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 56 LYS NZ :NH3+ 160:sc= -0.0618 (180deg=-0.724) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.208 K(o=-0.27,f=-2.2!) USER MOD Set 2.1: A 55 TYR OH : rot 155:sc= 1.02 USER MOD Set 2.2: A 59 HIS : no HE2:sc= 0.0499 K(o=1.1,f=-3.6!) USER MOD Set 3.1: A 29 SER OG : rot 13:sc= -1.34! USER MOD Set 3.2: A 70 ASN : amide:sc= -1.7 K(o=-3,f=-8.4!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0464) USER MOD Set 4.2: A 23 SER OG : rot 93:sc= 1.19 USER MOD Set 5.1: A 1 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.6!) USER MOD Set 5.2: A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -70:sc= 0.949 USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= -0.0433 (180deg=-0.506) USER MOD Single : A 5 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 10 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.6!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.07! C(o=-4.1!,f=-4.5!) USER MOD Single : A 28 TYR OH : rot 30:sc= 0.103 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.032) USER MOD Single : A 37 SER OG : rot -160:sc= -1.41 USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.0261 (180deg=-0.367) USER MOD Single : A 42 GLN : amide:sc= -6.73! C(o=-6.7!,f=-5.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 51 GLN : amide:sc= -7.13! C(o=-7.1!,f=-14!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.326 K(o=0.33,f=-3!) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.615 (180deg=-0.287) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 15.516 13.623 -11.179 1.00 0.00 N ATOM 2 CA ASN A 1 14.715 14.335 -10.143 1.00 0.00 C ATOM 3 C ASN A 1 15.093 15.812 -10.137 1.00 0.00 C ATOM 4 O ASN A 1 16.250 16.168 -9.914 1.00 0.00 O ATOM 5 CB ASN A 1 14.996 13.718 -8.772 1.00 0.00 C ATOM 6 CG ASN A 1 13.860 14.049 -7.809 1.00 0.00 C ATOM 7 OD1 ASN A 1 12.700 14.112 -8.216 1.00 0.00 O ATOM 8 ND2 ASN A 1 14.126 14.265 -6.549 1.00 0.00 N ATOM 0 H1 ASN A 1 15.259 12.615 -11.184 1.00 0.00 H new ATOM 0 H2 ASN A 1 15.320 14.035 -12.113 1.00 0.00 H new ATOM 0 H3 ASN A 1 16.529 13.721 -10.963 1.00 0.00 H new ATOM 0 HA ASN A 1 13.653 14.239 -10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 1 15.102 12.637 -8.865 1.00 0.00 H new ATOM 0 HB3 ASN A 1 15.939 14.098 -8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 1 13.372 14.487 -5.899 1.00 0.00 H new ATOM 0 HD22 ASN A 1 15.088 14.212 -6.215 1.00 0.00 H new ATOM 17 N LEU A 2 14.106 16.667 -10.383 1.00 0.00 N ATOM 18 CA LEU A 2 14.340 18.108 -10.404 1.00 0.00 C ATOM 19 C LEU A 2 14.099 18.728 -9.019 1.00 0.00 C ATOM 20 O LEU A 2 14.238 19.935 -8.850 1.00 0.00 O ATOM 21 CB LEU A 2 13.417 18.771 -11.434 1.00 0.00 C ATOM 22 CG LEU A 2 13.701 18.207 -12.835 1.00 0.00 C ATOM 23 CD1 LEU A 2 12.706 18.804 -13.834 1.00 0.00 C ATOM 24 CD2 LEU A 2 15.128 18.574 -13.262 1.00 0.00 C ATOM 0 H LEU A 2 13.142 16.391 -10.570 1.00 0.00 H new ATOM 0 HA LEU A 2 15.380 18.279 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.375 18.595 -11.167 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.570 19.850 -11.430 1.00 0.00 H new ATOM 0 HG LEU A 2 13.597 17.122 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.906 18.405 -14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.690 18.544 -13.536 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.813 19.889 -13.850 1.00 0.00 H new ATOM 0 HD21 LEU A 2 15.325 18.172 -14.256 1.00 0.00 H new ATOM 0 HD22 LEU A 2 15.234 19.659 -13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 2 15.840 18.152 -12.552 1.00 0.00 H new ATOM 36 N THR A 3 13.737 17.885 -8.036 1.00 0.00 N ATOM 37 CA THR A 3 13.470 18.333 -6.652 1.00 0.00 C ATOM 38 C THR A 3 12.127 19.064 -6.543 1.00 0.00 C ATOM 39 O THR A 3 11.333 18.776 -5.648 1.00 0.00 O ATOM 40 CB THR A 3 14.600 19.239 -6.114 1.00 0.00 C ATOM 41 OG1 THR A 3 14.352 20.595 -6.489 1.00 0.00 O ATOM 42 CG2 THR A 3 15.965 18.776 -6.652 1.00 0.00 C ATOM 0 H THR A 3 13.621 16.881 -8.174 1.00 0.00 H new ATOM 0 HA THR A 3 13.428 17.432 -6.040 1.00 0.00 H new ATOM 0 HB THR A 3 14.620 19.169 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 3 14.475 20.695 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 3 16.749 19.426 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 3 16.153 17.750 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 3 15.962 18.823 -7.741 1.00 0.00 H new ATOM 50 N LYS A 4 11.873 19.998 -7.453 1.00 0.00 N ATOM 51 CA LYS A 4 10.616 20.741 -7.437 1.00 0.00 C ATOM 52 C LYS A 4 10.406 21.444 -6.096 1.00 0.00 C ATOM 53 O LYS A 4 9.308 21.421 -5.543 1.00 0.00 O ATOM 54 CB LYS A 4 9.448 19.791 -7.702 1.00 0.00 C ATOM 55 CG LYS A 4 9.604 19.165 -9.089 1.00 0.00 C ATOM 56 CD LYS A 4 8.432 18.219 -9.355 1.00 0.00 C ATOM 57 CE LYS A 4 8.616 17.551 -10.719 1.00 0.00 C ATOM 58 NZ LYS A 4 8.604 18.589 -11.788 1.00 0.00 N ATOM 0 H LYS A 4 12.513 20.258 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 4 10.662 21.498 -8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.419 19.011 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.504 20.332 -7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.636 19.945 -9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.546 18.620 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.376 17.463 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.492 18.771 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.557 17.001 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.819 16.827 -10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.406 18.141 -12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.867 19.293 -11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.531 19.059 -11.826 1.00 0.00 H new ATOM 72 N GLN A 5 11.458 22.074 -5.581 1.00 0.00 N ATOM 73 CA GLN A 5 11.360 22.787 -4.309 1.00 0.00 C ATOM 74 C GLN A 5 10.850 21.863 -3.208 1.00 0.00 C ATOM 75 O GLN A 5 9.890 22.188 -2.508 1.00 0.00 O ATOM 76 CB GLN A 5 10.414 23.978 -4.453 1.00 0.00 C ATOM 77 CG GLN A 5 10.934 24.913 -5.544 1.00 0.00 C ATOM 78 CD GLN A 5 12.335 25.396 -5.193 1.00 0.00 C ATOM 79 OE1 GLN A 5 12.540 25.997 -4.139 1.00 0.00 O ATOM 80 NE2 GLN A 5 13.319 25.165 -6.017 1.00 0.00 N ATOM 0 H GLN A 5 12.379 22.106 -6.018 1.00 0.00 H new ATOM 0 HA GLN A 5 12.355 23.140 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.411 23.631 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.339 24.513 -3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.949 24.394 -6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.264 25.765 -5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.147 24.667 -6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.261 25.483 -5.788 1.00 0.00 H new ATOM 89 N LYS A 6 11.492 20.711 -3.064 1.00 0.00 N ATOM 90 CA LYS A 6 11.089 19.739 -2.049 1.00 0.00 C ATOM 91 C LYS A 6 11.658 20.092 -0.668 1.00 0.00 C ATOM 92 O LYS A 6 12.128 19.216 0.057 1.00 0.00 O ATOM 93 CB LYS A 6 11.555 18.337 -2.457 1.00 0.00 C ATOM 94 CG LYS A 6 13.084 18.302 -2.564 1.00 0.00 C ATOM 95 CD LYS A 6 13.531 16.901 -2.983 1.00 0.00 C ATOM 96 CE LYS A 6 15.056 16.860 -3.090 1.00 0.00 C ATOM 97 NZ LYS A 6 15.489 15.493 -3.491 1.00 0.00 N ATOM 0 H LYS A 6 12.290 20.425 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 6 10.001 19.762 -1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.217 17.605 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.109 18.060 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.426 19.038 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.533 18.568 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.187 16.166 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.082 16.636 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.400 17.591 -3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.506 17.130 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.527 15.436 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.088 14.795 -2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.155 15.292 -4.455 1.00 0.00 H new ATOM 111 N GLU A 7 11.598 21.372 -0.299 1.00 0.00 N ATOM 112 CA GLU A 7 12.103 21.799 1.007 1.00 0.00 C ATOM 113 C GLU A 7 11.337 21.092 2.117 1.00 0.00 C ATOM 114 O GLU A 7 11.926 20.631 3.096 1.00 0.00 O ATOM 115 CB GLU A 7 11.951 23.319 1.165 1.00 0.00 C ATOM 116 CG GLU A 7 12.519 23.757 2.524 1.00 0.00 C ATOM 117 CD GLU A 7 12.398 25.274 2.681 1.00 0.00 C ATOM 118 OE1 GLU A 7 11.906 25.907 1.761 1.00 0.00 O ATOM 119 OE2 GLU A 7 12.798 25.782 3.724 1.00 0.00 O ATOM 0 H GLU A 7 11.212 22.120 -0.875 1.00 0.00 H new ATOM 0 HA GLU A 7 13.159 21.538 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.474 23.832 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.900 23.599 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.982 23.256 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.564 23.458 2.603 1.00 0.00 H new ATOM 126 N ALA A 8 10.020 21.003 1.956 1.00 0.00 N ATOM 127 CA ALA A 8 9.181 20.342 2.950 1.00 0.00 C ATOM 128 C ALA A 8 7.768 20.122 2.410 1.00 0.00 C ATOM 129 O ALA A 8 7.099 19.156 2.776 1.00 0.00 O ATOM 130 CB ALA A 8 9.113 21.191 4.222 1.00 0.00 C ATOM 0 H ALA A 8 9.514 21.377 1.153 1.00 0.00 H new ATOM 0 HA ALA A 8 9.623 19.372 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.485 20.691 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.117 21.320 4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.689 22.167 3.986 1.00 0.00 H new ATOM 136 N VAL A 9 7.320 21.028 1.546 1.00 0.00 N ATOM 137 CA VAL A 9 5.980 20.928 0.971 1.00 0.00 C ATOM 138 C VAL A 9 5.819 19.645 0.156 1.00 0.00 C ATOM 139 O VAL A 9 4.818 18.942 0.287 1.00 0.00 O ATOM 140 CB VAL A 9 5.712 22.135 0.076 1.00 0.00 C ATOM 141 CG1 VAL A 9 4.411 21.918 -0.699 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.587 23.392 0.940 1.00 0.00 C ATOM 0 H VAL A 9 7.859 21.834 1.230 1.00 0.00 H new ATOM 0 HA VAL A 9 5.262 20.906 1.791 1.00 0.00 H new ATOM 0 HB VAL A 9 6.537 22.256 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.220 22.780 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.499 21.023 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.586 21.796 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.396 24.255 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.762 23.270 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.514 23.548 1.492 1.00 0.00 H new ATOM 152 N ASN A 10 6.802 19.350 -0.690 1.00 0.00 N ATOM 153 CA ASN A 10 6.740 18.150 -1.521 1.00 0.00 C ATOM 154 C ASN A 10 7.795 17.136 -1.095 1.00 0.00 C ATOM 155 O ASN A 10 8.989 17.435 -1.087 1.00 0.00 O ATOM 156 CB ASN A 10 6.953 18.522 -2.990 1.00 0.00 C ATOM 157 CG ASN A 10 5.750 19.303 -3.508 1.00 0.00 C ATOM 158 OD1 ASN A 10 4.664 19.227 -2.934 1.00 0.00 O ATOM 159 ND2 ASN A 10 5.879 20.053 -4.569 1.00 0.00 N ATOM 0 H ASN A 10 7.641 19.916 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 10 5.755 17.700 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.858 19.120 -3.095 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.096 17.620 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.079 20.577 -4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.780 20.115 -5.043 1.00 0.00 H new ATOM 166 N ASP A 11 7.344 15.935 -0.746 1.00 0.00 N ATOM 167 CA ASP A 11 8.259 14.880 -0.327 1.00 0.00 C ATOM 168 C ASP A 11 8.138 13.661 -1.241 1.00 0.00 C ATOM 169 O ASP A 11 7.035 13.257 -1.610 1.00 0.00 O ATOM 170 CB ASP A 11 7.954 14.471 1.116 1.00 0.00 C ATOM 171 CG ASP A 11 8.374 15.583 2.071 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.088 16.473 1.637 1.00 0.00 O ATOM 173 OD2 ASP A 11 7.975 15.531 3.224 1.00 0.00 O ATOM 0 H ASP A 11 6.359 15.670 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 11 9.277 15.263 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.889 14.267 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.483 13.550 1.362 1.00 0.00 H new ATOM 178 N LYS A 12 9.277 13.074 -1.589 1.00 0.00 N ATOM 179 CA LYS A 12 9.292 11.892 -2.448 1.00 0.00 C ATOM 180 C LYS A 12 10.267 10.855 -1.903 1.00 0.00 C ATOM 181 O LYS A 12 11.382 11.185 -1.497 1.00 0.00 O ATOM 182 CB LYS A 12 9.668 12.274 -3.876 1.00 0.00 C ATOM 183 CG LYS A 12 9.676 11.022 -4.756 1.00 0.00 C ATOM 184 CD LYS A 12 10.031 11.409 -6.193 1.00 0.00 C ATOM 185 CE LYS A 12 10.046 10.156 -7.070 1.00 0.00 C ATOM 186 NZ LYS A 12 10.382 10.535 -8.471 1.00 0.00 N ATOM 0 H LYS A 12 10.199 13.394 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 12 8.292 11.459 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.957 13.002 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.650 12.747 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.398 10.301 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.699 10.540 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.306 12.126 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.006 11.896 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.776 9.442 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.073 9.665 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.392 9.683 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.669 11.201 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.319 10.985 -8.494 1.00 0.00 H new ATOM 200 N GLY A 13 9.823 9.607 -1.864 1.00 0.00 N ATOM 201 CA GLY A 13 10.637 8.523 -1.332 1.00 0.00 C ATOM 202 C GLY A 13 9.899 7.895 -0.171 1.00 0.00 C ATOM 203 O GLY A 13 8.966 7.123 -0.365 1.00 0.00 O ATOM 0 H GLY A 13 8.902 9.319 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.830 7.779 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.605 8.902 -1.005 1.00 0.00 H new ATOM 207 N LYS A 14 10.271 8.277 1.040 1.00 0.00 N ATOM 208 CA LYS A 14 9.570 7.777 2.203 1.00 0.00 C ATOM 209 C LYS A 14 8.145 8.272 2.100 1.00 0.00 C ATOM 210 O LYS A 14 7.201 7.592 2.471 1.00 0.00 O ATOM 211 CB LYS A 14 10.223 8.281 3.493 1.00 0.00 C ATOM 212 CG LYS A 14 11.662 7.756 3.586 1.00 0.00 C ATOM 213 CD LYS A 14 11.656 6.230 3.737 1.00 0.00 C ATOM 214 CE LYS A 14 13.094 5.732 3.906 1.00 0.00 C ATOM 215 NZ LYS A 14 13.092 4.249 4.045 1.00 0.00 N ATOM 0 H LYS A 14 11.039 8.919 1.238 1.00 0.00 H new ATOM 0 HA LYS A 14 9.604 6.688 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.222 9.371 3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.648 7.948 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.219 8.039 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.170 8.212 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.055 5.941 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.200 5.768 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.696 6.027 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.548 6.190 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.068 3.910 4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.531 3.979 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.675 3.821 3.194 1.00 0.00 H new ATOM 229 N ALA A 15 8.019 9.438 1.502 1.00 0.00 N ATOM 230 CA ALA A 15 6.731 10.017 1.225 1.00 0.00 C ATOM 231 C ALA A 15 6.192 9.276 -0.014 1.00 0.00 C ATOM 232 O ALA A 15 6.236 8.054 -0.029 1.00 0.00 O ATOM 233 CB ALA A 15 6.915 11.508 0.964 1.00 0.00 C ATOM 0 H ALA A 15 8.809 10.007 1.196 1.00 0.00 H new ATOM 0 HA ALA A 15 6.028 9.917 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.947 11.962 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.353 11.980 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.577 11.649 0.109 1.00 0.00 H new ATOM 239 N ALA A 16 5.712 10.026 -1.034 1.00 0.00 N ATOM 240 CA ALA A 16 5.191 9.479 -2.302 1.00 0.00 C ATOM 241 C ALA A 16 5.053 7.957 -2.356 1.00 0.00 C ATOM 242 O ALA A 16 3.950 7.463 -2.508 1.00 0.00 O ATOM 243 CB ALA A 16 6.107 9.921 -3.444 1.00 0.00 C ATOM 0 H ALA A 16 5.677 11.045 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 16 4.179 9.873 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.732 9.522 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.128 11.010 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.115 9.546 -3.268 1.00 0.00 H new ATOM 249 N VAL A 17 6.162 7.214 -2.297 1.00 0.00 N ATOM 250 CA VAL A 17 6.039 5.764 -2.419 1.00 0.00 C ATOM 251 C VAL A 17 5.138 5.197 -1.329 1.00 0.00 C ATOM 252 O VAL A 17 4.195 4.465 -1.622 1.00 0.00 O ATOM 253 CB VAL A 17 7.390 5.092 -2.319 1.00 0.00 C ATOM 254 CG1 VAL A 17 7.168 3.586 -2.235 1.00 0.00 C ATOM 255 CG2 VAL A 17 8.220 5.429 -3.553 1.00 0.00 C ATOM 0 H VAL A 17 7.109 7.571 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 17 5.602 5.564 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 17 7.924 5.440 -1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.131 3.080 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.569 3.355 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.645 3.245 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.194 4.944 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.704 5.075 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.356 6.509 -3.616 1.00 0.00 H new ATOM 265 N VAL A 18 5.405 5.536 -0.078 1.00 0.00 N ATOM 266 CA VAL A 18 4.573 5.045 1.009 1.00 0.00 C ATOM 267 C VAL A 18 3.175 5.549 0.815 1.00 0.00 C ATOM 268 O VAL A 18 2.190 4.846 1.029 1.00 0.00 O ATOM 269 CB VAL A 18 5.084 5.572 2.338 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.072 5.243 3.423 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.417 4.922 2.669 1.00 0.00 C ATOM 0 H VAL A 18 6.177 6.138 0.207 1.00 0.00 H new ATOM 0 HA VAL A 18 4.599 3.955 1.011 1.00 0.00 H new ATOM 0 HB VAL A 18 5.220 6.652 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.431 5.618 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.117 5.712 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.941 4.163 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.780 5.303 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.289 3.842 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.139 5.155 1.887 1.00 0.00 H new ATOM 281 N LYS A 19 3.122 6.788 0.415 1.00 0.00 N ATOM 282 CA LYS A 19 1.879 7.454 0.182 1.00 0.00 C ATOM 283 C LYS A 19 1.029 6.702 -0.857 1.00 0.00 C ATOM 284 O LYS A 19 -0.171 6.572 -0.671 1.00 0.00 O ATOM 285 CB LYS A 19 2.162 8.891 -0.260 1.00 0.00 C ATOM 286 CG LYS A 19 0.899 9.515 -0.824 1.00 0.00 C ATOM 287 CD LYS A 19 0.933 9.325 -2.327 1.00 0.00 C ATOM 288 CE LYS A 19 -0.476 9.038 -2.848 1.00 0.00 C ATOM 289 NZ LYS A 19 -1.342 10.230 -2.620 1.00 0.00 N ATOM 0 H LYS A 19 3.946 7.364 0.242 1.00 0.00 H new ATOM 0 HA LYS A 19 1.300 7.472 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.521 9.477 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.950 8.901 -1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.014 9.043 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.848 10.574 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.332 10.219 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.600 8.501 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.441 8.799 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.894 8.169 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.251 10.097 -3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.509 10.348 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.871 11.078 -2.994 1.00 0.00 H new ATOM 303 N VAL A 20 1.639 6.212 -1.947 1.00 0.00 N ATOM 304 CA VAL A 20 0.858 5.494 -2.961 1.00 0.00 C ATOM 305 C VAL A 20 0.523 4.093 -2.510 1.00 0.00 C ATOM 306 O VAL A 20 -0.557 3.589 -2.800 1.00 0.00 O ATOM 307 CB VAL A 20 1.576 5.433 -4.312 1.00 0.00 C ATOM 308 CG1 VAL A 20 1.672 6.838 -4.890 1.00 0.00 C ATOM 309 CG2 VAL A 20 2.974 4.843 -4.143 1.00 0.00 C ATOM 0 H VAL A 20 2.636 6.296 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.064 6.061 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 20 1.011 4.795 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.182 6.801 -5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.670 7.245 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.232 7.475 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.473 4.806 -5.112 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.552 5.467 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.897 3.835 -3.736 1.00 0.00 H new ATOM 319 N VAL A 21 1.434 3.460 -1.800 1.00 0.00 N ATOM 320 CA VAL A 21 1.171 2.122 -1.327 1.00 0.00 C ATOM 321 C VAL A 21 -0.020 2.162 -0.384 1.00 0.00 C ATOM 322 O VAL A 21 -0.947 1.357 -0.495 1.00 0.00 O ATOM 323 CB VAL A 21 2.405 1.561 -0.617 1.00 0.00 C ATOM 324 CG1 VAL A 21 2.053 0.235 0.060 1.00 0.00 C ATOM 325 CG2 VAL A 21 3.514 1.328 -1.643 1.00 0.00 C ATOM 0 H VAL A 21 2.344 3.842 -1.543 1.00 0.00 H new ATOM 0 HA VAL A 21 0.943 1.469 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 21 2.744 2.271 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.934 -0.161 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.260 0.398 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.714 -0.478 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.395 0.928 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.171 0.617 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.768 2.272 -2.125 1.00 0.00 H new ATOM 335 N GLU A 22 0.009 3.120 0.535 1.00 0.00 N ATOM 336 CA GLU A 22 -1.080 3.288 1.497 1.00 0.00 C ATOM 337 C GLU A 22 -2.307 3.810 0.818 1.00 0.00 C ATOM 338 O GLU A 22 -3.406 3.455 1.181 1.00 0.00 O ATOM 339 CB GLU A 22 -0.692 4.265 2.602 1.00 0.00 C ATOM 340 CG GLU A 22 0.401 3.661 3.464 1.00 0.00 C ATOM 341 CD GLU A 22 0.612 4.525 4.705 1.00 0.00 C ATOM 342 OE1 GLU A 22 -0.341 4.698 5.448 1.00 0.00 O ATOM 343 OE2 GLU A 22 1.714 5.001 4.896 1.00 0.00 O ATOM 0 H GLU A 22 0.770 3.791 0.636 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.280 2.308 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.347 5.203 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.563 4.499 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.128 2.647 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.329 3.590 2.896 1.00 0.00 H new ATOM 350 N SER A 23 -2.125 4.721 -0.119 1.00 0.00 N ATOM 351 CA SER A 23 -3.255 5.328 -0.779 1.00 0.00 C ATOM 352 C SER A 23 -3.934 4.395 -1.792 1.00 0.00 C ATOM 353 O SER A 23 -5.131 4.546 -2.066 1.00 0.00 O ATOM 354 CB SER A 23 -2.835 6.614 -1.486 1.00 0.00 C ATOM 355 OG SER A 23 -2.455 7.581 -0.516 1.00 0.00 O ATOM 0 H SER A 23 -1.213 5.052 -0.435 1.00 0.00 H new ATOM 0 HA SER A 23 -3.981 5.547 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.004 6.416 -2.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.657 6.994 -2.093 1.00 0.00 H new ATOM 0 HG SER A 23 -1.489 7.527 -0.362 1.00 0.00 H new ATOM 361 N GLN A 24 -3.215 3.387 -2.295 1.00 0.00 N ATOM 362 CA GLN A 24 -3.817 2.421 -3.206 1.00 0.00 C ATOM 363 C GLN A 24 -4.597 1.394 -2.411 1.00 0.00 C ATOM 364 O GLN A 24 -5.718 1.016 -2.738 1.00 0.00 O ATOM 365 CB GLN A 24 -2.730 1.718 -4.028 1.00 0.00 C ATOM 366 CG GLN A 24 -3.350 0.542 -4.784 1.00 0.00 C ATOM 367 CD GLN A 24 -2.368 -0.018 -5.803 1.00 0.00 C ATOM 368 OE1 GLN A 24 -1.177 0.291 -5.756 1.00 0.00 O ATOM 369 NE2 GLN A 24 -2.807 -0.824 -6.736 1.00 0.00 N ATOM 0 H GLN A 24 -2.230 3.223 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.489 2.946 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.278 2.419 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.934 1.365 -3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.637 -0.239 -4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.260 0.866 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.795 -1.076 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.161 -1.200 -7.430 1.00 0.00 H new ATOM 378 N ALA A 25 -3.954 0.998 -1.336 1.00 0.00 N ATOM 379 CA ALA A 25 -4.511 0.047 -0.402 1.00 0.00 C ATOM 380 C ALA A 25 -5.647 0.690 0.373 1.00 0.00 C ATOM 381 O ALA A 25 -6.651 0.071 0.681 1.00 0.00 O ATOM 382 CB ALA A 25 -3.440 -0.440 0.513 1.00 0.00 C ATOM 0 H ALA A 25 -3.023 1.329 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.914 -0.809 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.861 -1.157 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.655 -0.922 -0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.019 0.403 1.062 1.00 0.00 H new ATOM 388 N GLU A 26 -5.455 1.942 0.690 1.00 0.00 N ATOM 389 CA GLU A 26 -6.462 2.678 1.419 1.00 0.00 C ATOM 390 C GLU A 26 -7.759 2.486 0.695 1.00 0.00 C ATOM 391 O GLU A 26 -8.760 2.122 1.294 1.00 0.00 O ATOM 392 CB GLU A 26 -6.125 4.157 1.476 1.00 0.00 C ATOM 393 CG GLU A 26 -7.431 4.959 1.463 1.00 0.00 C ATOM 394 CD GLU A 26 -7.151 6.425 1.772 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.103 6.905 1.371 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.987 7.046 2.407 1.00 0.00 O ATOM 0 H GLU A 26 -4.617 2.475 0.458 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.519 2.315 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.554 4.380 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.502 4.436 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.911 4.870 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.124 4.551 2.198 1.00 0.00 H new ATOM 403 N LEU A 27 -7.745 2.679 -0.617 1.00 0.00 N ATOM 404 CA LEU A 27 -8.958 2.439 -1.344 1.00 0.00 C ATOM 405 C LEU A 27 -9.288 1.032 -1.263 1.00 0.00 C ATOM 406 O LEU A 27 -10.421 0.702 -1.233 1.00 0.00 O ATOM 407 CB LEU A 27 -8.936 2.739 -2.789 1.00 0.00 C ATOM 408 CG LEU A 27 -9.189 4.228 -3.087 1.00 0.00 C ATOM 409 CD1 LEU A 27 -8.572 5.112 -2.006 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.557 4.576 -4.436 1.00 0.00 C ATOM 0 H LEU A 27 -6.943 2.986 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.671 3.117 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.970 2.448 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.692 2.137 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.264 4.404 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.764 6.159 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.014 4.868 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.496 4.941 -1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.730 5.629 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.485 4.385 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.006 3.962 -5.217 1.00 0.00 H new ATOM 422 N TYR A 28 -8.312 0.173 -1.261 1.00 0.00 N ATOM 423 CA TYR A 28 -8.652 -1.192 -1.201 1.00 0.00 C ATOM 424 C TYR A 28 -9.647 -1.373 -0.045 1.00 0.00 C ATOM 425 O TYR A 28 -10.715 -1.899 -0.213 1.00 0.00 O ATOM 426 CB TYR A 28 -7.436 -2.067 -1.036 1.00 0.00 C ATOM 427 CG TYR A 28 -6.984 -2.541 -2.399 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.782 -1.623 -3.435 1.00 0.00 C ATOM 429 CD2 TYR A 28 -6.767 -3.898 -2.625 1.00 0.00 C ATOM 430 CE1 TYR A 28 -6.362 -2.066 -4.695 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.348 -4.343 -3.883 1.00 0.00 C ATOM 432 CZ TYR A 28 -6.145 -3.427 -4.918 1.00 0.00 C ATOM 433 OH TYR A 28 -5.731 -3.867 -6.160 1.00 0.00 O ATOM 0 H TYR A 28 -7.317 0.392 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.111 -1.503 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.636 -1.512 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.669 -2.920 -0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.950 -0.570 -3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.923 -4.609 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.206 -1.356 -5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.181 -5.396 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.198 -3.168 -6.594 1.00 0.00 H new ATOM 443 N SER A 29 -9.349 -0.756 1.060 1.00 0.00 N ATOM 444 CA SER A 29 -10.272 -0.726 2.195 1.00 0.00 C ATOM 445 C SER A 29 -11.567 -0.038 1.776 1.00 0.00 C ATOM 446 O SER A 29 -12.651 -0.484 2.123 1.00 0.00 O ATOM 447 CB SER A 29 -9.669 0.052 3.355 1.00 0.00 C ATOM 448 OG SER A 29 -8.502 -0.597 3.779 1.00 0.00 O ATOM 0 H SER A 29 -8.472 -0.259 1.216 1.00 0.00 H new ATOM 0 HA SER A 29 -10.466 -1.752 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.442 1.073 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.383 0.118 4.176 1.00 0.00 H new ATOM 0 HG SER A 29 -8.235 -1.260 3.109 1.00 0.00 H new ATOM 454 N LEU A 30 -11.445 1.033 0.996 1.00 0.00 N ATOM 455 CA LEU A 30 -12.631 1.724 0.513 1.00 0.00 C ATOM 456 C LEU A 30 -13.464 0.723 -0.269 1.00 0.00 C ATOM 457 O LEU A 30 -14.529 0.298 0.177 1.00 0.00 O ATOM 458 CB LEU A 30 -12.239 2.908 -0.371 1.00 0.00 C ATOM 459 CG LEU A 30 -13.491 3.562 -0.955 1.00 0.00 C ATOM 460 CD1 LEU A 30 -14.371 4.089 0.180 1.00 0.00 C ATOM 461 CD2 LEU A 30 -13.076 4.725 -1.861 1.00 0.00 C ATOM 0 H LEU A 30 -10.557 1.432 0.692 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.206 2.119 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.676 3.637 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.586 2.571 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.051 2.827 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.263 4.555 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.663 3.262 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.815 4.825 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.966 5.195 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.518 5.459 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.448 4.350 -2.670 1.00 0.00 H new ATOM 473 N GLU A 31 -12.939 0.318 -1.414 1.00 0.00 N ATOM 474 CA GLU A 31 -13.592 -0.668 -2.230 1.00 0.00 C ATOM 475 C GLU A 31 -13.712 -1.988 -1.401 1.00 0.00 C ATOM 476 O GLU A 31 -14.623 -2.084 -0.587 1.00 0.00 O ATOM 477 CB GLU A 31 -12.827 -0.872 -3.554 1.00 0.00 C ATOM 478 CG GLU A 31 -11.323 -0.825 -3.327 1.00 0.00 C ATOM 479 CD GLU A 31 -10.606 -1.690 -4.357 1.00 0.00 C ATOM 480 OE1 GLU A 31 -10.799 -2.895 -4.327 1.00 0.00 O ATOM 481 OE2 GLU A 31 -9.876 -1.135 -5.162 1.00 0.00 O ATOM 0 H GLU A 31 -12.058 0.665 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.593 -0.335 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.102 -1.831 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.115 -0.100 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.970 0.204 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.089 -1.175 -2.322 1.00 0.00 H new ATOM 488 N LYS A 32 -12.736 -2.946 -1.583 1.00 0.00 N ATOM 489 CA LYS A 32 -12.642 -4.227 -0.781 1.00 0.00 C ATOM 490 C LYS A 32 -13.567 -4.237 0.434 1.00 0.00 C ATOM 491 O LYS A 32 -14.295 -5.199 0.679 1.00 0.00 O ATOM 492 CB LYS A 32 -11.201 -4.499 -0.296 1.00 0.00 C ATOM 493 CG LYS A 32 -10.210 -4.323 -1.447 1.00 0.00 C ATOM 494 CD LYS A 32 -9.380 -5.604 -1.589 1.00 0.00 C ATOM 495 CE LYS A 32 -8.502 -5.802 -0.342 1.00 0.00 C ATOM 496 NZ LYS A 32 -7.626 -6.992 -0.538 1.00 0.00 N ATOM 0 H LYS A 32 -11.999 -2.855 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.956 -5.013 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.949 -3.818 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.129 -5.511 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.743 -4.115 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.558 -3.471 -1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.039 -6.462 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.754 -5.545 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.894 -4.914 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.128 -5.939 0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.031 -7.128 0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.215 -7.836 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.020 -6.843 -1.370 1.00 0.00 H new ATOM 510 N ASN A 33 -13.461 -3.141 1.208 1.00 0.00 N ATOM 511 CA ASN A 33 -14.212 -2.940 2.447 1.00 0.00 C ATOM 512 C ASN A 33 -13.522 -3.643 3.608 1.00 0.00 C ATOM 513 O ASN A 33 -14.151 -3.986 4.610 1.00 0.00 O ATOM 514 CB ASN A 33 -15.651 -3.425 2.310 1.00 0.00 C ATOM 515 CG ASN A 33 -16.582 -2.326 2.787 1.00 0.00 C ATOM 516 OD1 ASN A 33 -17.372 -2.530 3.704 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.520 -1.152 2.217 1.00 0.00 N ATOM 0 H ASN A 33 -12.841 -2.363 0.981 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.239 -1.870 2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.867 -3.679 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.802 -4.330 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.130 -0.399 2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.861 -0.989 1.455 1.00 0.00 H new ATOM 524 N GLU A 34 -12.209 -3.840 3.464 1.00 0.00 N ATOM 525 CA GLU A 34 -11.416 -4.484 4.494 1.00 0.00 C ATOM 526 C GLU A 34 -10.072 -3.771 4.596 1.00 0.00 C ATOM 527 O GLU A 34 -9.487 -3.390 3.584 1.00 0.00 O ATOM 528 CB GLU A 34 -11.208 -5.963 4.151 1.00 0.00 C ATOM 529 CG GLU A 34 -10.579 -6.687 5.344 1.00 0.00 C ATOM 530 CD GLU A 34 -11.545 -6.682 6.523 1.00 0.00 C ATOM 531 OE1 GLU A 34 -12.730 -6.499 6.293 1.00 0.00 O ATOM 532 OE2 GLU A 34 -11.088 -6.861 7.640 1.00 0.00 O ATOM 0 H GLU A 34 -11.679 -3.559 2.639 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.935 -4.425 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.162 -6.424 3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.564 -6.056 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.333 -7.713 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.646 -6.199 5.625 1.00 0.00 H new ATOM 539 N ASP A 35 -9.591 -3.579 5.810 1.00 0.00 N ATOM 540 CA ASP A 35 -8.321 -2.883 6.021 1.00 0.00 C ATOM 541 C ASP A 35 -7.111 -3.795 5.782 1.00 0.00 C ATOM 542 O ASP A 35 -6.010 -3.438 6.127 1.00 0.00 O ATOM 543 CB ASP A 35 -8.273 -2.325 7.445 1.00 0.00 C ATOM 544 CG ASP A 35 -8.260 -3.463 8.466 1.00 0.00 C ATOM 545 OD1 ASP A 35 -8.326 -4.609 8.055 1.00 0.00 O ATOM 546 OD2 ASP A 35 -8.181 -3.168 9.649 1.00 0.00 O ATOM 0 H ASP A 35 -10.052 -3.890 6.665 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.266 -2.071 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.384 -1.706 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.136 -1.682 7.619 1.00 0.00 H new ATOM 551 N ALA A 36 -7.373 -4.960 5.201 1.00 0.00 N ATOM 552 CA ALA A 36 -6.378 -6.008 4.901 1.00 0.00 C ATOM 553 C ALA A 36 -4.931 -5.581 4.813 1.00 0.00 C ATOM 554 O ALA A 36 -4.407 -5.114 5.759 1.00 0.00 O ATOM 555 CB ALA A 36 -6.791 -6.712 3.628 1.00 0.00 C ATOM 0 H ALA A 36 -8.316 -5.220 4.911 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.391 -6.666 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.066 -7.491 3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.775 -7.161 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.830 -5.992 2.810 1.00 0.00 H new ATOM 561 N SER A 37 -4.244 -5.844 3.698 1.00 0.00 N ATOM 562 CA SER A 37 -2.828 -5.532 3.659 1.00 0.00 C ATOM 563 C SER A 37 -2.189 -5.958 2.356 1.00 0.00 C ATOM 564 O SER A 37 -2.856 -6.456 1.443 1.00 0.00 O ATOM 565 CB SER A 37 -2.140 -6.296 4.793 1.00 0.00 C ATOM 566 OG SER A 37 -2.638 -7.628 4.822 1.00 0.00 O ATOM 0 H SER A 37 -4.631 -6.255 2.848 1.00 0.00 H new ATOM 0 HA SER A 37 -2.715 -4.453 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.060 -6.301 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.327 -5.803 5.747 1.00 0.00 H new ATOM 0 HG SER A 37 -2.462 -8.024 5.701 1.00 0.00 H new ATOM 572 N LEU A 38 -0.868 -5.806 2.313 1.00 0.00 N ATOM 573 CA LEU A 38 -0.105 -6.227 1.161 1.00 0.00 C ATOM 574 C LEU A 38 -0.494 -7.655 0.858 1.00 0.00 C ATOM 575 O LEU A 38 -1.278 -7.888 -0.011 1.00 0.00 O ATOM 576 CB LEU A 38 1.418 -6.161 1.422 1.00 0.00 C ATOM 577 CG LEU A 38 1.744 -5.098 2.468 1.00 0.00 C ATOM 578 CD1 LEU A 38 3.253 -5.073 2.710 1.00 0.00 C ATOM 579 CD2 LEU A 38 1.229 -3.727 1.981 1.00 0.00 C ATOM 0 H LEU A 38 -0.313 -5.395 3.064 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.322 -5.561 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.776 -7.133 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.941 -5.936 0.493 1.00 0.00 H new ATOM 0 HG LEU A 38 1.251 -5.331 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.489 -4.315 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.580 -6.049 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.767 -4.837 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.460 -2.966 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.712 -3.471 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.150 -3.775 1.834 1.00 0.00 H new ATOM 591 N ARG A 39 0.034 -8.575 1.661 1.00 0.00 N ATOM 592 CA ARG A 39 -0.241 -9.992 1.593 1.00 0.00 C ATOM 593 C ARG A 39 -1.080 -10.383 0.401 1.00 0.00 C ATOM 594 O ARG A 39 -0.619 -11.091 -0.492 1.00 0.00 O ATOM 595 CB ARG A 39 -0.948 -10.404 2.896 1.00 0.00 C ATOM 596 CG ARG A 39 -0.593 -9.420 4.043 1.00 0.00 C ATOM 597 CD ARG A 39 0.901 -9.522 4.401 1.00 0.00 C ATOM 598 NE ARG A 39 1.145 -10.694 5.235 1.00 0.00 N ATOM 599 CZ ARG A 39 2.381 -11.064 5.575 1.00 0.00 C ATOM 600 NH1 ARG A 39 3.419 -10.381 5.163 1.00 0.00 N ATOM 601 NH2 ARG A 39 2.557 -12.115 6.327 1.00 0.00 N ATOM 0 H ARG A 39 0.691 -8.335 2.404 1.00 0.00 H new ATOM 0 HA ARG A 39 0.708 -10.514 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.027 -10.418 2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.652 -11.416 3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.831 -8.400 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.199 -9.643 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.496 -9.586 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.218 -8.621 4.927 1.00 0.00 H new ATOM 0 HE ARG A 39 0.352 -11.243 5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.287 -9.557 4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.360 -10.673 5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.752 -12.650 6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.500 -12.402 6.590 1.00 0.00 H new ATOM 615 N LYS A 40 -2.306 -9.934 0.403 1.00 0.00 N ATOM 616 CA LYS A 40 -3.222 -10.243 -0.658 1.00 0.00 C ATOM 617 C LYS A 40 -3.239 -9.183 -1.749 1.00 0.00 C ATOM 618 O LYS A 40 -3.025 -9.471 -2.935 1.00 0.00 O ATOM 619 CB LYS A 40 -4.551 -10.362 -0.065 1.00 0.00 C ATOM 620 CG LYS A 40 -4.780 -11.821 0.350 1.00 0.00 C ATOM 621 CD LYS A 40 -3.612 -12.291 1.243 1.00 0.00 C ATOM 622 CE LYS A 40 -3.906 -13.696 1.775 1.00 0.00 C ATOM 623 NZ LYS A 40 -4.031 -14.645 0.633 1.00 0.00 N ATOM 0 H LYS A 40 -2.696 -9.345 1.139 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.906 -11.170 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.638 -9.706 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.312 -10.049 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.723 -11.913 0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.854 -12.454 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.683 -12.294 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.474 -11.598 2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.107 -14.018 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.826 -13.690 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.976 -15.622 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.945 -14.499 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.259 -14.477 -0.044 1.00 0.00 H new ATOM 637 N LEU A 41 -3.555 -7.959 -1.344 1.00 0.00 N ATOM 638 CA LEU A 41 -3.630 -6.889 -2.284 1.00 0.00 C ATOM 639 C LEU A 41 -2.375 -6.957 -3.135 1.00 0.00 C ATOM 640 O LEU A 41 -2.435 -6.935 -4.342 1.00 0.00 O ATOM 641 CB LEU A 41 -3.832 -5.568 -1.527 1.00 0.00 C ATOM 642 CG LEU A 41 -2.570 -4.724 -1.453 1.00 0.00 C ATOM 643 CD1 LEU A 41 -2.407 -3.941 -2.767 1.00 0.00 C ATOM 644 CD2 LEU A 41 -2.733 -3.756 -0.288 1.00 0.00 C ATOM 0 H LEU A 41 -3.758 -7.701 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.483 -6.963 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.618 -4.993 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.177 -5.785 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.689 -5.349 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.503 -3.334 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.331 -4.640 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.271 -3.294 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.843 -3.133 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.604 -3.124 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.869 -4.318 0.636 1.00 0.00 H new ATOM 656 N GLN A 42 -1.258 -7.142 -2.482 1.00 0.00 N ATOM 657 CA GLN A 42 -0.023 -7.329 -3.128 1.00 0.00 C ATOM 658 C GLN A 42 0.036 -8.691 -3.761 1.00 0.00 C ATOM 659 O GLN A 42 0.612 -8.843 -4.827 1.00 0.00 O ATOM 660 CB GLN A 42 1.041 -7.261 -2.107 1.00 0.00 C ATOM 661 CG GLN A 42 2.351 -7.662 -2.717 1.00 0.00 C ATOM 662 CD GLN A 42 3.415 -7.379 -1.701 1.00 0.00 C ATOM 663 OE1 GLN A 42 4.502 -6.904 -2.030 1.00 0.00 O ATOM 664 NE2 GLN A 42 3.150 -7.653 -0.456 1.00 0.00 N ATOM 0 H GLN A 42 -1.200 -7.164 -1.464 1.00 0.00 H new ATOM 0 HA GLN A 42 0.101 -6.565 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.110 -6.250 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.800 -7.919 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.344 -8.719 -2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.536 -7.103 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.244 -8.046 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.849 -7.474 0.265 1.00 0.00 H new ATOM 673 N ALA A 43 -0.497 -9.699 -3.012 1.00 0.00 N ATOM 674 CA ALA A 43 -0.442 -11.098 -3.466 1.00 0.00 C ATOM 675 C ALA A 43 -0.220 -11.118 -4.967 1.00 0.00 C ATOM 676 O ALA A 43 0.899 -11.288 -5.448 1.00 0.00 O ATOM 677 CB ALA A 43 -1.712 -11.879 -3.193 1.00 0.00 C ATOM 0 H ALA A 43 -0.958 -9.562 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 43 0.369 -11.568 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.596 -12.900 -3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.906 -11.894 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.548 -11.405 -3.707 1.00 0.00 H new ATOM 683 N ASP A 44 -1.326 -10.967 -5.701 1.00 0.00 N ATOM 684 CA ASP A 44 -1.276 -10.995 -7.160 1.00 0.00 C ATOM 685 C ASP A 44 -0.358 -9.912 -7.674 1.00 0.00 C ATOM 686 O ASP A 44 0.451 -10.160 -8.569 1.00 0.00 O ATOM 687 CB ASP A 44 -2.680 -10.817 -7.755 1.00 0.00 C ATOM 688 CG ASP A 44 -2.634 -10.977 -9.279 1.00 0.00 C ATOM 689 OD1 ASP A 44 -2.408 -12.091 -9.740 1.00 0.00 O ATOM 690 OD2 ASP A 44 -2.828 -9.985 -9.962 1.00 0.00 O ATOM 0 H ASP A 44 -2.258 -10.825 -5.311 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.888 -11.966 -7.469 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.361 -11.552 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.070 -9.832 -7.497 1.00 0.00 H new ATOM 695 N GLY A 45 -0.443 -8.714 -7.106 1.00 0.00 N ATOM 696 CA GLY A 45 0.445 -7.668 -7.552 1.00 0.00 C ATOM 697 C GLY A 45 0.137 -6.282 -6.989 1.00 0.00 C ATOM 698 O GLY A 45 0.668 -5.927 -5.955 1.00 0.00 O ATOM 0 H GLY A 45 -1.094 -8.456 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.466 -7.937 -7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.408 -7.619 -8.640 1.00 0.00 H new ATOM 702 N ARG A 46 -0.700 -5.523 -7.747 1.00 0.00 N ATOM 703 CA ARG A 46 -1.131 -4.084 -7.516 1.00 0.00 C ATOM 704 C ARG A 46 -0.251 -3.190 -6.595 1.00 0.00 C ATOM 705 O ARG A 46 -0.563 -2.026 -6.421 1.00 0.00 O ATOM 706 CB ARG A 46 -2.552 -4.099 -6.955 1.00 0.00 C ATOM 707 CG ARG A 46 -3.379 -5.122 -7.721 1.00 0.00 C ATOM 708 CD ARG A 46 -3.374 -6.435 -6.961 1.00 0.00 C ATOM 709 NE ARG A 46 -4.557 -6.523 -6.100 1.00 0.00 N ATOM 710 CZ ARG A 46 -4.875 -7.650 -5.452 1.00 0.00 C ATOM 711 NH1 ARG A 46 -4.091 -8.694 -5.517 1.00 0.00 N ATOM 712 NH2 ARG A 46 -5.984 -7.718 -4.768 1.00 0.00 N ATOM 0 H ARG A 46 -1.127 -5.906 -8.590 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.032 -3.619 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.535 -4.348 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.002 -3.110 -7.043 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.401 -4.763 -7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.968 -5.265 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.362 -7.270 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.469 -6.512 -6.358 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.154 -5.703 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.231 -8.653 -6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.339 -9.550 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.608 -6.912 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.227 -8.577 -4.274 1.00 0.00 H new ATOM 726 N ILE A 47 0.855 -3.700 -6.125 1.00 0.00 N ATOM 727 CA ILE A 47 1.834 -2.984 -5.319 1.00 0.00 C ATOM 728 C ILE A 47 3.081 -3.838 -5.313 1.00 0.00 C ATOM 729 O ILE A 47 3.814 -3.868 -4.337 1.00 0.00 O ATOM 730 CB ILE A 47 1.367 -2.727 -3.879 1.00 0.00 C ATOM 731 CG1 ILE A 47 1.113 -4.018 -3.145 1.00 0.00 C ATOM 732 CG2 ILE A 47 0.083 -1.929 -3.862 1.00 0.00 C ATOM 733 CD1 ILE A 47 0.827 -3.657 -1.678 1.00 0.00 C ATOM 0 H ILE A 47 1.120 -4.670 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 47 2.002 -1.997 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 47 2.166 -2.172 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.268 -4.550 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.977 -4.678 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.227 -1.760 -2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.244 -0.970 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.695 -2.481 -4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.637 -4.567 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.688 -3.139 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.047 -3.008 -1.627 1.00 0.00 H new ATOM 745 N THR A 48 3.265 -4.545 -6.449 1.00 0.00 N ATOM 746 CA THR A 48 4.369 -5.467 -6.691 1.00 0.00 C ATOM 747 C THR A 48 4.955 -6.070 -5.413 1.00 0.00 C ATOM 748 O THR A 48 4.327 -6.068 -4.366 1.00 0.00 O ATOM 749 CB THR A 48 5.421 -4.762 -7.553 1.00 0.00 C ATOM 750 OG1 THR A 48 6.097 -5.728 -8.346 1.00 0.00 O ATOM 751 CG2 THR A 48 6.457 -3.983 -6.711 1.00 0.00 C ATOM 0 H THR A 48 2.624 -4.480 -7.240 1.00 0.00 H new ATOM 0 HA THR A 48 3.982 -6.330 -7.233 1.00 0.00 H new ATOM 0 HB THR A 48 4.898 -4.038 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.770 -5.282 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.178 -3.504 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.947 -3.223 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.978 -4.672 -6.046 1.00 0.00 H new ATOM 759 N GLU A 49 6.132 -6.638 -5.514 1.00 0.00 N ATOM 760 CA GLU A 49 6.734 -7.268 -4.358 1.00 0.00 C ATOM 761 C GLU A 49 7.462 -6.286 -3.449 1.00 0.00 C ATOM 762 O GLU A 49 7.547 -6.498 -2.231 1.00 0.00 O ATOM 763 CB GLU A 49 7.699 -8.369 -4.804 1.00 0.00 C ATOM 764 CG GLU A 49 6.911 -9.519 -5.435 1.00 0.00 C ATOM 765 CD GLU A 49 7.874 -10.556 -6.012 1.00 0.00 C ATOM 766 OE1 GLU A 49 9.058 -10.267 -6.068 1.00 0.00 O ATOM 767 OE2 GLU A 49 7.411 -11.622 -6.390 1.00 0.00 O ATOM 0 H GLU A 49 6.687 -6.679 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 49 5.917 -7.693 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.416 -7.969 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.271 -8.732 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.268 -9.984 -4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.261 -9.137 -6.222 1.00 0.00 H new ATOM 774 N GLU A 50 8.010 -5.231 -4.022 1.00 0.00 N ATOM 775 CA GLU A 50 8.764 -4.280 -3.224 1.00 0.00 C ATOM 776 C GLU A 50 7.840 -3.354 -2.480 1.00 0.00 C ATOM 777 O GLU A 50 7.499 -3.643 -1.364 1.00 0.00 O ATOM 778 CB GLU A 50 9.717 -3.482 -4.119 1.00 0.00 C ATOM 779 CG GLU A 50 10.850 -4.391 -4.600 1.00 0.00 C ATOM 780 CD GLU A 50 11.699 -3.663 -5.635 1.00 0.00 C ATOM 781 OE1 GLU A 50 11.264 -2.625 -6.105 1.00 0.00 O ATOM 782 OE2 GLU A 50 12.772 -4.153 -5.944 1.00 0.00 O ATOM 0 H GLU A 50 7.950 -5.012 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 50 9.350 -4.833 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.175 -3.076 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.126 -2.635 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.470 -4.691 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.437 -5.303 -5.032 1.00 0.00 H new ATOM 789 N GLN A 51 7.502 -2.218 -3.103 1.00 0.00 N ATOM 790 CA GLN A 51 6.656 -1.172 -2.531 1.00 0.00 C ATOM 791 C GLN A 51 5.886 -1.582 -1.303 1.00 0.00 C ATOM 792 O GLN A 51 5.787 -0.800 -0.362 1.00 0.00 O ATOM 793 CB GLN A 51 5.670 -0.681 -3.587 1.00 0.00 C ATOM 794 CG GLN A 51 5.670 -1.640 -4.780 1.00 0.00 C ATOM 795 CD GLN A 51 4.530 -1.300 -5.750 1.00 0.00 C ATOM 796 OE1 GLN A 51 4.391 -1.953 -6.785 1.00 0.00 O ATOM 797 NE2 GLN A 51 3.704 -0.312 -5.491 1.00 0.00 N ATOM 0 H GLN A 51 7.821 -1.998 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 51 7.340 -0.385 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.669 -0.616 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.943 0.322 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.626 -1.581 -5.300 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.561 -2.666 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.813 0.233 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.954 -0.090 -6.145 1.00 0.00 H new ATOM 806 N ALA A 52 5.314 -2.774 -1.282 1.00 0.00 N ATOM 807 CA ALA A 52 4.562 -3.208 -0.161 1.00 0.00 C ATOM 808 C ALA A 52 5.430 -3.751 0.923 1.00 0.00 C ATOM 809 O ALA A 52 5.340 -3.318 2.055 1.00 0.00 O ATOM 810 CB ALA A 52 3.647 -4.266 -0.647 1.00 0.00 C ATOM 0 H ALA A 52 5.368 -3.449 -2.045 1.00 0.00 H new ATOM 0 HA ALA A 52 4.022 -2.364 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.044 -4.634 0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.994 -3.856 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.230 -5.087 -1.065 1.00 0.00 H new ATOM 816 N LYS A 53 6.296 -4.691 0.601 1.00 0.00 N ATOM 817 CA LYS A 53 7.131 -5.191 1.635 1.00 0.00 C ATOM 818 C LYS A 53 7.960 -4.044 2.134 1.00 0.00 C ATOM 819 O LYS A 53 8.143 -3.837 3.334 1.00 0.00 O ATOM 820 CB LYS A 53 8.023 -6.309 1.173 1.00 0.00 C ATOM 821 CG LYS A 53 8.703 -6.831 2.410 1.00 0.00 C ATOM 822 CD LYS A 53 9.400 -8.154 2.104 1.00 0.00 C ATOM 823 CE LYS A 53 10.533 -7.912 1.107 1.00 0.00 C ATOM 824 NZ LYS A 53 11.243 -9.192 0.842 1.00 0.00 N ATOM 0 H LYS A 53 6.426 -5.098 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 53 6.505 -5.609 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.445 -7.093 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.753 -5.952 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.429 -6.103 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.971 -6.972 3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.795 -8.590 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.686 -8.868 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.133 -7.506 0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.229 -7.173 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.014 -9.027 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.637 -9.561 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.575 -9.884 0.446 1.00 0.00 H new ATOM 838 N ALA A 54 8.411 -3.276 1.175 1.00 0.00 N ATOM 839 CA ALA A 54 9.173 -2.106 1.447 1.00 0.00 C ATOM 840 C ALA A 54 8.317 -1.191 2.296 1.00 0.00 C ATOM 841 O ALA A 54 8.807 -0.562 3.214 1.00 0.00 O ATOM 842 CB ALA A 54 9.562 -1.404 0.145 1.00 0.00 C ATOM 0 H ALA A 54 8.254 -3.454 0.183 1.00 0.00 H new ATOM 0 HA ALA A 54 10.093 -2.368 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.144 -0.511 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.158 -2.079 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.661 -1.120 -0.399 1.00 0.00 H new ATOM 848 N TYR A 55 7.010 -1.158 2.012 1.00 0.00 N ATOM 849 CA TYR A 55 6.114 -0.343 2.801 1.00 0.00 C ATOM 850 C TYR A 55 6.073 -0.802 4.219 1.00 0.00 C ATOM 851 O TYR A 55 6.139 -0.006 5.124 1.00 0.00 O ATOM 852 CB TYR A 55 4.718 -0.336 2.257 1.00 0.00 C ATOM 853 CG TYR A 55 3.808 0.227 3.314 1.00 0.00 C ATOM 854 CD1 TYR A 55 3.718 1.604 3.508 1.00 0.00 C ATOM 855 CD2 TYR A 55 3.073 -0.645 4.125 1.00 0.00 C ATOM 856 CE1 TYR A 55 2.890 2.113 4.513 1.00 0.00 C ATOM 857 CE2 TYR A 55 2.242 -0.133 5.129 1.00 0.00 C ATOM 858 CZ TYR A 55 2.152 1.245 5.321 1.00 0.00 C ATOM 859 OH TYR A 55 1.335 1.752 6.313 1.00 0.00 O ATOM 0 H TYR A 55 6.567 -1.679 1.255 1.00 0.00 H new ATOM 0 HA TYR A 55 6.511 0.671 2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.666 0.266 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.409 -1.346 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.287 2.277 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.147 -1.712 3.977 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.821 3.180 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.672 -0.804 5.754 1.00 0.00 H new ATOM 0 HH TYR A 55 0.619 1.112 6.506 1.00 0.00 H new ATOM 869 N LYS A 56 5.943 -2.096 4.405 1.00 0.00 N ATOM 870 CA LYS A 56 5.889 -2.647 5.728 1.00 0.00 C ATOM 871 C LYS A 56 7.029 -2.037 6.509 1.00 0.00 C ATOM 872 O LYS A 56 6.844 -1.451 7.565 1.00 0.00 O ATOM 873 CB LYS A 56 6.038 -4.157 5.625 1.00 0.00 C ATOM 874 CG LYS A 56 4.731 -4.840 6.037 1.00 0.00 C ATOM 875 CD LYS A 56 5.023 -6.266 6.504 1.00 0.00 C ATOM 876 CE LYS A 56 5.496 -7.109 5.318 1.00 0.00 C ATOM 877 NZ LYS A 56 5.724 -8.513 5.765 1.00 0.00 N ATOM 0 H LYS A 56 5.873 -2.782 3.653 1.00 0.00 H new ATOM 0 HA LYS A 56 4.946 -2.430 6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.298 -4.436 4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.853 -4.495 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.250 -4.276 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.037 -4.857 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.786 -6.255 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.127 -6.706 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.752 -7.086 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.416 -6.693 4.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.711 -9.146 4.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.647 -8.581 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.973 -8.793 6.428 1.00 0.00 H new ATOM 891 N GLU A 57 8.194 -2.166 5.925 1.00 0.00 N ATOM 892 CA GLU A 57 9.419 -1.623 6.480 1.00 0.00 C ATOM 893 C GLU A 57 9.321 -0.091 6.642 1.00 0.00 C ATOM 894 O GLU A 57 9.847 0.500 7.576 1.00 0.00 O ATOM 895 CB GLU A 57 10.551 -1.926 5.542 1.00 0.00 C ATOM 896 CG GLU A 57 11.867 -1.424 6.137 1.00 0.00 C ATOM 897 CD GLU A 57 13.024 -1.766 5.205 1.00 0.00 C ATOM 898 OE1 GLU A 57 12.770 -2.361 4.171 1.00 0.00 O ATOM 899 OE2 GLU A 57 14.146 -1.427 5.538 1.00 0.00 O ATOM 0 H GLU A 57 8.325 -2.656 5.040 1.00 0.00 H new ATOM 0 HA GLU A 57 9.586 -2.074 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.609 -3.000 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.373 -1.451 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.819 -0.346 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.030 -1.878 7.115 1.00 0.00 H new ATOM 906 N TYR A 58 8.639 0.524 5.707 1.00 0.00 N ATOM 907 CA TYR A 58 8.470 1.973 5.714 1.00 0.00 C ATOM 908 C TYR A 58 7.631 2.424 6.901 1.00 0.00 C ATOM 909 O TYR A 58 8.033 3.301 7.665 1.00 0.00 O ATOM 910 CB TYR A 58 7.808 2.444 4.405 1.00 0.00 C ATOM 911 CG TYR A 58 8.781 2.282 3.223 1.00 0.00 C ATOM 912 CD1 TYR A 58 10.106 1.832 3.424 1.00 0.00 C ATOM 913 CD2 TYR A 58 8.344 2.563 1.918 1.00 0.00 C ATOM 914 CE1 TYR A 58 10.971 1.679 2.333 1.00 0.00 C ATOM 915 CE2 TYR A 58 9.215 2.406 0.834 1.00 0.00 C ATOM 916 CZ TYR A 58 10.526 1.967 1.040 1.00 0.00 C ATOM 917 OH TYR A 58 11.380 1.813 -0.032 1.00 0.00 O ATOM 0 H TYR A 58 8.187 0.050 4.925 1.00 0.00 H new ATOM 0 HA TYR A 58 9.460 2.421 5.799 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.902 1.867 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.508 3.488 4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.452 1.606 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.332 2.901 1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.983 1.338 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.873 2.625 -0.167 1.00 0.00 H new ATOM 0 HH TYR A 58 10.913 2.054 -0.859 1.00 0.00 H new ATOM 927 N HIS A 59 6.462 1.825 7.045 1.00 0.00 N ATOM 928 CA HIS A 59 5.574 2.182 8.141 1.00 0.00 C ATOM 929 C HIS A 59 5.940 1.466 9.424 1.00 0.00 C ATOM 930 O HIS A 59 6.486 2.052 10.358 1.00 0.00 O ATOM 931 CB HIS A 59 4.124 1.883 7.770 1.00 0.00 C ATOM 932 CG HIS A 59 3.221 2.322 8.889 1.00 0.00 C ATOM 933 ND1 HIS A 59 2.889 1.485 9.942 1.00 0.00 N ATOM 934 CD2 HIS A 59 2.571 3.507 9.133 1.00 0.00 C ATOM 935 CE1 HIS A 59 2.074 2.173 10.765 1.00 0.00 C ATOM 936 NE2 HIS A 59 1.848 3.409 10.317 1.00 0.00 N ATOM 0 H HIS A 59 6.107 1.097 6.425 1.00 0.00 H new ATOM 0 HA HIS A 59 5.689 3.252 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.858 2.402 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.997 0.817 7.583 1.00 0.00 H new ATOM 0 HD1 HIS A 59 3.204 0.523 10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.615 4.382 8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.655 1.773 11.676 1.00 0.00 H new ATOM 945 N ASP A 60 5.598 0.191 9.456 1.00 0.00 N ATOM 946 CA ASP A 60 5.831 -0.651 10.606 1.00 0.00 C ATOM 947 C ASP A 60 7.278 -0.984 10.783 1.00 0.00 C ATOM 948 O ASP A 60 7.654 -1.506 11.833 1.00 0.00 O ATOM 949 CB ASP A 60 5.140 -1.972 10.401 1.00 0.00 C ATOM 950 CG ASP A 60 3.639 -1.769 10.207 1.00 0.00 C ATOM 951 OD1 ASP A 60 3.051 -1.057 11.002 1.00 0.00 O ATOM 952 OD2 ASP A 60 3.103 -2.331 9.267 1.00 0.00 O ATOM 0 H ASP A 60 5.148 -0.289 8.677 1.00 0.00 H new ATOM 0 HA ASP A 60 5.462 -0.101 11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.560 -2.477 9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.317 -2.618 11.261 1.00 0.00 H new ATOM 957 N LYS A 61 8.080 -0.805 9.738 1.00 0.00 N ATOM 958 CA LYS A 61 9.424 -1.221 9.828 1.00 0.00 C ATOM 959 C LYS A 61 9.418 -2.733 9.934 1.00 0.00 C ATOM 960 O LYS A 61 10.094 -3.348 10.759 1.00 0.00 O ATOM 961 CB LYS A 61 10.120 -0.563 10.968 1.00 0.00 C ATOM 962 CG LYS A 61 11.592 -0.783 10.777 1.00 0.00 C ATOM 963 CD LYS A 61 12.332 -0.472 12.082 1.00 0.00 C ATOM 964 CE LYS A 61 12.182 1.017 12.415 1.00 0.00 C ATOM 965 NZ LYS A 61 12.931 1.323 13.669 1.00 0.00 N ATOM 0 H LYS A 61 7.807 -0.383 8.851 1.00 0.00 H new ATOM 0 HA LYS A 61 9.986 -0.922 8.943 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.891 0.502 10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.788 -0.985 11.917 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.780 -1.814 10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.964 -0.145 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.930 -1.079 12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.387 -0.729 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.562 1.625 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.129 1.269 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.830 2.333 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.548 0.753 14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.937 1.097 13.536 1.00 0.00 H new ATOM 979 N ASN A 62 8.622 -3.300 9.033 1.00 0.00 N ATOM 980 CA ASN A 62 8.440 -4.711 8.887 1.00 0.00 C ATOM 981 C ASN A 62 7.881 -5.374 10.146 1.00 0.00 C ATOM 982 O ASN A 62 8.438 -6.352 10.643 1.00 0.00 O ATOM 983 CB ASN A 62 9.754 -5.363 8.494 1.00 0.00 C ATOM 984 CG ASN A 62 9.479 -6.727 7.901 1.00 0.00 C ATOM 985 OD1 ASN A 62 8.467 -6.920 7.226 1.00 0.00 O ATOM 986 ND2 ASN A 62 10.316 -7.688 8.106 1.00 0.00 N ATOM 0 H ASN A 62 8.073 -2.756 8.368 1.00 0.00 H new ATOM 0 HA ASN A 62 7.700 -4.857 8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.281 -4.739 7.772 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.401 -5.457 9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.140 -8.611 7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.153 -7.525 8.665 1.00 0.00 H new ATOM 993 N GLY A 63 6.765 -4.849 10.642 1.00 0.00 N ATOM 994 CA GLY A 63 6.123 -5.415 11.824 1.00 0.00 C ATOM 995 C GLY A 63 5.412 -6.720 11.461 1.00 0.00 C ATOM 996 O GLY A 63 5.390 -7.113 10.294 1.00 0.00 O ATOM 0 H GLY A 63 6.289 -4.038 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.867 -5.600 12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.407 -4.703 12.234 1.00 0.00 H new ATOM 1000 N GLY A 64 4.847 -7.396 12.458 1.00 0.00 N ATOM 1001 CA GLY A 64 4.158 -8.661 12.211 1.00 0.00 C ATOM 1002 C GLY A 64 2.662 -8.550 12.488 1.00 0.00 C ATOM 1003 O GLY A 64 2.158 -9.116 13.457 1.00 0.00 O ATOM 0 H GLY A 64 4.851 -7.095 13.433 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.315 -8.965 11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.588 -9.439 12.841 1.00 0.00 H new ATOM 1007 N ALA A 65 1.957 -7.821 11.631 1.00 0.00 N ATOM 1008 CA ALA A 65 0.519 -7.650 11.797 1.00 0.00 C ATOM 1009 C ALA A 65 -0.133 -7.263 10.472 1.00 0.00 C ATOM 1010 O ALA A 65 0.527 -6.743 9.581 1.00 0.00 O ATOM 1011 CB ALA A 65 0.239 -6.569 12.844 1.00 0.00 C ATOM 0 H ALA A 65 2.353 -7.343 10.822 1.00 0.00 H new ATOM 0 HA ALA A 65 0.096 -8.597 12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.838 -6.447 12.962 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.678 -6.864 13.797 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.677 -5.625 12.519 1.00 0.00 H new ATOM 1017 N ASN A 66 -1.436 -7.505 10.364 1.00 0.00 N ATOM 1018 CA ASN A 66 -2.176 -7.163 9.150 1.00 0.00 C ATOM 1019 C ASN A 66 -2.442 -5.660 9.109 1.00 0.00 C ATOM 1020 O ASN A 66 -1.912 -4.900 9.916 1.00 0.00 O ATOM 1021 CB ASN A 66 -3.514 -7.906 9.113 1.00 0.00 C ATOM 1022 CG ASN A 66 -4.363 -7.481 10.302 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -4.026 -7.784 11.447 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -5.434 -6.774 10.103 1.00 0.00 N ATOM 0 H ASN A 66 -2.000 -7.934 11.097 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.576 -7.456 8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.038 -7.688 8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.345 -8.983 9.139 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.998 -6.468 10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.711 -6.524 9.154 1.00 0.00 H new ATOM 1031 N ARG A 67 -3.242 -5.265 8.135 1.00 0.00 N ATOM 1032 CA ARG A 67 -3.612 -3.873 7.893 1.00 0.00 C ATOM 1033 C ARG A 67 -2.527 -3.140 7.246 1.00 0.00 C ATOM 1034 O ARG A 67 -2.705 -2.724 6.115 1.00 0.00 O ATOM 1035 CB ARG A 67 -4.029 -3.106 9.079 1.00 0.00 C ATOM 1036 CG ARG A 67 -3.924 -1.608 8.710 1.00 0.00 C ATOM 1037 CD ARG A 67 -5.042 -0.827 9.336 1.00 0.00 C ATOM 1038 NE ARG A 67 -5.386 -1.404 10.634 1.00 0.00 N ATOM 1039 CZ ARG A 67 -6.501 -1.054 11.288 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -7.331 -0.183 10.771 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -6.762 -1.584 12.457 1.00 0.00 N ATOM 0 H ARG A 67 -3.665 -5.915 7.472 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.485 -3.958 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.049 -3.362 9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.392 -3.338 9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.965 -1.212 9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.955 -1.492 7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.745 0.215 9.458 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.914 -0.835 8.682 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.760 -2.092 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.131 0.235 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.178 0.077 11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.117 -2.260 12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.610 -1.320 12.959 1.00 0.00 H new ATOM 1055 N LYS A 68 -1.401 -2.972 7.968 1.00 0.00 N ATOM 1056 CA LYS A 68 -0.238 -2.243 7.448 1.00 0.00 C ATOM 1057 C LYS A 68 -0.693 -1.087 6.601 1.00 0.00 C ATOM 1058 O LYS A 68 -0.779 0.050 7.066 1.00 0.00 O ATOM 1059 CB LYS A 68 0.666 -3.147 6.611 1.00 0.00 C ATOM 1060 CG LYS A 68 -0.099 -4.371 6.083 1.00 0.00 C ATOM 1061 CD LYS A 68 0.068 -5.532 7.063 1.00 0.00 C ATOM 1062 CE LYS A 68 1.521 -6.029 7.023 1.00 0.00 C ATOM 1063 NZ LYS A 68 1.561 -7.492 7.317 1.00 0.00 N ATOM 0 H LYS A 68 -1.277 -3.334 8.914 1.00 0.00 H new ATOM 0 HA LYS A 68 0.332 -1.882 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.073 -2.581 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.512 -3.477 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.155 -4.130 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.277 -4.653 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.190 -5.211 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.613 -6.343 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.955 -5.833 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.122 -5.485 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.455 -7.892 6.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.492 -7.642 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.763 -7.963 6.844 1.00 0.00 H new ATOM 1077 N VAL A 69 -1.033 -1.391 5.361 1.00 0.00 N ATOM 1078 CA VAL A 69 -1.526 -0.394 4.486 1.00 0.00 C ATOM 1079 C VAL A 69 -3.029 -0.258 4.692 1.00 0.00 C ATOM 1080 O VAL A 69 -3.516 -0.462 5.792 1.00 0.00 O ATOM 1081 CB VAL A 69 -1.219 -0.760 3.035 1.00 0.00 C ATOM 1082 CG1 VAL A 69 0.275 -0.884 2.843 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -1.885 -2.097 2.691 1.00 0.00 C ATOM 0 H VAL A 69 -0.969 -2.325 4.957 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.040 0.557 4.704 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.605 0.022 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.488 -1.145 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.753 0.066 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.663 -1.662 3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.665 -2.357 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.500 -2.875 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.964 -2.011 2.822 1.00 0.00 H new ATOM 1093 N ASN A 70 -3.776 0.051 3.643 1.00 0.00 N ATOM 1094 CA ASN A 70 -5.215 0.131 3.779 1.00 0.00 C ATOM 1095 C ASN A 70 -5.611 1.107 4.885 1.00 0.00 C ATOM 1096 O ASN A 70 -4.778 1.871 5.373 1.00 0.00 O ATOM 1097 CB ASN A 70 -5.714 -1.278 4.108 1.00 0.00 C ATOM 1098 CG ASN A 70 -6.033 -2.059 2.831 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -7.055 -1.822 2.192 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -5.224 -3.006 2.440 1.00 0.00 N ATOM 0 H ASN A 70 -3.416 0.246 2.709 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.662 0.499 2.855 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.957 -1.810 4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.605 -1.215 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.441 -3.549 1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.375 -3.203 2.970 1.00 0.00 H new ATOM 1107 N ASP A 71 -6.887 1.075 5.281 1.00 0.00 N ATOM 1108 CA ASP A 71 -7.370 1.964 6.333 1.00 0.00 C ATOM 1109 C ASP A 71 -8.862 1.748 6.573 1.00 0.00 C ATOM 1110 O ASP A 71 -9.625 1.934 5.640 1.00 0.00 O ATOM 1111 CB ASP A 71 -7.120 3.423 5.943 1.00 0.00 C ATOM 1112 CG ASP A 71 -7.894 4.351 6.872 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -7.517 4.448 8.028 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -8.852 4.953 6.413 1.00 0.00 O ATOM 1115 OXT ASP A 71 -9.217 1.402 7.688 1.00 0.00 O ATOM 0 H ASP A 71 -7.594 0.450 4.893 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.828 1.737 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.054 3.645 5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.427 3.590 4.911 1.00 0.00 H new TER 1120 ASP A 71