USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 47 GLN : amide:sc= -0.153 K(o=-0.023,f=-1.4) USER MOD Set 1.2: A 50 ASN : amide:sc= 0.13 K(o=-0.023,f=-1.4) USER MOD Set 2.1: A 38 GLN : amide:sc= 1.22 K(o=1.7,f=-0.82) USER MOD Set 2.2: A 41 ASN : amide:sc= 0.479 K(o=1.7,f=-0.039) USER MOD Set 3.1: A 24 GLN : amide:sc= 1.36 K(o=2.8,f=-3.5!) USER MOD Set 3.2: A 53 GLN : amide:sc= 1.44 K(o=2.8,f=-3.5) USER MOD Set 4.1: A 13 GLN : amide:sc= 0.257 K(o=0.92,f=0.038) USER MOD Set 4.2: A 16 ASN : amide:sc= 0.665 K(o=0.92,f=0.054) USER MOD Set 5.1: A 2 GLN : amide:sc= -0.122 K(o=-0.18,f=-0.88) USER MOD Set 5.2: A 3 HIS : no HD1:sc= -0.057 X(o=-0.18,f=-0.18) USER MOD Set 6.1: A 1 ALA N :NH3+ 169:sc= 0.693 (180deg=0) USER MOD Set 6.2: A 7 GLN : amide:sc= 0.577 K(o=1.3,f=-0.68) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.369 K(o=0.37,f=-0.3) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -170:sc= -0.0254 (180deg=-0.197) USER MOD Single : A 19 ASN : amide:sc= 0.724 K(o=0.72,f=-0.83) USER MOD Single : A 21 ASN : amide:sc= 0.174 K(o=0.17,f=-6.4!) USER MOD Single : A 26 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.12) USER MOD Single : A 31 SER OG : rot 74:sc= 0.793 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 28:sc= 1.14 USER MOD Single : A 39 SER OG : rot -87:sc= 0.532 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0241) USER MOD Single : A 52 SER OG : rot -72:sc= 0.482 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.775) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.943 15.308 -5.486 1.00 0.00 N ATOM 2 CA ALA A 1 -16.616 14.047 -5.129 1.00 0.00 C ATOM 3 C ALA A 1 -16.626 13.056 -6.294 1.00 0.00 C ATOM 4 O ALA A 1 -16.443 13.445 -7.446 1.00 0.00 O ATOM 5 CB ALA A 1 -18.043 14.320 -4.644 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.117 16.016 -4.745 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.920 15.143 -5.573 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.316 15.656 -6.392 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.048 13.591 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.526 13.378 -4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.012 14.965 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.609 14.811 -5.436 1.00 0.00 H new ATOM 13 N GLN A 2 -16.855 11.775 -5.985 1.00 0.00 N ATOM 14 CA GLN A 2 -17.050 10.719 -6.970 1.00 0.00 C ATOM 15 C GLN A 2 -17.760 9.540 -6.302 1.00 0.00 C ATOM 16 O GLN A 2 -17.798 9.450 -5.075 1.00 0.00 O ATOM 17 CB GLN A 2 -15.704 10.290 -7.589 1.00 0.00 C ATOM 18 CG GLN A 2 -15.703 10.416 -9.119 1.00 0.00 C ATOM 19 CD GLN A 2 -16.755 9.529 -9.782 1.00 0.00 C ATOM 20 OE1 GLN A 2 -17.772 10.020 -10.262 1.00 0.00 O ATOM 21 NE2 GLN A 2 -16.526 8.215 -9.804 1.00 0.00 N ATOM 0 H GLN A 2 -16.910 11.442 -5.022 1.00 0.00 H new ATOM 0 HA GLN A 2 -17.671 11.090 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.904 10.903 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.491 9.258 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.883 11.455 -9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.717 10.152 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -15.670 7.840 -9.396 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -17.207 7.586 -10.229 1.00 0.00 H new ATOM 30 N HIS A 3 -18.320 8.641 -7.118 1.00 0.00 N ATOM 31 CA HIS A 3 -18.994 7.433 -6.664 1.00 0.00 C ATOM 32 C HIS A 3 -18.025 6.545 -5.880 1.00 0.00 C ATOM 33 O HIS A 3 -18.310 6.173 -4.743 1.00 0.00 O ATOM 34 CB HIS A 3 -19.577 6.688 -7.871 1.00 0.00 C ATOM 35 CG HIS A 3 -20.484 7.543 -8.720 1.00 0.00 C ATOM 36 ND1 HIS A 3 -21.636 8.133 -8.222 1.00 0.00 N ATOM 37 CD2 HIS A 3 -20.408 7.946 -10.032 1.00 0.00 C ATOM 38 CE1 HIS A 3 -22.186 8.841 -9.223 1.00 0.00 C ATOM 39 NE2 HIS A 3 -21.485 8.766 -10.356 1.00 0.00 N ATOM 0 H HIS A 3 -18.314 8.740 -8.133 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.811 7.703 -5.995 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.760 6.314 -8.488 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.133 5.819 -7.519 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.621 7.665 -10.717 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -23.098 9.410 -9.121 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -21.691 9.207 -11.252 1.00 0.00 H new ATOM 47 N ASP A 4 -16.878 6.223 -6.490 1.00 0.00 N ATOM 48 CA ASP A 4 -15.792 5.487 -5.855 1.00 0.00 C ATOM 49 C ASP A 4 -14.842 6.461 -5.149 1.00 0.00 C ATOM 50 O ASP A 4 -15.096 7.664 -5.100 1.00 0.00 O ATOM 51 CB ASP A 4 -15.066 4.635 -6.906 1.00 0.00 C ATOM 52 CG ASP A 4 -14.205 5.475 -7.848 1.00 0.00 C ATOM 53 OD1 ASP A 4 -14.787 6.341 -8.537 1.00 0.00 O ATOM 54 OD2 ASP A 4 -12.978 5.240 -7.859 1.00 0.00 O ATOM 0 H ASP A 4 -16.681 6.475 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.192 4.814 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -14.437 3.901 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.801 4.079 -7.489 1.00 0.00 H new ATOM 59 N GLU A 5 -13.729 5.941 -4.619 1.00 0.00 N ATOM 60 CA GLU A 5 -12.723 6.715 -3.903 1.00 0.00 C ATOM 61 C GLU A 5 -11.655 7.231 -4.872 1.00 0.00 C ATOM 62 O GLU A 5 -10.466 7.232 -4.556 1.00 0.00 O ATOM 63 CB GLU A 5 -12.116 5.849 -2.793 1.00 0.00 C ATOM 64 CG GLU A 5 -13.163 5.394 -1.774 1.00 0.00 C ATOM 65 CD GLU A 5 -12.514 4.542 -0.688 1.00 0.00 C ATOM 66 OE1 GLU A 5 -12.391 3.320 -0.921 1.00 0.00 O ATOM 67 OE2 GLU A 5 -12.147 5.129 0.353 1.00 0.00 O ATOM 0 H GLU A 5 -13.503 4.948 -4.680 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.186 7.588 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.640 4.975 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.335 6.412 -2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.644 6.263 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.943 4.822 -2.276 1.00 0.00 H new ATOM 74 N ALA A 6 -12.092 7.687 -6.052 1.00 0.00 N ATOM 75 CA ALA A 6 -11.246 8.327 -7.053 1.00 0.00 C ATOM 76 C ALA A 6 -10.591 9.594 -6.496 1.00 0.00 C ATOM 77 O ALA A 6 -9.463 9.919 -6.859 1.00 0.00 O ATOM 78 CB ALA A 6 -12.079 8.667 -8.291 1.00 0.00 C ATOM 0 H ALA A 6 -13.068 7.617 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.453 7.632 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.444 9.145 -9.037 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.502 7.753 -8.707 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.885 9.346 -8.012 1.00 0.00 H new ATOM 84 N GLN A 7 -11.295 10.308 -5.609 1.00 0.00 N ATOM 85 CA GLN A 7 -10.755 11.470 -4.921 1.00 0.00 C ATOM 86 C GLN A 7 -9.507 11.069 -4.129 1.00 0.00 C ATOM 87 O GLN A 7 -8.476 11.732 -4.218 1.00 0.00 O ATOM 88 CB GLN A 7 -11.818 12.078 -3.994 1.00 0.00 C ATOM 89 CG GLN A 7 -13.148 12.410 -4.687 1.00 0.00 C ATOM 90 CD GLN A 7 -12.981 13.372 -5.860 1.00 0.00 C ATOM 91 OE1 GLN A 7 -13.062 14.585 -5.687 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.755 12.835 -7.060 1.00 0.00 N ATOM 0 H GLN A 7 -12.258 10.089 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.473 12.224 -5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.011 11.382 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.417 12.989 -3.549 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.607 11.488 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.832 12.847 -3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.694 11.822 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.643 13.437 -7.875 1.00 0.00 H new ATOM 101 N GLN A 8 -9.608 9.971 -3.370 1.00 0.00 N ATOM 102 CA GLN A 8 -8.532 9.429 -2.551 1.00 0.00 C ATOM 103 C GLN A 8 -7.692 8.411 -3.329 1.00 0.00 C ATOM 104 O GLN A 8 -7.201 7.466 -2.722 1.00 0.00 O ATOM 105 CB GLN A 8 -9.130 8.783 -1.292 1.00 0.00 C ATOM 106 CG GLN A 8 -10.112 9.716 -0.579 1.00 0.00 C ATOM 107 CD GLN A 8 -10.520 9.162 0.784 1.00 0.00 C ATOM 108 OE1 GLN A 8 -10.208 9.752 1.815 1.00 0.00 O ATOM 109 NE2 GLN A 8 -11.220 8.026 0.794 1.00 0.00 N ATOM 0 H GLN A 8 -10.467 9.424 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.869 10.245 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.641 7.860 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.326 8.511 -0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.656 10.698 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.999 9.854 -1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.459 7.567 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.516 7.617 1.680 1.00 0.00 H new ATOM 118 N ASN A 9 -7.530 8.588 -4.648 1.00 0.00 N ATOM 119 CA ASN A 9 -6.891 7.650 -5.565 1.00 0.00 C ATOM 120 C ASN A 9 -5.644 6.956 -5.006 1.00 0.00 C ATOM 121 O ASN A 9 -5.560 5.732 -5.058 1.00 0.00 O ATOM 122 CB ASN A 9 -6.587 8.351 -6.895 1.00 0.00 C ATOM 123 CG ASN A 9 -5.865 9.688 -6.725 1.00 0.00 C ATOM 124 OD1 ASN A 9 -4.640 9.732 -6.636 1.00 0.00 O ATOM 125 ND2 ASN A 9 -6.625 10.784 -6.679 1.00 0.00 N ATOM 0 H ASN A 9 -7.858 9.430 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.607 6.843 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -5.976 7.693 -7.513 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.521 8.516 -7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.192 11.701 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.639 10.705 -6.757 1.00 0.00 H new ATOM 132 N ALA A 10 -4.677 7.713 -4.477 1.00 0.00 N ATOM 133 CA ALA A 10 -3.425 7.162 -3.975 1.00 0.00 C ATOM 134 C ALA A 10 -3.672 6.164 -2.837 1.00 0.00 C ATOM 135 O ALA A 10 -3.215 5.023 -2.895 1.00 0.00 O ATOM 136 CB ALA A 10 -2.509 8.313 -3.550 1.00 0.00 C ATOM 0 H ALA A 10 -4.746 8.727 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.930 6.600 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.569 7.910 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.310 8.955 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.995 8.894 -2.766 1.00 0.00 H new ATOM 142 N PHE A 11 -4.414 6.590 -1.810 1.00 0.00 N ATOM 143 CA PHE A 11 -4.795 5.756 -0.677 1.00 0.00 C ATOM 144 C PHE A 11 -5.594 4.540 -1.149 1.00 0.00 C ATOM 145 O PHE A 11 -5.297 3.410 -0.772 1.00 0.00 O ATOM 146 CB PHE A 11 -5.622 6.590 0.309 1.00 0.00 C ATOM 147 CG PHE A 11 -4.901 7.809 0.849 1.00 0.00 C ATOM 148 CD1 PHE A 11 -4.000 7.671 1.919 1.00 0.00 C ATOM 149 CD2 PHE A 11 -5.131 9.081 0.288 1.00 0.00 C ATOM 150 CE1 PHE A 11 -3.372 8.805 2.462 1.00 0.00 C ATOM 151 CE2 PHE A 11 -4.479 10.210 0.814 1.00 0.00 C ATOM 152 CZ PHE A 11 -3.606 10.074 1.907 1.00 0.00 C ATOM 0 H PHE A 11 -4.771 7.543 -1.746 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.895 5.395 -0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.538 6.913 -0.185 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.917 5.956 1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.790 6.692 2.324 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.808 9.189 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.708 8.701 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.649 11.183 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.116 10.944 2.319 1.00 0.00 H new ATOM 162 N TYR A 12 -6.607 4.787 -1.981 1.00 0.00 N ATOM 163 CA TYR A 12 -7.507 3.793 -2.538 1.00 0.00 C ATOM 164 C TYR A 12 -6.732 2.682 -3.247 1.00 0.00 C ATOM 165 O TYR A 12 -7.049 1.511 -3.065 1.00 0.00 O ATOM 166 CB TYR A 12 -8.489 4.511 -3.472 1.00 0.00 C ATOM 167 CG TYR A 12 -9.507 3.644 -4.186 1.00 0.00 C ATOM 168 CD1 TYR A 12 -10.242 2.672 -3.480 1.00 0.00 C ATOM 169 CD2 TYR A 12 -9.852 3.945 -5.518 1.00 0.00 C ATOM 170 CE1 TYR A 12 -11.292 1.985 -4.113 1.00 0.00 C ATOM 171 CE2 TYR A 12 -10.889 3.244 -6.155 1.00 0.00 C ATOM 172 CZ TYR A 12 -11.617 2.271 -5.449 1.00 0.00 C ATOM 173 OH TYR A 12 -12.639 1.605 -6.060 1.00 0.00 O ATOM 0 H TYR A 12 -6.827 5.732 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.068 3.302 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.028 5.259 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.912 5.048 -4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -9.998 2.454 -2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.317 4.717 -6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.850 1.236 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.127 3.453 -7.188 1.00 0.00 H new ATOM 0 HH TYR A 12 -12.732 1.924 -6.982 1.00 0.00 H new ATOM 183 N GLN A 13 -5.706 3.031 -4.032 1.00 0.00 N ATOM 184 CA GLN A 13 -4.858 2.050 -4.695 1.00 0.00 C ATOM 185 C GLN A 13 -4.119 1.161 -3.693 1.00 0.00 C ATOM 186 O GLN A 13 -4.005 -0.039 -3.935 1.00 0.00 O ATOM 187 CB GLN A 13 -3.901 2.737 -5.679 1.00 0.00 C ATOM 188 CG GLN A 13 -4.635 3.190 -6.949 1.00 0.00 C ATOM 189 CD GLN A 13 -5.160 2.008 -7.761 1.00 0.00 C ATOM 190 OE1 GLN A 13 -6.358 1.731 -7.763 1.00 0.00 O ATOM 191 NE2 GLN A 13 -4.261 1.302 -8.450 1.00 0.00 N ATOM 0 H GLN A 13 -5.446 3.999 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.502 1.386 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.438 3.598 -5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.097 2.051 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.467 3.839 -6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.959 3.782 -7.566 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.276 1.565 -8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.559 0.500 -9.005 1.00 0.00 H new ATOM 200 N VAL A 14 -3.643 1.716 -2.569 1.00 0.00 N ATOM 201 CA VAL A 14 -3.055 0.911 -1.500 1.00 0.00 C ATOM 202 C VAL A 14 -4.071 -0.100 -0.954 1.00 0.00 C ATOM 203 O VAL A 14 -3.688 -1.229 -0.654 1.00 0.00 O ATOM 204 CB VAL A 14 -2.409 1.792 -0.415 1.00 0.00 C ATOM 205 CG1 VAL A 14 -1.900 0.942 0.754 1.00 0.00 C ATOM 206 CG2 VAL A 14 -1.210 2.562 -0.987 1.00 0.00 C ATOM 0 H VAL A 14 -3.656 2.718 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.237 0.323 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.176 2.484 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.449 1.590 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.733 0.397 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.155 0.233 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.767 3.179 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.467 1.856 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.544 3.199 -1.806 1.00 0.00 H new ATOM 216 N LEU A 15 -5.356 0.270 -0.849 1.00 0.00 N ATOM 217 CA LEU A 15 -6.407 -0.679 -0.493 1.00 0.00 C ATOM 218 C LEU A 15 -6.619 -1.712 -1.610 1.00 0.00 C ATOM 219 O LEU A 15 -6.842 -2.884 -1.312 1.00 0.00 O ATOM 220 CB LEU A 15 -7.734 0.018 -0.144 1.00 0.00 C ATOM 221 CG LEU A 15 -7.772 0.631 1.267 1.00 0.00 C ATOM 222 CD1 LEU A 15 -7.011 1.957 1.350 1.00 0.00 C ATOM 223 CD2 LEU A 15 -9.230 0.880 1.671 1.00 0.00 C ATOM 0 H LEU A 15 -5.687 1.222 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.069 -1.198 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.922 0.805 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.546 -0.703 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.290 -0.077 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.069 2.347 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.967 1.795 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.455 2.675 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.262 1.314 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.692 1.567 0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.775 -0.064 1.668 1.00 0.00 H new ATOM 235 N ASN A 16 -6.549 -1.297 -2.884 1.00 0.00 N ATOM 236 CA ASN A 16 -6.818 -2.149 -4.043 1.00 0.00 C ATOM 237 C ASN A 16 -5.619 -3.047 -4.389 1.00 0.00 C ATOM 238 O ASN A 16 -5.247 -3.157 -5.556 1.00 0.00 O ATOM 239 CB ASN A 16 -7.194 -1.287 -5.262 1.00 0.00 C ATOM 240 CG ASN A 16 -8.365 -0.336 -5.026 1.00 0.00 C ATOM 241 OD1 ASN A 16 -9.214 -0.573 -4.169 1.00 0.00 O ATOM 242 ND2 ASN A 16 -8.413 0.753 -5.797 1.00 0.00 N ATOM 0 H ASN A 16 -6.299 -0.341 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.654 -2.798 -3.782 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.323 -0.704 -5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.439 -1.945 -6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.173 1.424 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.689 0.914 -6.497 1.00 0.00 H new ATOM 249 N MET A 17 -5.021 -3.699 -3.385 1.00 0.00 N ATOM 250 CA MET A 17 -3.903 -4.617 -3.542 1.00 0.00 C ATOM 251 C MET A 17 -4.078 -5.750 -2.525 1.00 0.00 C ATOM 252 O MET A 17 -3.529 -5.671 -1.427 1.00 0.00 O ATOM 253 CB MET A 17 -2.573 -3.861 -3.384 1.00 0.00 C ATOM 254 CG MET A 17 -2.204 -3.142 -4.689 1.00 0.00 C ATOM 255 SD MET A 17 -0.507 -2.526 -4.801 1.00 0.00 S ATOM 256 CE MET A 17 -0.646 -1.007 -3.839 1.00 0.00 C ATOM 0 H MET A 17 -5.316 -3.594 -2.414 1.00 0.00 H new ATOM 0 HA MET A 17 -3.883 -5.054 -4.540 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.654 -3.137 -2.573 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.782 -4.559 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.377 -3.827 -5.519 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.884 -2.301 -4.822 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.263 -0.417 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.501 -0.430 -4.192 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.785 -1.254 -2.787 1.00 0.00 H new ATOM 266 N PRO A 18 -4.847 -6.801 -2.869 1.00 0.00 N ATOM 267 CA PRO A 18 -5.282 -7.835 -1.936 1.00 0.00 C ATOM 268 C PRO A 18 -4.186 -8.841 -1.561 1.00 0.00 C ATOM 269 O PRO A 18 -4.468 -9.780 -0.819 1.00 0.00 O ATOM 270 CB PRO A 18 -6.463 -8.521 -2.629 1.00 0.00 C ATOM 271 CG PRO A 18 -6.101 -8.404 -4.106 1.00 0.00 C ATOM 272 CD PRO A 18 -5.441 -7.028 -4.179 1.00 0.00 C ATOM 0 HA PRO A 18 -5.554 -7.389 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.566 -9.561 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.408 -8.026 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.422 -9.196 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.982 -8.466 -4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.683 -6.999 -4.962 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.173 -6.256 -4.415 1.00 0.00 H new ATOM 280 N ASN A 19 -2.946 -8.649 -2.031 1.00 0.00 N ATOM 281 CA ASN A 19 -1.821 -9.499 -1.659 1.00 0.00 C ATOM 282 C ASN A 19 -1.157 -8.949 -0.396 1.00 0.00 C ATOM 283 O ASN A 19 -0.526 -9.704 0.342 1.00 0.00 O ATOM 284 CB ASN A 19 -0.785 -9.546 -2.786 1.00 0.00 C ATOM 285 CG ASN A 19 -1.318 -10.080 -4.116 1.00 0.00 C ATOM 286 OD1 ASN A 19 -2.456 -10.534 -4.216 1.00 0.00 O ATOM 287 ND2 ASN A 19 -0.481 -10.030 -5.154 1.00 0.00 N ATOM 0 H ASN A 19 -2.701 -7.900 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.196 -10.506 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.392 -8.541 -2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.051 -10.169 -2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.779 -10.375 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.457 -9.647 -5.035 1.00 0.00 H new ATOM 294 N LEU A 20 -1.305 -7.642 -0.137 1.00 0.00 N ATOM 295 CA LEU A 20 -0.852 -7.027 1.099 1.00 0.00 C ATOM 296 C LEU A 20 -1.718 -7.525 2.256 1.00 0.00 C ATOM 297 O LEU A 20 -2.901 -7.806 2.065 1.00 0.00 O ATOM 298 CB LEU A 20 -0.966 -5.498 1.008 1.00 0.00 C ATOM 299 CG LEU A 20 -0.216 -4.868 -0.175 1.00 0.00 C ATOM 300 CD1 LEU A 20 -0.498 -3.362 -0.203 1.00 0.00 C ATOM 301 CD2 LEU A 20 1.293 -5.094 -0.063 1.00 0.00 C ATOM 0 H LEU A 20 -1.744 -6.989 -0.786 1.00 0.00 H new ATOM 0 HA LEU A 20 0.191 -7.297 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.020 -5.229 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.588 -5.063 1.933 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.565 -5.341 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.032 -2.908 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.569 -3.194 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.157 -2.911 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.794 -4.636 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.661 -4.644 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.501 -6.164 -0.052 1.00 0.00 H new ATOM 313 N ASN A 21 -1.137 -7.619 3.457 1.00 0.00 N ATOM 314 CA ASN A 21 -1.902 -7.860 4.675 1.00 0.00 C ATOM 315 C ASN A 21 -2.296 -6.519 5.304 1.00 0.00 C ATOM 316 O ASN A 21 -1.933 -5.457 4.796 1.00 0.00 O ATOM 317 CB ASN A 21 -1.142 -8.795 5.629 1.00 0.00 C ATOM 318 CG ASN A 21 0.152 -8.206 6.187 1.00 0.00 C ATOM 319 OD1 ASN A 21 0.158 -7.107 6.734 1.00 0.00 O ATOM 320 ND2 ASN A 21 1.256 -8.943 6.062 1.00 0.00 N ATOM 0 H ASN A 21 -0.132 -7.530 3.607 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.827 -8.384 4.437 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.796 -9.057 6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.909 -9.721 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.144 -8.598 6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.213 -9.852 5.601 1.00 0.00 H new ATOM 327 N ALA A 22 -3.049 -6.574 6.409 1.00 0.00 N ATOM 328 CA ALA A 22 -3.543 -5.395 7.104 1.00 0.00 C ATOM 329 C ALA A 22 -2.395 -4.472 7.512 1.00 0.00 C ATOM 330 O ALA A 22 -2.384 -3.307 7.128 1.00 0.00 O ATOM 331 CB ALA A 22 -4.367 -5.819 8.323 1.00 0.00 C ATOM 0 H ALA A 22 -3.332 -7.452 6.845 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.184 -4.834 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.735 -4.933 8.840 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.212 -6.426 7.998 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.742 -6.401 9.000 1.00 0.00 H new ATOM 337 N ASP A 23 -1.432 -4.994 8.280 1.00 0.00 N ATOM 338 CA ASP A 23 -0.300 -4.235 8.801 1.00 0.00 C ATOM 339 C ASP A 23 0.461 -3.523 7.680 1.00 0.00 C ATOM 340 O ASP A 23 0.800 -2.349 7.816 1.00 0.00 O ATOM 341 CB ASP A 23 0.636 -5.162 9.586 1.00 0.00 C ATOM 342 CG ASP A 23 -0.095 -5.879 10.718 1.00 0.00 C ATOM 343 OD1 ASP A 23 -0.675 -6.949 10.431 1.00 0.00 O ATOM 344 OD2 ASP A 23 -0.065 -5.343 11.847 1.00 0.00 O ATOM 0 H ASP A 23 -1.422 -5.975 8.560 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.686 -3.468 9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.070 -5.898 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.462 -4.581 9.997 1.00 0.00 H new ATOM 349 N GLN A 24 0.720 -4.234 6.577 1.00 0.00 N ATOM 350 CA GLN A 24 1.420 -3.711 5.414 1.00 0.00 C ATOM 351 C GLN A 24 0.662 -2.534 4.801 1.00 0.00 C ATOM 352 O GLN A 24 1.218 -1.439 4.711 1.00 0.00 O ATOM 353 CB GLN A 24 1.613 -4.832 4.387 1.00 0.00 C ATOM 354 CG GLN A 24 2.660 -5.845 4.868 1.00 0.00 C ATOM 355 CD GLN A 24 2.709 -7.089 3.984 1.00 0.00 C ATOM 356 OE1 GLN A 24 1.850 -7.292 3.131 1.00 0.00 O ATOM 357 NE2 GLN A 24 3.719 -7.935 4.190 1.00 0.00 N ATOM 0 H GLN A 24 0.440 -5.209 6.473 1.00 0.00 H new ATOM 0 HA GLN A 24 2.397 -3.343 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.664 -5.339 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.925 -4.406 3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.642 -5.372 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.435 -6.139 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.415 -7.733 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.796 -8.784 3.629 1.00 0.00 H new ATOM 366 N ARG A 25 -0.592 -2.748 4.378 1.00 0.00 N ATOM 367 CA ARG A 25 -1.356 -1.703 3.708 1.00 0.00 C ATOM 368 C ARG A 25 -1.574 -0.500 4.628 1.00 0.00 C ATOM 369 O ARG A 25 -1.463 0.633 4.174 1.00 0.00 O ATOM 370 CB ARG A 25 -2.649 -2.244 3.076 1.00 0.00 C ATOM 371 CG ARG A 25 -3.815 -2.424 4.055 1.00 0.00 C ATOM 372 CD ARG A 25 -5.095 -2.833 3.321 1.00 0.00 C ATOM 373 NE ARG A 25 -5.003 -4.192 2.774 1.00 0.00 N ATOM 374 CZ ARG A 25 -4.723 -4.539 1.508 1.00 0.00 C ATOM 375 NH1 ARG A 25 -4.420 -3.630 0.572 1.00 0.00 N ATOM 376 NH2 ARG A 25 -4.739 -5.831 1.168 1.00 0.00 N ATOM 0 H ARG A 25 -1.090 -3.631 4.490 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.763 -1.338 2.869 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.961 -1.565 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.434 -3.205 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.559 -3.182 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.985 -1.494 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.941 -2.774 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.290 -2.129 2.512 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.170 -4.957 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.397 -2.639 0.812 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.212 -3.929 -0.381 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.962 -6.540 1.867 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.528 -6.109 0.209 1.00 0.00 H new ATOM 390 N ASN A 26 -1.853 -0.739 5.917 1.00 0.00 N ATOM 391 CA ASN A 26 -1.985 0.306 6.925 1.00 0.00 C ATOM 392 C ASN A 26 -0.691 1.114 7.036 1.00 0.00 C ATOM 393 O ASN A 26 -0.737 2.341 7.066 1.00 0.00 O ATOM 394 CB ASN A 26 -2.364 -0.301 8.282 1.00 0.00 C ATOM 395 CG ASN A 26 -3.747 -0.957 8.284 1.00 0.00 C ATOM 396 OD1 ASN A 26 -4.564 -0.725 7.396 1.00 0.00 O ATOM 397 ND2 ASN A 26 -4.011 -1.789 9.292 1.00 0.00 N ATOM 0 H ASN A 26 -1.994 -1.679 6.287 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.783 0.982 6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.617 -1.043 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.338 0.480 9.042 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.916 -2.257 9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.308 -1.958 10.012 1.00 0.00 H new ATOM 404 N GLY A 27 0.458 0.430 7.085 1.00 0.00 N ATOM 405 CA GLY A 27 1.770 1.057 7.109 1.00 0.00 C ATOM 406 C GLY A 27 1.940 2.017 5.933 1.00 0.00 C ATOM 407 O GLY A 27 2.303 3.177 6.129 1.00 0.00 O ATOM 0 H GLY A 27 0.495 -0.589 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.901 1.598 8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.544 0.290 7.072 1.00 0.00 H new ATOM 411 N PHE A 28 1.662 1.537 4.715 1.00 0.00 N ATOM 412 CA PHE A 28 1.744 2.347 3.509 1.00 0.00 C ATOM 413 C PHE A 28 0.772 3.531 3.556 1.00 0.00 C ATOM 414 O PHE A 28 1.181 4.642 3.237 1.00 0.00 O ATOM 415 CB PHE A 28 1.538 1.477 2.262 1.00 0.00 C ATOM 416 CG PHE A 28 2.664 0.498 1.975 1.00 0.00 C ATOM 417 CD1 PHE A 28 3.978 0.968 1.786 1.00 0.00 C ATOM 418 CD2 PHE A 28 2.395 -0.877 1.839 1.00 0.00 C ATOM 419 CE1 PHE A 28 5.026 0.063 1.544 1.00 0.00 C ATOM 420 CE2 PHE A 28 3.444 -1.784 1.603 1.00 0.00 C ATOM 421 CZ PHE A 28 4.760 -1.313 1.454 1.00 0.00 C ATOM 0 H PHE A 28 1.374 0.573 4.545 1.00 0.00 H new ATOM 0 HA PHE A 28 2.746 2.773 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.609 0.918 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.413 2.129 1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.181 2.028 1.827 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.380 -1.237 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.036 0.426 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.238 -2.842 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.566 -2.009 1.271 1.00 0.00 H new ATOM 431 N ILE A 29 -0.488 3.319 3.961 1.00 0.00 N ATOM 432 CA ILE A 29 -1.491 4.376 4.104 1.00 0.00 C ATOM 433 C ILE A 29 -0.961 5.492 5.008 1.00 0.00 C ATOM 434 O ILE A 29 -1.022 6.662 4.633 1.00 0.00 O ATOM 435 CB ILE A 29 -2.821 3.788 4.625 1.00 0.00 C ATOM 436 CG1 ILE A 29 -3.521 3.003 3.502 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.771 4.872 5.162 1.00 0.00 C ATOM 438 CD1 ILE A 29 -4.573 2.021 4.030 1.00 0.00 C ATOM 0 H ILE A 29 -0.841 2.393 4.201 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.691 4.816 3.127 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.577 3.124 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.997 3.705 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.774 2.454 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.691 4.407 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.291 5.400 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.005 5.578 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.033 1.496 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.096 1.299 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.338 2.569 4.580 1.00 0.00 H new ATOM 450 N GLN A 30 -0.441 5.134 6.188 1.00 0.00 N ATOM 451 CA GLN A 30 0.116 6.094 7.131 1.00 0.00 C ATOM 452 C GLN A 30 1.310 6.832 6.526 1.00 0.00 C ATOM 453 O GLN A 30 1.395 8.047 6.662 1.00 0.00 O ATOM 454 CB GLN A 30 0.494 5.401 8.447 1.00 0.00 C ATOM 455 CG GLN A 30 -0.730 4.920 9.239 1.00 0.00 C ATOM 456 CD GLN A 30 -1.602 6.077 9.722 1.00 0.00 C ATOM 457 OE1 GLN A 30 -1.296 6.709 10.730 1.00 0.00 O ATOM 458 NE2 GLN A 30 -2.695 6.359 9.009 1.00 0.00 N ATOM 0 H GLN A 30 -0.397 4.167 6.511 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.649 6.839 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.139 4.549 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.071 6.091 9.063 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.326 4.256 8.613 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.398 4.336 10.097 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.917 5.812 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.308 7.122 9.296 1.00 0.00 H new ATOM 467 N SER A 31 2.220 6.122 5.847 1.00 0.00 N ATOM 468 CA SER A 31 3.357 6.742 5.172 1.00 0.00 C ATOM 469 C SER A 31 2.889 7.784 4.149 1.00 0.00 C ATOM 470 O SER A 31 3.446 8.878 4.078 1.00 0.00 O ATOM 471 CB SER A 31 4.224 5.670 4.502 1.00 0.00 C ATOM 472 OG SER A 31 4.647 4.708 5.445 1.00 0.00 O ATOM 0 H SER A 31 2.185 5.107 5.753 1.00 0.00 H new ATOM 0 HA SER A 31 3.960 7.259 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.659 5.183 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.092 6.136 4.036 1.00 0.00 H new ATOM 0 HG SER A 31 3.894 4.126 5.679 1.00 0.00 H new ATOM 478 N LEU A 32 1.856 7.440 3.370 1.00 0.00 N ATOM 479 CA LEU A 32 1.241 8.298 2.365 1.00 0.00 C ATOM 480 C LEU A 32 0.678 9.561 3.024 1.00 0.00 C ATOM 481 O LEU A 32 0.936 10.672 2.566 1.00 0.00 O ATOM 482 CB LEU A 32 0.138 7.503 1.640 1.00 0.00 C ATOM 483 CG LEU A 32 0.112 7.710 0.122 1.00 0.00 C ATOM 484 CD1 LEU A 32 -0.874 6.710 -0.493 1.00 0.00 C ATOM 485 CD2 LEU A 32 -0.294 9.139 -0.251 1.00 0.00 C ATOM 0 H LEU A 32 1.414 6.523 3.429 1.00 0.00 H new ATOM 0 HA LEU A 32 1.986 8.613 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.273 6.442 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.830 7.788 2.051 1.00 0.00 H new ATOM 0 HG LEU A 32 1.117 7.546 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.903 6.846 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.553 5.694 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.868 6.878 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.300 9.244 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.290 9.348 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.419 9.843 0.178 1.00 0.00 H new ATOM 497 N LYS A 33 -0.087 9.377 4.107 1.00 0.00 N ATOM 498 CA LYS A 33 -0.703 10.444 4.882 1.00 0.00 C ATOM 499 C LYS A 33 0.360 11.405 5.422 1.00 0.00 C ATOM 500 O LYS A 33 0.224 12.619 5.285 1.00 0.00 O ATOM 501 CB LYS A 33 -1.525 9.817 6.018 1.00 0.00 C ATOM 502 CG LYS A 33 -2.346 10.855 6.790 1.00 0.00 C ATOM 503 CD LYS A 33 -3.131 10.161 7.907 1.00 0.00 C ATOM 504 CE LYS A 33 -3.944 11.179 8.711 1.00 0.00 C ATOM 505 NZ LYS A 33 -4.686 10.525 9.801 1.00 0.00 N ATOM 0 H LYS A 33 -0.297 8.449 4.474 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.366 11.029 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.195 9.063 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.854 9.304 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.687 11.614 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.031 11.367 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.798 9.413 7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.443 9.634 8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.277 11.936 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.641 11.695 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.228 11.239 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.338 9.820 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.017 10.054 10.443 1.00 0.00 H new ATOM 519 N ASP A 34 1.411 10.852 6.037 1.00 0.00 N ATOM 520 CA ASP A 34 2.493 11.606 6.654 1.00 0.00 C ATOM 521 C ASP A 34 3.303 12.372 5.609 1.00 0.00 C ATOM 522 O ASP A 34 3.702 13.506 5.868 1.00 0.00 O ATOM 523 CB ASP A 34 3.408 10.662 7.449 1.00 0.00 C ATOM 524 CG ASP A 34 2.699 9.939 8.596 1.00 0.00 C ATOM 525 OD1 ASP A 34 1.703 10.494 9.110 1.00 0.00 O ATOM 526 OD2 ASP A 34 3.174 8.836 8.944 1.00 0.00 O ATOM 0 H ASP A 34 1.530 9.842 6.118 1.00 0.00 H new ATOM 0 HA ASP A 34 2.052 12.334 7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.829 9.921 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.243 11.235 7.853 1.00 0.00 H new ATOM 531 N ASP A 35 3.552 11.758 4.443 1.00 0.00 N ATOM 532 CA ASP A 35 4.376 12.328 3.385 1.00 0.00 C ATOM 533 C ASP A 35 3.659 12.216 2.030 1.00 0.00 C ATOM 534 O ASP A 35 3.947 11.301 1.259 1.00 0.00 O ATOM 535 CB ASP A 35 5.743 11.624 3.407 1.00 0.00 C ATOM 536 CG ASP A 35 6.799 12.366 2.592 1.00 0.00 C ATOM 537 OD1 ASP A 35 6.465 12.800 1.469 1.00 0.00 O ATOM 538 OD2 ASP A 35 7.932 12.488 3.104 1.00 0.00 O ATOM 0 H ASP A 35 3.177 10.838 4.212 1.00 0.00 H new ATOM 0 HA ASP A 35 4.541 13.393 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.084 11.532 4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.633 10.612 3.017 1.00 0.00 H new ATOM 543 N PRO A 36 2.738 13.147 1.720 1.00 0.00 N ATOM 544 CA PRO A 36 2.033 13.212 0.445 1.00 0.00 C ATOM 545 C PRO A 36 2.970 13.309 -0.763 1.00 0.00 C ATOM 546 O PRO A 36 2.693 12.714 -1.802 1.00 0.00 O ATOM 547 CB PRO A 36 1.126 14.444 0.530 1.00 0.00 C ATOM 548 CG PRO A 36 0.898 14.606 2.029 1.00 0.00 C ATOM 549 CD PRO A 36 2.245 14.185 2.611 1.00 0.00 C ATOM 0 HA PRO A 36 1.470 12.292 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.601 15.324 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.189 14.292 -0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.644 15.633 2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.085 13.974 2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.936 15.027 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.134 13.811 3.629 1.00 0.00 H new ATOM 557 N SER A 37 4.072 14.059 -0.640 1.00 0.00 N ATOM 558 CA SER A 37 5.041 14.229 -1.715 1.00 0.00 C ATOM 559 C SER A 37 5.659 12.892 -2.141 1.00 0.00 C ATOM 560 O SER A 37 5.911 12.696 -3.328 1.00 0.00 O ATOM 561 CB SER A 37 6.098 15.267 -1.319 1.00 0.00 C ATOM 562 OG SER A 37 6.524 15.096 0.016 1.00 0.00 O ATOM 0 H SER A 37 4.312 14.564 0.213 1.00 0.00 H new ATOM 0 HA SER A 37 4.519 14.610 -2.593 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.955 15.187 -1.988 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.689 16.269 -1.445 1.00 0.00 H new ATOM 0 HG SER A 37 6.431 14.154 0.271 1.00 0.00 H new ATOM 568 N GLN A 38 5.874 11.967 -1.194 1.00 0.00 N ATOM 569 CA GLN A 38 6.345 10.617 -1.479 1.00 0.00 C ATOM 570 C GLN A 38 5.180 9.646 -1.720 1.00 0.00 C ATOM 571 O GLN A 38 5.329 8.448 -1.491 1.00 0.00 O ATOM 572 CB GLN A 38 7.261 10.134 -0.343 1.00 0.00 C ATOM 573 CG GLN A 38 8.601 10.876 -0.335 1.00 0.00 C ATOM 574 CD GLN A 38 9.604 10.164 0.569 1.00 0.00 C ATOM 575 OE1 GLN A 38 10.264 9.222 0.136 1.00 0.00 O ATOM 576 NE2 GLN A 38 9.720 10.598 1.825 1.00 0.00 N ATOM 0 H GLN A 38 5.722 12.144 -0.201 1.00 0.00 H new ATOM 0 HA GLN A 38 6.922 10.641 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.760 10.279 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.439 9.064 -0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.996 10.936 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.454 11.899 0.011 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.155 11.383 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.374 10.145 2.463 1.00 0.00 H new ATOM 585 N SER A 39 4.032 10.132 -2.211 1.00 0.00 N ATOM 586 CA SER A 39 2.926 9.280 -2.634 1.00 0.00 C ATOM 587 C SER A 39 3.397 8.269 -3.682 1.00 0.00 C ATOM 588 O SER A 39 3.115 7.080 -3.557 1.00 0.00 O ATOM 589 CB SER A 39 1.771 10.130 -3.177 1.00 0.00 C ATOM 590 OG SER A 39 2.240 11.091 -4.100 1.00 0.00 O ATOM 0 H SER A 39 3.849 11.129 -2.324 1.00 0.00 H new ATOM 0 HA SER A 39 2.564 8.727 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.036 9.486 -3.659 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.264 10.630 -2.352 1.00 0.00 H new ATOM 0 HG SER A 39 2.506 11.903 -3.620 1.00 0.00 H new ATOM 596 N ALA A 40 4.123 8.744 -4.701 1.00 0.00 N ATOM 597 CA ALA A 40 4.685 7.920 -5.763 1.00 0.00 C ATOM 598 C ALA A 40 5.582 6.811 -5.205 1.00 0.00 C ATOM 599 O ALA A 40 5.459 5.658 -5.615 1.00 0.00 O ATOM 600 CB ALA A 40 5.461 8.809 -6.738 1.00 0.00 C ATOM 0 H ALA A 40 4.338 9.736 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 40 3.867 7.431 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.883 8.195 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.788 9.550 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.266 9.316 -6.206 1.00 0.00 H new ATOM 606 N ASN A 41 6.480 7.157 -4.274 1.00 0.00 N ATOM 607 CA ASN A 41 7.396 6.206 -3.656 1.00 0.00 C ATOM 608 C ASN A 41 6.613 5.145 -2.880 1.00 0.00 C ATOM 609 O ASN A 41 6.820 3.954 -3.094 1.00 0.00 O ATOM 610 CB ASN A 41 8.385 6.953 -2.752 1.00 0.00 C ATOM 611 CG ASN A 41 9.438 6.037 -2.125 1.00 0.00 C ATOM 612 OD1 ASN A 41 9.680 4.930 -2.599 1.00 0.00 O ATOM 613 ND2 ASN A 41 10.078 6.502 -1.050 1.00 0.00 N ATOM 0 H ASN A 41 6.587 8.111 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 41 7.966 5.693 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.886 7.727 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.833 7.457 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.793 5.933 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.852 7.426 -0.682 1.00 0.00 H new ATOM 620 N VAL A 42 5.706 5.580 -1.997 1.00 0.00 N ATOM 621 CA VAL A 42 4.845 4.711 -1.203 1.00 0.00 C ATOM 622 C VAL A 42 4.078 3.735 -2.102 1.00 0.00 C ATOM 623 O VAL A 42 4.053 2.540 -1.817 1.00 0.00 O ATOM 624 CB VAL A 42 3.914 5.572 -0.331 1.00 0.00 C ATOM 625 CG1 VAL A 42 2.774 4.756 0.288 1.00 0.00 C ATOM 626 CG2 VAL A 42 4.714 6.220 0.807 1.00 0.00 C ATOM 0 H VAL A 42 5.551 6.571 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 42 5.453 4.099 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 42 3.482 6.329 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.146 5.409 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.174 4.309 -0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.190 3.968 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.048 6.828 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.165 5.442 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.498 6.851 0.388 1.00 0.00 H new ATOM 636 N LEU A 43 3.468 4.234 -3.184 1.00 0.00 N ATOM 637 CA LEU A 43 2.769 3.412 -4.165 1.00 0.00 C ATOM 638 C LEU A 43 3.715 2.385 -4.789 1.00 0.00 C ATOM 639 O LEU A 43 3.352 1.218 -4.897 1.00 0.00 O ATOM 640 CB LEU A 43 2.140 4.296 -5.252 1.00 0.00 C ATOM 641 CG LEU A 43 0.872 5.024 -4.778 1.00 0.00 C ATOM 642 CD1 LEU A 43 0.545 6.165 -5.748 1.00 0.00 C ATOM 643 CD2 LEU A 43 -0.328 4.069 -4.720 1.00 0.00 C ATOM 0 H LEU A 43 3.449 5.231 -3.400 1.00 0.00 H new ATOM 0 HA LEU A 43 1.973 2.871 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.873 5.032 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.896 3.679 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 43 1.061 5.413 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.354 6.682 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.378 6.868 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.379 5.758 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.210 4.613 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.514 3.658 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.114 3.257 -4.025 1.00 0.00 H new ATOM 655 N GLY A 44 4.919 2.809 -5.194 1.00 0.00 N ATOM 656 CA GLY A 44 5.928 1.934 -5.776 1.00 0.00 C ATOM 657 C GLY A 44 6.278 0.776 -4.841 1.00 0.00 C ATOM 658 O GLY A 44 6.220 -0.384 -5.243 1.00 0.00 O ATOM 0 H GLY A 44 5.217 3.782 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.564 1.539 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.827 2.510 -5.995 1.00 0.00 H new ATOM 662 N GLU A 45 6.631 1.101 -3.592 1.00 0.00 N ATOM 663 CA GLU A 45 6.971 0.141 -2.550 1.00 0.00 C ATOM 664 C GLU A 45 5.804 -0.813 -2.285 1.00 0.00 C ATOM 665 O GLU A 45 6.009 -2.017 -2.149 1.00 0.00 O ATOM 666 CB GLU A 45 7.345 0.894 -1.267 1.00 0.00 C ATOM 667 CG GLU A 45 8.640 1.699 -1.424 1.00 0.00 C ATOM 668 CD GLU A 45 8.854 2.622 -0.228 1.00 0.00 C ATOM 669 OE1 GLU A 45 8.160 3.661 -0.178 1.00 0.00 O ATOM 670 OE2 GLU A 45 9.705 2.272 0.618 1.00 0.00 O ATOM 0 H GLU A 45 6.688 2.069 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 45 7.821 -0.454 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.532 1.567 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.459 0.182 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.486 1.019 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.598 2.288 -2.340 1.00 0.00 H new ATOM 677 N ALA A 46 4.582 -0.275 -2.213 1.00 0.00 N ATOM 678 CA ALA A 46 3.375 -1.053 -1.991 1.00 0.00 C ATOM 679 C ALA A 46 3.120 -2.031 -3.140 1.00 0.00 C ATOM 680 O ALA A 46 2.769 -3.180 -2.888 1.00 0.00 O ATOM 681 CB ALA A 46 2.189 -0.114 -1.763 1.00 0.00 C ATOM 0 H ALA A 46 4.409 0.726 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 46 3.507 -1.659 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.286 -0.702 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.381 0.510 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.053 0.520 -2.639 1.00 0.00 H new ATOM 687 N GLN A 47 3.306 -1.593 -4.392 1.00 0.00 N ATOM 688 CA GLN A 47 3.138 -2.444 -5.563 1.00 0.00 C ATOM 689 C GLN A 47 4.204 -3.541 -5.579 1.00 0.00 C ATOM 690 O GLN A 47 3.893 -4.693 -5.865 1.00 0.00 O ATOM 691 CB GLN A 47 3.144 -1.607 -6.853 1.00 0.00 C ATOM 692 CG GLN A 47 2.217 -2.193 -7.931 1.00 0.00 C ATOM 693 CD GLN A 47 2.536 -3.643 -8.290 1.00 0.00 C ATOM 694 OE1 GLN A 47 1.767 -4.548 -7.972 1.00 0.00 O ATOM 695 NE2 GLN A 47 3.672 -3.869 -8.951 1.00 0.00 N ATOM 0 H GLN A 47 3.578 -0.636 -4.615 1.00 0.00 H new ATOM 0 HA GLN A 47 2.166 -2.934 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.833 -0.588 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.161 -1.550 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.186 -2.132 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.287 -1.581 -8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.283 -3.090 -9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.930 -4.821 -9.211 1.00 0.00 H new ATOM 704 N LYS A 48 5.455 -3.194 -5.258 1.00 0.00 N ATOM 705 CA LYS A 48 6.545 -4.151 -5.139 1.00 0.00 C ATOM 706 C LYS A 48 6.175 -5.239 -4.127 1.00 0.00 C ATOM 707 O LYS A 48 6.274 -6.426 -4.437 1.00 0.00 O ATOM 708 CB LYS A 48 7.833 -3.394 -4.777 1.00 0.00 C ATOM 709 CG LYS A 48 9.111 -4.249 -4.743 1.00 0.00 C ATOM 710 CD LYS A 48 9.328 -5.114 -3.489 1.00 0.00 C ATOM 711 CE LYS A 48 9.217 -4.357 -2.157 1.00 0.00 C ATOM 712 NZ LYS A 48 10.098 -3.179 -2.112 1.00 0.00 N ATOM 0 H LYS A 48 5.735 -2.231 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 48 6.722 -4.662 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.975 -2.587 -5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.700 -2.930 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.105 -4.906 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.968 -3.585 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.598 -5.924 -3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.314 -5.574 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.185 -4.042 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.470 -5.029 -1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.028 -2.729 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.081 -3.474 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.809 -2.501 -2.845 1.00 0.00 H new ATOM 726 N LEU A 49 5.737 -4.840 -2.927 1.00 0.00 N ATOM 727 CA LEU A 49 5.400 -5.769 -1.857 1.00 0.00 C ATOM 728 C LEU A 49 4.196 -6.642 -2.240 1.00 0.00 C ATOM 729 O LEU A 49 4.205 -7.847 -2.000 1.00 0.00 O ATOM 730 CB LEU A 49 5.178 -5.004 -0.543 1.00 0.00 C ATOM 731 CG LEU A 49 5.492 -5.878 0.683 1.00 0.00 C ATOM 732 CD1 LEU A 49 7.004 -5.957 0.934 1.00 0.00 C ATOM 733 CD2 LEU A 49 4.834 -5.300 1.937 1.00 0.00 C ATOM 0 H LEU A 49 5.608 -3.860 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 49 6.237 -6.450 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.809 -4.115 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.144 -4.662 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 49 5.101 -6.874 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.196 -6.581 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.495 -6.390 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.396 -4.956 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.067 -5.932 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.212 -4.293 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.754 -5.263 1.797 1.00 0.00 H new ATOM 745 N ASN A 50 3.171 -6.037 -2.853 1.00 0.00 N ATOM 746 CA ASN A 50 1.997 -6.723 -3.381 1.00 0.00 C ATOM 747 C ASN A 50 2.414 -7.813 -4.374 1.00 0.00 C ATOM 748 O ASN A 50 2.063 -8.978 -4.203 1.00 0.00 O ATOM 749 CB ASN A 50 1.071 -5.681 -4.031 1.00 0.00 C ATOM 750 CG ASN A 50 -0.037 -6.284 -4.895 1.00 0.00 C ATOM 751 OD1 ASN A 50 -1.070 -6.712 -4.385 1.00 0.00 O ATOM 752 ND2 ASN A 50 0.166 -6.307 -6.214 1.00 0.00 N ATOM 0 H ASN A 50 3.140 -5.028 -2.997 1.00 0.00 H new ATOM 0 HA ASN A 50 1.457 -7.219 -2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.617 -5.075 -3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.671 -5.010 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.549 -6.689 -6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.036 -5.943 -6.603 1.00 0.00 H new ATOM 759 N ASP A 51 3.164 -7.421 -5.408 1.00 0.00 N ATOM 760 CA ASP A 51 3.599 -8.282 -6.495 1.00 0.00 C ATOM 761 C ASP A 51 4.447 -9.447 -5.980 1.00 0.00 C ATOM 762 O ASP A 51 4.183 -10.597 -6.324 1.00 0.00 O ATOM 763 CB ASP A 51 4.370 -7.439 -7.517 1.00 0.00 C ATOM 764 CG ASP A 51 4.847 -8.280 -8.696 1.00 0.00 C ATOM 765 OD1 ASP A 51 4.023 -8.498 -9.610 1.00 0.00 O ATOM 766 OD2 ASP A 51 6.028 -8.691 -8.662 1.00 0.00 O ATOM 0 H ASP A 51 3.493 -6.461 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 51 2.725 -8.721 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.732 -6.633 -7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.228 -6.973 -7.032 1.00 0.00 H new ATOM 771 N SER A 52 5.463 -9.147 -5.160 1.00 0.00 N ATOM 772 CA SER A 52 6.364 -10.145 -4.598 1.00 0.00 C ATOM 773 C SER A 52 5.619 -11.180 -3.748 1.00 0.00 C ATOM 774 O SER A 52 6.019 -12.342 -3.724 1.00 0.00 O ATOM 775 CB SER A 52 7.486 -9.462 -3.809 1.00 0.00 C ATOM 776 OG SER A 52 6.959 -8.677 -2.763 1.00 0.00 O ATOM 0 H SER A 52 5.679 -8.194 -4.869 1.00 0.00 H new ATOM 0 HA SER A 52 6.814 -10.695 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.159 -10.215 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.077 -8.836 -4.477 1.00 0.00 H new ATOM 0 HG SER A 52 6.535 -7.876 -3.137 1.00 0.00 H new ATOM 782 N GLN A 53 4.526 -10.780 -3.083 1.00 0.00 N ATOM 783 CA GLN A 53 3.692 -11.684 -2.300 1.00 0.00 C ATOM 784 C GLN A 53 2.615 -12.283 -3.210 1.00 0.00 C ATOM 785 O GLN A 53 1.423 -12.179 -2.931 1.00 0.00 O ATOM 786 CB GLN A 53 3.069 -10.917 -1.124 1.00 0.00 C ATOM 787 CG GLN A 53 4.121 -10.464 -0.103 1.00 0.00 C ATOM 788 CD GLN A 53 3.481 -9.643 1.014 1.00 0.00 C ATOM 789 OE1 GLN A 53 3.469 -10.060 2.170 1.00 0.00 O ATOM 790 NE2 GLN A 53 2.948 -8.470 0.671 1.00 0.00 N ATOM 0 H GLN A 53 4.199 -9.814 -3.077 1.00 0.00 H new ATOM 0 HA GLN A 53 4.291 -12.498 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.535 -10.046 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.334 -11.551 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.620 -11.335 0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.886 -9.870 -0.603 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.979 -8.160 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.509 -7.882 1.380 1.00 0.00 H new ATOM 799 N ALA A 54 3.043 -12.924 -4.305 1.00 0.00 N ATOM 800 CA ALA A 54 2.154 -13.556 -5.268 1.00 0.00 C ATOM 801 C ALA A 54 1.439 -14.746 -4.612 1.00 0.00 C ATOM 802 O ALA A 54 2.124 -15.651 -4.137 1.00 0.00 O ATOM 803 CB ALA A 54 2.969 -14.022 -6.477 1.00 0.00 C ATOM 0 H ALA A 54 4.031 -13.015 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 54 1.402 -12.840 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.307 -14.496 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.457 -13.164 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.724 -14.738 -6.153 1.00 0.00 H new ATOM 809 N PRO A 55 0.092 -14.773 -4.572 1.00 0.00 N ATOM 810 CA PRO A 55 -0.684 -15.883 -4.029 1.00 0.00 C ATOM 811 C PRO A 55 -0.248 -17.238 -4.594 1.00 0.00 C ATOM 812 O PRO A 55 0.012 -18.169 -3.835 1.00 0.00 O ATOM 813 CB PRO A 55 -2.146 -15.569 -4.362 1.00 0.00 C ATOM 814 CG PRO A 55 -2.163 -14.043 -4.389 1.00 0.00 C ATOM 815 CD PRO A 55 -0.802 -13.708 -4.997 1.00 0.00 C ATOM 0 HA PRO A 55 -0.529 -15.974 -2.954 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.443 -15.994 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.827 -15.968 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.984 -13.657 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.277 -13.621 -3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.861 -13.657 -6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.447 -12.737 -4.651 1.00 0.00 H new ATOM 823 N LYS A 56 -0.155 -17.335 -5.926 1.00 0.00 N ATOM 824 CA LYS A 56 0.394 -18.496 -6.611 1.00 0.00 C ATOM 825 C LYS A 56 1.920 -18.440 -6.501 1.00 0.00 C ATOM 826 O LYS A 56 2.491 -19.421 -5.978 1.00 0.00 O ATOM 827 CB LYS A 56 -0.044 -18.504 -8.084 1.00 0.00 C ATOM 828 CG LYS A 56 -1.445 -19.084 -8.340 1.00 0.00 C ATOM 829 CD LYS A 56 -2.605 -18.292 -7.718 1.00 0.00 C ATOM 830 CE LYS A 56 -3.082 -18.908 -6.396 1.00 0.00 C ATOM 831 NZ LYS A 56 -4.171 -18.122 -5.849 1.00 0.00 N ATOM 832 OXT LYS A 56 2.487 -17.417 -6.944 1.00 0.00 O ATOM 0 H LYS A 56 -0.464 -16.598 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 56 0.024 -19.412 -6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.015 -17.482 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.682 -19.078 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.604 -19.145 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.475 -20.103 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.289 -17.263 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.437 -18.256 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.410 -19.934 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.257 -18.947 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.138 -18.159 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.079 -17.135 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.078 -18.507 -6.181 1.00 0.00 H new TER 845 LYS A 56