USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 74 ASN : amide:sc= 0.0421 K(o=0.33,f=-2.9!) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.287 K(o=0.33,f=-0.58) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.014) USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0.224 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.099 (180deg=-0.478) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0.952 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.199 X(o=0.2,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= 1.31 (180deg=1.23) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -4.39! C(o=-4.4!,f=-3.9!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.77) USER MOD Single : A 27 SER OG : rot 180:sc= -0.417 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.225 K(o=-0.22,f=-0.91) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 123:sc= 1.27 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 162:sc= -0.44 USER MOD Single : A 53 TYR OH : rot -123:sc= 0.158 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.04) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.717 K(o=0.72,f=-0.28) USER MOD Single : A 78 GLN : amide:sc= -0.972 K(o=-0.97,f=-0.0085) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.323 -20.950 -13.837 1.00 33.00 N ATOM 2 CA MET A 1 3.448 -21.674 -13.227 1.00 32.00 C ATOM 3 C MET A 1 4.695 -20.790 -13.291 1.00 54.00 C ATOM 4 O MET A 1 5.007 -20.091 -12.345 1.00 12.00 O ATOM 5 CB MET A 1 3.674 -23.014 -13.948 1.00 42.00 C ATOM 6 CG MET A 1 4.750 -23.899 -13.334 1.00 72.00 C ATOM 7 SD MET A 1 5.057 -25.399 -14.306 1.00 51.00 S ATOM 8 CE MET A 1 3.438 -26.180 -14.281 1.00 55.00 C ATOM 0 H1 MET A 1 1.468 -21.541 -13.799 1.00 33.00 H new ATOM 0 H2 MET A 1 2.155 -20.066 -13.316 1.00 33.00 H new ATOM 0 H3 MET A 1 2.548 -20.730 -14.828 1.00 33.00 H new ATOM 0 HA MET A 1 3.226 -21.899 -12.184 1.00 32.00 H new ATOM 0 HB2 MET A 1 2.734 -23.566 -13.961 1.00 42.00 H new ATOM 0 HB3 MET A 1 3.939 -22.811 -14.986 1.00 42.00 H new ATOM 0 HG2 MET A 1 5.676 -23.331 -13.247 1.00 72.00 H new ATOM 0 HG3 MET A 1 4.452 -24.180 -12.324 1.00 72.00 H new ATOM 0 HE1 MET A 1 3.535 -27.228 -14.565 1.00 55.00 H new ATOM 0 HE2 MET A 1 3.017 -26.114 -13.278 1.00 55.00 H new ATOM 0 HE3 MET A 1 2.778 -25.673 -14.985 1.00 55.00 H new ATOM 18 N GLN A 2 5.392 -20.809 -14.419 1.00 61.00 N ATOM 19 CA GLN A 2 6.498 -19.880 -14.662 1.00 5.00 C ATOM 20 C GLN A 2 6.218 -19.156 -15.947 1.00 75.00 C ATOM 21 O GLN A 2 7.000 -18.329 -16.417 1.00 44.00 O ATOM 22 CB GLN A 2 7.833 -20.597 -14.788 1.00 21.00 C ATOM 23 CG GLN A 2 8.345 -21.227 -13.523 1.00 35.00 C ATOM 24 CD GLN A 2 9.706 -21.835 -13.728 1.00 22.00 C ATOM 25 OE1 GLN A 2 10.731 -21.164 -13.558 1.00 13.00 O ATOM 26 NE2 GLN A 2 9.746 -23.086 -14.096 1.00 54.00 N ATOM 0 H GLN A 2 5.214 -21.458 -15.185 1.00 61.00 H new ATOM 0 HA GLN A 2 6.568 -19.197 -13.815 1.00 5.00 H new ATOM 0 HB2 GLN A 2 7.740 -21.372 -15.549 1.00 21.00 H new ATOM 0 HB3 GLN A 2 8.577 -19.885 -15.147 1.00 21.00 H new ATOM 0 HG2 GLN A 2 8.395 -20.476 -12.734 1.00 35.00 H new ATOM 0 HG3 GLN A 2 7.648 -21.995 -13.188 1.00 35.00 H new ATOM 0 HE21 GLN A 2 8.879 -23.607 -14.226 1.00 54.00 H new ATOM 0 HE22 GLN A 2 10.644 -23.543 -14.253 1.00 54.00 H new ATOM 35 N THR A 3 5.100 -19.487 -16.499 1.00 42.00 N ATOM 36 CA THR A 3 4.645 -18.995 -17.731 1.00 50.00 C ATOM 37 C THR A 3 4.160 -17.566 -17.587 1.00 72.00 C ATOM 38 O THR A 3 3.693 -17.141 -16.501 1.00 75.00 O ATOM 39 CB THR A 3 3.497 -19.895 -18.173 1.00 40.00 C ATOM 40 OG1 THR A 3 3.440 -21.037 -17.255 1.00 54.00 O ATOM 41 CG2 THR A 3 3.754 -20.405 -19.576 1.00 61.00 C ATOM 0 H THR A 3 4.451 -20.146 -16.069 1.00 42.00 H new ATOM 0 HA THR A 3 5.450 -18.996 -18.466 1.00 50.00 H new ATOM 0 HB THR A 3 2.560 -19.338 -18.162 1.00 40.00 H new ATOM 0 HG1 THR A 3 2.707 -21.632 -17.518 1.00 54.00 H new ATOM 0 HG21 THR A 3 2.930 -21.048 -19.886 1.00 61.00 H new ATOM 0 HG22 THR A 3 3.834 -19.561 -20.261 1.00 61.00 H new ATOM 0 HG23 THR A 3 4.684 -20.974 -19.592 1.00 61.00 H new ATOM 49 N ASP A 4 4.295 -16.834 -18.633 1.00 10.00 N ATOM 50 CA ASP A 4 3.831 -15.487 -18.691 1.00 51.00 C ATOM 51 C ASP A 4 2.370 -15.585 -19.123 1.00 3.00 C ATOM 52 O ASP A 4 1.983 -16.594 -19.742 1.00 55.00 O ATOM 53 CB ASP A 4 4.712 -14.733 -19.692 1.00 2.00 C ATOM 54 CG ASP A 4 4.480 -13.260 -19.760 1.00 0.00 C ATOM 55 OD1 ASP A 4 3.642 -12.837 -20.527 1.00 0.00 O ATOM 56 OD2 ASP A 4 5.213 -12.512 -19.077 1.00 61.00 O ATOM 0 H ASP A 4 4.739 -17.157 -19.492 1.00 10.00 H new ATOM 0 HA ASP A 4 3.890 -14.943 -17.748 1.00 51.00 H new ATOM 0 HB2 ASP A 4 5.757 -14.909 -19.436 1.00 2.00 H new ATOM 0 HB3 ASP A 4 4.551 -15.156 -20.684 1.00 2.00 H new ATOM 61 N THR A 5 1.551 -14.643 -18.777 1.00 31.00 N ATOM 62 CA THR A 5 0.134 -14.781 -19.051 1.00 73.00 C ATOM 63 C THR A 5 -0.579 -13.461 -18.956 1.00 50.00 C ATOM 64 O THR A 5 -0.103 -12.535 -18.329 1.00 53.00 O ATOM 65 CB THR A 5 -0.538 -15.816 -18.082 1.00 74.00 C ATOM 66 OG1 THR A 5 -1.959 -15.940 -18.351 1.00 54.00 O ATOM 67 CG2 THR A 5 -0.344 -15.432 -16.619 1.00 3.00 C ATOM 0 H THR A 5 1.822 -13.777 -18.310 1.00 31.00 H new ATOM 0 HA THR A 5 0.046 -15.150 -20.073 1.00 73.00 H new ATOM 0 HB THR A 5 -0.048 -16.772 -18.263 1.00 74.00 H new ATOM 0 HG1 THR A 5 -2.447 -16.011 -17.504 1.00 54.00 H new ATOM 0 HG21 THR A 5 -0.824 -16.174 -15.981 1.00 3.00 H new ATOM 0 HG22 THR A 5 0.721 -15.393 -16.391 1.00 3.00 H new ATOM 0 HG23 THR A 5 -0.790 -14.454 -16.437 1.00 3.00 H new ATOM 75 N LEU A 6 -1.739 -13.381 -19.575 1.00 5.00 N ATOM 76 CA LEU A 6 -2.505 -12.191 -19.513 1.00 1.00 C ATOM 77 C LEU A 6 -3.318 -12.105 -18.219 1.00 24.00 C ATOM 78 O LEU A 6 -3.134 -12.934 -17.324 1.00 24.00 O ATOM 79 CB LEU A 6 -3.310 -11.963 -20.797 1.00 41.00 C ATOM 80 CG LEU A 6 -2.448 -11.487 -21.985 1.00 32.00 C ATOM 81 CD1 LEU A 6 -1.561 -12.565 -22.582 1.00 33.00 C ATOM 82 CD2 LEU A 6 -3.248 -10.751 -23.033 1.00 23.00 C ATOM 0 H LEU A 6 -2.157 -14.134 -20.122 1.00 5.00 H new ATOM 0 HA LEU A 6 -1.819 -11.346 -19.465 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -3.813 -12.890 -21.071 1.00 41.00 H new ATOM 0 HB3 LEU A 6 -4.088 -11.224 -20.603 1.00 41.00 H new ATOM 0 HG LEU A 6 -1.759 -10.762 -21.552 1.00 32.00 H new ATOM 0 HD11 LEU A 6 -0.989 -12.148 -23.411 1.00 33.00 H new ATOM 0 HD12 LEU A 6 -0.877 -12.937 -21.819 1.00 33.00 H new ATOM 0 HD13 LEU A 6 -2.180 -13.386 -22.945 1.00 33.00 H new ATOM 0 HD21 LEU A 6 -2.588 -10.441 -23.843 1.00 23.00 H new ATOM 0 HD22 LEU A 6 -4.023 -11.408 -23.427 1.00 23.00 H new ATOM 0 HD23 LEU A 6 -3.711 -9.872 -22.586 1.00 23.00 H new ATOM 94 N GLU A 7 -4.268 -11.160 -18.155 1.00 0.00 N ATOM 95 CA GLU A 7 -4.922 -10.777 -16.914 1.00 42.00 C ATOM 96 C GLU A 7 -5.876 -11.870 -16.450 1.00 53.00 C ATOM 97 O GLU A 7 -6.366 -11.870 -15.320 1.00 51.00 O ATOM 98 CB GLU A 7 -5.692 -9.474 -17.140 1.00 64.00 C ATOM 99 CG GLU A 7 -6.252 -8.891 -15.870 1.00 64.00 C ATOM 100 CD GLU A 7 -6.942 -7.579 -16.070 1.00 14.00 C ATOM 101 OE1 GLU A 7 -6.253 -6.568 -16.250 1.00 24.00 O ATOM 102 OE2 GLU A 7 -8.175 -7.529 -16.029 1.00 13.00 O ATOM 0 H GLU A 7 -4.599 -10.644 -18.970 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.167 -10.633 -16.141 1.00 42.00 H new ATOM 0 HB2 GLU A 7 -5.030 -8.744 -17.607 1.00 64.00 H new ATOM 0 HB3 GLU A 7 -6.508 -9.658 -17.839 1.00 64.00 H new ATOM 0 HG2 GLU A 7 -6.956 -9.600 -15.433 1.00 64.00 H new ATOM 0 HG3 GLU A 7 -5.443 -8.761 -15.151 1.00 64.00 H new ATOM 109 N TYR A 8 -6.109 -12.809 -17.360 1.00 21.00 N ATOM 110 CA TYR A 8 -7.011 -13.923 -17.221 1.00 42.00 C ATOM 111 C TYR A 8 -8.425 -13.523 -16.848 1.00 20.00 C ATOM 112 O TYR A 8 -9.226 -14.339 -16.392 1.00 1.00 O ATOM 113 CB TYR A 8 -6.457 -15.117 -16.393 1.00 23.00 C ATOM 114 CG TYR A 8 -6.027 -14.861 -14.952 1.00 62.00 C ATOM 115 CD1 TYR A 8 -6.946 -14.877 -13.908 1.00 21.00 C ATOM 116 CD2 TYR A 8 -4.690 -14.628 -14.640 1.00 71.00 C ATOM 117 CE1 TYR A 8 -6.547 -14.661 -12.600 1.00 74.00 C ATOM 118 CE2 TYR A 8 -4.286 -14.417 -13.338 1.00 45.00 C ATOM 119 CZ TYR A 8 -5.217 -14.434 -12.321 1.00 42.00 C ATOM 120 OH TYR A 8 -4.807 -14.231 -11.011 1.00 42.00 O ATOM 0 H TYR A 8 -5.640 -12.803 -18.266 1.00 21.00 H new ATOM 0 HA TYR A 8 -7.085 -14.323 -18.232 1.00 42.00 H new ATOM 0 HB2 TYR A 8 -7.221 -15.894 -16.379 1.00 23.00 H new ATOM 0 HB3 TYR A 8 -5.599 -15.523 -16.929 1.00 23.00 H new ATOM 0 HD1 TYR A 8 -7.989 -15.061 -14.121 1.00 21.00 H new ATOM 0 HD2 TYR A 8 -3.956 -14.612 -15.432 1.00 71.00 H new ATOM 0 HE1 TYR A 8 -7.275 -14.670 -11.802 1.00 74.00 H new ATOM 0 HE2 TYR A 8 -3.244 -14.239 -13.116 1.00 45.00 H new ATOM 0 HH TYR A 8 -3.838 -14.087 -10.990 1.00 42.00 H new ATOM 130 N GLN A 9 -8.755 -12.309 -17.186 1.00 50.00 N ATOM 131 CA GLN A 9 -9.988 -11.709 -16.853 1.00 45.00 C ATOM 132 C GLN A 9 -10.404 -10.892 -18.005 1.00 61.00 C ATOM 133 O GLN A 9 -9.787 -9.885 -18.344 1.00 21.00 O ATOM 134 CB GLN A 9 -9.866 -10.862 -15.599 1.00 14.00 C ATOM 135 CG GLN A 9 -9.616 -11.684 -14.362 1.00 54.00 C ATOM 136 CD GLN A 9 -9.284 -10.843 -13.166 1.00 71.00 C ATOM 137 OE1 GLN A 9 -10.165 -10.429 -12.416 1.00 22.00 O ATOM 138 NE2 GLN A 9 -8.023 -10.586 -12.975 1.00 70.00 N ATOM 0 H GLN A 9 -8.139 -11.697 -17.722 1.00 50.00 H new ATOM 0 HA GLN A 9 -10.735 -12.474 -16.639 1.00 45.00 H new ATOM 0 HB2 GLN A 9 -9.052 -10.148 -15.726 1.00 14.00 H new ATOM 0 HB3 GLN A 9 -10.780 -10.283 -15.467 1.00 14.00 H new ATOM 0 HG2 GLN A 9 -10.499 -12.284 -14.145 1.00 54.00 H new ATOM 0 HG3 GLN A 9 -8.797 -12.378 -14.551 1.00 54.00 H new ATOM 0 HE21 GLN A 9 -7.324 -10.950 -13.623 1.00 70.00 H new ATOM 0 HE22 GLN A 9 -7.733 -10.020 -12.177 1.00 70.00 H new ATOM 147 N CYS A 10 -11.354 -11.379 -18.655 1.00 1.00 N ATOM 148 CA CYS A 10 -11.903 -10.750 -19.802 1.00 3.00 C ATOM 149 C CYS A 10 -13.400 -10.864 -19.701 1.00 44.00 C ATOM 150 O CYS A 10 -13.901 -11.799 -19.086 1.00 12.00 O ATOM 151 CB CYS A 10 -11.389 -11.457 -21.058 1.00 42.00 C ATOM 152 SG CYS A 10 -9.605 -11.335 -21.369 1.00 25.00 S ATOM 0 H CYS A 10 -11.805 -12.261 -18.413 1.00 1.00 H new ATOM 0 HA CYS A 10 -11.612 -9.701 -19.861 1.00 3.00 H new ATOM 0 HB2 CYS A 10 -11.654 -12.512 -20.991 1.00 42.00 H new ATOM 0 HB3 CYS A 10 -11.916 -11.050 -21.921 1.00 42.00 H new ATOM 157 N ASP A 11 -14.120 -9.939 -20.284 1.00 11.00 N ATOM 158 CA ASP A 11 -15.593 -9.954 -20.198 1.00 61.00 C ATOM 159 C ASP A 11 -16.175 -11.079 -21.058 1.00 41.00 C ATOM 160 O ASP A 11 -17.340 -11.466 -20.934 1.00 63.00 O ATOM 161 CB ASP A 11 -16.153 -8.587 -20.610 1.00 54.00 C ATOM 162 CG ASP A 11 -17.662 -8.503 -20.538 1.00 35.00 C ATOM 163 OD1 ASP A 11 -18.219 -8.386 -19.420 1.00 64.00 O ATOM 164 OD2 ASP A 11 -18.322 -8.522 -21.598 1.00 63.00 O ATOM 0 H ASP A 11 -13.733 -9.165 -20.823 1.00 11.00 H new ATOM 0 HA ASP A 11 -15.887 -10.148 -19.166 1.00 61.00 H new ATOM 0 HB2 ASP A 11 -15.724 -7.819 -19.966 1.00 54.00 H new ATOM 0 HB3 ASP A 11 -15.833 -8.365 -21.628 1.00 54.00 H new ATOM 169 N GLU A 12 -15.333 -11.618 -21.892 1.00 1.00 N ATOM 170 CA GLU A 12 -15.686 -12.653 -22.792 1.00 2.00 C ATOM 171 C GLU A 12 -15.555 -13.992 -22.099 1.00 42.00 C ATOM 172 O GLU A 12 -16.539 -14.703 -21.857 1.00 43.00 O ATOM 173 CB GLU A 12 -14.696 -12.621 -23.944 1.00 11.00 C ATOM 174 CG GLU A 12 -14.535 -11.264 -24.581 1.00 54.00 C ATOM 175 CD GLU A 12 -15.693 -10.874 -25.433 1.00 62.00 C ATOM 176 OE1 GLU A 12 -16.653 -10.261 -24.943 1.00 42.00 O ATOM 177 OE2 GLU A 12 -15.636 -11.144 -26.630 1.00 61.00 O ATOM 0 H GLU A 12 -14.356 -11.334 -21.959 1.00 1.00 H new ATOM 0 HA GLU A 12 -16.710 -12.515 -23.140 1.00 2.00 H new ATOM 0 HB2 GLU A 12 -13.724 -12.958 -23.583 1.00 11.00 H new ATOM 0 HB3 GLU A 12 -15.018 -13.332 -24.705 1.00 11.00 H new ATOM 0 HG2 GLU A 12 -14.400 -10.517 -23.799 1.00 54.00 H new ATOM 0 HG3 GLU A 12 -13.629 -11.259 -25.187 1.00 54.00 H new ATOM 184 N LYS A 13 -14.334 -14.275 -21.714 1.00 41.00 N ATOM 185 CA LYS A 13 -13.896 -15.575 -21.256 1.00 62.00 C ATOM 186 C LYS A 13 -12.758 -15.292 -20.303 1.00 22.00 C ATOM 187 O LYS A 13 -12.293 -14.157 -20.265 1.00 35.00 O ATOM 188 CB LYS A 13 -13.254 -16.335 -22.451 1.00 25.00 C ATOM 189 CG LYS A 13 -13.996 -16.278 -23.792 1.00 41.00 C ATOM 190 CD LYS A 13 -15.313 -17.024 -23.778 1.00 61.00 C ATOM 191 CE LYS A 13 -15.142 -18.501 -23.460 1.00 52.00 C ATOM 192 NZ LYS A 13 -16.435 -19.190 -23.453 1.00 32.00 N ATOM 0 H LYS A 13 -13.588 -13.580 -21.710 1.00 41.00 H new ATOM 0 HA LYS A 13 -14.718 -16.144 -20.823 1.00 62.00 H new ATOM 0 HB2 LYS A 13 -12.249 -15.941 -22.603 1.00 25.00 H new ATOM 0 HB3 LYS A 13 -13.146 -17.382 -22.168 1.00 25.00 H new ATOM 0 HG2 LYS A 13 -14.179 -15.236 -24.054 1.00 41.00 H new ATOM 0 HG3 LYS A 13 -13.358 -16.695 -24.571 1.00 41.00 H new ATOM 0 HD2 LYS A 13 -15.976 -16.571 -23.040 1.00 61.00 H new ATOM 0 HD3 LYS A 13 -15.797 -16.918 -24.749 1.00 61.00 H new ATOM 0 HE2 LYS A 13 -14.485 -18.962 -24.197 1.00 52.00 H new ATOM 0 HE3 LYS A 13 -14.660 -18.614 -22.489 1.00 52.00 H new ATOM 0 HZ1 LYS A 13 -16.328 -20.124 -23.009 1.00 32.00 H new ATOM 0 HZ2 LYS A 13 -17.125 -18.628 -22.915 1.00 32.00 H new ATOM 0 HZ3 LYS A 13 -16.771 -19.308 -24.430 1.00 32.00 H new ATOM 206 N PRO A 14 -12.291 -16.248 -19.517 1.00 72.00 N ATOM 207 CA PRO A 14 -11.066 -16.062 -18.773 1.00 72.00 C ATOM 208 C PRO A 14 -9.880 -16.319 -19.727 1.00 40.00 C ATOM 209 O PRO A 14 -9.832 -17.356 -20.382 1.00 14.00 O ATOM 210 CB PRO A 14 -11.124 -17.139 -17.671 1.00 74.00 C ATOM 211 CG PRO A 14 -12.454 -17.822 -17.834 1.00 32.00 C ATOM 212 CD PRO A 14 -12.903 -17.551 -19.241 1.00 0.00 C ATOM 0 HA PRO A 14 -10.948 -15.063 -18.353 1.00 72.00 H new ATOM 0 HB2 PRO A 14 -10.304 -17.850 -17.776 1.00 74.00 H new ATOM 0 HB3 PRO A 14 -11.033 -16.691 -16.681 1.00 74.00 H new ATOM 0 HG2 PRO A 14 -12.364 -18.893 -17.655 1.00 32.00 H new ATOM 0 HG3 PRO A 14 -13.178 -17.438 -17.115 1.00 32.00 H new ATOM 0 HD2 PRO A 14 -12.557 -18.318 -19.934 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.989 -17.516 -19.322 1.00 0.00 H new ATOM 220 N LEU A 15 -8.920 -15.417 -19.800 1.00 32.00 N ATOM 221 CA LEU A 15 -7.880 -15.560 -20.775 1.00 74.00 C ATOM 222 C LEU A 15 -6.589 -15.799 -20.096 1.00 13.00 C ATOM 223 O LEU A 15 -5.828 -14.863 -19.801 1.00 22.00 O ATOM 224 CB LEU A 15 -7.770 -14.342 -21.690 1.00 50.00 C ATOM 225 CG LEU A 15 -6.670 -14.407 -22.766 1.00 54.00 C ATOM 226 CD1 LEU A 15 -6.924 -15.537 -23.759 1.00 24.00 C ATOM 227 CD2 LEU A 15 -6.531 -13.079 -23.484 1.00 40.00 C ATOM 0 H LEU A 15 -8.846 -14.594 -19.202 1.00 32.00 H new ATOM 0 HA LEU A 15 -8.135 -16.414 -21.403 1.00 74.00 H new ATOM 0 HB2 LEU A 15 -8.729 -14.197 -22.187 1.00 50.00 H new ATOM 0 HB3 LEU A 15 -7.595 -13.462 -21.072 1.00 50.00 H new ATOM 0 HG LEU A 15 -5.729 -14.619 -22.258 1.00 54.00 H new ATOM 0 HD11 LEU A 15 -6.128 -15.553 -24.504 1.00 24.00 H new ATOM 0 HD12 LEU A 15 -6.944 -16.489 -23.229 1.00 24.00 H new ATOM 0 HD13 LEU A 15 -7.882 -15.377 -24.255 1.00 24.00 H new ATOM 0 HD21 LEU A 15 -5.748 -13.153 -24.238 1.00 40.00 H new ATOM 0 HD22 LEU A 15 -7.475 -12.825 -23.966 1.00 40.00 H new ATOM 0 HD23 LEU A 15 -6.270 -12.302 -22.765 1.00 40.00 H new ATOM 239 N THR A 16 -6.364 -17.007 -19.747 1.00 4.00 N ATOM 240 CA THR A 16 -5.131 -17.325 -19.157 1.00 52.00 C ATOM 241 C THR A 16 -4.276 -17.908 -20.263 1.00 74.00 C ATOM 242 O THR A 16 -4.757 -18.733 -21.054 1.00 35.00 O ATOM 243 CB THR A 16 -5.293 -18.327 -18.016 1.00 60.00 C ATOM 244 OG1 THR A 16 -6.532 -18.052 -17.350 1.00 14.00 O ATOM 245 CG2 THR A 16 -4.154 -18.156 -17.023 1.00 34.00 C ATOM 0 H THR A 16 -7.014 -17.785 -19.860 1.00 4.00 H new ATOM 0 HA THR A 16 -4.674 -16.438 -18.718 1.00 52.00 H new ATOM 0 HB THR A 16 -5.283 -19.344 -18.408 1.00 60.00 H new ATOM 0 HG1 THR A 16 -6.656 -18.687 -16.614 1.00 14.00 H new ATOM 0 HG21 THR A 16 -4.270 -18.872 -16.209 1.00 34.00 H new ATOM 0 HG22 THR A 16 -3.203 -18.331 -17.526 1.00 34.00 H new ATOM 0 HG23 THR A 16 -4.171 -17.143 -16.621 1.00 34.00 H new ATOM 253 N VAL A 17 -3.066 -17.489 -20.343 1.00 53.00 N ATOM 254 CA VAL A 17 -2.226 -17.854 -21.435 1.00 74.00 C ATOM 255 C VAL A 17 -1.000 -18.606 -20.954 1.00 1.00 C ATOM 256 O VAL A 17 -0.522 -18.373 -19.858 1.00 62.00 O ATOM 257 CB VAL A 17 -1.809 -16.584 -22.249 1.00 35.00 C ATOM 258 CG1 VAL A 17 -0.863 -16.925 -23.380 1.00 4.00 C ATOM 259 CG2 VAL A 17 -3.044 -15.899 -22.814 1.00 70.00 C ATOM 0 H VAL A 17 -2.624 -16.881 -19.653 1.00 53.00 H new ATOM 0 HA VAL A 17 -2.790 -18.518 -22.090 1.00 74.00 H new ATOM 0 HB VAL A 17 -1.290 -15.913 -21.564 1.00 35.00 H new ATOM 0 HG11 VAL A 17 -0.598 -16.016 -23.920 1.00 4.00 H new ATOM 0 HG12 VAL A 17 0.040 -17.382 -22.974 1.00 4.00 H new ATOM 0 HG13 VAL A 17 -1.348 -17.623 -24.062 1.00 4.00 H new ATOM 0 HG21 VAL A 17 -2.744 -15.016 -23.379 1.00 70.00 H new ATOM 0 HG22 VAL A 17 -3.573 -16.588 -23.472 1.00 70.00 H new ATOM 0 HG23 VAL A 17 -3.701 -15.601 -21.997 1.00 70.00 H new ATOM 269 N LYS A 18 -0.531 -19.543 -21.743 1.00 73.00 N ATOM 270 CA LYS A 18 0.705 -20.179 -21.480 1.00 10.00 C ATOM 271 C LYS A 18 1.701 -19.573 -22.401 1.00 42.00 C ATOM 272 O LYS A 18 2.068 -20.162 -23.404 1.00 65.00 O ATOM 273 CB LYS A 18 0.671 -21.709 -21.650 1.00 24.00 C ATOM 274 CG LYS A 18 0.065 -22.508 -20.494 1.00 70.00 C ATOM 275 CD LYS A 18 -1.411 -22.243 -20.263 1.00 53.00 C ATOM 276 CE LYS A 18 -1.942 -23.151 -19.159 1.00 64.00 C ATOM 277 NZ LYS A 18 -3.380 -22.975 -18.921 1.00 4.00 N ATOM 0 H LYS A 18 -1.008 -19.875 -22.582 1.00 73.00 H new ATOM 0 HA LYS A 18 0.963 -20.023 -20.432 1.00 10.00 H new ATOM 0 HB2 LYS A 18 0.110 -21.940 -22.556 1.00 24.00 H new ATOM 0 HB3 LYS A 18 1.691 -22.058 -21.809 1.00 24.00 H new ATOM 0 HG2 LYS A 18 0.206 -23.571 -20.688 1.00 70.00 H new ATOM 0 HG3 LYS A 18 0.612 -22.276 -19.580 1.00 70.00 H new ATOM 0 HD2 LYS A 18 -1.562 -21.199 -19.989 1.00 53.00 H new ATOM 0 HD3 LYS A 18 -1.967 -22.415 -21.184 1.00 53.00 H new ATOM 0 HE2 LYS A 18 -1.747 -24.190 -19.424 1.00 64.00 H new ATOM 0 HE3 LYS A 18 -1.398 -22.950 -18.236 1.00 64.00 H new ATOM 0 HZ1 LYS A 18 -3.687 -23.616 -18.162 1.00 4.00 H new ATOM 0 HZ2 LYS A 18 -3.568 -21.991 -18.641 1.00 4.00 H new ATOM 0 HZ3 LYS A 18 -3.905 -23.193 -19.792 1.00 4.00 H new ATOM 291 N LEU A 19 2.004 -18.333 -22.135 1.00 3.00 N ATOM 292 CA LEU A 19 2.925 -17.599 -22.895 1.00 63.00 C ATOM 293 C LEU A 19 4.286 -17.998 -22.437 1.00 42.00 C ATOM 294 O LEU A 19 4.741 -17.636 -21.339 1.00 43.00 O ATOM 295 CB LEU A 19 2.694 -16.121 -22.668 1.00 60.00 C ATOM 296 CG LEU A 19 2.943 -15.197 -23.837 1.00 65.00 C ATOM 297 CD1 LEU A 19 2.610 -13.770 -23.468 1.00 4.00 C ATOM 298 CD2 LEU A 19 4.354 -15.311 -24.405 1.00 20.00 C ATOM 0 H LEU A 19 1.597 -17.809 -21.360 1.00 3.00 H new ATOM 0 HA LEU A 19 2.815 -17.797 -23.961 1.00 63.00 H new ATOM 0 HB2 LEU A 19 1.662 -15.986 -22.344 1.00 60.00 H new ATOM 0 HB3 LEU A 19 3.331 -15.802 -21.843 1.00 60.00 H new ATOM 0 HG LEU A 19 2.274 -15.516 -24.636 1.00 65.00 H new ATOM 0 HD11 LEU A 19 2.796 -13.120 -24.323 1.00 4.00 H new ATOM 0 HD12 LEU A 19 1.560 -13.703 -23.183 1.00 4.00 H new ATOM 0 HD13 LEU A 19 3.234 -13.456 -22.631 1.00 4.00 H new ATOM 0 HD21 LEU A 19 4.466 -14.621 -25.241 1.00 20.00 H new ATOM 0 HD22 LEU A 19 5.079 -15.063 -23.630 1.00 20.00 H new ATOM 0 HD23 LEU A 19 4.526 -16.331 -24.750 1.00 20.00 H new ATOM 310 N ASN A 20 4.887 -18.804 -23.204 1.00 23.00 N ATOM 311 CA ASN A 20 6.200 -19.263 -22.875 1.00 12.00 C ATOM 312 C ASN A 20 7.205 -18.208 -23.304 1.00 10.00 C ATOM 313 O ASN A 20 7.256 -17.828 -24.461 1.00 14.00 O ATOM 314 CB ASN A 20 6.493 -20.582 -23.559 1.00 64.00 C ATOM 315 CG ASN A 20 7.721 -21.270 -23.011 1.00 44.00 C ATOM 316 OD1 ASN A 20 8.044 -21.158 -21.827 1.00 25.00 O ATOM 317 ND2 ASN A 20 8.396 -21.998 -23.848 1.00 55.00 N ATOM 0 H ASN A 20 4.504 -19.173 -24.074 1.00 23.00 H new ATOM 0 HA ASN A 20 6.271 -19.424 -21.799 1.00 12.00 H new ATOM 0 HB2 ASN A 20 5.633 -21.242 -23.447 1.00 64.00 H new ATOM 0 HB3 ASN A 20 6.626 -20.410 -24.627 1.00 64.00 H new ATOM 0 HD21 ASN A 20 9.225 -22.502 -23.533 1.00 55.00 H new ATOM 0 HD22 ASN A 20 8.097 -22.066 -24.821 1.00 55.00 H new ATOM 324 N ASN A 21 7.980 -17.726 -22.378 1.00 32.00 N ATOM 325 CA ASN A 21 8.946 -16.665 -22.667 1.00 74.00 C ATOM 326 C ASN A 21 10.131 -17.141 -23.553 1.00 64.00 C ATOM 327 O ASN A 21 10.457 -16.471 -24.528 1.00 61.00 O ATOM 328 CB ASN A 21 9.434 -15.998 -21.384 1.00 44.00 C ATOM 329 CG ASN A 21 10.305 -14.775 -21.625 1.00 33.00 C ATOM 330 OD1 ASN A 21 11.528 -14.864 -21.699 1.00 3.00 O ATOM 331 ND2 ASN A 21 9.691 -13.630 -21.736 1.00 42.00 N ATOM 0 H ASN A 21 7.975 -18.041 -21.408 1.00 32.00 H new ATOM 0 HA ASN A 21 8.415 -15.917 -23.256 1.00 74.00 H new ATOM 0 HB2 ASN A 21 8.571 -15.706 -20.785 1.00 44.00 H new ATOM 0 HB3 ASN A 21 9.997 -16.725 -20.798 1.00 44.00 H new ATOM 0 HD21 ASN A 21 10.228 -12.776 -21.889 1.00 42.00 H new ATOM 0 HD22 ASN A 21 8.674 -13.588 -21.670 1.00 42.00 H new ATOM 338 N PRO A 22 10.793 -18.314 -23.260 1.00 34.00 N ATOM 339 CA PRO A 22 11.914 -18.826 -24.090 1.00 12.00 C ATOM 340 C PRO A 22 11.468 -19.338 -25.472 1.00 23.00 C ATOM 341 O PRO A 22 12.294 -19.696 -26.311 1.00 71.00 O ATOM 342 CB PRO A 22 12.469 -20.006 -23.274 1.00 63.00 C ATOM 343 CG PRO A 22 11.906 -19.840 -21.911 1.00 44.00 C ATOM 344 CD PRO A 22 10.575 -19.202 -22.096 1.00 61.00 C ATOM 0 HA PRO A 22 12.633 -18.032 -24.292 1.00 12.00 H new ATOM 0 HB2 PRO A 22 12.171 -20.960 -23.709 1.00 63.00 H new ATOM 0 HB3 PRO A 22 13.559 -19.992 -23.254 1.00 63.00 H new ATOM 0 HG2 PRO A 22 11.812 -20.802 -21.407 1.00 44.00 H new ATOM 0 HG3 PRO A 22 12.555 -19.219 -21.293 1.00 44.00 H new ATOM 0 HD2 PRO A 22 9.797 -19.940 -22.291 1.00 61.00 H new ATOM 0 HD3 PRO A 22 10.269 -18.642 -21.212 1.00 61.00 H new ATOM 352 N ARG A 23 10.173 -19.362 -25.703 1.00 12.00 N ATOM 353 CA ARG A 23 9.608 -19.900 -26.901 1.00 65.00 C ATOM 354 C ARG A 23 8.189 -19.428 -26.944 1.00 22.00 C ATOM 355 O ARG A 23 7.312 -20.055 -26.389 1.00 53.00 O ATOM 356 CB ARG A 23 9.673 -21.417 -26.885 1.00 14.00 C ATOM 357 CG ARG A 23 9.240 -22.090 -28.158 1.00 33.00 C ATOM 358 CD ARG A 23 9.222 -23.583 -27.960 1.00 23.00 C ATOM 359 NE ARG A 23 8.925 -24.306 -29.181 1.00 42.00 N ATOM 360 CZ ARG A 23 7.817 -25.003 -29.413 1.00 71.00 C ATOM 361 NH1 ARG A 23 6.774 -24.934 -28.576 1.00 40.00 N ATOM 362 NH2 ARG A 23 7.746 -25.755 -30.494 1.00 15.00 N ATOM 0 H ARG A 23 9.480 -19.000 -25.047 1.00 12.00 H new ATOM 0 HA ARG A 23 10.157 -19.570 -27.783 1.00 65.00 H new ATOM 0 HB2 ARG A 23 10.697 -21.718 -26.664 1.00 14.00 H new ATOM 0 HB3 ARG A 23 9.049 -21.783 -26.069 1.00 14.00 H new ATOM 0 HG2 ARG A 23 8.249 -21.740 -28.448 1.00 33.00 H new ATOM 0 HG3 ARG A 23 9.920 -21.829 -28.969 1.00 33.00 H new ATOM 0 HD2 ARG A 23 10.190 -23.906 -27.578 1.00 23.00 H new ATOM 0 HD3 ARG A 23 8.480 -23.836 -27.203 1.00 23.00 H new ATOM 0 HE ARG A 23 9.624 -24.278 -29.923 1.00 42.00 H new ATOM 0 HH11 ARG A 23 6.823 -24.341 -27.748 1.00 40.00 H new ATOM 0 HH12 ARG A 23 5.930 -25.474 -28.767 1.00 40.00 H new ATOM 0 HH21 ARG A 23 8.535 -25.796 -31.139 1.00 15.00 H new ATOM 0 HH22 ARG A 23 6.902 -26.295 -30.685 1.00 15.00 H new ATOM 376 N GLN A 24 8.066 -18.251 -27.496 1.00 61.00 N ATOM 377 CA GLN A 24 6.866 -17.350 -27.663 1.00 31.00 C ATOM 378 C GLN A 24 5.579 -18.004 -28.189 1.00 72.00 C ATOM 379 O GLN A 24 4.736 -17.340 -28.804 1.00 60.00 O ATOM 380 CB GLN A 24 7.186 -16.134 -28.568 1.00 40.00 C ATOM 381 CG GLN A 24 8.271 -15.159 -28.086 1.00 25.00 C ATOM 382 CD GLN A 24 9.684 -15.645 -28.329 1.00 43.00 C ATOM 383 OE1 GLN A 24 10.251 -15.405 -29.391 1.00 14.00 O ATOM 384 NE2 GLN A 24 10.287 -16.263 -27.351 1.00 53.00 N ATOM 0 H GLN A 24 8.889 -17.809 -27.904 1.00 61.00 H new ATOM 0 HA GLN A 24 6.660 -17.051 -26.635 1.00 31.00 H new ATOM 0 HB2 GLN A 24 7.483 -16.511 -29.546 1.00 40.00 H new ATOM 0 HB3 GLN A 24 6.265 -15.569 -28.711 1.00 40.00 H new ATOM 0 HG2 GLN A 24 8.135 -14.202 -28.589 1.00 25.00 H new ATOM 0 HG3 GLN A 24 8.137 -14.980 -27.019 1.00 25.00 H new ATOM 0 HE21 GLN A 24 9.789 -16.448 -26.480 1.00 53.00 H new ATOM 0 HE22 GLN A 24 11.257 -16.561 -27.457 1.00 53.00 H new ATOM 393 N GLU A 25 5.414 -19.216 -27.905 1.00 55.00 N ATOM 394 CA GLU A 25 4.189 -19.908 -28.208 1.00 15.00 C ATOM 395 C GLU A 25 3.280 -19.855 -27.019 1.00 72.00 C ATOM 396 O GLU A 25 3.729 -19.963 -25.863 1.00 43.00 O ATOM 397 CB GLU A 25 4.390 -21.366 -28.609 1.00 51.00 C ATOM 398 CG GLU A 25 4.454 -21.613 -30.096 1.00 31.00 C ATOM 399 CD GLU A 25 5.704 -21.098 -30.754 1.00 42.00 C ATOM 400 OE1 GLU A 25 5.790 -19.895 -31.063 1.00 1.00 O ATOM 401 OE2 GLU A 25 6.618 -21.914 -31.004 1.00 13.00 O ATOM 0 H GLU A 25 6.120 -19.793 -27.447 1.00 55.00 H new ATOM 0 HA GLU A 25 3.753 -19.399 -29.067 1.00 15.00 H new ATOM 0 HB2 GLU A 25 5.312 -21.729 -28.155 1.00 51.00 H new ATOM 0 HB3 GLU A 25 3.575 -21.958 -28.192 1.00 51.00 H new ATOM 0 HG2 GLU A 25 4.376 -22.685 -30.278 1.00 31.00 H new ATOM 0 HG3 GLU A 25 3.590 -21.146 -30.568 1.00 31.00 H new ATOM 408 N VAL A 26 2.023 -19.675 -27.297 1.00 61.00 N ATOM 409 CA VAL A 26 1.008 -19.586 -26.296 1.00 41.00 C ATOM 410 C VAL A 26 0.072 -20.723 -26.437 1.00 43.00 C ATOM 411 O VAL A 26 -0.134 -21.251 -27.517 1.00 33.00 O ATOM 412 CB VAL A 26 0.193 -18.271 -26.404 1.00 72.00 C ATOM 413 CG1 VAL A 26 1.082 -17.078 -26.234 1.00 64.00 C ATOM 414 CG2 VAL A 26 -0.595 -18.174 -27.704 1.00 43.00 C ATOM 0 H VAL A 26 1.669 -19.584 -28.249 1.00 61.00 H new ATOM 0 HA VAL A 26 1.508 -19.605 -25.328 1.00 41.00 H new ATOM 0 HB VAL A 26 -0.535 -18.286 -25.593 1.00 72.00 H new ATOM 0 HG11 VAL A 26 0.488 -16.167 -26.314 1.00 64.00 H new ATOM 0 HG12 VAL A 26 1.558 -17.116 -25.254 1.00 64.00 H new ATOM 0 HG13 VAL A 26 1.847 -17.081 -27.010 1.00 64.00 H new ATOM 0 HG21 VAL A 26 -1.146 -17.234 -27.726 1.00 43.00 H new ATOM 0 HG22 VAL A 26 0.092 -18.212 -28.549 1.00 43.00 H new ATOM 0 HG23 VAL A 26 -1.295 -19.007 -27.768 1.00 43.00 H new ATOM 424 N SER A 27 -0.435 -21.137 -25.364 1.00 74.00 N ATOM 425 CA SER A 27 -1.463 -22.088 -25.343 1.00 31.00 C ATOM 426 C SER A 27 -2.492 -21.541 -24.415 1.00 61.00 C ATOM 427 O SER A 27 -2.188 -21.235 -23.264 1.00 63.00 O ATOM 428 CB SER A 27 -0.936 -23.441 -24.882 1.00 22.00 C ATOM 429 OG SER A 27 0.183 -23.835 -25.690 1.00 61.00 O ATOM 0 H SER A 27 -0.142 -20.818 -24.440 1.00 74.00 H new ATOM 0 HA SER A 27 -1.886 -22.260 -26.333 1.00 31.00 H new ATOM 0 HB2 SER A 27 -0.637 -23.386 -23.835 1.00 22.00 H new ATOM 0 HB3 SER A 27 -1.725 -24.190 -24.950 1.00 22.00 H new ATOM 0 HG SER A 27 0.516 -24.705 -25.386 1.00 61.00 H new ATOM 435 N PHE A 28 -3.652 -21.315 -24.910 1.00 41.00 N ATOM 436 CA PHE A 28 -4.670 -20.741 -24.093 1.00 35.00 C ATOM 437 C PHE A 28 -5.944 -21.512 -24.186 1.00 10.00 C ATOM 438 O PHE A 28 -6.059 -22.458 -24.964 1.00 23.00 O ATOM 439 CB PHE A 28 -4.878 -19.214 -24.321 1.00 33.00 C ATOM 440 CG PHE A 28 -5.384 -18.782 -25.672 1.00 63.00 C ATOM 441 CD1 PHE A 28 -6.736 -18.855 -25.984 1.00 73.00 C ATOM 442 CD2 PHE A 28 -4.519 -18.266 -26.609 1.00 22.00 C ATOM 443 CE1 PHE A 28 -7.203 -18.431 -27.208 1.00 43.00 C ATOM 444 CE2 PHE A 28 -4.982 -17.834 -27.829 1.00 32.00 C ATOM 445 CZ PHE A 28 -6.324 -17.918 -28.132 1.00 53.00 C ATOM 0 H PHE A 28 -3.926 -21.515 -25.872 1.00 41.00 H new ATOM 0 HA PHE A 28 -4.311 -20.821 -23.067 1.00 35.00 H new ATOM 0 HB2 PHE A 28 -5.577 -18.852 -23.567 1.00 33.00 H new ATOM 0 HB3 PHE A 28 -3.927 -18.713 -24.141 1.00 33.00 H new ATOM 0 HD1 PHE A 28 -7.430 -19.250 -25.257 1.00 73.00 H new ATOM 0 HD2 PHE A 28 -3.465 -18.200 -26.384 1.00 22.00 H new ATOM 0 HE1 PHE A 28 -8.255 -18.501 -27.441 1.00 43.00 H new ATOM 0 HE2 PHE A 28 -4.292 -17.427 -28.553 1.00 32.00 H new ATOM 0 HZ PHE A 28 -6.684 -17.582 -29.093 1.00 53.00 H new ATOM 455 N VAL A 29 -6.878 -21.083 -23.436 1.00 23.00 N ATOM 456 CA VAL A 29 -8.102 -21.747 -23.242 1.00 50.00 C ATOM 457 C VAL A 29 -9.195 -21.164 -24.121 1.00 32.00 C ATOM 458 O VAL A 29 -9.520 -19.985 -24.058 1.00 65.00 O ATOM 459 CB VAL A 29 -8.493 -21.736 -21.725 1.00 13.00 C ATOM 460 CG1 VAL A 29 -8.516 -20.312 -21.137 1.00 14.00 C ATOM 461 CG2 VAL A 29 -9.812 -22.457 -21.481 1.00 14.00 C ATOM 0 H VAL A 29 -6.806 -20.211 -22.912 1.00 23.00 H new ATOM 0 HA VAL A 29 -7.983 -22.787 -23.545 1.00 50.00 H new ATOM 0 HB VAL A 29 -7.712 -22.285 -21.198 1.00 13.00 H new ATOM 0 HG11 VAL A 29 -8.792 -20.358 -20.084 1.00 14.00 H new ATOM 0 HG12 VAL A 29 -7.528 -19.862 -21.234 1.00 14.00 H new ATOM 0 HG13 VAL A 29 -9.244 -19.707 -21.677 1.00 14.00 H new ATOM 0 HG21 VAL A 29 -10.051 -22.429 -20.418 1.00 14.00 H new ATOM 0 HG22 VAL A 29 -10.605 -21.965 -22.044 1.00 14.00 H new ATOM 0 HG23 VAL A 29 -9.726 -23.494 -21.806 1.00 14.00 H new ATOM 471 N TYR A 30 -9.681 -21.998 -24.979 1.00 74.00 N ATOM 472 CA TYR A 30 -10.803 -21.669 -25.849 1.00 11.00 C ATOM 473 C TYR A 30 -12.091 -21.623 -25.027 1.00 32.00 C ATOM 474 O TYR A 30 -12.931 -20.731 -25.200 1.00 40.00 O ATOM 475 CB TYR A 30 -10.924 -22.709 -26.980 1.00 52.00 C ATOM 476 CG TYR A 30 -12.097 -22.486 -27.918 1.00 62.00 C ATOM 477 CD1 TYR A 30 -12.051 -21.505 -28.894 1.00 2.00 C ATOM 478 CD2 TYR A 30 -13.247 -23.264 -27.826 1.00 44.00 C ATOM 479 CE1 TYR A 30 -13.115 -21.299 -29.751 1.00 54.00 C ATOM 480 CE2 TYR A 30 -14.313 -23.062 -28.681 1.00 33.00 C ATOM 481 CZ TYR A 30 -14.240 -22.076 -29.642 1.00 12.00 C ATOM 482 OH TYR A 30 -15.295 -21.874 -30.503 1.00 12.00 O ATOM 0 H TYR A 30 -9.319 -22.942 -25.111 1.00 74.00 H new ATOM 0 HA TYR A 30 -10.633 -20.691 -26.299 1.00 11.00 H new ATOM 0 HB2 TYR A 30 -10.003 -22.702 -27.563 1.00 52.00 H new ATOM 0 HB3 TYR A 30 -11.013 -23.701 -26.536 1.00 52.00 H new ATOM 0 HD1 TYR A 30 -11.168 -20.890 -28.987 1.00 2.00 H new ATOM 0 HD2 TYR A 30 -13.307 -24.038 -27.075 1.00 44.00 H new ATOM 0 HE1 TYR A 30 -13.061 -20.528 -30.505 1.00 54.00 H new ATOM 0 HE2 TYR A 30 -15.199 -23.673 -28.597 1.00 33.00 H new ATOM 0 HH TYR A 30 -16.014 -22.507 -30.294 1.00 12.00 H new ATOM 492 N ASP A 31 -12.223 -22.592 -24.128 1.00 23.00 N ATOM 493 CA ASP A 31 -13.388 -22.705 -23.250 1.00 34.00 C ATOM 494 C ASP A 31 -13.168 -23.856 -22.291 1.00 31.00 C ATOM 495 O ASP A 31 -13.230 -23.699 -21.066 1.00 4.00 O ATOM 496 CB ASP A 31 -14.684 -22.947 -24.056 1.00 43.00 C ATOM 497 CG ASP A 31 -15.943 -22.901 -23.202 1.00 20.00 C ATOM 498 OD1 ASP A 31 -16.348 -23.939 -22.629 1.00 63.00 O ATOM 499 OD2 ASP A 31 -16.562 -21.819 -23.105 1.00 23.00 O ATOM 0 H ASP A 31 -11.526 -23.323 -23.985 1.00 23.00 H new ATOM 0 HA ASP A 31 -13.503 -21.768 -22.705 1.00 34.00 H new ATOM 0 HB2 ASP A 31 -14.760 -22.196 -24.843 1.00 43.00 H new ATOM 0 HB3 ASP A 31 -14.622 -23.918 -24.547 1.00 43.00 H new ATOM 504 N ASN A 32 -12.895 -25.011 -22.847 1.00 2.00 N ATOM 505 CA ASN A 32 -12.651 -26.208 -22.055 1.00 61.00 C ATOM 506 C ASN A 32 -11.574 -27.048 -22.748 1.00 50.00 C ATOM 507 O ASN A 32 -11.496 -28.267 -22.595 1.00 21.00 O ATOM 508 CB ASN A 32 -13.969 -27.004 -21.907 1.00 4.00 C ATOM 509 CG ASN A 32 -13.874 -28.169 -20.931 1.00 64.00 C ATOM 510 OD1 ASN A 32 -13.101 -28.133 -19.974 1.00 51.00 O ATOM 511 ND2 ASN A 32 -14.656 -29.193 -21.155 1.00 62.00 N ATOM 0 H ASN A 32 -12.834 -25.155 -23.855 1.00 2.00 H new ATOM 0 HA ASN A 32 -12.301 -25.941 -21.058 1.00 61.00 H new ATOM 0 HB2 ASN A 32 -14.757 -26.327 -21.576 1.00 4.00 H new ATOM 0 HB3 ASN A 32 -14.266 -27.384 -22.885 1.00 4.00 H new ATOM 0 HD21 ASN A 32 -14.637 -29.996 -20.526 1.00 62.00 H new ATOM 0 HD22 ASN A 32 -15.284 -29.189 -21.958 1.00 62.00 H new ATOM 518 N GLN A 33 -10.723 -26.376 -23.491 1.00 43.00 N ATOM 519 CA GLN A 33 -9.665 -27.005 -24.207 1.00 72.00 C ATOM 520 C GLN A 33 -8.655 -25.954 -24.467 1.00 0.00 C ATOM 521 O GLN A 33 -8.998 -24.746 -24.531 1.00 1.00 O ATOM 522 CB GLN A 33 -10.148 -27.624 -25.527 1.00 41.00 C ATOM 523 CG GLN A 33 -10.575 -26.611 -26.558 1.00 70.00 C ATOM 524 CD GLN A 33 -11.096 -27.250 -27.827 1.00 24.00 C ATOM 525 OE1 GLN A 33 -12.285 -27.528 -27.954 1.00 3.00 O ATOM 526 NE2 GLN A 33 -10.222 -27.484 -28.773 1.00 15.00 N ATOM 0 H GLN A 33 -10.757 -25.363 -23.609 1.00 43.00 H new ATOM 0 HA GLN A 33 -9.253 -27.827 -23.622 1.00 72.00 H new ATOM 0 HB2 GLN A 33 -9.348 -28.236 -25.944 1.00 41.00 H new ATOM 0 HB3 GLN A 33 -10.985 -28.291 -25.319 1.00 41.00 H new ATOM 0 HG2 GLN A 33 -11.350 -25.972 -26.134 1.00 70.00 H new ATOM 0 HG3 GLN A 33 -9.729 -25.968 -26.801 1.00 70.00 H new ATOM 0 HE21 GLN A 33 -9.242 -27.240 -28.633 1.00 15.00 H new ATOM 0 HE22 GLN A 33 -10.521 -27.910 -29.650 1.00 15.00 H new ATOM 535 N LEU A 34 -7.460 -26.360 -24.594 1.00 21.00 N ATOM 536 CA LEU A 34 -6.397 -25.463 -24.825 1.00 11.00 C ATOM 537 C LEU A 34 -5.970 -25.579 -26.268 1.00 3.00 C ATOM 538 O LEU A 34 -6.023 -26.674 -26.855 1.00 41.00 O ATOM 539 CB LEU A 34 -5.207 -25.789 -23.918 1.00 45.00 C ATOM 540 CG LEU A 34 -5.394 -25.650 -22.403 1.00 34.00 C ATOM 541 CD1 LEU A 34 -4.148 -26.117 -21.678 1.00 14.00 C ATOM 542 CD2 LEU A 34 -5.705 -24.222 -22.019 1.00 12.00 C ATOM 0 H LEU A 34 -7.182 -27.340 -24.541 1.00 21.00 H new ATOM 0 HA LEU A 34 -6.732 -24.449 -24.606 1.00 11.00 H new ATOM 0 HB2 LEU A 34 -4.903 -26.815 -24.124 1.00 45.00 H new ATOM 0 HB3 LEU A 34 -4.378 -25.146 -24.212 1.00 45.00 H new ATOM 0 HG LEU A 34 -6.238 -26.274 -22.111 1.00 34.00 H new ATOM 0 HD11 LEU A 34 -4.293 -26.014 -20.603 1.00 14.00 H new ATOM 0 HD12 LEU A 34 -3.957 -27.163 -21.920 1.00 14.00 H new ATOM 0 HD13 LEU A 34 -3.297 -25.511 -21.990 1.00 14.00 H new ATOM 0 HD21 LEU A 34 -5.832 -24.155 -20.939 1.00 12.00 H new ATOM 0 HD22 LEU A 34 -4.884 -23.575 -22.328 1.00 12.00 H new ATOM 0 HD23 LEU A 34 -6.623 -23.904 -22.513 1.00 12.00 H new ATOM 554 N LEU A 35 -5.612 -24.485 -26.855 1.00 45.00 N ATOM 555 CA LEU A 35 -5.062 -24.503 -28.202 1.00 24.00 C ATOM 556 C LEU A 35 -3.822 -23.638 -28.247 1.00 12.00 C ATOM 557 O LEU A 35 -3.714 -22.663 -27.479 1.00 10.00 O ATOM 558 CB LEU A 35 -6.099 -24.122 -29.302 1.00 34.00 C ATOM 559 CG LEU A 35 -6.553 -22.655 -29.460 1.00 75.00 C ATOM 560 CD1 LEU A 35 -7.566 -22.574 -30.567 1.00 61.00 C ATOM 561 CD2 LEU A 35 -7.127 -22.073 -28.179 1.00 62.00 C ATOM 0 H LEU A 35 -5.684 -23.558 -26.436 1.00 45.00 H new ATOM 0 HA LEU A 35 -4.785 -25.530 -28.438 1.00 24.00 H new ATOM 0 HB2 LEU A 35 -5.686 -24.439 -30.260 1.00 34.00 H new ATOM 0 HB3 LEU A 35 -6.993 -24.721 -29.126 1.00 34.00 H new ATOM 0 HG LEU A 35 -5.673 -22.059 -29.702 1.00 75.00 H new ATOM 0 HD11 LEU A 35 -7.893 -21.541 -30.686 1.00 61.00 H new ATOM 0 HD12 LEU A 35 -7.117 -22.922 -31.497 1.00 61.00 H new ATOM 0 HD13 LEU A 35 -8.424 -23.200 -30.322 1.00 61.00 H new ATOM 0 HD21 LEU A 35 -7.429 -21.040 -28.352 1.00 62.00 H new ATOM 0 HD22 LEU A 35 -7.994 -22.657 -27.870 1.00 62.00 H new ATOM 0 HD23 LEU A 35 -6.371 -22.104 -27.395 1.00 62.00 H new ATOM 573 N HIS A 36 -2.880 -23.985 -29.098 1.00 70.00 N ATOM 574 CA HIS A 36 -1.627 -23.294 -29.125 1.00 62.00 C ATOM 575 C HIS A 36 -1.398 -22.503 -30.394 1.00 2.00 C ATOM 576 O HIS A 36 -1.583 -22.984 -31.515 1.00 74.00 O ATOM 577 CB HIS A 36 -0.433 -24.209 -28.771 1.00 33.00 C ATOM 578 CG HIS A 36 -0.154 -25.370 -29.702 1.00 62.00 C ATOM 579 ND1 HIS A 36 -0.550 -26.652 -29.394 1.00 53.00 N ATOM 580 CD2 HIS A 36 0.529 -25.390 -30.873 1.00 43.00 C ATOM 581 CE1 HIS A 36 -0.095 -27.413 -30.389 1.00 31.00 C ATOM 582 NE2 HIS A 36 0.558 -26.691 -31.296 1.00 32.00 N ATOM 0 H HIS A 36 -2.966 -24.742 -29.776 1.00 70.00 H new ATOM 0 HA HIS A 36 -1.692 -22.551 -28.330 1.00 62.00 H new ATOM 0 HB2 HIS A 36 0.464 -23.591 -28.722 1.00 33.00 H new ATOM 0 HB3 HIS A 36 -0.599 -24.610 -27.771 1.00 33.00 H new ATOM 0 HD2 HIS A 36 0.967 -24.541 -31.376 1.00 43.00 H new ATOM 0 HE1 HIS A 36 -0.238 -28.482 -30.451 1.00 31.00 H new ATOM 0 HE2 HIS A 36 0.998 -27.042 -32.147 1.00 32.00 H new ATOM 590 N LEU A 37 -0.990 -21.294 -30.193 1.00 42.00 N ATOM 591 CA LEU A 37 -0.742 -20.355 -31.249 1.00 50.00 C ATOM 592 C LEU A 37 0.615 -19.834 -31.074 1.00 70.00 C ATOM 593 O LEU A 37 1.116 -19.743 -29.952 1.00 44.00 O ATOM 594 CB LEU A 37 -1.747 -19.191 -31.260 1.00 0.00 C ATOM 595 CG LEU A 37 -3.245 -19.588 -31.351 1.00 63.00 C ATOM 596 CD1 LEU A 37 -3.801 -20.072 -30.021 1.00 73.00 C ATOM 597 CD2 LEU A 37 -4.096 -18.490 -31.934 1.00 51.00 C ATOM 0 H LEU A 37 -0.813 -20.916 -29.262 1.00 42.00 H new ATOM 0 HA LEU A 37 -0.855 -20.870 -32.203 1.00 50.00 H new ATOM 0 HB2 LEU A 37 -1.602 -18.603 -30.354 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.512 -18.541 -32.103 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.289 -20.430 -32.042 1.00 63.00 H new ATOM 0 HD11 LEU A 37 -4.852 -20.337 -30.141 1.00 73.00 H new ATOM 0 HD12 LEU A 37 -3.242 -20.947 -29.690 1.00 73.00 H new ATOM 0 HD13 LEU A 37 -3.709 -19.280 -29.278 1.00 73.00 H new ATOM 0 HD21 LEU A 37 -5.135 -18.818 -31.976 1.00 51.00 H new ATOM 0 HD22 LEU A 37 -4.021 -17.601 -31.308 1.00 51.00 H new ATOM 0 HD23 LEU A 37 -3.749 -18.256 -32.940 1.00 51.00 H new ATOM 609 N LYS A 38 1.210 -19.499 -32.132 1.00 12.00 N ATOM 610 CA LYS A 38 2.540 -19.072 -32.102 1.00 44.00 C ATOM 611 C LYS A 38 2.626 -17.639 -32.459 1.00 42.00 C ATOM 612 O LYS A 38 1.784 -17.125 -33.190 1.00 53.00 O ATOM 613 CB LYS A 38 3.330 -19.887 -33.058 1.00 23.00 C ATOM 614 CG LYS A 38 2.895 -19.762 -34.486 1.00 24.00 C ATOM 615 CD LYS A 38 3.833 -20.502 -35.349 1.00 2.00 C ATOM 616 CE LYS A 38 3.445 -20.393 -36.800 1.00 0.00 C ATOM 617 NZ LYS A 38 4.351 -21.167 -37.658 1.00 30.00 N ATOM 0 H LYS A 38 0.786 -19.512 -33.060 1.00 12.00 H new ATOM 0 HA LYS A 38 2.941 -19.198 -31.096 1.00 44.00 H new ATOM 0 HB2 LYS A 38 4.378 -19.597 -32.984 1.00 23.00 H new ATOM 0 HB3 LYS A 38 3.267 -20.934 -32.762 1.00 23.00 H new ATOM 0 HG2 LYS A 38 1.885 -20.155 -34.606 1.00 24.00 H new ATOM 0 HG3 LYS A 38 2.865 -18.712 -34.778 1.00 24.00 H new ATOM 0 HD2 LYS A 38 4.842 -20.113 -35.210 1.00 2.00 H new ATOM 0 HD3 LYS A 38 3.852 -21.551 -35.053 1.00 2.00 H new ATOM 0 HE2 LYS A 38 2.423 -20.749 -36.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.459 -19.346 -37.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.056 -21.071 -38.651 1.00 30.00 H new ATOM 0 HZ2 LYS A 38 5.322 -20.810 -37.549 1.00 30.00 H new ATOM 0 HZ3 LYS A 38 4.318 -22.169 -37.383 1.00 30.00 H new ATOM 631 N GLN A 39 3.625 -17.013 -31.979 1.00 13.00 N ATOM 632 CA GLN A 39 3.814 -15.632 -32.221 1.00 23.00 C ATOM 633 C GLN A 39 4.516 -15.439 -33.514 1.00 51.00 C ATOM 634 O GLN A 39 5.619 -15.949 -33.732 1.00 50.00 O ATOM 635 CB GLN A 39 4.594 -14.971 -31.107 1.00 33.00 C ATOM 636 CG GLN A 39 4.848 -13.485 -31.311 1.00 23.00 C ATOM 637 CD GLN A 39 5.901 -12.947 -30.370 1.00 53.00 C ATOM 638 OE1 GLN A 39 7.089 -12.929 -30.699 1.00 30.00 O ATOM 639 NE2 GLN A 39 5.500 -12.533 -29.201 1.00 34.00 N ATOM 0 H GLN A 39 4.346 -17.444 -31.400 1.00 13.00 H new ATOM 0 HA GLN A 39 2.831 -15.162 -32.263 1.00 23.00 H new ATOM 0 HB2 GLN A 39 4.054 -15.109 -30.170 1.00 33.00 H new ATOM 0 HB3 GLN A 39 5.552 -15.479 -31.000 1.00 33.00 H new ATOM 0 HG2 GLN A 39 5.161 -13.310 -32.340 1.00 23.00 H new ATOM 0 HG3 GLN A 39 3.918 -12.936 -31.163 1.00 23.00 H new ATOM 0 HE21 GLN A 39 4.509 -12.562 -28.962 1.00 34.00 H new ATOM 0 HE22 GLN A 39 6.177 -12.180 -28.525 1.00 34.00 H new ATOM 648 N GLY A 40 3.844 -14.779 -34.352 1.00 73.00 N ATOM 649 CA GLY A 40 4.365 -14.317 -35.567 1.00 10.00 C ATOM 650 C GLY A 40 4.242 -12.848 -35.471 1.00 5.00 C ATOM 651 O GLY A 40 3.135 -12.352 -35.182 1.00 14.00 O ATOM 0 H GLY A 40 2.865 -14.531 -34.208 1.00 73.00 H new ATOM 0 HA2 GLY A 40 5.403 -14.623 -35.699 1.00 10.00 H new ATOM 0 HA3 GLY A 40 3.806 -14.710 -36.416 1.00 10.00 H new ATOM 655 N ILE A 41 5.321 -12.138 -35.613 1.00 61.00 N ATOM 656 CA ILE A 41 5.297 -10.754 -35.393 1.00 61.00 C ATOM 657 C ILE A 41 4.400 -10.044 -36.398 1.00 64.00 C ATOM 658 O ILE A 41 4.546 -10.193 -37.614 1.00 74.00 O ATOM 659 CB ILE A 41 6.716 -10.135 -35.325 1.00 54.00 C ATOM 660 CG1 ILE A 41 6.617 -8.679 -34.944 1.00 12.00 C ATOM 661 CG2 ILE A 41 7.488 -10.304 -36.635 1.00 74.00 C ATOM 662 CD1 ILE A 41 6.046 -8.445 -33.555 1.00 31.00 C ATOM 0 H ILE A 41 6.229 -12.515 -35.884 1.00 61.00 H new ATOM 0 HA ILE A 41 4.859 -10.599 -34.407 1.00 61.00 H new ATOM 0 HB ILE A 41 7.278 -10.672 -34.561 1.00 54.00 H new ATOM 0 HG12 ILE A 41 7.609 -8.231 -34.999 1.00 12.00 H new ATOM 0 HG13 ILE A 41 5.993 -8.164 -35.674 1.00 12.00 H new ATOM 0 HG21 ILE A 41 8.476 -9.854 -36.536 1.00 74.00 H new ATOM 0 HG22 ILE A 41 7.594 -11.365 -36.861 1.00 74.00 H new ATOM 0 HG23 ILE A 41 6.945 -9.814 -37.443 1.00 74.00 H new ATOM 0 HD11 ILE A 41 6.006 -7.375 -33.354 1.00 31.00 H new ATOM 0 HD12 ILE A 41 5.041 -8.862 -33.500 1.00 31.00 H new ATOM 0 HD13 ILE A 41 6.681 -8.930 -32.814 1.00 31.00 H new ATOM 674 N SER A 42 3.434 -9.359 -35.866 1.00 33.00 N ATOM 675 CA SER A 42 2.509 -8.601 -36.613 1.00 22.00 C ATOM 676 C SER A 42 3.158 -7.275 -36.981 1.00 30.00 C ATOM 677 O SER A 42 3.536 -7.044 -38.130 1.00 0.00 O ATOM 678 CB SER A 42 1.296 -8.406 -35.710 1.00 33.00 C ATOM 679 OG SER A 42 1.733 -8.107 -34.374 1.00 34.00 O ATOM 0 H SER A 42 3.272 -9.319 -34.860 1.00 33.00 H new ATOM 0 HA SER A 42 2.207 -9.088 -37.540 1.00 22.00 H new ATOM 0 HB2 SER A 42 0.674 -7.596 -36.090 1.00 33.00 H new ATOM 0 HB3 SER A 42 0.682 -9.306 -35.710 1.00 33.00 H new ATOM 0 HG SER A 42 1.352 -7.250 -34.089 1.00 34.00 H new ATOM 685 N ALA A 43 3.344 -6.482 -35.957 1.00 43.00 N ATOM 686 CA ALA A 43 3.972 -5.182 -35.971 1.00 32.00 C ATOM 687 C ALA A 43 3.738 -4.584 -34.611 1.00 74.00 C ATOM 688 O ALA A 43 4.617 -4.599 -33.757 1.00 12.00 O ATOM 689 CB ALA A 43 3.431 -4.265 -37.070 1.00 11.00 C ATOM 0 H ALA A 43 3.038 -6.747 -35.021 1.00 43.00 H new ATOM 0 HA ALA A 43 5.034 -5.291 -36.191 1.00 32.00 H new ATOM 0 HB1 ALA A 43 3.943 -3.304 -37.027 1.00 11.00 H new ATOM 0 HB2 ALA A 43 3.602 -4.724 -38.044 1.00 11.00 H new ATOM 0 HB3 ALA A 43 2.362 -4.113 -36.923 1.00 11.00 H new ATOM 695 N SER A 44 2.536 -4.125 -34.398 1.00 50.00 N ATOM 696 CA SER A 44 2.130 -3.656 -33.122 1.00 20.00 C ATOM 697 C SER A 44 1.608 -4.869 -32.363 1.00 61.00 C ATOM 698 O SER A 44 0.904 -5.724 -32.954 1.00 32.00 O ATOM 699 CB SER A 44 1.036 -2.583 -33.277 1.00 61.00 C ATOM 700 OG SER A 44 0.691 -1.990 -32.033 1.00 30.00 O ATOM 0 H SER A 44 1.813 -4.070 -35.116 1.00 50.00 H new ATOM 0 HA SER A 44 2.956 -3.193 -32.582 1.00 20.00 H new ATOM 0 HB2 SER A 44 1.381 -1.810 -33.964 1.00 61.00 H new ATOM 0 HB3 SER A 44 0.149 -3.032 -33.723 1.00 61.00 H new ATOM 0 HG SER A 44 -0.004 -1.314 -32.174 1.00 30.00 H new ATOM 706 N GLY A 45 1.992 -4.993 -31.124 1.00 64.00 N ATOM 707 CA GLY A 45 1.563 -6.103 -30.328 1.00 51.00 C ATOM 708 C GLY A 45 2.319 -7.353 -30.664 1.00 61.00 C ATOM 709 O GLY A 45 3.478 -7.302 -31.090 1.00 62.00 O ATOM 0 H GLY A 45 2.605 -4.334 -30.643 1.00 64.00 H new ATOM 0 HA2 GLY A 45 1.700 -5.868 -29.272 1.00 51.00 H new ATOM 0 HA3 GLY A 45 0.497 -6.270 -30.482 1.00 51.00 H new ATOM 713 N ALA A 46 1.662 -8.455 -30.527 1.00 71.00 N ATOM 714 CA ALA A 46 2.216 -9.707 -30.773 1.00 20.00 C ATOM 715 C ALA A 46 1.097 -10.530 -31.220 1.00 3.00 C ATOM 716 O ALA A 46 0.027 -10.526 -30.595 1.00 42.00 O ATOM 717 CB ALA A 46 2.860 -10.266 -29.527 1.00 55.00 C ATOM 0 H ALA A 46 0.687 -8.490 -30.228 1.00 71.00 H new ATOM 0 HA ALA A 46 3.009 -9.670 -31.520 1.00 20.00 H new ATOM 0 HB1 ALA A 46 3.286 -11.245 -29.745 1.00 55.00 H new ATOM 0 HB2 ALA A 46 3.650 -9.593 -29.193 1.00 55.00 H new ATOM 0 HB3 ALA A 46 2.110 -10.363 -28.742 1.00 55.00 H new ATOM 723 N ARG A 47 1.269 -11.185 -32.286 1.00 32.00 N ATOM 724 CA ARG A 47 0.195 -11.858 -32.833 1.00 11.00 C ATOM 725 C ARG A 47 0.455 -13.354 -32.821 1.00 53.00 C ATOM 726 O ARG A 47 1.286 -13.860 -33.560 1.00 22.00 O ATOM 727 CB ARG A 47 -0.096 -11.300 -34.221 1.00 3.00 C ATOM 728 CG ARG A 47 -1.226 -11.973 -34.970 1.00 43.00 C ATOM 729 CD ARG A 47 -1.516 -11.223 -36.246 1.00 55.00 C ATOM 730 NE ARG A 47 -2.460 -11.924 -37.116 1.00 64.00 N ATOM 731 CZ ARG A 47 -3.395 -11.333 -37.873 1.00 54.00 C ATOM 732 NH1 ARG A 47 -3.675 -10.030 -37.711 1.00 20.00 N ATOM 733 NH2 ARG A 47 -4.057 -12.052 -38.777 1.00 30.00 N ATOM 0 H ARG A 47 2.149 -11.266 -32.795 1.00 32.00 H new ATOM 0 HA ARG A 47 -0.702 -11.702 -32.234 1.00 11.00 H new ATOM 0 HB2 ARG A 47 -0.328 -10.239 -34.126 1.00 3.00 H new ATOM 0 HB3 ARG A 47 0.811 -11.376 -34.821 1.00 3.00 H new ATOM 0 HG2 ARG A 47 -0.959 -13.005 -35.197 1.00 43.00 H new ATOM 0 HG3 ARG A 47 -2.119 -12.005 -34.346 1.00 43.00 H new ATOM 0 HD2 ARG A 47 -1.917 -10.240 -36.000 1.00 55.00 H new ATOM 0 HD3 ARG A 47 -0.583 -11.061 -36.786 1.00 55.00 H new ATOM 0 HE ARG A 47 -2.402 -12.942 -37.149 1.00 64.00 H new ATOM 0 HH11 ARG A 47 -3.175 -9.484 -37.009 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -4.388 -9.586 -38.290 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -3.851 -13.045 -38.889 1.00 30.00 H new ATOM 0 HH22 ARG A 47 -4.770 -11.610 -39.357 1.00 30.00 H new ATOM 747 N TYR A 48 -0.212 -14.023 -31.937 1.00 55.00 N ATOM 748 CA TYR A 48 -0.118 -15.414 -31.770 1.00 71.00 C ATOM 749 C TYR A 48 -1.218 -15.982 -32.577 1.00 73.00 C ATOM 750 O TYR A 48 -2.389 -15.755 -32.312 1.00 44.00 O ATOM 751 CB TYR A 48 -0.272 -15.773 -30.299 1.00 63.00 C ATOM 752 CG TYR A 48 0.608 -14.948 -29.377 1.00 72.00 C ATOM 753 CD1 TYR A 48 0.154 -13.745 -28.843 1.00 43.00 C ATOM 754 CD2 TYR A 48 1.888 -15.358 -29.055 1.00 42.00 C ATOM 755 CE1 TYR A 48 0.951 -12.983 -28.021 1.00 51.00 C ATOM 756 CE2 TYR A 48 2.693 -14.598 -28.224 1.00 40.00 C ATOM 757 CZ TYR A 48 2.219 -13.412 -27.717 1.00 64.00 C ATOM 758 OH TYR A 48 3.020 -12.647 -26.906 1.00 32.00 O ATOM 0 H TYR A 48 -0.864 -13.582 -31.288 1.00 55.00 H new ATOM 0 HA TYR A 48 0.848 -15.806 -32.089 1.00 71.00 H new ATOM 0 HB2 TYR A 48 -1.314 -15.640 -30.008 1.00 63.00 H new ATOM 0 HB3 TYR A 48 -0.036 -16.829 -30.165 1.00 63.00 H new ATOM 0 HD1 TYR A 48 -0.843 -13.404 -29.079 1.00 43.00 H new ATOM 0 HD2 TYR A 48 2.266 -16.286 -29.458 1.00 42.00 H new ATOM 0 HE1 TYR A 48 0.581 -12.052 -27.617 1.00 51.00 H new ATOM 0 HE2 TYR A 48 3.688 -14.935 -27.975 1.00 40.00 H new ATOM 0 HH TYR A 48 3.885 -13.091 -26.788 1.00 32.00 H new ATOM 768 N THR A 49 -0.867 -16.638 -33.593 1.00 62.00 N ATOM 769 CA THR A 49 -1.795 -17.145 -34.506 1.00 2.00 C ATOM 770 C THR A 49 -1.183 -18.341 -35.143 1.00 61.00 C ATOM 771 O THR A 49 -0.005 -18.316 -35.512 1.00 63.00 O ATOM 772 CB THR A 49 -2.164 -16.095 -35.591 1.00 53.00 C ATOM 773 OG1 THR A 49 -2.722 -14.924 -34.968 1.00 40.00 O ATOM 774 CG2 THR A 49 -3.160 -16.657 -36.604 1.00 12.00 C ATOM 0 H THR A 49 0.104 -16.847 -33.825 1.00 62.00 H new ATOM 0 HA THR A 49 -2.717 -17.403 -33.986 1.00 2.00 H new ATOM 0 HB THR A 49 -1.250 -15.833 -36.124 1.00 53.00 H new ATOM 0 HG1 THR A 49 -2.685 -14.171 -35.594 1.00 40.00 H new ATOM 0 HG21 THR A 49 -3.394 -15.894 -37.346 1.00 12.00 H new ATOM 0 HG22 THR A 49 -2.724 -17.524 -37.100 1.00 12.00 H new ATOM 0 HG23 THR A 49 -4.074 -16.954 -36.089 1.00 12.00 H new ATOM 782 N ASP A 50 -1.905 -19.401 -35.188 1.00 52.00 N ATOM 783 CA ASP A 50 -1.411 -20.547 -35.868 1.00 34.00 C ATOM 784 C ASP A 50 -2.078 -20.622 -37.213 1.00 33.00 C ATOM 785 O ASP A 50 -1.506 -20.264 -38.230 1.00 52.00 O ATOM 786 CB ASP A 50 -1.646 -21.832 -35.077 1.00 1.00 C ATOM 787 CG ASP A 50 -1.130 -23.054 -35.809 1.00 43.00 C ATOM 788 OD1 ASP A 50 0.061 -23.402 -35.653 1.00 21.00 O ATOM 789 OD2 ASP A 50 -1.895 -23.675 -36.553 1.00 72.00 O ATOM 0 H ASP A 50 -2.829 -19.502 -34.768 1.00 52.00 H new ATOM 0 HA ASP A 50 -0.332 -20.450 -35.984 1.00 34.00 H new ATOM 0 HB2 ASP A 50 -1.153 -21.756 -34.108 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -2.712 -21.949 -34.884 1.00 1.00 H new ATOM 794 N GLY A 51 -3.301 -21.040 -37.175 1.00 11.00 N ATOM 795 CA GLY A 51 -4.127 -21.133 -38.321 1.00 52.00 C ATOM 796 C GLY A 51 -5.441 -21.665 -37.886 1.00 33.00 C ATOM 797 O GLY A 51 -5.989 -22.589 -38.477 1.00 43.00 O ATOM 0 H GLY A 51 -3.762 -21.334 -36.314 1.00 11.00 H new ATOM 0 HA2 GLY A 51 -4.246 -20.155 -38.788 1.00 52.00 H new ATOM 0 HA3 GLY A 51 -3.676 -21.789 -39.066 1.00 52.00 H new ATOM 801 N ILE A 52 -5.903 -21.130 -36.775 1.00 33.00 N ATOM 802 CA ILE A 52 -7.159 -21.514 -36.190 1.00 50.00 C ATOM 803 C ILE A 52 -7.942 -20.231 -35.974 1.00 41.00 C ATOM 804 O ILE A 52 -8.928 -19.967 -36.651 1.00 62.00 O ATOM 805 CB ILE A 52 -6.952 -22.250 -34.822 1.00 61.00 C ATOM 806 CG1 ILE A 52 -5.879 -23.345 -34.970 1.00 23.00 C ATOM 807 CG2 ILE A 52 -8.266 -22.888 -34.386 1.00 73.00 C ATOM 808 CD1 ILE A 52 -5.437 -23.953 -33.662 1.00 5.00 C ATOM 0 H ILE A 52 -5.407 -20.409 -36.251 1.00 33.00 H new ATOM 0 HA ILE A 52 -7.687 -22.206 -36.846 1.00 50.00 H new ATOM 0 HB ILE A 52 -6.626 -21.527 -34.074 1.00 61.00 H new ATOM 0 HG12 ILE A 52 -6.267 -24.135 -35.613 1.00 23.00 H new ATOM 0 HG13 ILE A 52 -5.010 -22.922 -35.474 1.00 23.00 H new ATOM 0 HG21 ILE A 52 -8.124 -23.400 -33.435 1.00 73.00 H new ATOM 0 HG22 ILE A 52 -9.026 -22.115 -34.272 1.00 73.00 H new ATOM 0 HG23 ILE A 52 -8.590 -23.606 -35.140 1.00 73.00 H new ATOM 0 HD11 ILE A 52 -4.681 -24.715 -33.852 1.00 5.00 H new ATOM 0 HD12 ILE A 52 -5.017 -23.176 -33.023 1.00 5.00 H new ATOM 0 HD13 ILE A 52 -6.293 -24.408 -33.164 1.00 5.00 H new ATOM 820 N TYR A 53 -7.451 -19.419 -35.051 1.00 30.00 N ATOM 821 CA TYR A 53 -7.986 -18.096 -34.760 1.00 73.00 C ATOM 822 C TYR A 53 -6.802 -17.202 -34.674 1.00 63.00 C ATOM 823 O TYR A 53 -5.659 -17.681 -34.773 1.00 25.00 O ATOM 824 CB TYR A 53 -8.723 -18.056 -33.414 1.00 44.00 C ATOM 825 CG TYR A 53 -9.685 -19.206 -33.219 1.00 41.00 C ATOM 826 CD1 TYR A 53 -10.676 -19.480 -34.149 1.00 25.00 C ATOM 827 CD2 TYR A 53 -9.553 -20.059 -32.145 1.00 23.00 C ATOM 828 CE1 TYR A 53 -11.505 -20.561 -34.006 1.00 63.00 C ATOM 829 CE2 TYR A 53 -10.377 -21.154 -32.002 1.00 2.00 C ATOM 830 CZ TYR A 53 -11.352 -21.396 -32.935 1.00 53.00 C ATOM 831 OH TYR A 53 -12.160 -22.502 -32.812 1.00 51.00 O ATOM 0 H TYR A 53 -6.651 -19.666 -34.469 1.00 30.00 H new ATOM 0 HA TYR A 53 -8.701 -17.802 -35.528 1.00 73.00 H new ATOM 0 HB2 TYR A 53 -7.990 -18.065 -32.607 1.00 44.00 H new ATOM 0 HB3 TYR A 53 -9.271 -17.117 -33.337 1.00 44.00 H new ATOM 0 HD1 TYR A 53 -10.797 -18.829 -35.002 1.00 25.00 H new ATOM 0 HD2 TYR A 53 -8.792 -19.866 -31.404 1.00 23.00 H new ATOM 0 HE1 TYR A 53 -12.277 -20.753 -34.737 1.00 63.00 H new ATOM 0 HE2 TYR A 53 -10.255 -21.818 -31.159 1.00 2.00 H new ATOM 0 HH TYR A 53 -12.630 -22.470 -31.953 1.00 51.00 H new ATOM 841 N VAL A 54 -7.041 -15.964 -34.478 1.00 33.00 N ATOM 842 CA VAL A 54 -6.013 -14.972 -34.423 1.00 40.00 C ATOM 843 C VAL A 54 -6.009 -14.333 -33.045 1.00 42.00 C ATOM 844 O VAL A 54 -6.975 -13.673 -32.672 1.00 42.00 O ATOM 845 CB VAL A 54 -6.321 -13.899 -35.479 1.00 44.00 C ATOM 846 CG1 VAL A 54 -5.415 -12.680 -35.336 1.00 40.00 C ATOM 847 CG2 VAL A 54 -6.210 -14.476 -36.887 1.00 74.00 C ATOM 0 H VAL A 54 -7.981 -15.590 -34.346 1.00 33.00 H new ATOM 0 HA VAL A 54 -5.040 -15.423 -34.616 1.00 40.00 H new ATOM 0 HB VAL A 54 -7.347 -13.571 -35.311 1.00 44.00 H new ATOM 0 HG11 VAL A 54 -5.667 -11.947 -36.102 1.00 40.00 H new ATOM 0 HG12 VAL A 54 -5.554 -12.237 -34.350 1.00 40.00 H new ATOM 0 HG13 VAL A 54 -4.375 -12.984 -35.453 1.00 40.00 H new ATOM 0 HG21 VAL A 54 -6.432 -13.698 -37.618 1.00 74.00 H new ATOM 0 HG22 VAL A 54 -5.198 -14.848 -37.049 1.00 74.00 H new ATOM 0 HG23 VAL A 54 -6.920 -15.295 -37.002 1.00 74.00 H new ATOM 857 N PHE A 55 -4.968 -14.563 -32.285 1.00 64.00 N ATOM 858 CA PHE A 55 -4.832 -13.948 -30.986 1.00 43.00 C ATOM 859 C PHE A 55 -3.862 -12.796 -31.090 1.00 74.00 C ATOM 860 O PHE A 55 -2.644 -12.982 -31.176 1.00 20.00 O ATOM 861 CB PHE A 55 -4.394 -14.970 -29.916 1.00 34.00 C ATOM 862 CG PHE A 55 -4.108 -14.390 -28.539 1.00 21.00 C ATOM 863 CD1 PHE A 55 -4.959 -13.464 -27.955 1.00 52.00 C ATOM 864 CD2 PHE A 55 -2.993 -14.800 -27.826 1.00 3.00 C ATOM 865 CE1 PHE A 55 -4.700 -12.959 -26.700 1.00 53.00 C ATOM 866 CE2 PHE A 55 -2.727 -14.296 -26.570 1.00 23.00 C ATOM 867 CZ PHE A 55 -3.582 -13.373 -26.006 1.00 20.00 C ATOM 0 H PHE A 55 -4.196 -15.177 -32.545 1.00 64.00 H new ATOM 0 HA PHE A 55 -5.802 -13.569 -30.665 1.00 43.00 H new ATOM 0 HB2 PHE A 55 -5.174 -15.726 -29.819 1.00 34.00 H new ATOM 0 HB3 PHE A 55 -3.498 -15.480 -30.270 1.00 34.00 H new ATOM 0 HD1 PHE A 55 -5.837 -13.134 -28.491 1.00 52.00 H new ATOM 0 HD2 PHE A 55 -2.322 -15.526 -28.261 1.00 3.00 H new ATOM 0 HE1 PHE A 55 -5.373 -12.238 -26.259 1.00 53.00 H new ATOM 0 HE2 PHE A 55 -1.851 -14.624 -26.030 1.00 23.00 H new ATOM 0 HZ PHE A 55 -3.377 -12.975 -25.023 1.00 20.00 H new ATOM 877 N TRP A 56 -4.389 -11.627 -31.112 1.00 31.00 N ATOM 878 CA TRP A 56 -3.610 -10.479 -31.253 1.00 63.00 C ATOM 879 C TRP A 56 -3.603 -9.772 -29.943 1.00 44.00 C ATOM 880 O TRP A 56 -4.647 -9.367 -29.403 1.00 74.00 O ATOM 881 CB TRP A 56 -4.134 -9.588 -32.375 1.00 1.00 C ATOM 882 CG TRP A 56 -3.238 -8.426 -32.738 1.00 3.00 C ATOM 883 CD1 TRP A 56 -1.950 -8.213 -32.334 1.00 53.00 C ATOM 884 CD2 TRP A 56 -3.564 -7.335 -33.607 1.00 43.00 C ATOM 885 NE1 TRP A 56 -1.474 -7.053 -32.863 1.00 0.00 N ATOM 886 CE2 TRP A 56 -2.437 -6.495 -33.658 1.00 72.00 C ATOM 887 CE3 TRP A 56 -4.700 -6.983 -34.342 1.00 20.00 C ATOM 888 CZ2 TRP A 56 -2.411 -5.325 -34.412 1.00 11.00 C ATOM 889 CZ3 TRP A 56 -4.672 -5.824 -35.092 1.00 30.00 C ATOM 890 CH2 TRP A 56 -3.535 -5.008 -35.123 1.00 14.00 C ATOM 0 H TRP A 56 -5.390 -11.451 -31.030 1.00 31.00 H new ATOM 0 HA TRP A 56 -2.591 -10.747 -31.532 1.00 63.00 H new ATOM 0 HB2 TRP A 56 -4.288 -10.200 -33.263 1.00 1.00 H new ATOM 0 HB3 TRP A 56 -5.109 -9.198 -32.084 1.00 1.00 H new ATOM 0 HD1 TRP A 56 -1.390 -8.872 -31.687 1.00 53.00 H new ATOM 0 HE1 TRP A 56 -0.547 -6.662 -32.694 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.582 -7.606 -34.324 1.00 20.00 H new ATOM 0 HZ2 TRP A 56 -1.536 -4.692 -34.434 1.00 11.00 H new ATOM 0 HZ3 TRP A 56 -5.543 -5.542 -35.665 1.00 30.00 H new ATOM 0 HH2 TRP A 56 -3.546 -4.109 -35.721 1.00 14.00 H new ATOM 901 N SER A 57 -2.460 -9.670 -29.444 1.00 32.00 N ATOM 902 CA SER A 57 -2.201 -9.049 -28.211 1.00 53.00 C ATOM 903 C SER A 57 -1.690 -7.693 -28.565 1.00 12.00 C ATOM 904 O SER A 57 -0.641 -7.587 -29.167 1.00 50.00 O ATOM 905 CB SER A 57 -1.125 -9.851 -27.466 1.00 11.00 C ATOM 906 OG SER A 57 -0.948 -9.383 -26.142 1.00 42.00 O ATOM 0 H SER A 57 -1.623 -10.033 -29.899 1.00 32.00 H new ATOM 0 HA SER A 57 -3.079 -8.992 -27.567 1.00 53.00 H new ATOM 0 HB2 SER A 57 -1.405 -10.904 -27.446 1.00 11.00 H new ATOM 0 HB3 SER A 57 -0.181 -9.782 -28.006 1.00 11.00 H new ATOM 0 HG SER A 57 -0.257 -9.917 -25.696 1.00 42.00 H new ATOM 912 N LYS A 58 -2.448 -6.671 -28.292 1.00 41.00 N ATOM 913 CA LYS A 58 -2.027 -5.347 -28.666 1.00 54.00 C ATOM 914 C LYS A 58 -1.282 -4.684 -27.522 1.00 30.00 C ATOM 915 O LYS A 58 -0.448 -3.808 -27.736 1.00 51.00 O ATOM 916 CB LYS A 58 -3.230 -4.534 -29.141 1.00 43.00 C ATOM 917 CG LYS A 58 -3.877 -5.145 -30.390 1.00 72.00 C ATOM 918 CD LYS A 58 -5.208 -4.503 -30.756 1.00 31.00 C ATOM 919 CE LYS A 58 -5.087 -3.028 -31.097 1.00 51.00 C ATOM 920 NZ LYS A 58 -6.409 -2.452 -31.389 1.00 54.00 N ATOM 0 H LYS A 58 -3.350 -6.724 -27.818 1.00 41.00 H new ATOM 0 HA LYS A 58 -1.328 -5.405 -29.500 1.00 54.00 H new ATOM 0 HB2 LYS A 58 -3.968 -4.477 -28.341 1.00 43.00 H new ATOM 0 HB3 LYS A 58 -2.915 -3.513 -29.358 1.00 43.00 H new ATOM 0 HG2 LYS A 58 -3.191 -5.046 -31.231 1.00 72.00 H new ATOM 0 HG3 LYS A 58 -4.029 -6.212 -30.226 1.00 72.00 H new ATOM 0 HD2 LYS A 58 -5.637 -5.032 -31.607 1.00 31.00 H new ATOM 0 HD3 LYS A 58 -5.902 -4.621 -29.924 1.00 31.00 H new ATOM 0 HE2 LYS A 58 -4.628 -2.494 -30.265 1.00 51.00 H new ATOM 0 HE3 LYS A 58 -4.431 -2.901 -31.958 1.00 51.00 H new ATOM 0 HZ1 LYS A 58 -6.333 -1.416 -31.436 1.00 54.00 H new ATOM 0 HZ2 LYS A 58 -6.753 -2.816 -32.301 1.00 54.00 H new ATOM 0 HZ3 LYS A 58 -7.077 -2.717 -30.637 1.00 54.00 H new ATOM 934 N GLY A 59 -1.552 -5.139 -26.326 1.00 62.00 N ATOM 935 CA GLY A 59 -0.898 -4.609 -25.161 1.00 52.00 C ATOM 936 C GLY A 59 -1.892 -4.343 -24.081 1.00 32.00 C ATOM 937 O GLY A 59 -2.005 -5.098 -23.137 1.00 40.00 O ATOM 0 H GLY A 59 -2.225 -5.881 -26.134 1.00 62.00 H new ATOM 0 HA2 GLY A 59 -0.146 -5.314 -24.806 1.00 52.00 H new ATOM 0 HA3 GLY A 59 -0.375 -3.688 -25.417 1.00 52.00 H new ATOM 941 N ASP A 60 -2.674 -3.310 -24.264 1.00 3.00 N ATOM 942 CA ASP A 60 -3.687 -2.938 -23.292 1.00 2.00 C ATOM 943 C ASP A 60 -4.906 -3.760 -23.532 1.00 41.00 C ATOM 944 O ASP A 60 -5.683 -4.050 -22.610 1.00 62.00 O ATOM 945 CB ASP A 60 -4.061 -1.458 -23.397 1.00 1.00 C ATOM 946 CG ASP A 60 -2.954 -0.514 -23.006 1.00 42.00 C ATOM 947 OD1 ASP A 60 -2.802 -0.223 -21.800 1.00 32.00 O ATOM 948 OD2 ASP A 60 -2.234 -0.027 -23.893 1.00 21.00 O ATOM 0 H ASP A 60 -2.633 -2.703 -25.083 1.00 3.00 H new ATOM 0 HA ASP A 60 -3.282 -3.115 -22.295 1.00 2.00 H new ATOM 0 HB2 ASP A 60 -4.362 -1.242 -24.422 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -4.927 -1.267 -22.763 1.00 1.00 H new ATOM 953 N GLU A 61 -5.048 -4.175 -24.767 1.00 72.00 N ATOM 954 CA GLU A 61 -6.145 -4.934 -25.195 1.00 64.00 C ATOM 955 C GLU A 61 -5.652 -6.137 -25.934 1.00 3.00 C ATOM 956 O GLU A 61 -4.517 -6.147 -26.448 1.00 31.00 O ATOM 957 CB GLU A 61 -7.096 -4.110 -26.058 1.00 70.00 C ATOM 958 CG GLU A 61 -6.427 -3.381 -27.202 1.00 65.00 C ATOM 959 CD GLU A 61 -7.401 -2.580 -28.032 1.00 73.00 C ATOM 960 OE1 GLU A 61 -7.799 -1.481 -27.603 1.00 71.00 O ATOM 961 OE2 GLU A 61 -7.764 -3.019 -29.143 1.00 11.00 O ATOM 0 H GLU A 61 -4.372 -3.976 -25.505 1.00 72.00 H new ATOM 0 HA GLU A 61 -6.712 -5.255 -24.321 1.00 64.00 H new ATOM 0 HB2 GLU A 61 -7.864 -4.769 -26.463 1.00 70.00 H new ATOM 0 HB3 GLU A 61 -7.603 -3.381 -25.425 1.00 70.00 H new ATOM 0 HG2 GLU A 61 -5.661 -2.715 -26.805 1.00 65.00 H new ATOM 0 HG3 GLU A 61 -5.920 -4.104 -27.841 1.00 65.00 H new ATOM 968 N ALA A 62 -6.461 -7.127 -25.981 1.00 44.00 N ATOM 969 CA ALA A 62 -6.152 -8.329 -26.620 1.00 70.00 C ATOM 970 C ALA A 62 -7.442 -8.887 -27.147 1.00 12.00 C ATOM 971 O ALA A 62 -8.518 -8.608 -26.588 1.00 43.00 O ATOM 972 CB ALA A 62 -5.509 -9.300 -25.649 1.00 61.00 C ATOM 0 H ALA A 62 -7.389 -7.113 -25.557 1.00 44.00 H new ATOM 0 HA ALA A 62 -5.441 -8.165 -27.429 1.00 70.00 H new ATOM 0 HB1 ALA A 62 -5.276 -10.231 -26.166 1.00 61.00 H new ATOM 0 HB2 ALA A 62 -4.591 -8.865 -25.253 1.00 61.00 H new ATOM 0 HB3 ALA A 62 -6.197 -9.503 -24.829 1.00 61.00 H new ATOM 978 N THR A 63 -7.362 -9.592 -28.204 1.00 1.00 N ATOM 979 CA THR A 63 -8.519 -10.163 -28.812 1.00 53.00 C ATOM 980 C THR A 63 -8.135 -11.473 -29.542 1.00 43.00 C ATOM 981 O THR A 63 -6.966 -11.690 -29.881 1.00 2.00 O ATOM 982 CB THR A 63 -9.122 -9.125 -29.808 1.00 30.00 C ATOM 983 OG1 THR A 63 -10.394 -9.537 -30.332 1.00 32.00 O ATOM 984 CG2 THR A 63 -8.184 -8.915 -30.947 1.00 31.00 C ATOM 0 H THR A 63 -6.487 -9.798 -28.686 1.00 1.00 H new ATOM 0 HA THR A 63 -9.264 -10.406 -28.055 1.00 53.00 H new ATOM 0 HB THR A 63 -9.270 -8.201 -29.249 1.00 30.00 H new ATOM 0 HG1 THR A 63 -10.731 -8.854 -30.949 1.00 32.00 H new ATOM 0 HG21 THR A 63 -8.610 -8.189 -31.640 1.00 31.00 H new ATOM 0 HG22 THR A 63 -7.232 -8.542 -30.570 1.00 31.00 H new ATOM 0 HG23 THR A 63 -8.023 -9.860 -31.465 1.00 31.00 H new ATOM 992 N VAL A 64 -9.114 -12.316 -29.760 1.00 24.00 N ATOM 993 CA VAL A 64 -8.973 -13.557 -30.474 1.00 11.00 C ATOM 994 C VAL A 64 -10.100 -13.577 -31.486 1.00 44.00 C ATOM 995 O VAL A 64 -11.265 -13.832 -31.140 1.00 54.00 O ATOM 996 CB VAL A 64 -9.085 -14.810 -29.558 1.00 3.00 C ATOM 997 CG1 VAL A 64 -8.788 -16.073 -30.347 1.00 3.00 C ATOM 998 CG2 VAL A 64 -8.158 -14.714 -28.363 1.00 22.00 C ATOM 0 H VAL A 64 -10.065 -12.149 -29.432 1.00 24.00 H new ATOM 0 HA VAL A 64 -7.982 -13.605 -30.926 1.00 11.00 H new ATOM 0 HB VAL A 64 -10.109 -14.853 -29.186 1.00 3.00 H new ATOM 0 HG11 VAL A 64 -8.871 -16.940 -29.691 1.00 3.00 H new ATOM 0 HG12 VAL A 64 -9.502 -16.167 -31.165 1.00 3.00 H new ATOM 0 HG13 VAL A 64 -7.777 -16.020 -30.752 1.00 3.00 H new ATOM 0 HG21 VAL A 64 -8.265 -15.607 -27.747 1.00 22.00 H new ATOM 0 HG22 VAL A 64 -7.127 -14.632 -28.708 1.00 22.00 H new ATOM 0 HG23 VAL A 64 -8.414 -13.834 -27.773 1.00 22.00 H new ATOM 1008 N TYR A 65 -9.766 -13.266 -32.699 1.00 74.00 N ATOM 1009 CA TYR A 65 -10.734 -13.049 -33.750 1.00 44.00 C ATOM 1010 C TYR A 65 -10.283 -13.698 -35.032 1.00 14.00 C ATOM 1011 O TYR A 65 -9.285 -13.310 -35.622 1.00 20.00 O ATOM 1012 CB TYR A 65 -10.840 -11.517 -33.962 1.00 30.00 C ATOM 1013 CG TYR A 65 -11.755 -10.995 -35.087 1.00 33.00 C ATOM 1014 CD1 TYR A 65 -11.399 -11.109 -36.427 1.00 65.00 C ATOM 1015 CD2 TYR A 65 -12.952 -10.369 -34.797 1.00 14.00 C ATOM 1016 CE1 TYR A 65 -12.203 -10.631 -37.432 1.00 44.00 C ATOM 1017 CE2 TYR A 65 -13.767 -9.880 -35.802 1.00 54.00 C ATOM 1018 CZ TYR A 65 -13.385 -10.018 -37.117 1.00 24.00 C ATOM 1019 OH TYR A 65 -14.190 -9.529 -38.125 1.00 15.00 O ATOM 0 H TYR A 65 -8.798 -13.152 -33.001 1.00 74.00 H new ATOM 0 HA TYR A 65 -11.694 -13.483 -33.472 1.00 44.00 H new ATOM 0 HB2 TYR A 65 -11.180 -11.075 -33.025 1.00 30.00 H new ATOM 0 HB3 TYR A 65 -9.835 -11.137 -34.148 1.00 30.00 H new ATOM 0 HD1 TYR A 65 -10.465 -11.586 -36.684 1.00 65.00 H new ATOM 0 HD2 TYR A 65 -13.257 -10.259 -33.767 1.00 14.00 H new ATOM 0 HE1 TYR A 65 -11.904 -10.738 -38.464 1.00 44.00 H new ATOM 0 HE2 TYR A 65 -14.699 -9.392 -35.556 1.00 54.00 H new ATOM 0 HH TYR A 65 -14.993 -9.124 -37.735 1.00 15.00 H new ATOM 1029 N LYS A 66 -10.959 -14.708 -35.409 1.00 60.00 N ATOM 1030 CA LYS A 66 -10.886 -15.207 -36.698 1.00 23.00 C ATOM 1031 C LYS A 66 -12.107 -14.598 -37.362 1.00 24.00 C ATOM 1032 O LYS A 66 -12.997 -14.116 -36.655 1.00 63.00 O ATOM 1033 CB LYS A 66 -10.990 -16.725 -36.680 1.00 25.00 C ATOM 1034 CG LYS A 66 -10.716 -17.404 -38.014 1.00 74.00 C ATOM 1035 CD LYS A 66 -9.295 -17.176 -38.533 1.00 35.00 C ATOM 1036 CE LYS A 66 -9.137 -17.797 -39.914 1.00 22.00 C ATOM 1037 NZ LYS A 66 -7.780 -17.618 -40.486 1.00 35.00 N ATOM 0 H LYS A 66 -11.597 -15.220 -34.800 1.00 60.00 H new ATOM 0 HA LYS A 66 -9.952 -14.969 -37.208 1.00 23.00 H new ATOM 0 HB2 LYS A 66 -10.289 -17.113 -35.941 1.00 25.00 H new ATOM 0 HB3 LYS A 66 -11.990 -17.002 -36.347 1.00 25.00 H new ATOM 0 HG2 LYS A 66 -10.889 -18.475 -37.910 1.00 74.00 H new ATOM 0 HG3 LYS A 66 -11.428 -17.036 -38.753 1.00 74.00 H new ATOM 0 HD2 LYS A 66 -9.083 -16.108 -38.580 1.00 35.00 H new ATOM 0 HD3 LYS A 66 -8.573 -17.614 -37.844 1.00 35.00 H new ATOM 0 HE2 LYS A 66 -9.361 -18.862 -39.854 1.00 22.00 H new ATOM 0 HE3 LYS A 66 -9.870 -17.355 -40.589 1.00 22.00 H new ATOM 0 HZ1 LYS A 66 -7.738 -18.062 -41.425 1.00 35.00 H new ATOM 0 HZ2 LYS A 66 -7.571 -16.603 -40.574 1.00 35.00 H new ATOM 0 HZ3 LYS A 66 -7.078 -18.063 -39.861 1.00 35.00 H new ATOM 1051 N ARG A 67 -12.135 -14.646 -38.646 1.00 34.00 N ATOM 1052 CA ARG A 67 -13.171 -14.062 -39.519 1.00 52.00 C ATOM 1053 C ARG A 67 -14.590 -14.155 -38.947 1.00 72.00 C ATOM 1054 O ARG A 67 -15.273 -13.150 -38.794 1.00 34.00 O ATOM 1055 CB ARG A 67 -13.129 -14.779 -40.852 1.00 53.00 C ATOM 1056 CG ARG A 67 -14.120 -14.260 -41.856 1.00 45.00 C ATOM 1057 CD ARG A 67 -14.092 -15.099 -43.092 1.00 2.00 C ATOM 1058 NE ARG A 67 -15.048 -14.621 -44.087 1.00 65.00 N ATOM 1059 CZ ARG A 67 -15.625 -15.365 -45.033 1.00 63.00 C ATOM 1060 NH1 ARG A 67 -15.363 -16.669 -45.128 1.00 12.00 N ATOM 1061 NH2 ARG A 67 -16.466 -14.795 -45.884 1.00 4.00 N ATOM 0 H ARG A 67 -11.403 -15.117 -39.178 1.00 34.00 H new ATOM 0 HA ARG A 67 -12.947 -13.000 -39.616 1.00 52.00 H new ATOM 0 HB2 ARG A 67 -12.126 -14.692 -41.269 1.00 53.00 H new ATOM 0 HB3 ARG A 67 -13.315 -15.840 -40.688 1.00 53.00 H new ATOM 0 HG2 ARG A 67 -15.122 -14.267 -41.426 1.00 45.00 H new ATOM 0 HG3 ARG A 67 -13.887 -13.225 -42.105 1.00 45.00 H new ATOM 0 HD2 ARG A 67 -13.088 -15.089 -43.517 1.00 2.00 H new ATOM 0 HD3 ARG A 67 -14.319 -16.134 -42.836 1.00 2.00 H new ATOM 0 HE ARG A 67 -15.296 -13.632 -44.056 1.00 65.00 H new ATOM 0 HH11 ARG A 67 -14.716 -17.108 -44.473 1.00 12.00 H new ATOM 0 HH12 ARG A 67 -15.810 -17.227 -45.855 1.00 12.00 H new ATOM 0 HH21 ARG A 67 -16.666 -13.797 -45.812 1.00 4.00 H new ATOM 0 HH22 ARG A 67 -16.913 -15.354 -46.611 1.00 4.00 H new ATOM 1075 N ASP A 68 -14.998 -15.354 -38.627 1.00 3.00 N ATOM 1076 CA ASP A 68 -16.335 -15.606 -38.124 1.00 62.00 C ATOM 1077 C ASP A 68 -16.251 -16.217 -36.727 1.00 25.00 C ATOM 1078 O ASP A 68 -17.249 -16.571 -36.116 1.00 75.00 O ATOM 1079 CB ASP A 68 -17.085 -16.533 -39.121 1.00 2.00 C ATOM 1080 CG ASP A 68 -18.515 -16.894 -38.735 1.00 73.00 C ATOM 1081 OD1 ASP A 68 -19.393 -15.992 -38.668 1.00 32.00 O ATOM 1082 OD2 ASP A 68 -18.803 -18.098 -38.539 1.00 21.00 O ATOM 0 H ASP A 68 -14.417 -16.189 -38.705 1.00 3.00 H new ATOM 0 HA ASP A 68 -16.895 -14.674 -38.041 1.00 62.00 H new ATOM 0 HB2 ASP A 68 -17.102 -16.049 -40.097 1.00 2.00 H new ATOM 0 HB3 ASP A 68 -16.514 -17.455 -39.233 1.00 2.00 H new ATOM 1087 N ARG A 69 -15.055 -16.291 -36.186 1.00 74.00 N ATOM 1088 CA ARG A 69 -14.906 -16.872 -34.890 1.00 63.00 C ATOM 1089 C ARG A 69 -14.075 -16.017 -33.963 1.00 65.00 C ATOM 1090 O ARG A 69 -12.840 -16.122 -33.889 1.00 3.00 O ATOM 1091 CB ARG A 69 -14.407 -18.321 -34.906 1.00 71.00 C ATOM 1092 CG ARG A 69 -14.343 -18.945 -33.502 1.00 33.00 C ATOM 1093 CD ARG A 69 -15.720 -19.085 -32.866 1.00 34.00 C ATOM 1094 NE ARG A 69 -16.552 -20.050 -33.583 1.00 72.00 N ATOM 1095 CZ ARG A 69 -17.835 -19.871 -33.929 1.00 54.00 C ATOM 1096 NH1 ARG A 69 -18.433 -18.698 -33.740 1.00 64.00 N ATOM 1097 NH2 ARG A 69 -18.504 -20.867 -34.498 1.00 22.00 N ATOM 0 H ARG A 69 -14.193 -15.961 -36.620 1.00 74.00 H new ATOM 0 HA ARG A 69 -15.919 -16.908 -34.490 1.00 63.00 H new ATOM 0 HB2 ARG A 69 -15.065 -18.920 -35.535 1.00 71.00 H new ATOM 0 HB3 ARG A 69 -13.416 -18.354 -35.359 1.00 71.00 H new ATOM 0 HG2 ARG A 69 -13.873 -19.927 -33.565 1.00 33.00 H new ATOM 0 HG3 ARG A 69 -13.711 -18.329 -32.862 1.00 33.00 H new ATOM 0 HD2 ARG A 69 -15.611 -19.399 -31.828 1.00 34.00 H new ATOM 0 HD3 ARG A 69 -16.216 -18.114 -32.855 1.00 34.00 H new ATOM 0 HE ARG A 69 -16.119 -20.936 -33.843 1.00 72.00 H new ATOM 0 HH11 ARG A 69 -17.915 -17.922 -33.328 1.00 64.00 H new ATOM 0 HH12 ARG A 69 -19.410 -18.574 -34.007 1.00 64.00 H new ATOM 0 HH21 ARG A 69 -18.042 -21.760 -34.669 1.00 22.00 H new ATOM 0 HH22 ARG A 69 -19.480 -20.739 -34.764 1.00 22.00 H new ATOM 1111 N ILE A 70 -14.749 -15.129 -33.349 1.00 30.00 N ATOM 1112 CA ILE A 70 -14.252 -14.359 -32.283 1.00 42.00 C ATOM 1113 C ILE A 70 -14.443 -15.201 -31.077 1.00 73.00 C ATOM 1114 O ILE A 70 -15.527 -15.749 -30.848 1.00 2.00 O ATOM 1115 CB ILE A 70 -15.052 -13.058 -32.029 1.00 12.00 C ATOM 1116 CG1 ILE A 70 -15.197 -12.172 -33.255 1.00 44.00 C ATOM 1117 CG2 ILE A 70 -14.432 -12.254 -30.895 1.00 25.00 C ATOM 1118 CD1 ILE A 70 -16.225 -12.605 -34.297 1.00 5.00 C ATOM 0 H ILE A 70 -15.715 -14.907 -33.589 1.00 30.00 H new ATOM 0 HA ILE A 70 -13.224 -14.076 -32.508 1.00 42.00 H new ATOM 0 HB ILE A 70 -16.055 -13.386 -31.756 1.00 12.00 H new ATOM 0 HG12 ILE A 70 -15.455 -11.167 -32.920 1.00 44.00 H new ATOM 0 HG13 ILE A 70 -14.225 -12.106 -33.743 1.00 44.00 H new ATOM 0 HG21 ILE A 70 -15.011 -11.345 -30.735 1.00 25.00 H new ATOM 0 HG22 ILE A 70 -14.434 -12.851 -29.983 1.00 25.00 H new ATOM 0 HG23 ILE A 70 -13.407 -11.990 -31.154 1.00 25.00 H new ATOM 0 HD11 ILE A 70 -16.232 -11.891 -35.120 1.00 5.00 H new ATOM 0 HD12 ILE A 70 -15.965 -13.593 -34.676 1.00 5.00 H new ATOM 0 HD13 ILE A 70 -17.214 -12.641 -33.840 1.00 5.00 H new ATOM 1130 N VAL A 71 -13.444 -15.323 -30.353 1.00 1.00 N ATOM 1131 CA VAL A 71 -13.480 -16.100 -29.154 1.00 53.00 C ATOM 1132 C VAL A 71 -13.492 -15.142 -27.983 1.00 21.00 C ATOM 1133 O VAL A 71 -14.153 -15.368 -26.984 1.00 44.00 O ATOM 1134 CB VAL A 71 -12.255 -17.036 -29.068 1.00 11.00 C ATOM 1135 CG1 VAL A 71 -12.427 -18.070 -27.970 1.00 63.00 C ATOM 1136 CG2 VAL A 71 -11.988 -17.693 -30.413 1.00 52.00 C ATOM 0 H VAL A 71 -12.541 -14.891 -30.549 1.00 1.00 H new ATOM 0 HA VAL A 71 -14.371 -16.727 -29.144 1.00 53.00 H new ATOM 0 HB VAL A 71 -11.385 -16.432 -28.810 1.00 11.00 H new ATOM 0 HG11 VAL A 71 -11.548 -18.713 -27.935 1.00 63.00 H new ATOM 0 HG12 VAL A 71 -12.546 -17.566 -27.011 1.00 63.00 H new ATOM 0 HG13 VAL A 71 -13.311 -18.674 -28.174 1.00 63.00 H new ATOM 0 HG21 VAL A 71 -11.121 -18.349 -30.332 1.00 52.00 H new ATOM 0 HG22 VAL A 71 -12.858 -18.277 -30.712 1.00 52.00 H new ATOM 0 HG23 VAL A 71 -11.793 -16.925 -31.161 1.00 52.00 H new ATOM 1146 N LEU A 72 -12.794 -14.036 -28.159 1.00 44.00 N ATOM 1147 CA LEU A 72 -12.674 -13.010 -27.142 1.00 20.00 C ATOM 1148 C LEU A 72 -12.399 -11.712 -27.861 1.00 4.00 C ATOM 1149 O LEU A 72 -11.450 -11.650 -28.615 1.00 55.00 O ATOM 1150 CB LEU A 72 -11.468 -13.230 -26.154 1.00 20.00 C ATOM 1151 CG LEU A 72 -11.409 -14.508 -25.285 1.00 73.00 C ATOM 1152 CD1 LEU A 72 -10.783 -15.668 -26.017 1.00 34.00 C ATOM 1153 CD2 LEU A 72 -10.670 -14.254 -23.996 1.00 24.00 C ATOM 0 H LEU A 72 -12.290 -13.823 -29.020 1.00 44.00 H new ATOM 0 HA LEU A 72 -13.594 -13.023 -26.557 1.00 20.00 H new ATOM 0 HB2 LEU A 72 -10.553 -13.197 -26.745 1.00 20.00 H new ATOM 0 HB3 LEU A 72 -11.442 -12.376 -25.478 1.00 20.00 H new ATOM 0 HG LEU A 72 -12.440 -14.776 -25.056 1.00 73.00 H new ATOM 0 HD11 LEU A 72 -10.764 -16.542 -25.366 1.00 34.00 H new ATOM 0 HD12 LEU A 72 -11.367 -15.893 -26.909 1.00 34.00 H new ATOM 0 HD13 LEU A 72 -9.764 -15.409 -26.306 1.00 34.00 H new ATOM 0 HD21 LEU A 72 -10.644 -15.170 -23.405 1.00 24.00 H new ATOM 0 HD22 LEU A 72 -9.651 -13.936 -24.217 1.00 24.00 H new ATOM 0 HD23 LEU A 72 -11.180 -13.473 -23.432 1.00 24.00 H new ATOM 1165 N ASN A 73 -13.219 -10.705 -27.698 1.00 22.00 N ATOM 1166 CA ASN A 73 -12.899 -9.395 -28.300 1.00 61.00 C ATOM 1167 C ASN A 73 -12.902 -8.300 -27.254 1.00 4.00 C ATOM 1168 O ASN A 73 -12.971 -7.109 -27.566 1.00 54.00 O ATOM 1169 CB ASN A 73 -13.797 -9.000 -29.512 1.00 64.00 C ATOM 1170 CG ASN A 73 -15.226 -8.517 -29.202 1.00 54.00 C ATOM 1171 OD1 ASN A 73 -15.723 -7.631 -29.876 1.00 5.00 O ATOM 1172 ND2 ASN A 73 -15.914 -9.109 -28.275 1.00 41.00 N ATOM 0 H ASN A 73 -14.093 -10.742 -27.173 1.00 22.00 H new ATOM 0 HA ASN A 73 -11.894 -9.508 -28.706 1.00 61.00 H new ATOM 0 HB2 ASN A 73 -13.287 -8.213 -30.067 1.00 64.00 H new ATOM 0 HB3 ASN A 73 -13.868 -9.862 -30.175 1.00 64.00 H new ATOM 0 HD21 ASN A 73 -16.881 -8.834 -28.104 1.00 41.00 H new ATOM 0 HD22 ASN A 73 -15.488 -9.849 -27.717 1.00 41.00 H new ATOM 1179 N ASN A 74 -12.754 -8.698 -26.020 1.00 1.00 N ATOM 1180 CA ASN A 74 -12.751 -7.781 -24.911 1.00 60.00 C ATOM 1181 C ASN A 74 -11.818 -8.323 -23.863 1.00 75.00 C ATOM 1182 O ASN A 74 -12.240 -9.008 -22.919 1.00 3.00 O ATOM 1183 CB ASN A 74 -14.168 -7.573 -24.315 1.00 74.00 C ATOM 1184 CG ASN A 74 -14.249 -6.466 -23.249 1.00 15.00 C ATOM 1185 OD1 ASN A 74 -13.271 -6.136 -22.574 1.00 64.00 O ATOM 1186 ND2 ASN A 74 -15.423 -5.928 -23.062 1.00 43.00 N ATOM 0 H ASN A 74 -12.631 -9.675 -25.753 1.00 1.00 H new ATOM 0 HA ASN A 74 -12.417 -6.805 -25.262 1.00 60.00 H new ATOM 0 HB2 ASN A 74 -14.858 -7.334 -25.124 1.00 74.00 H new ATOM 0 HB3 ASN A 74 -14.506 -8.511 -23.875 1.00 74.00 H new ATOM 0 HD21 ASN A 74 -15.549 -5.216 -22.343 1.00 43.00 H new ATOM 0 HD22 ASN A 74 -16.215 -6.220 -23.635 1.00 43.00 H new ATOM 1193 N CYS A 75 -10.560 -8.131 -24.102 1.00 73.00 N ATOM 1194 CA CYS A 75 -9.543 -8.486 -23.170 1.00 32.00 C ATOM 1195 C CYS A 75 -8.724 -7.309 -22.910 1.00 1.00 C ATOM 1196 O CYS A 75 -8.342 -6.600 -23.840 1.00 64.00 O ATOM 1197 CB CYS A 75 -8.697 -9.647 -23.639 1.00 44.00 C ATOM 1198 SG CYS A 75 -9.499 -11.227 -23.393 1.00 54.00 S ATOM 0 H CYS A 75 -10.207 -7.716 -24.964 1.00 73.00 H new ATOM 0 HA CYS A 75 -10.020 -8.824 -22.250 1.00 32.00 H new ATOM 0 HB2 CYS A 75 -8.468 -9.521 -24.697 1.00 44.00 H new ATOM 0 HB3 CYS A 75 -7.747 -9.639 -23.104 1.00 44.00 H new ATOM 1203 N GLN A 76 -8.469 -7.074 -21.673 1.00 33.00 N ATOM 1204 CA GLN A 76 -7.814 -5.926 -21.246 1.00 33.00 C ATOM 1205 C GLN A 76 -6.826 -6.386 -20.279 1.00 63.00 C ATOM 1206 O GLN A 76 -7.147 -6.988 -19.273 1.00 4.00 O ATOM 1207 CB GLN A 76 -8.812 -4.937 -20.683 1.00 5.00 C ATOM 1208 CG GLN A 76 -9.802 -4.503 -21.753 1.00 74.00 C ATOM 1209 CD GLN A 76 -10.871 -3.574 -21.244 1.00 22.00 C ATOM 1210 OE1 GLN A 76 -10.648 -2.785 -20.327 1.00 42.00 O ATOM 1211 NE2 GLN A 76 -12.048 -3.674 -21.797 1.00 21.00 N ATOM 0 H GLN A 76 -8.726 -7.708 -20.917 1.00 33.00 H new ATOM 0 HA GLN A 76 -7.314 -5.386 -22.050 1.00 33.00 H new ATOM 0 HB2 GLN A 76 -9.347 -5.388 -19.847 1.00 5.00 H new ATOM 0 HB3 GLN A 76 -8.287 -4.066 -20.292 1.00 5.00 H new ATOM 0 HG2 GLN A 76 -9.259 -4.011 -22.560 1.00 74.00 H new ATOM 0 HG3 GLN A 76 -10.274 -5.388 -22.179 1.00 74.00 H new ATOM 0 HE21 GLN A 76 -12.200 -4.338 -22.556 1.00 21.00 H new ATOM 0 HE22 GLN A 76 -12.816 -3.088 -21.471 1.00 21.00 H new ATOM 1220 N LEU A 77 -5.647 -6.238 -20.672 1.00 52.00 N ATOM 1221 CA LEU A 77 -4.541 -6.806 -19.994 1.00 50.00 C ATOM 1222 C LEU A 77 -3.974 -5.861 -18.905 1.00 20.00 C ATOM 1223 O LEU A 77 -3.885 -4.648 -19.123 1.00 44.00 O ATOM 1224 CB LEU A 77 -3.513 -7.262 -21.082 1.00 10.00 C ATOM 1225 CG LEU A 77 -2.089 -7.676 -20.683 1.00 3.00 C ATOM 1226 CD1 LEU A 77 -1.249 -6.451 -20.370 1.00 12.00 C ATOM 1227 CD2 LEU A 77 -2.103 -8.664 -19.522 1.00 62.00 C ATOM 0 H LEU A 77 -5.394 -5.702 -21.502 1.00 52.00 H new ATOM 0 HA LEU A 77 -4.836 -7.684 -19.419 1.00 50.00 H new ATOM 0 HB2 LEU A 77 -3.957 -8.105 -21.611 1.00 10.00 H new ATOM 0 HB3 LEU A 77 -3.422 -6.447 -21.800 1.00 10.00 H new ATOM 0 HG LEU A 77 -1.631 -8.188 -21.529 1.00 3.00 H new ATOM 0 HD11 LEU A 77 -0.243 -6.762 -20.089 1.00 12.00 H new ATOM 0 HD12 LEU A 77 -1.198 -5.810 -21.250 1.00 12.00 H new ATOM 0 HD13 LEU A 77 -1.702 -5.900 -19.546 1.00 12.00 H new ATOM 0 HD21 LEU A 77 -1.080 -8.937 -19.264 1.00 62.00 H new ATOM 0 HD22 LEU A 77 -2.584 -8.204 -18.659 1.00 62.00 H new ATOM 0 HD23 LEU A 77 -2.655 -9.558 -19.812 1.00 62.00 H new ATOM 1239 N GLN A 78 -3.615 -6.418 -17.733 1.00 24.00 N ATOM 1240 CA GLN A 78 -2.951 -5.627 -16.701 1.00 50.00 C ATOM 1241 C GLN A 78 -1.443 -5.499 -16.984 1.00 74.00 C ATOM 1242 O GLN A 78 -0.913 -4.391 -17.090 1.00 70.00 O ATOM 1243 CB GLN A 78 -3.209 -6.183 -15.277 1.00 65.00 C ATOM 1244 CG GLN A 78 -2.794 -7.627 -15.045 1.00 0.00 C ATOM 1245 CD GLN A 78 -3.027 -8.098 -13.610 1.00 50.00 C ATOM 1246 OE1 GLN A 78 -3.291 -9.271 -13.366 1.00 73.00 O ATOM 1247 NE2 GLN A 78 -2.886 -7.208 -12.654 1.00 14.00 N ATOM 0 H GLN A 78 -3.773 -7.395 -17.487 1.00 24.00 H new ATOM 0 HA GLN A 78 -3.388 -4.629 -16.735 1.00 50.00 H new ATOM 0 HB2 GLN A 78 -2.681 -5.554 -14.561 1.00 65.00 H new ATOM 0 HB3 GLN A 78 -4.273 -6.091 -15.059 1.00 65.00 H new ATOM 0 HG2 GLN A 78 -3.349 -8.272 -15.727 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.738 -7.738 -15.290 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.666 -6.240 -12.887 1.00 14.00 H new ATOM 0 HE22 GLN A 78 -2.996 -7.485 -11.679 1.00 14.00 H new ATOM 1256 N ASN A 79 -0.784 -6.640 -17.154 1.00 60.00 N ATOM 1257 CA ASN A 79 0.645 -6.754 -17.389 1.00 15.00 C ATOM 1258 C ASN A 79 0.900 -8.228 -17.503 1.00 21.00 C ATOM 1259 O ASN A 79 0.577 -8.951 -16.566 1.00 70.00 O ATOM 1260 CB ASN A 79 1.420 -6.179 -16.189 1.00 15.00 C ATOM 1261 CG ASN A 79 2.921 -6.357 -16.271 1.00 11.00 C ATOM 1262 OD1 ASN A 79 3.514 -6.425 -17.355 1.00 50.00 O ATOM 1263 ND2 ASN A 79 3.549 -6.390 -15.134 1.00 25.00 N ATOM 0 H ASN A 79 -1.253 -7.546 -17.130 1.00 60.00 H new ATOM 0 HA ASN A 79 0.964 -6.209 -18.277 1.00 15.00 H new ATOM 0 HB2 ASN A 79 1.197 -5.116 -16.104 1.00 15.00 H new ATOM 0 HB3 ASN A 79 1.059 -6.655 -15.277 1.00 15.00 H new ATOM 0 HD21 ASN A 79 4.565 -6.474 -15.115 1.00 25.00 H new ATOM 0 HD22 ASN A 79 3.026 -6.331 -14.260 1.00 25.00 H new ATOM 1270 N PRO A 80 1.386 -8.737 -18.656 1.00 62.00 N ATOM 1271 CA PRO A 80 1.563 -10.165 -18.829 1.00 33.00 C ATOM 1272 C PRO A 80 2.692 -10.716 -17.963 1.00 1.00 C ATOM 1273 O PRO A 80 2.658 -11.880 -17.517 1.00 3.00 O ATOM 1274 CB PRO A 80 1.904 -10.303 -20.315 1.00 22.00 C ATOM 1275 CG PRO A 80 2.574 -9.024 -20.639 1.00 44.00 C ATOM 1276 CD PRO A 80 1.777 -8.003 -19.896 1.00 1.00 C ATOM 0 HA PRO A 80 0.678 -10.727 -18.530 1.00 33.00 H new ATOM 0 HB2 PRO A 80 2.558 -11.156 -20.499 1.00 22.00 H new ATOM 0 HB3 PRO A 80 1.009 -10.451 -20.920 1.00 22.00 H new ATOM 0 HG2 PRO A 80 3.616 -9.027 -20.320 1.00 44.00 H new ATOM 0 HG3 PRO A 80 2.570 -8.831 -21.712 1.00 44.00 H new ATOM 0 HD2 PRO A 80 2.365 -7.113 -19.672 1.00 1.00 H new ATOM 0 HD3 PRO A 80 0.907 -7.675 -20.465 1.00 1.00 H new ATOM 1284 N GLN A 81 3.659 -9.857 -17.676 1.00 52.00 N ATOM 1285 CA GLN A 81 4.810 -10.220 -16.966 1.00 42.00 C ATOM 1286 C GLN A 81 4.534 -10.225 -15.475 1.00 72.00 C ATOM 1287 O GLN A 81 4.847 -9.281 -14.739 1.00 71.00 O ATOM 1288 CB GLN A 81 5.917 -9.281 -17.315 1.00 2.00 C ATOM 1289 CG GLN A 81 7.260 -9.719 -16.840 1.00 43.00 C ATOM 1290 CD GLN A 81 8.349 -8.741 -17.203 1.00 52.00 C ATOM 1291 OE1 GLN A 81 8.660 -7.825 -16.441 1.00 73.00 O ATOM 1292 NE2 GLN A 81 8.922 -8.903 -18.363 1.00 34.00 N ATOM 0 H GLN A 81 3.636 -8.875 -17.950 1.00 52.00 H new ATOM 0 HA GLN A 81 5.110 -11.231 -17.243 1.00 42.00 H new ATOM 0 HB2 GLN A 81 5.948 -9.160 -18.398 1.00 2.00 H new ATOM 0 HB3 GLN A 81 5.695 -8.302 -16.891 1.00 2.00 H new ATOM 0 HG2 GLN A 81 7.236 -9.845 -15.758 1.00 43.00 H new ATOM 0 HG3 GLN A 81 7.493 -10.693 -17.269 1.00 43.00 H new ATOM 0 HE21 GLN A 81 8.639 -9.673 -18.969 1.00 34.00 H new ATOM 0 HE22 GLN A 81 9.653 -8.259 -18.665 1.00 34.00 H new ATOM 1301 N ARG A 82 3.866 -11.229 -15.086 1.00 14.00 N ATOM 1302 CA ARG A 82 3.528 -11.467 -13.723 1.00 54.00 C ATOM 1303 C ARG A 82 4.414 -12.570 -13.181 1.00 61.00 C ATOM 1304 O ARG A 82 4.292 -13.714 -13.624 1.00 70.00 O ATOM 1305 CB ARG A 82 1.996 -11.755 -13.546 1.00 55.00 C ATOM 1306 CG ARG A 82 1.419 -12.928 -14.362 1.00 10.00 C ATOM 1307 CD ARG A 82 0.945 -14.073 -13.456 1.00 41.00 C ATOM 1308 NE ARG A 82 2.038 -14.601 -12.643 1.00 44.00 N ATOM 1309 CZ ARG A 82 1.923 -15.319 -11.528 1.00 1.00 C ATOM 1310 NH1 ARG A 82 0.743 -15.819 -11.154 1.00 72.00 N ATOM 1311 NH2 ARG A 82 3.004 -15.578 -10.815 1.00 1.00 N ATOM 1312 OXT ARG A 82 5.256 -12.304 -12.317 1.00 33.00 O ATOM 0 H ARG A 82 3.518 -11.946 -15.723 1.00 14.00 H new ATOM 0 HA ARG A 82 3.714 -10.568 -13.136 1.00 54.00 H new ATOM 0 HB2 ARG A 82 1.805 -11.947 -12.490 1.00 55.00 H new ATOM 0 HB3 ARG A 82 1.446 -10.852 -13.811 1.00 55.00 H new ATOM 0 HG2 ARG A 82 0.585 -12.574 -14.967 1.00 10.00 H new ATOM 0 HG3 ARG A 82 2.178 -13.300 -15.051 1.00 10.00 H new ATOM 0 HD2 ARG A 82 0.146 -13.717 -12.806 1.00 41.00 H new ATOM 0 HD3 ARG A 82 0.526 -14.872 -14.067 1.00 41.00 H new ATOM 0 HE ARG A 82 2.985 -14.399 -12.962 1.00 44.00 H new ATOM 0 HH11 ARG A 82 -0.086 -15.653 -11.725 1.00 72.00 H new ATOM 0 HH12 ARG A 82 0.670 -16.367 -10.297 1.00 72.00 H new ATOM 0 HH21 ARG A 82 3.912 -15.229 -11.121 1.00 1.00 H new ATOM 0 HH22 ARG A 82 2.931 -16.127 -9.958 1.00 1.00 H new TER 1326 ARG A 82