USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -134:sc= -0.0452 (180deg=-0.603) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.0548 (180deg=-0.713) USER MOD Single : A 3 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.5!) USER MOD Single : A 4 LYS NZ :NH3+ -158:sc= -0.0486 (180deg=-0.747) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -91:sc= 0.586 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.0329 K(o=-0.033,f=-1.9!) USER MOD Single : A 29 GLN : amide:sc=-0.00954 K(o=-0.0095,f=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.317 K(o=0.32,f=-1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.6!) USER MOD Single : A 46 ASN : amide:sc= 1 K(o=1,f=-0.22) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 55 THR OG1 : rot -173:sc= -1.72 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.136 USER MOD Single : A 62 ASN : amide:sc= -0.056 X(o=-0.056,f=-0.03) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 151:sc= -0.149 (180deg=-1.01) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 84:sc= 0.243 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.899 -49.750 -32.771 1.00 0.00 N ATOM 2 CA MET A 1 -15.339 -48.431 -33.183 1.00 0.00 C ATOM 3 C MET A 1 -14.192 -48.027 -32.252 1.00 0.00 C ATOM 4 O MET A 1 -13.137 -47.614 -32.697 1.00 0.00 O ATOM 5 CB MET A 1 -16.504 -47.447 -33.063 1.00 0.00 C ATOM 6 CG MET A 1 -17.553 -47.763 -34.132 1.00 0.00 C ATOM 7 SD MET A 1 -18.900 -46.557 -34.033 1.00 0.00 S ATOM 8 CE MET A 1 -19.671 -47.198 -32.527 1.00 0.00 C ATOM 0 H1 MET A 1 -16.360 -50.201 -33.586 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.131 -50.361 -32.426 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.597 -49.609 -32.013 1.00 0.00 H new ATOM 0 HA MET A 1 -14.931 -48.455 -34.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.950 -47.514 -32.070 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.144 -46.425 -33.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.098 -47.735 -35.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.942 -48.771 -33.988 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.750 -47.260 -32.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.276 -48.191 -32.310 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.452 -46.531 -31.694 1.00 0.00 H new ATOM 20 N GLY A 2 -14.392 -48.146 -30.963 1.00 0.00 N ATOM 21 CA GLY A 2 -13.317 -47.772 -29.995 1.00 0.00 C ATOM 22 C GLY A 2 -13.743 -46.532 -29.207 1.00 0.00 C ATOM 23 O GLY A 2 -13.261 -45.440 -29.443 1.00 0.00 O ATOM 0 H GLY A 2 -15.255 -48.487 -30.539 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.124 -48.600 -29.313 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.387 -47.575 -30.528 1.00 0.00 H new ATOM 27 N ASN A 3 -14.644 -46.695 -28.271 1.00 0.00 N ATOM 28 CA ASN A 3 -15.110 -45.530 -27.459 1.00 0.00 C ATOM 29 C ASN A 3 -14.155 -45.282 -26.288 1.00 0.00 C ATOM 30 O ASN A 3 -13.981 -46.125 -25.428 1.00 0.00 O ATOM 31 CB ASN A 3 -16.495 -45.931 -26.948 1.00 0.00 C ATOM 32 CG ASN A 3 -17.495 -45.922 -28.108 1.00 0.00 C ATOM 33 OD1 ASN A 3 -17.263 -45.295 -29.124 1.00 0.00 O ATOM 34 ND2 ASN A 3 -18.606 -46.598 -28.000 1.00 0.00 N ATOM 0 H ASN A 3 -15.078 -47.587 -28.034 1.00 0.00 H new ATOM 0 HA ASN A 3 -15.142 -44.609 -28.041 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -16.454 -46.923 -26.498 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -16.820 -45.241 -26.169 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -19.278 -46.600 -28.767 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -18.802 -47.124 -27.149 1.00 0.00 H new ATOM 41 N LYS A 4 -13.537 -44.130 -26.255 1.00 0.00 N ATOM 42 CA LYS A 4 -12.588 -43.810 -25.148 1.00 0.00 C ATOM 43 C LYS A 4 -12.703 -42.333 -24.750 1.00 0.00 C ATOM 44 O LYS A 4 -13.092 -41.498 -25.544 1.00 0.00 O ATOM 45 CB LYS A 4 -11.198 -44.122 -25.717 1.00 0.00 C ATOM 46 CG LYS A 4 -10.910 -43.221 -26.925 1.00 0.00 C ATOM 47 CD LYS A 4 -9.526 -43.544 -27.488 1.00 0.00 C ATOM 48 CE LYS A 4 -9.184 -42.555 -28.606 1.00 0.00 C ATOM 49 NZ LYS A 4 -10.134 -42.880 -29.708 1.00 0.00 N ATOM 0 H LYS A 4 -13.650 -43.393 -26.951 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.795 -44.386 -24.246 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.439 -43.969 -24.950 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.144 -45.170 -26.013 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.670 -43.371 -27.692 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.958 -42.173 -26.629 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.778 -43.488 -26.697 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.507 -44.564 -27.872 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.304 -41.524 -28.272 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.149 -42.667 -28.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.750 -42.535 -30.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.267 -43.910 -29.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.049 -42.422 -29.524 1.00 0.00 H new ATOM 63 N GLN A 5 -12.365 -42.011 -23.526 1.00 0.00 N ATOM 64 CA GLN A 5 -12.448 -40.589 -23.071 1.00 0.00 C ATOM 65 C GLN A 5 -11.315 -39.771 -23.698 1.00 0.00 C ATOM 66 O GLN A 5 -10.177 -40.200 -23.732 1.00 0.00 O ATOM 67 CB GLN A 5 -12.290 -40.639 -21.550 1.00 0.00 C ATOM 68 CG GLN A 5 -13.507 -41.334 -20.930 1.00 0.00 C ATOM 69 CD GLN A 5 -13.328 -41.443 -19.410 1.00 0.00 C ATOM 70 OE1 GLN A 5 -12.381 -40.921 -18.852 1.00 0.00 O ATOM 71 NE2 GLN A 5 -14.206 -42.111 -18.712 1.00 0.00 N ATOM 0 H GLN A 5 -12.035 -42.672 -22.822 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.387 -40.119 -23.364 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.379 -41.175 -21.286 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.192 -39.629 -21.151 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.413 -40.773 -21.159 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.629 -42.327 -21.363 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.001 -42.549 -19.177 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -14.097 -42.194 -17.701 1.00 0.00 H new ATOM 80 N ALA A 6 -11.622 -38.599 -24.190 1.00 0.00 N ATOM 81 CA ALA A 6 -10.568 -37.746 -24.815 1.00 0.00 C ATOM 82 C ALA A 6 -10.351 -36.482 -23.982 1.00 0.00 C ATOM 83 O ALA A 6 -11.271 -35.960 -23.380 1.00 0.00 O ATOM 84 CB ALA A 6 -11.113 -37.388 -26.197 1.00 0.00 C ATOM 0 H ALA A 6 -12.559 -38.195 -24.186 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.607 -38.257 -24.877 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.393 -36.760 -26.721 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.282 -38.300 -26.769 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.054 -36.848 -26.089 1.00 0.00 H new ATOM 90 N LYS A 7 -9.141 -35.987 -23.947 1.00 0.00 N ATOM 91 CA LYS A 7 -8.853 -34.754 -23.158 1.00 0.00 C ATOM 92 C LYS A 7 -8.611 -33.573 -24.100 1.00 0.00 C ATOM 93 O LYS A 7 -8.049 -33.728 -25.168 1.00 0.00 O ATOM 94 CB LYS A 7 -7.584 -35.078 -22.367 1.00 0.00 C ATOM 95 CG LYS A 7 -7.869 -36.220 -21.390 1.00 0.00 C ATOM 96 CD LYS A 7 -6.608 -36.530 -20.581 1.00 0.00 C ATOM 97 CE LYS A 7 -5.560 -37.176 -21.492 1.00 0.00 C ATOM 98 NZ LYS A 7 -4.477 -37.626 -20.573 1.00 0.00 N ATOM 0 H LYS A 7 -8.338 -36.386 -24.433 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.680 -34.477 -22.505 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.781 -35.360 -23.048 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.247 -34.196 -21.823 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.684 -35.945 -20.721 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.190 -37.107 -21.936 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.210 -35.614 -20.144 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.849 -37.199 -19.755 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.982 -38.015 -22.046 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.184 -36.465 -22.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.721 -38.080 -21.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.090 -36.806 -20.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.863 -38.307 -19.889 1.00 0.00 H new ATOM 112 N ALA A 8 -9.035 -32.397 -23.714 1.00 0.00 N ATOM 113 CA ALA A 8 -8.834 -31.200 -24.585 1.00 0.00 C ATOM 114 C ALA A 8 -8.691 -29.934 -23.723 1.00 0.00 C ATOM 115 O ALA A 8 -9.618 -29.154 -23.621 1.00 0.00 O ATOM 116 CB ALA A 8 -10.091 -31.128 -25.454 1.00 0.00 C ATOM 0 H ALA A 8 -9.513 -32.214 -22.832 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.929 -31.272 -25.188 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.021 -30.272 -26.125 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.180 -32.042 -26.041 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.968 -31.019 -24.816 1.00 0.00 H new ATOM 122 N PRO A 9 -7.531 -29.764 -23.121 1.00 0.00 N ATOM 123 CA PRO A 9 -7.297 -28.575 -22.266 1.00 0.00 C ATOM 124 C PRO A 9 -7.152 -27.320 -23.133 1.00 0.00 C ATOM 125 O PRO A 9 -6.780 -27.399 -24.288 1.00 0.00 O ATOM 126 CB PRO A 9 -5.990 -28.896 -21.546 1.00 0.00 C ATOM 127 CG PRO A 9 -5.283 -29.860 -22.443 1.00 0.00 C ATOM 128 CD PRO A 9 -6.344 -30.637 -23.179 1.00 0.00 C ATOM 0 HA PRO A 9 -8.115 -28.376 -21.574 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.396 -27.996 -21.386 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.176 -29.333 -20.565 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.636 -29.332 -23.144 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.646 -30.529 -21.864 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.048 -30.840 -24.208 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.534 -31.600 -22.706 1.00 0.00 H new ATOM 136 N GLU A 10 -7.442 -26.167 -22.584 1.00 0.00 N ATOM 137 CA GLU A 10 -7.319 -24.909 -23.379 1.00 0.00 C ATOM 138 C GLU A 10 -6.132 -24.083 -22.875 1.00 0.00 C ATOM 139 O GLU A 10 -6.077 -23.701 -21.721 1.00 0.00 O ATOM 140 CB GLU A 10 -8.630 -24.154 -23.148 1.00 0.00 C ATOM 141 CG GLU A 10 -9.797 -24.940 -23.761 1.00 0.00 C ATOM 142 CD GLU A 10 -10.392 -25.911 -22.729 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.841 -26.023 -21.643 1.00 0.00 O ATOM 144 OE2 GLU A 10 -11.396 -26.528 -23.044 1.00 0.00 O ATOM 0 H GLU A 10 -7.758 -26.043 -21.622 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.148 -25.108 -24.437 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.796 -24.013 -22.080 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.573 -23.162 -23.596 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.567 -24.250 -24.106 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.452 -25.494 -24.634 1.00 0.00 H new ATOM 151 N SER A 11 -5.185 -23.806 -23.735 1.00 0.00 N ATOM 152 CA SER A 11 -3.995 -23.002 -23.314 1.00 0.00 C ATOM 153 C SER A 11 -4.435 -21.616 -22.836 1.00 0.00 C ATOM 154 O SER A 11 -3.951 -21.112 -21.841 1.00 0.00 O ATOM 155 CB SER A 11 -3.123 -22.883 -24.565 1.00 0.00 C ATOM 156 OG SER A 11 -2.716 -24.180 -24.979 1.00 0.00 O ATOM 0 H SER A 11 -5.183 -24.102 -24.711 1.00 0.00 H new ATOM 0 HA SER A 11 -3.458 -23.470 -22.489 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.678 -22.391 -25.364 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.250 -22.265 -24.356 1.00 0.00 H new ATOM 0 HG SER A 11 -2.158 -24.107 -25.782 1.00 0.00 H new ATOM 162 N LYS A 12 -5.351 -20.994 -23.542 1.00 0.00 N ATOM 163 CA LYS A 12 -5.835 -19.629 -23.142 1.00 0.00 C ATOM 164 C LYS A 12 -4.652 -18.683 -22.901 1.00 0.00 C ATOM 165 O LYS A 12 -4.703 -17.811 -22.054 1.00 0.00 O ATOM 166 CB LYS A 12 -6.628 -19.848 -21.848 1.00 0.00 C ATOM 167 CG LYS A 12 -7.870 -20.701 -22.132 1.00 0.00 C ATOM 168 CD LYS A 12 -8.849 -19.915 -23.013 1.00 0.00 C ATOM 169 CE LYS A 12 -10.098 -20.760 -23.275 1.00 0.00 C ATOM 170 NZ LYS A 12 -10.977 -19.891 -24.106 1.00 0.00 N ATOM 0 H LYS A 12 -5.787 -21.374 -24.382 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.445 -19.169 -23.920 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.000 -20.341 -21.106 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.925 -18.888 -21.427 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.581 -21.627 -22.630 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.353 -20.980 -21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.126 -18.982 -22.523 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.372 -19.650 -23.957 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.848 -21.684 -23.796 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.588 -21.042 -22.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.857 -20.399 -24.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.203 -19.022 -23.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.486 -19.644 -24.989 1.00 0.00 H new ATOM 184 N ASP A 13 -3.588 -18.857 -23.645 1.00 0.00 N ATOM 185 CA ASP A 13 -2.390 -17.978 -23.472 1.00 0.00 C ATOM 186 C ASP A 13 -2.736 -16.531 -23.838 1.00 0.00 C ATOM 187 O ASP A 13 -2.267 -15.596 -23.215 1.00 0.00 O ATOM 188 CB ASP A 13 -1.329 -18.539 -24.430 1.00 0.00 C ATOM 189 CG ASP A 13 -1.859 -18.529 -25.870 1.00 0.00 C ATOM 190 OD1 ASP A 13 -2.888 -19.139 -26.109 1.00 0.00 O ATOM 191 OD2 ASP A 13 -1.227 -17.907 -26.707 1.00 0.00 O ATOM 0 H ASP A 13 -3.497 -19.572 -24.367 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.036 -17.969 -22.441 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.418 -17.943 -24.365 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.066 -19.556 -24.138 1.00 0.00 H new ATOM 196 N SER A 14 -3.553 -16.345 -24.841 1.00 0.00 N ATOM 197 CA SER A 14 -3.939 -14.963 -25.256 1.00 0.00 C ATOM 198 C SER A 14 -5.435 -14.921 -25.607 1.00 0.00 C ATOM 199 O SER A 14 -5.794 -14.983 -26.768 1.00 0.00 O ATOM 200 CB SER A 14 -3.082 -14.667 -26.488 1.00 0.00 C ATOM 201 OG SER A 14 -3.134 -15.776 -27.374 1.00 0.00 O ATOM 0 H SER A 14 -3.972 -17.094 -25.393 1.00 0.00 H new ATOM 0 HA SER A 14 -3.778 -14.228 -24.467 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.443 -13.769 -26.989 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.052 -14.473 -26.190 1.00 0.00 H new ATOM 0 HG SER A 14 -2.403 -16.395 -27.167 1.00 0.00 H new ATOM 207 N PRO A 15 -6.271 -14.828 -24.592 1.00 0.00 N ATOM 208 CA PRO A 15 -7.737 -14.794 -24.826 1.00 0.00 C ATOM 209 C PRO A 15 -8.162 -13.446 -25.420 1.00 0.00 C ATOM 210 O PRO A 15 -7.507 -12.439 -25.232 1.00 0.00 O ATOM 211 CB PRO A 15 -8.329 -14.991 -23.433 1.00 0.00 C ATOM 212 CG PRO A 15 -7.275 -14.508 -22.490 1.00 0.00 C ATOM 213 CD PRO A 15 -5.945 -14.744 -23.157 1.00 0.00 C ATOM 0 HA PRO A 15 -8.072 -15.550 -25.536 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.253 -14.426 -23.314 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.570 -16.038 -23.252 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.412 -13.450 -22.267 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.331 -15.043 -21.542 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.248 -13.931 -22.954 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.478 -15.662 -22.800 1.00 0.00 H new ATOM 221 N ARG A 16 -9.263 -13.425 -26.130 1.00 0.00 N ATOM 222 CA ARG A 16 -9.752 -12.148 -26.738 1.00 0.00 C ATOM 223 C ARG A 16 -11.022 -11.664 -26.022 1.00 0.00 C ATOM 224 O ARG A 16 -11.730 -10.803 -26.513 1.00 0.00 O ATOM 225 CB ARG A 16 -10.057 -12.493 -28.194 1.00 0.00 C ATOM 226 CG ARG A 16 -8.776 -12.948 -28.896 1.00 0.00 C ATOM 227 CD ARG A 16 -7.814 -11.765 -29.031 1.00 0.00 C ATOM 228 NE ARG A 16 -6.582 -12.340 -29.637 1.00 0.00 N ATOM 229 CZ ARG A 16 -6.435 -12.347 -30.934 1.00 0.00 C ATOM 230 NH1 ARG A 16 -6.719 -11.279 -31.628 1.00 0.00 N ATOM 231 NH2 ARG A 16 -6.004 -13.421 -31.537 1.00 0.00 N ATOM 0 H ARG A 16 -9.847 -14.241 -26.316 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.018 -11.347 -26.653 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.808 -13.281 -28.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.474 -11.624 -28.704 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.304 -13.750 -28.329 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.013 -13.351 -29.881 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.236 -10.983 -29.662 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.604 -11.314 -28.061 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.853 -12.728 -29.039 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.056 -10.439 -31.157 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.604 -11.284 -32.642 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.782 -14.256 -30.995 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.889 -13.426 -32.551 1.00 0.00 H new ATOM 245 N ALA A 17 -11.311 -12.211 -24.864 1.00 0.00 N ATOM 246 CA ALA A 17 -12.522 -11.798 -24.098 1.00 0.00 C ATOM 247 C ALA A 17 -12.112 -11.343 -22.707 1.00 0.00 C ATOM 248 O ALA A 17 -11.035 -11.651 -22.249 1.00 0.00 O ATOM 249 CB ALA A 17 -13.380 -13.048 -23.994 1.00 0.00 C ATOM 0 H ALA A 17 -10.750 -12.935 -24.415 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.053 -10.977 -24.580 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.291 -12.819 -23.441 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.640 -13.395 -24.994 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.825 -13.828 -23.472 1.00 0.00 H new ATOM 255 N SER A 18 -12.966 -10.606 -22.040 1.00 0.00 N ATOM 256 CA SER A 18 -12.635 -10.089 -20.670 1.00 0.00 C ATOM 257 C SER A 18 -11.379 -9.229 -20.773 1.00 0.00 C ATOM 258 O SER A 18 -10.321 -9.671 -21.183 1.00 0.00 O ATOM 259 CB SER A 18 -12.425 -11.309 -19.766 1.00 0.00 C ATOM 260 OG SER A 18 -12.667 -10.938 -18.413 1.00 0.00 O ATOM 0 H SER A 18 -13.887 -10.337 -22.387 1.00 0.00 H new ATOM 0 HA SER A 18 -13.429 -9.470 -20.251 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.098 -12.114 -20.060 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.408 -11.687 -19.876 1.00 0.00 H new ATOM 0 HG SER A 18 -12.535 -11.716 -17.832 1.00 0.00 H new ATOM 266 N LEU A 19 -11.518 -7.984 -20.468 1.00 0.00 N ATOM 267 CA LEU A 19 -10.370 -7.054 -20.610 1.00 0.00 C ATOM 268 C LEU A 19 -9.357 -7.243 -19.470 1.00 0.00 C ATOM 269 O LEU A 19 -8.173 -7.055 -19.664 1.00 0.00 O ATOM 270 CB LEU A 19 -11.027 -5.672 -20.683 1.00 0.00 C ATOM 271 CG LEU A 19 -11.538 -5.455 -22.131 1.00 0.00 C ATOM 272 CD1 LEU A 19 -13.051 -5.257 -22.141 1.00 0.00 C ATOM 273 CD2 LEU A 19 -10.875 -4.229 -22.751 1.00 0.00 C ATOM 0 H LEU A 19 -12.380 -7.561 -20.124 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.760 -7.225 -21.497 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.853 -5.606 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.311 -4.896 -20.412 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.284 -6.341 -22.713 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.391 -5.106 -23.165 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.536 -6.139 -21.724 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.308 -4.384 -21.541 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.244 -4.090 -23.767 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.112 -3.347 -22.156 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.795 -4.372 -22.774 1.00 0.00 H new ATOM 285 N ILE A 20 -9.787 -7.680 -18.311 1.00 0.00 N ATOM 286 CA ILE A 20 -8.805 -7.967 -17.214 1.00 0.00 C ATOM 287 C ILE A 20 -8.960 -9.447 -16.837 1.00 0.00 C ATOM 288 O ILE A 20 -9.571 -9.782 -15.842 1.00 0.00 O ATOM 289 CB ILE A 20 -9.122 -7.016 -16.052 1.00 0.00 C ATOM 290 CG1 ILE A 20 -8.886 -5.567 -16.517 1.00 0.00 C ATOM 291 CG2 ILE A 20 -8.199 -7.326 -14.861 1.00 0.00 C ATOM 292 CD1 ILE A 20 -7.435 -5.385 -17.005 1.00 0.00 C ATOM 0 H ILE A 20 -10.765 -7.850 -18.077 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.768 -7.802 -17.507 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.160 -7.145 -15.744 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.580 -5.319 -17.320 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.089 -4.878 -15.697 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.427 -6.649 -14.038 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.355 -8.355 -14.538 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -7.160 -7.194 -15.162 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.287 -4.355 -17.330 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.746 -5.612 -16.191 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.245 -6.059 -17.840 1.00 0.00 H new ATOM 304 N PRO A 21 -8.416 -10.298 -17.691 1.00 0.00 N ATOM 305 CA PRO A 21 -8.528 -11.760 -17.483 1.00 0.00 C ATOM 306 C PRO A 21 -7.733 -12.168 -16.246 1.00 0.00 C ATOM 307 O PRO A 21 -7.957 -13.217 -15.674 1.00 0.00 O ATOM 308 CB PRO A 21 -7.940 -12.355 -18.763 1.00 0.00 C ATOM 309 CG PRO A 21 -7.027 -11.300 -19.292 1.00 0.00 C ATOM 310 CD PRO A 21 -7.624 -9.978 -18.896 1.00 0.00 C ATOM 0 HA PRO A 21 -9.548 -12.104 -17.310 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.399 -13.279 -18.557 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.723 -12.597 -19.482 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.025 -11.412 -18.879 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.935 -11.375 -20.376 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.853 -9.238 -18.683 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.249 -9.568 -19.689 1.00 0.00 H new ATOM 318 N ASP A 22 -6.815 -11.334 -15.825 1.00 0.00 N ATOM 319 CA ASP A 22 -6.008 -11.657 -14.618 1.00 0.00 C ATOM 320 C ASP A 22 -6.919 -11.708 -13.393 1.00 0.00 C ATOM 321 O ASP A 22 -7.807 -10.890 -13.231 1.00 0.00 O ATOM 322 CB ASP A 22 -5.006 -10.504 -14.495 1.00 0.00 C ATOM 323 CG ASP A 22 -3.859 -10.691 -15.497 1.00 0.00 C ATOM 324 OD1 ASP A 22 -3.674 -11.800 -15.972 1.00 0.00 O ATOM 325 OD2 ASP A 22 -3.185 -9.712 -15.777 1.00 0.00 O ATOM 0 H ASP A 22 -6.592 -10.443 -16.269 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.508 -12.623 -14.691 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.508 -9.554 -14.679 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.610 -10.463 -13.480 1.00 0.00 H new ATOM 330 N ALA A 23 -6.703 -12.664 -12.530 1.00 0.00 N ATOM 331 CA ALA A 23 -7.548 -12.782 -11.308 1.00 0.00 C ATOM 332 C ALA A 23 -6.707 -12.492 -10.064 1.00 0.00 C ATOM 333 O ALA A 23 -6.885 -13.104 -9.027 1.00 0.00 O ATOM 334 CB ALA A 23 -8.034 -14.231 -11.303 1.00 0.00 C ATOM 0 H ALA A 23 -5.974 -13.372 -12.620 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.378 -12.076 -11.305 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.665 -14.400 -10.431 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.608 -14.426 -12.209 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.176 -14.902 -11.265 1.00 0.00 H new ATOM 340 N THR A 24 -5.791 -11.560 -10.161 1.00 0.00 N ATOM 341 CA THR A 24 -4.933 -11.224 -8.988 1.00 0.00 C ATOM 342 C THR A 24 -5.088 -9.745 -8.627 1.00 0.00 C ATOM 343 O THR A 24 -4.939 -8.874 -9.462 1.00 0.00 O ATOM 344 CB THR A 24 -3.502 -11.518 -9.442 1.00 0.00 C ATOM 345 OG1 THR A 24 -3.411 -12.870 -9.868 1.00 0.00 O ATOM 346 CG2 THR A 24 -2.539 -11.284 -8.276 1.00 0.00 C ATOM 0 H THR A 24 -5.602 -11.018 -11.004 1.00 0.00 H new ATOM 0 HA THR A 24 -5.204 -11.798 -8.102 1.00 0.00 H new ATOM 0 HB THR A 24 -3.239 -10.858 -10.268 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.495 -13.060 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.519 -11.493 -8.599 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.610 -10.247 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.801 -11.945 -7.450 1.00 0.00 H new ATOM 354 N HIS A 25 -5.385 -9.464 -7.386 1.00 0.00 N ATOM 355 CA HIS A 25 -5.550 -8.044 -6.950 1.00 0.00 C ATOM 356 C HIS A 25 -4.683 -7.752 -5.716 1.00 0.00 C ATOM 357 O HIS A 25 -4.887 -6.766 -5.033 1.00 0.00 O ATOM 358 CB HIS A 25 -7.041 -7.901 -6.609 1.00 0.00 C ATOM 359 CG HIS A 25 -7.417 -8.869 -5.515 1.00 0.00 C ATOM 360 ND1 HIS A 25 -7.640 -10.216 -5.764 1.00 0.00 N ATOM 361 CD2 HIS A 25 -7.601 -8.701 -4.164 1.00 0.00 C ATOM 362 CE1 HIS A 25 -7.943 -10.802 -4.590 1.00 0.00 C ATOM 363 NE2 HIS A 25 -7.932 -9.922 -3.588 1.00 0.00 N ATOM 0 H HIS A 25 -5.521 -10.159 -6.652 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.238 -7.341 -7.723 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -7.253 -6.880 -6.291 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.645 -8.090 -7.496 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.504 -7.766 -3.632 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.167 -11.852 -4.474 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -8.126 -10.107 -2.604 1.00 0.00 H new ATOM 372 N LEU A 26 -3.727 -8.601 -5.419 1.00 0.00 N ATOM 373 CA LEU A 26 -2.864 -8.365 -4.223 1.00 0.00 C ATOM 374 C LEU A 26 -1.412 -8.137 -4.647 1.00 0.00 C ATOM 375 O LEU A 26 -0.826 -7.113 -4.343 1.00 0.00 O ATOM 376 CB LEU A 26 -2.993 -9.644 -3.386 1.00 0.00 C ATOM 377 CG LEU A 26 -2.765 -9.338 -1.896 1.00 0.00 C ATOM 378 CD1 LEU A 26 -1.366 -8.753 -1.693 1.00 0.00 C ATOM 379 CD2 LEU A 26 -3.809 -8.332 -1.407 1.00 0.00 C ATOM 0 H LEU A 26 -3.510 -9.443 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.166 -7.479 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.982 -10.079 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.268 -10.383 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.857 -10.263 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.211 -8.539 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.619 -9.471 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.270 -7.832 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.643 -8.119 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.722 -7.410 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.807 -8.750 -1.540 1.00 0.00 H new ATOM 391 N GLY A 27 -0.828 -9.077 -5.349 1.00 0.00 N ATOM 392 CA GLY A 27 0.585 -8.905 -5.794 1.00 0.00 C ATOM 393 C GLY A 27 1.461 -10.040 -5.242 1.00 0.00 C ATOM 394 O GLY A 27 1.142 -10.621 -4.222 1.00 0.00 O ATOM 0 H GLY A 27 -1.269 -9.952 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.632 -8.897 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.966 -7.943 -5.452 1.00 0.00 H new ATOM 398 N PRO A 28 2.553 -10.315 -5.926 1.00 0.00 N ATOM 399 CA PRO A 28 3.483 -11.381 -5.474 1.00 0.00 C ATOM 400 C PRO A 28 4.235 -10.918 -4.224 1.00 0.00 C ATOM 401 O PRO A 28 4.247 -9.745 -3.902 1.00 0.00 O ATOM 402 CB PRO A 28 4.442 -11.551 -6.649 1.00 0.00 C ATOM 403 CG PRO A 28 4.406 -10.241 -7.366 1.00 0.00 C ATOM 404 CD PRO A 28 3.025 -9.675 -7.169 1.00 0.00 C ATOM 0 HA PRO A 28 2.978 -12.311 -5.211 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.450 -11.786 -6.306 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.128 -12.367 -7.300 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.162 -9.563 -6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.621 -10.375 -8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 28 3.048 -8.589 -7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.374 -9.909 -8.011 1.00 0.00 H new ATOM 412 N GLN A 29 4.866 -11.827 -3.520 1.00 0.00 N ATOM 413 CA GLN A 29 5.622 -11.432 -2.292 1.00 0.00 C ATOM 414 C GLN A 29 7.070 -11.079 -2.655 1.00 0.00 C ATOM 415 O GLN A 29 8.006 -11.496 -2.001 1.00 0.00 O ATOM 416 CB GLN A 29 5.579 -12.659 -1.382 1.00 0.00 C ATOM 417 CG GLN A 29 6.101 -12.290 0.012 1.00 0.00 C ATOM 418 CD GLN A 29 5.935 -13.485 0.954 1.00 0.00 C ATOM 419 OE1 GLN A 29 5.139 -14.369 0.703 1.00 0.00 O ATOM 420 NE2 GLN A 29 6.662 -13.552 2.036 1.00 0.00 N ATOM 0 H GLN A 29 4.890 -12.822 -3.743 1.00 0.00 H new ATOM 0 HA GLN A 29 5.192 -10.555 -1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.558 -13.035 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.184 -13.460 -1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.151 -12.002 -0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.556 -11.430 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.330 -12.811 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.562 -14.345 2.669 1.00 0.00 H new ATOM 429 N PHE A 30 7.253 -10.298 -3.685 1.00 0.00 N ATOM 430 CA PHE A 30 8.622 -9.884 -4.094 1.00 0.00 C ATOM 431 C PHE A 30 8.587 -8.416 -4.509 1.00 0.00 C ATOM 432 O PHE A 30 7.826 -8.039 -5.381 1.00 0.00 O ATOM 433 CB PHE A 30 8.969 -10.773 -5.288 1.00 0.00 C ATOM 434 CG PHE A 30 9.163 -12.191 -4.815 1.00 0.00 C ATOM 435 CD1 PHE A 30 10.430 -12.624 -4.411 1.00 0.00 C ATOM 436 CD2 PHE A 30 8.077 -13.073 -4.780 1.00 0.00 C ATOM 437 CE1 PHE A 30 10.612 -13.939 -3.971 1.00 0.00 C ATOM 438 CE2 PHE A 30 8.258 -14.388 -4.339 1.00 0.00 C ATOM 439 CZ PHE A 30 9.527 -14.822 -3.934 1.00 0.00 C ATOM 0 H PHE A 30 6.502 -9.926 -4.266 1.00 0.00 H new ATOM 0 HA PHE A 30 9.357 -9.989 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.172 -10.731 -6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.876 -10.412 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.268 -11.943 -4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.099 -12.738 -5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.591 -14.273 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.420 -15.069 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.668 -15.837 -3.594 1.00 0.00 H new ATOM 449 N CYS A 31 9.391 -7.583 -3.900 1.00 0.00 N ATOM 450 CA CYS A 31 9.376 -6.140 -4.280 1.00 0.00 C ATOM 451 C CYS A 31 10.004 -5.969 -5.660 1.00 0.00 C ATOM 452 O CYS A 31 11.158 -6.281 -5.873 1.00 0.00 O ATOM 453 CB CYS A 31 10.205 -5.416 -3.220 1.00 0.00 C ATOM 454 SG CYS A 31 9.895 -3.634 -3.345 1.00 0.00 S ATOM 0 H CYS A 31 10.050 -7.836 -3.164 1.00 0.00 H new ATOM 0 HA CYS A 31 8.363 -5.740 -4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.941 -5.775 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.265 -5.625 -3.364 1.00 0.00 H new ATOM 459 N LYS A 32 9.244 -5.474 -6.596 1.00 0.00 N ATOM 460 CA LYS A 32 9.780 -5.273 -7.971 1.00 0.00 C ATOM 461 C LYS A 32 10.175 -3.805 -8.185 1.00 0.00 C ATOM 462 O LYS A 32 10.751 -3.463 -9.202 1.00 0.00 O ATOM 463 CB LYS A 32 8.628 -5.660 -8.899 1.00 0.00 C ATOM 464 CG LYS A 32 9.101 -5.618 -10.353 1.00 0.00 C ATOM 465 CD LYS A 32 7.964 -6.061 -11.276 1.00 0.00 C ATOM 466 CE LYS A 32 8.445 -6.036 -12.729 1.00 0.00 C ATOM 467 NZ LYS A 32 7.276 -6.498 -13.529 1.00 0.00 N ATOM 0 H LYS A 32 8.270 -5.199 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 32 10.675 -5.867 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.269 -6.659 -8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.790 -4.977 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.421 -4.609 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.964 -6.270 -10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.635 -7.065 -11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.105 -5.401 -11.155 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.755 -5.034 -13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.305 -6.691 -12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.528 -6.508 -14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.008 -7.457 -13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.475 -5.852 -13.378 1.00 0.00 H new ATOM 481 N SER A 33 9.859 -2.929 -7.252 1.00 0.00 N ATOM 482 CA SER A 33 10.211 -1.488 -7.443 1.00 0.00 C ATOM 483 C SER A 33 11.709 -1.238 -7.212 1.00 0.00 C ATOM 484 O SER A 33 12.424 -0.888 -8.133 1.00 0.00 O ATOM 485 CB SER A 33 9.384 -0.741 -6.394 1.00 0.00 C ATOM 486 OG SER A 33 8.003 -0.862 -6.708 1.00 0.00 O ATOM 0 H SER A 33 9.379 -3.150 -6.380 1.00 0.00 H new ATOM 0 HA SER A 33 10.000 -1.158 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.580 -1.149 -5.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.672 0.310 -6.369 1.00 0.00 H new ATOM 0 HG SER A 33 7.472 -0.386 -6.036 1.00 0.00 H new ATOM 492 N CYS A 34 12.196 -1.418 -6.003 1.00 0.00 N ATOM 493 CA CYS A 34 13.654 -1.184 -5.750 1.00 0.00 C ATOM 494 C CYS A 34 14.504 -2.395 -6.178 1.00 0.00 C ATOM 495 O CYS A 34 15.559 -2.238 -6.757 1.00 0.00 O ATOM 496 CB CYS A 34 13.797 -0.869 -4.247 1.00 0.00 C ATOM 497 SG CYS A 34 13.396 -2.312 -3.228 1.00 0.00 S ATOM 0 H CYS A 34 11.653 -1.713 -5.191 1.00 0.00 H new ATOM 0 HA CYS A 34 14.025 -0.350 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 34 14.816 -0.545 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.139 -0.041 -3.983 1.00 0.00 H new ATOM 502 N TRP A 35 14.056 -3.600 -5.888 1.00 0.00 N ATOM 503 CA TRP A 35 14.840 -4.836 -6.263 1.00 0.00 C ATOM 504 C TRP A 35 14.183 -6.076 -5.647 1.00 0.00 C ATOM 505 O TRP A 35 13.340 -5.974 -4.778 1.00 0.00 O ATOM 506 CB TRP A 35 16.264 -4.681 -5.683 1.00 0.00 C ATOM 507 CG TRP A 35 16.202 -4.190 -4.268 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.608 -4.844 -3.244 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.735 -2.954 -3.712 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.742 -4.088 -2.094 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.428 -2.914 -2.332 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.445 -1.875 -4.267 1.00 0.00 C ATOM 513 CZ2 TRP A 35 16.815 -1.840 -1.529 1.00 0.00 C ATOM 514 CZ3 TRP A 35 17.836 -0.793 -3.462 1.00 0.00 C ATOM 515 CH2 TRP A 35 17.521 -0.775 -2.095 1.00 0.00 C ATOM 0 H TRP A 35 13.177 -3.784 -5.405 1.00 0.00 H new ATOM 0 HA TRP A 35 14.868 -4.951 -7.347 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.785 -5.638 -5.720 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.837 -3.982 -6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 35 15.111 -5.800 -3.313 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.379 -4.364 -1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.691 -1.878 -5.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 16.570 -1.832 -0.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.383 0.030 -3.898 1.00 0.00 H new ATOM 0 HH2 TRP A 35 17.824 0.060 -1.481 1.00 0.00 H new ATOM 526 N PHE A 36 14.578 -7.246 -6.085 1.00 0.00 N ATOM 527 CA PHE A 36 13.987 -8.502 -5.525 1.00 0.00 C ATOM 528 C PHE A 36 14.579 -8.802 -4.137 1.00 0.00 C ATOM 529 O PHE A 36 15.774 -8.978 -3.989 1.00 0.00 O ATOM 530 CB PHE A 36 14.323 -9.615 -6.547 1.00 0.00 C ATOM 531 CG PHE A 36 15.814 -9.925 -6.577 1.00 0.00 C ATOM 532 CD1 PHE A 36 16.670 -9.198 -7.415 1.00 0.00 C ATOM 533 CD2 PHE A 36 16.333 -10.954 -5.777 1.00 0.00 C ATOM 534 CE1 PHE A 36 18.038 -9.493 -7.450 1.00 0.00 C ATOM 535 CE2 PHE A 36 17.703 -11.248 -5.812 1.00 0.00 C ATOM 536 CZ PHE A 36 18.555 -10.518 -6.649 1.00 0.00 C ATOM 0 H PHE A 36 15.285 -7.386 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 36 12.909 -8.421 -5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 36 13.769 -10.519 -6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.996 -9.307 -7.540 1.00 0.00 H new ATOM 0 HD1 PHE A 36 16.273 -8.408 -8.035 1.00 0.00 H new ATOM 0 HD2 PHE A 36 15.676 -11.520 -5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.695 -8.929 -8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 36 18.101 -12.038 -5.193 1.00 0.00 H new ATOM 0 HZ PHE A 36 19.610 -10.745 -6.677 1.00 0.00 H new ATOM 546 N GLU A 37 13.748 -8.850 -3.118 1.00 0.00 N ATOM 547 CA GLU A 37 14.257 -9.134 -1.742 1.00 0.00 C ATOM 548 C GLU A 37 13.088 -9.392 -0.782 1.00 0.00 C ATOM 549 O GLU A 37 11.992 -8.902 -0.978 1.00 0.00 O ATOM 550 CB GLU A 37 15.008 -7.868 -1.328 1.00 0.00 C ATOM 551 CG GLU A 37 15.986 -8.201 -0.197 1.00 0.00 C ATOM 552 CD GLU A 37 17.177 -9.009 -0.739 1.00 0.00 C ATOM 553 OE1 GLU A 37 17.279 -9.158 -1.948 1.00 0.00 O ATOM 554 OE2 GLU A 37 17.969 -9.465 0.069 1.00 0.00 O ATOM 0 H GLU A 37 12.741 -8.704 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 37 14.893 -10.019 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.548 -7.457 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.302 -7.105 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.343 -7.281 0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.475 -8.771 0.579 1.00 0.00 H new ATOM 561 N ASN A 38 13.321 -10.154 0.257 1.00 0.00 N ATOM 562 CA ASN A 38 12.238 -10.447 1.247 1.00 0.00 C ATOM 563 C ASN A 38 12.678 -10.035 2.663 1.00 0.00 C ATOM 564 O ASN A 38 12.128 -10.488 3.647 1.00 0.00 O ATOM 565 CB ASN A 38 12.038 -11.962 1.167 1.00 0.00 C ATOM 566 CG ASN A 38 11.471 -12.330 -0.205 1.00 0.00 C ATOM 567 OD1 ASN A 38 10.732 -11.566 -0.795 1.00 0.00 O ATOM 568 ND2 ASN A 38 11.789 -13.476 -0.743 1.00 0.00 N ATOM 0 H ASN A 38 14.220 -10.589 0.464 1.00 0.00 H new ATOM 0 HA ASN A 38 11.321 -9.898 1.032 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.987 -12.474 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.359 -12.292 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.417 -13.730 -1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.409 -14.117 -0.248 1.00 0.00 H new ATOM 575 N LYS A 39 13.674 -9.188 2.765 1.00 0.00 N ATOM 576 CA LYS A 39 14.168 -8.746 4.109 1.00 0.00 C ATOM 577 C LYS A 39 13.097 -7.952 4.861 1.00 0.00 C ATOM 578 O LYS A 39 12.914 -8.123 6.052 1.00 0.00 O ATOM 579 CB LYS A 39 15.383 -7.861 3.811 1.00 0.00 C ATOM 580 CG LYS A 39 16.507 -8.706 3.200 1.00 0.00 C ATOM 581 CD LYS A 39 17.058 -9.672 4.253 1.00 0.00 C ATOM 582 CE LYS A 39 18.182 -10.510 3.642 1.00 0.00 C ATOM 583 NZ LYS A 39 18.652 -11.383 4.753 1.00 0.00 N ATOM 0 H LYS A 39 14.169 -8.781 1.971 1.00 0.00 H new ATOM 0 HA LYS A 39 14.419 -9.595 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.102 -7.062 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.731 -7.385 4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.131 -9.264 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.304 -8.059 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.432 -9.115 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.262 -10.322 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.822 -11.101 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.987 -9.878 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.425 -11.990 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.994 -10.792 5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.865 -11.977 5.085 1.00 0.00 H new ATOM 597 N GLY A 40 12.398 -7.079 4.182 1.00 0.00 N ATOM 598 CA GLY A 40 11.346 -6.264 4.864 1.00 0.00 C ATOM 599 C GLY A 40 10.238 -5.930 3.870 1.00 0.00 C ATOM 600 O GLY A 40 9.914 -4.778 3.651 1.00 0.00 O ATOM 0 H GLY A 40 12.510 -6.895 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.936 -6.815 5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.782 -5.347 5.261 1.00 0.00 H new ATOM 604 N LEU A 41 9.664 -6.932 3.261 1.00 0.00 N ATOM 605 CA LEU A 41 8.580 -6.686 2.264 1.00 0.00 C ATOM 606 C LEU A 41 7.252 -6.377 2.962 1.00 0.00 C ATOM 607 O LEU A 41 6.858 -7.045 3.898 1.00 0.00 O ATOM 608 CB LEU A 41 8.475 -7.985 1.465 1.00 0.00 C ATOM 609 CG LEU A 41 7.463 -7.811 0.331 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.930 -6.707 -0.625 1.00 0.00 C ATOM 611 CD2 LEU A 41 7.344 -9.125 -0.436 1.00 0.00 C ATOM 0 H LEU A 41 9.899 -7.913 3.411 1.00 0.00 H new ATOM 0 HA LEU A 41 8.801 -5.828 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.450 -8.253 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.167 -8.801 2.118 1.00 0.00 H new ATOM 0 HG LEU A 41 6.496 -7.534 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.203 -6.590 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.021 -5.768 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.898 -6.977 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.624 -9.009 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.316 -9.394 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.007 -9.911 0.239 1.00 0.00 H new ATOM 623 N VAL A 42 6.558 -5.374 2.493 1.00 0.00 N ATOM 624 CA VAL A 42 5.243 -5.005 3.088 1.00 0.00 C ATOM 625 C VAL A 42 4.206 -5.027 1.966 1.00 0.00 C ATOM 626 O VAL A 42 4.443 -4.499 0.895 1.00 0.00 O ATOM 627 CB VAL A 42 5.442 -3.590 3.645 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.107 -3.016 4.135 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.427 -3.642 4.813 1.00 0.00 C ATOM 0 H VAL A 42 6.852 -4.788 1.712 1.00 0.00 H new ATOM 0 HA VAL A 42 4.902 -5.679 3.874 1.00 0.00 H new ATOM 0 HB VAL A 42 5.833 -2.950 2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.265 -2.011 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.402 -2.975 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.704 -3.654 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.571 -2.638 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.030 -4.290 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.382 -4.035 4.466 1.00 0.00 H new ATOM 639 N GLU A 43 3.083 -5.658 2.181 1.00 0.00 N ATOM 640 CA GLU A 43 2.068 -5.738 1.094 1.00 0.00 C ATOM 641 C GLU A 43 1.049 -4.593 1.154 1.00 0.00 C ATOM 642 O GLU A 43 0.175 -4.562 1.999 1.00 0.00 O ATOM 643 CB GLU A 43 1.376 -7.095 1.288 1.00 0.00 C ATOM 644 CG GLU A 43 0.685 -7.154 2.658 1.00 0.00 C ATOM 645 CD GLU A 43 1.105 -8.425 3.403 1.00 0.00 C ATOM 646 OE1 GLU A 43 1.156 -9.469 2.772 1.00 0.00 O ATOM 647 OE2 GLU A 43 1.370 -8.333 4.591 1.00 0.00 O ATOM 0 H GLU A 43 2.827 -6.118 3.055 1.00 0.00 H new ATOM 0 HA GLU A 43 2.541 -5.647 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.643 -7.253 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.108 -7.898 1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.949 -6.274 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.397 -7.139 2.529 1.00 0.00 H new ATOM 654 N CYS A 44 1.121 -3.685 0.208 1.00 0.00 N ATOM 655 CA CYS A 44 0.117 -2.577 0.135 1.00 0.00 C ATOM 656 C CYS A 44 -1.222 -3.239 -0.193 1.00 0.00 C ATOM 657 O CYS A 44 -1.251 -4.425 -0.475 1.00 0.00 O ATOM 658 CB CYS A 44 0.577 -1.688 -1.028 1.00 0.00 C ATOM 659 SG CYS A 44 0.261 0.060 -0.675 1.00 0.00 S ATOM 0 H CYS A 44 1.836 -3.665 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 44 0.023 -1.990 1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.641 -1.840 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.056 -1.978 -1.940 1.00 0.00 H new ATOM 664 N ASN A 45 -2.327 -2.532 -0.159 1.00 0.00 N ATOM 665 CA ASN A 45 -3.631 -3.209 -0.474 1.00 0.00 C ATOM 666 C ASN A 45 -3.550 -3.917 -1.841 1.00 0.00 C ATOM 667 O ASN A 45 -3.517 -5.129 -1.915 1.00 0.00 O ATOM 668 CB ASN A 45 -4.667 -2.085 -0.511 1.00 0.00 C ATOM 669 CG ASN A 45 -4.930 -1.579 0.910 1.00 0.00 C ATOM 670 OD1 ASN A 45 -4.667 -2.271 1.875 1.00 0.00 O ATOM 671 ND2 ASN A 45 -5.438 -0.390 1.082 1.00 0.00 N ATOM 0 H ASN A 45 -2.386 -1.539 0.067 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.886 -3.971 0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.309 -1.268 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.594 -2.446 -0.956 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.614 -0.042 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.659 0.192 0.274 1.00 0.00 H new ATOM 678 N ASN A 46 -3.488 -3.170 -2.912 1.00 0.00 N ATOM 679 CA ASN A 46 -3.373 -3.791 -4.269 1.00 0.00 C ATOM 680 C ASN A 46 -1.956 -3.597 -4.839 1.00 0.00 C ATOM 681 O ASN A 46 -1.780 -3.484 -6.038 1.00 0.00 O ATOM 682 CB ASN A 46 -4.424 -3.074 -5.116 1.00 0.00 C ATOM 683 CG ASN A 46 -5.816 -3.352 -4.538 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.610 -2.448 -4.375 1.00 0.00 O ATOM 685 ND2 ASN A 46 -6.149 -4.576 -4.218 1.00 0.00 N ATOM 0 H ASN A 46 -3.512 -2.150 -2.907 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.539 -4.868 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.229 -2.002 -5.126 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.371 -3.418 -6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.074 -4.769 -3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.484 -5.337 -4.354 1.00 0.00 H new ATOM 692 N HIS A 47 -0.955 -3.514 -3.993 1.00 0.00 N ATOM 693 CA HIS A 47 0.442 -3.276 -4.494 1.00 0.00 C ATOM 694 C HIS A 47 1.480 -3.833 -3.491 1.00 0.00 C ATOM 695 O HIS A 47 1.199 -3.972 -2.323 1.00 0.00 O ATOM 696 CB HIS A 47 0.475 -1.726 -4.641 1.00 0.00 C ATOM 697 CG HIS A 47 1.837 -1.120 -4.369 1.00 0.00 C ATOM 698 ND1 HIS A 47 1.992 0.030 -3.593 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.105 -1.476 -4.760 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.305 0.311 -3.541 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.022 -0.574 -4.235 1.00 0.00 N ATOM 0 H HIS A 47 -1.042 -3.600 -2.980 1.00 0.00 H new ATOM 0 HA HIS A 47 0.692 -3.778 -5.428 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.162 -1.458 -5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.251 -1.289 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.351 -2.326 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.727 1.148 -3.005 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.035 -0.586 -4.355 1.00 0.00 H new ATOM 709 N TYR A 48 2.671 -4.167 -3.948 1.00 0.00 N ATOM 710 CA TYR A 48 3.713 -4.715 -3.014 1.00 0.00 C ATOM 711 C TYR A 48 4.962 -3.819 -2.976 1.00 0.00 C ATOM 712 O TYR A 48 5.610 -3.593 -3.980 1.00 0.00 O ATOM 713 CB TYR A 48 4.080 -6.101 -3.571 1.00 0.00 C ATOM 714 CG TYR A 48 3.670 -7.177 -2.591 1.00 0.00 C ATOM 715 CD1 TYR A 48 4.463 -7.444 -1.465 1.00 0.00 C ATOM 716 CD2 TYR A 48 2.499 -7.907 -2.808 1.00 0.00 C ATOM 717 CE1 TYR A 48 4.080 -8.443 -0.560 1.00 0.00 C ATOM 718 CE2 TYR A 48 2.116 -8.904 -1.903 1.00 0.00 C ATOM 719 CZ TYR A 48 2.905 -9.171 -0.778 1.00 0.00 C ATOM 720 OH TYR A 48 2.525 -10.153 0.114 1.00 0.00 O ATOM 0 H TYR A 48 2.964 -4.084 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 48 3.333 -4.764 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 48 3.583 -6.261 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.153 -6.155 -3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.368 -6.880 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.888 -7.702 -3.675 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.692 -8.651 0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.211 -9.468 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 48 1.685 -10.560 -0.186 1.00 0.00 H new ATOM 730 N LEU A 49 5.320 -3.353 -1.807 1.00 0.00 N ATOM 731 CA LEU A 49 6.548 -2.514 -1.652 1.00 0.00 C ATOM 732 C LEU A 49 7.227 -2.914 -0.336 1.00 0.00 C ATOM 733 O LEU A 49 6.551 -3.209 0.631 1.00 0.00 O ATOM 734 CB LEU A 49 6.075 -1.060 -1.596 1.00 0.00 C ATOM 735 CG LEU A 49 7.287 -0.135 -1.745 1.00 0.00 C ATOM 736 CD1 LEU A 49 7.853 -0.269 -3.161 1.00 0.00 C ATOM 737 CD2 LEU A 49 6.866 1.317 -1.505 1.00 0.00 C ATOM 0 H LEU A 49 4.807 -3.520 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 49 7.258 -2.647 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.355 -0.868 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.567 -0.866 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 49 8.046 -0.415 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.716 0.388 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.158 -1.301 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.089 0.011 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.732 1.970 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.106 1.600 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.460 1.416 -0.499 1.00 0.00 H new ATOM 749 N CYS A 50 8.538 -2.932 -0.277 1.00 0.00 N ATOM 750 CA CYS A 50 9.209 -3.324 0.993 1.00 0.00 C ATOM 751 C CYS A 50 9.556 -2.081 1.805 1.00 0.00 C ATOM 752 O CYS A 50 9.608 -0.984 1.288 1.00 0.00 O ATOM 753 CB CYS A 50 10.444 -4.162 0.599 1.00 0.00 C ATOM 754 SG CYS A 50 11.760 -3.132 -0.096 1.00 0.00 S ATOM 0 H CYS A 50 9.163 -2.694 -1.047 1.00 0.00 H new ATOM 0 HA CYS A 50 8.564 -3.923 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.820 -4.690 1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.152 -4.919 -0.129 1.00 0.00 H new ATOM 759 N LEU A 51 9.764 -2.256 3.076 1.00 0.00 N ATOM 760 CA LEU A 51 10.067 -1.098 3.961 1.00 0.00 C ATOM 761 C LEU A 51 11.338 -0.390 3.512 1.00 0.00 C ATOM 762 O LEU A 51 11.453 0.816 3.616 1.00 0.00 O ATOM 763 CB LEU A 51 10.287 -1.704 5.352 1.00 0.00 C ATOM 764 CG LEU A 51 10.012 -0.671 6.460 1.00 0.00 C ATOM 765 CD1 LEU A 51 10.807 0.620 6.239 1.00 0.00 C ATOM 766 CD2 LEU A 51 8.510 -0.352 6.504 1.00 0.00 C ATOM 0 H LEU A 51 9.737 -3.161 3.546 1.00 0.00 H new ATOM 0 HA LEU A 51 9.263 -0.363 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.632 -2.565 5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.312 -2.067 5.436 1.00 0.00 H new ATOM 0 HG LEU A 51 10.331 -1.102 7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.587 1.325 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.873 0.395 6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.527 1.060 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.316 0.379 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.196 0.055 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.950 -1.264 6.712 1.00 0.00 H new ATOM 778 N ASN A 52 12.310 -1.131 3.049 1.00 0.00 N ATOM 779 CA ASN A 52 13.600 -0.496 2.646 1.00 0.00 C ATOM 780 C ASN A 52 13.373 0.675 1.671 1.00 0.00 C ATOM 781 O ASN A 52 13.906 1.753 1.865 1.00 0.00 O ATOM 782 CB ASN A 52 14.403 -1.604 1.951 1.00 0.00 C ATOM 783 CG ASN A 52 14.646 -2.773 2.909 1.00 0.00 C ATOM 784 OD1 ASN A 52 15.213 -2.598 3.969 1.00 0.00 O ATOM 785 ND2 ASN A 52 14.243 -3.970 2.574 1.00 0.00 N ATOM 0 H ASN A 52 12.268 -2.143 2.933 1.00 0.00 H new ATOM 0 HA ASN A 52 14.118 -0.085 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.864 -1.954 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.357 -1.207 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.405 -4.757 3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.767 -4.117 1.684 1.00 0.00 H new ATOM 792 N CYS A 53 12.576 0.485 0.648 1.00 0.00 N ATOM 793 CA CYS A 53 12.306 1.606 -0.308 1.00 0.00 C ATOM 794 C CYS A 53 11.090 2.407 0.162 1.00 0.00 C ATOM 795 O CYS A 53 10.949 3.576 -0.145 1.00 0.00 O ATOM 796 CB CYS A 53 12.092 0.983 -1.694 1.00 0.00 C ATOM 797 SG CYS A 53 10.678 -0.145 -1.694 1.00 0.00 S ATOM 0 H CYS A 53 12.103 -0.393 0.434 1.00 0.00 H new ATOM 0 HA CYS A 53 13.141 2.305 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.931 1.772 -2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 53 12.990 0.444 -1.996 1.00 0.00 H new ATOM 802 N LEU A 54 10.209 1.781 0.906 1.00 0.00 N ATOM 803 CA LEU A 54 8.989 2.492 1.405 1.00 0.00 C ATOM 804 C LEU A 54 9.399 3.717 2.221 1.00 0.00 C ATOM 805 O LEU A 54 8.813 4.764 2.099 1.00 0.00 O ATOM 806 CB LEU A 54 8.291 1.478 2.315 1.00 0.00 C ATOM 807 CG LEU A 54 6.935 2.012 2.773 1.00 0.00 C ATOM 808 CD1 LEU A 54 6.088 0.840 3.262 1.00 0.00 C ATOM 809 CD2 LEU A 54 7.113 3.008 3.925 1.00 0.00 C ATOM 0 H LEU A 54 10.283 0.804 1.190 1.00 0.00 H new ATOM 0 HA LEU A 54 8.348 2.835 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.156 0.536 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.917 1.268 3.182 1.00 0.00 H new ATOM 0 HG LEU A 54 6.450 2.518 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.116 1.206 3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.950 0.127 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.593 0.349 4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.137 3.379 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.600 2.511 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.729 3.844 3.592 1.00 0.00 H new ATOM 821 N THR A 55 10.397 3.584 3.052 1.00 0.00 N ATOM 822 CA THR A 55 10.853 4.745 3.882 1.00 0.00 C ATOM 823 C THR A 55 11.377 5.870 2.978 1.00 0.00 C ATOM 824 O THR A 55 11.117 7.033 3.222 1.00 0.00 O ATOM 825 CB THR A 55 11.969 4.187 4.777 1.00 0.00 C ATOM 826 OG1 THR A 55 11.428 3.206 5.646 1.00 0.00 O ATOM 827 CG2 THR A 55 12.603 5.309 5.607 1.00 0.00 C ATOM 0 H THR A 55 10.920 2.720 3.195 1.00 0.00 H new ATOM 0 HA THR A 55 10.045 5.174 4.474 1.00 0.00 H new ATOM 0 HB THR A 55 12.737 3.741 4.145 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.111 2.928 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.392 4.896 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.026 6.060 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.842 5.770 6.236 1.00 0.00 H new ATOM 835 N LEU A 56 12.123 5.538 1.951 1.00 0.00 N ATOM 836 CA LEU A 56 12.673 6.602 1.050 1.00 0.00 C ATOM 837 C LEU A 56 11.531 7.420 0.432 1.00 0.00 C ATOM 838 O LEU A 56 11.593 8.634 0.369 1.00 0.00 O ATOM 839 CB LEU A 56 13.446 5.854 -0.041 1.00 0.00 C ATOM 840 CG LEU A 56 14.713 5.241 0.556 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.354 4.294 -0.462 1.00 0.00 C ATOM 842 CD2 LEU A 56 15.702 6.357 0.901 1.00 0.00 C ATOM 0 H LEU A 56 12.374 4.582 1.698 1.00 0.00 H new ATOM 0 HA LEU A 56 13.311 7.302 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.821 5.073 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.707 6.537 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 56 14.456 4.685 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.257 3.858 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.651 3.500 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.611 4.849 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.606 5.923 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.956 6.910 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.249 7.034 1.625 1.00 0.00 H new ATOM 854 N LEU A 57 10.487 6.767 -0.001 1.00 0.00 N ATOM 855 CA LEU A 57 9.325 7.499 -0.593 1.00 0.00 C ATOM 856 C LEU A 57 8.166 7.568 0.409 1.00 0.00 C ATOM 857 O LEU A 57 7.063 7.934 0.054 1.00 0.00 O ATOM 858 CB LEU A 57 8.896 6.655 -1.793 1.00 0.00 C ATOM 859 CG LEU A 57 9.795 6.948 -2.993 1.00 0.00 C ATOM 860 CD1 LEU A 57 9.954 5.673 -3.824 1.00 0.00 C ATOM 861 CD2 LEU A 57 9.145 8.037 -3.854 1.00 0.00 C ATOM 0 H LEU A 57 10.386 5.752 0.029 1.00 0.00 H new ATOM 0 HA LEU A 57 9.591 8.521 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.949 5.596 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.858 6.871 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 57 10.773 7.286 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.595 5.876 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.405 4.893 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.976 5.341 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.782 8.251 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.171 7.693 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.019 8.943 -3.261 1.00 0.00 H new ATOM 873 N LEU A 58 8.388 7.176 1.650 1.00 0.00 N ATOM 874 CA LEU A 58 7.279 7.161 2.662 1.00 0.00 C ATOM 875 C LEU A 58 6.198 6.183 2.190 1.00 0.00 C ATOM 876 O LEU A 58 6.081 5.914 1.009 1.00 0.00 O ATOM 877 CB LEU A 58 6.731 8.595 2.734 1.00 0.00 C ATOM 878 CG LEU A 58 6.850 9.148 4.162 1.00 0.00 C ATOM 879 CD1 LEU A 58 6.050 8.277 5.134 1.00 0.00 C ATOM 880 CD2 LEU A 58 8.319 9.180 4.594 1.00 0.00 C ATOM 0 H LEU A 58 9.293 6.866 2.003 1.00 0.00 H new ATOM 0 HA LEU A 58 7.619 6.840 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.280 9.235 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.688 8.608 2.419 1.00 0.00 H new ATOM 0 HG LEU A 58 6.449 10.162 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.142 8.679 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.001 8.273 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.437 7.258 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.392 9.574 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.728 8.170 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.884 9.819 3.915 1.00 0.00 H new ATOM 892 N SER A 59 5.392 5.651 3.083 1.00 0.00 N ATOM 893 CA SER A 59 4.317 4.714 2.623 1.00 0.00 C ATOM 894 C SER A 59 3.374 5.514 1.726 1.00 0.00 C ATOM 895 O SER A 59 3.185 5.211 0.563 1.00 0.00 O ATOM 896 CB SER A 59 3.605 4.245 3.893 1.00 0.00 C ATOM 897 OG SER A 59 2.953 3.005 3.637 1.00 0.00 O ATOM 0 H SER A 59 5.431 5.821 4.088 1.00 0.00 H new ATOM 0 HA SER A 59 4.689 3.856 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.323 4.130 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.878 4.992 4.213 1.00 0.00 H new ATOM 0 HG SER A 59 2.497 2.701 4.450 1.00 0.00 H new ATOM 903 N VAL A 60 2.843 6.578 2.262 1.00 0.00 N ATOM 904 CA VAL A 60 1.971 7.480 1.469 1.00 0.00 C ATOM 905 C VAL A 60 2.074 8.904 2.023 1.00 0.00 C ATOM 906 O VAL A 60 1.100 9.450 2.508 1.00 0.00 O ATOM 907 CB VAL A 60 0.545 6.941 1.597 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.465 5.541 0.988 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.133 6.884 3.072 1.00 0.00 C ATOM 0 H VAL A 60 2.981 6.862 3.232 1.00 0.00 H new ATOM 0 HA VAL A 60 2.268 7.512 0.421 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.133 7.607 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.552 5.161 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.740 5.586 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.150 4.876 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.884 6.499 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.813 6.227 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.176 7.885 3.501 1.00 0.00 H new ATOM 919 N SER A 61 3.244 9.517 1.969 1.00 0.00 N ATOM 920 CA SER A 61 3.384 10.918 2.510 1.00 0.00 C ATOM 921 C SER A 61 2.297 11.809 1.904 1.00 0.00 C ATOM 922 O SER A 61 1.657 12.589 2.584 1.00 0.00 O ATOM 923 CB SER A 61 4.770 11.398 2.071 1.00 0.00 C ATOM 924 OG SER A 61 4.850 11.384 0.652 1.00 0.00 O ATOM 0 H SER A 61 4.096 9.114 1.579 1.00 0.00 H new ATOM 0 HA SER A 61 3.278 10.953 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.953 12.405 2.446 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.541 10.754 2.496 1.00 0.00 H new ATOM 0 HG SER A 61 5.737 11.693 0.371 1.00 0.00 H new ATOM 930 N ASN A 62 2.062 11.644 0.636 1.00 0.00 N ATOM 931 CA ASN A 62 0.991 12.412 -0.048 1.00 0.00 C ATOM 932 C ASN A 62 0.092 11.425 -0.795 1.00 0.00 C ATOM 933 O ASN A 62 -1.118 11.479 -0.708 1.00 0.00 O ATOM 934 CB ASN A 62 1.713 13.339 -1.024 1.00 0.00 C ATOM 935 CG ASN A 62 2.555 14.345 -0.239 1.00 0.00 C ATOM 936 OD1 ASN A 62 3.748 14.454 -0.451 1.00 0.00 O ATOM 937 ND2 ASN A 62 1.982 15.092 0.664 1.00 0.00 N ATOM 0 H ASN A 62 2.575 10.999 0.035 1.00 0.00 H new ATOM 0 HA ASN A 62 0.367 12.984 0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.349 12.758 -1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.989 13.863 -1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.534 15.768 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.982 15.001 0.842 1.00 0.00 H new ATOM 944 N ARG A 63 0.696 10.526 -1.533 1.00 0.00 N ATOM 945 CA ARG A 63 -0.096 9.521 -2.305 1.00 0.00 C ATOM 946 C ARG A 63 0.754 8.281 -2.639 1.00 0.00 C ATOM 947 O ARG A 63 1.952 8.381 -2.822 1.00 0.00 O ATOM 948 CB ARG A 63 -0.494 10.259 -3.588 1.00 0.00 C ATOM 949 CG ARG A 63 0.765 10.694 -4.355 1.00 0.00 C ATOM 950 CD ARG A 63 0.356 11.433 -5.631 1.00 0.00 C ATOM 951 NE ARG A 63 1.641 11.785 -6.319 1.00 0.00 N ATOM 952 CZ ARG A 63 1.649 12.359 -7.508 1.00 0.00 C ATOM 953 NH1 ARG A 63 0.538 12.738 -8.096 1.00 0.00 N ATOM 954 NH2 ARG A 63 2.789 12.556 -8.115 1.00 0.00 N ATOM 0 H ARG A 63 1.708 10.446 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.956 9.156 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.106 9.611 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.100 11.131 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.380 11.341 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.371 9.823 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.269 10.805 -6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.222 12.327 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 63 2.527 11.577 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.359 12.591 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.572 13.179 -9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.660 12.267 -7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.808 12.998 -9.034 1.00 0.00 H new ATOM 968 N CYS A 64 0.136 7.129 -2.778 1.00 0.00 N ATOM 969 CA CYS A 64 0.912 5.909 -3.168 1.00 0.00 C ATOM 970 C CYS A 64 1.006 5.900 -4.704 1.00 0.00 C ATOM 971 O CYS A 64 -0.002 5.758 -5.369 1.00 0.00 O ATOM 972 CB CYS A 64 0.103 4.709 -2.657 1.00 0.00 C ATOM 973 SG CYS A 64 1.222 3.305 -2.389 1.00 0.00 S ATOM 0 H CYS A 64 -0.864 6.983 -2.639 1.00 0.00 H new ATOM 0 HA CYS A 64 1.920 5.881 -2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.405 4.967 -1.728 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.669 4.442 -3.379 1.00 0.00 H new ATOM 978 N PRO A 65 2.195 6.108 -5.237 1.00 0.00 N ATOM 979 CA PRO A 65 2.343 6.182 -6.716 1.00 0.00 C ATOM 980 C PRO A 65 2.050 4.844 -7.404 1.00 0.00 C ATOM 981 O PRO A 65 1.542 4.819 -8.510 1.00 0.00 O ATOM 982 CB PRO A 65 3.805 6.583 -6.908 1.00 0.00 C ATOM 983 CG PRO A 65 4.490 6.132 -5.661 1.00 0.00 C ATOM 984 CD PRO A 65 3.486 6.278 -4.552 1.00 0.00 C ATOM 0 HA PRO A 65 1.636 6.882 -7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.234 6.106 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.905 7.659 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.821 5.098 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.377 6.735 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.632 5.526 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.559 7.252 -4.069 1.00 0.00 H new ATOM 992 N ILE A 66 2.364 3.740 -6.777 1.00 0.00 N ATOM 993 CA ILE A 66 2.098 2.418 -7.432 1.00 0.00 C ATOM 994 C ILE A 66 0.599 2.108 -7.468 1.00 0.00 C ATOM 995 O ILE A 66 0.075 1.697 -8.487 1.00 0.00 O ATOM 996 CB ILE A 66 2.864 1.377 -6.616 1.00 0.00 C ATOM 997 CG1 ILE A 66 4.357 1.761 -6.536 1.00 0.00 C ATOM 998 CG2 ILE A 66 2.720 0.009 -7.288 1.00 0.00 C ATOM 999 CD1 ILE A 66 4.963 1.861 -7.944 1.00 0.00 C ATOM 0 H ILE A 66 2.788 3.693 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 66 2.428 2.420 -8.471 1.00 0.00 H new ATOM 0 HB ILE A 66 2.456 1.337 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.466 2.714 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.899 1.017 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.264 -0.739 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.666 -0.265 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.127 0.055 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.016 2.133 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.872 0.899 -8.449 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.432 2.622 -8.515 1.00 0.00 H new ATOM 1011 N CYS A 67 -0.100 2.321 -6.379 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.574 2.056 -6.377 1.00 0.00 C ATOM 1013 C CYS A 67 -2.266 2.964 -7.401 1.00 0.00 C ATOM 1014 O CYS A 67 -3.382 2.710 -7.812 1.00 0.00 O ATOM 1015 CB CYS A 67 -2.053 2.363 -4.957 1.00 0.00 C ATOM 1016 SG CYS A 67 -1.460 1.071 -3.832 1.00 0.00 S ATOM 0 H CYS A 67 0.282 2.664 -5.498 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.807 1.027 -6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.682 3.337 -4.638 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.142 2.412 -4.931 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.605 4.023 -7.823 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.207 4.956 -8.827 1.00 0.00 C ATOM 1023 C LYS A 68 -3.518 5.532 -8.304 1.00 0.00 C ATOM 1024 O LYS A 68 -4.379 5.921 -9.071 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.456 4.113 -10.083 1.00 0.00 C ATOM 1026 CG LYS A 68 -2.433 5.009 -11.320 1.00 0.00 C ATOM 1027 CD LYS A 68 -2.546 4.138 -12.571 1.00 0.00 C ATOM 1028 CE LYS A 68 -2.545 5.026 -13.815 1.00 0.00 C ATOM 1029 NZ LYS A 68 -2.645 4.077 -14.958 1.00 0.00 N ATOM 0 H LYS A 68 -0.668 4.279 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.549 5.800 -9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.694 3.339 -10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.418 3.606 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.256 5.722 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.510 5.588 -11.347 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.714 3.435 -12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.461 3.547 -12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.383 5.723 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.635 5.623 -13.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.650 4.609 -15.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.830 3.431 -14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.524 3.528 -14.877 1.00 0.00 H new ATOM 1043 N MET A 69 -3.678 5.597 -7.006 1.00 0.00 N ATOM 1044 CA MET A 69 -4.943 6.158 -6.443 1.00 0.00 C ATOM 1045 C MET A 69 -4.646 7.154 -5.308 1.00 0.00 C ATOM 1046 O MET A 69 -3.812 6.888 -4.464 1.00 0.00 O ATOM 1047 CB MET A 69 -5.720 4.957 -5.911 1.00 0.00 C ATOM 1048 CG MET A 69 -7.175 5.367 -5.683 1.00 0.00 C ATOM 1049 SD MET A 69 -7.982 5.640 -7.282 1.00 0.00 S ATOM 1050 CE MET A 69 -8.095 3.905 -7.778 1.00 0.00 C ATOM 0 H MET A 69 -2.993 5.288 -6.317 1.00 0.00 H new ATOM 0 HA MET A 69 -5.507 6.706 -7.197 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.668 4.131 -6.620 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.278 4.605 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.700 4.591 -5.126 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.218 6.275 -5.082 1.00 0.00 H new ATOM 0 HE1 MET A 69 -8.960 3.768 -8.427 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.190 3.620 -8.315 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.203 3.280 -6.892 1.00 0.00 H new ATOM 1060 N PRO A 70 -5.334 8.283 -5.318 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.112 9.304 -4.268 1.00 0.00 C ATOM 1062 C PRO A 70 -5.830 8.920 -2.970 1.00 0.00 C ATOM 1063 O PRO A 70 -6.797 8.183 -2.975 1.00 0.00 O ATOM 1064 CB PRO A 70 -5.710 10.573 -4.868 1.00 0.00 C ATOM 1065 CG PRO A 70 -6.741 10.104 -5.847 1.00 0.00 C ATOM 1066 CD PRO A 70 -6.366 8.709 -6.279 1.00 0.00 C ATOM 0 HA PRO A 70 -4.061 9.417 -4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.158 11.199 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.945 11.173 -5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.731 10.109 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.783 10.772 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.228 8.042 -6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.984 8.700 -7.300 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.360 9.428 -1.861 1.00 0.00 N ATOM 1075 CA LEU A 71 -6.000 9.119 -0.545 1.00 0.00 C ATOM 1076 C LEU A 71 -5.945 10.364 0.357 1.00 0.00 C ATOM 1077 O LEU A 71 -5.209 10.387 1.326 1.00 0.00 O ATOM 1078 CB LEU A 71 -5.176 7.972 0.061 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.691 8.358 0.097 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -3.050 7.848 1.389 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -2.976 7.735 -1.105 1.00 0.00 C ATOM 0 H LEU A 71 -4.553 10.050 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.047 8.837 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.528 7.753 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.311 7.065 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.602 9.444 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.996 8.126 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.557 8.291 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.140 6.763 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.921 8.008 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.072 6.650 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.426 8.103 -2.027 1.00 0.00 H new ATOM 1093 N PRO A 72 -6.721 11.371 0.014 1.00 0.00 N ATOM 1094 CA PRO A 72 -6.730 12.618 0.822 1.00 0.00 C ATOM 1095 C PRO A 72 -7.334 12.362 2.207 1.00 0.00 C ATOM 1096 O PRO A 72 -7.134 13.132 3.127 1.00 0.00 O ATOM 1097 CB PRO A 72 -7.602 13.572 0.007 1.00 0.00 C ATOM 1098 CG PRO A 72 -8.473 12.680 -0.816 1.00 0.00 C ATOM 1099 CD PRO A 72 -7.657 11.453 -1.122 1.00 0.00 C ATOM 0 HA PRO A 72 -5.731 13.016 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.196 14.217 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.995 14.223 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.381 12.417 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.783 13.179 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.282 10.563 -1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.129 11.548 -2.071 1.00 0.00 H new ATOM 1107 N THR A 73 -8.070 11.287 2.362 1.00 0.00 N ATOM 1108 CA THR A 73 -8.684 10.982 3.689 1.00 0.00 C ATOM 1109 C THR A 73 -7.609 10.489 4.660 1.00 0.00 C ATOM 1110 O THR A 73 -6.512 10.146 4.260 1.00 0.00 O ATOM 1111 CB THR A 73 -9.703 9.875 3.411 1.00 0.00 C ATOM 1112 OG1 THR A 73 -9.090 8.855 2.635 1.00 0.00 O ATOM 1113 CG2 THR A 73 -10.893 10.454 2.645 1.00 0.00 C ATOM 0 H THR A 73 -8.271 10.610 1.626 1.00 0.00 H new ATOM 0 HA THR A 73 -9.150 11.857 4.142 1.00 0.00 H new ATOM 0 HB THR A 73 -10.051 9.456 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.740 8.144 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.618 9.664 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.363 11.237 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.548 10.874 1.700 1.00 0.00 H new ATOM 1121 N LYS A 74 -7.914 10.457 5.931 1.00 0.00 N ATOM 1122 CA LYS A 74 -6.912 9.993 6.935 1.00 0.00 C ATOM 1123 C LYS A 74 -7.546 8.981 7.891 1.00 0.00 C ATOM 1124 O LYS A 74 -8.743 8.984 8.107 1.00 0.00 O ATOM 1125 CB LYS A 74 -6.494 11.254 7.690 1.00 0.00 C ATOM 1126 CG LYS A 74 -5.745 12.190 6.740 1.00 0.00 C ATOM 1127 CD LYS A 74 -5.322 13.453 7.494 1.00 0.00 C ATOM 1128 CE LYS A 74 -4.570 14.386 6.543 1.00 0.00 C ATOM 1129 NZ LYS A 74 -4.216 15.573 7.370 1.00 0.00 N ATOM 0 H LYS A 74 -8.817 10.733 6.318 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.062 9.496 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.372 11.756 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.858 10.991 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.868 11.686 6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.382 12.454 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.199 13.959 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.687 13.189 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.679 13.905 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.191 14.668 5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.697 16.260 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.085 16.014 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.619 15.275 8.168 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.746 8.117 8.462 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.290 7.101 9.408 1.00 0.00 C ATOM 1145 C LEU A 75 -7.155 7.599 10.847 1.00 0.00 C ATOM 1146 O LEU A 75 -6.082 7.970 11.287 1.00 0.00 O ATOM 1147 CB LEU A 75 -6.428 5.856 9.196 1.00 0.00 C ATOM 1148 CG LEU A 75 -6.993 4.696 10.021 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -8.388 4.328 9.509 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -6.069 3.485 9.894 1.00 0.00 C ATOM 0 H LEU A 75 -5.738 8.073 8.313 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.347 6.900 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.409 5.589 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.399 6.059 9.492 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.061 4.997 11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.786 3.502 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.048 5.190 9.600 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.324 4.029 8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.470 2.658 10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.001 3.188 8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.077 3.744 10.263 1.00 0.00 H new ATOM 1162 N ARG A 76 -8.240 7.615 11.578 1.00 0.00 N ATOM 1163 CA ARG A 76 -8.191 8.095 12.995 1.00 0.00 C ATOM 1164 C ARG A 76 -7.189 7.264 13.816 1.00 0.00 C ATOM 1165 O ARG A 76 -6.907 6.132 13.473 1.00 0.00 O ATOM 1166 CB ARG A 76 -9.617 7.913 13.535 1.00 0.00 C ATOM 1167 CG ARG A 76 -10.015 6.430 13.492 1.00 0.00 C ATOM 1168 CD ARG A 76 -11.514 6.294 13.778 1.00 0.00 C ATOM 1169 NE ARG A 76 -11.605 6.070 15.253 1.00 0.00 N ATOM 1170 CZ ARG A 76 -12.602 5.392 15.781 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -13.706 5.169 15.108 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -12.493 4.941 17.002 1.00 0.00 N ATOM 0 H ARG A 76 -9.160 7.316 11.255 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.862 9.132 13.060 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.676 8.283 14.558 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.316 8.502 12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.781 6.008 12.515 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.441 5.867 14.228 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.056 7.192 13.480 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.948 5.461 13.224 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.880 6.450 15.862 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.804 5.523 14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.467 4.641 15.536 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.642 5.116 17.536 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.259 4.414 17.421 1.00 0.00 H new ATOM 1186 N PRO A 77 -6.685 7.845 14.883 1.00 0.00 N ATOM 1187 CA PRO A 77 -5.718 7.121 15.745 1.00 0.00 C ATOM 1188 C PRO A 77 -6.420 6.002 16.533 1.00 0.00 C ATOM 1189 O PRO A 77 -5.779 5.109 17.056 1.00 0.00 O ATOM 1190 CB PRO A 77 -5.179 8.204 16.676 1.00 0.00 C ATOM 1191 CG PRO A 77 -6.245 9.251 16.715 1.00 0.00 C ATOM 1192 CD PRO A 77 -6.959 9.202 15.390 1.00 0.00 C ATOM 0 HA PRO A 77 -4.928 6.629 15.178 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.981 7.806 17.671 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.239 8.612 16.304 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.939 9.064 17.534 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.811 10.237 16.883 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.029 9.375 15.507 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.585 9.965 14.708 1.00 0.00 H new ATOM 1200 N SER A 78 -7.734 6.043 16.631 1.00 0.00 N ATOM 1201 CA SER A 78 -8.484 4.985 17.391 1.00 0.00 C ATOM 1202 C SER A 78 -7.939 4.861 18.817 1.00 0.00 C ATOM 1203 O SER A 78 -7.868 3.781 19.373 1.00 0.00 O ATOM 1204 CB SER A 78 -8.273 3.683 16.614 1.00 0.00 C ATOM 1205 OG SER A 78 -9.461 3.368 15.900 1.00 0.00 O ATOM 0 H SER A 78 -8.320 6.767 16.215 1.00 0.00 H new ATOM 0 HA SER A 78 -9.543 5.228 17.479 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.436 3.789 15.923 1.00 0.00 H new ATOM 0 HB3 SER A 78 -8.020 2.873 17.299 1.00 0.00 H new ATOM 0 HG SER A 78 -9.331 2.536 15.399 1.00 0.00 H new ATOM 1211 N ALA A 79 -7.554 5.964 19.406 1.00 0.00 N ATOM 1212 CA ALA A 79 -7.010 5.929 20.795 1.00 0.00 C ATOM 1213 C ALA A 79 -7.476 7.161 21.576 1.00 0.00 C ATOM 1214 O ALA A 79 -7.641 8.231 21.022 1.00 0.00 O ATOM 1215 CB ALA A 79 -5.492 5.951 20.622 1.00 0.00 C ATOM 0 H ALA A 79 -7.594 6.891 18.982 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.347 5.054 21.350 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.014 5.927 21.601 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.179 5.081 20.044 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.199 6.860 20.097 1.00 0.00 H new ATOM 1221 N ALA A 80 -7.685 7.015 22.860 1.00 0.00 N ATOM 1222 CA ALA A 80 -8.136 8.173 23.688 1.00 0.00 C ATOM 1223 C ALA A 80 -7.703 7.972 25.150 1.00 0.00 C ATOM 1224 O ALA A 80 -8.490 7.534 25.966 1.00 0.00 O ATOM 1225 CB ALA A 80 -9.661 8.176 23.569 1.00 0.00 C ATOM 0 H ALA A 80 -7.562 6.141 23.371 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.704 9.117 23.356 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.070 9.001 24.152 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.944 8.295 22.523 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.057 7.233 23.947 1.00 0.00 H new ATOM 1231 N PRO A 81 -6.457 8.295 25.441 1.00 0.00 N ATOM 1232 CA PRO A 81 -5.941 8.133 26.826 1.00 0.00 C ATOM 1233 C PRO A 81 -6.594 9.152 27.767 1.00 0.00 C ATOM 1234 O PRO A 81 -6.633 8.959 28.969 1.00 0.00 O ATOM 1235 CB PRO A 81 -4.442 8.389 26.688 1.00 0.00 C ATOM 1236 CG PRO A 81 -4.308 9.235 25.465 1.00 0.00 C ATOM 1237 CD PRO A 81 -5.429 8.844 24.539 1.00 0.00 C ATOM 0 HA PRO A 81 -6.158 7.153 27.251 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.046 8.899 27.566 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.889 7.455 26.585 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.368 10.293 25.719 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.340 9.076 24.989 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.804 9.702 23.981 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.103 8.105 23.807 1.00 0.00 H new ATOM 1245 N THR A 82 -7.107 10.231 27.229 1.00 0.00 N ATOM 1246 CA THR A 82 -7.758 11.266 28.084 1.00 0.00 C ATOM 1247 C THR A 82 -9.197 11.497 27.616 1.00 0.00 C ATOM 1248 O THR A 82 -9.448 11.739 26.452 1.00 0.00 O ATOM 1249 CB THR A 82 -6.919 12.529 27.879 1.00 0.00 C ATOM 1250 OG1 THR A 82 -5.568 12.258 28.221 1.00 0.00 O ATOM 1251 CG2 THR A 82 -7.453 13.653 28.769 1.00 0.00 C ATOM 0 H THR A 82 -7.102 10.438 26.230 1.00 0.00 H new ATOM 0 HA THR A 82 -7.804 10.973 29.133 1.00 0.00 H new ATOM 0 HB THR A 82 -6.978 12.836 26.835 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.029 13.066 28.089 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.853 14.551 28.620 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.490 13.862 28.508 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.397 13.348 29.814 1.00 0.00 H new ATOM 1259 N ALA A 83 -10.139 11.424 28.520 1.00 0.00 N ATOM 1260 CA ALA A 83 -11.567 11.637 28.142 1.00 0.00 C ATOM 1261 C ALA A 83 -12.414 11.848 29.409 1.00 0.00 C ATOM 1262 O ALA A 83 -13.291 11.058 29.701 1.00 0.00 O ATOM 1263 CB ALA A 83 -11.981 10.356 27.413 1.00 0.00 C ATOM 0 H ALA A 83 -9.980 11.225 29.508 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.709 12.517 27.515 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.023 10.435 27.102 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.350 10.217 26.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.866 9.503 28.082 1.00 0.00 H new ATOM 1269 N PRO A 84 -12.125 12.910 30.136 1.00 0.00 N ATOM 1270 CA PRO A 84 -12.881 13.195 31.381 1.00 0.00 C ATOM 1271 C PRO A 84 -14.293 13.705 31.054 1.00 0.00 C ATOM 1272 O PRO A 84 -14.507 14.278 30.004 1.00 0.00 O ATOM 1273 CB PRO A 84 -12.058 14.284 32.064 1.00 0.00 C ATOM 1274 CG PRO A 84 -11.306 14.955 30.961 1.00 0.00 C ATOM 1275 CD PRO A 84 -11.092 13.929 29.877 1.00 0.00 C ATOM 0 HA PRO A 84 -13.015 12.312 32.006 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -12.699 14.991 32.590 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.378 13.859 32.803 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.866 15.808 30.578 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.351 15.337 31.323 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.205 14.368 28.885 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.090 13.502 29.925 1.00 0.00 H new ATOM 1283 N PRO A 85 -15.220 13.485 31.964 1.00 0.00 N ATOM 1284 CA PRO A 85 -16.613 13.943 31.739 1.00 0.00 C ATOM 1285 C PRO A 85 -16.699 15.467 31.860 1.00 0.00 C ATOM 1286 O PRO A 85 -15.907 16.089 32.541 1.00 0.00 O ATOM 1287 CB PRO A 85 -17.403 13.262 32.854 1.00 0.00 C ATOM 1288 CG PRO A 85 -16.404 13.015 33.937 1.00 0.00 C ATOM 1289 CD PRO A 85 -15.071 12.810 33.266 1.00 0.00 C ATOM 0 HA PRO A 85 -16.990 13.695 30.747 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.218 13.896 33.205 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.850 12.330 32.509 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -16.364 13.860 34.625 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.680 12.139 34.524 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.259 13.244 33.850 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.845 11.751 33.143 1.00 0.00 H new ATOM 1297 N THR A 86 -17.661 16.066 31.207 1.00 0.00 N ATOM 1298 CA THR A 86 -17.814 17.551 31.283 1.00 0.00 C ATOM 1299 C THR A 86 -19.298 17.924 31.224 1.00 0.00 C ATOM 1300 O THR A 86 -20.115 17.166 30.736 1.00 0.00 O ATOM 1301 CB THR A 86 -17.066 18.105 30.063 1.00 0.00 C ATOM 1302 OG1 THR A 86 -17.206 19.519 30.031 1.00 0.00 O ATOM 1303 CG2 THR A 86 -17.646 17.511 28.776 1.00 0.00 C ATOM 0 H THR A 86 -18.349 15.590 30.623 1.00 0.00 H new ATOM 0 HA THR A 86 -17.416 17.959 32.212 1.00 0.00 H new ATOM 0 HB THR A 86 -16.012 17.836 30.137 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.728 19.878 29.254 1.00 0.00 H new ATOM 0 HG21 THR A 86 -17.108 17.911 27.916 1.00 0.00 H new ATOM 0 HG22 THR A 86 -17.542 16.426 28.797 1.00 0.00 H new ATOM 0 HG23 THR A 86 -18.701 17.773 28.698 1.00 0.00 H new ATOM 1311 N GLY A 87 -19.648 19.083 31.717 1.00 0.00 N ATOM 1312 CA GLY A 87 -21.079 19.509 31.691 1.00 0.00 C ATOM 1313 C GLY A 87 -21.190 20.976 32.105 1.00 0.00 C ATOM 1314 O GLY A 87 -21.966 21.728 31.545 1.00 0.00 O ATOM 0 H GLY A 87 -19.004 19.754 32.137 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -21.491 19.372 30.691 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -21.666 18.886 32.366 1.00 0.00 H new ATOM 1318 N ALA A 88 -20.423 21.392 33.085 1.00 0.00 N ATOM 1319 CA ALA A 88 -20.477 22.816 33.553 1.00 0.00 C ATOM 1320 C ALA A 88 -21.919 23.223 33.878 1.00 0.00 C ATOM 1321 O ALA A 88 -22.396 24.256 33.445 1.00 0.00 O ATOM 1322 CB ALA A 88 -19.929 23.651 32.391 1.00 0.00 C ATOM 0 H ALA A 88 -19.757 20.803 33.585 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.897 22.963 34.464 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.939 24.706 32.664 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -18.907 23.343 32.172 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -20.551 23.499 31.509 1.00 0.00 H new ATOM 1328 N ALA A 89 -22.612 22.412 34.637 1.00 0.00 N ATOM 1329 CA ALA A 89 -24.026 22.737 34.997 1.00 0.00 C ATOM 1330 C ALA A 89 -24.075 24.041 35.797 1.00 0.00 C ATOM 1331 O ALA A 89 -24.986 24.834 35.647 1.00 0.00 O ATOM 1332 CB ALA A 89 -24.506 21.564 35.855 1.00 0.00 C ATOM 0 H ALA A 89 -22.259 21.537 35.024 1.00 0.00 H new ATOM 0 HA ALA A 89 -24.653 22.875 34.116 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -25.539 21.733 36.157 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -24.443 20.641 35.278 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.878 21.481 36.742 1.00 0.00 H new ATOM 1338 N ASP A 90 -23.102 24.266 36.643 1.00 0.00 N ATOM 1339 CA ASP A 90 -23.086 25.519 37.456 1.00 0.00 C ATOM 1340 C ASP A 90 -22.807 26.729 36.558 1.00 0.00 C ATOM 1341 O ASP A 90 -21.779 26.806 35.912 1.00 0.00 O ATOM 1342 CB ASP A 90 -21.956 25.333 38.476 1.00 0.00 C ATOM 1343 CG ASP A 90 -20.623 25.107 37.754 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -20.542 24.172 36.975 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -19.709 25.880 37.985 1.00 0.00 O ATOM 0 H ASP A 90 -22.317 23.635 36.806 1.00 0.00 H new ATOM 0 HA ASP A 90 -24.043 25.699 37.946 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -21.886 26.212 39.117 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -22.176 24.484 39.123 1.00 0.00 H new ATOM 1350 N SER A 91 -23.713 27.674 36.520 1.00 0.00 N ATOM 1351 CA SER A 91 -23.498 28.882 35.668 1.00 0.00 C ATOM 1352 C SER A 91 -22.393 29.751 36.267 1.00 0.00 C ATOM 1353 O SER A 91 -22.290 29.896 37.470 1.00 0.00 O ATOM 1354 CB SER A 91 -24.834 29.629 35.677 1.00 0.00 C ATOM 1355 OG SER A 91 -24.704 30.827 34.922 1.00 0.00 O ATOM 0 H SER A 91 -24.590 27.661 37.041 1.00 0.00 H new ATOM 0 HA SER A 91 -23.191 28.622 34.655 1.00 0.00 H new ATOM 0 HB2 SER A 91 -25.618 29.001 35.254 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.128 29.860 36.701 1.00 0.00 H new ATOM 0 HG SER A 91 -25.558 31.309 34.923 1.00 0.00 H new ATOM 1361 N ILE A 92 -21.570 30.332 35.433 1.00 0.00 N ATOM 1362 CA ILE A 92 -20.468 31.198 35.945 1.00 0.00 C ATOM 1363 C ILE A 92 -20.451 32.527 35.185 1.00 0.00 C ATOM 1364 O ILE A 92 -20.669 32.572 33.989 1.00 0.00 O ATOM 1365 CB ILE A 92 -19.179 30.401 35.705 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -17.990 31.191 36.259 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -18.978 30.151 34.207 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -16.750 30.295 36.295 1.00 0.00 C ATOM 0 H ILE A 92 -21.614 30.244 34.418 1.00 0.00 H new ATOM 0 HA ILE A 92 -20.587 31.444 37.000 1.00 0.00 H new ATOM 0 HB ILE A 92 -19.254 29.439 36.212 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -17.801 32.066 35.637 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -18.217 31.555 37.261 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -18.060 29.585 34.053 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -19.823 29.585 33.816 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -18.908 31.105 33.685 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -15.905 30.859 36.690 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -16.942 29.434 36.935 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -16.519 29.953 35.286 1.00 0.00 H new ATOM 1380 N ARG A 93 -20.198 33.610 35.875 1.00 0.00 N ATOM 1381 CA ARG A 93 -20.166 34.953 35.211 1.00 0.00 C ATOM 1382 C ARG A 93 -19.806 36.040 36.241 1.00 0.00 C ATOM 1383 O ARG A 93 -18.821 36.733 36.071 1.00 0.00 O ATOM 1384 CB ARG A 93 -21.582 35.188 34.657 1.00 0.00 C ATOM 1385 CG ARG A 93 -21.569 35.118 33.128 1.00 0.00 C ATOM 1386 CD ARG A 93 -22.613 36.091 32.574 1.00 0.00 C ATOM 1387 NE ARG A 93 -22.031 37.446 32.791 1.00 0.00 N ATOM 1388 CZ ARG A 93 -22.554 38.482 32.197 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -22.665 38.499 30.896 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -22.967 39.500 32.901 1.00 0.00 N ATOM 0 H ARG A 93 -20.011 33.624 36.878 1.00 0.00 H new ATOM 0 HA ARG A 93 -19.419 34.993 34.418 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -22.266 34.439 35.057 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -21.950 36.161 34.981 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -20.579 35.372 32.748 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -21.787 34.103 32.796 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -22.802 35.907 31.516 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -23.566 35.983 33.091 1.00 0.00 H new ATOM 0 HE ARG A 93 -21.224 37.563 33.404 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -22.343 37.703 30.346 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -23.074 39.309 30.430 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -22.881 39.486 33.917 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -23.376 40.310 32.435 1.00 0.00 H new ATOM 1404 N PRO A 94 -20.613 36.171 37.279 1.00 0.00 N ATOM 1405 CA PRO A 94 -20.337 37.202 38.310 1.00 0.00 C ATOM 1406 C PRO A 94 -19.130 36.796 39.170 1.00 0.00 C ATOM 1407 O PRO A 94 -18.804 35.628 39.255 1.00 0.00 O ATOM 1408 CB PRO A 94 -21.608 37.229 39.152 1.00 0.00 C ATOM 1409 CG PRO A 94 -22.221 35.880 38.971 1.00 0.00 C ATOM 1410 CD PRO A 94 -21.830 35.399 37.598 1.00 0.00 C ATOM 0 HA PRO A 94 -20.095 38.174 37.879 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -21.382 37.422 40.201 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -22.284 38.017 38.821 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.867 35.190 39.737 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -23.305 35.933 39.067 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -21.635 34.327 37.592 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -22.621 35.583 36.871 1.00 0.00 H new ATOM 1418 N PRO A 95 -18.503 37.773 39.789 1.00 0.00 N ATOM 1419 CA PRO A 95 -17.328 37.485 40.649 1.00 0.00 C ATOM 1420 C PRO A 95 -17.770 36.822 41.965 1.00 0.00 C ATOM 1421 O PRO A 95 -18.889 37.014 42.401 1.00 0.00 O ATOM 1422 CB PRO A 95 -16.731 38.864 40.917 1.00 0.00 C ATOM 1423 CG PRO A 95 -17.866 39.821 40.749 1.00 0.00 C ATOM 1424 CD PRO A 95 -18.814 39.213 39.750 1.00 0.00 C ATOM 0 HA PRO A 95 -16.620 36.799 40.184 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.311 38.923 41.921 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.923 39.085 40.220 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.368 39.994 41.701 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.506 40.788 40.399 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.853 39.404 40.019 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -18.662 39.627 38.753 1.00 0.00 H new ATOM 1432 N PRO A 96 -16.877 36.062 42.567 1.00 0.00 N ATOM 1433 CA PRO A 96 -17.208 35.386 43.847 1.00 0.00 C ATOM 1434 C PRO A 96 -17.276 36.411 44.984 1.00 0.00 C ATOM 1435 O PRO A 96 -16.583 37.411 44.965 1.00 0.00 O ATOM 1436 CB PRO A 96 -16.046 34.417 44.054 1.00 0.00 C ATOM 1437 CG PRO A 96 -14.907 35.015 43.295 1.00 0.00 C ATOM 1438 CD PRO A 96 -15.501 35.765 42.132 1.00 0.00 C ATOM 0 HA PRO A 96 -18.174 34.882 43.831 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -15.804 34.311 45.111 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.290 33.422 43.681 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.328 35.685 43.931 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -14.226 34.239 42.946 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.944 36.677 41.919 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -15.490 35.165 41.222 1.00 0.00 H new ATOM 1446 N TYR A 97 -18.101 36.168 45.971 1.00 0.00 N ATOM 1447 CA TYR A 97 -18.208 37.128 47.113 1.00 0.00 C ATOM 1448 C TYR A 97 -16.868 37.230 47.844 1.00 0.00 C ATOM 1449 O TYR A 97 -16.437 38.304 48.223 1.00 0.00 O ATOM 1450 CB TYR A 97 -19.280 36.546 48.036 1.00 0.00 C ATOM 1451 CG TYR A 97 -20.629 36.659 47.369 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -21.340 37.864 47.428 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -21.169 35.561 46.686 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -22.588 37.973 46.805 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -22.417 35.670 46.063 1.00 0.00 C ATOM 1456 CZ TYR A 97 -23.127 36.875 46.122 1.00 0.00 C ATOM 1457 OH TYR A 97 -24.357 36.982 45.507 1.00 0.00 O ATOM 0 H TYR A 97 -18.704 35.348 46.036 1.00 0.00 H new ATOM 0 HA TYR A 97 -18.467 38.133 46.779 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -19.058 35.502 48.257 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -19.286 37.079 48.987 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -20.925 38.710 47.955 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -20.622 34.631 46.641 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -23.135 38.903 46.851 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -22.833 34.824 45.536 1.00 0.00 H new ATOM 0 HH TYR A 97 -24.583 36.131 45.078 1.00 0.00 H new ATOM 1467 N SER A 98 -16.206 36.115 48.051 1.00 0.00 N ATOM 1468 CA SER A 98 -14.886 36.125 48.766 1.00 0.00 C ATOM 1469 C SER A 98 -15.019 36.840 50.123 1.00 0.00 C ATOM 1470 O SER A 98 -14.642 37.989 50.249 1.00 0.00 O ATOM 1471 CB SER A 98 -13.923 36.880 47.844 1.00 0.00 C ATOM 1472 OG SER A 98 -14.105 36.434 46.506 1.00 0.00 O ATOM 0 H SER A 98 -16.525 35.193 47.754 1.00 0.00 H new ATOM 0 HA SER A 98 -14.528 35.117 48.975 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.105 37.953 47.910 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.893 36.711 48.159 1.00 0.00 H new ATOM 0 HG SER A 98 -14.855 36.916 46.100 1.00 0.00 H new ATOM 1478 N PRO A 99 -15.564 36.143 51.101 1.00 0.00 N ATOM 1479 CA PRO A 99 -15.746 36.749 52.444 1.00 0.00 C ATOM 1480 C PRO A 99 -14.404 36.856 53.174 1.00 0.00 C ATOM 1481 O PRO A 99 -13.539 36.039 52.905 1.00 0.00 O ATOM 1482 CB PRO A 99 -16.676 35.771 53.159 1.00 0.00 C ATOM 1483 CG PRO A 99 -16.462 34.458 52.477 1.00 0.00 C ATOM 1484 CD PRO A 99 -16.052 34.752 51.057 1.00 0.00 C ATOM 1485 OXT PRO A 99 -14.267 37.752 53.990 1.00 0.00 O ATOM 0 HA PRO A 99 -16.149 37.761 52.402 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -16.439 35.707 54.221 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -17.716 36.089 53.083 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -15.691 33.881 52.988 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -17.374 33.861 52.498 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -15.274 34.068 50.717 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -16.892 34.646 50.370 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.358 -2.288 -2.177 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 0.547 1.121 -2.698 1.00 0.00 ZN