USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 149:sc= -0.132 (180deg=-0.64) USER MOD Single : A 12 GLN :FLIP amide:sc=-0.00741 F(o=-1.1,f=-0.0074) USER MOD Single : A 13 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.38) USER MOD Single : A 14 GLN : amide:sc= -5.4! C(o=-5.4!,f=-14!) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.395 F(o=-2.4,f=-0.4) USER MOD Single : A 19 ASN : amide:sc= -0.762! C(o=-0.76!,f=-12!) USER MOD Single : A 20 SER OG : rot -38:sc= 0.00171 USER MOD Single : A 21 MET CE :methyl -167:sc= -3.08! (180deg=-3.97!) USER MOD Single : A 25 ASN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.36! C(o=-1.4!,f=-3!) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.09 F(o=-2.5!,f=-1.1) USER MOD Single : A 36 THR OG1 : rot -87:sc= -0.252 USER MOD Single : A 41 ASN : amide:sc= 0.297 X(o=0.3,f=-0.14) USER MOD Single : A 50 SER OG : rot 151:sc= 0.963 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0308 F(o=-1.1,f=-0.031) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.925 -1.434 -0.755 1.00 6.75 N ATOM 2 CA GLY A 1 23.463 -1.198 -0.771 1.00 6.35 C ATOM 3 C GLY A 1 22.712 -2.256 0.009 1.00 5.53 C ATOM 4 O GLY A 1 22.975 -3.448 -0.160 1.00 5.27 O ATOM 0 H1 GLY A 1 25.403 -0.688 -1.300 1.00 6.75 H new ATOM 0 H2 GLY A 1 25.268 -1.420 0.227 1.00 6.75 H new ATOM 0 H3 GLY A 1 25.132 -2.360 -1.181 1.00 6.75 H new ATOM 0 HA2 GLY A 1 23.249 -0.216 -0.349 1.00 6.35 H new ATOM 0 HA3 GLY A 1 23.108 -1.187 -1.802 1.00 6.35 H new ATOM 10 N PRO A 2 21.780 -1.848 0.887 1.00 5.42 N ATOM 11 CA PRO A 2 20.971 -2.773 1.683 1.00 4.84 C ATOM 12 C PRO A 2 20.001 -3.575 0.827 1.00 3.62 C ATOM 13 O PRO A 2 19.618 -3.149 -0.267 1.00 3.32 O ATOM 14 CB PRO A 2 20.181 -1.863 2.634 1.00 5.41 C ATOM 15 CG PRO A 2 20.851 -0.534 2.556 1.00 6.37 C ATOM 16 CD PRO A 2 21.440 -0.451 1.178 1.00 6.21 C ATOM 0 HA PRO A 2 21.599 -3.504 2.193 1.00 4.84 H new ATOM 0 HB2 PRO A 2 19.135 -1.794 2.334 1.00 5.41 H new ATOM 0 HB3 PRO A 2 20.196 -2.251 3.652 1.00 5.41 H new ATOM 0 HG2 PRO A 2 20.138 0.273 2.726 1.00 6.37 H new ATOM 0 HG3 PRO A 2 21.625 -0.441 3.318 1.00 6.37 H new ATOM 0 HD2 PRO A 2 20.728 -0.049 0.457 1.00 6.21 H new ATOM 0 HD3 PRO A 2 22.319 0.193 1.152 1.00 6.21 H new ATOM 24 N LEU A 3 19.595 -4.727 1.333 1.00 3.31 N ATOM 25 CA LEU A 3 18.644 -5.567 0.634 1.00 2.51 C ATOM 26 C LEU A 3 17.400 -5.783 1.487 1.00 2.04 C ATOM 27 O LEU A 3 17.489 -6.145 2.662 1.00 2.65 O ATOM 28 CB LEU A 3 19.289 -6.905 0.239 1.00 3.20 C ATOM 29 CG LEU A 3 19.818 -7.769 1.389 1.00 3.91 C ATOM 30 CD1 LEU A 3 18.773 -8.782 1.839 1.00 4.51 C ATOM 31 CD2 LEU A 3 21.110 -8.461 0.980 1.00 4.58 C ATOM 0 H LEU A 3 19.911 -5.101 2.228 1.00 3.31 H new ATOM 0 HA LEU A 3 18.341 -5.062 -0.283 1.00 2.51 H new ATOM 0 HB2 LEU A 3 18.555 -7.488 -0.317 1.00 3.20 H new ATOM 0 HB3 LEU A 3 20.115 -6.699 -0.442 1.00 3.20 H new ATOM 0 HG LEU A 3 20.031 -7.118 2.237 1.00 3.91 H new ATOM 0 HD11 LEU A 3 19.175 -9.381 2.656 1.00 4.51 H new ATOM 0 HD12 LEU A 3 17.880 -8.257 2.179 1.00 4.51 H new ATOM 0 HD13 LEU A 3 18.515 -9.433 1.004 1.00 4.51 H new ATOM 0 HD21 LEU A 3 21.474 -9.071 1.807 1.00 4.58 H new ATOM 0 HD22 LEU A 3 20.924 -9.097 0.114 1.00 4.58 H new ATOM 0 HD23 LEU A 3 21.859 -7.712 0.725 1.00 4.58 H new ATOM 43 N GLY A 4 16.248 -5.489 0.906 1.00 1.50 N ATOM 44 CA GLY A 4 14.979 -5.735 1.566 1.00 1.46 C ATOM 45 C GLY A 4 14.623 -4.678 2.589 1.00 1.26 C ATOM 46 O GLY A 4 13.450 -4.345 2.764 1.00 1.38 O ATOM 0 H GLY A 4 16.167 -5.078 -0.024 1.00 1.50 H new ATOM 0 HA2 GLY A 4 14.190 -5.785 0.815 1.00 1.46 H new ATOM 0 HA3 GLY A 4 15.015 -6.708 2.056 1.00 1.46 H new ATOM 50 N SER A 5 15.631 -4.141 3.249 1.00 1.11 N ATOM 51 CA SER A 5 15.441 -3.108 4.253 1.00 1.19 C ATOM 52 C SER A 5 15.250 -1.747 3.588 1.00 1.04 C ATOM 53 O SER A 5 15.980 -0.792 3.851 1.00 1.28 O ATOM 54 CB SER A 5 16.635 -3.089 5.207 1.00 1.47 C ATOM 55 OG SER A 5 16.781 -4.344 5.858 1.00 1.68 O ATOM 0 H SER A 5 16.605 -4.407 3.105 1.00 1.11 H new ATOM 0 HA SER A 5 14.541 -3.329 4.827 1.00 1.19 H new ATOM 0 HB2 SER A 5 17.544 -2.853 4.654 1.00 1.47 H new ATOM 0 HB3 SER A 5 16.500 -2.303 5.950 1.00 1.47 H new ATOM 0 HG SER A 5 17.552 -4.311 6.463 1.00 1.68 H new ATOM 61 N MET A 6 14.268 -1.693 2.700 1.00 0.82 N ATOM 62 CA MET A 6 13.891 -0.487 2.012 1.00 0.90 C ATOM 63 C MET A 6 12.415 -0.582 1.619 1.00 0.74 C ATOM 64 O MET A 6 12.037 -0.243 0.500 1.00 0.77 O ATOM 65 CB MET A 6 14.793 -0.287 0.782 1.00 1.13 C ATOM 66 CG MET A 6 15.302 -1.577 0.148 1.00 1.70 C ATOM 67 SD MET A 6 14.017 -2.522 -0.694 1.00 2.28 S ATOM 68 CE MET A 6 13.646 -1.438 -2.070 1.00 2.00 C ATOM 0 H MET A 6 13.707 -2.504 2.440 1.00 0.82 H new ATOM 0 HA MET A 6 14.021 0.379 2.662 1.00 0.90 H new ATOM 0 HB2 MET A 6 14.240 0.277 0.031 1.00 1.13 H new ATOM 0 HB3 MET A 6 15.649 0.322 1.072 1.00 1.13 H new ATOM 0 HG2 MET A 6 16.090 -1.335 -0.565 1.00 1.70 H new ATOM 0 HG3 MET A 6 15.752 -2.200 0.921 1.00 1.70 H new ATOM 0 HE1 MET A 6 13.336 -2.033 -2.929 1.00 2.00 H new ATOM 0 HE2 MET A 6 12.841 -0.758 -1.791 1.00 2.00 H new ATOM 0 HE3 MET A 6 14.534 -0.862 -2.329 1.00 2.00 H new ATOM 78 N PRO A 7 11.539 -1.013 2.557 1.00 0.69 N ATOM 79 CA PRO A 7 10.146 -1.315 2.239 1.00 0.65 C ATOM 80 C PRO A 7 9.389 -0.070 1.821 1.00 0.53 C ATOM 81 O PRO A 7 8.720 -0.054 0.794 1.00 0.74 O ATOM 82 CB PRO A 7 9.573 -1.888 3.548 1.00 0.83 C ATOM 83 CG PRO A 7 10.758 -2.174 4.409 1.00 0.92 C ATOM 84 CD PRO A 7 11.805 -1.185 3.998 1.00 0.83 C ATOM 0 HA PRO A 7 10.059 -2.008 1.402 1.00 0.65 H new ATOM 0 HB2 PRO A 7 8.902 -1.176 4.028 1.00 0.83 H new ATOM 0 HB3 PRO A 7 8.996 -2.794 3.361 1.00 0.83 H new ATOM 0 HG2 PRO A 7 10.510 -2.066 5.465 1.00 0.92 H new ATOM 0 HG3 PRO A 7 11.108 -3.197 4.267 1.00 0.92 H new ATOM 0 HD2 PRO A 7 11.711 -0.245 4.542 1.00 0.83 H new ATOM 0 HD3 PRO A 7 12.812 -1.560 4.182 1.00 0.83 H new ATOM 92 N GLU A 8 9.544 0.990 2.598 1.00 0.60 N ATOM 93 CA GLU A 8 8.854 2.243 2.339 1.00 0.60 C ATOM 94 C GLU A 8 9.459 2.968 1.152 1.00 0.57 C ATOM 95 O GLU A 8 8.870 3.907 0.628 1.00 0.72 O ATOM 96 CB GLU A 8 8.880 3.119 3.583 1.00 0.78 C ATOM 97 CG GLU A 8 7.974 2.598 4.679 1.00 0.59 C ATOM 98 CD GLU A 8 8.355 3.132 6.041 1.00 0.81 C ATOM 99 OE1 GLU A 8 7.908 4.246 6.382 1.00 1.12 O ATOM 100 OE2 GLU A 8 9.090 2.446 6.776 1.00 1.20 O ATOM 0 H GLU A 8 10.147 1.007 3.420 1.00 0.60 H new ATOM 0 HA GLU A 8 7.816 2.020 2.091 1.00 0.60 H new ATOM 0 HB2 GLU A 8 9.901 3.180 3.959 1.00 0.78 H new ATOM 0 HB3 GLU A 8 8.577 4.132 3.317 1.00 0.78 H new ATOM 0 HG2 GLU A 8 6.943 2.875 4.458 1.00 0.59 H new ATOM 0 HG3 GLU A 8 8.015 1.509 4.694 1.00 0.59 H new ATOM 107 N VAL A 9 10.631 2.521 0.721 1.00 0.46 N ATOM 108 CA VAL A 9 11.208 3.000 -0.523 1.00 0.49 C ATOM 109 C VAL A 9 10.291 2.607 -1.680 1.00 0.42 C ATOM 110 O VAL A 9 10.239 3.277 -2.711 1.00 0.54 O ATOM 111 CB VAL A 9 12.636 2.442 -0.735 1.00 0.52 C ATOM 112 CG1 VAL A 9 13.203 2.840 -2.090 1.00 0.60 C ATOM 113 CG2 VAL A 9 13.550 2.927 0.381 1.00 0.61 C ATOM 0 H VAL A 9 11.197 1.830 1.214 1.00 0.46 H new ATOM 0 HA VAL A 9 11.294 4.086 -0.480 1.00 0.49 H new ATOM 0 HB VAL A 9 12.578 1.354 -0.712 1.00 0.52 H new ATOM 0 HG11 VAL A 9 14.206 2.429 -2.200 1.00 0.60 H new ATOM 0 HG12 VAL A 9 12.563 2.450 -2.881 1.00 0.60 H new ATOM 0 HG13 VAL A 9 13.247 3.927 -2.161 1.00 0.60 H new ATOM 0 HG21 VAL A 9 14.554 2.531 0.227 1.00 0.61 H new ATOM 0 HG22 VAL A 9 13.585 4.016 0.375 1.00 0.61 H new ATOM 0 HG23 VAL A 9 13.167 2.581 1.341 1.00 0.61 H new ATOM 123 N ARG A 10 9.547 1.516 -1.486 1.00 0.31 N ATOM 124 CA ARG A 10 8.514 1.123 -2.440 1.00 0.30 C ATOM 125 C ARG A 10 7.133 1.505 -1.903 1.00 0.21 C ATOM 126 O ARG A 10 6.310 2.120 -2.600 1.00 0.18 O ATOM 127 CB ARG A 10 8.563 -0.390 -2.704 1.00 0.39 C ATOM 128 CG ARG A 10 9.968 -0.927 -2.946 1.00 0.52 C ATOM 129 CD ARG A 10 10.684 -0.168 -4.058 1.00 0.71 C ATOM 130 NE ARG A 10 9.934 -0.166 -5.314 1.00 1.28 N ATOM 131 CZ ARG A 10 9.993 0.818 -6.214 1.00 1.73 C ATOM 132 NH1 ARG A 10 10.766 1.883 -6.002 1.00 1.45 N ATOM 133 NH2 ARG A 10 9.269 0.745 -7.320 1.00 2.74 N ATOM 0 H ARG A 10 9.641 0.895 -0.683 1.00 0.31 H new ATOM 0 HA ARG A 10 8.698 1.648 -3.378 1.00 0.30 H new ATOM 0 HB2 ARG A 10 8.126 -0.912 -1.853 1.00 0.39 H new ATOM 0 HB3 ARG A 10 7.943 -0.618 -3.571 1.00 0.39 H new ATOM 0 HG2 ARG A 10 10.548 -0.855 -2.026 1.00 0.52 H new ATOM 0 HG3 ARG A 10 9.913 -1.984 -3.206 1.00 0.52 H new ATOM 0 HD2 ARG A 10 10.854 0.860 -3.739 1.00 0.71 H new ATOM 0 HD3 ARG A 10 11.664 -0.616 -4.225 1.00 0.71 H new ATOM 0 HE ARG A 10 9.330 -0.964 -5.514 1.00 1.28 H new ATOM 0 HH11 ARG A 10 11.318 1.950 -5.147 1.00 1.45 H new ATOM 0 HH12 ARG A 10 10.805 2.631 -6.695 1.00 1.45 H new ATOM 0 HH21 ARG A 10 8.667 -0.062 -7.483 1.00 2.74 H new ATOM 0 HH22 ARG A 10 9.313 1.496 -8.009 1.00 2.74 H new ATOM 147 N PHE A 11 6.903 1.152 -0.642 1.00 0.19 N ATOM 148 CA PHE A 11 5.609 1.329 -0.005 1.00 0.17 C ATOM 149 C PHE A 11 5.206 2.785 0.076 1.00 0.15 C ATOM 150 O PHE A 11 4.151 3.142 -0.409 1.00 0.12 O ATOM 151 CB PHE A 11 5.603 0.731 1.404 1.00 0.22 C ATOM 152 CG PHE A 11 5.607 -0.771 1.444 1.00 0.21 C ATOM 153 CD1 PHE A 11 5.646 -1.499 0.266 1.00 0.56 C ATOM 154 CD2 PHE A 11 5.585 -1.459 2.648 1.00 0.44 C ATOM 155 CE1 PHE A 11 5.662 -2.878 0.286 1.00 0.56 C ATOM 156 CE2 PHE A 11 5.605 -2.839 2.673 1.00 0.46 C ATOM 157 CZ PHE A 11 5.590 -3.547 1.543 1.00 0.23 C ATOM 0 H PHE A 11 7.610 0.736 -0.036 1.00 0.19 H new ATOM 0 HA PHE A 11 4.886 0.804 -0.630 1.00 0.17 H new ATOM 0 HB2 PHE A 11 6.475 1.098 1.945 1.00 0.22 H new ATOM 0 HB3 PHE A 11 4.723 1.094 1.935 1.00 0.22 H new ATOM 0 HD1 PHE A 11 5.664 -0.980 -0.681 1.00 0.56 H new ATOM 0 HD2 PHE A 11 5.552 -0.909 3.577 1.00 0.44 H new ATOM 0 HE1 PHE A 11 5.728 -3.441 -0.634 1.00 0.56 H new ATOM 0 HE2 PHE A 11 5.633 -3.353 3.622 1.00 0.46 H new ATOM 0 HZ PHE A 11 5.523 -4.624 1.580 1.00 0.23 H new ATOM 167 N GLN A 12 6.052 3.624 0.661 1.00 0.20 N ATOM 168 CA GLN A 12 5.685 5.016 0.913 1.00 0.22 C ATOM 169 C GLN A 12 5.330 5.731 -0.383 1.00 0.20 C ATOM 170 O GLN A 12 4.408 6.533 -0.415 1.00 0.21 O ATOM 171 CB GLN A 12 6.799 5.769 1.640 1.00 0.32 C ATOM 172 CG GLN A 12 6.394 7.171 2.080 1.00 0.36 C ATOM 173 CD GLN A 12 7.523 7.944 2.741 1.00 0.54 C ATOM 174 OE1 GLN A 12 8.751 7.682 2.322 1.00 1.14 O flip ATOM 175 NE2 GLN A 12 7.293 8.777 3.615 1.00 1.26 N flip ATOM 0 H GLN A 12 6.991 3.370 0.969 1.00 0.20 H new ATOM 0 HA GLN A 12 4.806 5.004 1.558 1.00 0.22 H new ATOM 0 HB2 GLN A 12 7.104 5.195 2.515 1.00 0.32 H new ATOM 0 HB3 GLN A 12 7.668 5.838 0.986 1.00 0.32 H new ATOM 0 HG2 GLN A 12 6.041 7.728 1.213 1.00 0.36 H new ATOM 0 HG3 GLN A 12 5.557 7.099 2.775 1.00 0.36 H new ATOM 0 HE21 GLN A 12 6.333 8.952 3.913 1.00 1.26 H new ATOM 0 HE22 GLN A 12 8.062 9.293 4.043 1.00 1.26 H new ATOM 184 N GLN A 13 6.037 5.412 -1.457 1.00 0.21 N ATOM 185 CA GLN A 13 5.755 6.027 -2.750 1.00 0.23 C ATOM 186 C GLN A 13 4.366 5.634 -3.218 1.00 0.19 C ATOM 187 O GLN A 13 3.588 6.457 -3.712 1.00 0.21 O ATOM 188 CB GLN A 13 6.812 5.622 -3.779 1.00 0.28 C ATOM 189 CG GLN A 13 8.194 6.138 -3.429 1.00 0.37 C ATOM 190 CD GLN A 13 8.174 7.615 -3.157 1.00 0.59 C ATOM 191 OE1 GLN A 13 8.356 8.431 -4.057 1.00 1.19 O ATOM 192 NE2 GLN A 13 7.943 7.966 -1.916 1.00 0.44 N ATOM 0 H GLN A 13 6.803 4.738 -1.462 1.00 0.21 H new ATOM 0 HA GLN A 13 5.791 7.111 -2.641 1.00 0.23 H new ATOM 0 HB2 GLN A 13 6.842 4.535 -3.855 1.00 0.28 H new ATOM 0 HB3 GLN A 13 6.524 6.002 -4.759 1.00 0.28 H new ATOM 0 HG2 GLN A 13 8.570 5.610 -2.553 1.00 0.37 H new ATOM 0 HG3 GLN A 13 8.881 5.926 -4.248 1.00 0.37 H new ATOM 0 HE21 GLN A 13 7.798 7.252 -1.203 1.00 0.44 H new ATOM 0 HE22 GLN A 13 7.908 8.954 -1.663 1.00 0.44 H new ATOM 201 N GLN A 14 4.043 4.373 -3.014 1.00 0.16 N ATOM 202 CA GLN A 14 2.710 3.881 -3.321 1.00 0.15 C ATOM 203 C GLN A 14 1.699 4.347 -2.269 1.00 0.13 C ATOM 204 O GLN A 14 0.498 4.398 -2.529 1.00 0.14 O ATOM 205 CB GLN A 14 2.711 2.362 -3.418 1.00 0.16 C ATOM 206 CG GLN A 14 3.168 1.837 -4.769 1.00 0.22 C ATOM 207 CD GLN A 14 3.427 0.349 -4.751 1.00 0.53 C ATOM 208 OE1 GLN A 14 2.553 -0.455 -5.035 1.00 1.24 O ATOM 209 NE2 GLN A 14 4.634 -0.031 -4.405 1.00 0.37 N ATOM 0 H GLN A 14 4.680 3.671 -2.639 1.00 0.16 H new ATOM 0 HA GLN A 14 2.412 4.292 -4.286 1.00 0.15 H new ATOM 0 HB2 GLN A 14 3.361 1.958 -2.642 1.00 0.16 H new ATOM 0 HB3 GLN A 14 1.705 1.993 -3.216 1.00 0.16 H new ATOM 0 HG2 GLN A 14 2.409 2.062 -5.519 1.00 0.22 H new ATOM 0 HG3 GLN A 14 4.077 2.358 -5.069 1.00 0.22 H new ATOM 0 HE21 GLN A 14 5.342 0.666 -4.174 1.00 0.37 H new ATOM 0 HE22 GLN A 14 4.865 -1.024 -4.367 1.00 0.37 H new ATOM 218 N LEU A 15 2.192 4.706 -1.088 1.00 0.13 N ATOM 219 CA LEU A 15 1.335 5.195 -0.019 1.00 0.13 C ATOM 220 C LEU A 15 0.903 6.615 -0.301 1.00 0.15 C ATOM 221 O LEU A 15 -0.214 6.991 0.021 1.00 0.17 O ATOM 222 CB LEU A 15 2.028 5.140 1.346 1.00 0.15 C ATOM 223 CG LEU A 15 2.420 3.744 1.822 1.00 0.14 C ATOM 224 CD1 LEU A 15 2.774 3.751 3.296 1.00 0.20 C ATOM 225 CD2 LEU A 15 1.306 2.757 1.553 1.00 0.16 C ATOM 0 H LEU A 15 3.183 4.667 -0.849 1.00 0.13 H new ATOM 0 HA LEU A 15 0.464 4.540 0.016 1.00 0.13 H new ATOM 0 HB2 LEU A 15 2.925 5.757 1.305 1.00 0.15 H new ATOM 0 HB3 LEU A 15 1.367 5.587 2.089 1.00 0.15 H new ATOM 0 HG LEU A 15 3.302 3.434 1.262 1.00 0.14 H new ATOM 0 HD11 LEU A 15 3.049 2.744 3.609 1.00 0.20 H new ATOM 0 HD12 LEU A 15 3.613 4.426 3.465 1.00 0.20 H new ATOM 0 HD13 LEU A 15 1.914 4.088 3.875 1.00 0.20 H new ATOM 0 HD21 LEU A 15 1.605 1.768 1.899 1.00 0.16 H new ATOM 0 HD22 LEU A 15 0.406 3.071 2.083 1.00 0.16 H new ATOM 0 HD23 LEU A 15 1.103 2.721 0.483 1.00 0.16 H new ATOM 237 N GLU A 16 1.804 7.401 -0.878 1.00 0.16 N ATOM 238 CA GLU A 16 1.485 8.751 -1.316 1.00 0.19 C ATOM 239 C GLU A 16 0.625 8.701 -2.568 1.00 0.16 C ATOM 240 O GLU A 16 -0.161 9.607 -2.845 1.00 0.17 O ATOM 241 CB GLU A 16 2.765 9.534 -1.569 1.00 0.28 C ATOM 242 CG GLU A 16 3.704 9.501 -0.381 1.00 0.37 C ATOM 243 CD GLU A 16 4.912 10.398 -0.557 1.00 0.54 C ATOM 244 OE1 GLU A 16 4.741 11.638 -0.533 1.00 0.88 O ATOM 245 OE2 GLU A 16 6.036 9.873 -0.698 1.00 0.62 O ATOM 0 H GLU A 16 2.769 7.122 -1.054 1.00 0.16 H new ATOM 0 HA GLU A 16 0.923 9.259 -0.532 1.00 0.19 H new ATOM 0 HB2 GLU A 16 3.273 9.124 -2.442 1.00 0.28 H new ATOM 0 HB3 GLU A 16 2.515 10.569 -1.803 1.00 0.28 H new ATOM 0 HG2 GLU A 16 3.160 9.804 0.514 1.00 0.37 H new ATOM 0 HG3 GLU A 16 4.039 8.477 -0.218 1.00 0.37 H new ATOM 252 N GLN A 17 0.767 7.618 -3.305 1.00 0.15 N ATOM 253 CA GLN A 17 -0.099 7.353 -4.433 1.00 0.17 C ATOM 254 C GLN A 17 -1.519 7.088 -3.941 1.00 0.17 C ATOM 255 O GLN A 17 -2.467 7.713 -4.403 1.00 0.22 O ATOM 256 CB GLN A 17 0.419 6.157 -5.200 1.00 0.18 C ATOM 257 CG GLN A 17 -0.366 5.853 -6.465 1.00 0.27 C ATOM 258 CD GLN A 17 0.342 4.877 -7.385 1.00 0.27 C ATOM 259 OE1 GLN A 17 1.112 3.965 -6.814 1.00 0.37 O flip ATOM 260 NE2 GLN A 17 0.195 4.940 -8.603 1.00 0.18 N flip ATOM 0 H GLN A 17 1.478 6.905 -3.141 1.00 0.15 H new ATOM 0 HA GLN A 17 -0.111 8.220 -5.093 1.00 0.17 H new ATOM 0 HB2 GLN A 17 1.462 6.330 -5.464 1.00 0.18 H new ATOM 0 HB3 GLN A 17 0.396 5.282 -4.550 1.00 0.18 H new ATOM 0 HG2 GLN A 17 -1.339 5.445 -6.192 1.00 0.27 H new ATOM 0 HG3 GLN A 17 -0.550 6.783 -7.004 1.00 0.27 H new ATOM 0 HE21 GLN A 17 -0.407 5.657 -9.008 1.00 0.18 H new ATOM 0 HE22 GLN A 17 0.675 4.275 -9.210 1.00 0.18 H new ATOM 269 N LEU A 18 -1.653 6.180 -2.972 1.00 0.14 N ATOM 270 CA LEU A 18 -2.944 5.903 -2.350 1.00 0.14 C ATOM 271 C LEU A 18 -3.428 7.143 -1.643 1.00 0.13 C ATOM 272 O LEU A 18 -4.618 7.428 -1.577 1.00 0.15 O ATOM 273 CB LEU A 18 -2.825 4.786 -1.325 1.00 0.12 C ATOM 274 CG LEU A 18 -2.786 3.371 -1.862 1.00 0.14 C ATOM 275 CD1 LEU A 18 -2.527 2.440 -0.709 1.00 0.16 C ATOM 276 CD2 LEU A 18 -4.094 3.011 -2.537 1.00 0.17 C ATOM 0 H LEU A 18 -0.881 5.625 -2.603 1.00 0.14 H new ATOM 0 HA LEU A 18 -3.642 5.600 -3.130 1.00 0.14 H new ATOM 0 HB2 LEU A 18 -1.919 4.954 -0.743 1.00 0.12 H new ATOM 0 HB3 LEU A 18 -3.666 4.865 -0.636 1.00 0.12 H new ATOM 0 HG LEU A 18 -1.995 3.285 -2.607 1.00 0.14 H new ATOM 0 HD11 LEU A 18 -2.494 1.412 -1.071 1.00 0.16 H new ATOM 0 HD12 LEU A 18 -1.573 2.692 -0.245 1.00 0.16 H new ATOM 0 HD13 LEU A 18 -3.326 2.540 0.026 1.00 0.16 H new ATOM 0 HD21 LEU A 18 -4.040 1.990 -2.914 1.00 0.17 H new ATOM 0 HD22 LEU A 18 -4.909 3.089 -1.817 1.00 0.17 H new ATOM 0 HD23 LEU A 18 -4.276 3.695 -3.366 1.00 0.17 H new ATOM 288 N ASN A 19 -2.468 7.862 -1.106 1.00 0.13 N ATOM 289 CA ASN A 19 -2.698 9.139 -0.451 1.00 0.15 C ATOM 290 C ASN A 19 -3.447 10.079 -1.379 1.00 0.18 C ATOM 291 O ASN A 19 -4.300 10.856 -0.962 1.00 0.20 O ATOM 292 CB ASN A 19 -1.343 9.741 -0.083 1.00 0.17 C ATOM 293 CG ASN A 19 -1.418 10.881 0.912 1.00 0.22 C ATOM 294 OD1 ASN A 19 -1.364 10.662 2.122 1.00 0.25 O ATOM 295 ND2 ASN A 19 -1.511 12.104 0.412 1.00 0.25 N ATOM 0 H ASN A 19 -1.489 7.575 -1.110 1.00 0.13 H new ATOM 0 HA ASN A 19 -3.301 8.992 0.445 1.00 0.15 H new ATOM 0 HB2 ASN A 19 -0.709 8.956 0.329 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -0.858 10.098 -0.992 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -1.540 12.910 1.037 1.00 0.25 H new ATOM 0 HD22 ASN A 19 -1.553 12.240 -0.598 1.00 0.25 H new ATOM 302 N SER A 20 -3.134 9.956 -2.651 1.00 0.21 N ATOM 303 CA SER A 20 -3.713 10.808 -3.682 1.00 0.26 C ATOM 304 C SER A 20 -5.030 10.205 -4.174 1.00 0.26 C ATOM 305 O SER A 20 -5.760 10.806 -4.961 1.00 0.34 O ATOM 306 CB SER A 20 -2.722 10.963 -4.840 1.00 0.36 C ATOM 307 OG SER A 20 -3.020 12.104 -5.629 1.00 0.66 O ATOM 0 H SER A 20 -2.472 9.265 -3.005 1.00 0.21 H new ATOM 0 HA SER A 20 -3.919 11.794 -3.266 1.00 0.26 H new ATOM 0 HB2 SER A 20 -1.709 11.046 -4.445 1.00 0.36 H new ATOM 0 HB3 SER A 20 -2.748 10.070 -5.465 1.00 0.36 H new ATOM 0 HG SER A 20 -3.992 12.201 -5.710 1.00 0.66 H new ATOM 313 N MET A 21 -5.313 9.008 -3.686 1.00 0.22 N ATOM 314 CA MET A 21 -6.509 8.263 -4.056 1.00 0.24 C ATOM 315 C MET A 21 -7.578 8.446 -2.997 1.00 0.25 C ATOM 316 O MET A 21 -8.699 7.960 -3.137 1.00 0.38 O ATOM 317 CB MET A 21 -6.160 6.780 -4.179 1.00 0.24 C ATOM 318 CG MET A 21 -5.049 6.507 -5.170 1.00 0.30 C ATOM 319 SD MET A 21 -5.653 5.855 -6.736 1.00 0.79 S ATOM 320 CE MET A 21 -6.403 4.332 -6.176 1.00 1.41 C ATOM 0 H MET A 21 -4.716 8.521 -3.017 1.00 0.22 H new ATOM 0 HA MET A 21 -6.885 8.633 -5.010 1.00 0.24 H new ATOM 0 HB2 MET A 21 -5.866 6.401 -3.200 1.00 0.24 H new ATOM 0 HB3 MET A 21 -7.050 6.228 -4.481 1.00 0.24 H new ATOM 0 HG2 MET A 21 -4.498 7.429 -5.354 1.00 0.30 H new ATOM 0 HG3 MET A 21 -4.346 5.798 -4.734 1.00 0.30 H new ATOM 0 HE1 MET A 21 -6.621 3.696 -7.034 1.00 1.41 H new ATOM 0 HE2 MET A 21 -5.717 3.814 -5.505 1.00 1.41 H new ATOM 0 HE3 MET A 21 -7.329 4.556 -5.646 1.00 1.41 H new ATOM 330 N GLY A 22 -7.205 9.137 -1.929 1.00 0.18 N ATOM 331 CA GLY A 22 -8.107 9.338 -0.821 1.00 0.18 C ATOM 332 C GLY A 22 -7.881 8.312 0.263 1.00 0.16 C ATOM 333 O GLY A 22 -8.741 8.087 1.115 1.00 0.19 O ATOM 0 H GLY A 22 -6.286 9.564 -1.813 1.00 0.18 H new ATOM 0 HA2 GLY A 22 -7.967 10.339 -0.412 1.00 0.18 H new ATOM 0 HA3 GLY A 22 -9.137 9.278 -1.172 1.00 0.18 H new ATOM 337 N PHE A 23 -6.721 7.680 0.219 1.00 0.14 N ATOM 338 CA PHE A 23 -6.337 6.702 1.218 1.00 0.14 C ATOM 339 C PHE A 23 -5.160 7.227 2.026 1.00 0.11 C ATOM 340 O PHE A 23 -4.041 7.322 1.529 1.00 0.11 O ATOM 341 CB PHE A 23 -5.982 5.381 0.537 1.00 0.16 C ATOM 342 CG PHE A 23 -7.179 4.636 0.031 1.00 0.21 C ATOM 343 CD1 PHE A 23 -8.009 3.963 0.910 1.00 0.25 C ATOM 344 CD2 PHE A 23 -7.470 4.601 -1.322 1.00 0.30 C ATOM 345 CE1 PHE A 23 -9.109 3.269 0.450 1.00 0.32 C ATOM 346 CE2 PHE A 23 -8.571 3.909 -1.789 1.00 0.37 C ATOM 347 CZ PHE A 23 -9.404 3.269 -0.912 1.00 0.36 C ATOM 0 H PHE A 23 -6.022 7.831 -0.508 1.00 0.14 H new ATOM 0 HA PHE A 23 -7.171 6.527 1.897 1.00 0.14 H new ATOM 0 HB2 PHE A 23 -5.307 5.579 -0.296 1.00 0.16 H new ATOM 0 HB3 PHE A 23 -5.441 4.750 1.242 1.00 0.16 H new ATOM 0 HD1 PHE A 23 -7.793 3.981 1.968 1.00 0.25 H new ATOM 0 HD2 PHE A 23 -6.830 5.120 -2.020 1.00 0.30 H new ATOM 0 HE1 PHE A 23 -9.738 2.729 1.142 1.00 0.32 H new ATOM 0 HE2 PHE A 23 -8.775 3.873 -2.849 1.00 0.37 H new ATOM 0 HZ PHE A 23 -10.288 2.765 -1.274 1.00 0.36 H new ATOM 357 N ILE A 24 -5.419 7.564 3.276 1.00 0.12 N ATOM 358 CA ILE A 24 -4.428 8.221 4.115 1.00 0.12 C ATOM 359 C ILE A 24 -4.231 7.486 5.425 1.00 0.15 C ATOM 360 O ILE A 24 -3.425 7.898 6.262 1.00 0.23 O ATOM 361 CB ILE A 24 -4.763 9.704 4.410 1.00 0.14 C ATOM 362 CG1 ILE A 24 -6.279 9.945 4.491 1.00 0.13 C ATOM 363 CG2 ILE A 24 -4.132 10.605 3.363 1.00 0.19 C ATOM 364 CD1 ILE A 24 -6.950 10.115 3.142 1.00 0.14 C ATOM 0 H ILE A 24 -6.313 7.393 3.737 1.00 0.12 H new ATOM 0 HA ILE A 24 -3.503 8.196 3.538 1.00 0.12 H new ATOM 0 HB ILE A 24 -4.345 9.949 5.386 1.00 0.14 H new ATOM 0 HG12 ILE A 24 -6.742 9.107 5.013 1.00 0.13 H new ATOM 0 HG13 ILE A 24 -6.463 10.836 5.092 1.00 0.13 H new ATOM 0 HG21 ILE A 24 -4.376 11.644 3.583 1.00 0.19 H new ATOM 0 HG22 ILE A 24 -3.050 10.475 3.376 1.00 0.19 H new ATOM 0 HG23 ILE A 24 -4.517 10.343 2.378 1.00 0.19 H new ATOM 0 HD11 ILE A 24 -8.018 10.281 3.285 1.00 0.14 H new ATOM 0 HD12 ILE A 24 -6.516 10.971 2.625 1.00 0.14 H new ATOM 0 HD13 ILE A 24 -6.799 9.216 2.545 1.00 0.14 H new ATOM 376 N ASN A 25 -4.946 6.389 5.599 1.00 0.18 N ATOM 377 CA ASN A 25 -4.695 5.518 6.723 1.00 0.21 C ATOM 378 C ASN A 25 -3.454 4.730 6.404 1.00 0.18 C ATOM 379 O ASN A 25 -3.539 3.624 5.881 1.00 0.17 O ATOM 380 CB ASN A 25 -5.859 4.557 6.995 1.00 0.28 C ATOM 381 CG ASN A 25 -6.277 4.554 8.455 1.00 1.19 C ATOM 382 OD1 ASN A 25 -7.109 5.357 8.870 1.00 1.80 O ATOM 383 ND2 ASN A 25 -5.711 3.650 9.243 1.00 1.84 N ATOM 0 H ASN A 25 -5.698 6.086 4.980 1.00 0.18 H new ATOM 0 HA ASN A 25 -4.576 6.123 7.622 1.00 0.21 H new ATOM 0 HB2 ASN A 25 -6.711 4.838 6.376 1.00 0.28 H new ATOM 0 HB3 ASN A 25 -5.570 3.548 6.700 1.00 0.28 H new ATOM 0 HD21 ASN A 25 -5.963 3.605 10.230 1.00 1.84 H new ATOM 0 HD22 ASN A 25 -5.024 3.000 8.862 1.00 1.84 H new ATOM 390 N ARG A 26 -2.306 5.350 6.647 1.00 0.22 N ATOM 391 CA ARG A 26 -1.014 4.749 6.368 1.00 0.25 C ATOM 392 C ARG A 26 -0.999 3.292 6.767 1.00 0.23 C ATOM 393 O ARG A 26 -0.604 2.438 5.984 1.00 0.24 O ATOM 394 CB ARG A 26 0.067 5.477 7.140 1.00 0.45 C ATOM 395 CG ARG A 26 0.532 6.787 6.536 1.00 0.60 C ATOM 396 CD ARG A 26 1.035 6.612 5.117 1.00 0.51 C ATOM 397 NE ARG A 26 -0.059 6.679 4.153 1.00 0.95 N ATOM 398 CZ ARG A 26 -0.446 7.812 3.555 1.00 1.10 C ATOM 399 NH1 ARG A 26 0.224 8.939 3.758 1.00 1.42 N ATOM 400 NH2 ARG A 26 -1.502 7.816 2.754 1.00 1.63 N ATOM 0 H ARG A 26 -2.248 6.287 7.045 1.00 0.22 H new ATOM 0 HA ARG A 26 -0.830 4.827 5.297 1.00 0.25 H new ATOM 0 HB2 ARG A 26 -0.300 5.672 8.148 1.00 0.45 H new ATOM 0 HB3 ARG A 26 0.928 4.816 7.236 1.00 0.45 H new ATOM 0 HG2 ARG A 26 -0.291 7.502 6.543 1.00 0.60 H new ATOM 0 HG3 ARG A 26 1.326 7.209 7.152 1.00 0.60 H new ATOM 0 HD2 ARG A 26 1.769 7.386 4.891 1.00 0.51 H new ATOM 0 HD3 ARG A 26 1.545 5.653 5.026 1.00 0.51 H new ATOM 0 HE ARG A 26 -0.554 5.817 3.923 1.00 0.95 H new ATOM 0 HH11 ARG A 26 1.038 8.945 4.372 1.00 1.42 H new ATOM 0 HH12 ARG A 26 -0.075 9.800 3.300 1.00 1.42 H new ATOM 0 HH21 ARG A 26 -2.022 6.954 2.592 1.00 1.63 H new ATOM 0 HH22 ARG A 26 -1.794 8.681 2.300 1.00 1.63 H new ATOM 414 N GLU A 27 -1.456 3.045 7.986 1.00 0.25 N ATOM 415 CA GLU A 27 -1.594 1.699 8.529 1.00 0.29 C ATOM 416 C GLU A 27 -2.200 0.761 7.490 1.00 0.24 C ATOM 417 O GLU A 27 -1.583 -0.219 7.091 1.00 0.26 O ATOM 418 CB GLU A 27 -2.500 1.715 9.767 1.00 0.42 C ATOM 419 CG GLU A 27 -2.421 2.993 10.592 1.00 0.79 C ATOM 420 CD GLU A 27 -1.017 3.326 11.043 1.00 1.58 C ATOM 421 OE1 GLU A 27 -0.541 2.711 12.017 1.00 1.79 O ATOM 422 OE2 GLU A 27 -0.397 4.214 10.428 1.00 2.44 O ATOM 0 H GLU A 27 -1.744 3.779 8.633 1.00 0.25 H new ATOM 0 HA GLU A 27 -0.600 1.344 8.803 1.00 0.29 H new ATOM 0 HB2 GLU A 27 -3.532 1.567 9.448 1.00 0.42 H new ATOM 0 HB3 GLU A 27 -2.238 0.870 10.404 1.00 0.42 H new ATOM 0 HG2 GLU A 27 -2.813 3.822 10.003 1.00 0.79 H new ATOM 0 HG3 GLU A 27 -3.063 2.893 11.467 1.00 0.79 H new ATOM 429 N ALA A 28 -3.393 1.104 7.023 1.00 0.22 N ATOM 430 CA ALA A 28 -4.127 0.268 6.088 1.00 0.21 C ATOM 431 C ALA A 28 -3.424 0.224 4.738 1.00 0.15 C ATOM 432 O ALA A 28 -3.205 -0.854 4.187 1.00 0.14 O ATOM 433 CB ALA A 28 -5.554 0.769 5.936 1.00 0.26 C ATOM 0 H ALA A 28 -3.875 1.965 7.281 1.00 0.22 H new ATOM 0 HA ALA A 28 -4.159 -0.746 6.485 1.00 0.21 H new ATOM 0 HB1 ALA A 28 -6.090 0.132 5.232 1.00 0.26 H new ATOM 0 HB2 ALA A 28 -6.054 0.742 6.904 1.00 0.26 H new ATOM 0 HB3 ALA A 28 -5.542 1.793 5.562 1.00 0.26 H new ATOM 439 N ASN A 29 -3.071 1.407 4.223 1.00 0.14 N ATOM 440 CA ASN A 29 -2.345 1.537 2.963 1.00 0.10 C ATOM 441 C ASN A 29 -1.181 0.552 2.887 1.00 0.10 C ATOM 442 O ASN A 29 -1.182 -0.368 2.065 1.00 0.09 O ATOM 443 CB ASN A 29 -1.807 2.971 2.808 1.00 0.11 C ATOM 444 CG ASN A 29 -2.894 4.010 2.587 1.00 0.11 C ATOM 445 OD1 ASN A 29 -4.036 3.843 3.003 1.00 0.14 O ATOM 446 ND2 ASN A 29 -2.532 5.119 1.945 1.00 0.11 N ATOM 0 H ASN A 29 -3.282 2.299 4.671 1.00 0.14 H new ATOM 0 HA ASN A 29 -3.042 1.313 2.155 1.00 0.10 H new ATOM 0 HB2 ASN A 29 -1.240 3.235 3.700 1.00 0.11 H new ATOM 0 HB3 ASN A 29 -1.112 3.000 1.969 1.00 0.11 H new ATOM 0 HD21 ASN A 29 -3.213 5.862 1.786 1.00 0.11 H new ATOM 0 HD22 ASN A 29 -1.574 5.226 1.612 1.00 0.11 H new ATOM 453 N LEU A 30 -0.203 0.715 3.772 1.00 0.11 N ATOM 454 CA LEU A 30 1.013 -0.081 3.686 1.00 0.12 C ATOM 455 C LEU A 30 0.786 -1.523 4.108 1.00 0.11 C ATOM 456 O LEU A 30 1.487 -2.391 3.635 1.00 0.11 O ATOM 457 CB LEU A 30 2.185 0.549 4.465 1.00 0.17 C ATOM 458 CG LEU A 30 1.885 1.075 5.874 1.00 0.21 C ATOM 459 CD1 LEU A 30 1.682 -0.053 6.874 1.00 0.24 C ATOM 460 CD2 LEU A 30 3.004 1.990 6.345 1.00 0.27 C ATOM 0 H LEU A 30 -0.228 1.380 4.545 1.00 0.11 H new ATOM 0 HA LEU A 30 1.294 -0.089 2.633 1.00 0.12 H new ATOM 0 HB2 LEU A 30 2.978 -0.195 4.543 1.00 0.17 H new ATOM 0 HB3 LEU A 30 2.580 1.374 3.873 1.00 0.17 H new ATOM 0 HG LEU A 30 0.954 1.638 5.817 1.00 0.21 H new ATOM 0 HD11 LEU A 30 1.472 0.366 7.858 1.00 0.24 H new ATOM 0 HD12 LEU A 30 0.843 -0.673 6.558 1.00 0.24 H new ATOM 0 HD13 LEU A 30 2.585 -0.662 6.924 1.00 0.24 H new ATOM 0 HD21 LEU A 30 2.778 2.356 7.346 1.00 0.27 H new ATOM 0 HD22 LEU A 30 3.943 1.436 6.365 1.00 0.27 H new ATOM 0 HD23 LEU A 30 3.095 2.835 5.662 1.00 0.27 H new ATOM 472 N GLN A 31 -0.195 -1.792 4.973 1.00 0.11 N ATOM 473 CA GLN A 31 -0.517 -3.179 5.324 1.00 0.13 C ATOM 474 C GLN A 31 -0.939 -3.927 4.079 1.00 0.09 C ATOM 475 O GLN A 31 -0.620 -5.105 3.890 1.00 0.09 O ATOM 476 CB GLN A 31 -1.636 -3.249 6.356 1.00 0.20 C ATOM 477 CG GLN A 31 -1.175 -3.005 7.780 1.00 0.30 C ATOM 478 CD GLN A 31 -0.171 -4.033 8.266 1.00 1.19 C ATOM 479 OE1 GLN A 31 1.105 -3.724 8.125 1.00 1.52 O flip ATOM 480 NE2 GLN A 31 -0.542 -5.088 8.782 1.00 2.18 N flip ATOM 0 H GLN A 31 -0.769 -1.086 5.435 1.00 0.11 H new ATOM 0 HA GLN A 31 0.374 -3.634 5.756 1.00 0.13 H new ATOM 0 HB2 GLN A 31 -2.399 -2.514 6.101 1.00 0.20 H new ATOM 0 HB3 GLN A 31 -2.107 -4.230 6.300 1.00 0.20 H new ATOM 0 HG2 GLN A 31 -0.730 -2.012 7.846 1.00 0.30 H new ATOM 0 HG3 GLN A 31 -2.041 -3.011 8.442 1.00 0.30 H new ATOM 0 HE21 GLN A 31 -1.538 -5.289 8.872 1.00 2.18 H new ATOM 0 HE22 GLN A 31 0.147 -5.761 9.119 1.00 2.18 H new ATOM 489 N ALA A 32 -1.619 -3.206 3.211 1.00 0.09 N ATOM 490 CA ALA A 32 -2.095 -3.775 1.967 1.00 0.09 C ATOM 491 C ALA A 32 -0.915 -3.968 1.038 1.00 0.06 C ATOM 492 O ALA A 32 -0.850 -4.930 0.272 1.00 0.08 O ATOM 493 CB ALA A 32 -3.153 -2.883 1.335 1.00 0.12 C ATOM 0 H ALA A 32 -1.855 -2.223 3.345 1.00 0.09 H new ATOM 0 HA ALA A 32 -2.563 -4.741 2.160 1.00 0.09 H new ATOM 0 HB1 ALA A 32 -3.496 -3.330 0.402 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -3.996 -2.778 2.018 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.726 -1.901 1.131 1.00 0.12 H new ATOM 499 N LEU A 33 0.046 -3.064 1.153 1.00 0.05 N ATOM 500 CA LEU A 33 1.266 -3.150 0.384 1.00 0.08 C ATOM 501 C LEU A 33 2.200 -4.218 0.941 1.00 0.09 C ATOM 502 O LEU A 33 3.007 -4.765 0.207 1.00 0.12 O ATOM 503 CB LEU A 33 1.973 -1.800 0.335 1.00 0.11 C ATOM 504 CG LEU A 33 1.531 -0.891 -0.808 1.00 0.14 C ATOM 505 CD1 LEU A 33 0.404 0.038 -0.405 1.00 0.13 C ATOM 506 CD2 LEU A 33 2.712 -0.105 -1.323 1.00 0.20 C ATOM 0 H LEU A 33 -0.002 -2.259 1.778 1.00 0.05 H new ATOM 0 HA LEU A 33 0.994 -3.437 -0.632 1.00 0.08 H new ATOM 0 HB2 LEU A 33 1.804 -1.282 1.279 1.00 0.11 H new ATOM 0 HB3 LEU A 33 3.046 -1.970 0.252 1.00 0.11 H new ATOM 0 HG LEU A 33 1.143 -1.527 -1.604 1.00 0.14 H new ATOM 0 HD11 LEU A 33 0.127 0.663 -1.254 1.00 0.13 H new ATOM 0 HD12 LEU A 33 -0.458 -0.551 -0.091 1.00 0.13 H new ATOM 0 HD13 LEU A 33 0.731 0.671 0.420 1.00 0.13 H new ATOM 0 HD21 LEU A 33 2.390 0.542 -2.139 1.00 0.20 H new ATOM 0 HD22 LEU A 33 3.123 0.504 -0.518 1.00 0.20 H new ATOM 0 HD23 LEU A 33 3.477 -0.792 -1.685 1.00 0.20 H new ATOM 518 N ILE A 34 2.087 -4.528 2.229 1.00 0.08 N ATOM 519 CA ILE A 34 2.906 -5.580 2.826 1.00 0.11 C ATOM 520 C ILE A 34 2.393 -6.936 2.374 1.00 0.11 C ATOM 521 O ILE A 34 3.158 -7.885 2.197 1.00 0.19 O ATOM 522 CB ILE A 34 2.907 -5.532 4.373 1.00 0.16 C ATOM 523 CG1 ILE A 34 3.308 -4.141 4.875 1.00 0.20 C ATOM 524 CG2 ILE A 34 3.843 -6.592 4.936 1.00 0.22 C ATOM 525 CD1 ILE A 34 3.736 -4.096 6.328 1.00 0.34 C ATOM 0 H ILE A 34 1.443 -4.071 2.875 1.00 0.08 H new ATOM 0 HA ILE A 34 3.931 -5.418 2.491 1.00 0.11 H new ATOM 0 HB ILE A 34 1.896 -5.740 4.722 1.00 0.16 H new ATOM 0 HG12 ILE A 34 4.125 -3.767 4.257 1.00 0.20 H new ATOM 0 HG13 ILE A 34 2.467 -3.462 4.736 1.00 0.20 H new ATOM 0 HG21 ILE A 34 3.833 -6.545 6.025 1.00 0.22 H new ATOM 0 HG22 ILE A 34 3.512 -7.579 4.612 1.00 0.22 H new ATOM 0 HG23 ILE A 34 4.856 -6.412 4.575 1.00 0.22 H new ATOM 0 HD11 ILE A 34 4.002 -3.074 6.597 1.00 0.34 H new ATOM 0 HD12 ILE A 34 2.915 -4.436 6.960 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.599 -4.746 6.473 1.00 0.34 H new ATOM 537 N ALA A 35 1.087 -7.012 2.173 1.00 0.11 N ATOM 538 CA ALA A 35 0.457 -8.232 1.725 1.00 0.14 C ATOM 539 C ALA A 35 0.629 -8.420 0.217 1.00 0.12 C ATOM 540 O ALA A 35 0.569 -9.542 -0.284 1.00 0.19 O ATOM 541 CB ALA A 35 -1.007 -8.205 2.111 1.00 0.23 C ATOM 0 H ALA A 35 0.443 -6.234 2.316 1.00 0.11 H new ATOM 0 HA ALA A 35 0.938 -9.082 2.209 1.00 0.14 H new ATOM 0 HB1 ALA A 35 -1.489 -9.123 1.776 1.00 0.23 H new ATOM 0 HB2 ALA A 35 -1.096 -8.123 3.194 1.00 0.23 H new ATOM 0 HB3 ALA A 35 -1.491 -7.349 1.641 1.00 0.23 H new ATOM 547 N THR A 36 0.849 -7.321 -0.502 1.00 0.12 N ATOM 548 CA THR A 36 1.002 -7.382 -1.954 1.00 0.14 C ATOM 549 C THR A 36 2.462 -7.220 -2.390 1.00 0.14 C ATOM 550 O THR A 36 2.820 -7.562 -3.518 1.00 0.17 O ATOM 551 CB THR A 36 0.153 -6.294 -2.631 1.00 0.16 C ATOM 552 OG1 THR A 36 0.491 -5.006 -2.095 1.00 0.17 O ATOM 553 CG2 THR A 36 -1.327 -6.561 -2.411 1.00 0.17 C ATOM 0 H THR A 36 0.925 -6.384 -0.106 1.00 0.12 H new ATOM 0 HA THR A 36 0.660 -8.370 -2.264 1.00 0.14 H new ATOM 0 HB THR A 36 0.361 -6.309 -3.701 1.00 0.16 H new ATOM 0 HG1 THR A 36 -0.050 -4.832 -1.297 1.00 0.17 H new ATOM 0 HG21 THR A 36 -1.914 -5.781 -2.897 1.00 0.17 H new ATOM 0 HG22 THR A 36 -1.589 -7.530 -2.836 1.00 0.17 H new ATOM 0 HG23 THR A 36 -1.541 -6.563 -1.342 1.00 0.17 H new ATOM 561 N GLY A 37 3.294 -6.694 -1.497 1.00 0.14 N ATOM 562 CA GLY A 37 4.703 -6.504 -1.795 1.00 0.17 C ATOM 563 C GLY A 37 4.951 -5.417 -2.820 1.00 0.20 C ATOM 564 O GLY A 37 5.902 -5.499 -3.600 1.00 0.29 O ATOM 0 H GLY A 37 3.014 -6.393 -0.563 1.00 0.14 H new ATOM 0 HA2 GLY A 37 5.233 -6.256 -0.875 1.00 0.17 H new ATOM 0 HA3 GLY A 37 5.121 -7.442 -2.160 1.00 0.17 H new ATOM 568 N GLY A 38 4.103 -4.393 -2.830 1.00 0.17 N ATOM 569 CA GLY A 38 4.325 -3.288 -3.722 1.00 0.25 C ATOM 570 C GLY A 38 3.553 -3.450 -4.998 1.00 0.21 C ATOM 571 O GLY A 38 4.030 -3.107 -6.078 1.00 0.37 O ATOM 0 H GLY A 38 3.275 -4.316 -2.239 1.00 0.17 H new ATOM 0 HA2 GLY A 38 4.031 -2.359 -3.233 1.00 0.25 H new ATOM 0 HA3 GLY A 38 5.389 -3.208 -3.946 1.00 0.25 H new ATOM 575 N ASP A 39 2.353 -3.973 -4.860 1.00 0.11 N ATOM 576 CA ASP A 39 1.423 -4.043 -5.963 1.00 0.14 C ATOM 577 C ASP A 39 0.228 -3.248 -5.549 1.00 0.13 C ATOM 578 O ASP A 39 -0.718 -3.760 -4.947 1.00 0.16 O ATOM 579 CB ASP A 39 1.005 -5.466 -6.321 1.00 0.20 C ATOM 580 CG ASP A 39 0.226 -5.507 -7.629 1.00 0.28 C ATOM 581 OD1 ASP A 39 -0.872 -4.909 -7.706 1.00 0.52 O ATOM 582 OD2 ASP A 39 0.733 -6.110 -8.595 1.00 0.64 O ATOM 0 H ASP A 39 1.998 -4.359 -3.985 1.00 0.11 H new ATOM 0 HA ASP A 39 1.902 -3.651 -6.860 1.00 0.14 H new ATOM 0 HB2 ASP A 39 1.890 -6.096 -6.404 1.00 0.20 H new ATOM 0 HB3 ASP A 39 0.393 -5.879 -5.519 1.00 0.20 H new ATOM 587 N ILE A 40 0.320 -1.978 -5.823 1.00 0.15 N ATOM 588 CA ILE A 40 -0.579 -1.021 -5.262 1.00 0.17 C ATOM 589 C ILE A 40 -2.004 -1.232 -5.756 1.00 0.19 C ATOM 590 O ILE A 40 -2.944 -0.891 -5.061 1.00 0.22 O ATOM 591 CB ILE A 40 -0.073 0.402 -5.541 1.00 0.20 C ATOM 592 CG1 ILE A 40 -0.534 1.331 -4.421 1.00 0.25 C ATOM 593 CG2 ILE A 40 -0.503 0.891 -6.923 1.00 0.29 C ATOM 594 CD1 ILE A 40 -1.386 2.505 -4.869 1.00 0.52 C ATOM 0 H ILE A 40 1.024 -1.580 -6.444 1.00 0.15 H new ATOM 0 HA ILE A 40 -0.607 -1.163 -4.182 1.00 0.17 H new ATOM 0 HB ILE A 40 1.017 0.399 -5.554 1.00 0.20 H new ATOM 0 HG12 ILE A 40 -1.100 0.747 -3.695 1.00 0.25 H new ATOM 0 HG13 ILE A 40 0.345 1.716 -3.904 1.00 0.25 H new ATOM 0 HG21 ILE A 40 -0.127 1.901 -7.085 1.00 0.29 H new ATOM 0 HG22 ILE A 40 -0.098 0.226 -7.686 1.00 0.29 H new ATOM 0 HG23 ILE A 40 -1.591 0.895 -6.985 1.00 0.29 H new ATOM 0 HD11 ILE A 40 -1.663 3.105 -4.002 1.00 0.52 H new ATOM 0 HD12 ILE A 40 -0.820 3.119 -5.570 1.00 0.52 H new ATOM 0 HD13 ILE A 40 -2.288 2.135 -5.357 1.00 0.52 H new ATOM 606 N ASN A 41 -2.159 -1.848 -6.925 1.00 0.19 N ATOM 607 CA ASN A 41 -3.480 -2.155 -7.463 1.00 0.26 C ATOM 608 C ASN A 41 -4.191 -3.103 -6.513 1.00 0.24 C ATOM 609 O ASN A 41 -5.330 -2.863 -6.093 1.00 0.26 O ATOM 610 CB ASN A 41 -3.380 -2.816 -8.848 1.00 0.33 C ATOM 611 CG ASN A 41 -2.326 -2.191 -9.738 1.00 0.68 C ATOM 612 OD1 ASN A 41 -2.572 -1.189 -10.415 1.00 1.29 O ATOM 613 ND2 ASN A 41 -1.145 -2.795 -9.756 1.00 0.64 N ATOM 0 H ASN A 41 -1.384 -2.145 -7.518 1.00 0.19 H new ATOM 0 HA ASN A 41 -4.035 -1.223 -7.567 1.00 0.26 H new ATOM 0 HB2 ASN A 41 -3.157 -3.875 -8.722 1.00 0.33 H new ATOM 0 HB3 ASN A 41 -4.348 -2.752 -9.344 1.00 0.33 H new ATOM 0 HD21 ASN A 41 -0.396 -2.433 -10.346 1.00 0.64 H new ATOM 0 HD22 ASN A 41 -0.986 -3.621 -9.180 1.00 0.64 H new ATOM 620 N ALA A 42 -3.486 -4.171 -6.158 1.00 0.22 N ATOM 621 CA ALA A 42 -4.000 -5.153 -5.226 1.00 0.22 C ATOM 622 C ALA A 42 -4.096 -4.557 -3.827 1.00 0.22 C ATOM 623 O ALA A 42 -4.975 -4.917 -3.053 1.00 0.29 O ATOM 624 CB ALA A 42 -3.132 -6.399 -5.234 1.00 0.22 C ATOM 0 H ALA A 42 -2.550 -4.375 -6.508 1.00 0.22 H new ATOM 0 HA ALA A 42 -5.003 -5.442 -5.539 1.00 0.22 H new ATOM 0 HB1 ALA A 42 -3.533 -7.126 -4.528 1.00 0.22 H new ATOM 0 HB2 ALA A 42 -3.125 -6.831 -6.235 1.00 0.22 H new ATOM 0 HB3 ALA A 42 -2.115 -6.136 -4.945 1.00 0.22 H new ATOM 630 N ALA A 43 -3.187 -3.640 -3.500 1.00 0.17 N ATOM 631 CA ALA A 43 -3.283 -2.891 -2.254 1.00 0.19 C ATOM 632 C ALA A 43 -4.630 -2.170 -2.153 1.00 0.22 C ATOM 633 O ALA A 43 -5.330 -2.296 -1.149 1.00 0.24 O ATOM 634 CB ALA A 43 -2.135 -1.900 -2.138 1.00 0.19 C ATOM 0 H ALA A 43 -2.381 -3.401 -4.078 1.00 0.17 H new ATOM 0 HA ALA A 43 -3.214 -3.597 -1.426 1.00 0.19 H new ATOM 0 HB1 ALA A 43 -2.223 -1.349 -1.201 1.00 0.19 H new ATOM 0 HB2 ALA A 43 -1.187 -2.438 -2.155 1.00 0.19 H new ATOM 0 HB3 ALA A 43 -2.171 -1.202 -2.974 1.00 0.19 H new ATOM 640 N ILE A 44 -5.008 -1.440 -3.207 1.00 0.24 N ATOM 641 CA ILE A 44 -6.270 -0.697 -3.216 1.00 0.28 C ATOM 642 C ILE A 44 -7.455 -1.644 -3.118 1.00 0.32 C ATOM 643 O ILE A 44 -8.423 -1.367 -2.413 1.00 0.38 O ATOM 644 CB ILE A 44 -6.461 0.151 -4.493 1.00 0.27 C ATOM 645 CG1 ILE A 44 -5.144 0.759 -4.940 1.00 0.37 C ATOM 646 CG2 ILE A 44 -7.475 1.256 -4.234 1.00 0.32 C ATOM 647 CD1 ILE A 44 -5.150 1.236 -6.377 1.00 0.36 C ATOM 0 H ILE A 44 -4.459 -1.348 -4.062 1.00 0.24 H new ATOM 0 HA ILE A 44 -6.223 -0.033 -2.353 1.00 0.28 H new ATOM 0 HB ILE A 44 -6.828 -0.501 -5.286 1.00 0.27 H new ATOM 0 HG12 ILE A 44 -4.902 1.599 -4.289 1.00 0.37 H new ATOM 0 HG13 ILE A 44 -4.352 0.020 -4.815 1.00 0.37 H new ATOM 0 HG21 ILE A 44 -7.605 1.850 -5.139 1.00 0.32 H new ATOM 0 HG22 ILE A 44 -8.430 0.814 -3.950 1.00 0.32 H new ATOM 0 HG23 ILE A 44 -7.117 1.896 -3.428 1.00 0.32 H new ATOM 0 HD11 ILE A 44 -4.176 1.658 -6.624 1.00 0.36 H new ATOM 0 HD12 ILE A 44 -5.360 0.395 -7.038 1.00 0.36 H new ATOM 0 HD13 ILE A 44 -5.919 1.998 -6.504 1.00 0.36 H new ATOM 659 N GLU A 45 -7.371 -2.772 -3.817 1.00 0.31 N ATOM 660 CA GLU A 45 -8.484 -3.708 -3.855 1.00 0.39 C ATOM 661 C GLU A 45 -8.613 -4.443 -2.523 1.00 0.35 C ATOM 662 O GLU A 45 -9.671 -4.980 -2.203 1.00 0.41 O ATOM 663 CB GLU A 45 -8.355 -4.673 -5.046 1.00 0.51 C ATOM 664 CG GLU A 45 -7.268 -5.729 -4.925 1.00 1.14 C ATOM 665 CD GLU A 45 -7.775 -7.055 -4.392 1.00 1.68 C ATOM 666 OE1 GLU A 45 -8.494 -7.759 -5.124 1.00 2.01 O ATOM 667 OE2 GLU A 45 -7.464 -7.393 -3.227 1.00 2.35 O ATOM 0 H GLU A 45 -6.554 -3.056 -4.358 1.00 0.31 H new ATOM 0 HA GLU A 45 -9.406 -3.147 -4.005 1.00 0.39 H new ATOM 0 HB2 GLU A 45 -9.311 -5.177 -5.187 1.00 0.51 H new ATOM 0 HB3 GLU A 45 -8.168 -4.087 -5.946 1.00 0.51 H new ATOM 0 HG2 GLU A 45 -6.815 -5.888 -5.904 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -6.482 -5.358 -4.267 1.00 1.14 H new ATOM 674 N ARG A 46 -7.537 -4.448 -1.737 1.00 0.29 N ATOM 675 CA ARG A 46 -7.592 -4.996 -0.382 1.00 0.30 C ATOM 676 C ARG A 46 -8.098 -3.942 0.598 1.00 0.30 C ATOM 677 O ARG A 46 -8.673 -4.267 1.637 1.00 0.38 O ATOM 678 CB ARG A 46 -6.227 -5.516 0.072 1.00 0.37 C ATOM 679 CG ARG A 46 -5.731 -6.711 -0.727 1.00 0.47 C ATOM 680 CD ARG A 46 -4.530 -7.361 -0.063 1.00 0.53 C ATOM 681 NE ARG A 46 -3.875 -8.336 -0.938 1.00 1.35 N ATOM 682 CZ ARG A 46 -3.130 -9.361 -0.507 1.00 1.50 C ATOM 683 NH1 ARG A 46 -3.191 -9.762 0.761 1.00 1.48 N ATOM 684 NH2 ARG A 46 -2.376 -10.039 -1.361 1.00 2.47 N ATOM 0 H ARG A 46 -6.625 -4.083 -2.011 1.00 0.29 H new ATOM 0 HA ARG A 46 -8.285 -5.837 -0.397 1.00 0.30 H new ATOM 0 HB2 ARG A 46 -5.497 -4.710 -0.006 1.00 0.37 H new ATOM 0 HB3 ARG A 46 -6.285 -5.793 1.125 1.00 0.37 H new ATOM 0 HG2 ARG A 46 -6.533 -7.442 -0.827 1.00 0.47 H new ATOM 0 HG3 ARG A 46 -5.463 -6.392 -1.734 1.00 0.47 H new ATOM 0 HD2 ARG A 46 -3.813 -6.591 0.221 1.00 0.53 H new ATOM 0 HD3 ARG A 46 -4.848 -7.855 0.855 1.00 0.53 H new ATOM 0 HE ARG A 46 -3.995 -8.226 -1.945 1.00 1.35 H new ATOM 0 HH11 ARG A 46 -3.811 -9.287 1.417 1.00 1.48 H new ATOM 0 HH12 ARG A 46 -2.618 -10.545 1.077 1.00 1.48 H new ATOM 0 HH21 ARG A 46 -2.363 -9.780 -2.347 1.00 2.47 H new ATOM 0 HH22 ARG A 46 -1.809 -10.820 -1.032 1.00 2.47 H new ATOM 698 N LEU A 47 -7.869 -2.677 0.264 1.00 0.27 N ATOM 699 CA LEU A 47 -8.402 -1.567 1.047 1.00 0.28 C ATOM 700 C LEU A 47 -9.910 -1.484 0.875 1.00 0.36 C ATOM 701 O LEU A 47 -10.652 -1.284 1.837 1.00 0.45 O ATOM 702 CB LEU A 47 -7.761 -0.250 0.620 1.00 0.27 C ATOM 703 CG LEU A 47 -6.256 -0.150 0.857 1.00 0.20 C ATOM 704 CD1 LEU A 47 -5.720 1.143 0.282 1.00 0.23 C ATOM 705 CD2 LEU A 47 -5.942 -0.243 2.342 1.00 0.26 C ATOM 0 H LEU A 47 -7.317 -2.394 -0.545 1.00 0.27 H new ATOM 0 HA LEU A 47 -8.169 -1.744 2.097 1.00 0.28 H new ATOM 0 HB2 LEU A 47 -7.956 -0.097 -0.442 1.00 0.27 H new ATOM 0 HB3 LEU A 47 -8.251 0.564 1.154 1.00 0.27 H new ATOM 0 HG LEU A 47 -5.769 -0.984 0.351 1.00 0.20 H new ATOM 0 HD11 LEU A 47 -4.646 1.202 0.458 1.00 0.23 H new ATOM 0 HD12 LEU A 47 -5.914 1.173 -0.790 1.00 0.23 H new ATOM 0 HD13 LEU A 47 -6.213 1.987 0.764 1.00 0.23 H new ATOM 0 HD21 LEU A 47 -4.865 -0.170 2.491 1.00 0.26 H new ATOM 0 HD22 LEU A 47 -6.438 0.571 2.870 1.00 0.26 H new ATOM 0 HD23 LEU A 47 -6.298 -1.197 2.730 1.00 0.26 H new ATOM 717 N LEU A 48 -10.347 -1.621 -0.369 1.00 0.38 N ATOM 718 CA LEU A 48 -11.759 -1.765 -0.674 1.00 0.53 C ATOM 719 C LEU A 48 -12.253 -3.090 -0.141 1.00 0.64 C ATOM 720 O LEU A 48 -13.385 -3.204 0.332 1.00 0.76 O ATOM 721 CB LEU A 48 -12.001 -1.704 -2.185 1.00 0.65 C ATOM 722 CG LEU A 48 -12.355 -0.331 -2.757 1.00 0.76 C ATOM 723 CD1 LEU A 48 -13.648 0.181 -2.145 1.00 1.76 C ATOM 724 CD2 LEU A 48 -11.226 0.661 -2.528 1.00 0.96 C ATOM 0 H LEU A 48 -9.737 -1.635 -1.187 1.00 0.38 H new ATOM 0 HA LEU A 48 -12.301 -0.945 -0.203 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -11.105 -2.065 -2.690 1.00 0.65 H new ATOM 0 HB3 LEU A 48 -12.807 -2.396 -2.431 1.00 0.65 H new ATOM 0 HG LEU A 48 -12.498 -0.437 -3.832 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -13.886 1.159 -2.563 1.00 1.76 H new ATOM 0 HD12 LEU A 48 -14.457 -0.515 -2.368 1.00 1.76 H new ATOM 0 HD13 LEU A 48 -13.530 0.267 -1.065 1.00 1.76 H new ATOM 0 HD21 LEU A 48 -11.503 1.630 -2.944 1.00 0.96 H new ATOM 0 HD22 LEU A 48 -11.044 0.764 -1.458 1.00 0.96 H new ATOM 0 HD23 LEU A 48 -10.321 0.301 -3.017 1.00 0.96 H new ATOM 736 N GLY A 49 -11.386 -4.089 -0.215 1.00 0.64 N ATOM 737 CA GLY A 49 -11.754 -5.413 0.215 1.00 0.81 C ATOM 738 C GLY A 49 -12.733 -6.023 -0.738 1.00 1.05 C ATOM 739 O GLY A 49 -13.915 -6.140 -0.421 1.00 1.28 O ATOM 0 H GLY A 49 -10.433 -4.001 -0.567 1.00 0.64 H new ATOM 0 HA2 GLY A 49 -10.865 -6.040 0.282 1.00 0.81 H new ATOM 0 HA3 GLY A 49 -12.189 -5.369 1.213 1.00 0.81 H new ATOM 743 N SER A 50 -12.216 -6.379 -1.913 1.00 1.83 N ATOM 744 CA SER A 50 -12.999 -6.933 -3.010 1.00 3.08 C ATOM 745 C SER A 50 -14.174 -7.775 -2.519 1.00 3.74 C ATOM 746 O SER A 50 -14.021 -8.929 -2.114 1.00 4.31 O ATOM 747 CB SER A 50 -12.087 -7.752 -3.923 1.00 3.61 C ATOM 748 OG SER A 50 -11.048 -6.940 -4.445 1.00 3.14 O ATOM 0 H SER A 50 -11.224 -6.288 -2.130 1.00 1.83 H new ATOM 0 HA SER A 50 -13.427 -6.102 -3.571 1.00 3.08 H new ATOM 0 HB2 SER A 50 -11.660 -8.586 -3.367 1.00 3.61 H new ATOM 0 HB3 SER A 50 -12.669 -8.178 -4.740 1.00 3.61 H new ATOM 0 HG SER A 50 -10.259 -7.493 -4.623 1.00 3.14 H new ATOM 754 N GLN A 51 -15.343 -7.157 -2.541 1.00 3.84 N ATOM 755 CA GLN A 51 -16.561 -7.778 -2.079 1.00 4.55 C ATOM 756 C GLN A 51 -17.462 -8.035 -3.265 1.00 5.54 C ATOM 757 O GLN A 51 -18.260 -7.191 -3.666 1.00 5.65 O ATOM 758 CB GLN A 51 -17.250 -6.897 -1.031 1.00 4.01 C ATOM 759 CG GLN A 51 -17.274 -5.409 -1.379 1.00 2.96 C ATOM 760 CD GLN A 51 -17.832 -4.548 -0.264 1.00 2.48 C ATOM 761 OE1 GLN A 51 -17.578 -4.935 0.975 1.00 2.75 O flip ATOM 762 NE2 GLN A 51 -18.474 -3.529 -0.515 1.00 2.21 N flip ATOM 0 H GLN A 51 -15.468 -6.204 -2.883 1.00 3.84 H new ATOM 0 HA GLN A 51 -16.331 -8.729 -1.599 1.00 4.55 H new ATOM 0 HB2 GLN A 51 -18.275 -7.244 -0.899 1.00 4.01 H new ATOM 0 HB3 GLN A 51 -16.744 -7.027 -0.075 1.00 4.01 H new ATOM 0 HG2 GLN A 51 -16.261 -5.080 -1.612 1.00 2.96 H new ATOM 0 HG3 GLN A 51 -17.872 -5.262 -2.278 1.00 2.96 H new ATOM 0 HE21 GLN A 51 -18.650 -3.263 -1.484 1.00 2.21 H new ATOM 0 HE22 GLN A 51 -18.830 -2.950 0.246 1.00 2.21 H new ATOM 771 N LEU A 52 -17.297 -9.198 -3.852 1.00 6.35 N ATOM 772 CA LEU A 52 -17.995 -9.526 -5.067 1.00 7.37 C ATOM 773 C LEU A 52 -18.846 -10.767 -4.876 1.00 8.31 C ATOM 774 O LEU A 52 -18.366 -11.896 -5.013 1.00 9.00 O ATOM 775 CB LEU A 52 -17.015 -9.676 -6.243 1.00 7.77 C ATOM 776 CG LEU A 52 -15.785 -10.573 -6.007 1.00 7.13 C ATOM 777 CD1 LEU A 52 -15.267 -11.111 -7.333 1.00 6.91 C ATOM 778 CD2 LEU A 52 -14.662 -9.806 -5.303 1.00 7.10 C ATOM 0 H LEU A 52 -16.682 -9.933 -3.504 1.00 6.35 H new ATOM 0 HA LEU A 52 -18.666 -8.703 -5.313 1.00 7.37 H new ATOM 0 HB2 LEU A 52 -17.566 -10.071 -7.097 1.00 7.77 H new ATOM 0 HB3 LEU A 52 -16.664 -8.683 -6.522 1.00 7.77 H new ATOM 0 HG LEU A 52 -16.097 -11.399 -5.368 1.00 7.13 H new ATOM 0 HD11 LEU A 52 -14.398 -11.744 -7.154 1.00 6.91 H new ATOM 0 HD12 LEU A 52 -16.048 -11.696 -7.818 1.00 6.91 H new ATOM 0 HD13 LEU A 52 -14.984 -10.279 -7.978 1.00 6.91 H new ATOM 0 HD21 LEU A 52 -13.809 -10.468 -5.151 1.00 7.10 H new ATOM 0 HD22 LEU A 52 -14.359 -8.958 -5.918 1.00 7.10 H new ATOM 0 HD23 LEU A 52 -15.017 -9.445 -4.338 1.00 7.10 H new ATOM 790 N SER A 53 -20.100 -10.511 -4.505 1.00 8.34 N ATOM 791 CA SER A 53 -21.128 -11.538 -4.317 1.00 9.25 C ATOM 792 C SER A 53 -21.015 -12.151 -2.924 1.00 9.26 C ATOM 793 O SER A 53 -21.590 -11.566 -1.975 1.00 9.68 O ATOM 794 CB SER A 53 -21.047 -12.619 -5.413 1.00 9.66 C ATOM 795 OG SER A 53 -22.188 -13.469 -5.409 1.00 10.04 O ATOM 796 OXT SER A 53 -20.353 -13.198 -2.774 1.00 9.00 O ATOM 0 H SER A 53 -20.438 -9.566 -4.323 1.00 8.34 H new ATOM 0 HA SER A 53 -22.105 -11.064 -4.404 1.00 9.25 H new ATOM 0 HB2 SER A 53 -20.955 -12.140 -6.388 1.00 9.66 H new ATOM 0 HB3 SER A 53 -20.148 -13.218 -5.266 1.00 9.66 H new ATOM 0 HG SER A 53 -22.099 -14.139 -6.119 1.00 10.04 H new TER 802 SER A 53