USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 835 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 Single : X 1 MET CE :methyl -141:sc= -0.0427 (180deg=-0.669) USER MOD Single : X 1 MET N :NH3+ -168:sc= 0 (180deg=-0.186) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : X 6 SER OG : rot 180:sc= -0.367 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : X 16 LYS NZ :NH3+ 159:sc= -3.78! (180deg=-4.49!) USER MOD Single : X 17 GLN : amide:sc= -0.452 K(o=-0.45,f=-2.7!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -16:sc= 0.473 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -143:sc= -3.09! (180deg=-4.04!) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 158:sc= 0.222 (180deg=0.0723) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : X 42 CYS SG : rot 180:sc= -3.08! USER MOD Single : X 47 GLN : amide:sc= -0.796 K(o=-0.8,f=-2.1) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ -158:sc= -5.04! (180deg=-5.62!) USER MOD Single : X 62 CYS SG : rot 75:sc= 0.49 USER MOD Single : X 64 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -3.21! C(o=-3.2!,f=-7.8!) USER MOD Single : X 69 THR OG1 : rot 97:sc= 0.809 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.578 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 114:sc= 1.26 USER MOD Single : X 84 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.8!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ -160:sc= -0.0905 (180deg=-0.576) USER MOD Single : X 96 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.3) USER MOD Single : X 98 GLN : amide:sc= -2.17! C(o=-2.2!,f=-3.4!) USER MOD Single : X 100 MET CE :methyl -173:sc= 0 (180deg=-0.0225) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.132 -6.977 -0.642 1.00 1.00 N ATOM 2 CA MET X 1 71.618 -8.303 -0.165 1.00 1.00 C ATOM 3 C MET X 1 71.347 -9.359 -1.239 1.00 1.00 C ATOM 4 O MET X 1 71.996 -9.394 -2.266 1.00 1.00 O ATOM 5 CB MET X 1 70.880 -8.683 1.120 1.00 1.00 C ATOM 6 CG MET X 1 71.301 -7.739 2.248 1.00 1.00 C ATOM 7 SD MET X 1 70.584 -8.308 3.810 1.00 1.00 S ATOM 8 CE MET X 1 68.868 -7.866 3.446 1.00 1.00 C ATOM 0 H1 MET X 1 71.491 -6.229 -0.015 1.00 1.00 H new ATOM 0 H2 MET X 1 71.473 -6.810 -1.610 1.00 1.00 H new ATOM 0 H3 MET X 1 70.092 -6.965 -0.634 1.00 1.00 H new ATOM 0 HA MET X 1 72.689 -8.250 0.033 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.803 -8.623 0.965 1.00 1.00 H new ATOM 0 HB3 MET X 1 71.106 -9.714 1.391 1.00 1.00 H new ATOM 0 HG2 MET X 1 72.388 -7.708 2.324 1.00 1.00 H new ATOM 0 HG3 MET X 1 70.968 -6.724 2.031 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.396 -7.469 4.345 1.00 1.00 H new ATOM 0 HE2 MET X 1 68.846 -7.110 2.661 1.00 1.00 H new ATOM 0 HE3 MET X 1 68.327 -8.752 3.113 1.00 1.00 H new ATOM 20 N GLY X 2 70.395 -10.223 -1.009 1.00 1.00 N ATOM 21 CA GLY X 2 70.079 -11.269 -2.022 1.00 1.00 C ATOM 22 C GLY X 2 71.058 -12.436 -1.876 1.00 1.00 C ATOM 23 O GLY X 2 71.108 -13.325 -2.703 1.00 1.00 O ATOM 0 H GLY X 2 69.824 -10.249 -0.164 1.00 1.00 H new ATOM 0 HA2 GLY X 2 69.056 -11.621 -1.890 1.00 1.00 H new ATOM 0 HA3 GLY X 2 70.145 -10.849 -3.026 1.00 1.00 H new ATOM 27 N GLN X 3 71.838 -12.441 -0.829 1.00 1.00 N ATOM 28 CA GLN X 3 72.816 -13.548 -0.633 1.00 1.00 C ATOM 29 C GLN X 3 72.671 -14.113 0.781 1.00 1.00 C ATOM 30 O GLN X 3 72.305 -13.414 1.705 1.00 1.00 O ATOM 31 CB GLN X 3 74.237 -13.013 -0.826 1.00 1.00 C ATOM 32 CG GLN X 3 74.452 -12.650 -2.297 1.00 1.00 C ATOM 33 CD GLN X 3 75.838 -12.025 -2.473 1.00 1.00 C ATOM 34 OE1 GLN X 3 76.283 -11.262 -1.639 1.00 1.00 O ATOM 35 NE2 GLN X 3 76.542 -12.319 -3.530 1.00 1.00 N ATOM 0 H GLN X 3 71.840 -11.726 -0.101 1.00 1.00 H new ATOM 0 HA GLN X 3 72.623 -14.337 -1.360 1.00 1.00 H new ATOM 0 HB2 GLN X 3 74.395 -12.137 -0.198 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.964 -13.763 -0.516 1.00 1.00 H new ATOM 0 HG2 GLN X 3 74.362 -13.541 -2.919 1.00 1.00 H new ATOM 0 HG3 GLN X 3 73.682 -11.952 -2.626 1.00 1.00 H new ATOM 0 HE21 GLN X 3 76.168 -12.960 -4.230 1.00 1.00 H new ATOM 0 HE22 GLN X 3 77.467 -11.908 -3.657 1.00 1.00 H new ATOM 44 N GLU X 4 72.953 -15.375 0.957 1.00 1.00 N ATOM 45 CA GLU X 4 72.834 -15.983 2.313 1.00 1.00 C ATOM 46 C GLU X 4 73.715 -15.213 3.299 1.00 1.00 C ATOM 47 O GLU X 4 74.821 -14.825 2.985 1.00 1.00 O ATOM 48 CB GLU X 4 73.289 -17.444 2.258 1.00 1.00 C ATOM 49 CG GLU X 4 72.300 -18.256 1.420 1.00 1.00 C ATOM 50 CD GLU X 4 72.750 -19.717 1.372 1.00 1.00 C ATOM 51 OE1 GLU X 4 73.730 -20.036 2.025 1.00 1.00 O ATOM 52 OE2 GLU X 4 72.109 -20.492 0.682 1.00 1.00 O ATOM 0 H GLU X 4 73.260 -16.011 0.221 1.00 1.00 H new ATOM 0 HA GLU X 4 71.796 -15.936 2.641 1.00 1.00 H new ATOM 0 HB2 GLU X 4 74.287 -17.509 1.825 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.351 -17.855 3.266 1.00 1.00 H new ATOM 0 HG2 GLU X 4 71.301 -18.186 1.849 1.00 1.00 H new ATOM 0 HG3 GLU X 4 72.242 -17.849 0.411 1.00 1.00 H new ATOM 59 N LEU X 5 73.229 -14.987 4.489 1.00 1.00 N ATOM 60 CA LEU X 5 74.040 -14.246 5.496 1.00 1.00 C ATOM 61 C LEU X 5 74.862 -15.237 6.321 1.00 1.00 C ATOM 62 O LEU X 5 74.349 -15.910 7.193 1.00 1.00 O ATOM 63 CB LEU X 5 73.110 -13.458 6.422 1.00 1.00 C ATOM 64 CG LEU X 5 72.550 -12.246 5.674 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.452 -11.590 6.514 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.675 -11.237 5.427 1.00 1.00 C ATOM 0 H LEU X 5 72.306 -15.283 4.807 1.00 1.00 H new ATOM 0 HA LEU X 5 74.711 -13.557 4.984 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.295 -14.096 6.764 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.654 -13.132 7.309 1.00 1.00 H new ATOM 0 HG LEU X 5 72.133 -12.568 4.720 1.00 1.00 H new ATOM 0 HD11 LEU X 5 71.053 -10.727 5.981 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.652 -12.308 6.692 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.868 -11.267 7.468 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.278 -10.373 4.894 1.00 1.00 H new ATOM 0 HD22 LEU X 5 74.091 -10.915 6.382 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.458 -11.704 4.829 1.00 1.00 H new ATOM 78 N SER X 6 76.137 -15.331 6.055 1.00 1.00 N ATOM 79 CA SER X 6 76.992 -16.280 6.823 1.00 1.00 C ATOM 80 C SER X 6 77.407 -15.638 8.149 1.00 1.00 C ATOM 81 O SER X 6 77.223 -14.456 8.361 1.00 1.00 O ATOM 82 CB SER X 6 78.241 -16.615 6.007 1.00 1.00 C ATOM 83 OG SER X 6 78.830 -15.410 5.535 1.00 1.00 O ATOM 0 H SER X 6 76.623 -14.791 5.339 1.00 1.00 H new ATOM 0 HA SER X 6 76.431 -17.193 7.022 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.954 -17.166 6.621 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.979 -17.259 5.167 1.00 1.00 H new ATOM 0 HG SER X 6 79.632 -15.621 5.013 1.00 1.00 H new ATOM 89 N GLN X 7 77.966 -16.407 9.043 1.00 1.00 N ATOM 90 CA GLN X 7 78.385 -15.840 10.355 1.00 1.00 C ATOM 91 C GLN X 7 79.294 -14.632 10.122 1.00 1.00 C ATOM 92 O GLN X 7 79.187 -13.624 10.791 1.00 1.00 O ATOM 93 CB GLN X 7 79.144 -16.904 11.153 1.00 1.00 C ATOM 94 CG GLN X 7 78.195 -18.047 11.516 1.00 1.00 C ATOM 95 CD GLN X 7 78.953 -19.104 12.324 1.00 1.00 C ATOM 96 OE1 GLN X 7 80.100 -18.910 12.675 1.00 1.00 O ATOM 97 NE2 GLN X 7 78.355 -20.221 12.636 1.00 1.00 N ATOM 0 H GLN X 7 78.150 -17.403 8.921 1.00 1.00 H new ATOM 0 HA GLN X 7 77.503 -15.528 10.914 1.00 1.00 H new ATOM 0 HB2 GLN X 7 79.981 -17.285 10.567 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.563 -16.464 12.058 1.00 1.00 H new ATOM 0 HG2 GLN X 7 77.354 -17.665 12.095 1.00 1.00 H new ATOM 0 HG3 GLN X 7 77.783 -18.493 10.611 1.00 1.00 H new ATOM 0 HE21 GLN X 7 77.392 -20.384 12.341 1.00 1.00 H new ATOM 0 HE22 GLN X 7 78.850 -20.932 13.175 1.00 1.00 H new ATOM 106 N HIS X 8 80.187 -14.725 9.175 1.00 1.00 N ATOM 107 CA HIS X 8 81.104 -13.583 8.900 1.00 1.00 C ATOM 108 C HIS X 8 80.299 -12.399 8.361 1.00 1.00 C ATOM 109 O HIS X 8 80.476 -11.273 8.783 1.00 1.00 O ATOM 110 CB HIS X 8 82.145 -14.004 7.861 1.00 1.00 C ATOM 111 CG HIS X 8 83.101 -12.867 7.619 1.00 1.00 C ATOM 112 ND1 HIS X 8 84.072 -12.508 8.544 1.00 1.00 N ATOM 113 CD2 HIS X 8 83.248 -12.000 6.564 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.755 -11.466 8.032 1.00 1.00 C ATOM 115 NE2 HIS X 8 84.291 -11.120 6.829 1.00 1.00 N ATOM 0 H HIS X 8 80.321 -15.542 8.580 1.00 1.00 H new ATOM 0 HA HIS X 8 81.606 -13.292 9.822 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.688 -14.882 8.210 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.652 -14.284 6.930 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.646 -12.002 5.667 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.575 -10.972 8.532 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.631 -10.368 6.230 1.00 1.00 H new ATOM 123 N GLU X 9 79.414 -12.642 7.434 1.00 1.00 N ATOM 124 CA GLU X 9 78.604 -11.528 6.867 1.00 1.00 C ATOM 125 C GLU X 9 77.741 -10.913 7.971 1.00 1.00 C ATOM 126 O GLU X 9 77.517 -9.720 8.007 1.00 1.00 O ATOM 127 CB GLU X 9 77.703 -12.067 5.754 1.00 1.00 C ATOM 128 CG GLU X 9 78.559 -12.456 4.547 1.00 1.00 C ATOM 129 CD GLU X 9 77.659 -13.014 3.443 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.453 -12.881 3.565 1.00 1.00 O ATOM 131 OE2 GLU X 9 78.192 -13.564 2.493 1.00 1.00 O ATOM 0 H GLU X 9 79.217 -13.564 7.045 1.00 1.00 H new ATOM 0 HA GLU X 9 79.268 -10.766 6.458 1.00 1.00 H new ATOM 0 HB2 GLU X 9 77.144 -12.932 6.111 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.972 -11.312 5.466 1.00 1.00 H new ATOM 0 HG2 GLU X 9 79.106 -11.587 4.181 1.00 1.00 H new ATOM 0 HG3 GLU X 9 79.300 -13.200 4.838 1.00 1.00 H new ATOM 138 N ARG X 10 77.256 -11.720 8.875 1.00 1.00 N ATOM 139 CA ARG X 10 76.410 -11.185 9.978 1.00 1.00 C ATOM 140 C ARG X 10 77.250 -10.268 10.870 1.00 1.00 C ATOM 141 O ARG X 10 76.777 -9.264 11.363 1.00 1.00 O ATOM 142 CB ARG X 10 75.866 -12.347 10.813 1.00 1.00 C ATOM 143 CG ARG X 10 74.812 -13.107 10.004 1.00 1.00 C ATOM 144 CD ARG X 10 74.340 -14.327 10.797 1.00 1.00 C ATOM 145 NE ARG X 10 73.269 -15.031 10.037 1.00 1.00 N ATOM 146 CZ ARG X 10 72.823 -16.185 10.454 1.00 1.00 C ATOM 147 NH1 ARG X 10 73.314 -16.721 11.539 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.885 -16.801 9.788 1.00 1.00 N ATOM 0 H ARG X 10 77.410 -12.728 8.897 1.00 1.00 H new ATOM 0 HA ARG X 10 75.580 -10.619 9.555 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.678 -13.018 11.094 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.429 -11.971 11.738 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.967 -12.454 9.784 1.00 1.00 H new ATOM 0 HG3 ARG X 10 75.230 -13.421 9.048 1.00 1.00 H new ATOM 0 HD2 ARG X 10 75.176 -15.002 10.977 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.965 -14.017 11.772 1.00 1.00 H new ATOM 0 HE ARG X 10 72.884 -14.611 9.191 1.00 1.00 H new ATOM 0 HH11 ARG X 10 74.046 -16.238 12.060 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.966 -17.623 11.865 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.500 -16.381 8.942 1.00 1.00 H new ATOM 0 HH22 ARG X 10 71.536 -17.703 10.114 1.00 1.00 H new ATOM 162 N TYR X 11 78.492 -10.606 11.084 1.00 1.00 N ATOM 163 CA TYR X 11 79.359 -9.749 11.940 1.00 1.00 C ATOM 164 C TYR X 11 79.488 -8.363 11.306 1.00 1.00 C ATOM 165 O TYR X 11 79.441 -7.354 11.982 1.00 1.00 O ATOM 166 CB TYR X 11 80.746 -10.385 12.062 1.00 1.00 C ATOM 167 CG TYR X 11 81.665 -9.447 12.807 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.710 -9.475 14.206 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.473 -8.549 12.098 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.563 -8.606 14.897 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.326 -7.680 12.789 1.00 1.00 C ATOM 172 CZ TYR X 11 83.371 -7.709 14.188 1.00 1.00 C ATOM 173 OH TYR X 11 84.212 -6.852 14.869 1.00 1.00 O ATOM 0 H TYR X 11 78.943 -11.438 10.703 1.00 1.00 H new ATOM 0 HA TYR X 11 78.914 -9.657 12.931 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.676 -11.337 12.588 1.00 1.00 H new ATOM 0 HB3 TYR X 11 81.149 -10.597 11.072 1.00 1.00 H new ATOM 0 HD1 TYR X 11 81.087 -10.167 14.752 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.438 -8.527 11.019 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.598 -8.628 15.976 1.00 1.00 H new ATOM 0 HE2 TYR X 11 83.949 -6.987 12.243 1.00 1.00 H new ATOM 0 HH TYR X 11 84.703 -6.297 14.228 1.00 1.00 H new ATOM 183 N VAL X 12 79.652 -8.303 10.012 1.00 1.00 N ATOM 184 CA VAL X 12 79.780 -6.979 9.339 1.00 1.00 C ATOM 185 C VAL X 12 78.519 -6.155 9.601 1.00 1.00 C ATOM 186 O VAL X 12 78.583 -4.977 9.891 1.00 1.00 O ATOM 187 CB VAL X 12 79.947 -7.184 7.833 1.00 1.00 C ATOM 188 CG1 VAL X 12 80.391 -5.871 7.187 1.00 1.00 C ATOM 189 CG2 VAL X 12 81.008 -8.258 7.582 1.00 1.00 C ATOM 0 H VAL X 12 79.703 -9.112 9.393 1.00 1.00 H new ATOM 0 HA VAL X 12 80.650 -6.454 9.732 1.00 1.00 H new ATOM 0 HB VAL X 12 78.998 -7.500 7.400 1.00 1.00 H new ATOM 0 HG11 VAL X 12 80.510 -6.016 6.113 1.00 1.00 H new ATOM 0 HG12 VAL X 12 79.638 -5.104 7.368 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.341 -5.556 7.619 1.00 1.00 H new ATOM 0 HG21 VAL X 12 81.129 -8.406 6.509 1.00 1.00 H new ATOM 0 HG22 VAL X 12 81.957 -7.940 8.014 1.00 1.00 H new ATOM 0 HG23 VAL X 12 80.695 -9.194 8.044 1.00 1.00 H new ATOM 199 N GLU X 13 77.370 -6.766 9.502 1.00 1.00 N ATOM 200 CA GLU X 13 76.107 -6.017 9.740 1.00 1.00 C ATOM 201 C GLU X 13 76.149 -5.382 11.130 1.00 1.00 C ATOM 202 O GLU X 13 75.835 -4.220 11.301 1.00 1.00 O ATOM 203 CB GLU X 13 74.919 -6.977 9.652 1.00 1.00 C ATOM 204 CG GLU X 13 73.615 -6.189 9.795 1.00 1.00 C ATOM 205 CD GLU X 13 72.426 -7.147 9.707 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.648 -8.344 9.778 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.312 -6.667 9.569 1.00 1.00 O ATOM 0 H GLU X 13 77.253 -7.752 9.267 1.00 1.00 H new ATOM 0 HA GLU X 13 75.998 -5.237 8.986 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.934 -7.505 8.699 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.988 -7.731 10.436 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.600 -5.661 10.748 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.546 -5.434 9.011 1.00 1.00 H new ATOM 214 N GLN X 14 76.534 -6.132 12.128 1.00 1.00 N ATOM 215 CA GLN X 14 76.603 -5.557 13.499 1.00 1.00 C ATOM 216 C GLN X 14 77.660 -4.454 13.520 1.00 1.00 C ATOM 217 O GLN X 14 77.501 -3.441 14.172 1.00 1.00 O ATOM 218 CB GLN X 14 76.990 -6.654 14.494 1.00 1.00 C ATOM 219 CG GLN X 14 76.919 -6.100 15.919 1.00 1.00 C ATOM 220 CD GLN X 14 77.335 -7.187 16.912 1.00 1.00 C ATOM 221 OE1 GLN X 14 78.222 -7.971 16.636 1.00 1.00 O ATOM 222 NE2 GLN X 14 76.728 -7.269 18.064 1.00 1.00 N ATOM 0 H GLN X 14 76.802 -7.113 12.052 1.00 1.00 H new ATOM 0 HA GLN X 14 75.633 -5.145 13.777 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.319 -7.507 14.390 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.997 -7.013 14.282 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.574 -5.234 16.017 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.907 -5.761 16.138 1.00 1.00 H new ATOM 0 HE21 GLN X 14 75.984 -6.611 18.296 1.00 1.00 H new ATOM 0 HE22 GLN X 14 76.998 -7.991 18.732 1.00 1.00 H new ATOM 231 N LEU X 15 78.743 -4.647 12.821 1.00 1.00 N ATOM 232 CA LEU X 15 79.809 -3.608 12.805 1.00 1.00 C ATOM 233 C LEU X 15 79.242 -2.331 12.185 1.00 1.00 C ATOM 234 O LEU X 15 79.494 -1.236 12.650 1.00 1.00 O ATOM 235 CB LEU X 15 80.993 -4.102 11.971 1.00 1.00 C ATOM 236 CG LEU X 15 82.032 -2.987 11.853 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.493 -2.567 13.251 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.232 -3.494 11.051 1.00 1.00 C ATOM 0 H LEU X 15 78.936 -5.478 12.261 1.00 1.00 H new ATOM 0 HA LEU X 15 80.148 -3.408 13.821 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.438 -4.981 12.437 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.653 -4.404 10.980 1.00 1.00 H new ATOM 0 HG LEU X 15 81.590 -2.130 11.345 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.234 -1.772 13.166 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.638 -2.207 13.823 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.936 -3.423 13.760 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.974 -2.700 10.966 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.674 -4.351 11.560 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.904 -3.793 10.055 1.00 1.00 H new ATOM 250 N LYS X 16 78.476 -2.465 11.136 1.00 1.00 N ATOM 251 CA LYS X 16 77.886 -1.266 10.479 1.00 1.00 C ATOM 252 C LYS X 16 77.011 -0.514 11.482 1.00 1.00 C ATOM 253 O LYS X 16 76.974 0.701 11.499 1.00 1.00 O ATOM 254 CB LYS X 16 77.032 -1.704 9.288 1.00 1.00 C ATOM 255 CG LYS X 16 76.541 -0.468 8.531 1.00 1.00 C ATOM 256 CD LYS X 16 75.694 -0.907 7.335 1.00 1.00 C ATOM 257 CE LYS X 16 75.226 0.326 6.560 1.00 1.00 C ATOM 258 NZ LYS X 16 74.499 -0.105 5.333 1.00 1.00 N ATOM 0 H LYS X 16 78.233 -3.357 10.705 1.00 1.00 H new ATOM 0 HA LYS X 16 78.686 -0.613 10.132 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.615 -2.343 8.624 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.183 -2.294 9.633 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.953 0.168 9.193 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.390 0.125 8.191 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.276 -1.559 6.684 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.834 -1.483 7.677 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.575 0.937 7.186 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.081 0.945 6.290 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.889 0.669 5.001 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.185 -0.347 4.590 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.915 -0.938 5.550 1.00 1.00 H new ATOM 272 N GLN X 17 76.305 -1.223 12.319 1.00 1.00 N ATOM 273 CA GLN X 17 75.441 -0.542 13.322 1.00 1.00 C ATOM 274 C GLN X 17 76.310 0.357 14.203 1.00 1.00 C ATOM 275 O GLN X 17 75.971 1.492 14.475 1.00 1.00 O ATOM 276 CB GLN X 17 74.743 -1.589 14.193 1.00 1.00 C ATOM 277 CG GLN X 17 73.753 -2.384 13.340 1.00 1.00 C ATOM 278 CD GLN X 17 73.055 -3.432 14.210 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.700 -4.282 14.791 1.00 1.00 O ATOM 280 NE2 GLN X 17 71.755 -3.407 14.322 1.00 1.00 N ATOM 0 H GLN X 17 76.289 -2.242 12.351 1.00 1.00 H new ATOM 0 HA GLN X 17 74.689 0.059 12.810 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.480 -2.260 14.634 1.00 1.00 H new ATOM 0 HB3 GLN X 17 74.221 -1.103 15.017 1.00 1.00 H new ATOM 0 HG2 GLN X 17 73.016 -1.713 12.899 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.275 -2.870 12.516 1.00 1.00 H new ATOM 0 HE21 GLN X 17 71.215 -2.693 13.834 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.279 -4.102 14.898 1.00 1.00 H new ATOM 289 N ALA X 18 77.431 -0.142 14.649 1.00 1.00 N ATOM 290 CA ALA X 18 78.336 0.688 15.491 1.00 1.00 C ATOM 291 C ALA X 18 78.839 1.878 14.673 1.00 1.00 C ATOM 292 O ALA X 18 78.990 2.972 15.178 1.00 1.00 O ATOM 293 CB ALA X 18 79.526 -0.157 15.948 1.00 1.00 C ATOM 0 H ALA X 18 77.759 -1.090 14.466 1.00 1.00 H new ATOM 0 HA ALA X 18 77.792 1.049 16.364 1.00 1.00 H new ATOM 0 HB1 ALA X 18 80.188 0.451 16.564 1.00 1.00 H new ATOM 0 HB2 ALA X 18 79.167 -1.006 16.529 1.00 1.00 H new ATOM 0 HB3 ALA X 18 80.072 -0.518 15.076 1.00 1.00 H new ATOM 299 N LEU X 19 79.100 1.673 13.410 1.00 1.00 N ATOM 300 CA LEU X 19 79.584 2.796 12.562 1.00 1.00 C ATOM 301 C LEU X 19 78.508 3.880 12.495 1.00 1.00 C ATOM 302 O LEU X 19 78.796 5.059 12.524 1.00 1.00 O ATOM 303 CB LEU X 19 79.880 2.281 11.151 1.00 1.00 C ATOM 304 CG LEU X 19 81.095 1.352 11.189 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.294 0.712 9.814 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.341 2.159 11.559 1.00 1.00 C ATOM 0 H LEU X 19 78.999 0.778 12.931 1.00 1.00 H new ATOM 0 HA LEU X 19 80.495 3.212 12.993 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.014 1.748 10.758 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.070 3.118 10.480 1.00 1.00 H new ATOM 0 HG LEU X 19 80.931 0.571 11.932 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.160 0.050 9.842 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.407 0.137 9.548 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.457 1.492 9.070 1.00 1.00 H new ATOM 0 HD21 LEU X 19 83.208 1.498 11.586 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.503 2.939 10.815 1.00 1.00 H new ATOM 0 HD23 LEU X 19 82.201 2.615 12.539 1.00 1.00 H new ATOM 318 N LYS X 20 77.265 3.489 12.408 1.00 1.00 N ATOM 319 CA LYS X 20 76.170 4.496 12.349 1.00 1.00 C ATOM 320 C LYS X 20 76.229 5.381 13.594 1.00 1.00 C ATOM 321 O LYS X 20 76.078 6.584 13.522 1.00 1.00 O ATOM 322 CB LYS X 20 74.820 3.778 12.296 1.00 1.00 C ATOM 323 CG LYS X 20 74.647 3.114 10.928 1.00 1.00 C ATOM 324 CD LYS X 20 73.260 2.474 10.840 1.00 1.00 C ATOM 325 CE LYS X 20 73.104 1.776 9.489 1.00 1.00 C ATOM 326 NZ LYS X 20 71.715 1.250 9.360 1.00 1.00 N ATOM 0 H LYS X 20 76.962 2.516 12.375 1.00 1.00 H new ATOM 0 HA LYS X 20 76.288 5.112 11.458 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.764 3.028 13.085 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.012 4.488 12.472 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.769 3.853 10.136 1.00 1.00 H new ATOM 0 HG3 LYS X 20 75.418 2.358 10.780 1.00 1.00 H new ATOM 0 HD2 LYS X 20 73.127 1.756 11.649 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.489 3.235 10.959 1.00 1.00 H new ATOM 0 HE2 LYS X 20 73.317 2.475 8.680 1.00 1.00 H new ATOM 0 HE3 LYS X 20 73.823 0.961 9.403 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 71.608 0.775 8.441 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.529 0.571 10.125 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 71.038 2.037 9.424 1.00 1.00 H new ATOM 340 N THR X 21 76.453 4.792 14.737 1.00 1.00 N ATOM 341 CA THR X 21 76.530 5.597 15.987 1.00 1.00 C ATOM 342 C THR X 21 77.722 6.552 15.902 1.00 1.00 C ATOM 343 O THR X 21 77.698 7.640 16.441 1.00 1.00 O ATOM 344 CB THR X 21 76.708 4.663 17.185 1.00 1.00 C ATOM 345 OG1 THR X 21 77.902 3.910 17.021 1.00 1.00 O ATOM 346 CG2 THR X 21 75.512 3.715 17.278 1.00 1.00 C ATOM 0 H THR X 21 76.586 3.788 14.858 1.00 1.00 H new ATOM 0 HA THR X 21 75.611 6.171 16.109 1.00 1.00 H new ATOM 0 HB THR X 21 76.772 5.252 18.100 1.00 1.00 H new ATOM 0 HG1 THR X 21 78.197 3.963 16.088 1.00 1.00 H new ATOM 0 HG21 THR X 21 75.640 3.050 18.132 1.00 1.00 H new ATOM 0 HG22 THR X 21 74.597 4.294 17.403 1.00 1.00 H new ATOM 0 HG23 THR X 21 75.445 3.124 16.365 1.00 1.00 H new ATOM 354 N ARG X 22 78.764 6.155 15.224 1.00 1.00 N ATOM 355 CA ARG X 22 79.951 7.045 15.096 1.00 1.00 C ATOM 356 C ARG X 22 79.626 8.182 14.127 1.00 1.00 C ATOM 357 O ARG X 22 80.287 9.201 14.104 1.00 1.00 O ATOM 358 CB ARG X 22 81.136 6.241 14.560 1.00 1.00 C ATOM 359 CG ARG X 22 81.578 5.222 15.610 1.00 1.00 C ATOM 360 CD ARG X 22 82.732 4.383 15.056 1.00 1.00 C ATOM 361 NE ARG X 22 83.141 3.367 16.067 1.00 1.00 N ATOM 362 CZ ARG X 22 84.094 2.520 15.793 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.689 2.557 14.632 1.00 1.00 N ATOM 364 NH2 ARG X 22 84.454 1.633 16.681 1.00 1.00 N ATOM 0 H ARG X 22 78.844 5.253 14.754 1.00 1.00 H new ATOM 0 HA ARG X 22 80.206 7.458 16.072 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.856 5.731 13.638 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.962 6.909 14.316 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.891 5.734 16.520 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.742 4.576 15.880 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.426 3.890 14.133 1.00 1.00 H new ATOM 0 HD3 ARG X 22 83.577 5.026 14.809 1.00 1.00 H new ATOM 0 HE ARG X 22 82.675 3.334 16.974 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.409 3.249 13.937 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.434 1.894 14.419 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.990 1.603 17.589 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.199 0.970 16.467 1.00 1.00 H new ATOM 378 N GLY X 23 78.614 8.016 13.321 1.00 1.00 N ATOM 379 CA GLY X 23 78.250 9.088 12.354 1.00 1.00 C ATOM 380 C GLY X 23 78.513 8.595 10.930 1.00 1.00 C ATOM 381 O GLY X 23 79.116 9.280 10.127 1.00 1.00 O ATOM 0 H GLY X 23 78.024 7.185 13.291 1.00 1.00 H new ATOM 0 HA2 GLY X 23 77.200 9.357 12.470 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.833 9.987 12.553 1.00 1.00 H new ATOM 385 N VAL X 24 78.064 7.412 10.612 1.00 1.00 N ATOM 386 CA VAL X 24 78.280 6.876 9.238 1.00 1.00 C ATOM 387 C VAL X 24 76.930 6.535 8.606 1.00 1.00 C ATOM 388 O VAL X 24 76.089 5.906 9.218 1.00 1.00 O ATOM 389 CB VAL X 24 79.140 5.614 9.313 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.108 4.893 7.965 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.583 6.002 9.648 1.00 1.00 C ATOM 0 H VAL X 24 77.557 6.793 11.244 1.00 1.00 H new ATOM 0 HA VAL X 24 78.787 7.626 8.631 1.00 1.00 H new ATOM 0 HB VAL X 24 78.750 4.954 10.087 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.721 3.993 8.019 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.081 4.618 7.724 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.499 5.553 7.190 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.198 5.104 9.702 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.972 6.662 8.872 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.608 6.517 10.608 1.00 1.00 H new ATOM 401 N LYS X 25 76.711 6.946 7.388 1.00 1.00 N ATOM 402 CA LYS X 25 75.411 6.649 6.727 1.00 1.00 C ATOM 403 C LYS X 25 75.671 6.159 5.302 1.00 1.00 C ATOM 404 O LYS X 25 75.805 6.940 4.381 1.00 1.00 O ATOM 405 CB LYS X 25 74.560 7.919 6.683 1.00 1.00 C ATOM 406 CG LYS X 25 74.179 8.328 8.107 1.00 1.00 C ATOM 407 CD LYS X 25 73.292 9.574 8.061 1.00 1.00 C ATOM 408 CE LYS X 25 72.886 9.965 9.484 1.00 1.00 C ATOM 409 NZ LYS X 25 72.026 11.181 9.438 1.00 1.00 N ATOM 0 H LYS X 25 77.376 7.474 6.823 1.00 1.00 H new ATOM 0 HA LYS X 25 74.882 5.878 7.288 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.113 8.723 6.198 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.662 7.747 6.090 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.653 7.512 8.602 1.00 1.00 H new ATOM 0 HG3 LYS X 25 75.077 8.529 8.691 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.826 10.396 7.585 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.405 9.380 7.459 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.349 9.144 9.959 1.00 1.00 H new ATOM 0 HE3 LYS X 25 73.773 10.157 10.087 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.750 11.447 10.405 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 72.554 11.963 9.001 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.173 10.982 8.877 1.00 1.00 H new ATOM 423 N VAL X 26 75.748 4.870 5.114 1.00 1.00 N ATOM 424 CA VAL X 26 76.008 4.329 3.751 1.00 1.00 C ATOM 425 C VAL X 26 75.065 3.155 3.483 1.00 1.00 C ATOM 426 O VAL X 26 74.515 2.566 4.392 1.00 1.00 O ATOM 427 CB VAL X 26 77.458 3.852 3.659 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.402 5.042 3.845 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.723 2.817 4.753 1.00 1.00 C ATOM 0 H VAL X 26 75.642 4.168 5.846 1.00 1.00 H new ATOM 0 HA VAL X 26 75.837 5.110 3.010 1.00 1.00 H new ATOM 0 HB VAL X 26 77.630 3.402 2.681 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.435 4.701 3.779 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.214 5.781 3.066 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.231 5.493 4.822 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.756 2.476 4.689 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.550 3.268 5.730 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.052 1.968 4.621 1.00 1.00 H new ATOM 439 N LYS X 27 74.874 2.810 2.239 1.00 1.00 N ATOM 440 CA LYS X 27 73.954 1.685 1.909 1.00 1.00 C ATOM 441 C LYS X 27 74.611 0.359 2.297 1.00 1.00 C ATOM 442 O LYS X 27 75.819 0.232 2.298 1.00 1.00 O ATOM 443 CB LYS X 27 73.659 1.689 0.407 1.00 1.00 C ATOM 444 CG LYS X 27 72.837 2.930 0.050 1.00 1.00 C ATOM 445 CD LYS X 27 72.639 2.993 -1.466 1.00 1.00 C ATOM 446 CE LYS X 27 71.735 4.177 -1.813 1.00 1.00 C ATOM 447 NZ LYS X 27 72.406 5.447 -1.417 1.00 1.00 N ATOM 0 H LYS X 27 75.316 3.259 1.437 1.00 1.00 H new ATOM 0 HA LYS X 27 73.022 1.804 2.461 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.592 1.683 -0.157 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.113 0.787 0.131 1.00 1.00 H new ATOM 0 HG2 LYS X 27 71.870 2.896 0.552 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.346 3.829 0.399 1.00 1.00 H new ATOM 0 HD2 LYS X 27 73.602 3.098 -1.965 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.194 2.065 -1.824 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.521 4.184 -2.882 1.00 1.00 H new ATOM 0 HE3 LYS X 27 70.779 4.082 -1.297 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.697 6.115 -1.053 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.110 5.252 -0.677 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 72.880 5.862 -2.244 1.00 1.00 H new ATOM 461 N TYR X 28 73.825 -0.630 2.624 1.00 1.00 N ATOM 462 CA TYR X 28 74.409 -1.944 3.011 1.00 1.00 C ATOM 463 C TYR X 28 75.117 -2.557 1.802 1.00 1.00 C ATOM 464 O TYR X 28 76.180 -3.135 1.919 1.00 1.00 O ATOM 465 CB TYR X 28 73.295 -2.881 3.483 1.00 1.00 C ATOM 466 CG TYR X 28 73.897 -4.168 3.991 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.393 -4.241 5.299 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.960 -5.290 3.156 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.951 -5.435 5.771 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.518 -6.484 3.629 1.00 1.00 C ATOM 471 CZ TYR X 28 75.015 -6.556 4.936 1.00 1.00 C ATOM 472 OH TYR X 28 75.565 -7.733 5.401 1.00 1.00 O ATOM 0 H TYR X 28 72.806 -0.585 2.640 1.00 1.00 H new ATOM 0 HA TYR X 28 75.125 -1.801 3.820 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.714 -2.403 4.272 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.608 -3.088 2.662 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.345 -3.376 5.944 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.578 -5.235 2.147 1.00 1.00 H new ATOM 0 HE1 TYR X 28 75.332 -5.491 6.780 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.565 -7.350 2.985 1.00 1.00 H new ATOM 0 HH TYR X 28 75.530 -8.412 4.695 1.00 1.00 H new ATOM 482 N ALA X 29 74.536 -2.435 0.640 1.00 1.00 N ATOM 483 CA ALA X 29 75.170 -3.015 -0.577 1.00 1.00 C ATOM 484 C ALA X 29 76.599 -2.488 -0.708 1.00 1.00 C ATOM 485 O ALA X 29 77.481 -3.169 -1.192 1.00 1.00 O ATOM 486 CB ALA X 29 74.363 -2.615 -1.814 1.00 1.00 C ATOM 0 H ALA X 29 73.649 -1.958 0.481 1.00 1.00 H new ATOM 0 HA ALA X 29 75.190 -4.102 -0.493 1.00 1.00 H new ATOM 0 HB1 ALA X 29 74.827 -3.040 -2.704 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.344 -2.992 -1.721 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.342 -1.529 -1.899 1.00 1.00 H new ATOM 492 N ASP X 30 76.835 -1.277 -0.281 1.00 1.00 N ATOM 493 CA ASP X 30 78.208 -0.708 -0.380 1.00 1.00 C ATOM 494 C ASP X 30 79.172 -1.559 0.449 1.00 1.00 C ATOM 495 O ASP X 30 80.305 -1.778 0.071 1.00 1.00 O ATOM 496 CB ASP X 30 78.207 0.726 0.154 1.00 1.00 C ATOM 497 CG ASP X 30 77.383 1.616 -0.779 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.167 1.215 -1.911 1.00 1.00 O ATOM 499 OD2 ASP X 30 76.982 2.683 -0.345 1.00 1.00 O ATOM 0 H ASP X 30 76.137 -0.658 0.132 1.00 1.00 H new ATOM 0 HA ASP X 30 78.526 -0.707 -1.422 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.789 0.751 1.160 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.228 1.100 0.223 1.00 1.00 H new ATOM 504 N LEU X 31 78.730 -2.041 1.578 1.00 1.00 N ATOM 505 CA LEU X 31 79.616 -2.889 2.424 1.00 1.00 C ATOM 506 C LEU X 31 79.995 -4.155 1.652 1.00 1.00 C ATOM 507 O LEU X 31 81.139 -4.560 1.630 1.00 1.00 O ATOM 508 CB LEU X 31 78.880 -3.274 3.709 1.00 1.00 C ATOM 509 CG LEU X 31 78.967 -2.124 4.712 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.409 -1.983 5.204 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.531 -0.823 4.033 1.00 1.00 C ATOM 0 H LEU X 31 77.794 -1.884 1.951 1.00 1.00 H new ATOM 0 HA LEU X 31 80.519 -2.333 2.677 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.837 -3.500 3.489 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.319 -4.176 4.135 1.00 1.00 H new ATOM 0 HG LEU X 31 78.313 -2.330 5.559 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.471 -1.163 5.919 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.721 -2.909 5.686 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.064 -1.776 4.357 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.592 -0.002 4.747 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.186 -0.617 3.186 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.504 -0.922 3.682 1.00 1.00 H new ATOM 523 N LEU X 32 79.042 -4.782 1.020 1.00 1.00 N ATOM 524 CA LEU X 32 79.349 -6.011 0.237 1.00 1.00 C ATOM 525 C LEU X 32 80.286 -5.656 -0.920 1.00 1.00 C ATOM 526 O LEU X 32 81.217 -6.376 -1.219 1.00 1.00 O ATOM 527 CB LEU X 32 78.051 -6.601 -0.318 1.00 1.00 C ATOM 528 CG LEU X 32 77.176 -7.091 0.838 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.817 -7.539 0.296 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.863 -8.271 1.529 1.00 1.00 C ATOM 0 H LEU X 32 78.063 -4.496 1.012 1.00 1.00 H new ATOM 0 HA LEU X 32 79.832 -6.744 0.884 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.517 -5.849 -0.899 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.274 -7.426 -0.994 1.00 1.00 H new ATOM 0 HG LEU X 32 77.032 -6.282 1.554 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.194 -7.888 1.119 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.328 -6.700 -0.199 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.960 -8.349 -0.419 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.242 -8.622 2.353 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.006 -9.080 0.812 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.832 -7.953 1.915 1.00 1.00 H new ATOM 542 N LYS X 33 80.047 -4.552 -1.571 1.00 1.00 N ATOM 543 CA LYS X 33 80.932 -4.148 -2.699 1.00 1.00 C ATOM 544 C LYS X 33 82.344 -3.889 -2.170 1.00 1.00 C ATOM 545 O LYS X 33 83.326 -4.173 -2.827 1.00 1.00 O ATOM 546 CB LYS X 33 80.388 -2.873 -3.347 1.00 1.00 C ATOM 547 CG LYS X 33 79.061 -3.181 -4.045 1.00 1.00 C ATOM 548 CD LYS X 33 78.478 -1.891 -4.628 1.00 1.00 C ATOM 549 CE LYS X 33 77.153 -2.198 -5.327 1.00 1.00 C ATOM 550 NZ LYS X 33 76.608 -0.949 -5.931 1.00 1.00 N ATOM 0 H LYS X 33 79.278 -3.912 -1.371 1.00 1.00 H new ATOM 0 HA LYS X 33 80.961 -4.946 -3.441 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.243 -2.102 -2.591 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.108 -2.483 -4.067 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.216 -3.913 -4.838 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.359 -3.622 -3.337 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.322 -1.160 -3.835 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.180 -1.449 -5.335 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.303 -2.952 -6.099 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.440 -2.610 -4.613 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 75.944 -1.193 -6.693 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.111 -0.399 -5.202 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.388 -0.382 -6.320 1.00 1.00 H new ATOM 564 N PHE X 34 82.455 -3.355 -0.985 1.00 1.00 N ATOM 565 CA PHE X 34 83.804 -3.078 -0.415 1.00 1.00 C ATOM 566 C PHE X 34 84.619 -4.373 -0.384 1.00 1.00 C ATOM 567 O PHE X 34 85.752 -4.414 -0.821 1.00 1.00 O ATOM 568 CB PHE X 34 83.656 -2.536 1.008 1.00 1.00 C ATOM 569 CG PHE X 34 85.019 -2.413 1.646 1.00 1.00 C ATOM 570 CD1 PHE X 34 85.984 -1.574 1.076 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.318 -3.138 2.805 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.249 -1.460 1.667 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.583 -3.025 3.395 1.00 1.00 C ATOM 574 CZ PHE X 34 87.548 -2.186 2.826 1.00 1.00 C ATOM 0 H PHE X 34 81.670 -3.098 -0.387 1.00 1.00 H new ATOM 0 HA PHE X 34 84.315 -2.340 -1.033 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.163 -1.564 0.989 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.026 -3.201 1.598 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.753 -1.015 0.181 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.573 -3.785 3.245 1.00 1.00 H new ATOM 0 HE1 PHE X 34 87.994 -0.812 1.229 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.814 -3.585 4.289 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.523 -2.099 3.281 1.00 1.00 H new ATOM 584 N PHE X 35 84.052 -5.430 0.129 1.00 1.00 N ATOM 585 CA PHE X 35 84.793 -6.721 0.181 1.00 1.00 C ATOM 586 C PHE X 35 85.165 -7.151 -1.238 1.00 1.00 C ATOM 587 O PHE X 35 86.260 -7.615 -1.490 1.00 1.00 O ATOM 588 CB PHE X 35 83.907 -7.793 0.820 1.00 1.00 C ATOM 589 CG PHE X 35 83.784 -7.525 2.301 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.842 -7.841 3.161 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.610 -6.959 2.814 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.728 -7.593 4.533 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.496 -6.711 4.188 1.00 1.00 C ATOM 594 CZ PHE X 35 83.555 -7.028 5.047 1.00 1.00 C ATOM 0 H PHE X 35 83.108 -5.455 0.514 1.00 1.00 H new ATOM 0 HA PHE X 35 85.699 -6.596 0.774 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.921 -7.790 0.356 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.335 -8.781 0.652 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.747 -8.277 2.765 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.793 -6.714 2.151 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.545 -7.837 5.196 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.591 -6.275 4.585 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.467 -6.837 6.106 1.00 1.00 H new ATOM 604 N ASP X 36 84.262 -7.006 -2.168 1.00 1.00 N ATOM 605 CA ASP X 36 84.562 -7.421 -3.567 1.00 1.00 C ATOM 606 C ASP X 36 85.758 -6.621 -4.086 1.00 1.00 C ATOM 607 O ASP X 36 86.655 -7.156 -4.706 1.00 1.00 O ATOM 608 CB ASP X 36 83.344 -7.152 -4.455 1.00 1.00 C ATOM 609 CG ASP X 36 82.230 -8.141 -4.106 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.490 -9.051 -3.338 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.133 -7.970 -4.615 1.00 1.00 O ATOM 0 H ASP X 36 83.330 -6.618 -2.020 1.00 1.00 H new ATOM 0 HA ASP X 36 84.796 -8.485 -3.589 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.995 -6.129 -4.312 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.617 -7.251 -5.505 1.00 1.00 H new ATOM 616 N PHE X 37 85.777 -5.339 -3.837 1.00 1.00 N ATOM 617 CA PHE X 37 86.912 -4.502 -4.314 1.00 1.00 C ATOM 618 C PHE X 37 88.214 -4.995 -3.679 1.00 1.00 C ATOM 619 O PHE X 37 89.222 -5.142 -4.342 1.00 1.00 O ATOM 620 CB PHE X 37 86.673 -3.043 -3.921 1.00 1.00 C ATOM 621 CG PHE X 37 87.730 -2.168 -4.553 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.936 -1.931 -3.882 1.00 1.00 C ATOM 623 CD2 PHE X 37 87.504 -1.596 -5.811 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.915 -1.121 -4.469 1.00 1.00 C ATOM 625 CE2 PHE X 37 88.483 -0.786 -6.397 1.00 1.00 C ATOM 626 CZ PHE X 37 89.689 -0.549 -5.726 1.00 1.00 C ATOM 0 H PHE X 37 85.054 -4.836 -3.323 1.00 1.00 H new ATOM 0 HA PHE X 37 86.986 -4.578 -5.399 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.682 -2.726 -4.246 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.701 -2.939 -2.836 1.00 1.00 H new ATOM 0 HD1 PHE X 37 89.111 -2.373 -2.912 1.00 1.00 H new ATOM 0 HD2 PHE X 37 86.574 -1.780 -6.329 1.00 1.00 H new ATOM 0 HE1 PHE X 37 90.845 -0.937 -3.952 1.00 1.00 H new ATOM 0 HE2 PHE X 37 88.309 -0.344 -7.367 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.445 0.075 -6.179 1.00 1.00 H new ATOM 636 N VAL X 38 88.201 -5.250 -2.400 1.00 1.00 N ATOM 637 CA VAL X 38 89.437 -5.734 -1.724 1.00 1.00 C ATOM 638 C VAL X 38 89.941 -6.999 -2.424 1.00 1.00 C ATOM 639 O VAL X 38 91.118 -7.149 -2.683 1.00 1.00 O ATOM 640 CB VAL X 38 89.126 -6.051 -0.260 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.359 -6.670 0.400 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.751 -4.759 0.471 1.00 1.00 C ATOM 0 H VAL X 38 87.388 -5.144 -1.794 1.00 1.00 H new ATOM 0 HA VAL X 38 90.204 -4.962 -1.774 1.00 1.00 H new ATOM 0 HB VAL X 38 88.295 -6.754 -0.208 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.138 -6.896 1.443 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.628 -7.589 -0.121 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.190 -5.967 0.349 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.529 -4.983 1.514 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.583 -4.057 0.419 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.873 -4.316 0.000 1.00 1.00 H new ATOM 652 N LYS X 39 89.059 -7.912 -2.730 1.00 1.00 N ATOM 653 CA LYS X 39 89.488 -9.153 -3.437 1.00 1.00 C ATOM 654 C LYS X 39 90.023 -8.790 -4.823 1.00 1.00 C ATOM 655 O LYS X 39 90.905 -9.439 -5.350 1.00 1.00 O ATOM 656 CB LYS X 39 88.291 -10.095 -3.583 1.00 1.00 C ATOM 657 CG LYS X 39 88.788 -11.536 -3.704 1.00 1.00 C ATOM 658 CD LYS X 39 87.597 -12.495 -3.645 1.00 1.00 C ATOM 659 CE LYS X 39 88.098 -13.939 -3.721 1.00 1.00 C ATOM 660 NZ LYS X 39 86.937 -14.871 -3.639 1.00 1.00 N ATOM 0 H LYS X 39 88.062 -7.853 -2.522 1.00 1.00 H new ATOM 0 HA LYS X 39 90.272 -9.647 -2.863 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.631 -9.998 -2.721 1.00 1.00 H new ATOM 0 HB3 LYS X 39 87.708 -9.825 -4.463 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.328 -11.668 -4.642 1.00 1.00 H new ATOM 0 HG3 LYS X 39 89.488 -11.759 -2.899 1.00 1.00 H new ATOM 0 HD2 LYS X 39 87.038 -12.341 -2.722 1.00 1.00 H new ATOM 0 HD3 LYS X 39 86.913 -12.293 -4.469 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.641 -14.098 -4.652 1.00 1.00 H new ATOM 0 HE3 LYS X 39 88.796 -14.137 -2.907 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 87.276 -15.853 -3.691 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 86.437 -14.724 -2.739 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 86.288 -14.687 -4.430 1.00 1.00 H new ATOM 674 N ASP X 40 89.497 -7.754 -5.417 1.00 1.00 N ATOM 675 CA ASP X 40 89.982 -7.336 -6.763 1.00 1.00 C ATOM 676 C ASP X 40 91.389 -6.746 -6.641 1.00 1.00 C ATOM 677 O ASP X 40 92.119 -6.657 -7.608 1.00 1.00 O ATOM 678 CB ASP X 40 89.034 -6.281 -7.338 1.00 1.00 C ATOM 679 CG ASP X 40 87.711 -6.941 -7.727 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.684 -8.157 -7.822 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.748 -6.219 -7.923 1.00 1.00 O ATOM 0 H ASP X 40 88.751 -7.178 -5.027 1.00 1.00 H new ATOM 0 HA ASP X 40 90.010 -8.202 -7.425 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.858 -5.496 -6.603 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.486 -5.807 -8.209 1.00 1.00 H new ATOM 686 N THR X 41 91.776 -6.340 -5.463 1.00 1.00 N ATOM 687 CA THR X 41 93.109 -5.692 -5.301 1.00 1.00 C ATOM 688 C THR X 41 94.192 -6.607 -5.878 1.00 1.00 C ATOM 689 O THR X 41 94.997 -6.196 -6.690 1.00 1.00 O ATOM 690 CB THR X 41 93.382 -5.453 -3.814 1.00 1.00 C ATOM 691 OG1 THR X 41 92.291 -4.744 -3.243 1.00 1.00 O ATOM 692 CG2 THR X 41 94.664 -4.633 -3.656 1.00 1.00 C ATOM 0 H THR X 41 91.228 -6.428 -4.607 1.00 1.00 H new ATOM 0 HA THR X 41 93.118 -4.739 -5.830 1.00 1.00 H new ATOM 0 HB THR X 41 93.500 -6.410 -3.306 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.463 -4.591 -2.290 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.859 -4.463 -2.597 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.500 -5.177 -4.096 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.548 -3.675 -4.162 1.00 1.00 H new ATOM 700 N CYS X 42 94.219 -7.844 -5.464 1.00 1.00 N ATOM 701 CA CYS X 42 95.272 -8.774 -5.960 1.00 1.00 C ATOM 702 C CYS X 42 94.620 -9.905 -6.758 1.00 1.00 C ATOM 703 O CYS X 42 94.887 -10.083 -7.930 1.00 1.00 O ATOM 704 CB CYS X 42 96.036 -9.362 -4.771 1.00 1.00 C ATOM 705 SG CYS X 42 96.384 -11.111 -5.084 1.00 1.00 S ATOM 0 H CYS X 42 93.557 -8.251 -4.803 1.00 1.00 H new ATOM 0 HA CYS X 42 95.964 -8.229 -6.602 1.00 1.00 H new ATOM 0 HB2 CYS X 42 96.967 -8.817 -4.617 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.449 -9.254 -3.859 1.00 1.00 H new ATOM 0 HG CYS X 42 97.035 -11.611 -4.076 1.00 1.00 H new ATOM 711 N PRO X 43 93.771 -10.662 -6.120 1.00 1.00 N ATOM 712 CA PRO X 43 93.088 -11.825 -6.755 1.00 1.00 C ATOM 713 C PRO X 43 92.628 -11.517 -8.183 1.00 1.00 C ATOM 714 O PRO X 43 92.960 -12.220 -9.118 1.00 1.00 O ATOM 715 CB PRO X 43 91.885 -12.077 -5.846 1.00 1.00 C ATOM 716 CG PRO X 43 92.291 -11.575 -4.499 1.00 1.00 C ATOM 717 CD PRO X 43 93.367 -10.488 -4.716 1.00 1.00 C ATOM 0 HA PRO X 43 93.751 -12.685 -6.848 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.001 -11.553 -6.210 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.635 -13.137 -5.811 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.432 -11.164 -3.968 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.684 -12.388 -3.889 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.968 -9.490 -4.536 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.211 -10.621 -4.039 1.00 1.00 H new ATOM 725 N TRP X 44 91.868 -10.470 -8.359 1.00 1.00 N ATOM 726 CA TRP X 44 91.415 -10.098 -9.730 1.00 1.00 C ATOM 727 C TRP X 44 91.750 -8.629 -10.000 1.00 1.00 C ATOM 728 O TRP X 44 91.201 -7.734 -9.389 1.00 1.00 O ATOM 729 CB TRP X 44 89.902 -10.304 -9.838 1.00 1.00 C ATOM 730 CG TRP X 44 89.567 -11.715 -9.477 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.214 -12.811 -9.939 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.519 -12.202 -8.590 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.627 -13.938 -9.392 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.579 -13.615 -8.553 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.531 -11.559 -7.822 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.691 -14.364 -7.782 1.00 1.00 C ATOM 737 CZ3 TRP X 44 86.636 -12.310 -7.043 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.715 -13.710 -7.024 1.00 1.00 C ATOM 0 H TRP X 44 91.541 -9.856 -7.613 1.00 1.00 H new ATOM 0 HA TRP X 44 91.922 -10.725 -10.463 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.381 -9.614 -9.174 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.566 -10.086 -10.852 1.00 1.00 H new ATOM 0 HD1 TRP X 44 91.051 -12.806 -10.622 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.932 -14.892 -9.585 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.461 -10.481 -7.832 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.757 -15.442 -7.770 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 85.883 -11.807 -6.455 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.023 -14.282 -6.424 1.00 1.00 H new ATOM 749 N PHE X 45 92.648 -8.375 -10.910 1.00 1.00 N ATOM 750 CA PHE X 45 93.041 -6.966 -11.206 1.00 1.00 C ATOM 751 C PHE X 45 91.825 -6.183 -11.711 1.00 1.00 C ATOM 752 O PHE X 45 91.586 -5.064 -11.302 1.00 1.00 O ATOM 753 CB PHE X 45 94.131 -6.955 -12.278 1.00 1.00 C ATOM 754 CG PHE X 45 95.356 -6.252 -11.746 1.00 1.00 C ATOM 755 CD1 PHE X 45 96.034 -6.769 -10.636 1.00 1.00 C ATOM 756 CD2 PHE X 45 95.814 -5.082 -12.363 1.00 1.00 C ATOM 757 CE1 PHE X 45 97.169 -6.116 -10.141 1.00 1.00 C ATOM 758 CE2 PHE X 45 96.950 -4.428 -11.868 1.00 1.00 C ATOM 759 CZ PHE X 45 97.627 -4.946 -10.758 1.00 1.00 C ATOM 0 H PHE X 45 93.129 -9.083 -11.464 1.00 1.00 H new ATOM 0 HA PHE X 45 93.417 -6.500 -10.295 1.00 1.00 H new ATOM 0 HB2 PHE X 45 94.382 -7.976 -12.567 1.00 1.00 H new ATOM 0 HB3 PHE X 45 93.769 -6.450 -13.174 1.00 1.00 H new ATOM 0 HD1 PHE X 45 95.681 -7.672 -10.161 1.00 1.00 H new ATOM 0 HD2 PHE X 45 95.292 -4.683 -13.220 1.00 1.00 H new ATOM 0 HE1 PHE X 45 97.691 -6.515 -9.284 1.00 1.00 H new ATOM 0 HE2 PHE X 45 97.303 -3.525 -12.343 1.00 1.00 H new ATOM 0 HZ PHE X 45 98.503 -4.443 -10.377 1.00 1.00 H new ATOM 769 N PRO X 46 91.066 -6.769 -12.596 1.00 1.00 N ATOM 770 CA PRO X 46 89.855 -6.117 -13.179 1.00 1.00 C ATOM 771 C PRO X 46 88.821 -5.748 -12.112 1.00 1.00 C ATOM 772 O PRO X 46 88.608 -6.475 -11.163 1.00 1.00 O ATOM 773 CB PRO X 46 89.284 -7.170 -14.135 1.00 1.00 C ATOM 774 CG PRO X 46 90.392 -8.142 -14.378 1.00 1.00 C ATOM 775 CD PRO X 46 91.277 -8.117 -13.138 1.00 1.00 C ATOM 0 HA PRO X 46 90.107 -5.178 -13.672 1.00 1.00 H new ATOM 0 HB2 PRO X 46 88.417 -7.666 -13.698 1.00 1.00 H new ATOM 0 HB3 PRO X 46 88.953 -6.713 -15.068 1.00 1.00 H new ATOM 0 HG2 PRO X 46 89.997 -9.143 -14.551 1.00 1.00 H new ATOM 0 HG3 PRO X 46 90.961 -7.866 -15.265 1.00 1.00 H new ATOM 0 HD2 PRO X 46 90.988 -8.887 -12.423 1.00 1.00 H new ATOM 0 HD3 PRO X 46 92.324 -8.290 -13.388 1.00 1.00 H new ATOM 783 N GLN X 47 88.178 -4.621 -12.258 1.00 1.00 N ATOM 784 CA GLN X 47 87.164 -4.203 -11.249 1.00 1.00 C ATOM 785 C GLN X 47 85.762 -4.567 -11.746 1.00 1.00 C ATOM 786 O GLN X 47 85.543 -4.763 -12.925 1.00 1.00 O ATOM 787 CB GLN X 47 87.254 -2.692 -11.033 1.00 1.00 C ATOM 788 CG GLN X 47 88.677 -2.320 -10.613 1.00 1.00 C ATOM 789 CD GLN X 47 89.014 -3.008 -9.290 1.00 1.00 C ATOM 790 OE1 GLN X 47 88.203 -3.042 -8.385 1.00 1.00 O ATOM 791 NE2 GLN X 47 90.185 -3.562 -9.136 1.00 1.00 N ATOM 0 H GLN X 47 88.312 -3.972 -13.033 1.00 1.00 H new ATOM 0 HA GLN X 47 87.357 -4.717 -10.308 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.985 -2.166 -11.949 1.00 1.00 H new ATOM 0 HB3 GLN X 47 86.544 -2.381 -10.267 1.00 1.00 H new ATOM 0 HG2 GLN X 47 89.386 -2.623 -11.384 1.00 1.00 H new ATOM 0 HG3 GLN X 47 88.765 -1.239 -10.506 1.00 1.00 H new ATOM 0 HE21 GLN X 47 90.866 -3.534 -9.895 1.00 1.00 H new ATOM 0 HE22 GLN X 47 90.419 -4.023 -8.257 1.00 1.00 H new ATOM 800 N GLU X 48 84.812 -4.663 -10.855 1.00 1.00 N ATOM 801 CA GLU X 48 83.425 -5.006 -11.277 1.00 1.00 C ATOM 802 C GLU X 48 82.422 -4.459 -10.259 1.00 1.00 C ATOM 803 O GLU X 48 82.596 -4.601 -9.065 1.00 1.00 O ATOM 804 CB GLU X 48 83.279 -6.528 -11.366 1.00 1.00 C ATOM 805 CG GLU X 48 81.896 -6.877 -11.923 1.00 1.00 C ATOM 806 CD GLU X 48 81.793 -8.390 -12.116 1.00 1.00 C ATOM 807 OE1 GLU X 48 82.591 -9.100 -11.526 1.00 1.00 O ATOM 808 OE2 GLU X 48 80.917 -8.814 -12.852 1.00 1.00 O ATOM 0 H GLU X 48 84.937 -4.519 -9.853 1.00 1.00 H new ATOM 0 HA GLU X 48 83.228 -4.561 -12.252 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.056 -6.942 -12.008 1.00 1.00 H new ATOM 0 HB3 GLU X 48 83.409 -6.975 -10.380 1.00 1.00 H new ATOM 0 HG2 GLU X 48 81.119 -6.533 -11.240 1.00 1.00 H new ATOM 0 HG3 GLU X 48 81.735 -6.366 -12.872 1.00 1.00 H new ATOM 815 N GLY X 49 81.378 -3.826 -10.722 1.00 1.00 N ATOM 816 CA GLY X 49 80.362 -3.274 -9.780 1.00 1.00 C ATOM 817 C GLY X 49 80.515 -1.755 -9.685 1.00 1.00 C ATOM 818 O GLY X 49 81.576 -1.214 -9.925 1.00 1.00 O ATOM 0 H GLY X 49 81.185 -3.667 -11.711 1.00 1.00 H new ATOM 0 HA2 GLY X 49 79.359 -3.527 -10.123 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.484 -3.723 -8.795 1.00 1.00 H new ATOM 822 N THR X 50 79.468 -1.062 -9.334 1.00 1.00 N ATOM 823 CA THR X 50 79.567 0.420 -9.210 1.00 1.00 C ATOM 824 C THR X 50 79.926 0.784 -7.768 1.00 1.00 C ATOM 825 O THR X 50 79.368 0.256 -6.827 1.00 1.00 O ATOM 826 CB THR X 50 78.225 1.056 -9.578 1.00 1.00 C ATOM 827 OG1 THR X 50 78.005 0.917 -10.976 1.00 1.00 O ATOM 828 CG2 THR X 50 78.242 2.539 -9.209 1.00 1.00 C ATOM 0 H THR X 50 78.550 -1.456 -9.128 1.00 1.00 H new ATOM 0 HA THR X 50 80.339 0.791 -9.884 1.00 1.00 H new ATOM 0 HB THR X 50 77.425 0.557 -9.031 1.00 1.00 H new ATOM 0 HG1 THR X 50 77.145 1.322 -11.214 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.285 2.990 -9.472 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.411 2.645 -8.137 1.00 1.00 H new ATOM 0 HG23 THR X 50 79.042 3.040 -9.754 1.00 1.00 H new ATOM 836 N ILE X 51 80.852 1.685 -7.587 1.00 1.00 N ATOM 837 CA ILE X 51 81.252 2.075 -6.205 1.00 1.00 C ATOM 838 C ILE X 51 80.609 3.416 -5.846 1.00 1.00 C ATOM 839 O ILE X 51 80.622 4.351 -6.622 1.00 1.00 O ATOM 840 CB ILE X 51 82.775 2.203 -6.135 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.263 1.742 -4.760 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.175 3.663 -6.353 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.530 2.524 -3.669 1.00 1.00 C ATOM 0 H ILE X 51 81.349 2.168 -8.336 1.00 1.00 H new ATOM 0 HA ILE X 51 80.918 1.314 -5.500 1.00 1.00 H new ATOM 0 HB ILE X 51 83.227 1.582 -6.909 1.00 1.00 H new ATOM 0 HG12 ILE X 51 83.084 0.674 -4.639 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.338 1.897 -4.673 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.260 3.754 -6.303 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.828 3.993 -7.332 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.723 4.284 -5.579 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.878 2.195 -2.690 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.731 3.589 -3.787 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.458 2.346 -3.752 1.00 1.00 H new ATOM 855 N ASP X 52 80.045 3.518 -4.674 1.00 1.00 N ATOM 856 CA ASP X 52 79.401 4.797 -4.261 1.00 1.00 C ATOM 857 C ASP X 52 80.476 5.821 -3.889 1.00 1.00 C ATOM 858 O ASP X 52 81.450 5.502 -3.237 1.00 1.00 O ATOM 859 CB ASP X 52 78.497 4.546 -3.052 1.00 1.00 C ATOM 860 CG ASP X 52 77.159 3.972 -3.523 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.976 3.858 -4.724 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.340 3.658 -2.675 1.00 1.00 O ATOM 0 H ASP X 52 80.002 2.769 -3.983 1.00 1.00 H new ATOM 0 HA ASP X 52 78.806 5.184 -5.088 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.979 3.853 -2.362 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.334 5.476 -2.508 1.00 1.00 H new ATOM 867 N ILE X 53 80.310 7.050 -4.298 1.00 1.00 N ATOM 868 CA ILE X 53 81.328 8.088 -3.967 1.00 1.00 C ATOM 869 C ILE X 53 81.343 8.321 -2.454 1.00 1.00 C ATOM 870 O ILE X 53 82.374 8.589 -1.869 1.00 1.00 O ATOM 871 CB ILE X 53 80.975 9.394 -4.679 1.00 1.00 C ATOM 872 CG1 ILE X 53 80.816 9.130 -6.178 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.093 10.416 -4.460 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.312 10.399 -6.870 1.00 1.00 C ATOM 0 H ILE X 53 79.515 7.380 -4.846 1.00 1.00 H new ATOM 0 HA ILE X 53 82.311 7.750 -4.294 1.00 1.00 H new ATOM 0 HB ILE X 53 80.041 9.785 -4.275 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.770 8.824 -6.607 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.115 8.311 -6.341 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.840 11.347 -4.968 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.209 10.605 -3.393 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.027 10.025 -4.863 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.199 10.211 -7.938 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.349 10.685 -6.448 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.029 11.206 -6.718 1.00 1.00 H new ATOM 886 N LYS X 54 80.210 8.222 -1.815 1.00 1.00 N ATOM 887 CA LYS X 54 80.161 8.454 -0.344 1.00 1.00 C ATOM 888 C LYS X 54 80.996 7.388 0.368 1.00 1.00 C ATOM 889 O LYS X 54 81.671 7.660 1.340 1.00 1.00 O ATOM 890 CB LYS X 54 78.712 8.377 0.140 1.00 1.00 C ATOM 891 CG LYS X 54 77.941 9.600 -0.358 1.00 1.00 C ATOM 892 CD LYS X 54 76.490 9.518 0.120 1.00 1.00 C ATOM 893 CE LYS X 54 75.707 10.718 -0.417 1.00 1.00 C ATOM 894 NZ LYS X 54 74.277 10.599 -0.014 1.00 1.00 N ATOM 0 H LYS X 54 79.316 7.990 -2.248 1.00 1.00 H new ATOM 0 HA LYS X 54 80.564 9.441 -0.119 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.243 7.464 -0.227 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.683 8.334 1.229 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.406 10.513 0.014 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.974 9.646 -1.447 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.034 8.590 -0.224 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.455 9.505 1.209 1.00 1.00 H new ATOM 0 HE2 LYS X 54 76.129 11.645 -0.029 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.787 10.762 -1.503 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 73.687 11.168 -0.654 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 73.983 9.603 -0.066 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 74.161 10.943 0.961 1.00 1.00 H new ATOM 908 N PHE X 55 80.956 6.173 -0.111 1.00 1.00 N ATOM 909 CA PHE X 55 81.731 5.085 0.549 1.00 1.00 C ATOM 910 C PHE X 55 83.203 5.199 0.147 1.00 1.00 C ATOM 911 O PHE X 55 84.078 4.680 0.813 1.00 1.00 O ATOM 912 CB PHE X 55 81.180 3.726 0.112 1.00 1.00 C ATOM 913 CG PHE X 55 81.693 2.649 1.036 1.00 1.00 C ATOM 914 CD1 PHE X 55 80.977 2.323 2.195 1.00 1.00 C ATOM 915 CD2 PHE X 55 82.882 1.976 0.736 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.450 1.323 3.053 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.356 0.976 1.594 1.00 1.00 C ATOM 918 CZ PHE X 55 82.640 0.649 2.753 1.00 1.00 C ATOM 0 H PHE X 55 80.420 5.888 -0.931 1.00 1.00 H new ATOM 0 HA PHE X 55 81.642 5.176 1.632 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.090 3.743 0.127 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.482 3.513 -0.914 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.059 2.843 2.427 1.00 1.00 H new ATOM 0 HD2 PHE X 55 83.434 2.228 -0.157 1.00 1.00 H new ATOM 0 HE1 PHE X 55 80.897 1.072 3.946 1.00 1.00 H new ATOM 0 HE2 PHE X 55 84.274 0.457 1.362 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.006 -0.122 3.415 1.00 1.00 H new ATOM 928 N TRP X 56 83.489 5.870 -0.935 1.00 1.00 N ATOM 929 CA TRP X 56 84.907 6.006 -1.371 1.00 1.00 C ATOM 930 C TRP X 56 85.737 6.620 -0.243 1.00 1.00 C ATOM 931 O TRP X 56 86.896 6.302 -0.068 1.00 1.00 O ATOM 932 CB TRP X 56 84.976 6.908 -2.604 1.00 1.00 C ATOM 933 CG TRP X 56 86.397 7.292 -2.860 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.460 6.465 -2.732 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.929 8.580 -3.286 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.611 7.164 -3.051 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.335 8.471 -3.400 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.333 9.819 -3.582 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.123 9.553 -3.793 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.123 10.910 -3.978 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.515 10.778 -4.083 1.00 1.00 C ATOM 0 H TRP X 56 82.803 6.329 -1.535 1.00 1.00 H new ATOM 0 HA TRP X 56 85.305 5.021 -1.616 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.566 6.389 -3.471 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.369 7.800 -2.450 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.417 5.429 -2.430 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.549 6.763 -3.031 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.262 9.932 -3.504 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.195 9.445 -3.873 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.655 11.857 -4.203 1.00 1.00 H new ATOM 0 HH2 TRP X 56 89.117 11.622 -4.388 1.00 1.00 H new ATOM 952 N ARG X 57 85.155 7.498 0.526 1.00 1.00 N ATOM 953 CA ARG X 57 85.914 8.129 1.642 1.00 1.00 C ATOM 954 C ARG X 57 86.393 7.047 2.611 1.00 1.00 C ATOM 955 O ARG X 57 87.511 7.075 3.086 1.00 1.00 O ATOM 956 CB ARG X 57 85.009 9.116 2.384 1.00 1.00 C ATOM 957 CG ARG X 57 84.740 10.331 1.495 1.00 1.00 C ATOM 958 CD ARG X 57 83.246 10.658 1.515 1.00 1.00 C ATOM 959 NE ARG X 57 82.815 10.930 2.915 1.00 1.00 N ATOM 960 CZ ARG X 57 82.958 12.124 3.423 1.00 1.00 C ATOM 961 NH1 ARG X 57 83.473 13.082 2.702 1.00 1.00 N ATOM 962 NH2 ARG X 57 82.584 12.359 4.650 1.00 1.00 N ATOM 0 H ARG X 57 84.187 7.806 0.430 1.00 1.00 H new ATOM 0 HA ARG X 57 86.775 8.661 1.238 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.069 8.633 2.652 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.482 9.431 3.314 1.00 1.00 H new ATOM 0 HG2 ARG X 57 85.315 11.187 1.848 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.065 10.127 0.475 1.00 1.00 H new ATOM 0 HD2 ARG X 57 83.044 11.525 0.886 1.00 1.00 H new ATOM 0 HD3 ARG X 57 82.675 9.826 1.103 1.00 1.00 H new ATOM 0 HE ARG X 57 82.408 10.183 3.477 1.00 1.00 H new ATOM 0 HH11 ARG X 57 83.764 12.898 1.742 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.585 14.015 3.099 1.00 1.00 H new ATOM 0 HH21 ARG X 57 82.180 11.610 5.212 1.00 1.00 H new ATOM 0 HH22 ARG X 57 82.696 13.292 5.047 1.00 1.00 H new ATOM 976 N ARG X 58 85.557 6.090 2.908 1.00 1.00 N ATOM 977 CA ARG X 58 85.964 5.013 3.852 1.00 1.00 C ATOM 978 C ARG X 58 87.080 4.177 3.223 1.00 1.00 C ATOM 979 O ARG X 58 88.018 3.779 3.883 1.00 1.00 O ATOM 980 CB ARG X 58 84.762 4.115 4.150 1.00 1.00 C ATOM 981 CG ARG X 58 83.759 4.876 5.020 1.00 1.00 C ATOM 982 CD ARG X 58 82.524 4.005 5.258 1.00 1.00 C ATOM 983 NE ARG X 58 82.922 2.763 5.979 1.00 1.00 N ATOM 984 CZ ARG X 58 82.010 1.925 6.388 1.00 1.00 C ATOM 985 NH1 ARG X 58 80.748 2.173 6.165 1.00 1.00 N ATOM 986 NH2 ARG X 58 82.360 0.837 7.019 1.00 1.00 N ATOM 0 H ARG X 58 84.610 6.008 2.538 1.00 1.00 H new ATOM 0 HA ARG X 58 86.323 5.460 4.779 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.289 3.803 3.219 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.089 3.209 4.661 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.217 5.143 5.972 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.471 5.807 4.532 1.00 1.00 H new ATOM 0 HD2 ARG X 58 81.785 4.555 5.840 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.056 3.752 4.307 1.00 1.00 H new ATOM 0 HE ARG X 58 83.908 2.568 6.153 1.00 1.00 H new ATOM 0 HH11 ARG X 58 80.475 3.022 5.671 1.00 1.00 H new ATOM 0 HH12 ARG X 58 80.035 1.517 6.485 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.346 0.643 7.192 1.00 1.00 H new ATOM 0 HH22 ARG X 58 81.647 0.181 7.339 1.00 1.00 H new ATOM 1000 N VAL X 59 86.985 3.909 1.950 1.00 1.00 N ATOM 1001 CA VAL X 59 88.035 3.090 1.281 1.00 1.00 C ATOM 1002 C VAL X 59 89.374 3.826 1.353 1.00 1.00 C ATOM 1003 O VAL X 59 90.402 3.239 1.626 1.00 1.00 O ATOM 1004 CB VAL X 59 87.653 2.866 -0.183 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.817 2.201 -0.920 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.421 1.961 -0.256 1.00 1.00 C ATOM 0 H VAL X 59 86.226 4.221 1.344 1.00 1.00 H new ATOM 0 HA VAL X 59 88.121 2.127 1.783 1.00 1.00 H new ATOM 0 HB VAL X 59 87.429 3.825 -0.649 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.544 2.042 -1.963 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.695 2.845 -0.869 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.043 1.242 -0.454 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.148 1.801 -1.299 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.646 1.002 0.211 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.590 2.434 0.268 1.00 1.00 H new ATOM 1016 N GLY X 60 89.370 5.107 1.110 1.00 1.00 N ATOM 1017 CA GLY X 60 90.644 5.879 1.153 1.00 1.00 C ATOM 1018 C GLY X 60 91.269 5.758 2.544 1.00 1.00 C ATOM 1019 O GLY X 60 92.450 5.506 2.683 1.00 1.00 O ATOM 0 H GLY X 60 88.539 5.653 0.883 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.335 5.503 0.399 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.455 6.926 0.918 1.00 1.00 H new ATOM 1023 N ASP X 61 90.488 5.934 3.574 1.00 1.00 N ATOM 1024 CA ASP X 61 91.040 5.833 4.953 1.00 1.00 C ATOM 1025 C ASP X 61 91.396 4.376 5.255 1.00 1.00 C ATOM 1026 O ASP X 61 92.424 4.084 5.831 1.00 1.00 O ATOM 1027 CB ASP X 61 89.996 6.323 5.959 1.00 1.00 C ATOM 1028 CG ASP X 61 90.083 7.845 6.086 1.00 1.00 C ATOM 1029 OD1 ASP X 61 90.941 8.425 5.442 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.289 8.404 6.824 1.00 1.00 O ATOM 0 H ASP X 61 89.491 6.143 3.520 1.00 1.00 H new ATOM 0 HA ASP X 61 91.936 6.449 5.031 1.00 1.00 H new ATOM 0 HB2 ASP X 61 88.997 6.031 5.634 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.164 5.856 6.930 1.00 1.00 H new ATOM 1035 N CYS X 62 90.552 3.458 4.869 1.00 1.00 N ATOM 1036 CA CYS X 62 90.831 2.024 5.155 1.00 1.00 C ATOM 1037 C CYS X 62 92.097 1.591 4.413 1.00 1.00 C ATOM 1038 O CYS X 62 92.984 0.985 4.981 1.00 1.00 O ATOM 1039 CB CYS X 62 89.650 1.171 4.686 1.00 1.00 C ATOM 1040 SG CYS X 62 88.167 1.628 5.618 1.00 1.00 S ATOM 0 H CYS X 62 89.682 3.640 4.368 1.00 1.00 H new ATOM 0 HA CYS X 62 90.974 1.890 6.227 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.482 1.319 3.619 1.00 1.00 H new ATOM 0 HB3 CYS X 62 89.872 0.114 4.830 1.00 1.00 H new ATOM 0 HG CYS X 62 87.712 2.764 5.179 1.00 1.00 H new ATOM 1046 N PHE X 63 92.190 1.899 3.148 1.00 1.00 N ATOM 1047 CA PHE X 63 93.396 1.494 2.371 1.00 1.00 C ATOM 1048 C PHE X 63 94.636 2.159 2.970 1.00 1.00 C ATOM 1049 O PHE X 63 95.690 1.562 3.062 1.00 1.00 O ATOM 1050 CB PHE X 63 93.234 1.933 0.914 1.00 1.00 C ATOM 1051 CG PHE X 63 92.663 0.795 0.105 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.632 0.009 0.633 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.166 0.523 -1.174 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.102 -1.047 -0.118 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.637 -0.535 -1.924 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.604 -1.320 -1.396 1.00 1.00 C ATOM 0 H PHE X 63 91.485 2.413 2.620 1.00 1.00 H new ATOM 0 HA PHE X 63 93.509 0.411 2.414 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.576 2.800 0.856 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.198 2.236 0.505 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.245 0.217 1.620 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.962 1.129 -1.582 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.305 -1.652 0.289 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.026 -0.746 -2.909 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.195 -2.135 -1.974 1.00 1.00 H new ATOM 1066 N GLN X 64 94.519 3.394 3.380 1.00 1.00 N ATOM 1067 CA GLN X 64 95.691 4.094 3.978 1.00 1.00 C ATOM 1068 C GLN X 64 96.129 3.361 5.248 1.00 1.00 C ATOM 1069 O GLN X 64 97.305 3.216 5.517 1.00 1.00 O ATOM 1070 CB GLN X 64 95.301 5.531 4.328 1.00 1.00 C ATOM 1071 CG GLN X 64 96.535 6.289 4.824 1.00 1.00 C ATOM 1072 CD GLN X 64 96.132 7.707 5.237 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.316 7.886 6.117 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.676 8.728 4.634 1.00 1.00 N ATOM 0 H GLN X 64 93.664 3.947 3.326 1.00 1.00 H new ATOM 0 HA GLN X 64 96.513 4.104 3.262 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.883 6.029 3.453 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.527 5.532 5.096 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.981 5.765 5.670 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.290 6.328 4.039 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.362 8.577 3.894 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.415 9.677 4.902 1.00 1.00 H new ATOM 1083 N ASP X 65 95.194 2.899 6.031 1.00 1.00 N ATOM 1084 CA ASP X 65 95.561 2.169 7.276 1.00 1.00 C ATOM 1085 C ASP X 65 96.322 0.894 6.907 1.00 1.00 C ATOM 1086 O ASP X 65 97.324 0.561 7.508 1.00 1.00 O ATOM 1087 CB ASP X 65 94.291 1.802 8.045 1.00 1.00 C ATOM 1088 CG ASP X 65 93.871 2.978 8.930 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.635 3.925 9.023 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.795 2.911 9.498 1.00 1.00 O ATOM 0 H ASP X 65 94.193 2.995 5.863 1.00 1.00 H new ATOM 0 HA ASP X 65 96.191 2.803 7.900 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.490 1.554 7.348 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.467 0.917 8.657 1.00 1.00 H new ATOM 1095 N TYR X 66 95.853 0.176 5.922 1.00 1.00 N ATOM 1096 CA TYR X 66 96.542 -1.083 5.523 1.00 1.00 C ATOM 1097 C TYR X 66 97.929 -0.752 4.970 1.00 1.00 C ATOM 1098 O TYR X 66 98.875 -1.489 5.161 1.00 1.00 O ATOM 1099 CB TYR X 66 95.721 -1.794 4.446 1.00 1.00 C ATOM 1100 CG TYR X 66 94.521 -2.457 5.080 1.00 1.00 C ATOM 1101 CD1 TYR X 66 94.699 -3.522 5.972 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.231 -2.007 4.776 1.00 1.00 C ATOM 1103 CE1 TYR X 66 93.586 -4.137 6.559 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.119 -2.621 5.364 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.296 -3.686 6.255 1.00 1.00 C ATOM 1106 OH TYR X 66 91.199 -4.291 6.834 1.00 1.00 O ATOM 0 H TYR X 66 95.023 0.408 5.377 1.00 1.00 H new ATOM 0 HA TYR X 66 96.643 -1.733 6.392 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.397 -1.079 3.690 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.335 -2.538 3.939 1.00 1.00 H new ATOM 0 HD1 TYR X 66 95.694 -3.869 6.207 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.094 -1.186 4.088 1.00 1.00 H new ATOM 0 HE1 TYR X 66 93.723 -4.959 7.246 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.124 -2.273 5.130 1.00 1.00 H new ATOM 0 HH TYR X 66 90.380 -3.856 6.517 1.00 1.00 H new ATOM 1116 N TYR X 67 98.057 0.352 4.288 1.00 1.00 N ATOM 1117 CA TYR X 67 99.385 0.728 3.727 1.00 1.00 C ATOM 1118 C TYR X 67 100.401 0.852 4.863 1.00 1.00 C ATOM 1119 O TYR X 67 101.444 0.230 4.847 1.00 1.00 O ATOM 1120 CB TYR X 67 99.269 2.069 2.998 1.00 1.00 C ATOM 1121 CG TYR X 67 100.610 2.763 3.007 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.668 2.251 2.247 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.794 3.919 3.775 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.912 2.894 2.256 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.037 4.562 3.784 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.096 4.051 3.024 1.00 1.00 C ATOM 1127 OH TYR X 67 104.322 4.685 3.033 1.00 1.00 O ATOM 0 H TYR X 67 97.301 1.009 4.095 1.00 1.00 H new ATOM 0 HA TYR X 67 99.715 -0.039 3.027 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.936 1.910 1.972 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.520 2.695 3.483 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.525 1.360 1.654 1.00 1.00 H new ATOM 0 HD2 TYR X 67 99.977 4.314 4.360 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.729 2.498 1.671 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.179 5.453 4.378 1.00 1.00 H new ATOM 0 HH TYR X 67 104.279 5.472 3.615 1.00 1.00 H new ATOM 1137 N ASN X 68 100.104 1.651 5.852 1.00 1.00 N ATOM 1138 CA ASN X 68 101.057 1.817 6.985 1.00 1.00 C ATOM 1139 C ASN X 68 101.176 0.494 7.744 1.00 1.00 C ATOM 1140 O ASN X 68 102.236 0.131 8.215 1.00 1.00 O ATOM 1141 CB ASN X 68 100.543 2.905 7.930 1.00 1.00 C ATOM 1142 CG ASN X 68 100.755 4.278 7.291 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.593 4.436 6.426 1.00 1.00 O ATOM 1144 ND2 ASN X 68 100.024 5.286 7.683 1.00 1.00 N ATOM 0 H ASN X 68 99.244 2.195 5.924 1.00 1.00 H new ATOM 0 HA ASN X 68 102.035 2.106 6.600 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.485 2.749 8.140 1.00 1.00 H new ATOM 0 HB3 ASN X 68 101.068 2.851 8.884 1.00 1.00 H new ATOM 0 HD21 ASN X 68 100.157 6.206 7.263 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.320 5.154 8.409 1.00 1.00 H new ATOM 1151 N THR X 69 100.097 -0.230 7.866 1.00 1.00 N ATOM 1152 CA THR X 69 100.143 -1.515 8.617 1.00 1.00 C ATOM 1153 C THR X 69 101.093 -2.481 7.908 1.00 1.00 C ATOM 1154 O THR X 69 101.945 -3.092 8.522 1.00 1.00 O ATOM 1155 CB THR X 69 98.740 -2.125 8.674 1.00 1.00 C ATOM 1156 OG1 THR X 69 97.810 -1.133 9.086 1.00 1.00 O ATOM 1157 CG2 THR X 69 98.726 -3.285 9.669 1.00 1.00 C ATOM 0 H THR X 69 99.186 0.013 7.478 1.00 1.00 H new ATOM 0 HA THR X 69 100.498 -1.333 9.631 1.00 1.00 H new ATOM 0 HB THR X 69 98.464 -2.494 7.686 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.382 -0.738 8.298 1.00 1.00 H new ATOM 0 HG21 THR X 69 97.727 -3.718 9.709 1.00 1.00 H new ATOM 0 HG22 THR X 69 99.439 -4.046 9.351 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.002 -2.919 10.658 1.00 1.00 H new ATOM 1165 N PHE X 70 100.955 -2.623 6.617 1.00 1.00 N ATOM 1166 CA PHE X 70 101.818 -3.587 5.879 1.00 1.00 C ATOM 1167 C PHE X 70 102.721 -2.817 4.913 1.00 1.00 C ATOM 1168 O PHE X 70 103.926 -2.981 4.910 1.00 1.00 O ATOM 1169 CB PHE X 70 100.939 -4.558 5.089 1.00 1.00 C ATOM 1170 CG PHE X 70 100.266 -5.517 6.042 1.00 1.00 C ATOM 1171 CD1 PHE X 70 100.961 -6.636 6.515 1.00 1.00 C ATOM 1172 CD2 PHE X 70 98.948 -5.286 6.453 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.338 -7.526 7.398 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.325 -6.176 7.336 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.020 -7.296 7.809 1.00 1.00 C ATOM 0 H PHE X 70 100.283 -2.114 6.043 1.00 1.00 H new ATOM 0 HA PHE X 70 102.430 -4.146 6.587 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.189 -4.007 4.521 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.544 -5.109 4.368 1.00 1.00 H new ATOM 0 HD1 PHE X 70 101.978 -6.813 6.199 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.412 -4.422 6.089 1.00 1.00 H new ATOM 0 HE1 PHE X 70 100.874 -8.390 7.762 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.308 -5.999 7.653 1.00 1.00 H new ATOM 0 HZ PHE X 70 98.539 -7.982 8.491 1.00 1.00 H new ATOM 1185 N GLY X 71 102.148 -1.977 4.095 1.00 1.00 N ATOM 1186 CA GLY X 71 102.970 -1.210 3.119 1.00 1.00 C ATOM 1187 C GLY X 71 102.230 -1.128 1.783 1.00 1.00 C ATOM 1188 O GLY X 71 101.051 -1.411 1.698 1.00 1.00 O ATOM 0 H GLY X 71 101.146 -1.789 4.061 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.166 -0.208 3.501 1.00 1.00 H new ATOM 0 HA3 GLY X 71 103.937 -1.694 2.982 1.00 1.00 H new ATOM 1192 N PRO X 72 102.923 -0.741 0.748 1.00 1.00 N ATOM 1193 CA PRO X 72 102.340 -0.617 -0.617 1.00 1.00 C ATOM 1194 C PRO X 72 101.949 -1.978 -1.198 1.00 1.00 C ATOM 1195 O PRO X 72 101.196 -2.066 -2.147 1.00 1.00 O ATOM 1196 CB PRO X 72 103.457 0.024 -1.457 1.00 1.00 C ATOM 1197 CG PRO X 72 104.523 0.449 -0.496 1.00 1.00 C ATOM 1198 CD PRO X 72 104.342 -0.381 0.765 1.00 1.00 C ATOM 0 HA PRO X 72 101.424 -0.027 -0.607 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.851 -0.686 -2.184 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.078 0.878 -2.018 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.513 0.290 -0.923 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.439 1.513 -0.273 1.00 1.00 H new ATOM 0 HD2 PRO X 72 104.979 -1.266 0.756 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.599 0.188 1.658 1.00 1.00 H new ATOM 1206 N GLU X 73 102.450 -3.043 -0.632 1.00 1.00 N ATOM 1207 CA GLU X 73 102.114 -4.394 -1.161 1.00 1.00 C ATOM 1208 C GLU X 73 100.602 -4.609 -1.068 1.00 1.00 C ATOM 1209 O GLU X 73 99.947 -4.918 -2.043 1.00 1.00 O ATOM 1210 CB GLU X 73 102.834 -5.461 -0.334 1.00 1.00 C ATOM 1211 CG GLU X 73 104.339 -5.385 -0.600 1.00 1.00 C ATOM 1212 CD GLU X 73 105.068 -6.375 0.311 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.403 -7.024 1.101 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.280 -6.467 0.202 1.00 1.00 O ATOM 0 H GLU X 73 103.077 -3.035 0.173 1.00 1.00 H new ATOM 0 HA GLU X 73 102.431 -4.469 -2.201 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.634 -5.310 0.727 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.458 -6.451 -0.592 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.547 -5.615 -1.645 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.701 -4.373 -0.418 1.00 1.00 H new ATOM 1221 N LYS X 74 100.043 -4.446 0.101 1.00 1.00 N ATOM 1222 CA LYS X 74 98.575 -4.642 0.258 1.00 1.00 C ATOM 1223 C LYS X 74 97.831 -3.599 -0.577 1.00 1.00 C ATOM 1224 O LYS X 74 96.868 -3.902 -1.253 1.00 1.00 O ATOM 1225 CB LYS X 74 98.194 -4.480 1.732 1.00 1.00 C ATOM 1226 CG LYS X 74 98.835 -5.604 2.551 1.00 1.00 C ATOM 1227 CD LYS X 74 98.237 -6.948 2.130 1.00 1.00 C ATOM 1228 CE LYS X 74 98.428 -7.966 3.256 1.00 1.00 C ATOM 1229 NZ LYS X 74 97.865 -9.280 2.837 1.00 1.00 N ATOM 0 H LYS X 74 100.540 -4.186 0.953 1.00 1.00 H new ATOM 0 HA LYS X 74 98.303 -5.642 -0.080 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.529 -3.510 2.101 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.110 -4.507 1.844 1.00 1.00 H new ATOM 0 HG2 LYS X 74 99.914 -5.610 2.397 1.00 1.00 H new ATOM 0 HG3 LYS X 74 98.665 -5.436 3.614 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.177 -6.832 1.906 1.00 1.00 H new ATOM 0 HD3 LYS X 74 98.718 -7.303 1.219 1.00 1.00 H new ATOM 0 HE2 LYS X 74 99.487 -8.070 3.491 1.00 1.00 H new ATOM 0 HE3 LYS X 74 97.933 -7.619 4.163 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 97.994 -9.973 3.602 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 96.851 -9.174 2.634 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.357 -9.612 1.983 1.00 1.00 H new ATOM 1243 N VAL X 75 98.272 -2.372 -0.536 1.00 1.00 N ATOM 1244 CA VAL X 75 97.587 -1.308 -1.322 1.00 1.00 C ATOM 1245 C VAL X 75 98.610 -0.257 -1.755 1.00 1.00 C ATOM 1246 O VAL X 75 98.886 0.685 -1.038 1.00 1.00 O ATOM 1247 CB VAL X 75 96.514 -0.648 -0.456 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.445 -1.680 -0.091 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.154 -0.105 0.824 1.00 1.00 C ATOM 0 H VAL X 75 99.077 -2.060 0.008 1.00 1.00 H new ATOM 0 HA VAL X 75 97.123 -1.748 -2.204 1.00 1.00 H new ATOM 0 HB VAL X 75 96.055 0.171 -1.010 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.680 -1.209 0.526 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.988 -2.068 -1.001 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.904 -2.499 0.462 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.389 0.366 1.442 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.614 -0.924 1.377 1.00 1.00 H new ATOM 0 HG23 VAL X 75 97.916 0.631 0.566 1.00 1.00 H new ATOM 1259 N PRO X 76 99.168 -0.421 -2.924 1.00 1.00 N ATOM 1260 CA PRO X 76 100.194 0.510 -3.467 1.00 1.00 C ATOM 1261 C PRO X 76 99.566 1.746 -4.118 1.00 1.00 C ATOM 1262 O PRO X 76 98.395 2.020 -3.954 1.00 1.00 O ATOM 1263 CB PRO X 76 100.924 -0.335 -4.509 1.00 1.00 C ATOM 1264 CG PRO X 76 99.938 -1.371 -4.942 1.00 1.00 C ATOM 1265 CD PRO X 76 98.877 -1.520 -3.858 1.00 1.00 C ATOM 0 HA PRO X 76 100.847 0.901 -2.687 1.00 1.00 H new ATOM 0 HB2 PRO X 76 101.249 0.275 -5.352 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.817 -0.795 -4.086 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.476 -1.081 -5.886 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.441 -2.323 -5.112 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.871 -1.438 -4.270 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.942 -2.490 -3.366 1.00 1.00 H new ATOM 1273 N VAL X 77 100.340 2.494 -4.860 1.00 1.00 N ATOM 1274 CA VAL X 77 99.791 3.716 -5.513 1.00 1.00 C ATOM 1275 C VAL X 77 98.838 3.307 -6.638 1.00 1.00 C ATOM 1276 O VAL X 77 98.101 4.115 -7.165 1.00 1.00 O ATOM 1277 CB VAL X 77 100.939 4.543 -6.095 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.771 5.134 -4.954 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.826 3.646 -6.960 1.00 1.00 C ATOM 0 H VAL X 77 101.327 2.311 -5.041 1.00 1.00 H new ATOM 0 HA VAL X 77 99.251 4.311 -4.776 1.00 1.00 H new ATOM 0 HB VAL X 77 100.533 5.350 -6.705 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.589 5.723 -5.368 1.00 1.00 H new ATOM 0 HG12 VAL X 77 101.140 5.773 -4.336 1.00 1.00 H new ATOM 0 HG13 VAL X 77 102.177 4.327 -4.344 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.644 4.235 -7.375 1.00 1.00 H new ATOM 0 HG22 VAL X 77 102.232 2.839 -6.350 1.00 1.00 H new ATOM 0 HG23 VAL X 77 101.234 3.224 -7.772 1.00 1.00 H new ATOM 1289 N THR X 78 98.849 2.056 -7.012 1.00 1.00 N ATOM 1290 CA THR X 78 97.946 1.597 -8.103 1.00 1.00 C ATOM 1291 C THR X 78 96.492 1.707 -7.640 1.00 1.00 C ATOM 1292 O THR X 78 95.600 1.976 -8.420 1.00 1.00 O ATOM 1293 CB THR X 78 98.261 0.139 -8.451 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.773 -0.707 -7.419 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.774 -0.040 -8.588 1.00 1.00 C ATOM 0 H THR X 78 99.445 1.333 -6.608 1.00 1.00 H new ATOM 0 HA THR X 78 98.097 2.220 -8.984 1.00 1.00 H new ATOM 0 HB THR X 78 97.781 -0.122 -9.394 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.972 -1.641 -7.640 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.997 -1.078 -8.836 1.00 1.00 H new ATOM 0 HG22 THR X 78 100.147 0.610 -9.379 1.00 1.00 H new ATOM 0 HG23 THR X 78 100.258 0.220 -7.647 1.00 1.00 H new ATOM 1303 N ALA X 79 96.245 1.500 -6.375 1.00 1.00 N ATOM 1304 CA ALA X 79 94.849 1.589 -5.864 1.00 1.00 C ATOM 1305 C ALA X 79 94.276 2.970 -6.186 1.00 1.00 C ATOM 1306 O ALA X 79 93.171 3.096 -6.675 1.00 1.00 O ATOM 1307 CB ALA X 79 94.846 1.377 -4.348 1.00 1.00 C ATOM 0 H ALA X 79 96.950 1.273 -5.674 1.00 1.00 H new ATOM 0 HA ALA X 79 94.238 0.822 -6.340 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.824 1.442 -3.974 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.255 0.393 -4.117 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.456 2.144 -3.872 1.00 1.00 H new ATOM 1313 N PHE X 80 95.020 4.007 -5.915 1.00 1.00 N ATOM 1314 CA PHE X 80 94.515 5.380 -6.198 1.00 1.00 C ATOM 1315 C PHE X 80 94.337 5.555 -7.708 1.00 1.00 C ATOM 1316 O PHE X 80 93.334 6.062 -8.170 1.00 1.00 O ATOM 1317 CB PHE X 80 95.522 6.410 -5.682 1.00 1.00 C ATOM 1318 CG PHE X 80 95.550 6.370 -4.173 1.00 1.00 C ATOM 1319 CD1 PHE X 80 94.674 7.175 -3.435 1.00 1.00 C ATOM 1320 CD2 PHE X 80 96.452 5.528 -3.511 1.00 1.00 C ATOM 1321 CE1 PHE X 80 94.700 7.138 -2.035 1.00 1.00 C ATOM 1322 CE2 PHE X 80 96.478 5.491 -2.112 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.601 6.296 -1.374 1.00 1.00 C ATOM 0 H PHE X 80 95.955 3.963 -5.510 1.00 1.00 H new ATOM 0 HA PHE X 80 93.557 5.526 -5.698 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.514 6.197 -6.081 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.247 7.407 -6.026 1.00 1.00 H new ATOM 0 HD1 PHE X 80 93.978 7.825 -3.945 1.00 1.00 H new ATOM 0 HD2 PHE X 80 97.128 4.907 -4.080 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.025 7.759 -1.466 1.00 1.00 H new ATOM 0 HE2 PHE X 80 97.174 4.842 -1.602 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.620 6.267 -0.295 1.00 1.00 H new ATOM 1333 N SER X 81 95.304 5.140 -8.479 1.00 1.00 N ATOM 1334 CA SER X 81 95.190 5.278 -9.958 1.00 1.00 C ATOM 1335 C SER X 81 93.963 4.506 -10.448 1.00 1.00 C ATOM 1336 O SER X 81 93.171 5.007 -11.222 1.00 1.00 O ATOM 1337 CB SER X 81 96.448 4.715 -10.622 1.00 1.00 C ATOM 1338 OG SER X 81 97.572 5.494 -10.234 1.00 1.00 O ATOM 0 H SER X 81 96.168 4.711 -8.148 1.00 1.00 H new ATOM 0 HA SER X 81 95.084 6.331 -10.218 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.593 3.675 -10.330 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.338 4.729 -11.706 1.00 1.00 H new ATOM 0 HG SER X 81 98.380 5.135 -10.656 1.00 1.00 H new ATOM 1344 N TYR X 82 93.798 3.290 -10.002 1.00 1.00 N ATOM 1345 CA TYR X 82 92.621 2.489 -10.442 1.00 1.00 C ATOM 1346 C TYR X 82 91.335 3.169 -9.969 1.00 1.00 C ATOM 1347 O TYR X 82 90.356 3.232 -10.686 1.00 1.00 O ATOM 1348 CB TYR X 82 92.709 1.083 -9.844 1.00 1.00 C ATOM 1349 CG TYR X 82 93.461 0.174 -10.788 1.00 1.00 C ATOM 1350 CD1 TYR X 82 94.742 0.528 -11.225 1.00 1.00 C ATOM 1351 CD2 TYR X 82 92.876 -1.020 -11.225 1.00 1.00 C ATOM 1352 CE1 TYR X 82 95.441 -0.313 -12.099 1.00 1.00 C ATOM 1353 CE2 TYR X 82 93.575 -1.862 -12.100 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.857 -1.508 -12.536 1.00 1.00 C ATOM 1355 OH TYR X 82 95.546 -2.337 -13.398 1.00 1.00 O ATOM 0 H TYR X 82 94.427 2.817 -9.353 1.00 1.00 H new ATOM 0 HA TYR X 82 92.614 2.420 -11.530 1.00 1.00 H new ATOM 0 HB2 TYR X 82 93.214 1.119 -8.879 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.708 0.690 -9.666 1.00 1.00 H new ATOM 0 HD1 TYR X 82 95.192 1.450 -10.888 1.00 1.00 H new ATOM 0 HD2 TYR X 82 91.887 -1.292 -10.888 1.00 1.00 H new ATOM 0 HE1 TYR X 82 96.430 -0.040 -12.436 1.00 1.00 H new ATOM 0 HE2 TYR X 82 93.125 -2.784 -12.438 1.00 1.00 H new ATOM 0 HH TYR X 82 95.754 -3.181 -12.944 1.00 1.00 H new ATOM 1365 N TRP X 83 91.328 3.678 -8.768 1.00 1.00 N ATOM 1366 CA TRP X 83 90.103 4.355 -8.253 1.00 1.00 C ATOM 1367 C TRP X 83 89.782 5.562 -9.135 1.00 1.00 C ATOM 1368 O TRP X 83 88.635 5.855 -9.410 1.00 1.00 O ATOM 1369 CB TRP X 83 90.345 4.822 -6.817 1.00 1.00 C ATOM 1370 CG TRP X 83 89.042 4.877 -6.084 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.224 5.953 -6.033 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.393 3.832 -5.302 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.115 5.636 -5.271 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.173 4.340 -4.798 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.742 2.506 -4.986 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.328 3.561 -4.006 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.893 1.720 -4.190 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.690 2.246 -3.702 1.00 1.00 C ATOM 0 H TRP X 83 92.116 3.655 -8.121 1.00 1.00 H new ATOM 0 HA TRP X 83 89.265 3.658 -8.271 1.00 1.00 H new ATOM 0 HB2 TRP X 83 91.030 4.141 -6.312 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.816 5.805 -6.817 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.407 6.905 -6.510 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.348 6.281 -5.081 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.667 2.091 -5.357 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.402 3.971 -3.631 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 88.169 0.703 -3.953 1.00 1.00 H new ATOM 0 HH2 TRP X 83 86.042 1.635 -3.091 1.00 1.00 H new ATOM 1389 N ASN X 84 90.786 6.263 -9.583 1.00 1.00 N ATOM 1390 CA ASN X 84 90.541 7.438 -10.465 1.00 1.00 C ATOM 1391 C ASN X 84 89.729 6.993 -11.683 1.00 1.00 C ATOM 1392 O ASN X 84 88.808 7.661 -12.107 1.00 1.00 O ATOM 1393 CB ASN X 84 91.879 8.022 -10.924 1.00 1.00 C ATOM 1394 CG ASN X 84 92.577 8.692 -9.740 1.00 1.00 C ATOM 1395 OD1 ASN X 84 91.948 9.020 -8.754 1.00 1.00 O ATOM 1396 ND2 ASN X 84 93.863 8.908 -9.795 1.00 1.00 N ATOM 0 H ASN X 84 91.767 6.073 -9.376 1.00 1.00 H new ATOM 0 HA ASN X 84 89.987 8.199 -9.916 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.511 7.234 -11.333 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.717 8.747 -11.722 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.340 9.352 -9.010 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.391 8.633 -10.623 1.00 1.00 H new ATOM 1403 N LEU X 85 90.067 5.866 -12.249 1.00 1.00 N ATOM 1404 CA LEU X 85 89.298 5.357 -13.420 1.00 1.00 C ATOM 1405 C LEU X 85 87.857 5.064 -12.999 1.00 1.00 C ATOM 1406 O LEU X 85 86.919 5.360 -13.712 1.00 1.00 O ATOM 1407 CB LEU X 85 89.949 4.075 -13.940 1.00 1.00 C ATOM 1408 CG LEU X 85 91.296 4.410 -14.581 1.00 1.00 C ATOM 1409 CD1 LEU X 85 92.041 3.116 -14.913 1.00 1.00 C ATOM 1410 CD2 LEU X 85 91.060 5.205 -15.867 1.00 1.00 C ATOM 0 H LEU X 85 90.843 5.275 -11.950 1.00 1.00 H new ATOM 0 HA LEU X 85 89.298 6.110 -14.208 1.00 1.00 H new ATOM 0 HB2 LEU X 85 90.089 3.368 -13.122 1.00 1.00 H new ATOM 0 HB3 LEU X 85 89.297 3.593 -14.669 1.00 1.00 H new ATOM 0 HG LEU X 85 91.892 5.003 -13.887 1.00 1.00 H new ATOM 0 HD11 LEU X 85 93.001 3.356 -15.370 1.00 1.00 H new ATOM 0 HD12 LEU X 85 92.207 2.547 -13.998 1.00 1.00 H new ATOM 0 HD13 LEU X 85 91.447 2.522 -15.608 1.00 1.00 H new ATOM 0 HD21 LEU X 85 92.018 5.446 -16.327 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.465 4.609 -16.559 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.528 6.127 -15.632 1.00 1.00 H new ATOM 1422 N ILE X 86 87.672 4.484 -11.845 1.00 1.00 N ATOM 1423 CA ILE X 86 86.290 4.183 -11.375 1.00 1.00 C ATOM 1424 C ILE X 86 85.524 5.492 -11.177 1.00 1.00 C ATOM 1425 O ILE X 86 84.378 5.616 -11.557 1.00 1.00 O ATOM 1426 CB ILE X 86 86.356 3.427 -10.047 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.594 1.939 -10.319 1.00 1.00 C ATOM 1428 CG2 ILE X 86 85.036 3.601 -9.294 1.00 1.00 C ATOM 1429 CD1 ILE X 86 85.251 1.233 -10.508 1.00 1.00 C ATOM 0 H ILE X 86 88.418 4.206 -11.207 1.00 1.00 H new ATOM 0 HA ILE X 86 85.779 3.570 -12.117 1.00 1.00 H new ATOM 0 HB ILE X 86 87.173 3.823 -9.444 1.00 1.00 H new ATOM 0 HG12 ILE X 86 87.210 1.815 -11.210 1.00 1.00 H new ATOM 0 HG13 ILE X 86 87.139 1.490 -9.489 1.00 1.00 H new ATOM 0 HG21 ILE X 86 85.083 3.062 -8.348 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.864 4.660 -9.101 1.00 1.00 H new ATOM 0 HG23 ILE X 86 84.218 3.205 -9.897 1.00 1.00 H new ATOM 0 HD11 ILE X 86 85.421 0.174 -10.702 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.651 1.345 -9.605 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.723 1.676 -11.352 1.00 1.00 H new ATOM 1441 N LYS X 87 86.151 6.471 -10.585 1.00 1.00 N ATOM 1442 CA LYS X 87 85.462 7.773 -10.365 1.00 1.00 C ATOM 1443 C LYS X 87 84.882 8.274 -11.689 1.00 1.00 C ATOM 1444 O LYS X 87 83.807 8.839 -11.733 1.00 1.00 O ATOM 1445 CB LYS X 87 86.465 8.797 -9.827 1.00 1.00 C ATOM 1446 CG LYS X 87 85.728 10.083 -9.449 1.00 1.00 C ATOM 1447 CD LYS X 87 86.732 11.111 -8.923 1.00 1.00 C ATOM 1448 CE LYS X 87 85.996 12.398 -8.548 1.00 1.00 C ATOM 1449 NZ LYS X 87 86.962 13.373 -7.967 1.00 1.00 N ATOM 0 H LYS X 87 87.111 6.425 -10.244 1.00 1.00 H new ATOM 0 HA LYS X 87 84.656 7.640 -9.643 1.00 1.00 H new ATOM 0 HB2 LYS X 87 86.982 8.393 -8.957 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.224 9.008 -10.580 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.203 10.482 -10.317 1.00 1.00 H new ATOM 0 HG3 LYS X 87 84.975 9.873 -8.690 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.255 10.712 -8.054 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.487 11.319 -9.681 1.00 1.00 H new ATOM 0 HE2 LYS X 87 85.517 12.825 -9.429 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.206 12.181 -7.829 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 86.461 14.248 -7.712 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 87.399 12.964 -7.117 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 87.701 13.588 -8.666 1.00 1.00 H new ATOM 1463 N GLU X 88 85.583 8.070 -12.770 1.00 1.00 N ATOM 1464 CA GLU X 88 85.083 8.561 -14.086 1.00 1.00 C ATOM 1465 C GLU X 88 83.871 7.729 -14.509 1.00 1.00 C ATOM 1466 O GLU X 88 82.887 8.251 -14.997 1.00 1.00 O ATOM 1467 CB GLU X 88 86.188 8.424 -15.137 1.00 1.00 C ATOM 1468 CG GLU X 88 87.323 9.397 -14.814 1.00 1.00 C ATOM 1469 CD GLU X 88 88.467 9.195 -15.810 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.363 8.294 -16.626 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.427 9.944 -15.740 1.00 1.00 O ATOM 0 H GLU X 88 86.480 7.585 -12.800 1.00 1.00 H new ATOM 0 HA GLU X 88 84.795 9.609 -13.999 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.565 7.401 -15.153 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.788 8.632 -16.130 1.00 1.00 H new ATOM 0 HG2 GLU X 88 86.961 10.424 -14.863 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.679 9.233 -13.797 1.00 1.00 H new ATOM 1478 N LEU X 89 83.931 6.439 -14.324 1.00 1.00 N ATOM 1479 CA LEU X 89 82.796 5.572 -14.746 1.00 1.00 C ATOM 1480 C LEU X 89 81.537 5.973 -13.976 1.00 1.00 C ATOM 1481 O LEU X 89 80.478 6.150 -14.545 1.00 1.00 O ATOM 1482 CB LEU X 89 83.133 4.109 -14.449 1.00 1.00 C ATOM 1483 CG LEU X 89 83.752 3.464 -15.691 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.956 4.289 -16.150 1.00 1.00 C ATOM 1485 CD2 LEU X 89 84.208 2.043 -15.353 1.00 1.00 C ATOM 0 H LEU X 89 84.717 5.948 -13.899 1.00 1.00 H new ATOM 0 HA LEU X 89 82.623 5.694 -15.815 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.827 4.048 -13.611 1.00 1.00 H new ATOM 0 HB3 LEU X 89 82.232 3.569 -14.157 1.00 1.00 H new ATOM 0 HG LEU X 89 83.011 3.429 -16.489 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.396 3.829 -17.035 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.633 5.302 -16.390 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.698 4.325 -15.352 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.649 1.582 -16.237 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.949 2.079 -14.554 1.00 1.00 H new ATOM 0 HD23 LEU X 89 83.351 1.454 -15.026 1.00 1.00 H new ATOM 1497 N ILE X 90 81.643 6.117 -12.684 1.00 1.00 N ATOM 1498 CA ILE X 90 80.447 6.477 -11.873 1.00 1.00 C ATOM 1499 C ILE X 90 80.084 7.941 -12.124 1.00 1.00 C ATOM 1500 O ILE X 90 78.925 8.305 -12.166 1.00 1.00 O ATOM 1501 CB ILE X 90 80.757 6.274 -10.389 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.900 7.204 -9.976 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.172 4.822 -10.147 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.350 6.859 -8.555 1.00 1.00 C ATOM 0 H ILE X 90 82.507 6.001 -12.155 1.00 1.00 H new ATOM 0 HA ILE X 90 79.609 5.841 -12.158 1.00 1.00 H new ATOM 0 HB ILE X 90 79.869 6.501 -9.799 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.735 7.101 -10.669 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.573 8.243 -10.023 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.393 4.678 -9.089 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.360 4.157 -10.442 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.060 4.594 -10.737 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.164 7.521 -8.260 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.513 6.985 -7.868 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.694 5.825 -8.523 1.00 1.00 H new ATOM 1516 N ASP X 91 81.065 8.786 -12.290 1.00 1.00 N ATOM 1517 CA ASP X 91 80.775 10.226 -12.539 1.00 1.00 C ATOM 1518 C ASP X 91 80.014 10.374 -13.858 1.00 1.00 C ATOM 1519 O ASP X 91 79.099 11.166 -13.974 1.00 1.00 O ATOM 1520 CB ASP X 91 82.090 11.005 -12.618 1.00 1.00 C ATOM 1521 CG ASP X 91 82.552 11.375 -11.208 1.00 1.00 C ATOM 1522 OD1 ASP X 91 81.875 10.998 -10.266 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.575 12.029 -11.093 1.00 1.00 O ATOM 0 H ASP X 91 82.055 8.541 -12.264 1.00 1.00 H new ATOM 0 HA ASP X 91 80.168 10.620 -11.724 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.851 10.404 -13.115 1.00 1.00 H new ATOM 0 HB3 ASP X 91 81.955 11.906 -13.216 1.00 1.00 H new ATOM 1528 N LYS X 92 80.383 9.616 -14.855 1.00 1.00 N ATOM 1529 CA LYS X 92 79.676 9.708 -16.163 1.00 1.00 C ATOM 1530 C LYS X 92 78.216 9.281 -15.988 1.00 1.00 C ATOM 1531 O LYS X 92 77.315 9.880 -16.541 1.00 1.00 O ATOM 1532 CB LYS X 92 80.358 8.787 -17.177 1.00 1.00 C ATOM 1533 CG LYS X 92 81.733 9.354 -17.539 1.00 1.00 C ATOM 1534 CD LYS X 92 81.583 10.371 -18.671 1.00 1.00 C ATOM 1535 CE LYS X 92 82.954 10.954 -19.018 1.00 1.00 C ATOM 1536 NZ LYS X 92 82.805 11.960 -20.108 1.00 1.00 N ATOM 0 H LYS X 92 81.144 8.937 -14.820 1.00 1.00 H new ATOM 0 HA LYS X 92 79.712 10.736 -16.523 1.00 1.00 H new ATOM 0 HB2 LYS X 92 80.464 7.785 -16.760 1.00 1.00 H new ATOM 0 HB3 LYS X 92 79.743 8.696 -18.072 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.184 9.828 -16.667 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.401 8.549 -17.845 1.00 1.00 H new ATOM 0 HD2 LYS X 92 81.147 9.893 -19.548 1.00 1.00 H new ATOM 0 HD3 LYS X 92 80.903 11.168 -18.371 1.00 1.00 H new ATOM 0 HE2 LYS X 92 83.397 11.419 -18.137 1.00 1.00 H new ATOM 0 HE3 LYS X 92 83.630 10.159 -19.332 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 83.737 12.357 -20.344 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 82.400 11.503 -20.950 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 82.174 12.724 -19.792 1.00 1.00 H new ATOM 1550 N LYS X 93 77.977 8.251 -15.223 1.00 1.00 N ATOM 1551 CA LYS X 93 76.577 7.787 -15.013 1.00 1.00 C ATOM 1552 C LYS X 93 75.968 8.526 -13.819 1.00 1.00 C ATOM 1553 O LYS X 93 76.430 8.406 -12.702 1.00 1.00 O ATOM 1554 CB LYS X 93 76.572 6.281 -14.740 1.00 1.00 C ATOM 1555 CG LYS X 93 75.130 5.794 -14.586 1.00 1.00 C ATOM 1556 CD LYS X 93 75.122 4.275 -14.409 1.00 1.00 C ATOM 1557 CE LYS X 93 73.678 3.781 -14.304 1.00 1.00 C ATOM 1558 NZ LYS X 93 73.023 4.410 -13.121 1.00 1.00 N ATOM 0 H LYS X 93 78.691 7.711 -14.734 1.00 1.00 H new ATOM 0 HA LYS X 93 75.988 7.994 -15.907 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.060 5.751 -15.558 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.139 6.063 -13.835 1.00 1.00 H new ATOM 0 HG2 LYS X 93 74.663 6.274 -13.726 1.00 1.00 H new ATOM 0 HG3 LYS X 93 74.545 6.072 -15.463 1.00 1.00 H new ATOM 0 HD2 LYS X 93 75.621 3.797 -15.252 1.00 1.00 H new ATOM 0 HD3 LYS X 93 75.678 4.000 -13.513 1.00 1.00 H new ATOM 0 HE2 LYS X 93 73.130 4.031 -15.212 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.660 2.695 -14.209 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 72.193 3.848 -12.844 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 73.696 4.445 -12.329 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 72.723 5.376 -13.363 1.00 1.00 H new ATOM 1572 N GLU X 94 74.933 9.286 -14.046 1.00 1.00 N ATOM 1573 CA GLU X 94 74.297 10.034 -12.924 1.00 1.00 C ATOM 1574 C GLU X 94 73.634 9.047 -11.961 1.00 1.00 C ATOM 1575 O GLU X 94 73.003 8.093 -12.371 1.00 1.00 O ATOM 1576 CB GLU X 94 73.239 10.988 -13.483 1.00 1.00 C ATOM 1577 CG GLU X 94 72.160 10.185 -14.212 1.00 1.00 C ATOM 1578 CD GLU X 94 71.206 11.143 -14.928 1.00 1.00 C ATOM 1579 OE1 GLU X 94 71.684 12.120 -15.482 1.00 1.00 O ATOM 1580 OE2 GLU X 94 70.013 10.883 -14.911 1.00 1.00 O ATOM 0 H GLU X 94 74.500 9.422 -14.959 1.00 1.00 H new ATOM 0 HA GLU X 94 75.058 10.605 -12.392 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.792 11.566 -12.674 1.00 1.00 H new ATOM 0 HB3 GLU X 94 73.701 11.700 -14.167 1.00 1.00 H new ATOM 0 HG2 GLU X 94 72.620 9.508 -14.932 1.00 1.00 H new ATOM 0 HG3 GLU X 94 71.608 9.569 -13.502 1.00 1.00 H new ATOM 1587 N VAL X 95 73.771 9.267 -10.682 1.00 1.00 N ATOM 1588 CA VAL X 95 73.148 8.342 -9.694 1.00 1.00 C ATOM 1589 C VAL X 95 72.495 9.154 -8.572 1.00 1.00 C ATOM 1590 O VAL X 95 72.783 10.320 -8.389 1.00 1.00 O ATOM 1591 CB VAL X 95 74.224 7.431 -9.102 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.296 8.282 -8.420 1.00 1.00 C ATOM 1593 CG2 VAL X 95 73.587 6.495 -8.073 1.00 1.00 C ATOM 0 H VAL X 95 74.288 10.048 -10.278 1.00 1.00 H new ATOM 0 HA VAL X 95 72.390 7.737 -10.192 1.00 1.00 H new ATOM 0 HB VAL X 95 74.680 6.843 -9.898 1.00 1.00 H new ATOM 0 HG11 VAL X 95 76.063 7.632 -7.998 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.750 8.951 -9.152 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.841 8.871 -7.623 1.00 1.00 H new ATOM 0 HG21 VAL X 95 74.352 5.845 -7.650 1.00 1.00 H new ATOM 0 HG22 VAL X 95 73.132 7.085 -7.278 1.00 1.00 H new ATOM 0 HG23 VAL X 95 72.822 5.888 -8.558 1.00 1.00 H new ATOM 1603 N ASN X 96 71.617 8.548 -7.821 1.00 1.00 N ATOM 1604 CA ASN X 96 70.945 9.285 -6.714 1.00 1.00 C ATOM 1605 C ASN X 96 71.140 8.526 -5.399 1.00 1.00 C ATOM 1606 O ASN X 96 70.279 7.785 -4.969 1.00 1.00 O ATOM 1607 CB ASN X 96 69.450 9.408 -7.016 1.00 1.00 C ATOM 1608 CG ASN X 96 68.772 10.228 -5.917 1.00 1.00 C ATOM 1609 OD1 ASN X 96 69.281 11.251 -5.504 1.00 1.00 O ATOM 1610 ND2 ASN X 96 67.637 9.819 -5.421 1.00 1.00 N ATOM 0 H ASN X 96 71.336 7.573 -7.926 1.00 1.00 H new ATOM 0 HA ASN X 96 71.381 10.280 -6.625 1.00 1.00 H new ATOM 0 HB2 ASN X 96 69.302 9.886 -7.984 1.00 1.00 H new ATOM 0 HB3 ASN X 96 68.998 8.418 -7.077 1.00 1.00 H new ATOM 0 HD21 ASN X 96 67.177 10.358 -4.687 1.00 1.00 H new ATOM 0 HD22 ASN X 96 67.209 8.960 -5.767 1.00 1.00 H new ATOM 1617 N PRO X 97 72.269 8.712 -4.772 1.00 1.00 N ATOM 1618 CA PRO X 97 72.600 8.038 -3.485 1.00 1.00 C ATOM 1619 C PRO X 97 71.593 8.370 -2.379 1.00 1.00 C ATOM 1620 O PRO X 97 70.421 8.567 -2.632 1.00 1.00 O ATOM 1621 CB PRO X 97 73.981 8.590 -3.134 1.00 1.00 C ATOM 1622 CG PRO X 97 74.538 9.110 -4.419 1.00 1.00 C ATOM 1623 CD PRO X 97 73.357 9.593 -5.225 1.00 1.00 C ATOM 0 HA PRO X 97 72.574 6.952 -3.578 1.00 1.00 H new ATOM 0 HB2 PRO X 97 73.910 9.381 -2.388 1.00 1.00 H new ATOM 0 HB3 PRO X 97 74.620 7.813 -2.715 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.243 9.921 -4.238 1.00 1.00 H new ATOM 0 HG3 PRO X 97 75.080 8.329 -4.952 1.00 1.00 H new ATOM 0 HD2 PRO X 97 73.136 10.642 -5.029 1.00 1.00 H new ATOM 0 HD3 PRO X 97 73.533 9.499 -6.297 1.00 1.00 H new ATOM 1631 N GLN X 98 72.042 8.434 -1.155 1.00 1.00 N ATOM 1632 CA GLN X 98 71.113 8.768 -0.038 1.00 1.00 C ATOM 1633 C GLN X 98 70.614 10.205 -0.204 1.00 1.00 C ATOM 1634 O GLN X 98 69.431 10.473 -0.141 1.00 1.00 O ATOM 1635 CB GLN X 98 71.850 8.631 1.296 1.00 1.00 C ATOM 1636 CG GLN X 98 72.174 7.158 1.554 1.00 1.00 C ATOM 1637 CD GLN X 98 72.921 7.024 2.883 1.00 1.00 C ATOM 1638 OE1 GLN X 98 73.180 8.005 3.551 1.00 1.00 O ATOM 1639 NE2 GLN X 98 73.279 5.840 3.299 1.00 1.00 N ATOM 0 H GLN X 98 73.011 8.270 -0.880 1.00 1.00 H new ATOM 0 HA GLN X 98 70.263 8.085 -0.053 1.00 1.00 H new ATOM 0 HB2 GLN X 98 72.768 9.218 1.278 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.235 9.026 2.105 1.00 1.00 H new ATOM 0 HG2 GLN X 98 71.255 6.572 1.580 1.00 1.00 H new ATOM 0 HG3 GLN X 98 72.782 6.761 0.741 1.00 1.00 H new ATOM 0 HE21 GLN X 98 73.062 5.016 2.739 1.00 1.00 H new ATOM 0 HE22 GLN X 98 73.776 5.739 4.184 1.00 1.00 H new ATOM 1648 N VAL X 99 71.509 11.132 -0.414 1.00 1.00 N ATOM 1649 CA VAL X 99 71.088 12.551 -0.579 1.00 1.00 C ATOM 1650 C VAL X 99 71.610 13.087 -1.913 1.00 1.00 C ATOM 1651 O VAL X 99 72.774 12.952 -2.235 1.00 1.00 O ATOM 1652 CB VAL X 99 71.659 13.390 0.566 1.00 1.00 C ATOM 1653 CG1 VAL X 99 71.421 14.874 0.281 1.00 1.00 C ATOM 1654 CG2 VAL X 99 70.964 13.005 1.875 1.00 1.00 C ATOM 0 H VAL X 99 72.514 10.967 -0.478 1.00 1.00 H new ATOM 0 HA VAL X 99 70.000 12.610 -0.565 1.00 1.00 H new ATOM 0 HB VAL X 99 72.730 13.204 0.653 1.00 1.00 H new ATOM 0 HG11 VAL X 99 71.828 15.471 1.097 1.00 1.00 H new ATOM 0 HG12 VAL X 99 71.914 15.149 -0.651 1.00 1.00 H new ATOM 0 HG13 VAL X 99 70.351 15.061 0.194 1.00 1.00 H new ATOM 0 HG21 VAL X 99 71.370 13.602 2.692 1.00 1.00 H new ATOM 0 HG22 VAL X 99 69.894 13.191 1.787 1.00 1.00 H new ATOM 0 HG23 VAL X 99 71.133 11.948 2.080 1.00 1.00 H new ATOM 1664 N MET X 100 70.759 13.696 -2.693 1.00 1.00 N ATOM 1665 CA MET X 100 71.211 14.244 -4.003 1.00 1.00 C ATOM 1666 C MET X 100 72.038 13.190 -4.740 1.00 1.00 C ATOM 1667 O MET X 100 71.444 12.271 -5.280 1.00 1.00 O ATOM 1668 CB MET X 100 72.067 15.489 -3.764 1.00 1.00 C ATOM 1669 CG MET X 100 71.190 16.616 -3.217 1.00 1.00 C ATOM 1670 SD MET X 100 72.183 18.118 -3.036 1.00 1.00 S ATOM 1671 CE MET X 100 72.888 17.731 -1.415 1.00 1.00 C ATOM 1672 OXT MET X 100 73.251 13.318 -4.753 1.00 1.00 O ATOM 0 H MET X 100 69.772 13.838 -2.480 1.00 1.00 H new ATOM 0 HA MET X 100 70.342 14.509 -4.606 1.00 1.00 H new ATOM 0 HB2 MET X 100 72.868 15.263 -3.060 1.00 1.00 H new ATOM 0 HB3 MET X 100 72.540 15.802 -4.695 1.00 1.00 H new ATOM 0 HG2 MET X 100 70.353 16.799 -3.890 1.00 1.00 H new ATOM 0 HG3 MET X 100 70.768 16.328 -2.254 1.00 1.00 H new ATOM 0 HE1 MET X 100 73.447 18.591 -1.046 1.00 1.00 H new ATOM 0 HE2 MET X 100 72.086 17.493 -0.717 1.00 1.00 H new ATOM 0 HE3 MET X 100 73.557 16.875 -1.504 1.00 1.00 H new TER 1682 MET X 100