USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 517 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 67 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.07) USER MOD Set 1.2: A 72 MET CE :methyl 165:sc= 0 (180deg=0) USER MOD Set 2.1: A 11 THR OG1 : rot -66:sc= 1.12 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -0.864 K(o=0.26,f=-5.6!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -5.08 K(o=-5.1,f=-3!) USER MOD Single : A 31 ASN : amide:sc= -3.27! C(o=-3.3!,f=-5.7!) USER MOD Single : A 33 SER OG : rot 90:sc= 1.02 USER MOD Single : A 35 LYS NZ :NH3+ 162:sc=-0.000306 (180deg=-0.232) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 165:sc= -1.81 (180deg=-2.41!) USER MOD Single : A 57 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.027) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 160:sc= -1.56! USER MOD Single : A 68 SER OG : rot 75:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 162:sc= 1.39 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.04! C(o=-2!,f=-5.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 -9.210 7.180 -3.198 1.00 1.46 N ATOM 2 CA GLY A 10 -9.458 6.781 -1.793 1.00 1.08 C ATOM 3 C GLY A 10 -10.131 5.428 -1.706 1.00 0.90 C ATOM 4 O GLY A 10 -10.885 5.049 -2.598 1.00 1.21 O ATOM 0 HA2 GLY A 10 -8.513 6.753 -1.250 1.00 1.08 H new ATOM 0 HA3 GLY A 10 -10.083 7.530 -1.307 1.00 1.08 H new ATOM 8 N THR A 11 -9.861 4.701 -0.633 1.00 0.72 N ATOM 9 CA THR A 11 -10.432 3.386 -0.432 1.00 0.56 C ATOM 10 C THR A 11 -10.895 3.255 1.012 1.00 0.60 C ATOM 11 O THR A 11 -11.360 4.219 1.614 1.00 1.21 O ATOM 12 CB THR A 11 -9.402 2.284 -0.745 1.00 0.62 C ATOM 13 OG1 THR A 11 -8.243 2.860 -1.356 1.00 0.87 O ATOM 14 CG2 THR A 11 -9.999 1.221 -1.654 1.00 0.53 C ATOM 0 H THR A 11 -9.242 5.007 0.118 1.00 0.72 H new ATOM 0 HA THR A 11 -11.278 3.267 -1.109 1.00 0.56 H new ATOM 0 HB THR A 11 -9.115 1.806 0.192 1.00 0.62 H new ATOM 0 HG1 THR A 11 -8.483 3.225 -2.233 1.00 0.87 H new ATOM 0 HG21 THR A 11 -9.251 0.455 -1.859 1.00 0.53 H new ATOM 0 HG22 THR A 11 -10.860 0.765 -1.164 1.00 0.53 H new ATOM 0 HG23 THR A 11 -10.315 1.679 -2.591 1.00 0.53 H new ATOM 22 N TYR A 12 -10.741 2.071 1.567 1.00 0.44 N ATOM 23 CA TYR A 12 -11.178 1.798 2.922 1.00 0.37 C ATOM 24 C TYR A 12 -10.133 0.958 3.638 1.00 0.37 C ATOM 25 O TYR A 12 -9.031 0.756 3.125 1.00 0.41 O ATOM 26 CB TYR A 12 -12.475 1.017 2.909 1.00 0.41 C ATOM 27 CG TYR A 12 -13.397 1.356 1.773 1.00 0.47 C ATOM 28 CD1 TYR A 12 -13.308 0.694 0.569 1.00 0.57 C ATOM 29 CD2 TYR A 12 -14.344 2.353 1.912 1.00 0.56 C ATOM 30 CE1 TYR A 12 -14.145 1.018 -0.481 1.00 0.67 C ATOM 31 CE2 TYR A 12 -15.186 2.684 0.882 1.00 0.64 C ATOM 32 CZ TYR A 12 -15.108 1.947 -0.322 1.00 0.66 C ATOM 33 OH TYR A 12 -15.923 2.355 -1.358 1.00 0.79 O ATOM 0 H TYR A 12 -10.312 1.274 1.096 1.00 0.44 H new ATOM 0 HA TYR A 12 -11.321 2.750 3.433 1.00 0.37 H new ATOM 0 HB2 TYR A 12 -12.243 -0.047 2.866 1.00 0.41 H new ATOM 0 HB3 TYR A 12 -12.998 1.191 3.849 1.00 0.41 H new ATOM 0 HD1 TYR A 12 -12.574 -0.089 0.444 1.00 0.57 H new ATOM 0 HD2 TYR A 12 -14.422 2.882 2.850 1.00 0.56 H new ATOM 0 HE1 TYR A 12 -14.027 0.524 -1.434 1.00 0.67 H new ATOM 0 HE2 TYR A 12 -15.895 3.492 0.988 1.00 0.64 H new ATOM 0 HH TYR A 12 -16.552 3.032 -1.032 1.00 0.79 H new ATOM 43 N ARG A 13 -10.494 0.463 4.812 1.00 0.38 N ATOM 44 CA ARG A 13 -9.751 -0.605 5.462 1.00 0.40 C ATOM 45 C ARG A 13 -10.690 -1.424 6.341 1.00 0.54 C ATOM 46 O ARG A 13 -11.653 -0.888 6.886 1.00 0.76 O ATOM 47 CB ARG A 13 -8.594 -0.075 6.309 1.00 0.49 C ATOM 48 CG ARG A 13 -7.886 -1.196 7.053 1.00 0.61 C ATOM 49 CD ARG A 13 -6.937 -0.705 8.125 1.00 0.36 C ATOM 50 NE ARG A 13 -6.965 -1.605 9.281 1.00 0.97 N ATOM 51 CZ ARG A 13 -6.549 -1.287 10.506 1.00 0.99 C ATOM 52 NH1 ARG A 13 -6.023 -0.097 10.753 1.00 1.29 N ATOM 53 NH2 ARG A 13 -6.660 -2.175 11.486 1.00 1.67 N ATOM 0 H ARG A 13 -11.305 0.788 5.338 1.00 0.38 H new ATOM 0 HA ARG A 13 -9.326 -1.230 4.677 1.00 0.40 H new ATOM 0 HB2 ARG A 13 -7.881 0.444 5.668 1.00 0.49 H new ATOM 0 HB3 ARG A 13 -8.971 0.656 7.024 1.00 0.49 H new ATOM 0 HG2 ARG A 13 -8.632 -1.846 7.510 1.00 0.61 H new ATOM 0 HG3 ARG A 13 -7.331 -1.802 6.337 1.00 0.61 H new ATOM 0 HD2 ARG A 13 -5.925 -0.647 7.725 1.00 0.36 H new ATOM 0 HD3 ARG A 13 -7.216 0.303 8.433 1.00 0.36 H new ATOM 0 HE ARG A 13 -7.331 -2.546 9.137 1.00 0.97 H new ATOM 0 HH11 ARG A 13 -5.933 0.587 10.002 1.00 1.29 H new ATOM 0 HH12 ARG A 13 -5.708 0.136 11.695 1.00 1.29 H new ATOM 0 HH21 ARG A 13 -7.062 -3.094 11.299 1.00 1.67 H new ATOM 0 HH22 ARG A 13 -6.344 -1.939 12.427 1.00 1.67 H new ATOM 67 N GLY A 14 -10.427 -2.725 6.441 1.00 0.54 N ATOM 68 CA GLY A 14 -11.170 -3.576 7.363 1.00 0.68 C ATOM 69 C GLY A 14 -12.530 -4.016 6.848 1.00 0.77 C ATOM 70 O GLY A 14 -12.994 -5.111 7.168 1.00 1.39 O ATOM 0 H GLY A 14 -9.711 -3.209 5.899 1.00 0.54 H new ATOM 0 HA2 GLY A 14 -10.574 -4.462 7.583 1.00 0.68 H new ATOM 0 HA3 GLY A 14 -11.306 -3.042 8.303 1.00 0.68 H new ATOM 74 N ARG A 15 -13.172 -3.174 6.050 1.00 0.70 N ATOM 75 CA ARG A 15 -14.525 -3.450 5.564 1.00 0.80 C ATOM 76 C ARG A 15 -14.532 -4.433 4.397 1.00 0.91 C ATOM 77 O ARG A 15 -15.212 -4.223 3.395 1.00 1.43 O ATOM 78 CB ARG A 15 -15.234 -2.133 5.192 1.00 0.84 C ATOM 79 CG ARG A 15 -14.405 -1.185 4.338 1.00 0.83 C ATOM 80 CD ARG A 15 -14.528 -1.480 2.853 1.00 0.65 C ATOM 81 NE ARG A 15 -15.885 -1.242 2.364 1.00 0.82 N ATOM 82 CZ ARG A 15 -16.335 -1.634 1.173 1.00 1.18 C ATOM 83 NH1 ARG A 15 -15.547 -2.307 0.346 1.00 1.85 N ATOM 84 NH2 ARG A 15 -17.580 -1.358 0.815 1.00 1.29 N ATOM 0 H ARG A 15 -12.780 -2.291 5.723 1.00 0.70 H new ATOM 0 HA ARG A 15 -15.077 -3.929 6.373 1.00 0.80 H new ATOM 0 HB2 ARG A 15 -16.155 -2.370 4.659 1.00 0.84 H new ATOM 0 HB3 ARG A 15 -15.520 -1.618 6.109 1.00 0.84 H new ATOM 0 HG2 ARG A 15 -14.721 -0.159 4.529 1.00 0.83 H new ATOM 0 HG3 ARG A 15 -13.358 -1.256 4.634 1.00 0.83 H new ATOM 0 HD2 ARG A 15 -13.827 -0.856 2.299 1.00 0.65 H new ATOM 0 HD3 ARG A 15 -14.250 -2.517 2.664 1.00 0.65 H new ATOM 0 HE ARG A 15 -16.530 -0.742 2.976 1.00 0.82 H new ATOM 0 HH11 ARG A 15 -14.590 -2.528 0.620 1.00 1.85 H new ATOM 0 HH12 ARG A 15 -15.898 -2.604 -0.564 1.00 1.85 H new ATOM 0 HH21 ARG A 15 -18.192 -0.846 1.451 1.00 1.29 H new ATOM 0 HH22 ARG A 15 -17.927 -1.657 -0.096 1.00 1.29 H new ATOM 98 N GLY A 16 -13.797 -5.525 4.543 1.00 0.78 N ATOM 99 CA GLY A 16 -13.694 -6.484 3.469 1.00 0.88 C ATOM 100 C GLY A 16 -12.971 -5.893 2.289 1.00 0.76 C ATOM 101 O GLY A 16 -13.242 -6.242 1.141 1.00 1.05 O ATOM 0 H GLY A 16 -13.272 -5.762 5.385 1.00 0.78 H new ATOM 0 HA2 GLY A 16 -13.165 -7.371 3.818 1.00 0.88 H new ATOM 0 HA3 GLY A 16 -14.691 -6.805 3.166 1.00 0.88 H new ATOM 105 N VAL A 17 -12.069 -4.965 2.588 1.00 0.43 N ATOM 106 CA VAL A 17 -11.356 -4.215 1.560 1.00 0.29 C ATOM 107 C VAL A 17 -10.737 -5.085 0.498 1.00 0.25 C ATOM 108 O VAL A 17 -9.985 -6.018 0.776 1.00 0.33 O ATOM 109 CB VAL A 17 -10.271 -3.288 2.125 1.00 0.23 C ATOM 110 CG1 VAL A 17 -10.887 -1.948 2.425 1.00 0.27 C ATOM 111 CG2 VAL A 17 -9.611 -3.891 3.358 1.00 0.26 C ATOM 0 H VAL A 17 -11.813 -4.712 3.542 1.00 0.43 H new ATOM 0 HA VAL A 17 -12.138 -3.609 1.103 1.00 0.29 H new ATOM 0 HB VAL A 17 -9.482 -3.161 1.384 1.00 0.23 H new ATOM 0 HG11 VAL A 17 -10.126 -1.280 2.827 1.00 0.27 H new ATOM 0 HG12 VAL A 17 -11.296 -1.522 1.509 1.00 0.27 H new ATOM 0 HG13 VAL A 17 -11.686 -2.070 3.156 1.00 0.27 H new ATOM 0 HG21 VAL A 17 -8.848 -3.209 3.732 1.00 0.26 H new ATOM 0 HG22 VAL A 17 -10.363 -4.054 4.130 1.00 0.26 H new ATOM 0 HG23 VAL A 17 -9.149 -4.843 3.095 1.00 0.26 H new ATOM 121 N ALA A 18 -11.067 -4.740 -0.722 1.00 0.25 N ATOM 122 CA ALA A 18 -10.491 -5.379 -1.881 1.00 0.27 C ATOM 123 C ALA A 18 -9.492 -4.435 -2.510 1.00 0.23 C ATOM 124 O ALA A 18 -8.680 -4.838 -3.347 1.00 0.25 O ATOM 125 CB ALA A 18 -11.568 -5.776 -2.879 1.00 0.35 C ATOM 0 H ALA A 18 -11.743 -4.008 -0.940 1.00 0.25 H new ATOM 0 HA ALA A 18 -9.984 -6.294 -1.575 1.00 0.27 H new ATOM 0 HB1 ALA A 18 -11.106 -6.255 -3.742 1.00 0.35 H new ATOM 0 HB2 ALA A 18 -12.263 -6.471 -2.407 1.00 0.35 H new ATOM 0 HB3 ALA A 18 -12.109 -4.887 -3.204 1.00 0.35 H new ATOM 131 N LEU A 19 -9.571 -3.161 -2.089 1.00 0.21 N ATOM 132 CA LEU A 19 -8.629 -2.138 -2.508 1.00 0.20 C ATOM 133 C LEU A 19 -8.741 -1.950 -4.036 1.00 0.25 C ATOM 134 O LEU A 19 -9.548 -2.624 -4.675 1.00 0.49 O ATOM 135 CB LEU A 19 -7.250 -2.590 -1.997 1.00 0.20 C ATOM 136 CG LEU A 19 -6.053 -1.670 -2.118 1.00 0.28 C ATOM 137 CD1 LEU A 19 -5.493 -1.672 -3.500 1.00 0.99 C ATOM 138 CD2 LEU A 19 -6.377 -0.270 -1.657 1.00 1.14 C ATOM 0 H LEU A 19 -10.292 -2.824 -1.451 1.00 0.21 H new ATOM 0 HA LEU A 19 -8.826 -1.150 -2.092 1.00 0.20 H new ATOM 0 HB2 LEU A 19 -7.362 -2.837 -0.941 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -7.000 -3.515 -2.517 1.00 0.20 H new ATOM 0 HG LEU A 19 -5.282 -2.061 -1.454 1.00 0.28 H new ATOM 0 HD11 LEU A 19 -4.636 -1.000 -3.546 1.00 0.99 H new ATOM 0 HD12 LEU A 19 -5.177 -2.682 -3.763 1.00 0.99 H new ATOM 0 HD13 LEU A 19 -6.256 -1.336 -4.202 1.00 0.99 H new ATOM 0 HD21 LEU A 19 -5.494 0.360 -1.759 1.00 1.14 H new ATOM 0 HD22 LEU A 19 -7.185 0.136 -2.266 1.00 1.14 H new ATOM 0 HD23 LEU A 19 -6.687 -0.294 -0.612 1.00 1.14 H new ATOM 150 N THR A 20 -8.023 -1.006 -4.626 1.00 0.37 N ATOM 151 CA THR A 20 -7.975 -0.930 -6.075 1.00 0.37 C ATOM 152 C THR A 20 -7.346 -2.211 -6.645 1.00 0.35 C ATOM 153 O THR A 20 -6.862 -3.065 -5.896 1.00 0.44 O ATOM 154 CB THR A 20 -7.218 0.317 -6.591 1.00 0.48 C ATOM 155 OG1 THR A 20 -7.328 0.416 -8.017 1.00 0.88 O ATOM 156 CG2 THR A 20 -5.752 0.281 -6.200 1.00 0.45 C ATOM 0 H THR A 20 -7.477 -0.297 -4.136 1.00 0.37 H new ATOM 0 HA THR A 20 -9.003 -0.835 -6.424 1.00 0.37 H new ATOM 0 HB THR A 20 -7.677 1.190 -6.128 1.00 0.48 H new ATOM 0 HG1 THR A 20 -6.846 1.210 -8.328 1.00 0.88 H new ATOM 0 HG21 THR A 20 -5.252 1.172 -6.579 1.00 0.45 H new ATOM 0 HG22 THR A 20 -5.666 0.251 -5.114 1.00 0.45 H new ATOM 0 HG23 THR A 20 -5.284 -0.606 -6.626 1.00 0.45 H new ATOM 164 N ASP A 21 -7.333 -2.339 -7.956 1.00 0.35 N ATOM 165 CA ASP A 21 -6.988 -3.606 -8.591 1.00 0.37 C ATOM 166 C ASP A 21 -5.529 -3.998 -8.361 1.00 0.32 C ATOM 167 O ASP A 21 -5.252 -5.068 -7.816 1.00 0.37 O ATOM 168 CB ASP A 21 -7.294 -3.546 -10.089 1.00 0.44 C ATOM 169 CG ASP A 21 -7.010 -4.856 -10.795 1.00 1.28 C ATOM 170 OD1 ASP A 21 -7.519 -5.903 -10.343 1.00 1.65 O ATOM 171 OD2 ASP A 21 -6.259 -4.848 -11.792 1.00 2.15 O ATOM 0 H ASP A 21 -7.556 -1.586 -8.606 1.00 0.35 H new ATOM 0 HA ASP A 21 -7.602 -4.377 -8.125 1.00 0.37 H new ATOM 0 HB2 ASP A 21 -8.341 -3.280 -10.232 1.00 0.44 H new ATOM 0 HB3 ASP A 21 -6.699 -2.755 -10.546 1.00 0.44 H new ATOM 176 N ASP A 22 -4.605 -3.132 -8.755 1.00 0.29 N ATOM 177 CA ASP A 22 -3.181 -3.462 -8.701 1.00 0.28 C ATOM 178 C ASP A 22 -2.678 -3.574 -7.267 1.00 0.22 C ATOM 179 O ASP A 22 -2.256 -4.642 -6.842 1.00 0.22 O ATOM 180 CB ASP A 22 -2.345 -2.412 -9.438 1.00 0.38 C ATOM 181 CG ASP A 22 -2.585 -2.390 -10.932 1.00 1.06 C ATOM 182 OD1 ASP A 22 -3.537 -1.713 -11.380 1.00 2.05 O ATOM 183 OD2 ASP A 22 -1.835 -3.066 -11.668 1.00 1.01 O ATOM 0 H ASP A 22 -4.811 -2.200 -9.114 1.00 0.29 H new ATOM 0 HA ASP A 22 -3.068 -4.430 -9.189 1.00 0.28 H new ATOM 0 HB2 ASP A 22 -2.569 -1.427 -9.027 1.00 0.38 H new ATOM 0 HB3 ASP A 22 -1.288 -2.603 -9.250 1.00 0.38 H new ATOM 188 N GLU A 23 -2.735 -2.461 -6.543 1.00 0.23 N ATOM 189 CA GLU A 23 -2.129 -2.346 -5.209 1.00 0.24 C ATOM 190 C GLU A 23 -2.424 -3.528 -4.277 1.00 0.17 C ATOM 191 O GLU A 23 -1.568 -3.915 -3.496 1.00 0.17 O ATOM 192 CB GLU A 23 -2.550 -1.065 -4.522 1.00 0.34 C ATOM 193 CG GLU A 23 -2.346 0.168 -5.378 1.00 0.60 C ATOM 194 CD GLU A 23 -1.032 0.146 -6.131 1.00 1.17 C ATOM 195 OE1 GLU A 23 0.025 0.261 -5.480 1.00 1.66 O ATOM 196 OE2 GLU A 23 -1.050 0.006 -7.369 1.00 2.01 O ATOM 0 H GLU A 23 -3.201 -1.610 -6.859 1.00 0.23 H new ATOM 0 HA GLU A 23 -1.055 -2.343 -5.396 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -3.602 -1.137 -4.246 1.00 0.34 H new ATOM 0 HB3 GLU A 23 -1.985 -0.954 -3.597 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -3.167 0.251 -6.090 1.00 0.60 H new ATOM 0 HG3 GLU A 23 -2.383 1.055 -4.745 1.00 0.60 H new ATOM 203 N TYR A 24 -3.624 -4.094 -4.341 1.00 0.13 N ATOM 204 CA TYR A 24 -3.962 -5.223 -3.473 1.00 0.12 C ATOM 205 C TYR A 24 -3.075 -6.414 -3.827 1.00 0.12 C ATOM 206 O TYR A 24 -2.406 -7.000 -2.976 1.00 0.14 O ATOM 207 CB TYR A 24 -5.444 -5.581 -3.632 1.00 0.12 C ATOM 208 CG TYR A 24 -5.948 -6.652 -2.670 1.00 0.11 C ATOM 209 CD1 TYR A 24 -5.664 -8.010 -2.862 1.00 0.15 C ATOM 210 CD2 TYR A 24 -6.700 -6.299 -1.554 1.00 0.11 C ATOM 211 CE1 TYR A 24 -6.121 -8.965 -1.968 1.00 0.17 C ATOM 212 CE2 TYR A 24 -7.157 -7.250 -0.661 1.00 0.14 C ATOM 213 CZ TYR A 24 -6.873 -8.644 -0.948 1.00 0.15 C ATOM 214 OH TYR A 24 -7.318 -9.533 0.016 1.00 0.22 O ATOM 0 H TYR A 24 -4.369 -3.799 -4.972 1.00 0.13 H new ATOM 0 HA TYR A 24 -3.788 -4.951 -2.432 1.00 0.12 H new ATOM 0 HB2 TYR A 24 -6.039 -4.678 -3.493 1.00 0.12 H new ATOM 0 HB3 TYR A 24 -5.614 -5.921 -4.654 1.00 0.12 H new ATOM 0 HD1 TYR A 24 -5.081 -8.317 -3.718 1.00 0.15 H new ATOM 0 HD2 TYR A 24 -6.932 -5.258 -1.381 1.00 0.11 H new ATOM 0 HE1 TYR A 24 -5.849 -10.000 -2.118 1.00 0.17 H new ATOM 0 HE2 TYR A 24 -7.708 -6.965 0.223 1.00 0.14 H new ATOM 0 HH TYR A 24 -7.863 -9.055 0.675 1.00 0.22 H new ATOM 224 N ASP A 25 -3.089 -6.756 -5.100 1.00 0.14 N ATOM 225 CA ASP A 25 -2.221 -7.800 -5.626 1.00 0.18 C ATOM 226 C ASP A 25 -0.750 -7.449 -5.384 1.00 0.16 C ATOM 227 O ASP A 25 0.069 -8.301 -5.034 1.00 0.17 O ATOM 228 CB ASP A 25 -2.473 -7.992 -7.117 1.00 0.25 C ATOM 229 CG ASP A 25 -1.838 -9.258 -7.644 1.00 1.04 C ATOM 230 OD1 ASP A 25 -2.295 -10.351 -7.259 1.00 1.80 O ATOM 231 OD2 ASP A 25 -0.884 -9.169 -8.446 1.00 1.58 O ATOM 0 H ASP A 25 -3.696 -6.324 -5.797 1.00 0.14 H new ATOM 0 HA ASP A 25 -2.447 -8.731 -5.105 1.00 0.18 H new ATOM 0 HB2 ASP A 25 -3.547 -8.022 -7.302 1.00 0.25 H new ATOM 0 HB3 ASP A 25 -2.079 -7.135 -7.664 1.00 0.25 H new ATOM 236 N GLU A 26 -0.435 -6.176 -5.545 1.00 0.15 N ATOM 237 CA GLU A 26 0.918 -5.682 -5.338 1.00 0.15 C ATOM 238 C GLU A 26 1.294 -5.682 -3.858 1.00 0.12 C ATOM 239 O GLU A 26 2.471 -5.627 -3.513 1.00 0.12 O ATOM 240 CB GLU A 26 1.059 -4.280 -5.918 1.00 0.22 C ATOM 241 CG GLU A 26 0.922 -4.231 -7.430 1.00 0.50 C ATOM 242 CD GLU A 26 1.979 -5.056 -8.136 1.00 0.65 C ATOM 243 OE1 GLU A 26 1.766 -6.271 -8.323 1.00 1.27 O ATOM 244 OE2 GLU A 26 3.022 -4.485 -8.524 1.00 0.59 O ATOM 0 H GLU A 26 -1.104 -5.458 -5.821 1.00 0.15 H new ATOM 0 HA GLU A 26 1.603 -6.354 -5.855 1.00 0.15 H new ATOM 0 HB2 GLU A 26 0.303 -3.634 -5.472 1.00 0.22 H new ATOM 0 HB3 GLU A 26 2.031 -3.875 -5.636 1.00 0.22 H new ATOM 0 HG2 GLU A 26 -0.066 -4.593 -7.714 1.00 0.50 H new ATOM 0 HG3 GLU A 26 0.991 -3.196 -7.764 1.00 0.50 H new ATOM 251 N TRP A 27 0.295 -5.730 -2.986 1.00 0.11 N ATOM 252 CA TRP A 27 0.529 -5.889 -1.559 1.00 0.10 C ATOM 253 C TRP A 27 1.123 -7.256 -1.287 1.00 0.10 C ATOM 254 O TRP A 27 1.981 -7.413 -0.416 1.00 0.11 O ATOM 255 CB TRP A 27 -0.776 -5.701 -0.781 1.00 0.10 C ATOM 256 CG TRP A 27 -0.891 -6.538 0.459 1.00 0.10 C ATOM 257 CD1 TRP A 27 -0.279 -6.340 1.671 1.00 0.10 C ATOM 258 CD2 TRP A 27 -1.691 -7.714 0.604 1.00 0.12 C ATOM 259 NE1 TRP A 27 -0.660 -7.320 2.548 1.00 0.11 N ATOM 260 CE2 TRP A 27 -1.528 -8.169 1.920 1.00 0.12 C ATOM 261 CE3 TRP A 27 -2.536 -8.423 -0.253 1.00 0.13 C ATOM 262 CZ2 TRP A 27 -2.178 -9.293 2.400 1.00 0.15 C ATOM 263 CZ3 TRP A 27 -3.181 -9.545 0.225 1.00 0.16 C ATOM 264 CH2 TRP A 27 -3.002 -9.969 1.546 1.00 0.16 C ATOM 0 H TRP A 27 -0.689 -5.661 -3.245 1.00 0.11 H new ATOM 0 HA TRP A 27 1.235 -5.128 -1.226 1.00 0.10 H new ATOM 0 HB2 TRP A 27 -0.871 -4.651 -0.505 1.00 0.10 H new ATOM 0 HB3 TRP A 27 -1.613 -5.934 -1.439 1.00 0.10 H new ATOM 0 HD1 TRP A 27 0.401 -5.533 1.899 1.00 0.10 H new ATOM 0 HE1 TRP A 27 -0.346 -7.403 3.515 1.00 0.11 H new ATOM 0 HE3 TRP A 27 -2.682 -8.098 -1.273 1.00 0.13 H new ATOM 0 HZ2 TRP A 27 -2.038 -9.625 3.418 1.00 0.15 H new ATOM 0 HZ3 TRP A 27 -3.833 -10.104 -0.430 1.00 0.16 H new ATOM 0 HH2 TRP A 27 -3.525 -10.847 1.897 1.00 0.16 H new ATOM 275 N ARG A 28 0.662 -8.238 -2.045 1.00 0.12 N ATOM 276 CA ARG A 28 1.217 -9.576 -1.972 1.00 0.13 C ATOM 277 C ARG A 28 2.716 -9.522 -2.272 1.00 0.13 C ATOM 278 O ARG A 28 3.521 -10.183 -1.613 1.00 0.15 O ATOM 279 CB ARG A 28 0.500 -10.492 -2.952 1.00 0.16 C ATOM 280 CG ARG A 28 -0.996 -10.530 -2.727 1.00 0.19 C ATOM 281 CD ARG A 28 -1.443 -11.806 -2.031 1.00 0.53 C ATOM 282 NE ARG A 28 -0.819 -11.984 -0.721 1.00 1.32 N ATOM 283 CZ ARG A 28 -1.351 -12.708 0.264 1.00 1.90 C ATOM 284 NH1 ARG A 28 -2.505 -13.338 0.079 1.00 1.88 N ATOM 285 NH2 ARG A 28 -0.722 -12.809 1.428 1.00 2.63 N ATOM 0 H ARG A 28 -0.097 -8.131 -2.718 1.00 0.12 H new ATOM 0 HA ARG A 28 1.075 -9.977 -0.968 1.00 0.13 H new ATOM 0 HB2 ARG A 28 0.702 -10.158 -3.970 1.00 0.16 H new ATOM 0 HB3 ARG A 28 0.903 -11.501 -2.862 1.00 0.16 H new ATOM 0 HG2 ARG A 28 -1.293 -9.669 -2.128 1.00 0.19 H new ATOM 0 HG3 ARG A 28 -1.508 -10.443 -3.686 1.00 0.19 H new ATOM 0 HD2 ARG A 28 -2.527 -11.790 -1.913 1.00 0.53 H new ATOM 0 HD3 ARG A 28 -1.203 -12.662 -2.662 1.00 0.53 H new ATOM 0 HE ARG A 28 0.077 -11.527 -0.550 1.00 1.32 H new ATOM 0 HH11 ARG A 28 -2.986 -13.269 -0.818 1.00 1.88 H new ATOM 0 HH12 ARG A 28 -2.911 -13.892 0.834 1.00 1.88 H new ATOM 0 HH21 ARG A 28 0.169 -12.333 1.569 1.00 2.63 H new ATOM 0 HH22 ARG A 28 -1.129 -13.363 2.181 1.00 2.63 H new ATOM 299 N GLU A 29 3.086 -8.702 -3.259 1.00 0.13 N ATOM 300 CA GLU A 29 4.497 -8.468 -3.570 1.00 0.14 C ATOM 301 C GLU A 29 5.162 -7.629 -2.476 1.00 0.12 C ATOM 302 O GLU A 29 6.305 -7.879 -2.107 1.00 0.13 O ATOM 303 CB GLU A 29 4.659 -7.772 -4.924 1.00 0.17 C ATOM 304 CG GLU A 29 6.116 -7.563 -5.315 1.00 0.22 C ATOM 305 CD GLU A 29 6.282 -6.885 -6.658 1.00 0.62 C ATOM 306 OE1 GLU A 29 5.903 -7.486 -7.684 1.00 0.84 O ATOM 307 OE2 GLU A 29 6.811 -5.755 -6.700 1.00 0.97 O ATOM 0 H GLU A 29 2.432 -8.192 -3.853 1.00 0.13 H new ATOM 0 HA GLU A 29 4.986 -9.441 -3.619 1.00 0.14 H new ATOM 0 HB2 GLU A 29 4.164 -8.365 -5.693 1.00 0.17 H new ATOM 0 HB3 GLU A 29 4.155 -6.806 -4.892 1.00 0.17 H new ATOM 0 HG2 GLU A 29 6.608 -6.963 -4.549 1.00 0.22 H new ATOM 0 HG3 GLU A 29 6.621 -8.529 -5.338 1.00 0.22 H new ATOM 314 N HIS A 30 4.449 -6.616 -1.989 1.00 0.12 N ATOM 315 CA HIS A 30 4.912 -5.802 -0.861 1.00 0.11 C ATOM 316 C HIS A 30 5.347 -6.696 0.292 1.00 0.12 C ATOM 317 O HIS A 30 6.363 -6.437 0.940 1.00 0.13 O ATOM 318 CB HIS A 30 3.800 -4.841 -0.402 1.00 0.11 C ATOM 319 CG HIS A 30 4.131 -4.031 0.827 1.00 0.11 C ATOM 320 ND1 HIS A 30 3.198 -3.708 1.789 1.00 0.11 N ATOM 321 CD2 HIS A 30 5.287 -3.456 1.231 1.00 0.14 C ATOM 322 CE1 HIS A 30 3.769 -2.969 2.727 1.00 0.11 C ATOM 323 NE2 HIS A 30 5.035 -2.804 2.410 1.00 0.13 N ATOM 0 H HIS A 30 3.541 -6.336 -2.360 1.00 0.12 H new ATOM 0 HA HIS A 30 5.769 -5.212 -1.187 1.00 0.11 H new ATOM 0 HB2 HIS A 30 3.570 -4.157 -1.219 1.00 0.11 H new ATOM 0 HB3 HIS A 30 2.897 -5.420 -0.206 1.00 0.11 H new ATOM 0 HD2 HIS A 30 6.236 -3.502 0.718 1.00 0.14 H new ATOM 0 HE1 HIS A 30 3.279 -2.570 3.603 1.00 0.11 H new ATOM 0 HE2 HIS A 30 5.718 -2.276 2.953 1.00 0.13 H new ATOM 332 N ASN A 31 4.560 -7.735 0.539 1.00 0.14 N ATOM 333 CA ASN A 31 4.868 -8.729 1.557 1.00 0.17 C ATOM 334 C ASN A 31 6.243 -9.334 1.314 1.00 0.16 C ATOM 335 O ASN A 31 7.071 -9.427 2.220 1.00 0.18 O ATOM 336 CB ASN A 31 3.799 -9.821 1.546 1.00 0.23 C ATOM 337 CG ASN A 31 3.980 -10.831 2.657 1.00 0.88 C ATOM 338 OD1 ASN A 31 3.505 -10.628 3.772 1.00 1.78 O ATOM 339 ND2 ASN A 31 4.635 -11.939 2.357 1.00 1.54 N ATOM 0 H ASN A 31 3.689 -7.912 0.038 1.00 0.14 H new ATOM 0 HA ASN A 31 4.876 -8.245 2.534 1.00 0.17 H new ATOM 0 HB2 ASN A 31 2.815 -9.361 1.637 1.00 0.23 H new ATOM 0 HB3 ASN A 31 3.823 -10.336 0.586 1.00 0.23 H new ATOM 0 HD21 ASN A 31 4.761 -12.664 3.063 1.00 1.54 H new ATOM 0 HD22 ASN A 31 5.014 -12.069 1.419 1.00 1.54 H new ATOM 346 N ALA A 32 6.476 -9.722 0.073 1.00 0.17 N ATOM 347 CA ALA A 32 7.746 -10.298 -0.335 1.00 0.18 C ATOM 348 C ALA A 32 8.878 -9.275 -0.277 1.00 0.16 C ATOM 349 O ALA A 32 9.858 -9.455 0.446 1.00 0.19 O ATOM 350 CB ALA A 32 7.626 -10.853 -1.741 1.00 0.19 C ATOM 0 H ALA A 32 5.792 -9.647 -0.680 1.00 0.17 H new ATOM 0 HA ALA A 32 7.989 -11.100 0.362 1.00 0.18 H new ATOM 0 HB1 ALA A 32 8.580 -11.284 -2.045 1.00 0.19 H new ATOM 0 HB2 ALA A 32 6.856 -11.624 -1.763 1.00 0.19 H new ATOM 0 HB3 ALA A 32 7.356 -10.050 -2.427 1.00 0.19 H new ATOM 356 N SER A 33 8.727 -8.199 -1.040 1.00 0.13 N ATOM 357 CA SER A 33 9.792 -7.221 -1.234 1.00 0.14 C ATOM 358 C SER A 33 10.246 -6.555 0.069 1.00 0.18 C ATOM 359 O SER A 33 11.430 -6.265 0.234 1.00 0.27 O ATOM 360 CB SER A 33 9.351 -6.161 -2.250 1.00 0.13 C ATOM 361 OG SER A 33 10.393 -5.239 -2.509 1.00 0.17 O ATOM 0 H SER A 33 7.866 -7.980 -1.541 1.00 0.13 H new ATOM 0 HA SER A 33 10.655 -7.766 -1.617 1.00 0.14 H new ATOM 0 HB2 SER A 33 9.051 -6.646 -3.179 1.00 0.13 H new ATOM 0 HB3 SER A 33 8.478 -5.630 -1.871 1.00 0.13 H new ATOM 0 HG SER A 33 10.937 -5.562 -3.258 1.00 0.17 H new ATOM 367 N ARG A 34 9.329 -6.315 0.998 1.00 0.19 N ATOM 368 CA ARG A 34 9.698 -5.656 2.249 1.00 0.23 C ATOM 369 C ARG A 34 10.010 -6.665 3.347 1.00 0.26 C ATOM 370 O ARG A 34 10.278 -6.284 4.489 1.00 0.31 O ATOM 371 CB ARG A 34 8.620 -4.672 2.689 1.00 0.22 C ATOM 372 CG ARG A 34 8.553 -3.431 1.810 1.00 0.23 C ATOM 373 CD ARG A 34 9.863 -2.656 1.804 1.00 0.27 C ATOM 374 NE ARG A 34 10.243 -2.189 3.134 1.00 0.34 N ATOM 375 CZ ARG A 34 11.381 -1.548 3.400 1.00 0.71 C ATOM 376 NH1 ARG A 34 12.263 -1.312 2.435 1.00 1.04 N ATOM 377 NH2 ARG A 34 11.639 -1.146 4.634 1.00 0.86 N ATOM 0 H ARG A 34 8.342 -6.560 0.915 1.00 0.19 H new ATOM 0 HA ARG A 34 10.611 -5.090 2.064 1.00 0.23 H new ATOM 0 HB2 ARG A 34 7.652 -5.172 2.676 1.00 0.22 H new ATOM 0 HB3 ARG A 34 8.809 -4.371 3.719 1.00 0.22 H new ATOM 0 HG2 ARG A 34 8.302 -3.724 0.791 1.00 0.23 H new ATOM 0 HG3 ARG A 34 7.751 -2.782 2.162 1.00 0.23 H new ATOM 0 HD2 ARG A 34 10.655 -3.290 1.405 1.00 0.27 H new ATOM 0 HD3 ARG A 34 9.772 -1.801 1.134 1.00 0.27 H new ATOM 0 HE ARG A 34 9.599 -2.364 3.906 1.00 0.34 H new ATOM 0 HH11 ARG A 34 12.072 -1.622 1.482 1.00 1.04 H new ATOM 0 HH12 ARG A 34 13.131 -0.821 2.647 1.00 1.04 H new ATOM 0 HH21 ARG A 34 10.967 -1.327 5.380 1.00 0.86 H new ATOM 0 HH22 ARG A 34 12.509 -0.655 4.839 1.00 0.86 H new ATOM 391 N LYS A 35 9.981 -7.949 2.982 1.00 0.26 N ATOM 392 CA LYS A 35 10.384 -9.042 3.874 1.00 0.30 C ATOM 393 C LYS A 35 9.584 -9.035 5.173 1.00 0.34 C ATOM 394 O LYS A 35 10.081 -9.430 6.231 1.00 0.58 O ATOM 395 CB LYS A 35 11.889 -8.991 4.172 1.00 0.33 C ATOM 396 CG LYS A 35 12.771 -9.522 3.045 1.00 0.54 C ATOM 397 CD LYS A 35 12.737 -8.627 1.815 1.00 1.10 C ATOM 398 CE LYS A 35 13.540 -9.213 0.662 1.00 0.95 C ATOM 399 NZ LYS A 35 12.986 -10.513 0.194 1.00 1.27 N ATOM 0 H LYS A 35 9.678 -8.262 2.060 1.00 0.26 H new ATOM 0 HA LYS A 35 10.168 -9.975 3.353 1.00 0.30 H new ATOM 0 HB2 LYS A 35 12.171 -7.959 4.383 1.00 0.33 H new ATOM 0 HB3 LYS A 35 12.088 -9.567 5.076 1.00 0.33 H new ATOM 0 HG2 LYS A 35 13.798 -9.609 3.400 1.00 0.54 H new ATOM 0 HG3 LYS A 35 12.443 -10.525 2.771 1.00 0.54 H new ATOM 0 HD2 LYS A 35 11.704 -8.482 1.500 1.00 1.10 H new ATOM 0 HD3 LYS A 35 13.133 -7.644 2.070 1.00 1.10 H new ATOM 0 HE2 LYS A 35 13.551 -8.505 -0.167 1.00 0.95 H new ATOM 0 HE3 LYS A 35 14.574 -9.353 0.976 1.00 0.95 H new ATOM 0 HZ1 LYS A 35 13.353 -10.725 -0.756 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 13.269 -11.268 0.851 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 11.948 -10.456 0.159 1.00 1.27 H new ATOM 413 N LEU A 36 8.351 -8.573 5.082 1.00 0.26 N ATOM 414 CA LEU A 36 7.438 -8.558 6.206 1.00 0.31 C ATOM 415 C LEU A 36 6.331 -9.571 5.972 1.00 0.34 C ATOM 416 O LEU A 36 6.415 -10.403 5.066 1.00 0.36 O ATOM 417 CB LEU A 36 6.850 -7.142 6.389 1.00 0.32 C ATOM 418 CG LEU A 36 6.780 -6.303 5.116 1.00 0.26 C ATOM 419 CD1 LEU A 36 5.850 -6.942 4.111 1.00 0.26 C ATOM 420 CD2 LEU A 36 6.325 -4.892 5.423 1.00 0.30 C ATOM 0 H LEU A 36 7.954 -8.196 4.221 1.00 0.26 H new ATOM 0 HA LEU A 36 7.975 -8.827 7.116 1.00 0.31 H new ATOM 0 HB2 LEU A 36 5.845 -7.233 6.802 1.00 0.32 H new ATOM 0 HB3 LEU A 36 7.450 -6.608 7.126 1.00 0.32 H new ATOM 0 HG LEU A 36 7.781 -6.256 4.688 1.00 0.26 H new ATOM 0 HD11 LEU A 36 5.812 -6.330 3.210 1.00 0.26 H new ATOM 0 HD12 LEU A 36 6.215 -7.937 3.859 1.00 0.26 H new ATOM 0 HD13 LEU A 36 4.850 -7.020 4.539 1.00 0.26 H new ATOM 0 HD21 LEU A 36 6.283 -4.314 4.500 1.00 0.30 H new ATOM 0 HD22 LEU A 36 5.335 -4.920 5.879 1.00 0.30 H new ATOM 0 HD23 LEU A 36 7.029 -4.425 6.112 1.00 0.30 H new ATOM 432 N ASP A 37 5.310 -9.502 6.791 1.00 0.41 N ATOM 433 CA ASP A 37 4.149 -10.362 6.653 1.00 0.47 C ATOM 434 C ASP A 37 2.935 -9.572 7.075 1.00 0.51 C ATOM 435 O ASP A 37 2.227 -9.916 8.022 1.00 1.00 O ATOM 436 CB ASP A 37 4.284 -11.628 7.500 1.00 0.54 C ATOM 437 CG ASP A 37 3.259 -12.678 7.119 1.00 0.68 C ATOM 438 OD1 ASP A 37 3.510 -13.432 6.157 1.00 0.73 O ATOM 439 OD2 ASP A 37 2.203 -12.769 7.779 1.00 0.85 O ATOM 0 H ASP A 37 5.256 -8.850 7.573 1.00 0.41 H new ATOM 0 HA ASP A 37 4.056 -10.684 5.616 1.00 0.47 H new ATOM 0 HB2 ASP A 37 5.286 -12.039 7.380 1.00 0.54 H new ATOM 0 HB3 ASP A 37 4.168 -11.373 8.554 1.00 0.54 H new ATOM 444 N LEU A 38 2.734 -8.481 6.380 1.00 0.26 N ATOM 445 CA LEU A 38 1.707 -7.528 6.723 1.00 0.26 C ATOM 446 C LEU A 38 0.394 -7.913 6.055 1.00 0.26 C ATOM 447 O LEU A 38 0.390 -8.521 4.983 1.00 0.32 O ATOM 448 CB LEU A 38 2.145 -6.136 6.272 1.00 0.32 C ATOM 449 CG LEU A 38 1.698 -5.737 4.888 1.00 0.25 C ATOM 450 CD1 LEU A 38 1.715 -4.231 4.773 1.00 0.26 C ATOM 451 CD2 LEU A 38 2.585 -6.378 3.834 1.00 0.34 C ATOM 0 H LEU A 38 3.280 -8.227 5.557 1.00 0.26 H new ATOM 0 HA LEU A 38 1.555 -7.526 7.802 1.00 0.26 H new ATOM 0 HB2 LEU A 38 1.763 -5.404 6.984 1.00 0.32 H new ATOM 0 HB3 LEU A 38 3.233 -6.084 6.314 1.00 0.32 H new ATOM 0 HG LEU A 38 0.681 -6.091 4.719 1.00 0.25 H new ATOM 0 HD11 LEU A 38 1.392 -3.939 3.774 1.00 0.26 H new ATOM 0 HD12 LEU A 38 1.039 -3.802 5.513 1.00 0.26 H new ATOM 0 HD13 LEU A 38 2.726 -3.864 4.950 1.00 0.26 H new ATOM 0 HD21 LEU A 38 2.246 -6.078 2.842 1.00 0.34 H new ATOM 0 HD22 LEU A 38 3.615 -6.053 3.979 1.00 0.34 H new ATOM 0 HD23 LEU A 38 2.530 -7.463 3.923 1.00 0.34 H new ATOM 463 N SER A 39 -0.712 -7.568 6.684 1.00 0.22 N ATOM 464 CA SER A 39 -2.011 -7.835 6.103 1.00 0.21 C ATOM 465 C SER A 39 -2.412 -6.700 5.174 1.00 0.17 C ATOM 466 O SER A 39 -1.762 -5.650 5.166 1.00 0.25 O ATOM 467 CB SER A 39 -3.059 -8.035 7.193 1.00 0.29 C ATOM 468 OG SER A 39 -2.673 -9.067 8.083 1.00 0.64 O ATOM 0 H SER A 39 -0.737 -7.105 7.592 1.00 0.22 H new ATOM 0 HA SER A 39 -1.949 -8.755 5.522 1.00 0.21 H new ATOM 0 HB2 SER A 39 -3.197 -7.106 7.746 1.00 0.29 H new ATOM 0 HB3 SER A 39 -4.019 -8.281 6.739 1.00 0.29 H new ATOM 0 HG SER A 39 -3.359 -9.176 8.774 1.00 0.64 H new ATOM 474 N VAL A 40 -3.460 -6.899 4.393 1.00 0.18 N ATOM 475 CA VAL A 40 -3.826 -5.935 3.379 1.00 0.15 C ATOM 476 C VAL A 40 -4.185 -4.603 4.003 1.00 0.15 C ATOM 477 O VAL A 40 -3.733 -3.566 3.540 1.00 0.13 O ATOM 478 CB VAL A 40 -4.976 -6.464 2.488 1.00 0.17 C ATOM 479 CG1 VAL A 40 -6.353 -5.928 2.883 1.00 0.19 C ATOM 480 CG2 VAL A 40 -4.667 -6.147 1.055 1.00 0.17 C ATOM 0 H VAL A 40 -4.068 -7.717 4.444 1.00 0.18 H new ATOM 0 HA VAL A 40 -2.958 -5.782 2.737 1.00 0.15 H new ATOM 0 HB VAL A 40 -5.034 -7.543 2.633 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -7.109 -6.341 2.216 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -6.576 -6.220 3.909 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -6.356 -4.841 2.806 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -5.472 -6.516 0.419 1.00 0.17 H new ATOM 0 HG22 VAL A 40 -4.574 -5.068 0.933 1.00 0.17 H new ATOM 0 HG23 VAL A 40 -3.731 -6.627 0.770 1.00 0.17 H new ATOM 490 N GLU A 41 -4.964 -4.656 5.070 1.00 0.17 N ATOM 491 CA GLU A 41 -5.391 -3.460 5.773 1.00 0.17 C ATOM 492 C GLU A 41 -4.213 -2.524 6.015 1.00 0.14 C ATOM 493 O GLU A 41 -4.268 -1.342 5.671 1.00 0.14 O ATOM 494 CB GLU A 41 -6.007 -3.841 7.108 1.00 0.24 C ATOM 495 CG GLU A 41 -7.231 -4.726 7.001 1.00 0.30 C ATOM 496 CD GLU A 41 -7.837 -5.004 8.355 1.00 0.46 C ATOM 497 OE1 GLU A 41 -8.263 -4.044 9.027 1.00 0.82 O ATOM 498 OE2 GLU A 41 -7.911 -6.189 8.740 1.00 0.65 O ATOM 0 H GLU A 41 -5.316 -5.525 5.471 1.00 0.17 H new ATOM 0 HA GLU A 41 -6.128 -2.947 5.156 1.00 0.17 H new ATOM 0 HB2 GLU A 41 -5.255 -4.352 7.709 1.00 0.24 H new ATOM 0 HB3 GLU A 41 -6.277 -2.931 7.643 1.00 0.24 H new ATOM 0 HG2 GLU A 41 -7.972 -4.247 6.362 1.00 0.30 H new ATOM 0 HG3 GLU A 41 -6.959 -5.667 6.523 1.00 0.30 H new ATOM 505 N ASP A 42 -3.161 -3.069 6.615 1.00 0.15 N ATOM 506 CA ASP A 42 -1.932 -2.333 6.852 1.00 0.16 C ATOM 507 C ASP A 42 -1.410 -1.696 5.570 1.00 0.13 C ATOM 508 O ASP A 42 -1.058 -0.517 5.555 1.00 0.16 O ATOM 509 CB ASP A 42 -0.862 -3.264 7.425 1.00 0.23 C ATOM 510 CG ASP A 42 -1.246 -3.858 8.762 1.00 0.43 C ATOM 511 OD1 ASP A 42 -2.033 -4.827 8.779 1.00 0.57 O ATOM 512 OD2 ASP A 42 -0.780 -3.348 9.803 1.00 0.66 O ATOM 0 H ASP A 42 -3.139 -4.032 6.949 1.00 0.15 H new ATOM 0 HA ASP A 42 -2.154 -1.541 7.567 1.00 0.16 H new ATOM 0 HB2 ASP A 42 -0.674 -4.071 6.717 1.00 0.23 H new ATOM 0 HB3 ASP A 42 0.071 -2.711 7.534 1.00 0.23 H new ATOM 517 N PHE A 43 -1.370 -2.483 4.496 1.00 0.11 N ATOM 518 CA PHE A 43 -0.918 -1.988 3.199 1.00 0.10 C ATOM 519 C PHE A 43 -1.774 -0.822 2.765 1.00 0.08 C ATOM 520 O PHE A 43 -1.269 0.248 2.423 1.00 0.09 O ATOM 521 CB PHE A 43 -0.992 -3.084 2.129 1.00 0.12 C ATOM 522 CG PHE A 43 -0.741 -2.585 0.720 1.00 0.11 C ATOM 523 CD1 PHE A 43 -1.738 -1.930 0.004 1.00 0.20 C ATOM 524 CD2 PHE A 43 0.489 -2.769 0.111 1.00 0.11 C ATOM 525 CE1 PHE A 43 -1.518 -1.475 -1.270 1.00 0.23 C ATOM 526 CE2 PHE A 43 0.715 -2.313 -1.175 1.00 0.13 C ATOM 527 CZ PHE A 43 -0.291 -1.664 -1.865 1.00 0.17 C ATOM 0 H PHE A 43 -1.645 -3.465 4.499 1.00 0.11 H new ATOM 0 HA PHE A 43 0.120 -1.672 3.308 1.00 0.10 H new ATOM 0 HB2 PHE A 43 -0.262 -3.858 2.365 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -1.976 -3.551 2.169 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -2.704 -1.777 0.461 1.00 0.20 H new ATOM 0 HD2 PHE A 43 1.280 -3.274 0.646 1.00 0.11 H new ATOM 0 HE1 PHE A 43 -2.307 -0.969 -1.807 1.00 0.23 H new ATOM 0 HE2 PHE A 43 1.678 -2.464 -1.640 1.00 0.13 H new ATOM 0 HZ PHE A 43 -0.115 -1.306 -2.869 1.00 0.17 H new ATOM 537 N LEU A 44 -3.075 -1.071 2.748 1.00 0.09 N ATOM 538 CA LEU A 44 -4.058 -0.108 2.288 1.00 0.11 C ATOM 539 C LEU A 44 -3.877 1.204 3.019 1.00 0.11 C ATOM 540 O LEU A 44 -4.037 2.259 2.429 1.00 0.14 O ATOM 541 CB LEU A 44 -5.487 -0.654 2.492 1.00 0.13 C ATOM 542 CG LEU A 44 -5.708 -2.115 2.081 1.00 0.14 C ATOM 543 CD1 LEU A 44 -7.148 -2.375 1.736 1.00 0.17 C ATOM 544 CD2 LEU A 44 -4.836 -2.514 0.920 1.00 0.15 C ATOM 0 H LEU A 44 -3.479 -1.955 3.056 1.00 0.09 H new ATOM 0 HA LEU A 44 -3.911 0.064 1.222 1.00 0.11 H new ATOM 0 HB2 LEU A 44 -5.749 -0.549 3.545 1.00 0.13 H new ATOM 0 HB3 LEU A 44 -6.179 -0.029 1.927 1.00 0.13 H new ATOM 0 HG LEU A 44 -5.432 -2.721 2.944 1.00 0.14 H new ATOM 0 HD11 LEU A 44 -7.271 -3.419 1.449 1.00 0.17 H new ATOM 0 HD12 LEU A 44 -7.774 -2.161 2.602 1.00 0.17 H new ATOM 0 HD13 LEU A 44 -7.445 -1.734 0.906 1.00 0.17 H new ATOM 0 HD21 LEU A 44 -5.026 -3.556 0.663 1.00 0.15 H new ATOM 0 HD22 LEU A 44 -5.062 -1.882 0.061 1.00 0.15 H new ATOM 0 HD23 LEU A 44 -3.788 -2.393 1.194 1.00 0.15 H new ATOM 556 N MET A 45 -3.507 1.127 4.286 1.00 0.12 N ATOM 557 CA MET A 45 -3.202 2.325 5.063 1.00 0.14 C ATOM 558 C MET A 45 -1.927 2.990 4.553 1.00 0.11 C ATOM 559 O MET A 45 -1.915 4.185 4.274 1.00 0.12 O ATOM 560 CB MET A 45 -3.049 2.000 6.546 1.00 0.20 C ATOM 561 CG MET A 45 -4.313 1.456 7.181 1.00 0.32 C ATOM 562 SD MET A 45 -4.225 1.440 8.981 1.00 0.55 S ATOM 563 CE MET A 45 -2.859 0.313 9.262 1.00 1.27 C ATOM 0 H MET A 45 -3.410 0.252 4.801 1.00 0.12 H new ATOM 0 HA MET A 45 -4.039 3.013 4.942 1.00 0.14 H new ATOM 0 HB2 MET A 45 -2.248 1.271 6.669 1.00 0.20 H new ATOM 0 HB3 MET A 45 -2.744 2.902 7.077 1.00 0.20 H new ATOM 0 HG2 MET A 45 -5.164 2.061 6.867 1.00 0.32 H new ATOM 0 HG3 MET A 45 -4.491 0.443 6.820 1.00 0.32 H new ATOM 0 HE1 MET A 45 -2.516 0.407 10.292 1.00 1.27 H new ATOM 0 HE2 MET A 45 -3.188 -0.710 9.081 1.00 1.27 H new ATOM 0 HE3 MET A 45 -2.041 0.557 8.584 1.00 1.27 H new ATOM 573 N LEU A 46 -0.851 2.210 4.460 1.00 0.10 N ATOM 574 CA LEU A 46 0.429 2.704 3.937 1.00 0.11 C ATOM 575 C LEU A 46 0.243 3.458 2.625 1.00 0.12 C ATOM 576 O LEU A 46 0.659 4.611 2.497 1.00 0.14 O ATOM 577 CB LEU A 46 1.412 1.552 3.711 1.00 0.12 C ATOM 578 CG LEU A 46 1.696 0.668 4.924 1.00 0.12 C ATOM 579 CD1 LEU A 46 2.855 -0.265 4.637 1.00 0.14 C ATOM 580 CD2 LEU A 46 1.986 1.517 6.148 1.00 0.12 C ATOM 0 H LEU A 46 -0.837 1.229 4.740 1.00 0.10 H new ATOM 0 HA LEU A 46 0.833 3.386 4.685 1.00 0.11 H new ATOM 0 HB2 LEU A 46 1.025 0.922 2.910 1.00 0.12 H new ATOM 0 HB3 LEU A 46 2.356 1.969 3.361 1.00 0.12 H new ATOM 0 HG LEU A 46 0.810 0.067 5.128 1.00 0.12 H new ATOM 0 HD11 LEU A 46 3.045 -0.888 5.511 1.00 0.14 H new ATOM 0 HD12 LEU A 46 2.609 -0.899 3.785 1.00 0.14 H new ATOM 0 HD13 LEU A 46 3.745 0.321 4.408 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.186 0.869 7.001 1.00 0.12 H new ATOM 0 HD22 LEU A 46 2.857 2.145 5.957 1.00 0.12 H new ATOM 0 HD23 LEU A 46 1.124 2.148 6.366 1.00 0.12 H new ATOM 592 N ARG A 47 -0.396 2.809 1.662 1.00 0.12 N ATOM 593 CA ARG A 47 -0.626 3.417 0.359 1.00 0.15 C ATOM 594 C ARG A 47 -1.572 4.605 0.485 1.00 0.15 C ATOM 595 O ARG A 47 -1.380 5.621 -0.159 1.00 0.20 O ATOM 596 CB ARG A 47 -1.183 2.391 -0.632 1.00 0.25 C ATOM 597 CG ARG A 47 -2.379 1.630 -0.118 1.00 0.91 C ATOM 598 CD ARG A 47 -3.583 1.812 -1.017 1.00 0.40 C ATOM 599 NE ARG A 47 -3.818 3.218 -1.367 1.00 1.16 N ATOM 600 CZ ARG A 47 -4.844 3.635 -2.108 1.00 1.30 C ATOM 601 NH1 ARG A 47 -5.687 2.755 -2.623 1.00 1.51 N ATOM 602 NH2 ARG A 47 -5.016 4.930 -2.352 1.00 2.08 N ATOM 0 H ARG A 47 -0.764 1.863 1.758 1.00 0.12 H new ATOM 0 HA ARG A 47 0.331 3.773 -0.023 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -1.460 2.904 -1.553 1.00 0.25 H new ATOM 0 HB3 ARG A 47 -0.395 1.682 -0.886 1.00 0.25 H new ATOM 0 HG2 ARG A 47 -2.134 0.570 -0.047 1.00 0.91 H new ATOM 0 HG3 ARG A 47 -2.621 1.969 0.889 1.00 0.91 H new ATOM 0 HD2 ARG A 47 -3.441 1.233 -1.930 1.00 0.40 H new ATOM 0 HD3 ARG A 47 -4.467 1.412 -0.520 1.00 0.40 H new ATOM 0 HE ARG A 47 -3.158 3.916 -1.023 1.00 1.16 H new ATOM 0 HH11 ARG A 47 -5.551 1.759 -2.453 1.00 1.51 H new ATOM 0 HH12 ARG A 47 -6.473 3.073 -3.190 1.00 1.51 H new ATOM 0 HH21 ARG A 47 -4.360 5.612 -1.971 1.00 2.08 H new ATOM 0 HH22 ARG A 47 -5.804 5.242 -2.920 1.00 2.08 H new ATOM 616 N HIS A 48 -2.622 4.424 1.273 1.00 0.14 N ATOM 617 CA HIS A 48 -3.554 5.493 1.611 1.00 0.15 C ATOM 618 C HIS A 48 -2.818 6.764 1.983 1.00 0.17 C ATOM 619 O HIS A 48 -2.904 7.750 1.278 1.00 0.20 O ATOM 620 CB HIS A 48 -4.447 5.059 2.767 1.00 0.18 C ATOM 621 CG HIS A 48 -5.783 4.550 2.354 1.00 0.21 C ATOM 622 ND1 HIS A 48 -6.754 4.179 3.254 1.00 0.41 N ATOM 623 CD2 HIS A 48 -6.291 4.306 1.129 1.00 0.21 C ATOM 624 CE1 HIS A 48 -7.802 3.726 2.600 1.00 0.47 C ATOM 625 NE2 HIS A 48 -7.547 3.792 1.306 1.00 0.31 N ATOM 0 H HIS A 48 -2.854 3.527 1.699 1.00 0.14 H new ATOM 0 HA HIS A 48 -4.167 5.697 0.733 1.00 0.15 H new ATOM 0 HB2 HIS A 48 -3.935 4.282 3.334 1.00 0.18 H new ATOM 0 HB3 HIS A 48 -4.586 5.905 3.440 1.00 0.18 H new ATOM 0 HD1 HIS A 48 -6.674 4.245 4.269 1.00 0.41 H new ATOM 0 HD2 HIS A 48 -5.799 4.483 0.184 1.00 0.21 H new ATOM 0 HE1 HIS A 48 -8.716 3.362 3.046 1.00 0.47 H new ATOM 634 N ARG A 49 -2.042 6.714 3.045 1.00 0.17 N ATOM 635 CA ARG A 49 -1.393 7.909 3.562 1.00 0.18 C ATOM 636 C ARG A 49 -0.493 8.542 2.502 1.00 0.22 C ATOM 637 O ARG A 49 -0.522 9.749 2.283 1.00 0.28 O ATOM 638 CB ARG A 49 -0.598 7.552 4.792 1.00 0.16 C ATOM 639 CG ARG A 49 -1.427 6.790 5.796 1.00 0.17 C ATOM 640 CD ARG A 49 -0.706 6.664 7.102 1.00 0.17 C ATOM 641 NE ARG A 49 -0.582 5.269 7.530 1.00 0.29 N ATOM 642 CZ ARG A 49 -0.851 4.832 8.760 1.00 0.52 C ATOM 643 NH1 ARG A 49 -1.338 5.658 9.673 1.00 0.69 N ATOM 644 NH2 ARG A 49 -0.647 3.559 9.072 1.00 0.68 N ATOM 0 H ARG A 49 -1.843 5.862 3.569 1.00 0.17 H new ATOM 0 HA ARG A 49 -2.155 8.641 3.827 1.00 0.18 H new ATOM 0 HB2 ARG A 49 0.266 6.952 4.505 1.00 0.16 H new ATOM 0 HB3 ARG A 49 -0.215 8.462 5.254 1.00 0.16 H new ATOM 0 HG2 ARG A 49 -2.378 7.300 5.949 1.00 0.17 H new ATOM 0 HG3 ARG A 49 -1.656 5.798 5.406 1.00 0.17 H new ATOM 0 HD2 ARG A 49 0.287 7.105 7.012 1.00 0.17 H new ATOM 0 HD3 ARG A 49 -1.238 7.231 7.866 1.00 0.17 H new ATOM 0 HE ARG A 49 -0.269 4.586 6.840 1.00 0.29 H new ATOM 0 HH11 ARG A 49 -1.510 6.635 9.437 1.00 0.69 H new ATOM 0 HH12 ARG A 49 -1.542 5.317 10.612 1.00 0.69 H new ATOM 0 HH21 ARG A 49 -0.284 2.914 8.370 1.00 0.68 H new ATOM 0 HH22 ARG A 49 -0.853 3.225 10.014 1.00 0.68 H new ATOM 658 N ALA A 50 0.288 7.695 1.852 1.00 0.24 N ATOM 659 CA ALA A 50 1.175 8.122 0.777 1.00 0.31 C ATOM 660 C ALA A 50 0.389 8.794 -0.349 1.00 0.35 C ATOM 661 O ALA A 50 0.661 9.941 -0.713 1.00 0.42 O ATOM 662 CB ALA A 50 1.974 6.941 0.245 1.00 0.34 C ATOM 0 H ALA A 50 0.327 6.696 2.052 1.00 0.24 H new ATOM 0 HA ALA A 50 1.871 8.855 1.183 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.631 7.278 -0.557 1.00 0.34 H new ATOM 0 HB2 ALA A 50 2.573 6.515 1.050 1.00 0.34 H new ATOM 0 HB3 ALA A 50 1.291 6.183 -0.139 1.00 0.34 H new ATOM 668 N ALA A 51 -0.582 8.069 -0.895 1.00 0.34 N ATOM 669 CA ALA A 51 -1.440 8.569 -1.956 1.00 0.43 C ATOM 670 C ALA A 51 -2.212 9.817 -1.543 1.00 0.41 C ATOM 671 O ALA A 51 -2.216 10.816 -2.261 1.00 0.47 O ATOM 672 CB ALA A 51 -2.413 7.475 -2.367 1.00 0.52 C ATOM 0 H ALA A 51 -0.795 7.113 -0.610 1.00 0.34 H new ATOM 0 HA ALA A 51 -0.802 8.850 -2.794 1.00 0.43 H new ATOM 0 HB1 ALA A 51 -3.060 7.844 -3.163 1.00 0.52 H new ATOM 0 HB2 ALA A 51 -1.856 6.608 -2.724 1.00 0.52 H new ATOM 0 HB3 ALA A 51 -3.021 7.188 -1.509 1.00 0.52 H new ATOM 678 N LEU A 52 -2.851 9.765 -0.383 1.00 0.36 N ATOM 679 CA LEU A 52 -3.770 10.821 0.016 1.00 0.39 C ATOM 680 C LEU A 52 -3.000 12.039 0.515 1.00 0.40 C ATOM 681 O LEU A 52 -2.950 13.067 -0.161 1.00 0.46 O ATOM 682 CB LEU A 52 -4.753 10.322 1.083 1.00 0.39 C ATOM 683 CG LEU A 52 -5.323 8.924 0.838 1.00 0.36 C ATOM 684 CD1 LEU A 52 -6.255 8.517 1.961 1.00 0.39 C ATOM 685 CD2 LEU A 52 -6.033 8.855 -0.497 1.00 0.43 C ATOM 0 H LEU A 52 -2.751 9.009 0.294 1.00 0.36 H new ATOM 0 HA LEU A 52 -4.349 11.116 -0.859 1.00 0.39 H new ATOM 0 HB2 LEU A 52 -4.249 10.328 2.050 1.00 0.39 H new ATOM 0 HB3 LEU A 52 -5.581 11.028 1.151 1.00 0.39 H new ATOM 0 HG LEU A 52 -4.490 8.222 0.815 1.00 0.36 H new ATOM 0 HD11 LEU A 52 -6.648 7.519 1.764 1.00 0.39 H new ATOM 0 HD12 LEU A 52 -5.708 8.512 2.904 1.00 0.39 H new ATOM 0 HD13 LEU A 52 -7.080 9.226 2.024 1.00 0.39 H new ATOM 0 HD21 LEU A 52 -6.429 7.851 -0.647 1.00 0.43 H new ATOM 0 HD22 LEU A 52 -6.852 9.574 -0.511 1.00 0.43 H new ATOM 0 HD23 LEU A 52 -5.330 9.091 -1.296 1.00 0.43 H new ATOM 697 N GLY A 53 -2.391 11.926 1.690 1.00 0.36 N ATOM 698 CA GLY A 53 -1.550 13.001 2.178 1.00 0.37 C ATOM 699 C GLY A 53 -1.236 12.892 3.659 1.00 0.36 C ATOM 700 O GLY A 53 -1.349 13.872 4.393 1.00 0.55 O ATOM 0 H GLY A 53 -2.464 11.117 2.308 1.00 0.36 H new ATOM 0 HA2 GLY A 53 -0.617 13.007 1.615 1.00 0.37 H new ATOM 0 HA3 GLY A 53 -2.043 13.954 1.987 1.00 0.37 H new ATOM 704 N ALA A 54 -0.852 11.704 4.107 1.00 0.30 N ATOM 705 CA ALA A 54 -0.442 11.499 5.490 1.00 0.27 C ATOM 706 C ALA A 54 0.959 10.899 5.528 1.00 0.23 C ATOM 707 O ALA A 54 1.302 10.056 4.698 1.00 0.24 O ATOM 708 CB ALA A 54 -1.444 10.614 6.220 1.00 0.29 C ATOM 0 H ALA A 54 -0.816 10.864 3.530 1.00 0.30 H new ATOM 0 HA ALA A 54 -0.419 12.460 6.003 1.00 0.27 H new ATOM 0 HB1 ALA A 54 -1.121 10.472 7.251 1.00 0.29 H new ATOM 0 HB2 ALA A 54 -2.425 11.089 6.209 1.00 0.29 H new ATOM 0 HB3 ALA A 54 -1.505 9.646 5.723 1.00 0.29 H new ATOM 714 N ASP A 55 1.773 11.336 6.477 1.00 0.24 N ATOM 715 CA ASP A 55 3.183 10.962 6.490 1.00 0.24 C ATOM 716 C ASP A 55 3.560 10.145 7.724 1.00 0.21 C ATOM 717 O ASP A 55 4.604 10.368 8.339 1.00 0.25 O ATOM 718 CB ASP A 55 4.068 12.209 6.376 1.00 0.33 C ATOM 719 CG ASP A 55 3.949 13.147 7.562 1.00 1.21 C ATOM 720 OD1 ASP A 55 2.887 13.786 7.719 1.00 1.37 O ATOM 721 OD2 ASP A 55 4.923 13.260 8.334 1.00 1.93 O ATOM 0 H ASP A 55 1.487 11.945 7.243 1.00 0.24 H new ATOM 0 HA ASP A 55 3.353 10.323 5.624 1.00 0.24 H new ATOM 0 HB2 ASP A 55 5.108 11.898 6.272 1.00 0.33 H new ATOM 0 HB3 ASP A 55 3.804 12.750 5.467 1.00 0.33 H new ATOM 726 N ASP A 56 2.715 9.193 8.081 1.00 0.19 N ATOM 727 CA ASP A 56 3.075 8.211 9.102 1.00 0.22 C ATOM 728 C ASP A 56 4.207 7.335 8.571 1.00 0.17 C ATOM 729 O ASP A 56 4.121 6.814 7.467 1.00 0.21 O ATOM 730 CB ASP A 56 1.876 7.338 9.467 1.00 0.30 C ATOM 731 CG ASP A 56 2.228 6.260 10.474 1.00 0.65 C ATOM 732 OD1 ASP A 56 2.805 5.228 10.071 1.00 0.93 O ATOM 733 OD2 ASP A 56 1.935 6.442 11.672 1.00 0.86 O ATOM 0 H ASP A 56 1.782 9.075 7.686 1.00 0.19 H new ATOM 0 HA ASP A 56 3.397 8.738 10.000 1.00 0.22 H new ATOM 0 HB2 ASP A 56 1.084 7.966 9.874 1.00 0.30 H new ATOM 0 HB3 ASP A 56 1.481 6.872 8.564 1.00 0.30 H new ATOM 738 N ASN A 57 5.281 7.234 9.353 1.00 0.23 N ATOM 739 CA ASN A 57 6.524 6.600 8.920 1.00 0.20 C ATOM 740 C ASN A 57 6.365 5.241 8.243 1.00 0.17 C ATOM 741 O ASN A 57 7.135 4.930 7.340 1.00 0.18 O ATOM 742 CB ASN A 57 7.505 6.468 10.073 1.00 0.25 C ATOM 743 CG ASN A 57 7.041 5.520 11.165 1.00 0.35 C ATOM 744 OD1 ASN A 57 6.313 5.911 12.077 1.00 0.70 O ATOM 745 ND2 ASN A 57 7.489 4.276 11.097 1.00 0.47 N ATOM 0 H ASN A 57 5.313 7.591 10.308 1.00 0.23 H new ATOM 0 HA ASN A 57 6.910 7.277 8.158 1.00 0.20 H new ATOM 0 HB2 ASN A 57 8.463 6.120 9.685 1.00 0.25 H new ATOM 0 HB3 ASN A 57 7.676 7.453 10.508 1.00 0.25 H new ATOM 0 HD21 ASN A 57 7.232 3.601 11.818 1.00 0.47 H new ATOM 0 HD22 ASN A 57 8.091 3.992 10.324 1.00 0.47 H new ATOM 752 N ASP A 58 5.408 4.421 8.657 1.00 0.18 N ATOM 753 CA ASP A 58 5.215 3.130 7.994 1.00 0.19 C ATOM 754 C ASP A 58 4.807 3.373 6.552 1.00 0.16 C ATOM 755 O ASP A 58 5.275 2.709 5.625 1.00 0.19 O ATOM 756 CB ASP A 58 4.160 2.282 8.712 1.00 0.22 C ATOM 757 CG ASP A 58 4.729 1.484 9.868 1.00 1.28 C ATOM 758 OD1 ASP A 58 5.275 0.385 9.633 1.00 2.31 O ATOM 759 OD2 ASP A 58 4.646 1.961 11.022 1.00 1.35 O ATOM 0 H ASP A 58 4.767 4.615 9.427 1.00 0.18 H new ATOM 0 HA ASP A 58 6.153 2.575 8.026 1.00 0.19 H new ATOM 0 HB2 ASP A 58 3.368 2.933 9.082 1.00 0.22 H new ATOM 0 HB3 ASP A 58 3.702 1.599 7.996 1.00 0.22 H new ATOM 764 N ALA A 59 3.939 4.349 6.399 1.00 0.13 N ATOM 765 CA ALA A 59 3.484 4.794 5.095 1.00 0.11 C ATOM 766 C ALA A 59 4.594 5.472 4.305 1.00 0.12 C ATOM 767 O ALA A 59 4.643 5.351 3.083 1.00 0.13 O ATOM 768 CB ALA A 59 2.313 5.735 5.237 1.00 0.10 C ATOM 0 H ALA A 59 3.525 4.861 7.178 1.00 0.13 H new ATOM 0 HA ALA A 59 3.173 3.907 4.544 1.00 0.11 H new ATOM 0 HB1 ALA A 59 1.985 6.059 4.249 1.00 0.10 H new ATOM 0 HB2 ALA A 59 1.494 5.223 5.742 1.00 0.10 H new ATOM 0 HB3 ALA A 59 2.613 6.604 5.822 1.00 0.10 H new ATOM 774 N VAL A 60 5.493 6.183 4.983 1.00 0.14 N ATOM 775 CA VAL A 60 6.534 6.899 4.264 1.00 0.17 C ATOM 776 C VAL A 60 7.595 5.927 3.774 1.00 0.18 C ATOM 777 O VAL A 60 8.149 6.100 2.689 1.00 0.20 O ATOM 778 CB VAL A 60 7.201 8.025 5.090 1.00 0.21 C ATOM 779 CG1 VAL A 60 6.159 8.850 5.818 1.00 0.22 C ATOM 780 CG2 VAL A 60 8.249 7.487 6.049 1.00 0.25 C ATOM 0 H VAL A 60 5.520 6.276 5.998 1.00 0.14 H new ATOM 0 HA VAL A 60 6.041 7.382 3.421 1.00 0.17 H new ATOM 0 HB VAL A 60 7.721 8.677 4.388 1.00 0.21 H new ATOM 0 HG11 VAL A 60 6.652 9.635 6.392 1.00 0.22 H new ATOM 0 HG12 VAL A 60 5.481 9.301 5.094 1.00 0.22 H new ATOM 0 HG13 VAL A 60 5.593 8.208 6.493 1.00 0.22 H new ATOM 0 HG21 VAL A 60 8.690 8.313 6.607 1.00 0.25 H new ATOM 0 HG22 VAL A 60 7.782 6.788 6.743 1.00 0.25 H new ATOM 0 HG23 VAL A 60 9.028 6.973 5.486 1.00 0.25 H new ATOM 790 N LYS A 61 7.876 4.908 4.586 1.00 0.19 N ATOM 791 CA LYS A 61 8.790 3.854 4.204 1.00 0.22 C ATOM 792 C LYS A 61 8.156 2.948 3.161 1.00 0.20 C ATOM 793 O LYS A 61 8.848 2.272 2.399 1.00 0.28 O ATOM 794 CB LYS A 61 9.171 3.077 5.445 1.00 0.29 C ATOM 795 CG LYS A 61 9.933 3.926 6.450 1.00 0.37 C ATOM 796 CD LYS A 61 9.887 3.318 7.839 1.00 0.49 C ATOM 797 CE LYS A 61 10.064 1.813 7.789 1.00 1.13 C ATOM 798 NZ LYS A 61 11.442 1.414 7.387 1.00 1.71 N ATOM 0 H LYS A 61 7.476 4.798 5.518 1.00 0.19 H new ATOM 0 HA LYS A 61 9.687 4.282 3.756 1.00 0.22 H new ATOM 0 HB2 LYS A 61 8.270 2.684 5.915 1.00 0.29 H new ATOM 0 HB3 LYS A 61 9.782 2.220 5.161 1.00 0.29 H new ATOM 0 HG2 LYS A 61 10.970 4.027 6.130 1.00 0.37 H new ATOM 0 HG3 LYS A 61 9.508 4.929 6.477 1.00 0.37 H new ATOM 0 HD2 LYS A 61 10.670 3.758 8.457 1.00 0.49 H new ATOM 0 HD3 LYS A 61 8.935 3.559 8.312 1.00 0.49 H new ATOM 0 HE2 LYS A 61 9.838 1.391 8.768 1.00 1.13 H new ATOM 0 HE3 LYS A 61 9.347 1.389 7.086 1.00 1.13 H new ATOM 0 HZ1 LYS A 61 11.511 0.376 7.368 1.00 1.71 H new ATOM 0 HZ2 LYS A 61 11.651 1.792 6.441 1.00 1.71 H new ATOM 0 HZ3 LYS A 61 12.127 1.794 8.071 1.00 1.71 H new ATOM 812 N PHE A 62 6.831 2.935 3.137 1.00 0.14 N ATOM 813 CA PHE A 62 6.101 2.298 2.062 1.00 0.13 C ATOM 814 C PHE A 62 6.333 3.087 0.794 1.00 0.13 C ATOM 815 O PHE A 62 6.772 2.551 -0.217 1.00 0.15 O ATOM 816 CB PHE A 62 4.607 2.253 2.379 1.00 0.14 C ATOM 817 CG PHE A 62 3.777 1.665 1.275 1.00 0.14 C ATOM 818 CD1 PHE A 62 3.616 0.290 1.154 1.00 0.16 C ATOM 819 CD2 PHE A 62 3.151 2.490 0.364 1.00 0.15 C ATOM 820 CE1 PHE A 62 2.846 -0.241 0.142 1.00 0.18 C ATOM 821 CE2 PHE A 62 2.378 1.964 -0.647 1.00 0.16 C ATOM 822 CZ PHE A 62 2.265 0.560 -0.769 1.00 0.17 C ATOM 0 H PHE A 62 6.243 3.361 3.853 1.00 0.14 H new ATOM 0 HA PHE A 62 6.452 1.273 1.940 1.00 0.13 H new ATOM 0 HB2 PHE A 62 4.454 1.670 3.287 1.00 0.14 H new ATOM 0 HB3 PHE A 62 4.257 3.264 2.586 1.00 0.14 H new ATOM 0 HD1 PHE A 62 4.099 -0.369 1.860 1.00 0.16 H new ATOM 0 HD2 PHE A 62 3.268 3.561 0.444 1.00 0.15 H new ATOM 0 HE1 PHE A 62 2.708 -1.310 0.080 1.00 0.18 H new ATOM 0 HE2 PHE A 62 1.864 2.616 -1.338 1.00 0.16 H new ATOM 0 HZ PHE A 62 1.713 0.131 -1.592 1.00 0.17 H new ATOM 832 N ARG A 63 6.027 4.372 0.875 1.00 0.12 N ATOM 833 CA ARG A 63 6.220 5.304 -0.217 1.00 0.15 C ATOM 834 C ARG A 63 7.632 5.223 -0.790 1.00 0.14 C ATOM 835 O ARG A 63 7.799 4.929 -1.965 1.00 0.16 O ATOM 836 CB ARG A 63 5.915 6.708 0.320 1.00 0.21 C ATOM 837 CG ARG A 63 6.321 7.872 -0.570 1.00 0.42 C ATOM 838 CD ARG A 63 7.759 8.302 -0.311 1.00 0.39 C ATOM 839 NE ARG A 63 7.960 9.712 -0.598 1.00 0.76 N ATOM 840 CZ ARG A 63 8.791 10.505 0.073 1.00 1.06 C ATOM 841 NH1 ARG A 63 9.532 10.017 1.062 1.00 1.44 N ATOM 842 NH2 ARG A 63 8.880 11.789 -0.250 1.00 1.37 N ATOM 0 H ARG A 63 5.633 4.799 1.713 1.00 0.12 H new ATOM 0 HA ARG A 63 5.550 5.057 -1.040 1.00 0.15 H new ATOM 0 HB2 ARG A 63 4.843 6.778 0.507 1.00 0.21 H new ATOM 0 HB3 ARG A 63 6.414 6.822 1.282 1.00 0.21 H new ATOM 0 HG2 ARG A 63 6.209 7.587 -1.616 1.00 0.42 H new ATOM 0 HG3 ARG A 63 5.652 8.715 -0.396 1.00 0.42 H new ATOM 0 HD2 ARG A 63 8.016 8.102 0.729 1.00 0.39 H new ATOM 0 HD3 ARG A 63 8.433 7.706 -0.926 1.00 0.39 H new ATOM 0 HE ARG A 63 7.428 10.122 -1.366 1.00 0.76 H new ATOM 0 HH11 ARG A 63 9.465 9.030 1.310 1.00 1.44 H new ATOM 0 HH12 ARG A 63 10.168 10.630 1.573 1.00 1.44 H new ATOM 0 HH21 ARG A 63 8.313 12.164 -1.010 1.00 1.37 H new ATOM 0 HH22 ARG A 63 9.516 12.401 0.262 1.00 1.37 H new ATOM 856 N SER A 64 8.627 5.504 0.040 1.00 0.13 N ATOM 857 CA SER A 64 10.028 5.469 -0.385 1.00 0.16 C ATOM 858 C SER A 64 10.370 4.214 -1.199 1.00 0.17 C ATOM 859 O SER A 64 10.974 4.304 -2.269 1.00 0.28 O ATOM 860 CB SER A 64 10.952 5.586 0.830 1.00 0.21 C ATOM 861 OG SER A 64 10.578 4.681 1.852 1.00 1.30 O ATOM 0 H SER A 64 8.493 5.761 1.018 1.00 0.13 H new ATOM 0 HA SER A 64 10.183 6.323 -1.044 1.00 0.16 H new ATOM 0 HB2 SER A 64 11.981 5.390 0.527 1.00 0.21 H new ATOM 0 HB3 SER A 64 10.922 6.605 1.215 1.00 0.21 H new ATOM 0 HG SER A 64 11.335 4.540 2.458 1.00 1.30 H new ATOM 867 N TRP A 65 9.957 3.059 -0.703 1.00 0.13 N ATOM 868 CA TRP A 65 10.231 1.791 -1.369 1.00 0.14 C ATOM 869 C TRP A 65 9.372 1.618 -2.625 1.00 0.13 C ATOM 870 O TRP A 65 9.889 1.348 -3.708 1.00 0.15 O ATOM 871 CB TRP A 65 10.019 0.648 -0.366 1.00 0.17 C ATOM 872 CG TRP A 65 9.710 -0.681 -0.980 1.00 0.17 C ATOM 873 CD1 TRP A 65 10.583 -1.615 -1.441 1.00 0.20 C ATOM 874 CD2 TRP A 65 8.412 -1.218 -1.168 1.00 0.16 C ATOM 875 NE1 TRP A 65 9.890 -2.709 -1.910 1.00 0.19 N ATOM 876 CE2 TRP A 65 8.551 -2.481 -1.756 1.00 0.16 C ATOM 877 CE3 TRP A 65 7.148 -0.737 -0.893 1.00 0.19 C ATOM 878 CZ2 TRP A 65 7.454 -3.274 -2.074 1.00 0.17 C ATOM 879 CZ3 TRP A 65 6.057 -1.516 -1.206 1.00 0.23 C ATOM 880 CH2 TRP A 65 6.217 -2.776 -1.793 1.00 0.21 C ATOM 0 H TRP A 65 9.427 2.971 0.164 1.00 0.13 H new ATOM 0 HA TRP A 65 11.267 1.777 -1.708 1.00 0.14 H new ATOM 0 HB2 TRP A 65 10.916 0.550 0.245 1.00 0.17 H new ATOM 0 HB3 TRP A 65 9.204 0.920 0.305 1.00 0.17 H new ATOM 0 HD1 TRP A 65 11.658 -1.515 -1.440 1.00 0.20 H new ATOM 0 HE1 TRP A 65 10.307 -3.551 -2.307 1.00 0.19 H new ATOM 0 HE3 TRP A 65 7.017 0.234 -0.440 1.00 0.19 H new ATOM 0 HZ2 TRP A 65 7.577 -4.247 -2.526 1.00 0.17 H new ATOM 0 HZ3 TRP A 65 5.063 -1.149 -0.995 1.00 0.23 H new ATOM 0 HH2 TRP A 65 5.343 -3.365 -2.028 1.00 0.21 H new ATOM 891 N TRP A 66 8.074 1.825 -2.483 1.00 0.12 N ATOM 892 CA TRP A 66 7.111 1.538 -3.543 1.00 0.13 C ATOM 893 C TRP A 66 7.188 2.568 -4.665 1.00 0.12 C ATOM 894 O TRP A 66 6.873 2.263 -5.812 1.00 0.19 O ATOM 895 CB TRP A 66 5.705 1.515 -2.933 1.00 0.16 C ATOM 896 CG TRP A 66 4.648 0.871 -3.775 1.00 0.19 C ATOM 897 CD1 TRP A 66 3.436 1.402 -4.074 1.00 0.23 C ATOM 898 CD2 TRP A 66 4.680 -0.418 -4.400 1.00 0.24 C ATOM 899 NE1 TRP A 66 2.715 0.540 -4.847 1.00 0.26 N ATOM 900 CE2 TRP A 66 3.455 -0.580 -5.063 1.00 0.27 C ATOM 901 CE3 TRP A 66 5.617 -1.449 -4.470 1.00 0.30 C ATOM 902 CZ2 TRP A 66 3.142 -1.715 -5.783 1.00 0.34 C ATOM 903 CZ3 TRP A 66 5.305 -2.588 -5.186 1.00 0.38 C ATOM 904 CH2 TRP A 66 4.076 -2.712 -5.838 1.00 0.39 C ATOM 0 H TRP A 66 7.654 2.197 -1.631 1.00 0.12 H new ATOM 0 HA TRP A 66 7.346 0.568 -3.982 1.00 0.13 H new ATOM 0 HB2 TRP A 66 5.751 0.994 -1.977 1.00 0.16 H new ATOM 0 HB3 TRP A 66 5.402 2.541 -2.722 1.00 0.16 H new ATOM 0 HD1 TRP A 66 3.090 2.371 -3.746 1.00 0.23 H new ATOM 0 HE1 TRP A 66 1.775 0.708 -5.205 1.00 0.26 H new ATOM 0 HE3 TRP A 66 6.571 -1.358 -3.972 1.00 0.30 H new ATOM 0 HZ2 TRP A 66 2.191 -1.812 -6.286 1.00 0.34 H new ATOM 0 HZ3 TRP A 66 6.021 -3.394 -5.243 1.00 0.38 H new ATOM 0 HH2 TRP A 66 3.860 -3.611 -6.395 1.00 0.39 H new ATOM 915 N ASN A 67 7.642 3.770 -4.345 1.00 0.17 N ATOM 916 CA ASN A 67 7.681 4.861 -5.317 1.00 0.17 C ATOM 917 C ASN A 67 9.011 4.920 -6.033 1.00 0.18 C ATOM 918 O ASN A 67 9.229 5.772 -6.890 1.00 0.22 O ATOM 919 CB ASN A 67 7.422 6.198 -4.648 1.00 0.20 C ATOM 920 CG ASN A 67 5.947 6.474 -4.487 1.00 0.23 C ATOM 921 OD1 ASN A 67 5.316 7.080 -5.349 1.00 0.31 O ATOM 922 ND2 ASN A 67 5.381 6.006 -3.394 1.00 0.38 N ATOM 0 H ASN A 67 7.990 4.019 -3.419 1.00 0.17 H new ATOM 0 HA ASN A 67 6.895 4.661 -6.045 1.00 0.17 H new ATOM 0 HB2 ASN A 67 7.902 6.213 -3.670 1.00 0.20 H new ATOM 0 HB3 ASN A 67 7.877 6.993 -5.239 1.00 0.20 H new ATOM 0 HD21 ASN A 67 4.382 6.142 -3.239 1.00 0.38 H new ATOM 0 HD22 ASN A 67 5.942 5.508 -2.703 1.00 0.38 H new ATOM 929 N SER A 68 9.913 4.043 -5.666 1.00 0.18 N ATOM 930 CA SER A 68 11.172 3.944 -6.373 1.00 0.22 C ATOM 931 C SER A 68 11.066 2.861 -7.439 1.00 0.22 C ATOM 932 O SER A 68 11.892 2.766 -8.347 1.00 0.24 O ATOM 933 CB SER A 68 12.320 3.651 -5.407 1.00 0.25 C ATOM 934 OG SER A 68 12.459 4.692 -4.450 1.00 0.85 O ATOM 0 H SER A 68 9.803 3.391 -4.889 1.00 0.18 H new ATOM 0 HA SER A 68 11.388 4.898 -6.854 1.00 0.22 H new ATOM 0 HB2 SER A 68 12.138 2.705 -4.897 1.00 0.25 H new ATOM 0 HB3 SER A 68 13.250 3.539 -5.965 1.00 0.25 H new ATOM 0 HG SER A 68 11.742 4.624 -3.786 1.00 0.85 H new ATOM 940 N ARG A 69 10.034 2.038 -7.304 1.00 0.20 N ATOM 941 CA ARG A 69 9.847 0.887 -8.171 1.00 0.22 C ATOM 942 C ARG A 69 8.600 1.043 -9.030 1.00 0.24 C ATOM 943 O ARG A 69 8.658 1.053 -10.259 1.00 0.27 O ATOM 944 CB ARG A 69 9.758 -0.397 -7.339 1.00 0.22 C ATOM 945 CG ARG A 69 8.965 -0.270 -6.053 1.00 0.29 C ATOM 946 CD ARG A 69 8.904 -1.594 -5.316 1.00 0.22 C ATOM 947 NE ARG A 69 10.234 -2.166 -5.105 1.00 0.84 N ATOM 948 CZ ARG A 69 10.537 -3.452 -5.292 1.00 0.99 C ATOM 949 NH1 ARG A 69 9.602 -4.316 -5.680 1.00 0.97 N ATOM 950 NH2 ARG A 69 11.778 -3.871 -5.084 1.00 1.70 N ATOM 0 H ARG A 69 9.309 2.150 -6.595 1.00 0.20 H new ATOM 0 HA ARG A 69 10.710 0.822 -8.834 1.00 0.22 H new ATOM 0 HB2 ARG A 69 9.308 -1.179 -7.951 1.00 0.22 H new ATOM 0 HB3 ARG A 69 10.768 -0.725 -7.095 1.00 0.22 H new ATOM 0 HG2 ARG A 69 9.422 0.485 -5.413 1.00 0.29 H new ATOM 0 HG3 ARG A 69 7.955 0.072 -6.277 1.00 0.29 H new ATOM 0 HD2 ARG A 69 8.414 -1.450 -4.353 1.00 0.22 H new ATOM 0 HD3 ARG A 69 8.293 -2.297 -5.883 1.00 0.22 H new ATOM 0 HE ARG A 69 10.978 -1.541 -4.795 1.00 0.84 H new ATOM 0 HH11 ARG A 69 8.646 -3.997 -5.837 1.00 0.97 H new ATOM 0 HH12 ARG A 69 9.841 -5.297 -5.821 1.00 0.97 H new ATOM 0 HH21 ARG A 69 12.495 -3.211 -4.783 1.00 1.70 H new ATOM 0 HH22 ARG A 69 12.015 -4.853 -5.225 1.00 1.70 H new ATOM 964 N THR A 70 7.481 1.170 -8.351 1.00 0.24 N ATOM 965 CA THR A 70 6.171 1.172 -8.979 1.00 0.26 C ATOM 966 C THR A 70 5.571 2.562 -9.037 1.00 0.25 C ATOM 967 O THR A 70 5.247 3.066 -10.110 1.00 0.29 O ATOM 968 CB THR A 70 5.222 0.303 -8.160 1.00 0.27 C ATOM 969 OG1 THR A 70 5.858 -0.943 -7.845 1.00 0.33 O ATOM 970 CG2 THR A 70 3.933 0.053 -8.907 1.00 0.31 C ATOM 0 H THR A 70 7.451 1.276 -7.337 1.00 0.24 H new ATOM 0 HA THR A 70 6.298 0.795 -9.994 1.00 0.26 H new ATOM 0 HB THR A 70 4.981 0.831 -7.238 1.00 0.27 H new ATOM 0 HG1 THR A 70 5.384 -1.374 -7.104 1.00 0.33 H new ATOM 0 HG21 THR A 70 3.275 -0.569 -8.300 1.00 0.31 H new ATOM 0 HG22 THR A 70 3.443 1.004 -9.115 1.00 0.31 H new ATOM 0 HG23 THR A 70 4.150 -0.457 -9.846 1.00 0.31 H new ATOM 978 N LYS A 71 5.410 3.144 -7.851 1.00 0.24 N ATOM 979 CA LYS A 71 4.733 4.422 -7.665 1.00 0.27 C ATOM 980 C LYS A 71 3.233 4.227 -7.786 1.00 0.30 C ATOM 981 O LYS A 71 2.481 5.144 -8.126 1.00 0.52 O ATOM 982 CB LYS A 71 5.239 5.463 -8.637 1.00 0.32 C ATOM 983 CG LYS A 71 6.748 5.634 -8.574 1.00 0.35 C ATOM 984 CD LYS A 71 7.266 6.708 -9.511 1.00 0.46 C ATOM 985 CE LYS A 71 6.712 8.077 -9.150 1.00 0.93 C ATOM 986 NZ LYS A 71 7.163 9.131 -10.095 1.00 1.20 N ATOM 0 H LYS A 71 5.751 2.735 -6.981 1.00 0.24 H new ATOM 0 HA LYS A 71 4.956 4.794 -6.665 1.00 0.27 H new ATOM 0 HB2 LYS A 71 4.951 5.181 -9.649 1.00 0.32 H new ATOM 0 HB3 LYS A 71 4.759 6.418 -8.424 1.00 0.32 H new ATOM 0 HG2 LYS A 71 7.037 5.882 -7.553 1.00 0.35 H new ATOM 0 HG3 LYS A 71 7.225 4.685 -8.819 1.00 0.35 H new ATOM 0 HD2 LYS A 71 8.355 6.733 -9.471 1.00 0.46 H new ATOM 0 HD3 LYS A 71 6.990 6.462 -10.536 1.00 0.46 H new ATOM 0 HE2 LYS A 71 5.623 8.037 -9.146 1.00 0.93 H new ATOM 0 HE3 LYS A 71 7.025 8.339 -8.139 1.00 0.93 H new ATOM 0 HZ1 LYS A 71 6.761 10.047 -9.811 1.00 1.20 H new ATOM 0 HZ2 LYS A 71 8.201 9.189 -10.081 1.00 1.20 H new ATOM 0 HZ3 LYS A 71 6.842 8.896 -11.056 1.00 1.20 H new ATOM 1000 N MET A 72 2.832 2.995 -7.473 1.00 0.31 N ATOM 1001 CA MET A 72 1.435 2.573 -7.358 1.00 0.32 C ATOM 1002 C MET A 72 0.548 2.967 -8.521 1.00 0.39 C ATOM 1003 O MET A 72 0.980 3.384 -9.600 1.00 0.72 O ATOM 1004 CB MET A 72 0.763 3.088 -6.071 1.00 0.35 C ATOM 1005 CG MET A 72 1.532 4.128 -5.296 1.00 0.40 C ATOM 1006 SD MET A 72 0.485 5.099 -4.194 1.00 1.11 S ATOM 1007 CE MET A 72 1.685 6.238 -3.511 1.00 1.20 C ATOM 0 H MET A 72 3.491 2.239 -7.287 1.00 0.31 H new ATOM 0 HA MET A 72 1.518 1.486 -7.345 1.00 0.32 H new ATOM 0 HB2 MET A 72 -0.209 3.504 -6.334 1.00 0.35 H new ATOM 0 HB3 MET A 72 0.579 2.237 -5.415 1.00 0.35 H new ATOM 0 HG2 MET A 72 2.309 3.637 -4.711 1.00 0.40 H new ATOM 0 HG3 MET A 72 2.034 4.797 -5.995 1.00 0.40 H new ATOM 0 HE1 MET A 72 1.167 7.064 -3.025 1.00 1.20 H new ATOM 0 HE2 MET A 72 2.305 5.718 -2.781 1.00 1.20 H new ATOM 0 HE3 MET A 72 2.315 6.626 -4.311 1.00 1.20 H new ATOM 1017 N ALA A 73 -0.717 2.789 -8.233 1.00 0.48 N ATOM 1018 CA ALA A 73 -1.821 3.131 -9.089 1.00 0.56 C ATOM 1019 C ALA A 73 -2.951 3.569 -8.196 1.00 0.61 C ATOM 1020 O ALA A 73 -4.093 3.160 -8.378 1.00 0.93 O ATOM 1021 CB ALA A 73 -2.227 1.957 -9.966 1.00 0.67 C ATOM 0 H ALA A 73 -1.018 2.380 -7.348 1.00 0.48 H new ATOM 0 HA ALA A 73 -1.542 3.934 -9.772 1.00 0.56 H new ATOM 0 HB1 ALA A 73 -3.064 2.249 -10.601 1.00 0.67 H new ATOM 0 HB2 ALA A 73 -1.384 1.661 -10.590 1.00 0.67 H new ATOM 0 HB3 ALA A 73 -2.525 1.118 -9.336 1.00 0.67 H new ATOM 1027 N ASN A 74 -2.560 4.425 -7.241 1.00 0.64 N ATOM 1028 CA ASN A 74 -3.380 4.898 -6.120 1.00 0.74 C ATOM 1029 C ASN A 74 -4.724 4.197 -6.022 1.00 0.92 C ATOM 1030 O ASN A 74 -4.865 3.218 -5.294 1.00 1.68 O ATOM 1031 CB ASN A 74 -3.554 6.413 -6.206 1.00 0.89 C ATOM 1032 CG ASN A 74 -2.251 7.156 -5.962 1.00 1.48 C ATOM 1033 OD1 ASN A 74 -1.181 6.719 -6.389 1.00 2.37 O ATOM 1034 ND2 ASN A 74 -2.324 8.271 -5.258 1.00 1.58 N ATOM 0 H ASN A 74 -1.621 4.823 -7.230 1.00 0.64 H new ATOM 0 HA ASN A 74 -2.847 4.646 -5.203 1.00 0.74 H new ATOM 0 HB2 ASN A 74 -3.942 6.677 -7.190 1.00 0.89 H new ATOM 0 HB3 ASN A 74 -4.296 6.734 -5.474 1.00 0.89 H new ATOM 0 HD21 ASN A 74 -1.477 8.800 -5.052 1.00 1.58 H new ATOM 0 HD22 ASN A 74 -3.228 8.603 -4.921 1.00 1.58 H new ATOM 1041 N ASP A 75 -5.707 4.690 -6.757 1.00 0.91 N ATOM 1042 CA ASP A 75 -6.990 4.014 -6.855 1.00 0.98 C ATOM 1043 C ASP A 75 -7.458 4.030 -8.303 1.00 0.96 C ATOM 1044 O ASP A 75 -8.653 4.133 -8.585 1.00 1.14 O ATOM 1045 CB ASP A 75 -8.033 4.671 -5.940 1.00 1.22 C ATOM 1046 CG ASP A 75 -7.688 4.545 -4.467 1.00 1.84 C ATOM 1047 OD1 ASP A 75 -7.919 3.467 -3.881 1.00 2.37 O ATOM 1048 OD2 ASP A 75 -7.175 5.528 -3.880 1.00 2.38 O ATOM 0 H ASP A 75 -5.641 5.555 -7.294 1.00 0.91 H new ATOM 0 HA ASP A 75 -6.871 2.982 -6.526 1.00 0.98 H new ATOM 0 HB2 ASP A 75 -8.123 5.726 -6.198 1.00 1.22 H new ATOM 0 HB3 ASP A 75 -9.006 4.215 -6.121 1.00 1.22 H new ATOM 1053 N TYR A 76 -6.500 3.928 -9.220 1.00 0.81 N ATOM 1054 CA TYR A 76 -6.781 4.001 -10.642 1.00 0.88 C ATOM 1055 C TYR A 76 -7.041 2.615 -11.218 1.00 0.93 C ATOM 1056 O TYR A 76 -8.214 2.302 -11.512 1.00 1.47 O ATOM 1057 CB TYR A 76 -5.613 4.652 -11.366 1.00 0.91 C ATOM 1058 CG TYR A 76 -5.276 6.039 -10.869 1.00 1.02 C ATOM 1059 CD1 TYR A 76 -6.093 7.120 -11.170 1.00 1.27 C ATOM 1060 CD2 TYR A 76 -4.142 6.271 -10.100 1.00 1.01 C ATOM 1061 CE1 TYR A 76 -5.794 8.386 -10.723 1.00 1.47 C ATOM 1062 CE2 TYR A 76 -3.836 7.537 -9.647 1.00 1.23 C ATOM 1063 CZ TYR A 76 -4.649 8.586 -9.951 1.00 1.45 C ATOM 1064 OH TYR A 76 -4.365 9.860 -9.513 1.00 1.70 O ATOM 0 H TYR A 76 -5.514 3.793 -8.996 1.00 0.81 H new ATOM 0 HA TYR A 76 -7.678 4.604 -10.784 1.00 0.88 H new ATOM 0 HB2 TYR A 76 -4.734 4.016 -11.261 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -5.843 4.705 -12.430 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -6.980 6.964 -11.766 1.00 1.27 H new ATOM 0 HD2 TYR A 76 -3.490 5.446 -9.853 1.00 1.01 H new ATOM 0 HE1 TYR A 76 -6.439 9.217 -10.967 1.00 1.47 H new ATOM 0 HE2 TYR A 76 -2.950 7.697 -9.050 1.00 1.23 H new ATOM 0 HH TYR A 76 -3.539 9.848 -8.986 1.00 1.70 H new TER 1074 TYR A 76