USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.196) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 SER OG : rot 92:sc= -3.29 USER MOD Set 2.2: A 70 ASN : amide:sc= -13.1! C(o=-16!,f=-21!) USER MOD Set 3.1: A 24 GLN : amide:sc= -6.3! C(o=-8.4!,f=-10!) USER MOD Set 3.2: A 28 TYR OH : rot 150:sc= -2.07 USER MOD Set 4.1: A 3 THR OG1 : rot 79:sc= 0.419 USER MOD Set 4.2: A 5 GLN : amide:sc= -1.77 K(o=-1.3,f=-11!) USER MOD Single : A 1 ASN : amide:sc= -0.0558 K(o=-0.056,f=-1.8!) USER MOD Single : A 1 ASN N :NH3+ -110:sc= 0.0205 (180deg=-0.00987) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= -2.53! (180deg=-2.65!) USER MOD Single : A 10 ASN : amide:sc= -0.928 K(o=-0.93,f=-6.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= -0.0428 (180deg=-0.572) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -23:sc= 0.23 USER MOD Single : A 32 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.43) USER MOD Single : A 33 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 37 SER OG : rot 100:sc= -0.517 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -19.8! C(o=-20!,f=-11!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0437 USER MOD Single : A 51 GLN : amide:sc= -8.45! C(o=-8.4!,f=-18!) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.878 X(o=-0.88,f=-0.49) USER MOD Single : A 66 ASN : amide:sc= -3.63! C(o=-3.6!,f=-2.1!) USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= -6.14! (180deg=-12.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 1.714 22.778 6.705 1.00 0.00 N ATOM 2 CA ASN A 1 3.120 23.056 7.109 1.00 0.00 C ATOM 3 C ASN A 1 3.991 21.853 6.767 1.00 0.00 C ATOM 4 O ASN A 1 3.561 20.705 6.893 1.00 0.00 O ATOM 5 CB ASN A 1 3.170 23.329 8.615 1.00 0.00 C ATOM 6 CG ASN A 1 2.536 24.681 8.919 1.00 0.00 C ATOM 7 OD1 ASN A 1 2.422 25.529 8.033 1.00 0.00 O ATOM 8 ND2 ASN A 1 2.113 24.939 10.127 1.00 0.00 N ATOM 0 H1 ASN A 1 1.463 23.374 5.891 1.00 0.00 H new ATOM 0 H2 ASN A 1 1.620 21.776 6.443 1.00 0.00 H new ATOM 0 H3 ASN A 1 1.076 22.990 7.499 1.00 0.00 H new ATOM 0 HA ASN A 1 3.493 23.930 6.575 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.643 22.541 9.154 1.00 0.00 H new ATOM 0 HB3 ASN A 1 4.203 23.316 8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 1 1.688 25.842 10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 1 2.207 24.237 10.861 1.00 0.00 H new ATOM 17 N LEU A 2 5.218 22.121 6.329 1.00 0.00 N ATOM 18 CA LEU A 2 6.141 21.051 5.965 1.00 0.00 C ATOM 19 C LEU A 2 7.588 21.503 6.144 1.00 0.00 C ATOM 20 O LEU A 2 7.851 22.662 6.466 1.00 0.00 O ATOM 21 CB LEU A 2 5.911 20.634 4.511 1.00 0.00 C ATOM 22 CG LEU A 2 6.193 21.820 3.587 1.00 0.00 C ATOM 23 CD1 LEU A 2 7.594 21.683 2.989 1.00 0.00 C ATOM 24 CD2 LEU A 2 5.159 21.842 2.457 1.00 0.00 C ATOM 0 H LEU A 2 5.594 23.063 6.218 1.00 0.00 H new ATOM 0 HA LEU A 2 5.955 20.200 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.561 19.798 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.885 20.292 4.378 1.00 0.00 H new ATOM 0 HG LEU A 2 6.131 22.746 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.793 22.529 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.332 21.666 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.657 20.757 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.359 22.687 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.222 20.915 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.159 21.940 2.880 1.00 0.00 H new ATOM 36 N THR A 3 8.522 20.578 5.934 1.00 0.00 N ATOM 37 CA THR A 3 9.940 20.892 6.075 1.00 0.00 C ATOM 38 C THR A 3 10.707 20.460 4.828 1.00 0.00 C ATOM 39 O THR A 3 10.233 19.628 4.055 1.00 0.00 O ATOM 40 CB THR A 3 10.513 20.177 7.301 1.00 0.00 C ATOM 41 OG1 THR A 3 10.393 18.772 7.127 1.00 0.00 O ATOM 42 CG2 THR A 3 9.742 20.606 8.550 1.00 0.00 C ATOM 0 H THR A 3 8.324 19.613 5.668 1.00 0.00 H new ATOM 0 HA THR A 3 10.046 21.970 6.201 1.00 0.00 H new ATOM 0 HB THR A 3 11.564 20.440 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.104 18.454 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.151 20.096 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.835 21.684 8.683 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.690 20.344 8.436 1.00 0.00 H new ATOM 50 N LYS A 4 11.891 21.036 4.635 1.00 0.00 N ATOM 51 CA LYS A 4 12.709 20.705 3.472 1.00 0.00 C ATOM 52 C LYS A 4 14.008 20.023 3.893 1.00 0.00 C ATOM 53 O LYS A 4 14.768 20.553 4.705 1.00 0.00 O ATOM 54 CB LYS A 4 13.031 21.975 2.685 1.00 0.00 C ATOM 55 CG LYS A 4 13.898 21.622 1.474 1.00 0.00 C ATOM 56 CD LYS A 4 14.092 22.862 0.599 1.00 0.00 C ATOM 57 CE LYS A 4 14.956 23.885 1.341 1.00 0.00 C ATOM 58 NZ LYS A 4 15.209 25.057 0.456 1.00 0.00 N ATOM 0 H LYS A 4 12.302 21.727 5.262 1.00 0.00 H new ATOM 0 HA LYS A 4 12.144 20.017 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.109 22.456 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.553 22.688 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.865 21.244 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.426 20.828 0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.567 22.585 -0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.125 23.299 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.454 24.207 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.901 23.431 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.796 25.752 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.705 24.743 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.303 25.495 0.192 1.00 0.00 H new ATOM 72 N GLN A 5 14.259 18.849 3.322 1.00 0.00 N ATOM 73 CA GLN A 5 15.472 18.099 3.627 1.00 0.00 C ATOM 74 C GLN A 5 15.827 17.176 2.465 1.00 0.00 C ATOM 75 O GLN A 5 14.963 16.806 1.672 1.00 0.00 O ATOM 76 CB GLN A 5 15.284 17.279 4.914 1.00 0.00 C ATOM 77 CG GLN A 5 14.132 16.276 4.748 1.00 0.00 C ATOM 78 CD GLN A 5 12.838 16.863 5.304 1.00 0.00 C ATOM 79 OE1 GLN A 5 12.604 18.066 5.206 1.00 0.00 O ATOM 80 NE2 GLN A 5 11.976 16.077 5.890 1.00 0.00 N ATOM 0 H GLN A 5 13.641 18.398 2.648 1.00 0.00 H new ATOM 0 HA GLN A 5 16.288 18.805 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 5 16.206 16.748 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.076 17.946 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.004 16.029 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.371 15.347 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.169 15.079 5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.109 16.461 6.266 1.00 0.00 H new ATOM 89 N LYS A 6 17.100 16.804 2.366 1.00 0.00 N ATOM 90 CA LYS A 6 17.538 15.923 1.290 1.00 0.00 C ATOM 91 C LYS A 6 17.708 14.497 1.810 1.00 0.00 C ATOM 92 O LYS A 6 18.567 14.229 2.649 1.00 0.00 O ATOM 93 CB LYS A 6 18.863 16.432 0.718 1.00 0.00 C ATOM 94 CG LYS A 6 19.299 15.550 -0.453 1.00 0.00 C ATOM 95 CD LYS A 6 20.597 16.107 -1.048 1.00 0.00 C ATOM 96 CE LYS A 6 21.030 15.255 -2.248 1.00 0.00 C ATOM 97 NZ LYS A 6 21.393 13.879 -1.793 1.00 0.00 N ATOM 0 H LYS A 6 17.837 17.094 3.009 1.00 0.00 H new ATOM 0 HA LYS A 6 16.783 15.919 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.753 17.464 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.629 16.427 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.450 14.525 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.519 15.523 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.450 17.141 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.382 16.111 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.223 15.204 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.882 15.719 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.554 13.271 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.260 13.920 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.618 13.487 -1.221 1.00 0.00 H new ATOM 111 N GLU A 7 16.880 13.588 1.303 1.00 0.00 N ATOM 112 CA GLU A 7 16.939 12.191 1.722 1.00 0.00 C ATOM 113 C GLU A 7 18.263 11.552 1.305 1.00 0.00 C ATOM 114 O GLU A 7 18.842 10.765 2.052 1.00 0.00 O ATOM 115 CB GLU A 7 15.772 11.414 1.113 1.00 0.00 C ATOM 116 CG GLU A 7 14.464 11.864 1.768 1.00 0.00 C ATOM 117 CD GLU A 7 13.277 11.216 1.065 1.00 0.00 C ATOM 118 OE1 GLU A 7 13.481 10.641 0.008 1.00 0.00 O ATOM 119 OE2 GLU A 7 12.181 11.306 1.593 1.00 0.00 O ATOM 0 H GLU A 7 16.164 13.792 0.606 1.00 0.00 H new ATOM 0 HA GLU A 7 16.868 12.156 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.730 11.584 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.916 10.344 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.464 11.592 2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.378 12.949 1.718 1.00 0.00 H new ATOM 126 N ALA A 8 18.729 11.895 0.106 1.00 0.00 N ATOM 127 CA ALA A 8 19.984 11.348 -0.410 1.00 0.00 C ATOM 128 C ALA A 8 19.879 9.837 -0.605 1.00 0.00 C ATOM 129 O ALA A 8 20.837 9.100 -0.366 1.00 0.00 O ATOM 130 CB ALA A 8 21.129 11.664 0.556 1.00 0.00 C ATOM 0 H ALA A 8 18.260 12.546 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 8 20.186 11.810 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 8 22.059 11.253 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 8 21.226 12.744 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 8 20.917 11.220 1.529 1.00 0.00 H new ATOM 136 N VAL A 9 18.711 9.385 -1.046 1.00 0.00 N ATOM 137 CA VAL A 9 18.481 7.961 -1.277 1.00 0.00 C ATOM 138 C VAL A 9 17.812 7.748 -2.633 1.00 0.00 C ATOM 139 O VAL A 9 17.258 8.680 -3.214 1.00 0.00 O ATOM 140 CB VAL A 9 17.598 7.386 -0.167 1.00 0.00 C ATOM 141 CG1 VAL A 9 18.300 7.563 1.183 1.00 0.00 C ATOM 142 CG2 VAL A 9 16.246 8.119 -0.149 1.00 0.00 C ATOM 0 H VAL A 9 17.909 9.981 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 9 19.442 7.446 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 9 17.427 6.325 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 9 17.673 7.154 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 9 19.255 7.038 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 9 18.472 8.623 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 9 15.619 7.707 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.410 9.181 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.749 7.989 -1.110 1.00 0.00 H new ATOM 152 N ASN A 10 17.865 6.515 -3.135 1.00 0.00 N ATOM 153 CA ASN A 10 17.255 6.208 -4.427 1.00 0.00 C ATOM 154 C ASN A 10 15.736 6.088 -4.302 1.00 0.00 C ATOM 155 O ASN A 10 15.038 5.856 -5.289 1.00 0.00 O ATOM 156 CB ASN A 10 17.831 4.903 -4.983 1.00 0.00 C ATOM 157 CG ASN A 10 17.381 3.723 -4.126 1.00 0.00 C ATOM 158 OD1 ASN A 10 16.816 3.914 -3.049 1.00 0.00 O ATOM 159 ND2 ASN A 10 17.600 2.506 -4.544 1.00 0.00 N ATOM 0 H ASN A 10 18.316 5.724 -2.675 1.00 0.00 H new ATOM 0 HA ASN A 10 17.482 7.026 -5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.502 4.761 -6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.920 4.955 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.303 1.711 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.068 2.350 -5.437 1.00 0.00 H new ATOM 166 N ASP A 11 15.235 6.263 -3.089 1.00 0.00 N ATOM 167 CA ASP A 11 13.801 6.191 -2.837 1.00 0.00 C ATOM 168 C ASP A 11 13.224 7.581 -2.709 1.00 0.00 C ATOM 169 O ASP A 11 13.871 8.493 -2.196 1.00 0.00 O ATOM 170 CB ASP A 11 13.527 5.397 -1.558 1.00 0.00 C ATOM 171 CG ASP A 11 13.828 3.920 -1.787 1.00 0.00 C ATOM 172 OD1 ASP A 11 13.979 3.537 -2.936 1.00 0.00 O ATOM 173 OD2 ASP A 11 13.901 3.191 -0.811 1.00 0.00 O ATOM 0 H ASP A 11 15.799 6.456 -2.262 1.00 0.00 H new ATOM 0 HA ASP A 11 13.326 5.684 -3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 11 14.142 5.780 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.487 5.522 -1.258 1.00 0.00 H new ATOM 178 N LYS A 12 12.009 7.741 -3.188 1.00 0.00 N ATOM 179 CA LYS A 12 11.353 9.025 -3.134 1.00 0.00 C ATOM 180 C LYS A 12 11.180 9.472 -1.687 1.00 0.00 C ATOM 181 O LYS A 12 11.338 10.652 -1.373 1.00 0.00 O ATOM 182 CB LYS A 12 9.991 8.943 -3.814 1.00 0.00 C ATOM 183 CG LYS A 12 10.181 8.784 -5.325 1.00 0.00 C ATOM 184 CD LYS A 12 8.822 8.562 -5.995 1.00 0.00 C ATOM 185 CE LYS A 12 7.980 9.834 -5.887 1.00 0.00 C ATOM 186 NZ LYS A 12 6.695 9.643 -6.617 1.00 0.00 N ATOM 0 H LYS A 12 11.458 6.998 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 12 11.972 9.754 -3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.425 8.100 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.413 9.842 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.660 9.673 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.841 7.942 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.962 8.295 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.303 7.729 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.785 10.066 -4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.525 10.680 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.122 10.508 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.891 9.441 -7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.174 8.846 -6.199 1.00 0.00 H new ATOM 200 N GLY A 13 10.855 8.528 -0.806 1.00 0.00 N ATOM 201 CA GLY A 13 10.668 8.853 0.592 1.00 0.00 C ATOM 202 C GLY A 13 10.069 7.690 1.345 1.00 0.00 C ATOM 203 O GLY A 13 9.512 6.773 0.741 1.00 0.00 O ATOM 0 H GLY A 13 10.719 7.544 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.626 9.124 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.017 9.723 0.682 1.00 0.00 H new ATOM 207 N LYS A 14 10.142 7.736 2.670 1.00 0.00 N ATOM 208 CA LYS A 14 9.550 6.681 3.451 1.00 0.00 C ATOM 209 C LYS A 14 8.065 6.738 3.217 1.00 0.00 C ATOM 210 O LYS A 14 7.486 5.813 2.655 1.00 0.00 O ATOM 211 CB LYS A 14 9.885 6.858 4.925 1.00 0.00 C ATOM 212 CG LYS A 14 11.403 6.789 5.085 1.00 0.00 C ATOM 213 CD LYS A 14 11.771 6.896 6.565 1.00 0.00 C ATOM 214 CE LYS A 14 13.290 6.813 6.719 1.00 0.00 C ATOM 215 NZ LYS A 14 13.920 7.977 6.035 1.00 0.00 N ATOM 0 H LYS A 14 10.595 8.476 3.206 1.00 0.00 H new ATOM 0 HA LYS A 14 9.941 5.708 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.508 7.814 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.405 6.080 5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.779 5.852 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.874 7.596 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.404 7.837 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.293 6.095 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.560 6.808 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.660 5.881 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.875 8.130 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.983 7.787 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.343 8.827 6.194 1.00 0.00 H new ATOM 229 N ALA A 15 7.454 7.852 3.623 1.00 0.00 N ATOM 230 CA ALA A 15 6.034 8.044 3.406 1.00 0.00 C ATOM 231 C ALA A 15 5.775 7.932 1.902 1.00 0.00 C ATOM 232 O ALA A 15 5.718 6.850 1.410 1.00 0.00 O ATOM 233 CB ALA A 15 5.613 9.412 3.941 1.00 0.00 C ATOM 0 H ALA A 15 7.922 8.624 4.099 1.00 0.00 H new ATOM 0 HA ALA A 15 5.449 7.290 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.545 9.554 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.826 9.467 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.167 10.193 3.420 1.00 0.00 H new ATOM 239 N ALA A 16 5.668 9.073 1.192 1.00 0.00 N ATOM 240 CA ALA A 16 5.464 9.110 -0.282 1.00 0.00 C ATOM 241 C ALA A 16 5.256 7.734 -0.911 1.00 0.00 C ATOM 242 O ALA A 16 4.141 7.386 -1.284 1.00 0.00 O ATOM 243 CB ALA A 16 6.673 9.777 -0.940 1.00 0.00 C ATOM 0 H ALA A 16 5.720 9.998 1.618 1.00 0.00 H new ATOM 0 HA ALA A 16 4.549 9.677 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.529 9.807 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.780 10.793 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.573 9.207 -0.710 1.00 0.00 H new ATOM 249 N VAL A 17 6.332 6.967 -1.065 1.00 0.00 N ATOM 250 CA VAL A 17 6.205 5.660 -1.692 1.00 0.00 C ATOM 251 C VAL A 17 5.230 4.791 -0.908 1.00 0.00 C ATOM 252 O VAL A 17 4.288 4.244 -1.455 1.00 0.00 O ATOM 253 CB VAL A 17 7.546 4.971 -1.724 1.00 0.00 C ATOM 254 CG1 VAL A 17 7.332 3.546 -2.185 1.00 0.00 C ATOM 255 CG2 VAL A 17 8.485 5.701 -2.682 1.00 0.00 C ATOM 0 H VAL A 17 7.276 7.220 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 17 5.835 5.802 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 17 7.999 4.979 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.289 3.026 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.664 3.035 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.888 3.548 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.451 5.197 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.056 5.698 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.618 6.730 -2.347 1.00 0.00 H new ATOM 265 N VAL A 18 5.425 4.711 0.376 1.00 0.00 N ATOM 266 CA VAL A 18 4.524 3.971 1.216 1.00 0.00 C ATOM 267 C VAL A 18 3.153 4.616 1.111 1.00 0.00 C ATOM 268 O VAL A 18 2.132 3.955 1.126 1.00 0.00 O ATOM 269 CB VAL A 18 5.000 4.035 2.659 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.928 3.435 3.582 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.310 3.252 2.785 1.00 0.00 C ATOM 0 H VAL A 18 6.203 5.151 0.868 1.00 0.00 H new ATOM 0 HA VAL A 18 4.484 2.928 0.902 1.00 0.00 H new ATOM 0 HB VAL A 18 5.170 5.071 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.270 3.482 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.002 4.001 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.750 2.396 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.660 3.292 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.142 2.214 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.062 3.692 2.130 1.00 0.00 H new ATOM 281 N LYS A 19 3.177 5.935 1.038 1.00 0.00 N ATOM 282 CA LYS A 19 1.965 6.719 0.969 1.00 0.00 C ATOM 283 C LYS A 19 1.111 6.337 -0.231 1.00 0.00 C ATOM 284 O LYS A 19 -0.106 6.229 -0.104 1.00 0.00 O ATOM 285 CB LYS A 19 2.300 8.213 0.906 1.00 0.00 C ATOM 286 CG LYS A 19 1.094 9.019 1.379 1.00 0.00 C ATOM 287 CD LYS A 19 0.955 8.856 2.892 1.00 0.00 C ATOM 288 CE LYS A 19 1.679 10.003 3.597 1.00 0.00 C ATOM 289 NZ LYS A 19 1.494 9.876 5.070 1.00 0.00 N ATOM 0 H LYS A 19 4.035 6.487 1.025 1.00 0.00 H new ATOM 0 HA LYS A 19 1.392 6.509 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.166 8.430 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.564 8.496 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.219 10.071 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.190 8.674 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.098 8.850 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.374 7.900 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.740 9.984 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.289 10.960 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.986 10.656 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.480 9.915 5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.887 8.968 5.392 1.00 0.00 H new ATOM 303 N VAL A 20 1.720 6.119 -1.393 1.00 0.00 N ATOM 304 CA VAL A 20 0.924 5.738 -2.546 1.00 0.00 C ATOM 305 C VAL A 20 0.324 4.364 -2.328 1.00 0.00 C ATOM 306 O VAL A 20 -0.728 4.050 -2.875 1.00 0.00 O ATOM 307 CB VAL A 20 1.717 5.767 -3.856 1.00 0.00 C ATOM 308 CG1 VAL A 20 3.007 4.999 -3.699 1.00 0.00 C ATOM 309 CG2 VAL A 20 0.875 5.105 -4.953 1.00 0.00 C ATOM 0 H VAL A 20 2.724 6.197 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 20 0.131 6.479 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 20 1.946 6.800 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.563 5.026 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.606 5.451 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.785 3.964 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.427 5.118 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.659 4.074 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.060 5.652 -5.074 1.00 0.00 H new ATOM 319 N VAL A 21 0.982 3.546 -1.511 1.00 0.00 N ATOM 320 CA VAL A 21 0.446 2.213 -1.241 1.00 0.00 C ATOM 321 C VAL A 21 -0.671 2.322 -0.201 1.00 0.00 C ATOM 322 O VAL A 21 -1.702 1.673 -0.332 1.00 0.00 O ATOM 323 CB VAL A 21 1.543 1.219 -0.791 1.00 0.00 C ATOM 324 CG1 VAL A 21 2.927 1.778 -1.083 1.00 0.00 C ATOM 325 CG2 VAL A 21 1.426 0.909 0.703 1.00 0.00 C ATOM 0 H VAL A 21 1.858 3.770 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 21 0.038 1.811 -2.168 1.00 0.00 H new ATOM 0 HB VAL A 21 1.401 0.297 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.684 1.064 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.030 1.955 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.061 2.717 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.209 0.208 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.535 1.830 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.451 0.468 0.908 1.00 0.00 H new ATOM 335 N GLU A 22 -0.487 3.195 0.801 1.00 0.00 N ATOM 336 CA GLU A 22 -1.517 3.417 1.805 1.00 0.00 C ATOM 337 C GLU A 22 -2.715 3.942 1.089 1.00 0.00 C ATOM 338 O GLU A 22 -3.841 3.604 1.408 1.00 0.00 O ATOM 339 CB GLU A 22 -1.030 4.458 2.815 1.00 0.00 C ATOM 340 CG GLU A 22 0.122 3.874 3.632 1.00 0.00 C ATOM 341 CD GLU A 22 0.680 4.932 4.577 1.00 0.00 C ATOM 342 OE1 GLU A 22 0.288 6.080 4.447 1.00 0.00 O ATOM 343 OE2 GLU A 22 1.491 4.578 5.417 1.00 0.00 O ATOM 0 H GLU A 22 0.359 3.750 0.930 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.750 2.496 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.702 5.359 2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.847 4.750 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.226 3.012 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.908 3.519 2.965 1.00 0.00 H new ATOM 350 N SER A 23 -2.448 4.785 0.111 1.00 0.00 N ATOM 351 CA SER A 23 -3.489 5.380 -0.674 1.00 0.00 C ATOM 352 C SER A 23 -3.952 4.460 -1.828 1.00 0.00 C ATOM 353 O SER A 23 -5.038 4.670 -2.400 1.00 0.00 O ATOM 354 CB SER A 23 -3.001 6.707 -1.254 1.00 0.00 C ATOM 355 OG SER A 23 -4.063 7.326 -1.970 1.00 0.00 O ATOM 0 H SER A 23 -1.505 5.070 -0.154 1.00 0.00 H new ATOM 0 HA SER A 23 -4.341 5.542 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.656 7.362 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.151 6.537 -1.915 1.00 0.00 H new ATOM 0 HG SER A 23 -4.715 6.646 -2.241 1.00 0.00 H new ATOM 361 N GLN A 24 -3.220 3.360 -2.072 1.00 0.00 N ATOM 362 CA GLN A 24 -3.660 2.387 -3.070 1.00 0.00 C ATOM 363 C GLN A 24 -4.675 1.480 -2.432 1.00 0.00 C ATOM 364 O GLN A 24 -5.802 1.256 -2.904 1.00 0.00 O ATOM 365 CB GLN A 24 -2.477 1.538 -3.579 1.00 0.00 C ATOM 366 CG GLN A 24 -2.904 0.753 -4.842 1.00 0.00 C ATOM 367 CD GLN A 24 -2.521 -0.737 -4.733 1.00 0.00 C ATOM 368 OE1 GLN A 24 -2.310 -1.245 -3.633 1.00 0.00 O ATOM 369 NE2 GLN A 24 -2.437 -1.475 -5.830 1.00 0.00 N ATOM 0 H GLN A 24 -2.344 3.131 -1.602 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.089 2.920 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.628 2.181 -3.809 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.152 0.846 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.981 0.844 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.430 1.189 -5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.612 -1.054 -6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.197 -2.464 -5.762 1.00 0.00 H new ATOM 378 N ALA A 25 -4.233 0.995 -1.313 1.00 0.00 N ATOM 379 CA ALA A 25 -5.001 0.131 -0.510 1.00 0.00 C ATOM 380 C ALA A 25 -6.131 0.886 0.134 1.00 0.00 C ATOM 381 O ALA A 25 -7.204 0.367 0.292 1.00 0.00 O ATOM 382 CB ALA A 25 -4.133 -0.492 0.534 1.00 0.00 C ATOM 0 H ALA A 25 -3.308 1.200 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.423 -0.655 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.731 -1.160 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.336 -1.059 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.697 0.288 1.158 1.00 0.00 H new ATOM 388 N GLU A 26 -5.861 2.118 0.517 1.00 0.00 N ATOM 389 CA GLU A 26 -6.884 2.919 1.159 1.00 0.00 C ATOM 390 C GLU A 26 -8.142 2.804 0.374 1.00 0.00 C ATOM 391 O GLU A 26 -9.206 2.544 0.934 1.00 0.00 O ATOM 392 CB GLU A 26 -6.488 4.377 1.231 1.00 0.00 C ATOM 393 CG GLU A 26 -7.750 5.246 1.101 1.00 0.00 C ATOM 394 CD GLU A 26 -7.418 6.700 1.418 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.313 6.949 1.872 1.00 0.00 O ATOM 396 OE2 GLU A 26 -8.273 7.543 1.204 1.00 0.00 O ATOM 0 H GLU A 26 -4.959 2.580 0.398 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.018 2.551 2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.984 4.584 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.783 4.615 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.152 5.168 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.522 4.884 1.780 1.00 0.00 H new ATOM 403 N LEU A 27 -8.047 2.965 -0.938 1.00 0.00 N ATOM 404 CA LEU A 27 -9.252 2.825 -1.705 1.00 0.00 C ATOM 405 C LEU A 27 -9.799 1.491 -1.523 1.00 0.00 C ATOM 406 O LEU A 27 -10.960 1.335 -1.589 1.00 0.00 O ATOM 407 CB LEU A 27 -9.113 2.972 -3.168 1.00 0.00 C ATOM 408 CG LEU A 27 -9.179 4.445 -3.605 1.00 0.00 C ATOM 409 CD1 LEU A 27 -8.517 5.350 -2.563 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.440 4.596 -4.936 1.00 0.00 C ATOM 0 H LEU A 27 -7.197 3.180 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.879 3.636 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.164 2.541 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.903 2.410 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.224 4.737 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.575 6.387 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.032 5.243 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.472 5.065 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.479 5.637 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.400 4.294 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.913 3.965 -5.689 1.00 0.00 H new ATOM 422 N TYR A 28 -8.975 0.503 -1.359 1.00 0.00 N ATOM 423 CA TYR A 28 -9.526 -0.816 -1.237 1.00 0.00 C ATOM 424 C TYR A 28 -10.644 -0.807 -0.202 1.00 0.00 C ATOM 425 O TYR A 28 -11.742 -1.286 -0.438 1.00 0.00 O ATOM 426 CB TYR A 28 -8.493 -1.840 -0.837 1.00 0.00 C ATOM 427 CG TYR A 28 -7.429 -1.990 -1.902 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.384 -2.888 -1.693 1.00 0.00 C ATOM 429 CD2 TYR A 28 -7.500 -1.264 -3.104 1.00 0.00 C ATOM 430 CE1 TYR A 28 -5.415 -3.064 -2.673 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.525 -1.438 -4.078 1.00 0.00 C ATOM 432 CZ TYR A 28 -5.485 -2.337 -3.863 1.00 0.00 C ATOM 433 OH TYR A 28 -4.538 -2.528 -4.836 1.00 0.00 O ATOM 0 H TYR A 28 -7.959 0.574 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.908 -1.097 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.030 -1.544 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.978 -2.801 -0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.327 -3.446 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.312 -0.572 -3.270 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.607 -3.763 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.574 -0.877 -5.000 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.935 -2.362 -5.716 1.00 0.00 H new ATOM 443 N SER A 29 -10.391 -0.169 0.882 1.00 0.00 N ATOM 444 CA SER A 29 -11.404 -0.015 1.914 1.00 0.00 C ATOM 445 C SER A 29 -12.621 0.691 1.326 1.00 0.00 C ATOM 446 O SER A 29 -13.761 0.315 1.600 1.00 0.00 O ATOM 447 CB SER A 29 -10.855 0.835 3.052 1.00 0.00 C ATOM 448 OG SER A 29 -9.796 0.144 3.672 1.00 0.00 O ATOM 0 H SER A 29 -9.493 0.264 1.098 1.00 0.00 H new ATOM 0 HA SER A 29 -11.683 -1.000 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.506 1.795 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.641 1.047 3.777 1.00 0.00 H new ATOM 0 HG SER A 29 -8.948 0.401 3.253 1.00 0.00 H new ATOM 454 N LEU A 30 -12.369 1.684 0.474 1.00 0.00 N ATOM 455 CA LEU A 30 -13.457 2.389 -0.189 1.00 0.00 C ATOM 456 C LEU A 30 -14.197 1.422 -1.131 1.00 0.00 C ATOM 457 O LEU A 30 -15.409 1.229 -1.033 1.00 0.00 O ATOM 458 CB LEU A 30 -12.879 3.590 -0.956 1.00 0.00 C ATOM 459 CG LEU A 30 -13.966 4.235 -1.820 1.00 0.00 C ATOM 460 CD1 LEU A 30 -15.101 4.739 -0.924 1.00 0.00 C ATOM 461 CD2 LEU A 30 -13.369 5.415 -2.590 1.00 0.00 C ATOM 0 H LEU A 30 -11.434 2.012 0.231 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.175 2.759 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.480 4.322 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.049 3.265 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.356 3.498 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.874 5.198 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.527 3.902 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.711 5.476 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.141 5.876 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.980 6.150 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.559 5.061 -3.228 1.00 0.00 H new ATOM 473 N GLU A 31 -13.423 0.811 -2.006 1.00 0.00 N ATOM 474 CA GLU A 31 -13.906 -0.158 -2.954 1.00 0.00 C ATOM 475 C GLU A 31 -13.984 -1.551 -2.262 1.00 0.00 C ATOM 476 O GLU A 31 -14.931 -1.826 -1.534 1.00 0.00 O ATOM 477 CB GLU A 31 -12.961 -0.151 -4.190 1.00 0.00 C ATOM 478 CG GLU A 31 -13.250 -1.325 -5.141 1.00 0.00 C ATOM 479 CD GLU A 31 -14.702 -1.286 -5.601 1.00 0.00 C ATOM 480 OE1 GLU A 31 -15.302 -0.227 -5.511 1.00 0.00 O ATOM 481 OE2 GLU A 31 -15.193 -2.313 -6.037 1.00 0.00 O ATOM 0 H GLU A 31 -12.420 0.982 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.910 0.086 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.076 0.789 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.925 -0.202 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.586 -1.275 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.046 -2.270 -4.637 1.00 0.00 H new ATOM 488 N LYS A 32 -12.924 -2.350 -2.471 1.00 0.00 N ATOM 489 CA LYS A 32 -12.678 -3.683 -1.855 1.00 0.00 C ATOM 490 C LYS A 32 -13.566 -4.028 -0.652 1.00 0.00 C ATOM 491 O LYS A 32 -13.944 -5.184 -0.472 1.00 0.00 O ATOM 492 CB LYS A 32 -11.197 -3.811 -1.517 1.00 0.00 C ATOM 493 CG LYS A 32 -10.384 -3.599 -2.813 1.00 0.00 C ATOM 494 CD LYS A 32 -9.903 -4.944 -3.358 1.00 0.00 C ATOM 495 CE LYS A 32 -8.866 -5.541 -2.399 1.00 0.00 C ATOM 496 NZ LYS A 32 -8.009 -6.515 -3.134 1.00 0.00 N ATOM 0 H LYS A 32 -12.172 -2.078 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.965 -4.423 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.914 -3.073 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.988 -4.793 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.999 -3.095 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.530 -2.952 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.746 -5.626 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.466 -4.812 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.251 -4.748 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.367 -6.037 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.978 -7.414 -2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.404 -6.679 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.046 -6.133 -3.222 1.00 0.00 H new ATOM 510 N ASN A 33 -13.822 -3.009 0.188 1.00 0.00 N ATOM 511 CA ASN A 33 -14.597 -3.144 1.429 1.00 0.00 C ATOM 512 C ASN A 33 -13.696 -3.627 2.566 1.00 0.00 C ATOM 513 O ASN A 33 -13.392 -2.852 3.473 1.00 0.00 O ATOM 514 CB ASN A 33 -15.782 -4.103 1.252 1.00 0.00 C ATOM 515 CG ASN A 33 -16.568 -3.728 -0.002 1.00 0.00 C ATOM 516 OD1 ASN A 33 -17.016 -2.590 -0.137 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.752 -4.620 -0.937 1.00 0.00 N ATOM 0 H ASN A 33 -13.492 -2.059 0.020 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.996 -2.161 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.423 -5.129 1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.431 -4.058 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.268 -4.374 -1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.380 -5.563 -0.823 1.00 0.00 H new ATOM 524 N GLU A 34 -13.259 -4.881 2.538 1.00 0.00 N ATOM 525 CA GLU A 34 -12.399 -5.372 3.598 1.00 0.00 C ATOM 526 C GLU A 34 -11.320 -6.283 3.040 1.00 0.00 C ATOM 527 O GLU A 34 -11.578 -7.442 2.713 1.00 0.00 O ATOM 528 CB GLU A 34 -13.231 -6.129 4.629 1.00 0.00 C ATOM 529 CG GLU A 34 -12.327 -6.598 5.770 1.00 0.00 C ATOM 530 CD GLU A 34 -13.154 -7.315 6.831 1.00 0.00 C ATOM 531 OE1 GLU A 34 -14.356 -7.417 6.646 1.00 0.00 O ATOM 532 OE2 GLU A 34 -12.575 -7.750 7.811 1.00 0.00 O ATOM 0 H GLU A 34 -13.482 -5.559 1.809 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.917 -4.518 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.021 -5.486 5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.718 -6.985 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.558 -7.267 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.814 -5.744 6.213 1.00 0.00 H new ATOM 539 N ASP A 35 -10.110 -5.756 2.942 1.00 0.00 N ATOM 540 CA ASP A 35 -8.990 -6.536 2.434 1.00 0.00 C ATOM 541 C ASP A 35 -7.663 -6.101 3.074 1.00 0.00 C ATOM 542 O ASP A 35 -6.611 -6.671 2.783 1.00 0.00 O ATOM 543 CB ASP A 35 -8.902 -6.379 0.920 1.00 0.00 C ATOM 544 CG ASP A 35 -7.767 -7.235 0.369 1.00 0.00 C ATOM 545 OD1 ASP A 35 -7.885 -8.448 0.429 1.00 0.00 O ATOM 546 OD2 ASP A 35 -6.798 -6.666 -0.105 1.00 0.00 O ATOM 0 H ASP A 35 -9.878 -4.798 3.205 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.163 -7.581 2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.846 -6.673 0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.736 -5.333 0.664 1.00 0.00 H new ATOM 551 N ALA A 36 -7.742 -5.089 3.938 1.00 0.00 N ATOM 552 CA ALA A 36 -6.588 -4.539 4.649 1.00 0.00 C ATOM 553 C ALA A 36 -5.479 -5.516 4.868 1.00 0.00 C ATOM 554 O ALA A 36 -5.603 -6.442 5.670 1.00 0.00 O ATOM 555 CB ALA A 36 -7.057 -3.964 5.992 1.00 0.00 C ATOM 0 H ALA A 36 -8.620 -4.623 4.167 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.169 -3.760 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.203 -3.552 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.789 -3.176 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.513 -4.755 6.587 1.00 0.00 H new ATOM 561 N SER A 37 -4.378 -5.248 4.154 1.00 0.00 N ATOM 562 CA SER A 37 -3.168 -6.029 4.241 1.00 0.00 C ATOM 563 C SER A 37 -2.314 -5.822 3.013 1.00 0.00 C ATOM 564 O SER A 37 -2.581 -6.385 1.952 1.00 0.00 O ATOM 565 CB SER A 37 -3.484 -7.484 4.375 1.00 0.00 C ATOM 566 OG SER A 37 -2.322 -8.244 4.099 1.00 0.00 O ATOM 0 H SER A 37 -4.316 -4.471 3.496 1.00 0.00 H new ATOM 0 HA SER A 37 -2.622 -5.697 5.124 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.842 -7.699 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.284 -7.759 3.687 1.00 0.00 H new ATOM 0 HG SER A 37 -1.905 -8.522 4.941 1.00 0.00 H new ATOM 572 N LEU A 38 -1.264 -5.037 3.172 1.00 0.00 N ATOM 573 CA LEU A 38 -0.344 -4.784 2.097 1.00 0.00 C ATOM 574 C LEU A 38 0.376 -6.056 1.776 1.00 0.00 C ATOM 575 O LEU A 38 1.022 -6.166 0.761 1.00 0.00 O ATOM 576 CB LEU A 38 0.695 -3.741 2.553 1.00 0.00 C ATOM 577 CG LEU A 38 1.219 -2.833 1.421 1.00 0.00 C ATOM 578 CD1 LEU A 38 2.636 -3.265 1.047 1.00 0.00 C ATOM 579 CD2 LEU A 38 0.332 -2.874 0.181 1.00 0.00 C ATOM 0 H LEU A 38 -1.033 -4.564 4.046 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.886 -4.417 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.250 -3.117 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.539 -4.260 3.007 1.00 0.00 H new ATOM 0 HG LEU A 38 1.212 -1.808 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.012 -2.627 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.285 -3.176 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.623 -4.301 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.746 -2.218 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.287 -3.894 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.672 -2.540 0.441 1.00 0.00 H new ATOM 591 N ARG A 39 0.233 -7.017 2.661 1.00 0.00 N ATOM 592 CA ARG A 39 0.843 -8.286 2.500 1.00 0.00 C ATOM 593 C ARG A 39 0.045 -9.110 1.533 1.00 0.00 C ATOM 594 O ARG A 39 0.594 -9.786 0.673 1.00 0.00 O ATOM 595 CB ARG A 39 0.930 -8.951 3.871 1.00 0.00 C ATOM 596 CG ARG A 39 1.134 -7.854 4.942 1.00 0.00 C ATOM 597 CD ARG A 39 1.955 -8.403 6.109 1.00 0.00 C ATOM 598 NE ARG A 39 1.815 -7.539 7.278 1.00 0.00 N ATOM 599 CZ ARG A 39 0.798 -7.673 8.135 1.00 0.00 C ATOM 600 NH1 ARG A 39 -0.128 -8.580 7.943 1.00 0.00 N ATOM 601 NH2 ARG A 39 0.727 -6.889 9.177 1.00 0.00 N ATOM 0 H ARG A 39 -0.318 -6.923 3.514 1.00 0.00 H new ATOM 0 HA ARG A 39 1.849 -8.187 2.092 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.020 -9.515 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.757 -9.661 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.642 -6.996 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.167 -7.502 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.624 -9.412 6.353 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.005 -8.472 5.823 1.00 0.00 H new ATOM 0 HE ARG A 39 2.512 -6.814 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.079 -9.195 7.131 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.898 -8.671 8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.444 -6.181 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.046 -6.985 9.836 1.00 0.00 H new ATOM 615 N LYS A 40 -1.251 -9.093 1.738 1.00 0.00 N ATOM 616 CA LYS A 40 -2.174 -9.874 0.947 1.00 0.00 C ATOM 617 C LYS A 40 -2.523 -9.246 -0.379 1.00 0.00 C ATOM 618 O LYS A 40 -2.452 -9.912 -1.405 1.00 0.00 O ATOM 619 CB LYS A 40 -3.405 -10.016 1.724 1.00 0.00 C ATOM 620 CG LYS A 40 -3.359 -11.319 2.530 1.00 0.00 C ATOM 621 CD LYS A 40 -2.058 -11.379 3.340 1.00 0.00 C ATOM 622 CE LYS A 40 -2.090 -12.591 4.274 1.00 0.00 C ATOM 623 NZ LYS A 40 -0.808 -12.669 5.029 1.00 0.00 N ATOM 0 H LYS A 40 -1.698 -8.533 2.464 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.693 -10.827 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.523 -9.166 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.268 -10.019 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.218 -11.375 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.421 -12.176 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.202 -11.447 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.936 -10.464 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.928 -12.508 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.241 -13.504 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.829 -13.492 5.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.017 -12.767 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.682 -11.802 5.590 1.00 0.00 H new ATOM 637 N LEU A 41 -2.917 -7.974 -0.389 1.00 0.00 N ATOM 638 CA LEU A 41 -3.245 -7.377 -1.650 1.00 0.00 C ATOM 639 C LEU A 41 -2.036 -7.582 -2.517 1.00 0.00 C ATOM 640 O LEU A 41 -2.140 -7.996 -3.670 1.00 0.00 O ATOM 641 CB LEU A 41 -3.662 -5.898 -1.499 1.00 0.00 C ATOM 642 CG LEU A 41 -2.458 -4.963 -1.334 1.00 0.00 C ATOM 643 CD1 LEU A 41 -2.040 -4.435 -2.696 1.00 0.00 C ATOM 644 CD2 LEU A 41 -2.846 -3.793 -0.431 1.00 0.00 C ATOM 0 H LEU A 41 -3.010 -7.372 0.429 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.119 -7.840 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.236 -5.595 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.319 -5.795 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.628 -5.510 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.184 -3.770 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.767 -5.270 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.869 -3.886 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.992 -3.126 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.674 -3.245 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.150 -4.172 0.545 1.00 0.00 H new ATOM 656 N GLN A 42 -0.873 -7.331 -1.935 1.00 0.00 N ATOM 657 CA GLN A 42 0.325 -7.521 -2.601 1.00 0.00 C ATOM 658 C GLN A 42 0.529 -8.999 -2.847 1.00 0.00 C ATOM 659 O GLN A 42 1.082 -9.384 -3.864 1.00 0.00 O ATOM 660 CB GLN A 42 1.462 -6.884 -1.797 1.00 0.00 C ATOM 661 CG GLN A 42 2.796 -6.881 -2.547 1.00 0.00 C ATOM 662 CD GLN A 42 2.669 -7.382 -3.960 1.00 0.00 C ATOM 663 OE1 GLN A 42 3.312 -8.361 -4.340 1.00 0.00 O ATOM 664 NE2 GLN A 42 1.881 -6.771 -4.765 1.00 0.00 N ATOM 0 H GLN A 42 -0.775 -6.988 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 42 0.312 -7.031 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.191 -5.859 -1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.581 -7.423 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.199 -5.868 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.512 -7.502 -2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.351 -5.961 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.783 -7.095 -5.727 1.00 0.00 H new ATOM 673 N ALA A 43 0.112 -9.849 -1.905 1.00 0.00 N ATOM 674 CA ALA A 43 0.301 -11.264 -2.089 1.00 0.00 C ATOM 675 C ALA A 43 -0.141 -11.646 -3.490 1.00 0.00 C ATOM 676 O ALA A 43 0.480 -12.471 -4.161 1.00 0.00 O ATOM 677 CB ALA A 43 -0.553 -12.038 -1.142 1.00 0.00 C ATOM 0 H ALA A 43 -0.345 -9.579 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 43 1.354 -11.489 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.395 -13.105 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.288 -11.778 -0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.601 -11.797 -1.318 1.00 0.00 H new ATOM 683 N ASP A 44 -1.214 -10.984 -3.933 1.00 0.00 N ATOM 684 CA ASP A 44 -1.740 -11.192 -5.274 1.00 0.00 C ATOM 685 C ASP A 44 -0.706 -10.729 -6.294 1.00 0.00 C ATOM 686 O ASP A 44 -0.448 -11.409 -7.288 1.00 0.00 O ATOM 687 CB ASP A 44 -3.042 -10.407 -5.460 1.00 0.00 C ATOM 688 CG ASP A 44 -3.661 -10.729 -6.817 1.00 0.00 C ATOM 689 OD1 ASP A 44 -3.008 -11.396 -7.603 1.00 0.00 O ATOM 690 OD2 ASP A 44 -4.781 -10.306 -7.050 1.00 0.00 O ATOM 0 H ASP A 44 -1.731 -10.301 -3.379 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.950 -12.252 -5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.743 -10.657 -4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.844 -9.338 -5.387 1.00 0.00 H new ATOM 695 N GLY A 45 -0.097 -9.567 -6.023 1.00 0.00 N ATOM 696 CA GLY A 45 0.928 -9.029 -6.907 1.00 0.00 C ATOM 697 C GLY A 45 0.512 -7.681 -7.550 1.00 0.00 C ATOM 698 O GLY A 45 1.211 -7.150 -8.414 1.00 0.00 O ATOM 0 H GLY A 45 -0.298 -8.991 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.851 -8.890 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.140 -9.753 -7.694 1.00 0.00 H new ATOM 702 N ARG A 46 -0.584 -7.115 -7.058 1.00 0.00 N ATOM 703 CA ARG A 46 -1.087 -5.812 -7.479 1.00 0.00 C ATOM 704 C ARG A 46 0.035 -4.764 -7.493 1.00 0.00 C ATOM 705 O ARG A 46 0.219 -3.991 -8.434 1.00 0.00 O ATOM 706 CB ARG A 46 -2.141 -5.394 -6.462 1.00 0.00 C ATOM 707 CG ARG A 46 -3.228 -6.469 -6.379 1.00 0.00 C ATOM 708 CD ARG A 46 -3.947 -6.314 -5.060 1.00 0.00 C ATOM 709 NE ARG A 46 -4.941 -5.262 -5.162 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.154 -5.493 -5.686 1.00 0.00 C ATOM 711 NH1 ARG A 46 -6.479 -6.688 -6.117 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.020 -4.522 -5.783 1.00 0.00 N ATOM 0 H ARG A 46 -1.159 -7.557 -6.341 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.495 -5.880 -8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.681 -5.251 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.581 -4.439 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.928 -6.366 -7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.786 -7.463 -6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.426 -7.254 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.233 -6.077 -4.272 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.712 -4.326 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.807 -7.453 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.404 -6.853 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.775 -3.586 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.942 -4.699 -6.182 1.00 0.00 H new ATOM 726 N ILE A 47 0.715 -4.760 -6.358 1.00 0.00 N ATOM 727 CA ILE A 47 1.801 -3.819 -6.063 1.00 0.00 C ATOM 728 C ILE A 47 3.136 -4.488 -5.942 1.00 0.00 C ATOM 729 O ILE A 47 3.992 -3.987 -5.239 1.00 0.00 O ATOM 730 CB ILE A 47 1.473 -3.047 -4.776 1.00 0.00 C ATOM 731 CG1 ILE A 47 1.742 -3.865 -3.522 1.00 0.00 C ATOM 732 CG2 ILE A 47 0.011 -2.739 -4.786 1.00 0.00 C ATOM 733 CD1 ILE A 47 2.273 -2.959 -2.428 1.00 0.00 C ATOM 0 H ILE A 47 0.531 -5.417 -5.600 1.00 0.00 H new ATOM 0 HA ILE A 47 1.875 -3.131 -6.906 1.00 0.00 H new ATOM 0 HB ILE A 47 2.101 -2.156 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.826 -4.353 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.463 -4.653 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.251 -2.190 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.227 -2.133 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.556 -3.669 -4.823 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.465 -3.547 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.200 -2.491 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.536 -2.187 -2.205 1.00 0.00 H new ATOM 745 N THR A 48 3.304 -5.611 -6.633 1.00 0.00 N ATOM 746 CA THR A 48 4.543 -6.400 -6.582 1.00 0.00 C ATOM 747 C THR A 48 5.268 -6.308 -5.211 1.00 0.00 C ATOM 748 O THR A 48 4.853 -5.612 -4.296 1.00 0.00 O ATOM 749 CB THR A 48 5.453 -5.898 -7.698 1.00 0.00 C ATOM 750 OG1 THR A 48 6.515 -6.819 -7.901 1.00 0.00 O ATOM 751 CG2 THR A 48 6.020 -4.518 -7.341 1.00 0.00 C ATOM 0 H THR A 48 2.589 -6.005 -7.245 1.00 0.00 H new ATOM 0 HA THR A 48 4.292 -7.453 -6.714 1.00 0.00 H new ATOM 0 HB THR A 48 4.871 -5.811 -8.616 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.097 -6.494 -8.620 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.668 -4.171 -8.146 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.201 -3.812 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.595 -4.589 -6.418 1.00 0.00 H new ATOM 759 N GLU A 49 6.315 -7.076 -5.039 1.00 0.00 N ATOM 760 CA GLU A 49 7.004 -7.070 -3.757 1.00 0.00 C ATOM 761 C GLU A 49 7.971 -5.901 -3.624 1.00 0.00 C ATOM 762 O GLU A 49 8.425 -5.597 -2.529 1.00 0.00 O ATOM 763 CB GLU A 49 7.741 -8.401 -3.526 1.00 0.00 C ATOM 764 CG GLU A 49 8.861 -8.586 -4.565 1.00 0.00 C ATOM 765 CD GLU A 49 8.341 -9.363 -5.773 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.136 -9.415 -5.950 1.00 0.00 O ATOM 767 OE2 GLU A 49 9.159 -9.898 -6.503 1.00 0.00 O ATOM 0 H GLU A 49 6.707 -7.700 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 49 6.240 -6.949 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.163 -8.420 -2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.036 -9.230 -3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.235 -7.613 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.699 -9.118 -4.115 1.00 0.00 H new ATOM 774 N GLU A 50 8.313 -5.277 -4.737 1.00 0.00 N ATOM 775 CA GLU A 50 9.265 -4.168 -4.704 1.00 0.00 C ATOM 776 C GLU A 50 8.741 -2.950 -3.925 1.00 0.00 C ATOM 777 O GLU A 50 9.443 -2.404 -3.068 1.00 0.00 O ATOM 778 CB GLU A 50 9.597 -3.745 -6.135 1.00 0.00 C ATOM 779 CG GLU A 50 10.384 -4.860 -6.827 1.00 0.00 C ATOM 780 CD GLU A 50 11.764 -4.997 -6.192 1.00 0.00 C ATOM 781 OE1 GLU A 50 12.201 -4.048 -5.561 1.00 0.00 O ATOM 782 OE2 GLU A 50 12.363 -6.048 -6.346 1.00 0.00 O ATOM 0 H GLU A 50 7.956 -5.510 -5.664 1.00 0.00 H new ATOM 0 HA GLU A 50 10.155 -4.524 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.680 -3.537 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.180 -2.824 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.842 -5.802 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.484 -4.640 -7.890 1.00 0.00 H new ATOM 789 N GLN A 51 7.524 -2.504 -4.228 1.00 0.00 N ATOM 790 CA GLN A 51 6.988 -1.350 -3.564 1.00 0.00 C ATOM 791 C GLN A 51 6.394 -1.760 -2.258 1.00 0.00 C ATOM 792 O GLN A 51 6.316 -0.972 -1.324 1.00 0.00 O ATOM 793 CB GLN A 51 5.974 -0.630 -4.460 1.00 0.00 C ATOM 794 CG GLN A 51 4.639 -1.356 -4.445 1.00 0.00 C ATOM 795 CD GLN A 51 3.655 -0.560 -3.609 1.00 0.00 C ATOM 796 OE1 GLN A 51 3.752 -0.557 -2.387 1.00 0.00 O ATOM 797 NE2 GLN A 51 2.710 0.122 -4.191 1.00 0.00 N ATOM 0 H GLN A 51 6.908 -2.927 -4.922 1.00 0.00 H new ATOM 0 HA GLN A 51 7.789 -0.639 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.840 0.396 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.354 -0.577 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.262 -1.473 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.760 -2.358 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.631 0.118 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.049 0.660 -3.630 1.00 0.00 H new ATOM 806 N ALA A 52 6.025 -3.022 -2.152 1.00 0.00 N ATOM 807 CA ALA A 52 5.532 -3.496 -0.920 1.00 0.00 C ATOM 808 C ALA A 52 6.704 -3.595 -0.004 1.00 0.00 C ATOM 809 O ALA A 52 6.577 -3.445 1.197 1.00 0.00 O ATOM 810 CB ALA A 52 4.842 -4.807 -1.081 1.00 0.00 C ATOM 0 H ALA A 52 6.064 -3.710 -2.904 1.00 0.00 H new ATOM 0 HA ALA A 52 4.783 -2.818 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.473 -5.145 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.004 -4.695 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.543 -5.541 -1.479 1.00 0.00 H new ATOM 816 N LYS A 53 7.886 -3.777 -0.615 1.00 0.00 N ATOM 817 CA LYS A 53 9.097 -3.800 0.139 1.00 0.00 C ATOM 818 C LYS A 53 9.308 -2.427 0.672 1.00 0.00 C ATOM 819 O LYS A 53 9.872 -2.246 1.728 1.00 0.00 O ATOM 820 CB LYS A 53 10.281 -4.243 -0.691 1.00 0.00 C ATOM 821 CG LYS A 53 10.587 -5.669 -0.294 1.00 0.00 C ATOM 822 CD LYS A 53 11.645 -6.256 -1.230 1.00 0.00 C ATOM 823 CE LYS A 53 12.287 -7.478 -0.573 1.00 0.00 C ATOM 824 NZ LYS A 53 11.243 -8.509 -0.312 1.00 0.00 N ATOM 0 H LYS A 53 8.003 -3.907 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 53 9.012 -4.526 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.052 -4.179 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.142 -3.599 -0.511 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.943 -5.700 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.679 -6.270 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.190 -6.538 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.406 -5.507 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.063 -7.887 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.770 -7.190 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.699 -9.417 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.655 -8.212 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.645 -8.619 -1.156 1.00 0.00 H new ATOM 838 N ALA A 54 8.774 -1.454 -0.050 1.00 0.00 N ATOM 839 CA ALA A 54 8.828 -0.106 0.415 1.00 0.00 C ATOM 840 C ALA A 54 8.043 -0.079 1.718 1.00 0.00 C ATOM 841 O ALA A 54 8.388 0.637 2.640 1.00 0.00 O ATOM 842 CB ALA A 54 8.224 0.867 -0.600 1.00 0.00 C ATOM 0 H ALA A 54 8.307 -1.585 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 54 9.861 0.211 0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.284 1.883 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.777 0.805 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.180 0.607 -0.777 1.00 0.00 H new ATOM 848 N TYR A 55 6.960 -0.885 1.779 1.00 0.00 N ATOM 849 CA TYR A 55 6.157 -0.946 3.004 1.00 0.00 C ATOM 850 C TYR A 55 6.858 -1.784 4.062 1.00 0.00 C ATOM 851 O TYR A 55 6.877 -1.436 5.234 1.00 0.00 O ATOM 852 CB TYR A 55 4.772 -1.451 2.759 1.00 0.00 C ATOM 853 CG TYR A 55 3.995 -1.225 4.017 1.00 0.00 C ATOM 854 CD1 TYR A 55 3.600 0.071 4.336 1.00 0.00 C ATOM 855 CD2 TYR A 55 3.703 -2.284 4.879 1.00 0.00 C ATOM 856 CE1 TYR A 55 2.914 0.327 5.516 1.00 0.00 C ATOM 857 CE2 TYR A 55 3.003 -2.036 6.068 1.00 0.00 C ATOM 858 CZ TYR A 55 2.612 -0.726 6.389 1.00 0.00 C ATOM 859 OH TYR A 55 1.943 -0.471 7.566 1.00 0.00 O ATOM 0 H TYR A 55 6.635 -1.481 1.018 1.00 0.00 H new ATOM 0 HA TYR A 55 6.058 0.076 3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.312 -0.925 1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.788 -2.510 2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.829 0.883 3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.015 -3.288 4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.614 1.335 5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.765 -2.851 6.736 1.00 0.00 H new ATOM 0 HH TYR A 55 1.811 -1.310 8.056 1.00 0.00 H new ATOM 869 N LYS A 56 7.506 -2.858 3.630 1.00 0.00 N ATOM 870 CA LYS A 56 8.283 -3.668 4.544 1.00 0.00 C ATOM 871 C LYS A 56 9.506 -2.824 4.967 1.00 0.00 C ATOM 872 O LYS A 56 10.161 -3.094 5.960 1.00 0.00 O ATOM 873 CB LYS A 56 8.695 -4.970 3.869 1.00 0.00 C ATOM 874 CG LYS A 56 8.006 -6.159 4.569 1.00 0.00 C ATOM 875 CD LYS A 56 8.388 -7.462 3.860 1.00 0.00 C ATOM 876 CE LYS A 56 9.852 -7.798 4.155 1.00 0.00 C ATOM 877 NZ LYS A 56 10.196 -9.108 3.531 1.00 0.00 N ATOM 0 H LYS A 56 7.507 -3.182 2.663 1.00 0.00 H new ATOM 0 HA LYS A 56 7.705 -3.945 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.420 -4.947 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.778 -5.087 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.306 -6.201 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.924 -6.027 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.743 -8.274 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.237 -7.361 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.502 -7.015 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.017 -7.841 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.191 -9.337 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.584 -9.851 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.054 -9.050 2.502 1.00 0.00 H new ATOM 891 N GLU A 57 9.671 -1.716 4.232 1.00 0.00 N ATOM 892 CA GLU A 57 10.652 -0.715 4.548 1.00 0.00 C ATOM 893 C GLU A 57 9.942 0.275 5.453 1.00 0.00 C ATOM 894 O GLU A 57 10.513 0.830 6.337 1.00 0.00 O ATOM 895 CB GLU A 57 11.251 -0.040 3.312 1.00 0.00 C ATOM 896 CG GLU A 57 12.072 1.181 3.724 1.00 0.00 C ATOM 897 CD GLU A 57 12.671 1.846 2.489 1.00 0.00 C ATOM 898 OE1 GLU A 57 13.483 1.214 1.835 1.00 0.00 O ATOM 899 OE2 GLU A 57 12.309 2.978 2.215 1.00 0.00 O ATOM 0 H GLU A 57 9.117 -1.505 3.402 1.00 0.00 H new ATOM 0 HA GLU A 57 11.515 -1.166 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.882 -0.746 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.455 0.261 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.441 1.890 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.866 0.882 4.408 1.00 0.00 H new ATOM 906 N TYR A 58 8.642 0.461 5.234 1.00 0.00 N ATOM 907 CA TYR A 58 7.903 1.360 6.084 1.00 0.00 C ATOM 908 C TYR A 58 8.145 0.867 7.502 1.00 0.00 C ATOM 909 O TYR A 58 8.425 1.641 8.411 1.00 0.00 O ATOM 910 CB TYR A 58 6.383 1.357 5.782 1.00 0.00 C ATOM 911 CG TYR A 58 5.704 2.384 6.659 1.00 0.00 C ATOM 912 CD1 TYR A 58 5.947 3.749 6.449 1.00 0.00 C ATOM 913 CD2 TYR A 58 4.824 1.979 7.667 1.00 0.00 C ATOM 914 CE1 TYR A 58 5.315 4.705 7.250 1.00 0.00 C ATOM 915 CE2 TYR A 58 4.191 2.938 8.469 1.00 0.00 C ATOM 916 CZ TYR A 58 4.436 4.300 8.259 1.00 0.00 C ATOM 917 OH TYR A 58 3.810 5.244 9.050 1.00 0.00 O ATOM 0 H TYR A 58 8.101 0.011 4.495 1.00 0.00 H new ATOM 0 HA TYR A 58 8.236 2.385 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.208 1.585 4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.964 0.368 5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.623 4.062 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.632 0.928 7.827 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.506 5.756 7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.513 2.626 9.250 1.00 0.00 H new ATOM 0 HH TYR A 58 3.232 4.794 9.701 1.00 0.00 H new ATOM 927 N HIS A 59 8.051 -0.457 7.654 1.00 0.00 N ATOM 928 CA HIS A 59 8.275 -1.125 8.939 1.00 0.00 C ATOM 929 C HIS A 59 9.760 -1.310 9.290 1.00 0.00 C ATOM 930 O HIS A 59 10.192 -0.929 10.378 1.00 0.00 O ATOM 931 CB HIS A 59 7.596 -2.495 8.931 1.00 0.00 C ATOM 932 CG HIS A 59 7.961 -3.244 10.188 1.00 0.00 C ATOM 933 ND1 HIS A 59 7.498 -2.868 11.442 1.00 0.00 N ATOM 934 CD2 HIS A 59 8.739 -4.356 10.395 1.00 0.00 C ATOM 935 CE1 HIS A 59 7.998 -3.742 12.336 1.00 0.00 C ATOM 936 NE2 HIS A 59 8.763 -4.668 11.750 1.00 0.00 N ATOM 0 H HIS A 59 7.818 -1.094 6.892 1.00 0.00 H new ATOM 0 HA HIS A 59 7.845 -0.473 9.700 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.514 -2.376 8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.907 -3.062 8.054 1.00 0.00 H new ATOM 0 HD1 HIS A 59 6.890 -2.075 11.648 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.255 -4.906 9.622 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.804 -3.700 13.398 1.00 0.00 H new ATOM 945 N ASP A 60 10.523 -1.935 8.391 1.00 0.00 N ATOM 946 CA ASP A 60 11.927 -2.202 8.659 1.00 0.00 C ATOM 947 C ASP A 60 12.634 -0.920 8.879 1.00 0.00 C ATOM 948 O ASP A 60 13.475 -0.803 9.772 1.00 0.00 O ATOM 949 CB ASP A 60 12.585 -2.918 7.481 1.00 0.00 C ATOM 950 CG ASP A 60 12.074 -4.353 7.384 1.00 0.00 C ATOM 951 OD1 ASP A 60 11.461 -4.809 8.336 1.00 0.00 O ATOM 952 OD2 ASP A 60 12.303 -4.976 6.359 1.00 0.00 O ATOM 0 H ASP A 60 10.192 -2.260 7.483 1.00 0.00 H new ATOM 0 HA ASP A 60 11.990 -2.838 9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.370 -2.384 6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.668 -2.917 7.605 1.00 0.00 H new ATOM 957 N LYS A 61 12.303 0.055 8.071 1.00 0.00 N ATOM 958 CA LYS A 61 12.930 1.311 8.221 1.00 0.00 C ATOM 959 C LYS A 61 12.452 1.977 9.455 1.00 0.00 C ATOM 960 O LYS A 61 13.224 2.201 10.389 1.00 0.00 O ATOM 961 CB LYS A 61 12.709 2.239 7.035 1.00 0.00 C ATOM 962 CG LYS A 61 14.032 2.805 6.631 1.00 0.00 C ATOM 963 CD LYS A 61 14.555 3.743 7.722 1.00 0.00 C ATOM 964 CE LYS A 61 15.887 4.351 7.279 1.00 0.00 C ATOM 965 NZ LYS A 61 16.395 5.262 8.343 1.00 0.00 N ATOM 0 H LYS A 61 11.615 -0.009 7.321 1.00 0.00 H new ATOM 0 HA LYS A 61 14.000 1.112 8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.259 1.694 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.019 3.039 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.745 1.998 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.933 3.347 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.829 4.533 7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.686 3.195 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.613 3.561 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.756 4.900 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.301 5.676 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.705 6.022 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.535 4.725 9.222 1.00 0.00 H new ATOM 979 N ASN A 62 11.183 2.305 9.473 1.00 0.00 N ATOM 980 CA ASN A 62 10.655 2.955 10.618 1.00 0.00 C ATOM 981 C ASN A 62 9.145 3.123 10.553 1.00 0.00 C ATOM 982 O ASN A 62 8.618 4.129 10.074 1.00 0.00 O ATOM 983 CB ASN A 62 11.388 4.284 10.776 1.00 0.00 C ATOM 984 CG ASN A 62 10.545 5.272 11.563 1.00 0.00 C ATOM 985 OD1 ASN A 62 10.427 5.154 12.782 1.00 0.00 O ATOM 986 ND2 ASN A 62 9.943 6.239 10.942 1.00 0.00 N ATOM 0 H ASN A 62 10.519 2.132 8.718 1.00 0.00 H new ATOM 0 HA ASN A 62 10.821 2.337 11.500 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.338 4.123 11.285 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.619 4.697 9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.371 6.903 11.464 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.042 6.336 9.931 1.00 0.00 H new ATOM 993 N GLY A 63 8.462 2.105 11.053 1.00 0.00 N ATOM 994 CA GLY A 63 6.990 2.099 11.085 1.00 0.00 C ATOM 995 C GLY A 63 6.448 0.671 11.144 1.00 0.00 C ATOM 996 O GLY A 63 7.054 -0.209 11.760 1.00 0.00 O ATOM 0 H GLY A 63 8.894 1.268 11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.639 2.661 11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.602 2.603 10.200 1.00 0.00 H new ATOM 1000 N GLY A 64 5.319 0.445 10.475 1.00 0.00 N ATOM 1001 CA GLY A 64 4.714 -0.888 10.412 1.00 0.00 C ATOM 1002 C GLY A 64 3.660 -1.108 11.489 1.00 0.00 C ATOM 1003 O GLY A 64 3.778 -0.602 12.606 1.00 0.00 O ATOM 0 H GLY A 64 4.804 1.165 9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.260 -1.030 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.495 -1.642 10.514 1.00 0.00 H new ATOM 1007 N ALA A 65 2.637 -1.894 11.126 1.00 0.00 N ATOM 1008 CA ALA A 65 1.543 -2.231 12.036 1.00 0.00 C ATOM 1009 C ALA A 65 0.383 -2.850 11.255 1.00 0.00 C ATOM 1010 O ALA A 65 -0.074 -2.267 10.273 1.00 0.00 O ATOM 1011 CB ALA A 65 1.043 -0.977 12.762 1.00 0.00 C ATOM 0 H ALA A 65 2.548 -2.310 10.199 1.00 0.00 H new ATOM 0 HA ALA A 65 1.917 -2.946 12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.229 -1.246 13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.859 -0.540 13.337 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.685 -0.252 12.031 1.00 0.00 H new ATOM 1017 N ASN A 66 -0.102 -4.021 11.715 1.00 0.00 N ATOM 1018 CA ASN A 66 -1.241 -4.712 11.064 1.00 0.00 C ATOM 1019 C ASN A 66 -1.150 -4.610 9.555 1.00 0.00 C ATOM 1020 O ASN A 66 -0.073 -4.368 9.008 1.00 0.00 O ATOM 1021 CB ASN A 66 -2.589 -4.097 11.573 1.00 0.00 C ATOM 1022 CG ASN A 66 -2.406 -2.624 11.939 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -2.134 -2.304 13.096 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -2.521 -1.697 11.010 1.00 0.00 N ATOM 0 H ASN A 66 0.272 -4.508 12.529 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.204 -5.769 11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.353 -4.193 10.801 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.942 -4.652 12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.385 -0.715 11.250 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.746 -1.961 10.051 1.00 0.00 H new ATOM 1031 N ARG A 67 -2.292 -4.809 8.900 1.00 0.00 N ATOM 1032 CA ARG A 67 -2.395 -4.745 7.481 1.00 0.00 C ATOM 1033 C ARG A 67 -1.424 -3.759 6.916 1.00 0.00 C ATOM 1034 O ARG A 67 -0.450 -4.127 6.259 1.00 0.00 O ATOM 1035 CB ARG A 67 -3.821 -4.285 7.093 1.00 0.00 C ATOM 1036 CG ARG A 67 -4.398 -3.333 8.172 1.00 0.00 C ATOM 1037 CD ARG A 67 -5.107 -2.105 7.576 1.00 0.00 C ATOM 1038 NE ARG A 67 -6.428 -1.953 8.184 1.00 0.00 N ATOM 1039 CZ ARG A 67 -6.571 -1.478 9.427 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -5.524 -1.133 10.134 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -7.762 -1.361 9.941 1.00 0.00 N ATOM 0 H ARG A 67 -3.174 -5.021 9.366 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.178 -5.736 7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.796 -3.778 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.471 -5.153 6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.102 -3.884 8.796 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.590 -2.998 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.511 -1.209 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.204 -2.218 6.496 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.257 -2.214 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.588 -1.225 9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.644 -0.772 11.080 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.581 -1.631 9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.876 -0.999 10.888 1.00 0.00 H new ATOM 1055 N LYS A 68 -1.744 -2.493 7.150 1.00 0.00 N ATOM 1056 CA LYS A 68 -0.998 -1.395 6.658 1.00 0.00 C ATOM 1057 C LYS A 68 -1.864 -0.175 6.811 1.00 0.00 C ATOM 1058 O LYS A 68 -1.469 0.829 7.405 1.00 0.00 O ATOM 1059 CB LYS A 68 -0.689 -1.613 5.185 1.00 0.00 C ATOM 1060 CG LYS A 68 -1.897 -2.254 4.446 1.00 0.00 C ATOM 1061 CD LYS A 68 -2.526 -1.263 3.534 1.00 0.00 C ATOM 1062 CE LYS A 68 -1.655 -1.118 2.315 1.00 0.00 C ATOM 1063 NZ LYS A 68 -1.622 0.290 1.899 1.00 0.00 N ATOM 0 H LYS A 68 -2.555 -2.219 7.704 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.059 -1.283 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.438 -0.660 4.719 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.185 -2.257 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.565 -3.123 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.630 -2.608 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.526 -1.591 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.637 -0.302 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.646 -1.467 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.039 -1.738 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.609 0.345 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.466 0.779 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.768 0.745 2.281 1.00 0.00 H new ATOM 1077 N VAL A 69 -3.079 -0.302 6.286 1.00 0.00 N ATOM 1078 CA VAL A 69 -4.071 0.730 6.353 1.00 0.00 C ATOM 1079 C VAL A 69 -5.188 0.398 5.418 1.00 0.00 C ATOM 1080 O VAL A 69 -5.013 0.454 4.200 1.00 0.00 O ATOM 1081 CB VAL A 69 -3.545 2.112 5.990 1.00 0.00 C ATOM 1082 CG1 VAL A 69 -2.561 2.030 4.823 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -4.746 2.963 5.557 1.00 0.00 C ATOM 0 H VAL A 69 -3.392 -1.142 5.799 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.401 0.770 7.391 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.030 2.544 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.199 3.029 4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.719 1.396 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.063 1.606 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.405 3.963 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.228 2.501 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.459 3.031 6.379 1.00 0.00 H new ATOM 1093 N ASN A 70 -6.331 0.044 5.982 1.00 0.00 N ATOM 1094 CA ASN A 70 -7.471 -0.319 5.174 1.00 0.00 C ATOM 1095 C ASN A 70 -8.588 -0.830 6.064 1.00 0.00 C ATOM 1096 O ASN A 70 -8.630 -0.458 7.234 1.00 0.00 O ATOM 1097 CB ASN A 70 -7.011 -1.373 4.157 1.00 0.00 C ATOM 1098 CG ASN A 70 -6.943 -0.821 2.786 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -7.268 0.336 2.565 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -6.524 -1.600 1.837 1.00 0.00 N ATOM 0 H ASN A 70 -6.488 0.002 6.989 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.865 0.542 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.031 -1.752 4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.698 -2.219 4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.460 -1.250 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.258 -2.562 2.047 1.00 0.00 H new ATOM 1107 N ASP A 71 -9.503 -1.654 5.501 1.00 0.00 N ATOM 1108 CA ASP A 71 -10.629 -2.189 6.260 1.00 0.00 C ATOM 1109 C ASP A 71 -11.747 -1.156 6.361 1.00 0.00 C ATOM 1110 O ASP A 71 -11.455 0.020 6.217 1.00 0.00 O ATOM 1111 CB ASP A 71 -10.173 -2.583 7.654 1.00 0.00 C ATOM 1112 CG ASP A 71 -11.188 -3.517 8.302 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -12.109 -3.927 7.614 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -11.031 -3.808 9.476 1.00 0.00 O ATOM 1115 OXT ASP A 71 -12.878 -1.555 6.582 1.00 0.00 O ATOM 0 H ASP A 71 -9.473 -1.955 4.527 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.009 -3.068 5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.201 -3.073 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.047 -1.691 8.268 1.00 0.00 H new TER 1120 ASP A 71