USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HD1:sc= -0.387 X(o=0.8,f=1.1) USER MOD Set 1.2: A 86 THR OG1 : rot -33:sc= 1.19 USER MOD Set 2.1: A 29 SER OG : rot 117:sc= 1 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0.877 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.679 K(o=1.4,f=-2.1) USER MOD Set 3.2: A 36 CYS SG : rot 132:sc= 0.768 USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 52:sc= 0.059 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.62! C(o=-1.6!,f=-8.2!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 34:sc= 0.955 USER MOD Single : A 66 THR OG1 : rot -150:sc= -3! USER MOD Single : A 68 HIS : no HD1:sc= -0.588 X(o=-0.59,f=-0.1) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.03) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 94:sc= 1.25 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0251 F(o=-2.1!,f=-0.025) USER MOD Single : A 83 HIS : no HE2:sc= 0.945 K(o=0.95,f=-4.6!) USER MOD Single : A 84 MET CE :methyl -168:sc= -2.18 (180deg=-3.13!) USER MOD Single : A 87 MET CE :methyl 162:sc= -0.0899 (180deg=-0.481) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 17.208 2.846 8.043 1.00 0.00 N ATOM 2 CA GLU A 7 17.496 2.895 6.618 1.00 0.00 C ATOM 3 C GLU A 7 17.091 1.551 6.007 1.00 0.00 C ATOM 4 O GLU A 7 16.767 0.611 6.736 1.00 0.00 O ATOM 5 CB GLU A 7 19.002 3.139 6.417 1.00 0.00 C ATOM 6 CG GLU A 7 19.420 3.432 4.992 1.00 0.00 C ATOM 7 CD GLU A 7 20.901 3.486 4.837 1.00 0.00 C ATOM 8 OE1 GLU A 7 21.504 4.515 5.168 1.00 0.00 O ATOM 9 OE2 GLU A 7 21.496 2.481 4.375 1.00 0.00 O ATOM 0 HA GLU A 7 16.943 3.701 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.306 3.974 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.546 2.261 6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.016 2.665 4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.989 4.382 4.677 1.00 0.00 H new ATOM 16 N THR A 8 17.066 1.467 4.698 1.00 0.00 N ATOM 17 CA THR A 8 16.770 0.239 4.011 1.00 0.00 C ATOM 18 C THR A 8 17.940 -0.761 4.127 1.00 0.00 C ATOM 19 O THR A 8 18.906 -0.697 3.374 1.00 0.00 O ATOM 20 CB THR A 8 16.432 0.539 2.536 1.00 0.00 C ATOM 21 OG1 THR A 8 17.365 1.521 2.014 1.00 0.00 O ATOM 22 CG2 THR A 8 15.015 1.084 2.408 1.00 0.00 C ATOM 0 H THR A 8 17.252 2.256 4.079 1.00 0.00 H new ATOM 0 HA THR A 8 15.903 -0.227 4.480 1.00 0.00 H new ATOM 0 HB THR A 8 16.507 -0.389 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 8 18.283 1.228 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.797 1.289 1.360 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.306 0.348 2.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.926 2.005 2.984 1.00 0.00 H new ATOM 30 N MET A 9 17.880 -1.620 5.121 1.00 0.00 N ATOM 31 CA MET A 9 18.918 -2.619 5.333 1.00 0.00 C ATOM 32 C MET A 9 18.693 -3.800 4.406 1.00 0.00 C ATOM 33 O MET A 9 19.543 -4.135 3.567 1.00 0.00 O ATOM 34 CB MET A 9 18.924 -3.099 6.795 1.00 0.00 C ATOM 35 CG MET A 9 19.986 -4.148 7.103 1.00 0.00 C ATOM 36 SD MET A 9 19.887 -4.767 8.793 1.00 0.00 S ATOM 37 CE MET A 9 21.268 -5.913 8.819 1.00 0.00 C ATOM 0 H MET A 9 17.121 -1.651 5.802 1.00 0.00 H new ATOM 0 HA MET A 9 19.884 -2.164 5.114 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.078 -2.239 7.447 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.943 -3.510 7.035 1.00 0.00 H new ATOM 0 HG2 MET A 9 19.879 -4.981 6.409 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.974 -3.719 6.935 1.00 0.00 H new ATOM 0 HE1 MET A 9 21.337 -6.377 9.803 1.00 0.00 H new ATOM 0 HE2 MET A 9 21.115 -6.684 8.064 1.00 0.00 H new ATOM 0 HE3 MET A 9 22.192 -5.375 8.606 1.00 0.00 H new ATOM 47 N GLY A 10 17.539 -4.385 4.524 1.00 0.00 N ATOM 48 CA GLY A 10 17.208 -5.539 3.756 1.00 0.00 C ATOM 49 C GLY A 10 15.788 -5.477 3.273 1.00 0.00 C ATOM 50 O GLY A 10 15.196 -4.389 3.182 1.00 0.00 O ATOM 0 H GLY A 10 16.803 -4.073 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.882 -5.618 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.351 -6.435 4.360 1.00 0.00 H new ATOM 54 N ASN A 11 15.231 -6.611 3.020 1.00 0.00 N ATOM 55 CA ASN A 11 13.902 -6.735 2.477 1.00 0.00 C ATOM 56 C ASN A 11 12.886 -6.616 3.567 1.00 0.00 C ATOM 57 O ASN A 11 12.593 -7.569 4.288 1.00 0.00 O ATOM 58 CB ASN A 11 13.722 -8.052 1.706 1.00 0.00 C ATOM 59 CG ASN A 11 14.569 -8.130 0.448 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.846 -7.114 -0.206 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.982 -9.315 0.091 1.00 0.00 N ATOM 0 H ASN A 11 15.690 -7.507 3.186 1.00 0.00 H new ATOM 0 HA ASN A 11 13.754 -5.922 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.977 -8.886 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.672 -8.167 1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.551 -9.425 -0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.736 -10.131 0.652 1.00 0.00 H new ATOM 68 N VAL A 12 12.388 -5.431 3.712 1.00 0.00 N ATOM 69 CA VAL A 12 11.429 -5.101 4.699 1.00 0.00 C ATOM 70 C VAL A 12 10.357 -4.277 4.048 1.00 0.00 C ATOM 71 O VAL A 12 10.640 -3.353 3.267 1.00 0.00 O ATOM 72 CB VAL A 12 12.056 -4.318 5.900 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.982 -3.725 6.791 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.926 -5.223 6.750 1.00 0.00 C ATOM 0 H VAL A 12 12.652 -4.642 3.122 1.00 0.00 H new ATOM 0 HA VAL A 12 11.018 -6.023 5.110 1.00 0.00 H new ATOM 0 HB VAL A 12 12.661 -3.520 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.450 -3.187 7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.367 -3.036 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.356 -4.524 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.348 -4.651 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.323 -6.041 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.733 -5.629 6.140 1.00 0.00 H new ATOM 84 N THR A 13 9.182 -4.636 4.330 1.00 0.00 N ATOM 85 CA THR A 13 8.025 -4.017 3.860 1.00 0.00 C ATOM 86 C THR A 13 7.228 -3.601 5.062 1.00 0.00 C ATOM 87 O THR A 13 6.831 -4.429 5.892 1.00 0.00 O ATOM 88 CB THR A 13 7.252 -5.014 2.996 1.00 0.00 C ATOM 89 OG1 THR A 13 7.975 -5.270 1.779 1.00 0.00 O ATOM 90 CG2 THR A 13 5.848 -4.547 2.695 1.00 0.00 C ATOM 0 H THR A 13 8.987 -5.429 4.941 1.00 0.00 H new ATOM 0 HA THR A 13 8.245 -3.142 3.248 1.00 0.00 H new ATOM 0 HB THR A 13 7.159 -5.940 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.476 -5.911 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.342 -5.290 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.300 -4.415 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.887 -3.598 2.160 1.00 0.00 H new ATOM 98 N THR A 14 7.039 -2.356 5.181 1.00 0.00 N ATOM 99 CA THR A 14 6.395 -1.813 6.297 1.00 0.00 C ATOM 100 C THR A 14 4.880 -1.844 6.100 1.00 0.00 C ATOM 101 O THR A 14 4.362 -1.678 4.980 1.00 0.00 O ATOM 102 CB THR A 14 6.881 -0.386 6.519 1.00 0.00 C ATOM 103 OG1 THR A 14 8.334 -0.361 6.507 1.00 0.00 O ATOM 104 CG2 THR A 14 6.377 0.156 7.847 1.00 0.00 C ATOM 0 H THR A 14 7.334 -1.667 4.489 1.00 0.00 H new ATOM 0 HA THR A 14 6.634 -2.408 7.178 1.00 0.00 H new ATOM 0 HB THR A 14 6.492 0.241 5.717 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.647 0.557 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.737 1.176 7.984 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.287 0.152 7.852 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.746 -0.471 8.659 1.00 0.00 H new ATOM 112 N VAL A 15 4.199 -2.112 7.155 1.00 0.00 N ATOM 113 CA VAL A 15 2.790 -2.128 7.178 1.00 0.00 C ATOM 114 C VAL A 15 2.310 -1.155 8.186 1.00 0.00 C ATOM 115 O VAL A 15 2.832 -1.101 9.308 1.00 0.00 O ATOM 116 CB VAL A 15 2.246 -3.517 7.525 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.748 -3.476 7.746 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.565 -4.482 6.421 1.00 0.00 C ATOM 0 H VAL A 15 4.626 -2.333 8.054 1.00 0.00 H new ATOM 0 HA VAL A 15 2.432 -1.862 6.183 1.00 0.00 H new ATOM 0 HB VAL A 15 2.722 -3.846 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.389 -4.476 7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.520 -2.797 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.256 -3.126 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.175 -5.468 6.675 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.107 -4.138 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.646 -4.542 6.291 1.00 0.00 H new ATOM 128 N LEU A 16 1.386 -0.365 7.797 1.00 0.00 N ATOM 129 CA LEU A 16 0.770 0.497 8.702 1.00 0.00 C ATOM 130 C LEU A 16 -0.704 0.244 8.727 1.00 0.00 C ATOM 131 O LEU A 16 -1.401 0.365 7.714 1.00 0.00 O ATOM 132 CB LEU A 16 1.017 1.944 8.405 1.00 0.00 C ATOM 133 CG LEU A 16 0.467 2.875 9.469 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.388 2.969 10.668 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.166 4.204 8.906 1.00 0.00 C ATOM 0 H LEU A 16 1.041 -0.304 6.839 1.00 0.00 H new ATOM 0 HA LEU A 16 1.213 0.288 9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.090 2.110 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.566 2.193 7.445 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.470 2.447 9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.957 3.646 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.511 1.980 11.110 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.360 3.349 10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.227 4.851 9.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.077 4.641 8.498 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.575 4.104 8.113 1.00 0.00 H new ATOM 147 N ILE A 17 -1.152 -0.108 9.858 1.00 0.00 N ATOM 148 CA ILE A 17 -2.522 -0.321 10.128 1.00 0.00 C ATOM 149 C ILE A 17 -3.070 0.894 10.814 1.00 0.00 C ATOM 150 O ILE A 17 -2.386 1.495 11.638 1.00 0.00 O ATOM 151 CB ILE A 17 -2.687 -1.600 11.022 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.930 -2.804 10.155 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.806 -1.473 12.062 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.216 -2.679 9.426 1.00 0.00 C ATOM 0 H ILE A 17 -0.551 -0.266 10.667 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.075 -0.483 9.202 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.756 -1.715 11.576 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.113 -2.915 9.443 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.942 -3.704 10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.866 -2.391 12.646 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.593 -0.635 12.725 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.756 -1.302 11.555 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.370 -3.562 8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.033 -2.592 10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.191 -1.791 8.794 1.00 0.00 H new ATOM 166 N ARG A 18 -4.226 1.331 10.387 1.00 0.00 N ATOM 167 CA ARG A 18 -4.945 2.321 11.122 1.00 0.00 C ATOM 168 C ARG A 18 -6.217 1.693 11.610 1.00 0.00 C ATOM 169 O ARG A 18 -7.181 1.489 10.867 1.00 0.00 O ATOM 170 CB ARG A 18 -5.217 3.577 10.294 1.00 0.00 C ATOM 171 CG ARG A 18 -3.972 4.407 9.996 1.00 0.00 C ATOM 172 CD ARG A 18 -3.406 5.076 11.222 1.00 0.00 C ATOM 173 NE ARG A 18 -4.340 6.018 11.851 1.00 0.00 N ATOM 174 CZ ARG A 18 -4.068 7.308 12.115 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.976 7.893 11.611 1.00 0.00 N ATOM 176 NH2 ARG A 18 -4.912 8.016 12.839 1.00 0.00 N ATOM 0 H ARG A 18 -4.684 1.013 9.533 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.342 2.656 11.966 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.680 3.285 9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.938 4.200 10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.210 3.764 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.217 5.167 9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.126 4.313 11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.494 5.606 10.950 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.263 5.668 12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.339 7.360 11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.780 8.872 11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.765 7.585 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.712 8.995 13.043 1.00 0.00 H new ATOM 190 N ARG A 19 -6.178 1.345 12.845 1.00 0.00 N ATOM 191 CA ARG A 19 -7.265 0.707 13.522 1.00 0.00 C ATOM 192 C ARG A 19 -8.064 1.716 14.343 1.00 0.00 C ATOM 193 O ARG A 19 -7.540 2.289 15.271 1.00 0.00 O ATOM 194 CB ARG A 19 -6.674 -0.358 14.418 1.00 0.00 C ATOM 195 CG ARG A 19 -7.651 -1.044 15.318 1.00 0.00 C ATOM 196 CD ARG A 19 -6.960 -2.129 16.091 1.00 0.00 C ATOM 197 NE ARG A 19 -7.888 -2.935 16.856 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.531 -3.994 17.567 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.289 -4.110 17.965 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.438 -4.887 17.947 1.00 0.00 N ATOM 0 H ARG A 19 -5.363 1.499 13.439 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.953 0.265 12.801 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.190 -1.109 13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.896 0.096 15.031 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.095 -0.323 16.004 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.465 -1.467 14.730 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.409 -2.769 15.402 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.229 -1.683 16.765 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.874 -2.672 16.847 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.608 -3.389 17.727 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.003 -4.921 18.513 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.417 -4.760 17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.155 -5.700 18.494 1.00 0.00 H new ATOM 214 N PRO A 20 -9.333 1.954 13.999 1.00 0.00 N ATOM 215 CA PRO A 20 -10.193 2.904 14.733 1.00 0.00 C ATOM 216 C PRO A 20 -10.422 2.531 16.216 1.00 0.00 C ATOM 217 O PRO A 20 -10.452 3.413 17.087 1.00 0.00 O ATOM 218 CB PRO A 20 -11.515 2.863 13.964 1.00 0.00 C ATOM 219 CG PRO A 20 -11.145 2.367 12.608 1.00 0.00 C ATOM 220 CD PRO A 20 -10.032 1.389 12.830 1.00 0.00 C ATOM 0 HA PRO A 20 -9.728 3.889 14.777 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.234 2.200 14.446 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.975 3.850 13.913 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.995 1.890 12.119 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.825 3.186 11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.408 0.386 13.029 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.377 1.317 11.962 1.00 0.00 H new ATOM 228 N ASP A 21 -10.568 1.239 16.510 1.00 0.00 N ATOM 229 CA ASP A 21 -10.830 0.797 17.882 1.00 0.00 C ATOM 230 C ASP A 21 -10.599 -0.703 17.960 1.00 0.00 C ATOM 231 O ASP A 21 -10.302 -1.340 16.945 1.00 0.00 O ATOM 232 CB ASP A 21 -12.285 1.100 18.277 1.00 0.00 C ATOM 233 CG ASP A 21 -12.510 1.187 19.771 1.00 0.00 C ATOM 234 OD1 ASP A 21 -12.588 0.148 20.430 1.00 0.00 O ATOM 235 OD2 ASP A 21 -12.623 2.310 20.302 1.00 0.00 O ATOM 0 H ASP A 21 -10.510 0.486 15.825 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.163 1.326 18.563 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.587 2.042 17.819 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.932 0.324 17.867 1.00 0.00 H new ATOM 240 N LEU A 22 -10.818 -1.269 19.117 1.00 0.00 N ATOM 241 CA LEU A 22 -10.586 -2.671 19.388 1.00 0.00 C ATOM 242 C LEU A 22 -11.671 -3.523 18.808 1.00 0.00 C ATOM 243 O LEU A 22 -11.511 -4.733 18.657 1.00 0.00 O ATOM 244 CB LEU A 22 -10.478 -2.888 20.874 1.00 0.00 C ATOM 245 CG LEU A 22 -9.370 -2.089 21.523 1.00 0.00 C ATOM 246 CD1 LEU A 22 -9.307 -2.395 22.987 1.00 0.00 C ATOM 247 CD2 LEU A 22 -8.039 -2.386 20.847 1.00 0.00 C ATOM 0 H LEU A 22 -11.173 -0.756 19.924 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.650 -2.965 18.914 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.427 -2.624 21.341 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.312 -3.948 21.067 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.581 -1.026 21.403 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.506 -1.815 23.446 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.257 -2.135 23.454 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.112 -3.458 23.128 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.251 -1.804 21.324 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.813 -3.448 20.940 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.099 -2.119 19.792 1.00 0.00 H new ATOM 259 N ARG A 23 -12.769 -2.875 18.450 1.00 0.00 N ATOM 260 CA ARG A 23 -13.888 -3.538 17.792 1.00 0.00 C ATOM 261 C ARG A 23 -13.498 -3.937 16.383 1.00 0.00 C ATOM 262 O ARG A 23 -14.154 -4.746 15.752 1.00 0.00 O ATOM 263 CB ARG A 23 -15.162 -2.665 17.760 1.00 0.00 C ATOM 264 CG ARG A 23 -15.888 -2.515 19.097 1.00 0.00 C ATOM 265 CD ARG A 23 -15.111 -1.692 20.104 1.00 0.00 C ATOM 266 NE ARG A 23 -15.763 -1.661 21.412 1.00 0.00 N ATOM 267 CZ ARG A 23 -15.180 -1.251 22.543 1.00 0.00 C ATOM 268 NH1 ARG A 23 -13.990 -0.668 22.518 1.00 0.00 N ATOM 269 NH2 ARG A 23 -15.806 -1.389 23.698 1.00 0.00 N ATOM 0 H ARG A 23 -12.911 -1.877 18.606 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.123 -4.426 18.378 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.893 -1.672 17.399 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.856 -3.091 17.035 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.859 -2.049 18.927 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.078 -3.504 19.514 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.107 -2.103 20.210 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.000 -0.674 19.731 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.732 -1.975 21.466 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.509 -0.528 21.629 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.555 -0.359 23.387 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.735 -1.809 23.728 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.360 -1.076 24.560 1.00 0.00 H new ATOM 283 N TYR A 24 -12.430 -3.362 15.900 1.00 0.00 N ATOM 284 CA TYR A 24 -11.908 -3.712 14.613 1.00 0.00 C ATOM 285 C TYR A 24 -10.805 -4.675 14.837 1.00 0.00 C ATOM 286 O TYR A 24 -9.882 -4.359 15.554 1.00 0.00 O ATOM 287 CB TYR A 24 -11.370 -2.486 13.873 1.00 0.00 C ATOM 288 CG TYR A 24 -12.429 -1.564 13.335 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.085 -0.656 14.154 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.764 -1.596 11.989 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.041 0.191 13.642 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.717 -0.756 11.474 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.353 0.133 12.301 1.00 0.00 C ATOM 294 OH TYR A 24 -15.300 0.980 11.779 1.00 0.00 O ATOM 0 H TYR A 24 -11.901 -2.640 16.388 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.701 -4.141 14.000 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.727 -1.923 14.549 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.746 -2.823 13.045 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.842 -0.614 15.206 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.265 -2.296 11.335 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.544 0.897 14.287 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.965 -0.794 10.424 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.399 0.809 10.819 1.00 0.00 H new ATOM 304 N GLN A 25 -10.900 -5.840 14.287 1.00 0.00 N ATOM 305 CA GLN A 25 -9.848 -6.803 14.469 1.00 0.00 C ATOM 306 C GLN A 25 -8.915 -6.792 13.298 1.00 0.00 C ATOM 307 O GLN A 25 -9.306 -6.386 12.204 1.00 0.00 O ATOM 308 CB GLN A 25 -10.363 -8.197 14.749 1.00 0.00 C ATOM 309 CG GLN A 25 -11.064 -8.333 16.081 1.00 0.00 C ATOM 310 CD GLN A 25 -11.424 -9.763 16.373 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.508 -10.233 16.014 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.539 -10.470 17.034 1.00 0.00 N ATOM 0 H GLN A 25 -11.683 -6.153 13.713 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.295 -6.502 15.359 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.052 -8.486 13.955 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.528 -8.896 14.716 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.420 -7.950 16.873 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.967 -7.722 16.082 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.654 -10.047 17.314 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.736 -11.443 17.268 1.00 0.00 H new ATOM 321 N LEU A 26 -7.700 -7.254 13.546 1.00 0.00 N ATOM 322 CA LEU A 26 -6.589 -7.232 12.596 1.00 0.00 C ATOM 323 C LEU A 26 -6.995 -7.878 11.272 1.00 0.00 C ATOM 324 O LEU A 26 -7.068 -7.211 10.230 1.00 0.00 O ATOM 325 CB LEU A 26 -5.345 -7.975 13.168 1.00 0.00 C ATOM 326 CG LEU A 26 -4.820 -7.611 14.593 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.718 -6.114 14.826 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.600 -8.312 15.713 1.00 0.00 C ATOM 0 H LEU A 26 -7.447 -7.669 14.443 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.330 -6.187 12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.572 -9.041 13.166 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.523 -7.823 12.468 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.802 -7.999 14.631 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.347 -5.927 15.834 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.031 -5.679 14.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.702 -5.660 14.711 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.190 -8.020 16.680 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.650 -8.022 15.662 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.516 -9.392 15.594 1.00 0.00 H new ATOM 340 N GLY A 27 -7.261 -9.154 11.313 1.00 0.00 N ATOM 341 CA GLY A 27 -7.700 -9.834 10.134 1.00 0.00 C ATOM 342 C GLY A 27 -6.611 -10.637 9.493 1.00 0.00 C ATOM 343 O GLY A 27 -6.542 -10.726 8.279 1.00 0.00 O ATOM 0 H GLY A 27 -7.181 -9.738 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.531 -10.492 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.078 -9.104 9.418 1.00 0.00 H new ATOM 347 N PHE A 28 -5.745 -11.201 10.292 1.00 0.00 N ATOM 348 CA PHE A 28 -4.706 -12.060 9.780 1.00 0.00 C ATOM 349 C PHE A 28 -4.263 -13.011 10.870 1.00 0.00 C ATOM 350 O PHE A 28 -4.424 -12.727 12.065 1.00 0.00 O ATOM 351 CB PHE A 28 -3.488 -11.265 9.199 1.00 0.00 C ATOM 352 CG PHE A 28 -2.592 -10.594 10.215 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.943 -9.390 10.791 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.386 -11.180 10.583 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.116 -8.779 11.712 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.558 -10.574 11.502 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.925 -9.370 12.066 1.00 0.00 C ATOM 0 H PHE A 28 -5.737 -11.081 11.305 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.121 -12.623 8.944 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.882 -11.949 8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.868 -10.503 8.519 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.876 -8.920 10.518 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.095 -12.122 10.143 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.404 -7.837 12.155 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.376 -11.040 11.780 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.277 -8.891 12.786 1.00 0.00 H new ATOM 367 N SER A 29 -3.729 -14.114 10.472 1.00 0.00 N ATOM 368 CA SER A 29 -3.250 -15.113 11.394 1.00 0.00 C ATOM 369 C SER A 29 -1.739 -15.095 11.373 1.00 0.00 C ATOM 370 O SER A 29 -1.143 -15.181 10.298 1.00 0.00 O ATOM 371 CB SER A 29 -3.729 -16.489 10.949 1.00 0.00 C ATOM 372 OG SER A 29 -5.132 -16.509 10.736 1.00 0.00 O ATOM 0 H SER A 29 -3.607 -14.360 9.490 1.00 0.00 H new ATOM 0 HA SER A 29 -3.624 -14.903 12.396 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.217 -16.774 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.464 -17.229 11.704 1.00 0.00 H new ATOM 0 HG SER A 29 -5.317 -16.707 9.794 1.00 0.00 H new ATOM 378 N VAL A 30 -1.113 -14.979 12.514 1.00 0.00 N ATOM 379 CA VAL A 30 0.321 -14.974 12.544 1.00 0.00 C ATOM 380 C VAL A 30 0.814 -16.181 13.359 1.00 0.00 C ATOM 381 O VAL A 30 0.236 -16.522 14.396 1.00 0.00 O ATOM 382 CB VAL A 30 0.885 -13.609 13.103 1.00 0.00 C ATOM 383 CG1 VAL A 30 1.245 -13.644 14.578 1.00 0.00 C ATOM 384 CG2 VAL A 30 2.046 -13.114 12.279 1.00 0.00 C ATOM 0 H VAL A 30 -1.568 -14.888 13.422 1.00 0.00 H new ATOM 0 HA VAL A 30 0.701 -15.063 11.526 1.00 0.00 H new ATOM 0 HB VAL A 30 0.061 -12.901 13.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.624 -12.669 14.883 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.358 -13.888 15.163 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.011 -14.401 14.748 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.410 -12.173 12.691 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.847 -13.853 12.299 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.722 -12.958 11.250 1.00 0.00 H new ATOM 394 N GLN A 31 1.819 -16.847 12.864 1.00 0.00 N ATOM 395 CA GLN A 31 2.397 -17.974 13.541 1.00 0.00 C ATOM 396 C GLN A 31 3.879 -17.716 13.792 1.00 0.00 C ATOM 397 O GLN A 31 4.666 -17.611 12.862 1.00 0.00 O ATOM 398 CB GLN A 31 2.146 -19.280 12.758 1.00 0.00 C ATOM 399 CG GLN A 31 2.743 -19.342 11.356 1.00 0.00 C ATOM 400 CD GLN A 31 2.372 -20.618 10.641 1.00 0.00 C ATOM 401 OE1 GLN A 31 1.279 -21.175 10.850 1.00 0.00 O ATOM 402 NE2 GLN A 31 3.266 -21.121 9.836 1.00 0.00 N ATOM 0 H GLN A 31 2.263 -16.622 11.974 1.00 0.00 H new ATOM 0 HA GLN A 31 1.913 -18.102 14.509 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.545 -20.111 13.339 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.070 -19.433 12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.396 -18.487 10.776 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.828 -19.264 11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.151 -20.636 9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.080 -22.000 9.353 1.00 0.00 H new ATOM 411 N ASN A 32 4.228 -17.514 15.064 1.00 0.00 N ATOM 412 CA ASN A 32 5.619 -17.181 15.509 1.00 0.00 C ATOM 413 C ASN A 32 6.130 -15.877 14.895 1.00 0.00 C ATOM 414 O ASN A 32 7.322 -15.555 14.980 1.00 0.00 O ATOM 415 CB ASN A 32 6.628 -18.327 15.233 1.00 0.00 C ATOM 416 CG ASN A 32 6.386 -19.566 16.075 1.00 0.00 C ATOM 417 OD1 ASN A 32 5.877 -19.485 17.202 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.755 -20.710 15.555 1.00 0.00 N ATOM 0 H ASN A 32 3.562 -17.573 15.834 1.00 0.00 H new ATOM 0 HA ASN A 32 5.550 -17.048 16.589 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.577 -18.599 14.179 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.638 -17.963 15.419 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.627 -21.574 16.081 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.171 -20.737 14.624 1.00 0.00 H new ATOM 425 N GLY A 33 5.227 -15.119 14.316 1.00 0.00 N ATOM 426 CA GLY A 33 5.592 -13.885 13.676 1.00 0.00 C ATOM 427 C GLY A 33 5.393 -13.942 12.175 1.00 0.00 C ATOM 428 O GLY A 33 5.513 -12.946 11.497 1.00 0.00 O ATOM 0 H GLY A 33 4.232 -15.340 14.277 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.996 -13.072 14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.635 -13.658 13.895 1.00 0.00 H new ATOM 432 N ILE A 34 5.065 -15.103 11.656 1.00 0.00 N ATOM 433 CA ILE A 34 4.874 -15.252 10.215 1.00 0.00 C ATOM 434 C ILE A 34 3.396 -15.282 9.887 1.00 0.00 C ATOM 435 O ILE A 34 2.641 -16.068 10.452 1.00 0.00 O ATOM 436 CB ILE A 34 5.592 -16.513 9.584 1.00 0.00 C ATOM 437 CG1 ILE A 34 7.133 -16.434 9.680 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.211 -16.646 8.114 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.728 -16.562 11.062 1.00 0.00 C ATOM 0 H ILE A 34 4.924 -15.956 12.197 1.00 0.00 H new ATOM 0 HA ILE A 34 5.351 -14.382 9.764 1.00 0.00 H new ATOM 0 HB ILE A 34 5.259 -17.378 10.157 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.555 -17.219 9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.453 -15.482 9.257 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.709 -17.516 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.131 -16.767 8.028 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.520 -15.750 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.814 -16.491 10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.348 -15.762 11.697 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.452 -17.526 11.489 1.00 0.00 H new ATOM 451 N ILE A 35 2.991 -14.386 9.033 1.00 0.00 N ATOM 452 CA ILE A 35 1.627 -14.272 8.564 1.00 0.00 C ATOM 453 C ILE A 35 1.245 -15.526 7.782 1.00 0.00 C ATOM 454 O ILE A 35 1.783 -15.792 6.701 1.00 0.00 O ATOM 455 CB ILE A 35 1.502 -13.027 7.683 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.919 -11.812 8.516 1.00 0.00 C ATOM 457 CG2 ILE A 35 0.065 -12.869 7.158 1.00 0.00 C ATOM 458 CD1 ILE A 35 2.190 -10.586 7.713 1.00 0.00 C ATOM 0 H ILE A 35 3.616 -13.689 8.627 1.00 0.00 H new ATOM 0 HA ILE A 35 0.949 -14.176 9.412 1.00 0.00 H new ATOM 0 HB ILE A 35 2.151 -13.120 6.812 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.133 -11.593 9.238 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.813 -12.065 9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.001 -11.977 6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.205 -13.745 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.621 -12.773 7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.479 -9.772 8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.998 -10.784 7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.291 -10.304 7.164 1.00 0.00 H new ATOM 470 N CYS A 36 0.342 -16.282 8.351 1.00 0.00 N ATOM 471 CA CYS A 36 -0.065 -17.556 7.830 1.00 0.00 C ATOM 472 C CYS A 36 -1.268 -17.394 6.893 1.00 0.00 C ATOM 473 O CYS A 36 -1.363 -18.078 5.869 1.00 0.00 O ATOM 474 CB CYS A 36 -0.403 -18.489 9.006 1.00 0.00 C ATOM 475 SG CYS A 36 -0.638 -20.229 8.580 1.00 0.00 S ATOM 0 H CYS A 36 -0.141 -16.020 9.210 1.00 0.00 H new ATOM 0 HA CYS A 36 0.747 -17.992 7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.397 -18.419 9.743 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.312 -18.125 9.486 1.00 0.00 H new ATOM 0 HG CYS A 36 0.051 -20.972 9.394 1.00 0.00 H new ATOM 481 N SER A 37 -2.173 -16.489 7.230 1.00 0.00 N ATOM 482 CA SER A 37 -3.327 -16.233 6.395 1.00 0.00 C ATOM 483 C SER A 37 -3.789 -14.803 6.610 1.00 0.00 C ATOM 484 O SER A 37 -3.479 -14.202 7.654 1.00 0.00 O ATOM 485 CB SER A 37 -4.471 -17.222 6.695 1.00 0.00 C ATOM 486 OG SER A 37 -4.999 -17.050 8.010 1.00 0.00 O ATOM 0 H SER A 37 -2.127 -15.922 8.076 1.00 0.00 H new ATOM 0 HA SER A 37 -3.043 -16.374 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.268 -17.086 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.106 -18.243 6.582 1.00 0.00 H new ATOM 0 HG SER A 37 -5.722 -17.694 8.159 1.00 0.00 H new ATOM 492 N LEU A 38 -4.492 -14.269 5.646 1.00 0.00 N ATOM 493 CA LEU A 38 -5.005 -12.928 5.702 1.00 0.00 C ATOM 494 C LEU A 38 -6.485 -12.946 5.370 1.00 0.00 C ATOM 495 O LEU A 38 -6.900 -13.573 4.390 1.00 0.00 O ATOM 496 CB LEU A 38 -4.253 -12.044 4.696 1.00 0.00 C ATOM 497 CG LEU A 38 -4.721 -10.590 4.569 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.564 -9.852 5.873 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.947 -9.889 3.493 1.00 0.00 C ATOM 0 H LEU A 38 -4.727 -14.764 4.786 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.863 -12.522 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.198 -12.039 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.324 -12.511 3.714 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.779 -10.600 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.904 -8.823 5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.159 -10.343 6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.515 -9.855 6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.289 -8.857 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.886 -9.902 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.103 -10.398 2.542 1.00 0.00 H new ATOM 511 N MET A 39 -7.263 -12.279 6.168 1.00 0.00 N ATOM 512 CA MET A 39 -8.678 -12.191 5.949 1.00 0.00 C ATOM 513 C MET A 39 -8.958 -11.026 5.030 1.00 0.00 C ATOM 514 O MET A 39 -8.610 -9.872 5.339 1.00 0.00 O ATOM 515 CB MET A 39 -9.430 -12.004 7.273 1.00 0.00 C ATOM 516 CG MET A 39 -10.943 -11.882 7.118 1.00 0.00 C ATOM 517 SD MET A 39 -11.772 -11.585 8.693 1.00 0.00 S ATOM 518 CE MET A 39 -13.485 -11.524 8.171 1.00 0.00 C ATOM 0 H MET A 39 -6.934 -11.778 6.993 1.00 0.00 H new ATOM 0 HA MET A 39 -9.025 -13.119 5.495 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.209 -12.848 7.926 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.053 -11.110 7.769 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.171 -11.067 6.431 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.335 -12.795 6.670 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.123 -11.346 9.037 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.617 -10.717 7.451 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.758 -12.472 7.708 1.00 0.00 H new ATOM 528 N ARG A 40 -9.559 -11.319 3.910 1.00 0.00 N ATOM 529 CA ARG A 40 -9.908 -10.300 2.956 1.00 0.00 C ATOM 530 C ARG A 40 -11.023 -9.461 3.545 1.00 0.00 C ATOM 531 O ARG A 40 -11.960 -9.995 4.148 1.00 0.00 O ATOM 532 CB ARG A 40 -10.307 -10.937 1.601 1.00 0.00 C ATOM 533 CG ARG A 40 -10.626 -9.944 0.462 1.00 0.00 C ATOM 534 CD ARG A 40 -12.034 -9.358 0.564 1.00 0.00 C ATOM 535 NE ARG A 40 -12.212 -8.181 -0.284 1.00 0.00 N ATOM 536 CZ ARG A 40 -13.194 -8.003 -1.160 1.00 0.00 C ATOM 537 NH1 ARG A 40 -14.024 -9.000 -1.450 1.00 0.00 N ATOM 538 NH2 ARG A 40 -13.328 -6.836 -1.762 1.00 0.00 N ATOM 0 H ARG A 40 -9.820 -12.265 3.633 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.052 -9.656 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.496 -11.588 1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.180 -11.570 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.898 -9.133 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.517 -10.451 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.762 -10.119 0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.238 -9.090 1.600 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.524 -7.433 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.908 -9.907 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.777 -8.858 -2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.679 -6.077 -1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.080 -6.693 -2.436 1.00 0.00 H new ATOM 552 N GLY A 41 -10.907 -8.172 3.398 1.00 0.00 N ATOM 553 CA GLY A 41 -11.897 -7.277 3.927 1.00 0.00 C ATOM 554 C GLY A 41 -11.538 -6.817 5.314 1.00 0.00 C ATOM 555 O GLY A 41 -12.256 -6.009 5.923 1.00 0.00 O ATOM 0 H GLY A 41 -10.134 -7.716 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.996 -6.413 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.866 -7.775 3.947 1.00 0.00 H new ATOM 559 N GLY A 42 -10.434 -7.330 5.819 1.00 0.00 N ATOM 560 CA GLY A 42 -9.976 -6.963 7.130 1.00 0.00 C ATOM 561 C GLY A 42 -9.018 -5.810 7.051 1.00 0.00 C ATOM 562 O GLY A 42 -8.500 -5.509 5.959 1.00 0.00 O ATOM 0 H GLY A 42 -9.841 -8.004 5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.827 -6.694 7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.489 -7.816 7.603 1.00 0.00 H new ATOM 566 N ILE A 43 -8.753 -5.157 8.181 1.00 0.00 N ATOM 567 CA ILE A 43 -7.830 -4.024 8.181 1.00 0.00 C ATOM 568 C ILE A 43 -6.452 -4.406 7.735 1.00 0.00 C ATOM 569 O ILE A 43 -5.817 -3.639 7.038 1.00 0.00 O ATOM 570 CB ILE A 43 -7.730 -3.219 9.507 1.00 0.00 C ATOM 571 CG1 ILE A 43 -7.799 -4.110 10.747 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.690 -2.051 9.552 1.00 0.00 C ATOM 573 CD1 ILE A 43 -7.603 -3.371 12.060 1.00 0.00 C ATOM 0 H ILE A 43 -9.155 -5.386 9.090 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.291 -3.354 7.455 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.733 -2.779 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.767 -4.611 10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.039 -4.887 10.664 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.578 -1.524 10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.472 -1.369 8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.713 -2.417 9.459 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.667 -4.077 12.888 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.624 -2.893 12.066 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.378 -2.612 12.170 1.00 0.00 H new ATOM 585 N ALA A 44 -6.001 -5.601 8.104 1.00 0.00 N ATOM 586 CA ALA A 44 -4.667 -6.065 7.757 1.00 0.00 C ATOM 587 C ALA A 44 -4.442 -6.009 6.249 1.00 0.00 C ATOM 588 O ALA A 44 -3.381 -5.585 5.779 1.00 0.00 O ATOM 589 CB ALA A 44 -4.445 -7.456 8.302 1.00 0.00 C ATOM 0 H ALA A 44 -6.547 -6.269 8.648 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.934 -5.400 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.443 -7.795 8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.548 -7.442 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.183 -8.136 7.876 1.00 0.00 H new ATOM 595 N GLU A 45 -5.456 -6.363 5.498 1.00 0.00 N ATOM 596 CA GLU A 45 -5.384 -6.316 4.058 1.00 0.00 C ATOM 597 C GLU A 45 -5.279 -4.865 3.586 1.00 0.00 C ATOM 598 O GLU A 45 -4.455 -4.537 2.726 1.00 0.00 O ATOM 599 CB GLU A 45 -6.590 -7.006 3.452 1.00 0.00 C ATOM 600 CG GLU A 45 -6.633 -6.939 1.949 1.00 0.00 C ATOM 601 CD GLU A 45 -7.775 -7.703 1.389 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.928 -7.397 1.729 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.534 -8.645 0.602 1.00 0.00 O ATOM 0 H GLU A 45 -6.350 -6.690 5.865 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.491 -6.846 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.593 -8.051 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.497 -6.553 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.705 -5.898 1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.701 -7.331 1.542 1.00 0.00 H new ATOM 610 N ARG A 46 -6.070 -4.000 4.199 1.00 0.00 N ATOM 611 CA ARG A 46 -6.066 -2.569 3.859 1.00 0.00 C ATOM 612 C ARG A 46 -4.693 -1.959 4.193 1.00 0.00 C ATOM 613 O ARG A 46 -4.187 -1.094 3.480 1.00 0.00 O ATOM 614 CB ARG A 46 -7.130 -1.800 4.650 1.00 0.00 C ATOM 615 CG ARG A 46 -8.507 -2.429 4.697 1.00 0.00 C ATOM 616 CD ARG A 46 -9.472 -1.494 5.401 1.00 0.00 C ATOM 617 NE ARG A 46 -10.688 -2.165 5.871 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.904 -2.031 5.347 1.00 0.00 C ATOM 619 NH1 ARG A 46 -12.076 -1.496 4.148 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.942 -2.496 6.011 1.00 0.00 N ATOM 0 H ARG A 46 -6.727 -4.255 4.937 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.282 -2.486 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.774 -1.675 5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.223 -0.802 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.858 -2.635 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.464 -3.384 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.967 -1.034 6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.749 -0.689 4.721 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.594 -2.790 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.269 -1.179 3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.015 -1.401 3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.808 -2.951 6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.880 -2.401 5.622 1.00 0.00 H new ATOM 634 N GLY A 47 -4.110 -2.419 5.293 1.00 0.00 N ATOM 635 CA GLY A 47 -2.809 -1.942 5.740 1.00 0.00 C ATOM 636 C GLY A 47 -1.678 -2.389 4.835 1.00 0.00 C ATOM 637 O GLY A 47 -0.624 -1.754 4.783 1.00 0.00 O ATOM 0 H GLY A 47 -4.524 -3.129 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.823 -0.853 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.623 -2.302 6.752 1.00 0.00 H new ATOM 641 N GLY A 48 -1.890 -3.476 4.127 1.00 0.00 N ATOM 642 CA GLY A 48 -0.887 -3.958 3.214 1.00 0.00 C ATOM 643 C GLY A 48 -0.144 -5.149 3.750 1.00 0.00 C ATOM 644 O GLY A 48 1.040 -5.353 3.431 1.00 0.00 O ATOM 0 H GLY A 48 -2.741 -4.036 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.359 -4.224 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.178 -3.157 3.002 1.00 0.00 H new ATOM 648 N VAL A 49 -0.810 -5.916 4.577 1.00 0.00 N ATOM 649 CA VAL A 49 -0.261 -7.134 5.127 1.00 0.00 C ATOM 650 C VAL A 49 -0.330 -8.230 4.051 1.00 0.00 C ATOM 651 O VAL A 49 -1.273 -8.255 3.251 1.00 0.00 O ATOM 652 CB VAL A 49 -1.071 -7.547 6.399 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.704 -8.915 6.911 1.00 0.00 C ATOM 654 CG2 VAL A 49 -0.875 -6.531 7.510 1.00 0.00 C ATOM 0 H VAL A 49 -1.759 -5.712 4.892 1.00 0.00 H new ATOM 0 HA VAL A 49 0.778 -6.986 5.421 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.118 -7.576 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.300 -9.145 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.901 -9.658 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.354 -8.934 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.446 -6.836 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.182 -6.474 7.768 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.220 -5.553 7.174 1.00 0.00 H new ATOM 664 N ARG A 50 0.684 -9.082 3.993 1.00 0.00 N ATOM 665 CA ARG A 50 0.744 -10.165 3.016 1.00 0.00 C ATOM 666 C ARG A 50 1.199 -11.417 3.684 1.00 0.00 C ATOM 667 O ARG A 50 2.046 -11.391 4.587 1.00 0.00 O ATOM 668 CB ARG A 50 1.693 -9.847 1.853 1.00 0.00 C ATOM 669 CG ARG A 50 1.331 -8.613 1.070 1.00 0.00 C ATOM 670 CD ARG A 50 0.026 -8.748 0.312 1.00 0.00 C ATOM 671 NE ARG A 50 0.092 -9.691 -0.810 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.911 -9.901 -1.670 1.00 0.00 C ATOM 673 NH1 ARG A 50 -2.111 -9.372 -1.436 1.00 0.00 N ATOM 674 NH2 ARG A 50 -0.726 -10.657 -2.740 1.00 0.00 N ATOM 0 H ARG A 50 1.488 -9.044 4.620 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.259 -10.289 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.703 -9.729 2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.713 -10.700 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.262 -7.765 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.132 -8.390 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.753 -9.072 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.268 -7.768 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 50 0.955 -10.218 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.265 -8.807 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.876 -9.532 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.185 -11.083 -2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.494 -10.814 -3.393 1.00 0.00 H new ATOM 688 N VAL A 51 0.663 -12.478 3.221 1.00 0.00 N ATOM 689 CA VAL A 51 0.914 -13.805 3.719 1.00 0.00 C ATOM 690 C VAL A 51 2.299 -14.274 3.292 1.00 0.00 C ATOM 691 O VAL A 51 2.788 -13.908 2.213 1.00 0.00 O ATOM 692 CB VAL A 51 -0.186 -14.750 3.195 1.00 0.00 C ATOM 693 CG1 VAL A 51 0.112 -16.215 3.463 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.508 -14.384 3.816 1.00 0.00 C ATOM 0 H VAL A 51 0.001 -12.462 2.445 1.00 0.00 H new ATOM 0 HA VAL A 51 0.890 -13.806 4.809 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.223 -14.623 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.699 -16.829 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.046 -16.492 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.203 -16.377 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.283 -15.054 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.439 -14.476 4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.761 -13.356 3.555 1.00 0.00 H new ATOM 704 N GLY A 52 2.953 -15.029 4.156 1.00 0.00 N ATOM 705 CA GLY A 52 4.281 -15.507 3.855 1.00 0.00 C ATOM 706 C GLY A 52 5.302 -14.469 4.225 1.00 0.00 C ATOM 707 O GLY A 52 6.416 -14.447 3.711 1.00 0.00 O ATOM 0 H GLY A 52 2.587 -15.320 5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.476 -16.430 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.359 -15.742 2.794 1.00 0.00 H new ATOM 711 N HIS A 53 4.896 -13.574 5.081 1.00 0.00 N ATOM 712 CA HIS A 53 5.752 -12.539 5.569 1.00 0.00 C ATOM 713 C HIS A 53 5.977 -12.705 7.040 1.00 0.00 C ATOM 714 O HIS A 53 5.084 -13.118 7.764 1.00 0.00 O ATOM 715 CB HIS A 53 5.197 -11.144 5.277 1.00 0.00 C ATOM 716 CG HIS A 53 5.426 -10.644 3.882 1.00 0.00 C ATOM 717 ND1 HIS A 53 6.187 -9.525 3.604 1.00 0.00 N ATOM 718 CD2 HIS A 53 4.964 -11.080 2.690 1.00 0.00 C ATOM 719 CE1 HIS A 53 6.176 -9.304 2.311 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.446 -10.227 1.739 1.00 0.00 N ATOM 0 H HIS A 53 3.950 -13.545 5.462 1.00 0.00 H new ATOM 0 HA HIS A 53 6.702 -12.629 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.125 -11.149 5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.645 -10.439 5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.333 -11.940 2.521 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.684 -8.497 1.804 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.265 -10.298 0.738 1.00 0.00 H new ATOM 729 N ARG A 54 7.155 -12.380 7.468 1.00 0.00 N ATOM 730 CA ARG A 54 7.532 -12.483 8.844 1.00 0.00 C ATOM 731 C ARG A 54 7.553 -11.100 9.412 1.00 0.00 C ATOM 732 O ARG A 54 8.289 -10.240 8.920 1.00 0.00 O ATOM 733 CB ARG A 54 8.915 -13.128 8.956 1.00 0.00 C ATOM 734 CG ARG A 54 9.424 -13.331 10.373 1.00 0.00 C ATOM 735 CD ARG A 54 10.769 -14.036 10.353 1.00 0.00 C ATOM 736 NE ARG A 54 11.298 -14.276 11.693 1.00 0.00 N ATOM 737 CZ ARG A 54 12.554 -14.676 11.957 1.00 0.00 C ATOM 738 NH1 ARG A 54 13.375 -14.992 10.960 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.970 -14.803 13.220 1.00 0.00 N ATOM 0 H ARG A 54 7.896 -12.029 6.861 1.00 0.00 H new ATOM 0 HA ARG A 54 6.825 -13.105 9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.888 -14.096 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.631 -12.509 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.518 -12.368 10.875 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.706 -13.919 10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.669 -14.987 9.830 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.481 -13.435 9.787 1.00 0.00 H new ATOM 0 HE ARG A 54 10.671 -14.130 12.484 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.052 -14.931 9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.328 -15.295 11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.334 -14.596 13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.924 -15.107 13.415 1.00 0.00 H new ATOM 753 N ILE A 55 6.719 -10.866 10.365 1.00 0.00 N ATOM 754 CA ILE A 55 6.656 -9.598 11.019 1.00 0.00 C ATOM 755 C ILE A 55 7.844 -9.450 11.926 1.00 0.00 C ATOM 756 O ILE A 55 8.103 -10.299 12.780 1.00 0.00 O ATOM 757 CB ILE A 55 5.365 -9.432 11.834 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.155 -9.630 10.934 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.324 -8.058 12.503 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.865 -9.346 11.614 1.00 0.00 C ATOM 0 H ILE A 55 6.054 -11.554 10.718 1.00 0.00 H new ATOM 0 HA ILE A 55 6.662 -8.825 10.251 1.00 0.00 H new ATOM 0 HB ILE A 55 5.344 -10.189 12.618 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.249 -8.982 10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.147 -10.657 10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.402 -7.960 13.076 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.179 -7.953 13.171 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.362 -7.281 11.740 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.043 -9.506 10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.750 -10.012 12.469 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.854 -8.311 11.956 1.00 0.00 H new ATOM 772 N ILE A 56 8.580 -8.410 11.717 1.00 0.00 N ATOM 773 CA ILE A 56 9.739 -8.177 12.488 1.00 0.00 C ATOM 774 C ILE A 56 9.575 -6.999 13.441 1.00 0.00 C ATOM 775 O ILE A 56 10.444 -6.756 14.281 1.00 0.00 O ATOM 776 CB ILE A 56 11.065 -8.130 11.616 1.00 0.00 C ATOM 777 CG1 ILE A 56 11.112 -6.962 10.618 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.233 -9.424 10.839 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.633 -5.662 11.173 1.00 0.00 C ATOM 0 H ILE A 56 8.390 -7.703 11.007 1.00 0.00 H new ATOM 0 HA ILE A 56 9.867 -9.048 13.131 1.00 0.00 H new ATOM 0 HB ILE A 56 11.876 -7.988 12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.735 -7.253 9.772 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.107 -6.796 10.231 1.00 0.00 H new ATOM 0 HG21 ILE A 56 12.146 -9.376 10.246 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.295 -10.261 11.535 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.378 -9.565 10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.626 -4.903 10.390 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.998 -5.338 11.998 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.652 -5.802 11.533 1.00 0.00 H new ATOM 791 N GLU A 57 8.432 -6.310 13.365 1.00 0.00 N ATOM 792 CA GLU A 57 8.194 -5.158 14.245 1.00 0.00 C ATOM 793 C GLU A 57 6.742 -4.852 14.321 1.00 0.00 C ATOM 794 O GLU A 57 6.024 -5.063 13.363 1.00 0.00 O ATOM 795 CB GLU A 57 8.925 -3.899 13.737 1.00 0.00 C ATOM 796 CG GLU A 57 8.716 -2.648 14.599 1.00 0.00 C ATOM 797 CD GLU A 57 8.992 -1.346 13.855 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.138 -1.118 13.437 1.00 0.00 O ATOM 799 OE2 GLU A 57 8.040 -0.514 13.688 1.00 0.00 O ATOM 0 H GLU A 57 7.672 -6.522 12.719 1.00 0.00 H new ATOM 0 HA GLU A 57 8.577 -5.425 15.230 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.993 -4.112 13.682 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.590 -3.685 12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.690 -2.637 14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.367 -2.704 15.471 1.00 0.00 H new ATOM 806 N ILE A 58 6.335 -4.384 15.479 1.00 0.00 N ATOM 807 CA ILE A 58 5.021 -3.874 15.738 1.00 0.00 C ATOM 808 C ILE A 58 5.186 -2.696 16.681 1.00 0.00 C ATOM 809 O ILE A 58 5.776 -2.837 17.743 1.00 0.00 O ATOM 810 CB ILE A 58 4.111 -4.917 16.410 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.899 -6.115 15.496 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.762 -4.283 16.762 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.351 -7.309 16.201 1.00 0.00 C ATOM 0 H ILE A 58 6.943 -4.350 16.298 1.00 0.00 H new ATOM 0 HA ILE A 58 4.553 -3.597 14.793 1.00 0.00 H new ATOM 0 HB ILE A 58 4.596 -5.261 17.323 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.219 -5.833 14.692 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.849 -6.381 15.032 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.123 -5.027 17.237 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.919 -3.449 17.447 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.282 -3.920 15.853 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.225 -8.125 15.490 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.041 -7.616 16.987 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.386 -7.060 16.642 1.00 0.00 H new ATOM 825 N ASN A 59 4.742 -1.542 16.254 1.00 0.00 N ATOM 826 CA ASN A 59 4.767 -0.298 17.047 1.00 0.00 C ATOM 827 C ASN A 59 6.147 0.089 17.579 1.00 0.00 C ATOM 828 O ASN A 59 6.261 0.797 18.588 1.00 0.00 O ATOM 829 CB ASN A 59 3.723 -0.359 18.162 1.00 0.00 C ATOM 830 CG ASN A 59 2.340 -0.057 17.641 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.057 -0.229 16.451 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.465 0.349 18.515 1.00 0.00 N ATOM 0 H ASN A 59 4.339 -1.418 15.325 1.00 0.00 H new ATOM 0 HA ASN A 59 4.508 0.506 16.358 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.733 -1.349 18.618 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.982 0.355 18.944 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.505 0.537 18.226 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.739 0.479 19.489 1.00 0.00 H new ATOM 839 N GLY A 60 7.186 -0.321 16.885 1.00 0.00 N ATOM 840 CA GLY A 60 8.525 0.047 17.281 1.00 0.00 C ATOM 841 C GLY A 60 9.254 -1.033 18.042 1.00 0.00 C ATOM 842 O GLY A 60 10.445 -0.889 18.338 1.00 0.00 O ATOM 0 H GLY A 60 7.130 -0.905 16.050 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.100 0.302 16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.478 0.944 17.898 1.00 0.00 H new ATOM 846 N GLN A 61 8.569 -2.103 18.377 1.00 0.00 N ATOM 847 CA GLN A 61 9.211 -3.185 19.079 1.00 0.00 C ATOM 848 C GLN A 61 9.373 -4.348 18.146 1.00 0.00 C ATOM 849 O GLN A 61 8.468 -4.647 17.350 1.00 0.00 O ATOM 850 CB GLN A 61 8.476 -3.563 20.389 1.00 0.00 C ATOM 851 CG GLN A 61 7.051 -4.060 20.215 1.00 0.00 C ATOM 852 CD GLN A 61 6.359 -4.324 21.530 1.00 0.00 C ATOM 853 OE1 GLN A 61 6.419 -5.419 22.074 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.680 -3.333 22.044 1.00 0.00 N ATOM 0 H GLN A 61 7.579 -2.245 18.177 1.00 0.00 H new ATOM 0 HA GLN A 61 10.200 -2.858 19.400 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.052 -4.334 20.900 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.462 -2.691 21.043 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.480 -3.322 19.651 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.060 -4.976 19.624 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.650 -2.433 21.565 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.180 -3.460 22.924 1.00 0.00 H new ATOM 863 N SER A 62 10.526 -4.962 18.178 1.00 0.00 N ATOM 864 CA SER A 62 10.796 -6.058 17.320 1.00 0.00 C ATOM 865 C SER A 62 10.177 -7.283 17.933 1.00 0.00 C ATOM 866 O SER A 62 10.643 -7.802 18.943 1.00 0.00 O ATOM 867 CB SER A 62 12.295 -6.235 17.114 1.00 0.00 C ATOM 868 OG SER A 62 12.570 -7.182 16.093 1.00 0.00 O ATOM 0 H SER A 62 11.294 -4.709 18.800 1.00 0.00 H new ATOM 0 HA SER A 62 10.367 -5.880 16.334 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.744 -5.276 16.853 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.756 -6.559 18.047 1.00 0.00 H new ATOM 0 HG SER A 62 11.881 -7.123 15.398 1.00 0.00 H new ATOM 874 N VAL A 63 9.134 -7.746 17.321 1.00 0.00 N ATOM 875 CA VAL A 63 8.354 -8.812 17.846 1.00 0.00 C ATOM 876 C VAL A 63 8.734 -10.095 17.161 1.00 0.00 C ATOM 877 O VAL A 63 8.075 -11.115 17.283 1.00 0.00 O ATOM 878 CB VAL A 63 6.875 -8.507 17.626 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.540 -7.156 18.268 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.572 -8.491 16.134 1.00 0.00 C ATOM 0 H VAL A 63 8.798 -7.386 16.428 1.00 0.00 H new ATOM 0 HA VAL A 63 8.539 -8.918 18.915 1.00 0.00 H new ATOM 0 HB VAL A 63 6.260 -9.278 18.091 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.484 -6.932 18.114 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.750 -7.199 19.337 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.147 -6.375 17.810 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.515 -8.273 15.980 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.175 -7.724 15.648 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.808 -9.465 15.704 1.00 0.00 H new ATOM 890 N VAL A 64 9.859 -10.038 16.506 1.00 0.00 N ATOM 891 CA VAL A 64 10.345 -11.113 15.708 1.00 0.00 C ATOM 892 C VAL A 64 10.778 -12.296 16.588 1.00 0.00 C ATOM 893 O VAL A 64 10.808 -13.452 16.147 1.00 0.00 O ATOM 894 CB VAL A 64 11.496 -10.625 14.811 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.810 -10.467 15.553 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.616 -11.477 13.595 1.00 0.00 C ATOM 0 H VAL A 64 10.472 -9.223 16.516 1.00 0.00 H new ATOM 0 HA VAL A 64 9.539 -11.466 15.065 1.00 0.00 H new ATOM 0 HB VAL A 64 11.241 -9.617 14.483 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.579 -10.120 14.862 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.689 -9.740 16.356 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.107 -11.427 15.975 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.436 -11.114 12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.814 -12.507 13.891 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.686 -11.434 13.028 1.00 0.00 H new ATOM 906 N ALA A 65 11.059 -11.995 17.833 1.00 0.00 N ATOM 907 CA ALA A 65 11.474 -12.977 18.791 1.00 0.00 C ATOM 908 C ALA A 65 10.475 -13.020 19.938 1.00 0.00 C ATOM 909 O ALA A 65 10.734 -13.613 20.996 1.00 0.00 O ATOM 910 CB ALA A 65 12.851 -12.623 19.292 1.00 0.00 C ATOM 0 H ALA A 65 11.004 -11.048 18.208 1.00 0.00 H new ATOM 0 HA ALA A 65 11.510 -13.964 18.329 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.175 -13.365 20.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.550 -12.608 18.456 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.826 -11.640 19.762 1.00 0.00 H new ATOM 916 N THR A 66 9.348 -12.408 19.713 1.00 0.00 N ATOM 917 CA THR A 66 8.291 -12.325 20.645 1.00 0.00 C ATOM 918 C THR A 66 7.366 -13.534 20.416 1.00 0.00 C ATOM 919 O THR A 66 7.094 -13.885 19.270 1.00 0.00 O ATOM 920 CB THR A 66 7.568 -10.978 20.397 1.00 0.00 C ATOM 921 OG1 THR A 66 8.518 -9.918 20.594 1.00 0.00 O ATOM 922 CG2 THR A 66 6.399 -10.755 21.321 1.00 0.00 C ATOM 0 H THR A 66 9.145 -11.936 18.832 1.00 0.00 H new ATOM 0 HA THR A 66 8.632 -12.352 21.680 1.00 0.00 H new ATOM 0 HB THR A 66 7.175 -10.996 19.380 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.053 -9.117 20.913 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.936 -9.794 21.096 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.668 -11.552 21.182 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.746 -10.757 22.354 1.00 0.00 H new ATOM 930 N PRO A 67 6.958 -14.232 21.490 1.00 0.00 N ATOM 931 CA PRO A 67 6.079 -15.395 21.375 1.00 0.00 C ATOM 932 C PRO A 67 4.705 -15.032 20.811 1.00 0.00 C ATOM 933 O PRO A 67 4.246 -13.877 20.949 1.00 0.00 O ATOM 934 CB PRO A 67 5.942 -15.907 22.815 1.00 0.00 C ATOM 935 CG PRO A 67 6.373 -14.780 23.682 1.00 0.00 C ATOM 936 CD PRO A 67 7.350 -13.968 22.884 1.00 0.00 C ATOM 0 HA PRO A 67 6.489 -16.136 20.688 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.914 -16.197 23.032 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.563 -16.788 22.979 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.518 -14.173 23.980 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.835 -15.151 24.597 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.282 -12.907 23.126 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.378 -14.274 23.077 1.00 0.00 H new ATOM 944 N HIS A 68 4.053 -16.033 20.210 1.00 0.00 N ATOM 945 CA HIS A 68 2.724 -15.920 19.578 1.00 0.00 C ATOM 946 C HIS A 68 1.752 -15.154 20.466 1.00 0.00 C ATOM 947 O HIS A 68 1.139 -14.185 20.024 1.00 0.00 O ATOM 948 CB HIS A 68 2.156 -17.349 19.301 1.00 0.00 C ATOM 949 CG HIS A 68 0.774 -17.405 18.662 1.00 0.00 C ATOM 950 ND1 HIS A 68 0.533 -17.995 17.449 1.00 0.00 N ATOM 951 CD2 HIS A 68 -0.439 -16.961 19.098 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.752 -17.899 17.159 1.00 0.00 C ATOM 953 NE2 HIS A 68 -1.356 -17.277 18.142 1.00 0.00 N ATOM 0 H HIS A 68 4.442 -16.974 20.145 1.00 0.00 H new ATOM 0 HA HIS A 68 2.838 -15.372 18.642 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.856 -17.878 18.654 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.121 -17.894 20.244 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.636 -16.452 20.030 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.226 -18.271 16.262 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.353 -17.064 18.184 1.00 0.00 H new ATOM 962 N GLU A 69 1.629 -15.601 21.698 1.00 0.00 N ATOM 963 CA GLU A 69 0.699 -15.042 22.655 1.00 0.00 C ATOM 964 C GLU A 69 0.932 -13.570 22.853 1.00 0.00 C ATOM 965 O GLU A 69 -0.018 -12.781 22.904 1.00 0.00 O ATOM 966 CB GLU A 69 0.865 -15.704 23.981 1.00 0.00 C ATOM 967 CG GLU A 69 -0.196 -15.301 24.961 1.00 0.00 C ATOM 968 CD GLU A 69 0.002 -15.870 26.322 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.250 -17.064 26.513 1.00 0.00 O ATOM 970 OE2 GLU A 69 0.407 -15.113 27.235 1.00 0.00 O ATOM 0 H GLU A 69 2.181 -16.375 22.068 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.303 -15.206 22.259 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.841 -16.786 23.849 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.845 -15.454 24.388 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.220 -14.214 25.031 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.168 -15.617 24.582 1.00 0.00 H new ATOM 977 N LYS A 70 2.193 -13.206 22.964 1.00 0.00 N ATOM 978 CA LYS A 70 2.554 -11.843 23.182 1.00 0.00 C ATOM 979 C LYS A 70 2.176 -11.023 21.995 1.00 0.00 C ATOM 980 O LYS A 70 1.408 -10.104 22.125 1.00 0.00 O ATOM 981 CB LYS A 70 4.040 -11.699 23.486 1.00 0.00 C ATOM 982 CG LYS A 70 4.394 -11.339 24.935 1.00 0.00 C ATOM 983 CD LYS A 70 4.212 -12.456 25.970 1.00 0.00 C ATOM 984 CE LYS A 70 2.769 -12.798 26.231 1.00 0.00 C ATOM 985 NZ LYS A 70 2.626 -13.687 27.401 1.00 0.00 N ATOM 0 H LYS A 70 2.982 -13.850 22.905 1.00 0.00 H new ATOM 0 HA LYS A 70 2.009 -11.481 24.054 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.536 -12.636 23.233 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.453 -10.933 22.830 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.433 -11.011 24.963 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.783 -10.488 25.237 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.733 -13.349 25.625 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.682 -12.154 26.906 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.201 -11.882 26.397 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.344 -13.281 25.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.644 -14.025 27.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.266 -14.500 27.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.866 -13.163 28.267 1.00 0.00 H new ATOM 999 N ILE A 71 2.646 -11.428 20.833 1.00 0.00 N ATOM 1000 CA ILE A 71 2.358 -10.742 19.570 1.00 0.00 C ATOM 1001 C ILE A 71 0.845 -10.512 19.421 1.00 0.00 C ATOM 1002 O ILE A 71 0.400 -9.408 19.088 1.00 0.00 O ATOM 1003 CB ILE A 71 2.876 -11.556 18.340 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.381 -11.808 18.449 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.575 -10.827 17.041 1.00 0.00 C ATOM 1006 CD1 ILE A 71 4.963 -12.589 17.286 1.00 0.00 C ATOM 0 H ILE A 71 3.244 -12.248 20.728 1.00 0.00 H new ATOM 0 HA ILE A 71 2.878 -9.785 19.595 1.00 0.00 H new ATOM 0 HB ILE A 71 2.355 -12.514 18.336 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.895 -10.850 18.523 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.582 -12.349 19.373 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.945 -11.414 16.200 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.498 -10.690 16.942 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.065 -9.854 17.048 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.034 -12.726 17.439 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.478 -13.563 17.223 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.796 -12.040 16.359 1.00 0.00 H new ATOM 1018 N VAL A 72 0.064 -11.531 19.760 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.379 -11.425 19.689 1.00 0.00 C ATOM 1020 C VAL A 72 -1.909 -10.424 20.724 1.00 0.00 C ATOM 1021 O VAL A 72 -2.764 -9.604 20.405 1.00 0.00 O ATOM 1022 CB VAL A 72 -2.071 -12.812 19.834 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.587 -12.681 19.928 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.714 -13.680 18.647 1.00 0.00 C ATOM 0 H VAL A 72 0.409 -12.434 20.085 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.629 -11.047 18.698 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.716 -13.269 20.758 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.032 -13.671 20.028 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.847 -12.077 20.797 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.967 -12.202 19.026 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.198 -14.651 18.748 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.053 -13.199 17.729 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.633 -13.816 18.607 1.00 0.00 H new ATOM 1034 N HIS A 73 -1.351 -10.449 21.924 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.779 -9.555 22.991 1.00 0.00 C ATOM 1036 C HIS A 73 -1.478 -8.112 22.614 1.00 0.00 C ATOM 1037 O HIS A 73 -2.326 -7.232 22.791 1.00 0.00 O ATOM 1038 CB HIS A 73 -1.113 -9.925 24.340 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.491 -9.012 25.489 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.611 -9.193 26.257 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -0.883 -7.898 25.974 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.682 -8.237 27.158 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.643 -7.439 27.005 1.00 0.00 N ATOM 0 H HIS A 73 -0.596 -11.083 22.186 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.856 -9.667 23.119 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.386 -10.948 24.599 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.030 -9.905 24.216 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.033 -7.458 25.609 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.460 -8.125 27.898 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.442 -6.612 27.568 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.284 -7.885 22.077 1.00 0.00 N ATOM 1053 CA ILE A 74 0.129 -6.577 21.637 1.00 0.00 C ATOM 1054 C ILE A 74 -0.825 -6.079 20.539 1.00 0.00 C ATOM 1055 O ILE A 74 -1.407 -4.999 20.660 1.00 0.00 O ATOM 1056 CB ILE A 74 1.639 -6.546 21.146 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.667 -6.538 22.317 1.00 0.00 C ATOM 1058 CG2 ILE A 74 1.907 -5.373 20.226 1.00 0.00 C ATOM 1059 CD1 ILE A 74 2.836 -7.825 23.091 1.00 0.00 C ATOM 0 H ILE A 74 0.419 -8.611 21.939 1.00 0.00 H new ATOM 0 HA ILE A 74 0.077 -5.904 22.493 1.00 0.00 H new ATOM 0 HB ILE A 74 1.778 -7.474 20.592 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.639 -6.256 21.912 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.375 -5.757 23.019 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.951 -5.388 19.912 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.264 -5.444 19.349 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.700 -4.442 20.754 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.579 -7.683 23.876 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.884 -8.107 23.540 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.167 -8.614 22.416 1.00 0.00 H new ATOM 1071 N LEU A 75 -1.046 -6.913 19.525 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.929 -6.569 18.406 1.00 0.00 C ATOM 1073 C LEU A 75 -3.366 -6.361 18.845 1.00 0.00 C ATOM 1074 O LEU A 75 -4.075 -5.572 18.265 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.873 -7.624 17.306 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.552 -7.736 16.554 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.605 -8.893 15.575 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.241 -6.433 15.822 1.00 0.00 C ATOM 0 H LEU A 75 -0.624 -7.839 19.453 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.559 -5.623 18.009 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.100 -8.594 17.748 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.662 -7.410 16.585 1.00 0.00 H new ATOM 0 HG LEU A 75 0.244 -7.923 17.275 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.344 -8.964 15.043 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.787 -9.821 16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.410 -8.727 14.859 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.706 -6.531 15.291 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.037 -6.217 15.109 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.170 -5.619 16.543 1.00 0.00 H new ATOM 1090 N SER A 76 -3.783 -7.065 19.860 1.00 0.00 N ATOM 1091 CA SER A 76 -5.135 -6.941 20.366 1.00 0.00 C ATOM 1092 C SER A 76 -5.367 -5.610 21.083 1.00 0.00 C ATOM 1093 O SER A 76 -6.471 -5.118 21.106 1.00 0.00 O ATOM 1094 CB SER A 76 -5.493 -8.117 21.282 1.00 0.00 C ATOM 1095 OG SER A 76 -5.376 -9.355 20.591 1.00 0.00 O ATOM 0 H SER A 76 -3.205 -7.739 20.362 1.00 0.00 H new ATOM 0 HA SER A 76 -5.797 -6.962 19.500 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.836 -8.118 22.152 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.511 -7.998 21.652 1.00 0.00 H new ATOM 0 HG SER A 76 -4.484 -9.731 20.743 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.318 -5.023 21.647 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.494 -3.800 22.448 1.00 0.00 C ATOM 1103 C ASN A 77 -4.133 -2.544 21.682 1.00 0.00 C ATOM 1104 O ASN A 77 -4.423 -1.433 22.131 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.694 -3.838 23.778 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.201 -4.851 24.810 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -4.671 -5.977 24.367 1.00 0.00 O flip ATOM 1108 ND2 ASN A 77 -4.126 -4.617 26.020 1.00 0.00 N flip ATOM 0 H ASN A 77 -3.357 -5.357 21.573 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.558 -3.768 22.683 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.652 -4.063 23.551 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.715 -2.844 24.226 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.753 -3.725 26.345 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.437 -5.316 26.695 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.510 -2.697 20.539 1.00 0.00 N ATOM 1116 CA ALA A 78 -3.067 -1.536 19.786 1.00 0.00 C ATOM 1117 C ALA A 78 -4.087 -1.106 18.753 1.00 0.00 C ATOM 1118 O ALA A 78 -4.629 -1.940 18.028 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.672 -1.762 19.149 1.00 0.00 C ATOM 0 H ALA A 78 -3.298 -3.598 20.110 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.970 -0.717 20.499 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.376 -0.871 18.595 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.942 -1.960 19.933 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.716 -2.614 18.470 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.373 0.192 18.718 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.241 0.788 17.714 1.00 0.00 C ATOM 1127 C VAL A 79 -4.516 2.023 17.153 1.00 0.00 C ATOM 1128 O VAL A 79 -3.479 2.419 17.692 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.684 1.181 18.266 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -7.148 0.281 19.331 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.856 2.620 18.660 1.00 0.00 C ATOM 0 H VAL A 79 -4.005 0.863 19.392 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.429 0.047 16.937 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.328 1.046 17.397 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.135 0.596 19.669 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.203 -0.738 18.948 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.450 0.317 20.167 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.872 2.779 19.021 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.147 2.868 19.450 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.674 3.258 17.795 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.053 2.638 16.121 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.401 3.764 15.496 1.00 0.00 C ATOM 1143 C GLY A 80 -3.298 3.283 14.607 1.00 0.00 C ATOM 1144 O GLY A 80 -3.410 2.186 14.060 1.00 0.00 O ATOM 0 H GLY A 80 -5.943 2.374 15.697 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.124 4.338 14.916 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.001 4.433 16.258 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.277 4.101 14.441 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.068 3.767 13.708 1.00 0.00 C ATOM 1150 C GLU A 81 -0.379 2.571 14.304 1.00 0.00 C ATOM 1151 O GLU A 81 0.190 2.632 15.410 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.073 4.927 13.705 1.00 0.00 C ATOM 1153 CG GLU A 81 -0.506 6.140 12.932 1.00 0.00 C ATOM 1154 CD GLU A 81 0.563 7.192 12.900 1.00 0.00 C ATOM 1155 OE1 GLU A 81 1.554 7.010 12.168 1.00 0.00 O ATOM 1156 OE2 GLU A 81 0.433 8.217 13.597 1.00 0.00 O ATOM 0 H GLU A 81 -2.264 5.046 14.824 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.383 3.547 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.119 5.223 14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.872 4.573 13.294 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.761 5.850 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.409 6.553 13.381 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.443 1.502 13.605 1.00 0.00 N ATOM 1164 CA ILE A 82 0.236 0.314 13.979 1.00 0.00 C ATOM 1165 C ILE A 82 1.226 0.046 12.945 1.00 0.00 C ATOM 1166 O ILE A 82 0.908 -0.139 11.773 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.716 -0.864 14.212 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.678 -0.510 15.338 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.054 -2.151 14.537 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.828 -1.447 15.467 1.00 0.00 C ATOM 0 H ILE A 82 -0.978 1.423 12.740 1.00 0.00 H new ATOM 0 HA ILE A 82 0.728 0.449 14.942 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.278 -1.050 13.297 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.129 -0.493 16.279 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.060 0.498 15.173 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.651 -2.967 14.697 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.714 -2.400 13.706 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.647 -2.002 15.440 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.467 -1.128 16.290 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.403 -1.447 14.541 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.457 -2.453 15.664 1.00 0.00 H new ATOM 1182 N HIS A 83 2.414 0.057 13.378 1.00 0.00 N ATOM 1183 CA HIS A 83 3.509 0.022 12.530 1.00 0.00 C ATOM 1184 C HIS A 83 4.134 -1.307 12.592 1.00 0.00 C ATOM 1185 O HIS A 83 4.618 -1.702 13.617 1.00 0.00 O ATOM 1186 CB HIS A 83 4.477 1.045 13.024 1.00 0.00 C ATOM 1187 CG HIS A 83 5.393 1.485 12.012 1.00 0.00 C ATOM 1188 ND1 HIS A 83 6.705 1.126 11.955 1.00 0.00 N ATOM 1189 CD2 HIS A 83 5.162 2.305 11.020 1.00 0.00 C ATOM 1190 CE1 HIS A 83 7.262 1.734 10.934 1.00 0.00 C ATOM 1191 NE2 HIS A 83 6.337 2.467 10.338 1.00 0.00 N ATOM 0 H HIS A 83 2.654 0.092 14.369 1.00 0.00 H new ATOM 0 HA HIS A 83 3.213 0.224 11.501 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.926 1.904 13.406 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.040 0.630 13.860 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.176 0.490 12.599 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.216 2.770 10.782 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.296 1.650 10.633 1.00 0.00 H new ATOM 1200 N MET A 84 4.117 -1.991 11.533 1.00 0.00 N ATOM 1201 CA MET A 84 4.742 -3.249 11.508 1.00 0.00 C ATOM 1202 C MET A 84 5.740 -3.267 10.411 1.00 0.00 C ATOM 1203 O MET A 84 5.625 -2.524 9.446 1.00 0.00 O ATOM 1204 CB MET A 84 3.759 -4.371 11.278 1.00 0.00 C ATOM 1205 CG MET A 84 2.580 -4.424 12.227 1.00 0.00 C ATOM 1206 SD MET A 84 1.600 -5.898 11.955 1.00 0.00 S ATOM 1207 CE MET A 84 1.594 -5.914 10.170 1.00 0.00 C ATOM 0 H MET A 84 3.675 -1.705 10.659 1.00 0.00 H new ATOM 0 HA MET A 84 5.212 -3.404 12.479 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.378 -4.291 10.260 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.296 -5.317 11.344 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.937 -4.406 13.257 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.958 -3.539 12.089 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.858 -6.636 9.815 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.338 -4.922 9.798 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.582 -6.194 9.805 1.00 0.00 H new ATOM 1217 N LYS A 85 6.695 -4.086 10.543 1.00 0.00 N ATOM 1218 CA LYS A 85 7.675 -4.280 9.520 1.00 0.00 C ATOM 1219 C LYS A 85 7.616 -5.714 9.183 1.00 0.00 C ATOM 1220 O LYS A 85 7.703 -6.550 10.064 1.00 0.00 O ATOM 1221 CB LYS A 85 9.067 -3.964 10.014 1.00 0.00 C ATOM 1222 CG LYS A 85 9.325 -2.563 10.469 1.00 0.00 C ATOM 1223 CD LYS A 85 9.495 -1.596 9.331 1.00 0.00 C ATOM 1224 CE LYS A 85 10.264 -0.402 9.822 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.508 0.611 8.777 1.00 0.00 N ATOM 0 H LYS A 85 6.838 -4.661 11.373 1.00 0.00 H new ATOM 0 HA LYS A 85 7.471 -3.626 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.293 -4.636 10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.771 -4.195 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.498 -2.233 11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.222 -2.548 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.024 -2.073 8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.522 -1.287 8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.717 0.060 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.221 -0.736 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.042 1.406 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.056 0.185 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.599 0.956 8.409 1.00 0.00 H new ATOM 1239 N THR A 86 7.409 -6.009 7.974 1.00 0.00 N ATOM 1240 CA THR A 86 7.307 -7.367 7.566 1.00 0.00 C ATOM 1241 C THR A 86 8.388 -7.705 6.549 1.00 0.00 C ATOM 1242 O THR A 86 8.656 -6.933 5.642 1.00 0.00 O ATOM 1243 CB THR A 86 5.891 -7.686 6.997 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.645 -6.934 5.797 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.814 -7.338 8.015 1.00 0.00 C ATOM 0 H THR A 86 7.303 -5.326 7.224 1.00 0.00 H new ATOM 0 HA THR A 86 7.456 -7.991 8.447 1.00 0.00 H new ATOM 0 HB THR A 86 5.858 -8.753 6.775 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.090 -6.063 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.833 -7.568 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.969 -7.921 8.923 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.868 -6.276 8.253 1.00 0.00 H new ATOM 1253 N MET A 87 9.021 -8.825 6.727 1.00 0.00 N ATOM 1254 CA MET A 87 10.023 -9.306 5.794 1.00 0.00 C ATOM 1255 C MET A 87 9.381 -10.437 5.039 1.00 0.00 C ATOM 1256 O MET A 87 8.374 -10.944 5.500 1.00 0.00 O ATOM 1257 CB MET A 87 11.269 -9.811 6.551 1.00 0.00 C ATOM 1258 CG MET A 87 11.981 -8.735 7.336 1.00 0.00 C ATOM 1259 SD MET A 87 13.489 -9.311 8.154 1.00 0.00 S ATOM 1260 CE MET A 87 14.522 -9.710 6.737 1.00 0.00 C ATOM 0 H MET A 87 8.864 -9.442 7.524 1.00 0.00 H new ATOM 0 HA MET A 87 10.352 -8.512 5.124 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.971 -10.608 7.232 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.966 -10.247 5.835 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.233 -7.914 6.665 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.300 -8.335 8.088 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.564 -9.769 7.051 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.214 -10.669 6.321 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.415 -8.934 5.979 1.00 0.00 H new ATOM 1270 N PRO A 88 9.908 -10.874 3.893 1.00 0.00 N ATOM 1271 CA PRO A 88 9.325 -12.005 3.118 1.00 0.00 C ATOM 1272 C PRO A 88 9.515 -13.376 3.807 1.00 0.00 C ATOM 1273 O PRO A 88 9.334 -14.424 3.189 1.00 0.00 O ATOM 1274 CB PRO A 88 10.103 -11.961 1.804 1.00 0.00 C ATOM 1275 CG PRO A 88 11.396 -11.324 2.156 1.00 0.00 C ATOM 1276 CD PRO A 88 11.076 -10.292 3.188 1.00 0.00 C ATOM 0 HA PRO A 88 8.246 -11.901 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.252 -12.961 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.570 -11.385 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.101 -12.059 2.544 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.859 -10.870 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.914 -10.125 3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.836 -9.330 2.735 1.00 0.00 H new ATOM 1284 N ALA A 89 9.884 -13.335 5.099 1.00 0.00 N ATOM 1285 CA ALA A 89 10.107 -14.518 5.935 1.00 0.00 C ATOM 1286 C ALA A 89 11.296 -15.317 5.428 1.00 0.00 C ATOM 1287 O ALA A 89 11.442 -16.503 5.708 1.00 0.00 O ATOM 1288 CB ALA A 89 8.835 -15.365 6.030 1.00 0.00 C ATOM 0 H ALA A 89 10.038 -12.458 5.598 1.00 0.00 H new ATOM 0 HA ALA A 89 10.348 -14.191 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.025 -16.237 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.034 -14.771 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.540 -15.691 5.033 1.00 0.00 H new ATOM 1294 N ALA A 90 12.156 -14.641 4.713 1.00 0.00 N ATOM 1295 CA ALA A 90 13.355 -15.218 4.206 1.00 0.00 C ATOM 1296 C ALA A 90 14.470 -14.856 5.150 1.00 0.00 C ATOM 1297 O ALA A 90 15.072 -13.787 4.992 1.00 0.00 O ATOM 1298 CB ALA A 90 13.642 -14.712 2.798 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.688 -15.613 6.121 1.00 0.00 O ATOM 0 H ALA A 90 12.033 -13.659 4.467 1.00 0.00 H new ATOM 0 HA ALA A 90 13.258 -16.302 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.562 -15.165 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.816 -14.981 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.753 -13.628 2.817 1.00 0.00 H new TER 1305 ALA A 90