.00 C ATOM 848 C CYS A 57 -3.310 3.158 6.279 1.00 0.00 C ATOM 849 O CYS A 57 -2.213 2.705 5.957 1.00 0.00 O ATOM 850 CB CYS A 57 -3.772 4.109 8.583 1.00 0.00 C ATOM 851 SG CYS A 57 -3.474 5.576 9.637 1.00 0.00 S ATOM 0 H CYS A 57 -5.132 5.615 7.132 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.434 4.913 7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.819 3.811 8.648 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.178 3.268 8.940 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.422 6.445 9.449 1.00 0.00 H new ATOM 857 N VAL A 58 -4.473 2.621 5.938 1.00 0.00 N ATOM 858 CA VAL A 58 -4.532 1.415 5.130 1.00 0.00 C ATOM 859 C VAL A 58 -3.762 1.642 3.827 1.00 0.00 C ATOM 860 O VAL A 58 -2.931 0.821 3.442 1.00 0.00 O ATOM 861 CB VAL A 58 -5.989 1.010 4.901 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.081 -0.212 3.984 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.702 0.753 6.230 1.00 0.00 C ATOM 0 H VAL A 58 -5.381 2.999 6.207 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.055 0.583 5.649 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.493 1.840 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.128 -0.479 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.628 0.021 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.553 -1.050 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.736 0.467 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.196 -0.051 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.682 1.660 6.835 1.00 0.00 H new ATOM 873 N ILE A 59 -4.067 2.759 3.184 1.00 0.00 N ATOM 874 CA ILE A 59 -3.414 3.104 1.932 1.00 0.00 C ATOM 875 C ILE A 59 -1.900 3.149 2.147 1.00 0.00 C ATOM 876 O ILE A 59 -1.144 2.541 1.391 1.00 0.00 O ATOM 877 CB ILE A 59 -3.994 4.402 1.366 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.479 4.241 1.035 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.186 4.882 0.158 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.226 5.565 1.208 1.00 0.00 C ATOM 0 H ILE A 59 -4.758 3.437 3.506 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.606 2.340 1.178 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.917 5.173 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.591 3.888 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.920 3.483 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.619 5.806 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.154 5.062 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.209 4.120 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.279 5.423 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.133 5.903 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.799 6.314 0.541 1.00 0.00 H new ATOM 892 N ALA A 60 -1.503 3.875 3.182 1.00 0.00 N ATOM 893 CA ALA A 60 -0.092 4.007 3.506 1.00 0.00 C ATOM 894 C ALA A 60 0.499 2.619 3.766 1.00 0.00 C ATOM 895 O ALA A 60 1.377 2.168 3.032 1.00 0.00 O ATOM 896 CB ALA A 60 0.071 4.944 4.704 1.00 0.00 C ATOM 0 H ALA A 60 -2.133 4.378 3.807 1.00 0.00 H new ATOM 0 HA ALA A 60 0.454 4.447 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.129 5.043 4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.338 5.924 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.462 4.534 5.562 1.00 0.00 H new ATOM 902 N LEU A 61 -0.007 1.983 4.812 1.00 0.00 N ATOM 903 CA LEU A 61 0.460 0.656 5.178 1.00 0.00 C ATOM 904 C LEU A 61 0.602 -0.196 3.915 1.00 0.00 C ATOM 905 O LEU A 61 1.690 -0.683 3.610 1.00 0.00 O ATOM 906 CB LEU A 61 -0.456 0.039 6.237 1.00 0.00 C ATOM 907 CG LEU A 61 0.125 -1.139 7.021 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.509 -0.799 7.578 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.838 -1.595 8.119 1.00 0.00 C ATOM 0 H LEU A 61 -0.735 2.361 5.418 1.00 0.00 H new ATOM 0 HA LEU A 61 1.447 0.712 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.736 0.819 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.372 -0.292 5.748 1.00 0.00 H new ATOM 0 HG LEU A 61 0.251 -1.976 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.899 -1.654 8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.184 -0.560 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.432 0.060 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.401 -2.433 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.019 -0.771 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.781 -1.906 7.670 1.00 0.00 H new ATOM 921 N HIS A 62 -0.512 -0.351 3.216 1.00 0.00 N ATOM 922 CA HIS A 62 -0.526 -1.136 1.993 1.00 0.00 C ATOM 923 C HIS A 62 0.538 -0.605 1.030 1.00 0.00 C ATOM 924 O HIS A 62 1.469 -1.323 0.671 1.00 0.00 O ATOM 925 CB HIS A 62 -1.926 -1.157 1.376 1.00 0.00 C ATOM 926 CG HIS A 62 -2.031 -1.986 0.119 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.484 -3.294 0.119 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.737 -1.680 -1.178 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.459 -3.745 -1.127 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.996 -2.744 -1.929 1.00 0.00 N ATOM 0 H HIS A 62 -1.412 0.054 3.473 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.277 -2.173 2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.631 -1.542 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.228 -0.134 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.358 -0.733 -1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.754 -4.732 -1.451 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.869 -2.803 -2.939 1.00 0.00 H new ATOM 938 N ASP A 63 0.364 0.650 0.640 1.00 0.00 N ATOM 939 CA ASP A 63 1.298 1.285 -0.274 1.00 0.00 C ATOM 940 C ASP A 63 2.725 0.878 0.098 1.00 0.00 C ATOM 941 O ASP A 63 3.503 0.472 -0.765 1.00 0.00 O ATOM 942 CB ASP A 63 1.203 2.810 -0.186 1.00 0.00 C ATOM 943 CG ASP A 63 2.467 3.562 -0.607 1.00 0.00 C ATOM 944 OD1 ASP A 63 3.388 3.639 0.234 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.484 4.042 -1.761 1.00 0.00 O ATOM 0 H ASP A 63 -0.409 1.243 0.940 1.00 0.00 H new ATOM 0 HA ASP A 63 1.050 0.966 -1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.375 3.144 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.959 3.085 0.840 1.00 0.00 H new ATOM 950 N CYS A 64 3.027 1.002 1.382 1.00 0.00 N ATOM 951 CA CYS A 64 4.347 0.652 1.878 1.00 0.00 C ATOM 952 C CYS A 64 4.601 -0.825 1.568 1.00 0.00 C ATOM 953 O CYS A 64 5.497 -1.155 0.793 1.00 0.00 O ATOM 954 CB CYS A 64 4.489 0.954 3.371 1.00 0.00 C ATOM 955 SG CYS A 64 5.323 2.566 3.606 1.00 0.00 S ATOM 0 H CYS A 64 2.380 1.340 2.094 1.00 0.00 H new ATOM 0 HA CYS A 64 5.099 1.262 1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.506 0.971 3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.062 0.164 3.857 1.00 0.00 H new ATOM 0 HG CYS A 64 6.513 2.519 3.084 1.00 0.00 H new ATOM 961 N ASN A 65 3.795 -1.674 2.189 1.00 0.00 N ATOM 962 CA ASN A 65 3.922 -3.108 1.989 1.00 0.00 C ATOM 963 C ASN A 65 3.327 -3.840 3.194 1.00 0.00 C ATOM 964 O ASN A 65 2.889 -4.984 3.075 1.00 0.00 O ATOM 965 CB ASN A 65 5.390 -3.519 1.864 1.00 0.00 C ATOM 966 CG ASN A 65 5.757 -3.801 0.406 1.00 0.00 C ATOM 967 OD1 ASN A 65 4.912 -3.884 -0.470 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.063 -3.944 0.195 1.00 0.00 N ATOM 0 H ASN A 65 3.052 -1.397 2.830 1.00 0.00 H new ATOM 0 HA ASN A 65 3.396 -3.369 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.028 -2.727 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.576 -4.407 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.410 -4.135 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.717 -3.862 0.973 1.00 0.00 H new ATOM 975 N GLY A 66 3.329 -3.151 4.326 1.00 0.00 N ATOM 976 CA GLY A 66 2.795 -3.722 5.550 1.00 0.00 C ATOM 977 C GLY A 66 3.725 -3.448 6.734 1.00 0.00 C ATOM 978 O GLY A 66 3.987 -4.338 7.541 1.00 0.00 O ATOM 0 H GLY A 66 3.692 -2.203 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.810 -3.302 5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.664 -4.797 5.427 1.00 0.00 H new ATOM 982 N ASP A 67 4.197 -2.211 6.800 1.00 0.00 N ATOM 983 CA ASP A 67 5.092 -1.808 7.872 1.00 0.00 C ATOM 984 C ASP A 67 4.605 -0.485 8.466 1.00 0.00 C ATOM 985 O ASP A 67 4.669 0.554 7.811 1.00 0.00 O ATOM 986 CB ASP A 67 6.515 -1.598 7.351 1.00 0.00 C ATOM 987 CG ASP A 67 7.590 -2.432 8.051 1.00 0.00 C ATOM 988 OD1 ASP A 67 8.099 -1.949 9.085 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.878 -3.534 7.537 1.00 0.00 O ATOM 0 H ASP A 67 3.977 -1.475 6.129 1.00 0.00 H new ATOM 0 HA ASP A 67 5.096 -2.598 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.534 -1.829 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.771 -0.543 7.453 1.00 0.00 H new ATOM 994 N VAL A 68 4.130 -0.566 9.700 1.00 0.00 N ATOM 995 CA VAL A 68 3.633 0.612 10.389 1.00 0.00 C ATOM 996 C VAL A 68 4.712 1.696 10.381 1.00 0.00 C ATOM 997 O VAL A 68 4.412 2.875 10.200 1.00 0.00 O ATOM 998 CB VAL A 68 3.173 0.237 11.800 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.065 1.478 12.689 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.847 -0.525 11.760 1.00 0.00 C ATOM 0 H VAL A 68 4.079 -1.430 10.240 1.00 0.00 H new ATOM 0 HA VAL A 68 2.762 1.017 9.874 1.00 0.00 H new ATOM 0 HB VAL A 68 3.925 -0.422 12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.736 1.184 13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.039 1.963 12.756 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.343 2.172 12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.543 -0.779 12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.082 0.099 11.298 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.970 -1.439 11.178 1.00 0.00 H new ATOM 1010 N ASN A 69 5.947 1.258 10.579 1.00 0.00 N ATOM 1011 CA ASN A 69 7.073 2.177 10.597 1.00 0.00 C ATOM 1012 C ASN A 69 7.183 2.868 9.236 1.00 0.00 C ATOM 1013 O ASN A 69 7.068 4.089 9.145 1.00 0.00 O ATOM 1014 CB ASN A 69 8.385 1.435 10.857 1.00 0.00 C ATOM 1015 CG ASN A 69 9.301 2.246 11.776 1.00 0.00 C ATOM 1016 OD1 ASN A 69 10.419 2.592 11.432 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.766 2.529 12.960 1.00 0.00 N ATOM 0 H ASN A 69 6.193 0.279 10.728 1.00 0.00 H new ATOM 0 HA ASN A 69 6.904 2.902 11.393 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.175 0.466 11.310 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.891 1.242 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.298 3.067 13.644 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.824 2.208 13.184 1.00 0.00 H new ATOM 1024 N ARG A 70 7.404 2.057 8.212 1.00 0.00 N ATOM 1025 CA ARG A 70 7.530 2.575 6.861 1.00 0.00 C ATOM 1026 C ARG A 70 6.361 3.507 6.538 1.00 0.00 C ATOM 1027 O ARG A 70 6.564 4.619 6.053 1.00 0.00 O ATOM 1028 CB ARG A 70 7.565 1.439 5.836 1.00 0.00 C ATOM 1029 CG ARG A 70 8.846 0.614 5.977 1.00 0.00 C ATOM 1030 CD ARG A 70 9.728 0.753 4.734 1.00 0.00 C ATOM 1031 NE ARG A 70 10.616 -0.424 4.609 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.720 -0.614 5.345 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.077 0.295 6.263 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.466 -1.712 5.163 1.00 0.00 N ATOM 0 H ARG A 70 7.499 1.045 8.291 1.00 0.00 H new ATOM 0 HA ARG A 70 8.467 3.129 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.696 0.795 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.502 1.851 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.399 0.941 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.592 -0.435 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.105 0.845 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.324 1.663 4.801 1.00 0.00 H new ATOM 0 HE ARG A 70 10.373 -1.135 3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.509 1.131 6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.917 0.151 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.194 -2.403 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.306 -1.856 5.723 1.00 0.00 H new ATOM 1048 N ALA A 71 5.162 3.020 6.820 1.00 0.00 N ATOM 1049 CA ALA A 71 3.960 3.796 6.566 1.00 0.00 C ATOM 1050 C ALA A 71 4.095 5.169 7.226 1.00 0.00 C ATOM 1051 O ALA A 71 3.970 6.196 6.561 1.00 0.00 O ATOM 1052 CB ALA A 71 2.738 3.025 7.071 1.00 0.00 C ATOM 0 H ALA A 71 4.997 2.097 7.222 1.00 0.00 H new ATOM 0 HA ALA A 71 3.826 3.956 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.836 3.607 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.670 2.070 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.836 2.848 8.142 1.00 0.00 H new ATOM 1058 N ILE A 72 4.349 5.143 8.526 1.00 0.00 N ATOM 1059 CA ILE A 72 4.504 6.374 9.283 1.00 0.00 C ATOM 1060 C ILE A 72 5.397 7.340 8.502 1.00 0.00 C ATOM 1061 O ILE A 72 5.026 8.491 8.279 1.00 0.00 O ATOM 1062 CB ILE A 72 5.010 6.074 10.695 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.923 5.402 11.536 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.551 7.340 11.364 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.537 4.476 12.588 1.00 0.00 C ATOM 0 H ILE A 72 4.451 4.289 9.075 1.00 0.00 H new ATOM 0 HA ILE A 72 3.540 6.865 9.412 1.00 0.00 H new ATOM 0 HB ILE A 72 5.839 5.370 10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.315 6.163 12.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.258 4.831 10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.904 7.099 12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.377 7.739 10.774 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.758 8.085 11.428 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.742 4.011 13.172 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.124 3.702 12.093 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.183 5.054 13.249 1.00 0.00 H new ATOM 1077 N ASN A 73 6.557 6.835 8.107 1.00 0.00 N ATOM 1078 CA ASN A 73 7.505 7.639 7.356 1.00 0.00 C ATOM 1079 C ASN A 73 6.775 8.345 6.211 1.00 0.00 C ATOM 1080 O ASN A 73 7.093 9.485 5.877 1.00 0.00 O ATOM 1081 CB ASN A 73 8.606 6.767 6.748 1.00 0.00 C ATOM 1082 CG ASN A 73 9.939 6.989 7.464 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.709 7.877 7.138 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.169 6.134 8.457 1.00 0.00 N ATOM 0 H ASN A 73 6.861 5.879 8.293 1.00 0.00 H new ATOM 0 HA ASN A 73 7.952 8.360 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.323 5.717 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.715 6.999 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.032 6.199 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.482 5.413 8.679 1.00 0.00 H new ATOM 1091 N VAL A 74 5.810 7.638 5.642 1.00 0.00 N ATOM 1092 CA VAL A 74 5.032 8.182 4.542 1.00 0.00 C ATOM 1093 C VAL A 74 3.924 9.077 5.101 1.00 0.00 C ATOM 1094 O VAL A 74 3.793 10.232 4.699 1.00 0.00 O ATOM 1095 CB VAL A 74 4.499 7.047 3.666 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.734 7.598 2.461 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.632 6.120 3.220 1.00 0.00 C ATOM 0 H VAL A 74 5.549 6.693 5.922 1.00 0.00 H new ATOM 0 HA VAL A 74 5.659 8.802 3.901 1.00 0.00 H new ATOM 0 HB VAL A 74 3.803 6.460 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.366 6.771 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.892 8.197 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.399 8.220 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.226 5.322 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.364 6.689 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.115 5.688 4.096 1.00 0.00 H new ATOM 1107 N LEU A 75 3.155 8.510 6.019 1.00 0.00 N ATOM 1108 CA LEU A 75 2.063 9.242 6.637 1.00 0.00 C ATOM 1109 C LEU A 75 2.572 10.605 7.110 1.00 0.00 C ATOM 1110 O LEU A 75 2.051 11.642 6.702 1.00 0.00 O ATOM 1111 CB LEU A 75 1.418 8.407 7.745 1.00 0.00 C ATOM 1112 CG LEU A 75 0.453 7.313 7.284 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.350 6.198 8.328 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.917 7.900 6.936 1.00 0.00 C ATOM 0 H LEU A 75 3.267 7.552 6.350 1.00 0.00 H new ATOM 0 HA LEU A 75 1.272 9.431 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.211 7.942 8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.881 9.080 8.414 1.00 0.00 H new ATOM 0 HG LEU A 75 0.853 6.867 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.342 5.433 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.333 5.754 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.015 6.612 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.583 7.101 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.337 8.389 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.807 8.629 6.133 1.00 0.00 H new ATOM 1126 N LEU A 76 3.583 10.559 7.965 1.00 0.00 N ATOM 1127 CA LEU A 76 4.168 11.777 8.499 1.00 0.00 C ATOM 1128 C LEU A 76 4.317 12.802 7.373 1.00 0.00 C ATOM 1129 O LEU A 76 3.741 13.887 7.435 1.00 0.00 O ATOM 1130 CB LEU A 76 5.477 11.468 9.228 1.00 0.00 C ATOM 1131 CG LEU A 76 5.340 10.848 10.619 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.673 10.266 11.094 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.768 11.857 11.616 1.00 0.00 C ATOM 0 H LEU A 76 4.012 9.697 8.301 1.00 0.00 H new ATOM 0 HA LEU A 76 3.511 12.219 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.065 10.792 8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.046 12.393 9.319 1.00 0.00 H new ATOM 0 HG LEU A 76 4.632 10.022 10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.548 9.831 12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.001 9.494 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.421 11.058 11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.681 11.390 12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.431 12.719 11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.783 12.182 11.280 1.00 0.00 H new ATOM 1145 N GLU A 77 5.094 12.421 6.369 1.00 0.00 N ATOM 1146 CA GLU A 77 5.327 13.293 5.230 1.00 0.00 C ATOM 1147 C GLU A 77 4.925 12.590 3.932 1.00 0.00 C ATOM 1148 O GLU A 77 3.756 12.603 3.550 1.00 0.00 O ATOM 1149 CB GLU A 77 6.786 13.749 5.178 1.00 0.00 C ATOM 1150 CG GLU A 77 7.086 14.754 6.293 1.00 0.00 C ATOM 1151 CD GLU A 77 7.421 16.130 5.715 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.558 16.275 5.215 1.00 0.00 O ATOM 1153 OE2 GLU A 77 6.533 17.007 5.785 1.00 0.00 O ATOM 0 H GLU A 77 5.570 11.520 6.321 1.00 0.00 H new ATOM 0 HA GLU A 77 4.707 14.182 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.444 12.886 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.995 14.202 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.225 14.834 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.921 14.396 6.896 1.00 0.00 H new ATOM 1160 N GLY A 78 5.918 11.992 3.290 1.00 0.00 N ATOM 1161 CA GLY A 78 5.683 11.284 2.042 1.00 0.00 C ATOM 1162 C GLY A 78 6.982 11.124 1.250 1.00 0.00 C ATOM 1163 O GLY A 78 7.896 10.424 1.683 1.00 0.00 O ATOM 0 H GLY A 78 6.886 11.983 3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.257 10.303 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.952 11.828 1.443 1.00 0.00 H new ATOM 1167 N ASN A 79 7.023 11.786 0.102 1.00 0.00 N ATOM 1168 CA ASN A 79 8.195 11.726 -0.755 1.00 0.00 C ATOM 1169 C ASN A 79 7.839 12.277 -2.137 1.00 0.00 C ATOM 1170 O ASN A 79 6.978 11.731 -2.824 1.00 0.00 O ATOM 1171 CB ASN A 79 8.676 10.284 -0.930 1.00 0.00 C ATOM 1172 CG ASN A 79 7.498 9.340 -1.182 1.00 0.00 C ATOM 1173 OD1 ASN A 79 6.917 9.305 -2.254 1.00 0.00 O ATOM 1174 ND2 ASN A 79 7.181 8.580 -0.138 1.00 0.00 N ATOM 0 H ASN A 79 6.263 12.366 -0.254 1.00 0.00 H new ATOM 0 HA ASN A 79 8.985 12.315 -0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.376 10.229 -1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.217 9.967 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 79 6.409 7.917 -0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.710 8.660 0.731 1.00 0.00 H new ATOM 1181 N PRO A 80 8.539 13.381 -2.513 1.00 0.00 N ATOM 1182 CA PRO A 80 8.306 14.012 -3.801 1.00 0.00 C ATOM 1183 C PRO A 80 8.925 13.191 -4.934 1.00 0.00 C ATOM 1184 O PRO A 80 8.323 13.039 -5.996 1.00 0.00 O ATOM 1185 CB PRO A 80 8.911 15.401 -3.674 1.00 0.00 C ATOM 1186 CG PRO A 80 9.865 15.333 -2.492 1.00 0.00 C ATOM 1187 CD PRO A 80 9.567 14.055 -1.725 1.00 0.00 C ATOM 0 HA PRO A 80 7.247 14.075 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.438 15.682 -4.586 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.137 16.151 -3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.899 15.340 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.737 16.203 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.459 13.436 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.215 14.271 -0.717 1.00 0.00 H new ATOM 1195 N ASP A 81 10.120 12.684 -4.669 1.00 0.00 N ATOM 1196 CA ASP A 81 10.827 11.882 -5.653 1.00 0.00 C ATOM 1197 C ASP A 81 12.216 11.530 -5.115 1.00 0.00 C ATOM 1198 O ASP A 81 13.161 12.301 -5.274 1.00 0.00 O ATOM 1199 CB ASP A 81 11.009 12.652 -6.963 1.00 0.00 C ATOM 1200 CG ASP A 81 10.859 11.813 -8.233 1.00 0.00 C ATOM 1201 OD1 ASP A 81 10.969 10.574 -8.110 1.00 0.00 O ATOM 1202 OD2 ASP A 81 10.637 12.429 -9.297 1.00 0.00 O ATOM 0 H ASP A 81 10.616 12.813 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 81 10.239 10.984 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.282 13.463 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.998 13.110 -6.963 1.00 0.00 H new ATOM 1207 N THR A 82 12.295 10.365 -4.489 1.00 0.00 N ATOM 1208 CA THR A 82 13.552 9.902 -3.927 1.00 0.00 C ATOM 1209 C THR A 82 13.641 8.376 -4.007 1.00 0.00 C ATOM 1210 O THR A 82 12.627 7.686 -3.923 1.00 0.00 O ATOM 1211 CB THR A 82 13.659 10.442 -2.499 1.00 0.00 C ATOM 1212 OG1 THR A 82 14.015 11.811 -2.673 1.00 0.00 O ATOM 1213 CG2 THR A 82 14.841 9.844 -1.734 1.00 0.00 C ATOM 0 H THR A 82 11.509 9.728 -4.359 1.00 0.00 H new ATOM 0 HA THR A 82 14.402 10.277 -4.497 1.00 0.00 H new ATOM 0 HB THR A 82 12.735 10.232 -1.961 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.893 12.064 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.871 10.261 -0.727 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.726 8.762 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.769 10.083 -2.253 1.00 0.00 H new ATOM 1221 N HIS A 83 14.865 7.895 -4.168 1.00 0.00 N ATOM 1222 CA HIS A 83 15.101 6.464 -4.260 1.00 0.00 C ATOM 1223 C HIS A 83 14.297 5.886 -5.427 1.00 0.00 C ATOM 1224 O HIS A 83 13.375 6.528 -5.929 1.00 0.00 O ATOM 1225 CB HIS A 83 14.792 5.776 -2.929 1.00 0.00 C ATOM 1226 CG HIS A 83 15.894 4.869 -2.436 1.00 0.00 C ATOM 1227 ND1 HIS A 83 16.828 5.267 -1.495 1.00 0.00 N ATOM 1228 CD2 HIS A 83 16.202 3.581 -2.763 1.00 0.00 C ATOM 1229 CE1 HIS A 83 17.655 4.257 -1.274 1.00 0.00 C ATOM 1230 NE2 HIS A 83 17.266 3.213 -2.061 1.00 0.00 N ATOM 0 H HIS A 83 15.704 8.471 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 83 16.156 6.278 -4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 83 14.598 6.538 -2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.877 5.194 -3.037 1.00 0.00 H new ATOM 0 HD2 HIS A 83 15.670 2.965 -3.473 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.491 4.259 -0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 83 17.719 2.300 -2.103 1.00 0.00 H new ATOM 1238 N SER A 84 14.676 4.681 -5.825 1.00 0.00 N ATOM 1239 CA SER A 84 14.003 4.009 -6.923 1.00 0.00 C ATOM 1240 C SER A 84 14.145 4.831 -8.206 1.00 0.00 C ATOM 1241 O SER A 84 13.340 5.723 -8.468 1.00 0.00 O ATOM 1242 CB SER A 84 12.525 3.776 -6.603 1.00 0.00 C ATOM 1243 OG SER A 84 12.056 2.534 -7.119 1.00 0.00 O ATOM 0 H SER A 84 15.441 4.152 -5.406 1.00 0.00 H new ATOM 0 HA SER A 84 14.473 3.036 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.380 3.797 -5.523 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.931 4.589 -7.020 1.00 0.00 H new ATOM 0 HG SER A 84 11.109 2.422 -6.892 1.00 0.00 H new ATOM 1249 N TRP A 85 15.176 4.501 -8.971 1.00 0.00 N ATOM 1250 CA TRP A 85 15.434 5.198 -10.219 1.00 0.00 C ATOM 1251 C TRP A 85 16.087 4.208 -11.186 1.00 0.00 C ATOM 1252 O TRP A 85 16.724 3.246 -10.760 1.00 0.00 O ATOM 1253 CB TRP A 85 16.281 6.450 -9.983 1.00 0.00 C ATOM 1254 CG TRP A 85 15.498 7.760 -10.088 1.00 0.00 C ATOM 1255 CD1 TRP A 85 14.959 8.480 -9.094 1.00 0.00 C ATOM 1256 CD2 TRP A 85 15.186 8.481 -11.298 1.00 0.00 C ATOM 1257 NE1 TRP A 85 14.325 9.608 -9.574 1.00 0.00 N ATOM 1258 CE2 TRP A 85 14.467 9.609 -10.957 1.00 0.00 C ATOM 1259 CE3 TRP A 85 15.501 8.190 -12.637 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 14.003 10.536 -11.897 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 15.029 9.127 -13.565 1.00 0.00 C ATOM 1262 CH2 TRP A 85 14.304 10.267 -13.238 1.00 0.00 C ATOM 0 H TRP A 85 15.842 3.760 -8.750 1.00 0.00 H new ATOM 0 HA TRP A 85 14.504 5.555 -10.661 1.00 0.00 H new ATOM 0 HB2 TRP A 85 16.735 6.388 -8.994 1.00 0.00 H new ATOM 0 HB3 TRP A 85 17.096 6.467 -10.707 1.00 0.00 H new ATOM 0 HD1 TRP A 85 15.014 8.211 -8.049 1.00 0.00 H new ATOM 0 HE1 TRP A 85 13.841 10.312 -9.016 1.00 0.00 H new ATOM 0 HE3 TRP A 85 16.062 7.314 -12.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 13.443 11.412 -11.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 15.244 8.951 -14.609 1.00 0.00 H new ATOM 0 HH2 TRP A 85 13.975 10.942 -14.014 1.00 0.00 H new ATOM 1273 N GLU A 86 15.905 4.478 -12.471 1.00 0.00 N ATOM 1274 CA GLU A 86 16.468 3.623 -13.502 1.00 0.00 C ATOM 1275 C GLU A 86 15.898 2.208 -13.389 1.00 0.00 C ATOM 1276 O GLU A 86 15.353 1.836 -12.350 1.00 0.00 O ATOM 1277 CB GLU A 86 17.996 3.606 -13.426 1.00 0.00 C ATOM 1278 CG GLU A 86 18.594 4.817 -14.144 1.00 0.00 C ATOM 1279 CD GLU A 86 20.099 4.921 -13.883 1.00 0.00 C ATOM 1280 OE1 GLU A 86 20.469 4.921 -12.689 1.00 0.00 O ATOM 1281 OE2 GLU A 86 20.844 4.999 -14.883 1.00 0.00 O ATOM 0 H GLU A 86 15.376 5.277 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 86 16.190 4.029 -14.475 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.312 3.605 -12.383 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.376 2.688 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.412 4.736 -15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.099 5.727 -13.805 1.00 0.00 H new ATOM 1288 N MET A 87 16.042 1.457 -14.471 1.00 0.00 N ATOM 1289 CA MET A 87 15.548 0.091 -14.506 1.00 0.00 C ATOM 1290 C MET A 87 16.353 -0.758 -15.490 1.00 0.00 C ATOM 1291 O MET A 87 16.037 -0.806 -16.678 1.00 0.00 O ATOM 1292 CB MET A 87 14.074 0.092 -14.918 1.00 0.00 C ATOM 1293 CG MET A 87 13.358 -1.154 -14.394 1.00 0.00 C ATOM 1294 SD MET A 87 13.220 -2.371 -15.693 1.00 0.00 S ATOM 1295 CE MET A 87 12.281 -3.628 -14.842 1.00 0.00 C ATOM 0 H MET A 87 16.494 1.769 -15.331 1.00 0.00 H new ATOM 0 HA MET A 87 15.656 -0.341 -13.511 1.00 0.00 H new ATOM 0 HB2 MET A 87 13.585 0.986 -14.531 1.00 0.00 H new ATOM 0 HB3 MET A 87 13.996 0.131 -16.005 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.908 -1.571 -13.550 1.00 0.00 H new ATOM 0 HG3 MET A 87 12.367 -0.887 -14.028 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.104 -4.468 -15.514 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.839 -3.972 -13.971 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.326 -3.213 -14.521 1.00 0.00 H new ATOM 1305 N VAL A 88 17.379 -1.408 -14.960 1.00 0.00 N ATOM 1306 CA VAL A 88 18.233 -2.253 -15.777 1.00 0.00 C ATOM 1307 C VAL A 88 17.523 -3.582 -16.043 1.00 0.00 C ATOM 1308 O VAL A 88 17.296 -4.364 -15.122 1.00 0.00 O ATOM 1309 CB VAL A 88 19.596 -2.428 -15.104 1.00 0.00 C ATOM 1310 CG1 VAL A 88 19.482 -3.303 -13.854 1.00 0.00 C ATOM 1311 CG2 VAL A 88 20.622 -3.001 -16.083 1.00 0.00 C ATOM 0 H VAL A 88 17.638 -1.366 -13.974 1.00 0.00 H new ATOM 0 HA VAL A 88 18.421 -1.785 -16.743 1.00 0.00 H new ATOM 0 HB VAL A 88 19.945 -1.443 -14.793 1.00 0.00 H new ATOM 0 HG11 VAL A 88 20.465 -3.411 -13.395 1.00 0.00 H new ATOM 0 HG12 VAL A 88 18.799 -2.836 -13.144 1.00 0.00 H new ATOM 0 HG13 VAL A 88 19.101 -4.286 -14.131 1.00 0.00 H new ATOM 0 HG21 VAL A 88 21.582 -3.115 -15.579 1.00 0.00 H new ATOM 0 HG22 VAL A 88 20.281 -3.973 -16.439 1.00 0.00 H new ATOM 0 HG23 VAL A 88 20.735 -2.324 -16.929 1.00 0.00 H new ATOM 1321 N GLY A 89 17.192 -3.797 -17.308 1.00 0.00 N ATOM 1322 CA GLY A 89 16.512 -5.017 -17.707 1.00 0.00 C ATOM 1323 C GLY A 89 16.914 -5.430 -19.125 1.00 0.00 C ATOM 1324 O GLY A 89 16.438 -4.854 -20.101 1.00 0.00 O ATOM 0 H GLY A 89 17.382 -3.146 -18.070 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.755 -5.818 -17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.433 -4.869 -17.660 1.00 0.00 H new ATOM 1328 N LYS A 90 17.785 -6.426 -19.192 1.00 0.00 N ATOM 1329 CA LYS A 90 18.256 -6.923 -20.474 1.00 0.00 C ATOM 1330 C LYS A 90 18.206 -8.452 -20.472 1.00 0.00 C ATOM 1331 O LYS A 90 19.241 -9.111 -20.387 1.00 0.00 O ATOM 1332 CB LYS A 90 19.640 -6.354 -20.793 1.00 0.00 C ATOM 1333 CG LYS A 90 19.719 -5.890 -22.249 1.00 0.00 C ATOM 1334 CD LYS A 90 20.865 -4.896 -22.447 1.00 0.00 C ATOM 1335 CE LYS A 90 21.530 -5.089 -23.811 1.00 0.00 C ATOM 1336 NZ LYS A 90 22.995 -5.233 -23.658 1.00 0.00 N ATOM 0 H LYS A 90 18.177 -6.902 -18.380 1.00 0.00 H new ATOM 0 HA LYS A 90 17.603 -6.583 -21.278 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.855 -5.517 -20.129 1.00 0.00 H new ATOM 0 HB3 LYS A 90 20.401 -7.112 -20.607 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.863 -6.751 -22.901 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.776 -5.426 -22.538 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.486 -3.877 -22.364 1.00 0.00 H new ATOM 0 HD3 LYS A 90 21.604 -5.026 -21.657 1.00 0.00 H new ATOM 0 HE2 LYS A 90 21.121 -5.973 -24.300 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.308 -4.238 -24.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 23.431 -5.363 -24.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 23.383 -4.378 -23.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 23.202 -6.059 -23.062 1.00 0.00 H new ATOM 1350 N LYS A 91 16.991 -8.972 -20.568 1.00 0.00 N ATOM 1351 CA LYS A 91 16.792 -10.412 -20.579 1.00 0.00 C ATOM 1352 C LYS A 91 16.042 -10.809 -21.852 1.00 0.00 C ATOM 1353 O LYS A 91 15.377 -9.978 -22.470 1.00 0.00 O ATOM 1354 CB LYS A 91 16.103 -10.867 -19.292 1.00 0.00 C ATOM 1355 CG LYS A 91 17.113 -11.010 -18.150 1.00 0.00 C ATOM 1356 CD LYS A 91 16.591 -11.963 -17.073 1.00 0.00 C ATOM 1357 CE LYS A 91 15.451 -11.321 -16.279 1.00 0.00 C ATOM 1358 NZ LYS A 91 14.551 -12.361 -15.732 1.00 0.00 N ATOM 0 H LYS A 91 16.135 -8.422 -20.639 1.00 0.00 H new ATOM 0 HA LYS A 91 17.751 -10.929 -20.599 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.333 -10.147 -19.013 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.602 -11.820 -19.461 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.060 -11.382 -18.542 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.311 -10.032 -17.711 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.242 -12.885 -17.537 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.402 -12.233 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.859 -10.721 -15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.887 -10.645 -16.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.783 -11.909 -15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.148 -12.917 -16.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.089 -12.989 -15.102 1.00 0.00 H new ATOM 1372 N LYS A 92 16.173 -12.079 -22.207 1.00 0.00 N ATOM 1373 CA LYS A 92 15.515 -12.596 -23.394 1.00 0.00 C ATOM 1374 C LYS A 92 14.012 -12.329 -23.297 1.00 0.00 C ATOM 1375 O LYS A 92 13.386 -12.644 -22.286 1.00 0.00 O ATOM 1376 CB LYS A 92 15.866 -14.070 -23.602 1.00 0.00 C ATOM 1377 CG LYS A 92 15.424 -14.549 -24.986 1.00 0.00 C ATOM 1378 CD LYS A 92 16.124 -15.857 -25.363 1.00 0.00 C ATOM 1379 CE LYS A 92 16.000 -16.132 -26.863 1.00 0.00 C ATOM 1380 NZ LYS A 92 15.395 -17.462 -27.098 1.00 0.00 N ATOM 0 H LYS A 92 16.726 -12.765 -21.693 1.00 0.00 H new ATOM 0 HA LYS A 92 15.873 -12.078 -24.284 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.941 -14.211 -23.491 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.384 -14.674 -22.833 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.344 -14.694 -24.997 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.650 -13.784 -25.729 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.177 -15.804 -25.085 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.687 -16.683 -24.801 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.389 -15.360 -27.331 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.984 -16.086 -27.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.318 -17.633 -28.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.993 -18.196 -26.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.448 -17.493 -26.670 1.00 0.00 H new ATOM 1394 N GLY A 93 13.475 -11.751 -24.362 1.00 0.00 N ATOM 1395 CA GLY A 93 12.057 -11.438 -24.408 1.00 0.00 C ATOM 1396 C GLY A 93 11.473 -11.749 -25.788 1.00 0.00 C ATOM 1397 O GLY A 93 11.803 -12.769 -26.391 1.00 0.00 O ATOM 0 H GLY A 93 13.997 -11.491 -25.199 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.529 -12.013 -23.647 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.905 -10.384 -24.174 1.00 0.00 H new ATOM 1401 N VAL A 94 10.614 -10.850 -26.248 1.00 0.00 N ATOM 1402 CA VAL A 94 9.981 -11.015 -27.545 1.00 0.00 C ATOM 1403 C VAL A 94 9.584 -12.481 -27.731 1.00 0.00 C ATOM 1404 O VAL A 94 9.475 -13.227 -26.759 1.00 0.00 O ATOM 1405 CB VAL A 94 10.907 -10.502 -28.649 1.00 0.00 C ATOM 1406 CG1 VAL A 94 11.412 -9.093 -28.329 1.00 0.00 C ATOM 1407 CG2 VAL A 94 12.074 -11.464 -28.877 1.00 0.00 C ATOM 0 H VAL A 94 10.342 -10.005 -25.745 1.00 0.00 H new ATOM 0 HA VAL A 94 9.069 -10.421 -27.603 1.00 0.00 H new ATOM 0 HB VAL A 94 10.331 -10.450 -29.573 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.068 -8.751 -29.129 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.564 -8.414 -28.240 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.964 -9.109 -27.389 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.717 -11.075 -29.667 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.649 -11.563 -27.957 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.689 -12.440 -29.170 1.00 0.00 H new ATOM 1417 N SER A 95 9.379 -12.851 -28.987 1.00 0.00 N ATOM 1418 CA SER A 95 8.997 -14.214 -29.313 1.00 0.00 C ATOM 1419 C SER A 95 7.815 -14.648 -28.445 1.00 0.00 C ATOM 1420 O SER A 95 7.995 -15.348 -27.449 1.00 0.00 O ATOM 1421 CB SER A 95 10.173 -15.175 -29.126 1.00 0.00 C ATOM 1422 OG SER A 95 10.411 -15.960 -30.292 1.00 0.00 O ATOM 0 H SER A 95 9.470 -12.230 -29.791 1.00 0.00 H new ATOM 0 HA SER A 95 8.700 -14.244 -30.361 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.071 -14.607 -28.882 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.973 -15.833 -28.280 1.00 0.00 H new ATOM 0 HG SER A 95 11.170 -16.559 -30.134 1.00 0.00 H new ATOM 1428 N GLY A 96 6.631 -14.214 -28.853 1.00 0.00 N ATOM 1429 CA GLY A 96 5.419 -14.549 -28.125 1.00 0.00 C ATOM 1430 C GLY A 96 4.188 -13.942 -28.800 1.00 0.00 C ATOM 1431 O GLY A 96 4.079 -13.953 -30.026 1.00 0.00 O ATOM 0 H GLY A 96 6.486 -13.633 -29.679 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.311 -15.632 -28.070 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.493 -14.184 -27.101 1.00 0.00 H new ATOM 1435 N GLN A 97 3.293 -13.425 -27.972 1.00 0.00 N ATOM 1436 CA GLN A 97 2.074 -12.814 -28.474 1.00 0.00 C ATOM 1437 C GLN A 97 1.279 -12.192 -27.323 1.00 0.00 C ATOM 1438 O GLN A 97 0.586 -12.897 -26.591 1.00 0.00 O ATOM 1439 CB GLN A 97 1.225 -13.832 -29.239 1.00 0.00 C ATOM 1440 CG GLN A 97 0.319 -13.135 -30.256 1.00 0.00 C ATOM 1441 CD GLN A 97 -0.758 -14.090 -30.775 1.00 0.00 C ATOM 1442 OE1 GLN A 97 -0.499 -14.998 -31.548 1.00 0.00 O ATOM 1443 NE2 GLN A 97 -1.977 -13.835 -30.309 1.00 0.00 N ATOM 0 H GLN A 97 3.387 -13.416 -26.956 1.00 0.00 H new ATOM 0 HA GLN A 97 2.348 -12.022 -29.171 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.875 -14.541 -29.751 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.618 -14.405 -28.538 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.151 -12.267 -29.795 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.917 -12.768 -31.090 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.124 -13.059 -29.664 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.765 -14.416 -30.596 1.00 0.00 H new ATOM 1452 N LYS A 98 1.407 -10.879 -27.201 1.00 0.00 N ATOM 1453 CA LYS A 98 0.709 -10.154 -26.152 1.00 0.00 C ATOM 1454 C LYS A 98 1.078 -10.752 -24.793 1.00 0.00 C ATOM 1455 O LYS A 98 0.301 -11.508 -24.212 1.00 0.00 O ATOM 1456 CB LYS A 98 -0.796 -10.132 -26.426 1.00 0.00 C ATOM 1457 CG LYS A 98 -1.181 -8.916 -27.271 1.00 0.00 C ATOM 1458 CD LYS A 98 -2.428 -8.231 -26.709 1.00 0.00 C ATOM 1459 CE LYS A 98 -3.526 -8.134 -27.770 1.00 0.00 C ATOM 1460 NZ LYS A 98 -4.278 -9.405 -27.855 1.00 0.00 N ATOM 0 H LYS A 98 1.983 -10.298 -27.810 1.00 0.00 H new ATOM 0 HA LYS A 98 1.022 -9.110 -26.137 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.089 -11.046 -26.943 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.341 -10.111 -25.482 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.352 -8.208 -27.295 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.365 -9.227 -28.300 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.797 -8.789 -25.849 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.170 -7.233 -26.355 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.206 -7.318 -27.525 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.084 -7.900 -28.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.019 -9.322 -28.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.629 -10.176 -28.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.716 -9.612 -26.934 1.00 0.00 H new ATOM 1474 N SER A 99 2.264 -10.392 -24.326 1.00 0.00 N ATOM 1475 CA SER A 99 2.746 -10.883 -23.046 1.00 0.00 C ATOM 1476 C SER A 99 2.711 -9.760 -22.007 1.00 0.00 C ATOM 1477 O SER A 99 3.213 -8.665 -22.255 1.00 0.00 O ATOM 1478 CB SER A 99 4.162 -11.448 -23.170 1.00 0.00 C ATOM 1479 OG SER A 99 4.333 -12.635 -22.399 1.00 0.00 O ATOM 0 H SER A 99 2.906 -9.766 -24.811 1.00 0.00 H new ATOM 0 HA SER A 99 2.090 -11.690 -22.721 1.00 0.00 H new ATOM 0 HB2 SER A 99 4.377 -11.662 -24.217 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.882 -10.697 -22.844 1.00 0.00 H new ATOM 0 HG SER A 99 5.249 -12.966 -22.506 1.00 0.00 H new ATOM 1485 N GLY A 100 2.113 -10.071 -20.866 1.00 0.00 N ATOM 1486 CA GLY A 100 2.007 -9.101 -19.789 1.00 0.00 C ATOM 1487 C GLY A 100 0.698 -9.280 -19.018 1.00 0.00 C ATOM 1488 O GLY A 100 0.663 -9.967 -17.998 1.00 0.00 O ATOM 0 H GLY A 100 1.697 -10.980 -20.664 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.852 -9.213 -19.109 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.058 -8.092 -20.197 1.00 0.00 H new ATOM 1492 N PRO A 101 -0.375 -8.634 -19.548 1.00 0.00 N ATOM 1493 CA PRO A 101 -1.683 -8.715 -18.921 1.00 0.00 C ATOM 1494 C PRO A 101 -2.332 -10.077 -19.179 1.00 0.00 C ATOM 1495 O PRO A 101 -3.169 -10.210 -20.071 1.00 0.00 O ATOM 1496 CB PRO A 101 -2.474 -7.559 -19.510 1.00 0.00 C ATOM 1497 CG PRO A 101 -1.742 -7.157 -20.780 1.00 0.00 C ATOM 1498 CD PRO A 101 -0.371 -7.812 -20.755 1.00 0.00 C ATOM 0 HA PRO A 101 -1.634 -8.634 -17.835 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.499 -7.858 -19.728 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.528 -6.725 -18.810 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.301 -7.475 -21.660 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.646 -6.073 -20.838 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.205 -8.418 -21.646 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.424 -7.066 -20.724 1.00 0.00 H new ATOM 1506 N SER A 102 -1.920 -11.053 -18.384 1.00 0.00 N ATOM 1507 CA SER A 102 -2.451 -12.399 -18.515 1.00 0.00 C ATOM 1508 C SER A 102 -1.806 -13.319 -17.477 1.00 0.00 C ATOM 1509 O SER A 102 -0.850 -12.931 -16.806 1.00 0.00 O ATOM 1510 CB SER A 102 -2.221 -12.947 -19.925 1.00 0.00 C ATOM 1511 OG SER A 102 -3.410 -13.497 -20.485 1.00 0.00 O ATOM 0 H SER A 102 -1.225 -10.939 -17.647 1.00 0.00 H new ATOM 0 HA SER A 102 -3.526 -12.361 -18.340 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.853 -12.148 -20.569 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.447 -13.714 -19.894 1.00 0.00 H new ATOM 0 HG SER A 102 -3.222 -13.834 -21.386 1.00 0.00 H new ATOM 1517 N SER A 103 -2.355 -14.521 -17.376 1.00 0.00 N ATOM 1518 CA SER A 103 -1.845 -15.500 -16.431 1.00 0.00 C ATOM 1519 C SER A 103 -0.520 -16.076 -16.937 1.00 0.00 C ATOM 1520 O SER A 103 0.483 -16.052 -16.225 1.00 0.00 O ATOM 1521 CB SER A 103 -2.858 -16.623 -16.200 1.00 0.00 C ATOM 1522 OG SER A 103 -2.443 -17.513 -15.168 1.00 0.00 O ATOM 0 H SER A 103 -3.148 -14.839 -17.933 1.00 0.00 H new ATOM 0 HA SER A 103 -1.676 -14.999 -15.478 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.824 -16.191 -15.939 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.997 -17.181 -17.126 1.00 0.00 H new ATOM 0 HG SER A 103 -3.117 -18.214 -15.050 1.00 0.00 H new ATOM 1528 N GLY A 104 -0.560 -16.579 -18.162 1.00 0.00 N ATOM 1529 CA GLY A 104 0.624 -17.159 -18.771 1.00 0.00 C ATOM 1530 C GLY A 104 0.855 -16.590 -20.172 1.00 0.00 C ATOM 1531 O GLY A 104 1.789 -16.994 -20.864 1.00 0.00 O ATOM 0 H GLY A 104 -1.394 -16.597 -18.749 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.494 -16.959 -18.146 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.515 -18.242 -18.828 1.00 0.00 H new TER 1535 GLY A 104