USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 446 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 46 LYS NZ :NH3+ 149:sc= -1.71 (180deg=-4.53!) USER MOD Set 1.2: A 47 ASN : amide:sc= 0.154 K(o=-1.6,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 1.38 (180deg=-0.866) USER MOD Single : A 7 ASN : amide:sc= -0.391 K(o=-0.39,f=-2.1!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.181 (180deg=-0.345) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 148:sc= -0.368 (180deg=-1.81!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=-0.00407 X(o=-0.0041,f=-0.4) USER MOD Single : A 35 ASN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= 0.601 (180deg=0.347) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0396) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.835 22.501 9.927 1.00 0.00 N ATOM 2 CA MET A 1 -0.963 21.446 8.886 1.00 0.00 C ATOM 3 C MET A 1 0.412 21.029 8.368 1.00 0.00 C ATOM 4 O MET A 1 0.830 19.882 8.558 1.00 0.00 O ATOM 5 CB MET A 1 -1.807 22.004 7.736 1.00 0.00 C ATOM 6 CG MET A 1 -3.091 22.671 8.196 1.00 0.00 C ATOM 7 SD MET A 1 -2.852 24.394 8.654 1.00 0.00 S ATOM 8 CE MET A 1 -2.864 25.178 7.054 1.00 0.00 C ATOM 0 H1 MET A 1 -1.365 22.217 10.776 1.00 0.00 H new ATOM 0 H2 MET A 1 0.168 22.628 10.171 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.219 23.396 9.563 1.00 0.00 H new ATOM 0 HA MET A 1 -1.442 20.566 9.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.212 22.726 7.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.053 21.194 7.050 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.833 22.610 7.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.494 22.125 9.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.726 26.253 7.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.055 24.774 6.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.818 24.988 6.563 1.00 0.00 H new ATOM 20 N GLU A 2 1.102 21.952 7.712 1.00 0.00 N ATOM 21 CA GLU A 2 2.428 21.676 7.164 1.00 0.00 C ATOM 22 C GLU A 2 2.363 20.576 6.114 1.00 0.00 C ATOM 23 O GLU A 2 2.311 20.858 4.916 1.00 0.00 O ATOM 24 CB GLU A 2 3.398 21.290 8.286 1.00 0.00 C ATOM 25 CG GLU A 2 4.310 22.413 8.721 1.00 0.00 C ATOM 26 CD GLU A 2 5.725 22.246 8.218 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.540 21.617 8.924 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.027 22.756 7.114 1.00 0.00 O ATOM 0 H GLU A 2 0.767 22.901 7.545 1.00 0.00 H new ATOM 0 HA GLU A 2 2.794 22.583 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.824 20.947 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.007 20.449 7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.910 23.360 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.320 22.466 9.810 1.00 0.00 H new ATOM 35 N ALA A 3 2.370 19.324 6.564 1.00 0.00 N ATOM 36 CA ALA A 3 2.311 18.178 5.657 1.00 0.00 C ATOM 37 C ALA A 3 2.491 16.872 6.416 1.00 0.00 C ATOM 38 O ALA A 3 3.151 16.824 7.452 1.00 0.00 O ATOM 39 CB ALA A 3 3.374 18.310 4.572 1.00 0.00 C ATOM 0 H ALA A 3 2.416 19.076 7.552 1.00 0.00 H new ATOM 0 HA ALA A 3 1.327 18.165 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.320 17.451 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.202 19.224 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.361 18.350 5.033 1.00 0.00 H new ATOM 45 N VAL A 4 1.894 15.804 5.892 1.00 0.00 N ATOM 46 CA VAL A 4 1.989 14.495 6.518 1.00 0.00 C ATOM 47 C VAL A 4 1.338 13.420 5.643 1.00 0.00 C ATOM 48 O VAL A 4 0.722 12.480 6.144 1.00 0.00 O ATOM 49 CB VAL A 4 1.332 14.482 7.904 1.00 0.00 C ATOM 50 CG1 VAL A 4 -0.175 14.657 7.792 1.00 0.00 C ATOM 51 CG2 VAL A 4 1.676 13.204 8.658 1.00 0.00 C ATOM 0 H VAL A 4 1.340 15.823 5.036 1.00 0.00 H new ATOM 0 HA VAL A 4 3.051 14.276 6.632 1.00 0.00 H new ATOM 0 HB VAL A 4 1.728 15.324 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.618 14.644 8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.396 15.609 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.593 13.843 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.198 13.220 9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.320 12.342 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.757 13.135 8.783 1.00 0.00 H new ATOM 61 N ASP A 5 1.481 13.573 4.331 1.00 0.00 N ATOM 62 CA ASP A 5 0.911 12.630 3.384 1.00 0.00 C ATOM 63 C ASP A 5 1.760 11.366 3.295 1.00 0.00 C ATOM 64 O ASP A 5 1.240 10.270 3.108 1.00 0.00 O ATOM 65 CB ASP A 5 0.783 13.269 2.001 1.00 0.00 C ATOM 66 CG ASP A 5 -0.255 12.588 1.138 1.00 0.00 C ATOM 67 OD1 ASP A 5 -1.456 12.903 1.282 1.00 0.00 O ATOM 68 OD2 ASP A 5 0.128 11.726 0.318 1.00 0.00 O ATOM 0 H ASP A 5 1.989 14.345 3.901 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.082 12.357 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.522 14.321 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.749 13.233 1.497 1.00 0.00 H new ATOM 73 N ALA A 6 3.072 11.529 3.430 1.00 0.00 N ATOM 74 CA ALA A 6 3.995 10.405 3.363 1.00 0.00 C ATOM 75 C ALA A 6 3.799 9.463 4.550 1.00 0.00 C ATOM 76 O ALA A 6 3.918 8.244 4.414 1.00 0.00 O ATOM 77 CB ALA A 6 5.433 10.899 3.309 1.00 0.00 C ATOM 0 H ALA A 6 3.520 12.432 3.587 1.00 0.00 H new ATOM 0 HA ALA A 6 3.783 9.848 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.109 10.046 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.570 11.523 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.651 11.483 4.203 1.00 0.00 H new ATOM 83 N ASN A 7 3.495 10.036 5.712 1.00 0.00 N ATOM 84 CA ASN A 7 3.279 9.238 6.916 1.00 0.00 C ATOM 85 C ASN A 7 2.074 8.331 6.748 1.00 0.00 C ATOM 86 O ASN A 7 2.141 7.136 7.039 1.00 0.00 O ATOM 87 CB ASN A 7 3.079 10.150 8.127 1.00 0.00 C ATOM 88 CG ASN A 7 4.369 10.388 8.892 1.00 0.00 C ATOM 89 OD1 ASN A 7 4.747 11.530 9.163 1.00 0.00 O ATOM 90 ND2 ASN A 7 5.054 9.306 9.243 1.00 0.00 N ATOM 0 H ASN A 7 3.393 11.042 5.845 1.00 0.00 H new ATOM 0 HA ASN A 7 4.161 8.619 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.675 11.106 7.795 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.340 9.706 8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.930 9.401 9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.705 8.380 8.998 1.00 0.00 H new ATOM 97 N SER A 8 0.971 8.893 6.266 1.00 0.00 N ATOM 98 CA SER A 8 -0.245 8.130 6.046 1.00 0.00 C ATOM 99 C SER A 8 -0.051 7.153 4.891 1.00 0.00 C ATOM 100 O SER A 8 -0.626 6.065 4.875 1.00 0.00 O ATOM 101 CB SER A 8 -1.420 9.065 5.752 1.00 0.00 C ATOM 102 OG SER A 8 -2.260 9.202 6.885 1.00 0.00 O ATOM 0 H SER A 8 0.897 9.880 6.020 1.00 0.00 H new ATOM 0 HA SER A 8 -0.468 7.567 6.952 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.044 10.044 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.997 8.676 4.913 1.00 0.00 H new ATOM 0 HG SER A 8 -3.002 9.806 6.671 1.00 0.00 H new ATOM 108 N LEU A 9 0.773 7.555 3.929 1.00 0.00 N ATOM 109 CA LEU A 9 1.063 6.728 2.764 1.00 0.00 C ATOM 110 C LEU A 9 1.918 5.525 3.160 1.00 0.00 C ATOM 111 O LEU A 9 1.667 4.397 2.732 1.00 0.00 O ATOM 112 CB LEU A 9 1.801 7.559 1.711 1.00 0.00 C ATOM 113 CG LEU A 9 1.959 6.900 0.338 1.00 0.00 C ATOM 114 CD1 LEU A 9 2.460 7.911 -0.677 1.00 0.00 C ATOM 115 CD2 LEU A 9 2.902 5.711 0.413 1.00 0.00 C ATOM 0 H LEU A 9 1.254 8.454 3.934 1.00 0.00 H new ATOM 0 HA LEU A 9 0.121 6.367 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.271 8.503 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.792 7.800 2.094 1.00 0.00 H new ATOM 0 HG LEU A 9 0.982 6.538 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.568 7.429 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.746 8.731 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.426 8.300 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.998 5.260 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.881 6.044 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.504 4.975 1.111 1.00 0.00 H new ATOM 127 N ALA A 10 2.943 5.785 3.969 1.00 0.00 N ATOM 128 CA ALA A 10 3.860 4.744 4.420 1.00 0.00 C ATOM 129 C ALA A 10 3.164 3.683 5.266 1.00 0.00 C ATOM 130 O ALA A 10 3.690 2.586 5.442 1.00 0.00 O ATOM 131 CB ALA A 10 5.010 5.363 5.198 1.00 0.00 C ATOM 0 H ALA A 10 3.159 6.715 4.327 1.00 0.00 H new ATOM 0 HA ALA A 10 4.246 4.245 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.689 4.578 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 10 5.549 6.061 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.618 5.895 6.065 1.00 0.00 H new ATOM 137 N GLN A 11 1.987 4.007 5.790 1.00 0.00 N ATOM 138 CA GLN A 11 1.236 3.075 6.617 1.00 0.00 C ATOM 139 C GLN A 11 0.438 2.112 5.756 1.00 0.00 C ATOM 140 O GLN A 11 0.392 0.917 6.034 1.00 0.00 O ATOM 141 CB GLN A 11 0.312 3.834 7.564 1.00 0.00 C ATOM 142 CG GLN A 11 -0.674 2.935 8.277 1.00 0.00 C ATOM 143 CD GLN A 11 -1.677 3.703 9.109 1.00 0.00 C ATOM 144 OE1 GLN A 11 -1.701 3.588 10.335 1.00 0.00 O ATOM 145 NE2 GLN A 11 -2.513 4.493 8.444 1.00 0.00 N ATOM 0 H GLN A 11 1.533 4.910 5.655 1.00 0.00 H new ATOM 0 HA GLN A 11 1.944 2.495 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.914 4.362 8.304 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.236 4.589 7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.206 2.332 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.129 2.245 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.455 4.556 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.212 5.036 8.950 1.00 0.00 H new ATOM 154 N ALA A 12 -0.184 2.626 4.705 1.00 0.00 N ATOM 155 CA ALA A 12 -0.961 1.782 3.812 1.00 0.00 C ATOM 156 C ALA A 12 -0.135 0.581 3.385 1.00 0.00 C ATOM 157 O ALA A 12 -0.646 -0.527 3.259 1.00 0.00 O ATOM 158 CB ALA A 12 -1.406 2.570 2.600 1.00 0.00 C ATOM 0 H ALA A 12 -0.166 3.614 4.452 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.847 1.431 4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.987 1.925 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.021 3.411 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.531 2.942 2.066 1.00 0.00 H new ATOM 164 N LYS A 13 1.158 0.819 3.187 1.00 0.00 N ATOM 165 CA LYS A 13 2.084 -0.237 2.797 1.00 0.00 C ATOM 166 C LYS A 13 2.628 -0.935 4.032 1.00 0.00 C ATOM 167 O LYS A 13 2.525 -2.153 4.156 1.00 0.00 O ATOM 168 CB LYS A 13 3.238 0.321 1.966 1.00 0.00 C ATOM 169 CG LYS A 13 3.591 1.758 2.284 1.00 0.00 C ATOM 170 CD LYS A 13 5.021 2.072 1.880 1.00 0.00 C ATOM 171 CE LYS A 13 5.164 3.501 1.383 1.00 0.00 C ATOM 172 NZ LYS A 13 6.305 4.204 2.031 1.00 0.00 N ATOM 0 H LYS A 13 1.589 1.738 3.291 1.00 0.00 H new ATOM 0 HA LYS A 13 1.539 -0.956 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.119 -0.301 2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.980 0.247 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.907 2.428 1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.463 1.940 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.683 1.915 2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.338 1.381 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.307 3.497 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.242 4.048 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.185 5.232 1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.334 3.961 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.195 3.911 1.579 1.00 0.00 H new ATOM 186 N GLU A 14 3.185 -0.154 4.961 1.00 0.00 N ATOM 187 CA GLU A 14 3.714 -0.713 6.200 1.00 0.00 C ATOM 188 C GLU A 14 2.681 -1.653 6.799 1.00 0.00 C ATOM 189 O GLU A 14 3.009 -2.697 7.366 1.00 0.00 O ATOM 190 CB GLU A 14 4.048 0.404 7.194 1.00 0.00 C ATOM 191 CG GLU A 14 5.503 0.850 7.148 1.00 0.00 C ATOM 192 CD GLU A 14 5.983 1.141 5.739 1.00 0.00 C ATOM 193 OE1 GLU A 14 6.175 0.179 4.967 1.00 0.00 O ATOM 194 OE2 GLU A 14 6.168 2.332 5.410 1.00 0.00 O ATOM 0 H GLU A 14 3.279 0.858 4.877 1.00 0.00 H new ATOM 0 HA GLU A 14 4.631 -1.262 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.408 1.262 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.814 0.063 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.624 1.744 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.130 0.075 7.588 1.00 0.00 H new ATOM 201 N ALA A 15 1.421 -1.270 6.639 1.00 0.00 N ATOM 202 CA ALA A 15 0.307 -2.066 7.133 1.00 0.00 C ATOM 203 C ALA A 15 -0.074 -3.153 6.124 1.00 0.00 C ATOM 204 O ALA A 15 -0.294 -4.309 6.494 1.00 0.00 O ATOM 205 CB ALA A 15 -0.888 -1.171 7.429 1.00 0.00 C ATOM 0 H ALA A 15 1.145 -0.408 6.168 1.00 0.00 H new ATOM 0 HA ALA A 15 0.616 -2.555 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.715 -1.778 7.798 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.613 -0.435 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.193 -0.658 6.517 1.00 0.00 H new ATOM 211 N ALA A 16 -0.148 -2.776 4.848 1.00 0.00 N ATOM 212 CA ALA A 16 -0.501 -3.718 3.789 1.00 0.00 C ATOM 213 C ALA A 16 0.523 -4.842 3.680 1.00 0.00 C ATOM 214 O ALA A 16 0.204 -5.942 3.227 1.00 0.00 O ATOM 215 CB ALA A 16 -0.633 -3.002 2.452 1.00 0.00 C ATOM 0 H ALA A 16 0.032 -1.826 4.524 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.463 -4.158 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.896 -3.723 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.412 -2.243 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.315 -2.527 2.198 1.00 0.00 H new ATOM 221 N ILE A 17 1.754 -4.564 4.096 1.00 0.00 N ATOM 222 CA ILE A 17 2.812 -5.561 4.040 1.00 0.00 C ATOM 223 C ILE A 17 2.729 -6.494 5.239 1.00 0.00 C ATOM 224 O ILE A 17 3.089 -7.667 5.153 1.00 0.00 O ATOM 225 CB ILE A 17 4.209 -4.909 3.972 1.00 0.00 C ATOM 226 CG1 ILE A 17 4.529 -4.167 5.271 1.00 0.00 C ATOM 227 CG2 ILE A 17 4.284 -3.962 2.782 1.00 0.00 C ATOM 228 CD1 ILE A 17 5.883 -3.490 5.261 1.00 0.00 C ATOM 0 H ILE A 17 2.041 -3.661 4.473 1.00 0.00 H new ATOM 0 HA ILE A 17 2.668 -6.138 3.127 1.00 0.00 H new ATOM 0 HB ILE A 17 4.952 -5.696 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.758 -3.418 5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.490 -4.871 6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.273 -3.506 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.103 -4.518 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.530 -3.183 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.044 -2.984 6.213 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.662 -4.237 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.919 -2.761 4.451 1.00 0.00 H new ATOM 240 N LYS A 18 2.226 -5.970 6.357 1.00 0.00 N ATOM 241 CA LYS A 18 2.066 -6.768 7.565 1.00 0.00 C ATOM 242 C LYS A 18 1.288 -8.035 7.245 1.00 0.00 C ATOM 243 O LYS A 18 1.595 -9.115 7.751 1.00 0.00 O ATOM 244 CB LYS A 18 1.343 -5.960 8.642 1.00 0.00 C ATOM 245 CG LYS A 18 1.476 -6.547 10.039 1.00 0.00 C ATOM 246 CD LYS A 18 2.473 -5.767 10.881 1.00 0.00 C ATOM 247 CE LYS A 18 2.874 -6.539 12.127 1.00 0.00 C ATOM 248 NZ LYS A 18 3.456 -5.648 13.169 1.00 0.00 N ATOM 0 H LYS A 18 1.924 -5.000 6.448 1.00 0.00 H new ATOM 0 HA LYS A 18 3.051 -7.042 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.736 -4.943 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.286 -5.893 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.503 -6.543 10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.794 -7.587 9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.360 -5.548 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.038 -4.810 11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.002 -7.051 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.599 -7.308 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.717 -6.213 14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.303 -5.178 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.755 -4.930 13.443 1.00 0.00 H new ATOM 262 N GLU A 19 0.294 -7.896 6.374 1.00 0.00 N ATOM 263 CA GLU A 19 -0.513 -9.032 5.953 1.00 0.00 C ATOM 264 C GLU A 19 0.291 -9.900 4.998 1.00 0.00 C ATOM 265 O GLU A 19 0.185 -11.126 5.010 1.00 0.00 O ATOM 266 CB GLU A 19 -1.800 -8.552 5.273 1.00 0.00 C ATOM 267 CG GLU A 19 -3.065 -8.942 6.018 1.00 0.00 C ATOM 268 CD GLU A 19 -3.687 -7.776 6.762 1.00 0.00 C ATOM 269 OE1 GLU A 19 -2.945 -7.052 7.458 1.00 0.00 O ATOM 270 OE2 GLU A 19 -4.916 -7.587 6.648 1.00 0.00 O ATOM 0 H GLU A 19 0.029 -7.008 5.947 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.786 -9.618 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.766 -7.467 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.842 -8.962 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.790 -9.345 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.835 -9.738 6.726 1.00 0.00 H new ATOM 277 N LEU A 20 1.107 -9.247 4.180 1.00 0.00 N ATOM 278 CA LEU A 20 1.949 -9.942 3.223 1.00 0.00 C ATOM 279 C LEU A 20 2.926 -10.859 3.948 1.00 0.00 C ATOM 280 O LEU A 20 3.269 -11.935 3.458 1.00 0.00 O ATOM 281 CB LEU A 20 2.714 -8.935 2.367 1.00 0.00 C ATOM 282 CG LEU A 20 2.997 -9.387 0.934 1.00 0.00 C ATOM 283 CD1 LEU A 20 2.223 -8.532 -0.061 1.00 0.00 C ATOM 284 CD2 LEU A 20 4.485 -9.330 0.647 1.00 0.00 C ATOM 0 H LEU A 20 1.201 -8.232 4.163 1.00 0.00 H new ATOM 0 HA LEU A 20 1.315 -10.547 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.147 -8.005 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.663 -8.712 2.856 1.00 0.00 H new ATOM 0 HG LEU A 20 2.665 -10.419 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.438 -8.869 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.155 -8.625 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.522 -7.489 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.671 -9.655 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.841 -8.308 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.014 -9.987 1.338 1.00 0.00 H new ATOM 296 N LYS A 21 3.358 -10.429 5.130 1.00 0.00 N ATOM 297 CA LYS A 21 4.282 -11.217 5.935 1.00 0.00 C ATOM 298 C LYS A 21 3.512 -12.229 6.770 1.00 0.00 C ATOM 299 O LYS A 21 3.971 -13.351 6.983 1.00 0.00 O ATOM 300 CB LYS A 21 5.117 -10.309 6.841 1.00 0.00 C ATOM 301 CG LYS A 21 4.297 -9.550 7.870 1.00 0.00 C ATOM 302 CD LYS A 21 5.178 -8.944 8.952 1.00 0.00 C ATOM 303 CE LYS A 21 4.956 -9.619 10.296 1.00 0.00 C ATOM 304 NZ LYS A 21 5.553 -8.840 11.415 1.00 0.00 N ATOM 0 H LYS A 21 3.083 -9.541 5.550 1.00 0.00 H new ATOM 0 HA LYS A 21 4.958 -11.750 5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.863 -10.913 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.659 -9.594 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.732 -8.760 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.571 -10.223 8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.225 -9.039 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.967 -7.878 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.887 -9.741 10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.391 -10.618 10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.981 -8.971 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.523 -9.172 11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.573 -7.831 11.164 1.00 0.00 H new ATOM 318 N GLN A 22 2.328 -11.832 7.226 1.00 0.00 N ATOM 319 CA GLN A 22 1.483 -12.715 8.022 1.00 0.00 C ATOM 320 C GLN A 22 0.939 -13.843 7.151 1.00 0.00 C ATOM 321 O GLN A 22 0.706 -14.954 7.624 1.00 0.00 O ATOM 322 CB GLN A 22 0.330 -11.930 8.651 1.00 0.00 C ATOM 323 CG GLN A 22 0.303 -12.003 10.171 1.00 0.00 C ATOM 324 CD GLN A 22 -1.029 -12.489 10.709 1.00 0.00 C ATOM 325 OE1 GLN A 22 -1.148 -13.622 11.173 1.00 0.00 O ATOM 326 NE2 GLN A 22 -2.039 -11.629 10.650 1.00 0.00 N ATOM 0 H GLN A 22 1.933 -10.907 7.058 1.00 0.00 H new ATOM 0 HA GLN A 22 2.085 -13.145 8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.403 -10.886 8.347 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.614 -12.310 8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.094 -12.671 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.518 -11.017 10.582 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.895 -10.699 10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.959 -11.898 10.998 1.00 0.00 H new ATOM 335 N TYR A 23 0.749 -13.543 5.869 1.00 0.00 N ATOM 336 CA TYR A 23 0.243 -14.520 4.915 1.00 0.00 C ATOM 337 C TYR A 23 1.357 -15.452 4.460 1.00 0.00 C ATOM 338 O TYR A 23 1.161 -16.661 4.334 1.00 0.00 O ATOM 339 CB TYR A 23 -0.351 -13.810 3.697 1.00 0.00 C ATOM 340 CG TYR A 23 -1.836 -13.571 3.794 1.00 0.00 C ATOM 341 CD1 TYR A 23 -2.726 -14.632 3.840 1.00 0.00 C ATOM 342 CD2 TYR A 23 -2.345 -12.281 3.835 1.00 0.00 C ATOM 343 CE1 TYR A 23 -4.087 -14.417 3.924 1.00 0.00 C ATOM 344 CE2 TYR A 23 -3.703 -12.055 3.919 1.00 0.00 C ATOM 345 CZ TYR A 23 -4.572 -13.126 3.964 1.00 0.00 C ATOM 346 OH TYR A 23 -5.928 -12.906 4.047 1.00 0.00 O ATOM 0 H TYR A 23 0.940 -12.625 5.467 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.532 -15.106 5.409 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.153 -12.853 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.146 -14.404 2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -2.349 -15.644 3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.667 -11.441 3.801 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.768 -15.254 3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.084 -11.045 3.949 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.102 -11.942 4.067 1.00 0.00 H new ATOM 356 N GLY A 24 2.524 -14.874 4.205 1.00 0.00 N ATOM 357 CA GLY A 24 3.657 -15.656 3.754 1.00 0.00 C ATOM 358 C GLY A 24 4.007 -15.389 2.300 1.00 0.00 C ATOM 359 O GLY A 24 4.956 -15.968 1.770 1.00 0.00 O ATOM 0 H GLY A 24 2.705 -13.875 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.521 -15.432 4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.437 -16.716 3.883 1.00 0.00 H new ATOM 363 N ILE A 25 3.239 -14.512 1.648 1.00 0.00 N ATOM 364 CA ILE A 25 3.483 -14.178 0.239 1.00 0.00 C ATOM 365 C ILE A 25 4.967 -13.879 -0.003 1.00 0.00 C ATOM 366 O ILE A 25 5.746 -13.773 0.944 1.00 0.00 O ATOM 367 CB ILE A 25 2.633 -12.973 -0.252 1.00 0.00 C ATOM 368 CG1 ILE A 25 1.532 -12.606 0.752 1.00 0.00 C ATOM 369 CG2 ILE A 25 2.014 -13.291 -1.604 1.00 0.00 C ATOM 370 CD1 ILE A 25 0.576 -11.547 0.242 1.00 0.00 C ATOM 0 H ILE A 25 2.448 -14.023 2.068 1.00 0.00 H new ATOM 0 HA ILE A 25 3.182 -15.055 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 25 3.298 -12.115 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.967 -13.504 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.995 -12.253 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.420 -12.442 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.804 -13.491 -2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.374 -14.168 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.175 -11.338 1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.129 -10.635 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.085 -11.905 -0.663 1.00 0.00 H new ATOM 382 N GLY A 26 5.356 -13.754 -1.273 1.00 0.00 N ATOM 383 CA GLY A 26 6.745 -13.484 -1.596 1.00 0.00 C ATOM 384 C GLY A 26 7.165 -12.067 -1.264 1.00 0.00 C ATOM 385 O GLY A 26 6.333 -11.161 -1.202 1.00 0.00 O ATOM 0 H GLY A 26 4.735 -13.835 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.381 -14.182 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.907 -13.666 -2.658 1.00 0.00 H new ATOM 389 N ASP A 27 8.464 -11.875 -1.056 1.00 0.00 N ATOM 390 CA ASP A 27 9.003 -10.560 -0.734 1.00 0.00 C ATOM 391 C ASP A 27 8.827 -9.598 -1.906 1.00 0.00 C ATOM 392 O ASP A 27 8.814 -8.381 -1.731 1.00 0.00 O ATOM 393 CB ASP A 27 10.482 -10.665 -0.359 1.00 0.00 C ATOM 394 CG ASP A 27 10.689 -10.873 1.129 1.00 0.00 C ATOM 395 OD1 ASP A 27 10.381 -9.945 1.906 1.00 0.00 O ATOM 396 OD2 ASP A 27 11.158 -11.963 1.515 1.00 0.00 O ATOM 0 H ASP A 27 9.163 -12.616 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 27 8.450 -10.169 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.934 -11.493 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.998 -9.757 -0.671 1.00 0.00 H new ATOM 401 N TYR A 28 8.688 -10.155 -3.104 1.00 0.00 N ATOM 402 CA TYR A 28 8.504 -9.354 -4.310 1.00 0.00 C ATOM 403 C TYR A 28 7.438 -8.286 -4.104 1.00 0.00 C ATOM 404 O TYR A 28 7.596 -7.137 -4.511 1.00 0.00 O ATOM 405 CB TYR A 28 8.065 -10.246 -5.469 1.00 0.00 C ATOM 406 CG TYR A 28 8.561 -9.753 -6.802 1.00 0.00 C ATOM 407 CD1 TYR A 28 9.905 -9.478 -6.999 1.00 0.00 C ATOM 408 CD2 TYR A 28 7.685 -9.543 -7.857 1.00 0.00 C ATOM 409 CE1 TYR A 28 10.366 -9.010 -8.210 1.00 0.00 C ATOM 410 CE2 TYR A 28 8.135 -9.076 -9.074 1.00 0.00 C ATOM 411 CZ TYR A 28 9.478 -8.809 -9.247 1.00 0.00 C ATOM 412 OH TYR A 28 9.933 -8.342 -10.458 1.00 0.00 O ATOM 0 H TYR A 28 8.699 -11.162 -3.267 1.00 0.00 H new ATOM 0 HA TYR A 28 9.458 -8.876 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.432 -11.259 -5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.977 -10.300 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.603 -9.633 -6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.633 -9.749 -7.723 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.417 -8.802 -8.347 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.441 -8.920 -9.887 1.00 0.00 H new ATOM 0 HH TYR A 28 9.180 -8.257 -11.080 1.00 0.00 H new ATOM 422 N TYR A 29 6.337 -8.709 -3.508 1.00 0.00 N ATOM 423 CA TYR A 29 5.185 -7.845 -3.275 1.00 0.00 C ATOM 424 C TYR A 29 5.423 -6.816 -2.174 1.00 0.00 C ATOM 425 O TYR A 29 5.209 -5.627 -2.379 1.00 0.00 O ATOM 426 CB TYR A 29 3.973 -8.723 -2.980 1.00 0.00 C ATOM 427 CG TYR A 29 3.886 -9.873 -3.960 1.00 0.00 C ATOM 428 CD1 TYR A 29 4.345 -9.720 -5.267 1.00 0.00 C ATOM 429 CD2 TYR A 29 3.377 -11.108 -3.583 1.00 0.00 C ATOM 430 CE1 TYR A 29 4.293 -10.766 -6.167 1.00 0.00 C ATOM 431 CE2 TYR A 29 3.325 -12.160 -4.478 1.00 0.00 C ATOM 432 CZ TYR A 29 3.784 -11.984 -5.768 1.00 0.00 C ATOM 433 OH TYR A 29 3.731 -13.029 -6.661 1.00 0.00 O ATOM 0 H TYR A 29 6.213 -9.663 -3.170 1.00 0.00 H new ATOM 0 HA TYR A 29 5.005 -7.257 -4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.039 -9.111 -1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.064 -8.124 -3.034 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.748 -8.768 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.016 -11.249 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.649 -10.631 -7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.927 -13.115 -4.169 1.00 0.00 H new ATOM 0 HH TYR A 29 3.347 -13.816 -6.221 1.00 0.00 H new ATOM 443 N ILE A 30 5.889 -7.240 -1.013 1.00 0.00 N ATOM 444 CA ILE A 30 6.162 -6.279 0.051 1.00 0.00 C ATOM 445 C ILE A 30 7.045 -5.162 -0.510 1.00 0.00 C ATOM 446 O ILE A 30 6.997 -4.016 -0.060 1.00 0.00 O ATOM 447 CB ILE A 30 6.841 -6.951 1.257 1.00 0.00 C ATOM 448 CG1 ILE A 30 7.189 -5.927 2.346 1.00 0.00 C ATOM 449 CG2 ILE A 30 8.067 -7.712 0.803 1.00 0.00 C ATOM 450 CD1 ILE A 30 8.382 -5.057 2.022 1.00 0.00 C ATOM 0 H ILE A 30 6.083 -8.214 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 30 5.218 -5.864 0.405 1.00 0.00 H new ATOM 0 HB ILE A 30 6.139 -7.659 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.323 -5.287 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.383 -6.457 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.541 -8.184 1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.775 -8.477 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.770 -7.023 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.559 -4.362 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.262 -5.684 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.186 -4.496 1.108 1.00 0.00 H new ATOM 462 N LYS A 31 7.831 -5.521 -1.525 1.00 0.00 N ATOM 463 CA LYS A 31 8.721 -4.582 -2.197 1.00 0.00 C ATOM 464 C LYS A 31 7.991 -3.838 -3.308 1.00 0.00 C ATOM 465 O LYS A 31 8.041 -2.609 -3.379 1.00 0.00 O ATOM 466 CB LYS A 31 9.910 -5.331 -2.788 1.00 0.00 C ATOM 467 CG LYS A 31 10.823 -5.952 -1.743 1.00 0.00 C ATOM 468 CD LYS A 31 11.668 -4.899 -1.040 1.00 0.00 C ATOM 469 CE LYS A 31 11.288 -4.763 0.425 1.00 0.00 C ATOM 470 NZ LYS A 31 12.352 -4.084 1.216 1.00 0.00 N ATOM 0 H LYS A 31 7.867 -6.468 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 31 9.068 -3.856 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.542 -6.116 -3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.491 -4.644 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.223 -6.488 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.475 -6.685 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.722 -5.165 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.543 -3.938 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.359 -4.199 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.099 -5.751 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.053 -4.011 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.232 -4.635 1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.515 -3.131 0.833 1.00 0.00 H new ATOM 484 N LEU A 32 7.307 -4.586 -4.176 1.00 0.00 N ATOM 485 CA LEU A 32 6.565 -3.985 -5.278 1.00 0.00 C ATOM 486 C LEU A 32 5.604 -2.905 -4.751 1.00 0.00 C ATOM 487 O LEU A 32 5.148 -2.041 -5.499 1.00 0.00 O ATOM 488 CB LEU A 32 5.843 -5.089 -6.092 1.00 0.00 C ATOM 489 CG LEU A 32 4.330 -5.165 -5.941 1.00 0.00 C ATOM 490 CD1 LEU A 32 3.985 -5.140 -4.477 1.00 0.00 C ATOM 491 CD2 LEU A 32 3.651 -4.026 -6.687 1.00 0.00 C ATOM 0 H LEU A 32 7.253 -5.604 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 32 7.254 -3.484 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.073 -4.941 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.263 -6.053 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 32 3.967 -6.095 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.903 -5.194 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.448 -5.992 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.354 -4.216 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.571 -4.103 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.995 -3.072 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.900 -4.085 -7.746 1.00 0.00 H new ATOM 503 N ILE A 33 5.326 -2.965 -3.444 1.00 0.00 N ATOM 504 CA ILE A 33 4.450 -2.010 -2.780 1.00 0.00 C ATOM 505 C ILE A 33 5.194 -0.704 -2.515 1.00 0.00 C ATOM 506 O ILE A 33 4.772 0.366 -2.951 1.00 0.00 O ATOM 507 CB ILE A 33 3.928 -2.604 -1.445 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.779 -3.578 -1.730 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.493 -1.514 -0.468 1.00 0.00 C ATOM 510 CD1 ILE A 33 1.984 -3.986 -0.506 1.00 0.00 C ATOM 0 H ILE A 33 5.705 -3.679 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 33 3.601 -1.804 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 33 4.746 -3.145 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.102 -3.121 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.186 -4.474 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.134 -1.973 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.341 -0.866 -0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.693 -0.924 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.192 -4.675 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.644 -4.475 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.543 -3.101 -0.047 1.00 0.00 H new ATOM 522 N ASN A 34 6.305 -0.805 -1.793 1.00 0.00 N ATOM 523 CA ASN A 34 7.115 0.361 -1.461 1.00 0.00 C ATOM 524 C ASN A 34 7.469 1.173 -2.709 1.00 0.00 C ATOM 525 O ASN A 34 7.770 2.363 -2.617 1.00 0.00 O ATOM 526 CB ASN A 34 8.394 -0.077 -0.745 1.00 0.00 C ATOM 527 CG ASN A 34 9.223 1.099 -0.267 1.00 0.00 C ATOM 528 OD1 ASN A 34 8.685 2.112 0.180 1.00 0.00 O ATOM 529 ND2 ASN A 34 10.541 0.970 -0.357 1.00 0.00 N ATOM 0 H ASN A 34 6.666 -1.685 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 34 6.527 0.999 -0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.133 -0.704 0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.993 -0.689 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.150 1.728 -0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.945 0.113 -0.734 1.00 0.00 H new ATOM 536 N ASN A 35 7.441 0.524 -3.871 1.00 0.00 N ATOM 537 CA ASN A 35 7.771 1.189 -5.127 1.00 0.00 C ATOM 538 C ASN A 35 6.695 2.195 -5.534 1.00 0.00 C ATOM 539 O ASN A 35 6.982 3.178 -6.217 1.00 0.00 O ATOM 540 CB ASN A 35 7.956 0.155 -6.238 1.00 0.00 C ATOM 541 CG ASN A 35 9.074 0.526 -7.194 1.00 0.00 C ATOM 542 OD1 ASN A 35 9.983 -0.266 -7.443 1.00 0.00 O ATOM 543 ND2 ASN A 35 9.012 1.738 -7.733 1.00 0.00 N ATOM 0 H ASN A 35 7.193 -0.461 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 35 8.702 1.734 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.169 -0.817 -5.794 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.024 0.053 -6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.736 2.045 -8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.240 2.362 -7.498 1.00 0.00 H new ATOM 550 N ALA A 36 5.457 1.945 -5.118 1.00 0.00 N ATOM 551 CA ALA A 36 4.345 2.833 -5.452 1.00 0.00 C ATOM 552 C ALA A 36 4.629 4.271 -5.030 1.00 0.00 C ATOM 553 O ALA A 36 5.379 4.519 -4.086 1.00 0.00 O ATOM 554 CB ALA A 36 3.059 2.336 -4.812 1.00 0.00 C ATOM 0 H ALA A 36 5.198 1.138 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 36 4.227 2.823 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.241 3.008 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.835 1.334 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.178 2.309 -3.729 1.00 0.00 H new ATOM 560 N LYS A 37 4.020 5.215 -5.742 1.00 0.00 N ATOM 561 CA LYS A 37 4.199 6.633 -5.453 1.00 0.00 C ATOM 562 C LYS A 37 3.033 7.167 -4.624 1.00 0.00 C ATOM 563 O LYS A 37 3.211 8.011 -3.751 1.00 0.00 O ATOM 564 CB LYS A 37 4.315 7.415 -6.758 1.00 0.00 C ATOM 565 CG LYS A 37 5.754 7.759 -7.135 1.00 0.00 C ATOM 566 CD LYS A 37 6.247 6.893 -8.283 1.00 0.00 C ATOM 567 CE LYS A 37 6.634 5.502 -7.808 1.00 0.00 C ATOM 568 NZ LYS A 37 8.061 5.435 -7.389 1.00 0.00 N ATOM 0 H LYS A 37 3.396 5.022 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 37 5.115 6.758 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.866 6.833 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.740 8.337 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.817 8.810 -7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.402 7.622 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.468 6.816 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.106 7.369 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.996 5.213 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.456 4.783 -8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.214 4.582 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.669 5.398 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.298 6.278 -6.828 1.00 0.00 H new ATOM 582 N THR A 38 1.840 6.652 -4.901 1.00 0.00 N ATOM 583 CA THR A 38 0.640 7.059 -4.182 1.00 0.00 C ATOM 584 C THR A 38 0.409 6.127 -2.996 1.00 0.00 C ATOM 585 O THR A 38 1.361 5.564 -2.459 1.00 0.00 O ATOM 586 CB THR A 38 -0.569 7.047 -5.122 1.00 0.00 C ATOM 587 OG1 THR A 38 -0.993 5.720 -5.377 1.00 0.00 O ATOM 588 CG2 THR A 38 -0.296 7.707 -6.457 1.00 0.00 C ATOM 0 H THR A 38 1.679 5.949 -5.622 1.00 0.00 H new ATOM 0 HA THR A 38 0.772 8.074 -3.809 1.00 0.00 H new ATOM 0 HB THR A 38 -1.342 7.616 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.767 5.734 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.193 7.664 -7.074 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.015 8.748 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.517 7.185 -6.962 1.00 0.00 H new ATOM 596 N VAL A 39 -0.846 5.954 -2.586 1.00 0.00 N ATOM 597 CA VAL A 39 -1.142 5.073 -1.466 1.00 0.00 C ATOM 598 C VAL A 39 -2.364 4.196 -1.723 1.00 0.00 C ATOM 599 O VAL A 39 -2.352 3.001 -1.422 1.00 0.00 O ATOM 600 CB VAL A 39 -1.319 5.849 -0.153 1.00 0.00 C ATOM 601 CG1 VAL A 39 -2.754 6.280 0.062 1.00 0.00 C ATOM 602 CG2 VAL A 39 -0.849 4.984 0.992 1.00 0.00 C ATOM 0 H VAL A 39 -1.659 6.405 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.275 4.421 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.721 6.759 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.833 6.825 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.067 6.925 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.397 5.400 0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.970 5.525 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.439 4.068 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.202 4.733 0.851 1.00 0.00 H new ATOM 612 N GLU A 40 -3.421 4.786 -2.272 1.00 0.00 N ATOM 613 CA GLU A 40 -4.646 4.042 -2.554 1.00 0.00 C ATOM 614 C GLU A 40 -4.340 2.742 -3.290 1.00 0.00 C ATOM 615 O GLU A 40 -4.982 1.718 -3.056 1.00 0.00 O ATOM 616 CB GLU A 40 -5.612 4.897 -3.375 1.00 0.00 C ATOM 617 CG GLU A 40 -7.064 4.721 -2.972 1.00 0.00 C ATOM 618 CD GLU A 40 -8.025 5.170 -4.058 1.00 0.00 C ATOM 619 OE1 GLU A 40 -7.601 5.253 -5.230 1.00 0.00 O ATOM 620 OE2 GLU A 40 -9.204 5.437 -3.737 1.00 0.00 O ATOM 0 H GLU A 40 -3.455 5.772 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.115 3.793 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.338 5.946 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.502 4.645 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.249 3.673 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.257 5.289 -2.062 1.00 0.00 H new ATOM 627 N GLY A 41 -3.348 2.788 -4.171 1.00 0.00 N ATOM 628 CA GLY A 41 -2.969 1.604 -4.915 1.00 0.00 C ATOM 629 C GLY A 41 -2.024 0.718 -4.128 1.00 0.00 C ATOM 630 O GLY A 41 -1.995 -0.496 -4.318 1.00 0.00 O ATOM 0 H GLY A 41 -2.801 3.622 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.863 1.038 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.494 1.900 -5.850 1.00 0.00 H new ATOM 634 N VAL A 42 -1.247 1.331 -3.242 1.00 0.00 N ATOM 635 CA VAL A 42 -0.293 0.600 -2.421 1.00 0.00 C ATOM 636 C VAL A 42 -0.978 -0.461 -1.564 1.00 0.00 C ATOM 637 O VAL A 42 -0.565 -1.621 -1.545 1.00 0.00 O ATOM 638 CB VAL A 42 0.490 1.541 -1.494 1.00 0.00 C ATOM 639 CG1 VAL A 42 1.513 0.746 -0.715 1.00 0.00 C ATOM 640 CG2 VAL A 42 1.166 2.648 -2.286 1.00 0.00 C ATOM 0 H VAL A 42 -1.261 2.337 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 42 0.393 0.115 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.207 2.009 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.069 1.414 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.007 -0.013 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.202 0.263 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.714 3.300 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.859 2.210 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.411 3.229 -2.816 1.00 0.00 H new ATOM 650 N GLU A 43 -2.014 -0.057 -0.844 1.00 0.00 N ATOM 651 CA GLU A 43 -2.744 -0.979 0.024 1.00 0.00 C ATOM 652 C GLU A 43 -3.502 -2.009 -0.800 1.00 0.00 C ATOM 653 O GLU A 43 -3.402 -3.212 -0.557 1.00 0.00 O ATOM 654 CB GLU A 43 -3.715 -0.216 0.929 1.00 0.00 C ATOM 655 CG GLU A 43 -4.293 1.033 0.286 1.00 0.00 C ATOM 656 CD GLU A 43 -5.490 1.580 1.040 1.00 0.00 C ATOM 657 OE1 GLU A 43 -5.327 1.956 2.219 1.00 0.00 O ATOM 658 OE2 GLU A 43 -6.590 1.630 0.450 1.00 0.00 O ATOM 0 H GLU A 43 -2.370 0.899 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.017 -1.498 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.532 -0.880 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.199 0.064 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.520 1.800 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.587 0.806 -0.739 1.00 0.00 H new ATOM 665 N SER A 44 -4.253 -1.531 -1.783 1.00 0.00 N ATOM 666 CA SER A 44 -5.019 -2.409 -2.653 1.00 0.00 C ATOM 667 C SER A 44 -4.084 -3.288 -3.477 1.00 0.00 C ATOM 668 O SER A 44 -4.470 -4.357 -3.946 1.00 0.00 O ATOM 669 CB SER A 44 -5.921 -1.577 -3.569 1.00 0.00 C ATOM 670 OG SER A 44 -5.285 -1.301 -4.807 1.00 0.00 O ATOM 0 H SER A 44 -4.347 -0.538 -1.997 1.00 0.00 H new ATOM 0 HA SER A 44 -5.645 -3.057 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.854 -2.112 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.181 -0.641 -3.075 1.00 0.00 H new ATOM 0 HG SER A 44 -5.885 -0.770 -5.372 1.00 0.00 H new ATOM 676 N LEU A 45 -2.847 -2.826 -3.645 1.00 0.00 N ATOM 677 CA LEU A 45 -1.842 -3.562 -4.406 1.00 0.00 C ATOM 678 C LEU A 45 -1.643 -4.965 -3.840 1.00 0.00 C ATOM 679 O LEU A 45 -1.846 -5.957 -4.539 1.00 0.00 O ATOM 680 CB LEU A 45 -0.514 -2.795 -4.397 1.00 0.00 C ATOM 681 CG LEU A 45 -0.162 -2.012 -5.676 1.00 0.00 C ATOM 682 CD1 LEU A 45 1.014 -2.653 -6.395 1.00 0.00 C ATOM 683 CD2 LEU A 45 -1.355 -1.850 -6.614 1.00 0.00 C ATOM 0 H LEU A 45 -2.516 -1.941 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.194 -3.659 -5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.531 -2.094 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.289 -3.506 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 45 0.126 -1.009 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.245 -2.083 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.883 -2.660 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.759 -3.677 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.049 -1.291 -7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.718 -2.833 -6.914 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.151 -1.310 -6.101 1.00 0.00 H new ATOM 694 N LYS A 46 -1.245 -5.045 -2.573 1.00 0.00 N ATOM 695 CA LYS A 46 -1.022 -6.334 -1.929 1.00 0.00 C ATOM 696 C LYS A 46 -2.345 -7.079 -1.742 1.00 0.00 C ATOM 697 O LYS A 46 -2.454 -8.262 -2.051 1.00 0.00 O ATOM 698 CB LYS A 46 -0.284 -6.147 -0.588 1.00 0.00 C ATOM 699 CG LYS A 46 -0.760 -7.054 0.544 1.00 0.00 C ATOM 700 CD LYS A 46 -1.953 -6.455 1.275 1.00 0.00 C ATOM 701 CE LYS A 46 -2.271 -7.218 2.549 1.00 0.00 C ATOM 702 NZ LYS A 46 -2.993 -6.372 3.539 1.00 0.00 N ATOM 0 H LYS A 46 -1.071 -4.237 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.389 -6.942 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.780 -6.321 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.393 -5.110 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.032 -8.029 0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.056 -7.217 1.249 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.746 -5.413 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.823 -6.463 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.877 -8.091 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.346 -7.585 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.628 -6.968 4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.305 -5.905 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.551 -5.651 3.038 1.00 0.00 H new ATOM 716 N ASN A 47 -3.355 -6.388 -1.239 1.00 0.00 N ATOM 717 CA ASN A 47 -4.654 -7.016 -1.025 1.00 0.00 C ATOM 718 C ASN A 47 -5.206 -7.560 -2.337 1.00 0.00 C ATOM 719 O ASN A 47 -5.957 -8.535 -2.352 1.00 0.00 O ATOM 720 CB ASN A 47 -5.639 -6.020 -0.405 1.00 0.00 C ATOM 721 CG ASN A 47 -5.881 -6.289 1.067 1.00 0.00 C ATOM 722 OD1 ASN A 47 -5.428 -5.537 1.930 1.00 0.00 O ATOM 723 ND2 ASN A 47 -6.598 -7.367 1.362 1.00 0.00 N ATOM 0 H ASN A 47 -3.305 -5.404 -0.973 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.522 -7.847 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.254 -5.008 -0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.587 -6.068 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.793 -7.599 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.954 -7.963 0.615 1.00 0.00 H new ATOM 730 N GLU A 48 -4.810 -6.935 -3.442 1.00 0.00 N ATOM 731 CA GLU A 48 -5.249 -7.373 -4.760 1.00 0.00 C ATOM 732 C GLU A 48 -4.455 -8.601 -5.182 1.00 0.00 C ATOM 733 O GLU A 48 -4.998 -9.540 -5.766 1.00 0.00 O ATOM 734 CB GLU A 48 -5.078 -6.254 -5.789 1.00 0.00 C ATOM 735 CG GLU A 48 -5.480 -6.655 -7.200 1.00 0.00 C ATOM 736 CD GLU A 48 -6.336 -5.608 -7.884 1.00 0.00 C ATOM 737 OE1 GLU A 48 -7.116 -4.928 -7.185 1.00 0.00 O ATOM 738 OE2 GLU A 48 -6.226 -5.467 -9.121 1.00 0.00 O ATOM 0 H GLU A 48 -4.188 -6.127 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.307 -7.628 -4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.674 -5.395 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.036 -5.934 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.582 -6.829 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.026 -7.598 -7.164 1.00 0.00 H new ATOM 745 N ILE A 49 -3.167 -8.594 -4.856 1.00 0.00 N ATOM 746 CA ILE A 49 -2.295 -9.718 -5.173 1.00 0.00 C ATOM 747 C ILE A 49 -2.769 -10.961 -4.432 1.00 0.00 C ATOM 748 O ILE A 49 -2.574 -12.090 -4.882 1.00 0.00 O ATOM 749 CB ILE A 49 -0.815 -9.424 -4.811 1.00 0.00 C ATOM 750 CG1 ILE A 49 -0.590 -9.438 -3.292 1.00 0.00 C ATOM 751 CG2 ILE A 49 -0.384 -8.086 -5.397 1.00 0.00 C ATOM 752 CD1 ILE A 49 0.741 -10.001 -2.878 1.00 0.00 C ATOM 0 H ILE A 49 -2.705 -7.824 -4.373 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.346 -9.884 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.204 -10.216 -5.243 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.677 -8.420 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.382 -10.022 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.656 -7.892 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.486 -8.114 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.013 -7.293 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.824 -9.977 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.824 -11.031 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.541 -9.404 -3.317 1.00 0.00 H new ATOM 764 N LEU A 50 -3.400 -10.726 -3.287 1.00 0.00 N ATOM 765 CA LEU A 50 -3.924 -11.793 -2.454 1.00 0.00 C ATOM 766 C LEU A 50 -5.260 -12.281 -2.994 1.00 0.00 C ATOM 767 O LEU A 50 -5.589 -13.463 -2.890 1.00 0.00 O ATOM 768 CB LEU A 50 -4.070 -11.291 -1.018 1.00 0.00 C ATOM 769 CG LEU A 50 -2.744 -11.028 -0.301 1.00 0.00 C ATOM 770 CD1 LEU A 50 -2.827 -9.759 0.529 1.00 0.00 C ATOM 771 CD2 LEU A 50 -2.359 -12.217 0.568 1.00 0.00 C ATOM 0 H LEU A 50 -3.561 -9.790 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.230 -12.634 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.653 -10.370 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.639 -12.024 -0.446 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.968 -10.892 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.874 -9.590 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.050 -8.913 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.616 -9.862 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.413 -12.010 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.135 -12.389 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.252 -13.104 -0.056 1.00 0.00 H new ATOM 783 N LYS A 51 -6.019 -11.370 -3.594 1.00 0.00 N ATOM 784 CA LYS A 51 -7.306 -11.723 -4.175 1.00 0.00 C ATOM 785 C LYS A 51 -7.115 -12.792 -5.248 1.00 0.00 C ATOM 786 O LYS A 51 -8.039 -13.538 -5.572 1.00 0.00 O ATOM 787 CB LYS A 51 -7.981 -10.486 -4.774 1.00 0.00 C ATOM 788 CG LYS A 51 -9.171 -9.993 -3.968 1.00 0.00 C ATOM 789 CD LYS A 51 -8.773 -9.638 -2.544 1.00 0.00 C ATOM 790 CE LYS A 51 -9.834 -10.067 -1.545 1.00 0.00 C ATOM 791 NZ LYS A 51 -11.145 -9.413 -1.809 1.00 0.00 N ATOM 0 H LYS A 51 -5.765 -10.387 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.949 -12.119 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.247 -9.684 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.309 -10.716 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.604 -9.119 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.943 -10.762 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.826 -10.119 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.613 -8.562 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.954 -11.150 -1.586 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.503 -9.821 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.807 -9.639 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.014 -8.383 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.531 -9.760 -2.710 1.00 0.00 H new ATOM 805 N ALA A 52 -5.900 -12.859 -5.790 1.00 0.00 N ATOM 806 CA ALA A 52 -5.569 -13.833 -6.819 1.00 0.00 C ATOM 807 C ALA A 52 -4.148 -14.358 -6.636 1.00 0.00 C ATOM 808 O ALA A 52 -3.308 -14.236 -7.529 1.00 0.00 O ATOM 809 CB ALA A 52 -5.736 -13.216 -8.200 1.00 0.00 C ATOM 0 H ALA A 52 -5.128 -12.246 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.254 -14.676 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.485 -13.955 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.769 -12.895 -8.332 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.073 -12.356 -8.297 1.00 0.00 H new ATOM 815 N LEU A 53 -3.886 -14.944 -5.472 1.00 0.00 N ATOM 816 CA LEU A 53 -2.568 -15.488 -5.166 1.00 0.00 C ATOM 817 C LEU A 53 -2.166 -16.556 -6.184 1.00 0.00 C ATOM 818 O LEU A 53 -2.735 -17.647 -6.205 1.00 0.00 O ATOM 819 CB LEU A 53 -2.559 -16.083 -3.755 1.00 0.00 C ATOM 820 CG LEU A 53 -1.925 -15.195 -2.684 1.00 0.00 C ATOM 821 CD1 LEU A 53 -2.680 -15.322 -1.369 1.00 0.00 C ATOM 822 CD2 LEU A 53 -0.459 -15.556 -2.495 1.00 0.00 C ATOM 0 H LEU A 53 -4.571 -15.054 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.844 -14.675 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.586 -16.302 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.025 -17.033 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.986 -14.158 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.214 -14.683 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.716 -15.016 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.651 -16.358 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.022 -14.915 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.378 -16.598 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.075 -15.414 -3.435 1.00 0.00 H new ATOM 834 N PRO A 54 -1.175 -16.259 -7.045 1.00 0.00 N ATOM 835 CA PRO A 54 -0.707 -17.206 -8.062 1.00 0.00 C ATOM 836 C PRO A 54 0.119 -18.337 -7.460 1.00 0.00 C ATOM 837 O PRO A 54 0.387 -18.353 -6.259 1.00 0.00 O ATOM 838 CB PRO A 54 0.160 -16.340 -8.976 1.00 0.00 C ATOM 839 CG PRO A 54 0.663 -15.250 -8.093 1.00 0.00 C ATOM 840 CD PRO A 54 -0.435 -14.983 -7.096 1.00 0.00 C ATOM 0 HA PRO A 54 -1.533 -17.698 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.981 -16.914 -9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.418 -15.940 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.583 -15.549 -7.590 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.892 -14.354 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.033 -14.713 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.075 -14.161 -7.415 1.00 0.00 H new ATOM 848 N THR A 55 0.522 -19.284 -8.303 1.00 0.00 N ATOM 849 CA THR A 55 1.317 -20.420 -7.854 1.00 0.00 C ATOM 850 C THR A 55 0.579 -21.214 -6.781 1.00 0.00 C ATOM 851 O THR A 55 0.738 -20.960 -5.587 1.00 0.00 O ATOM 852 CB THR A 55 2.666 -19.943 -7.314 1.00 0.00 C ATOM 853 OG1 THR A 55 3.195 -18.909 -8.126 1.00 0.00 O ATOM 854 CG2 THR A 55 3.703 -21.042 -7.236 1.00 0.00 C ATOM 0 H THR A 55 0.310 -19.286 -9.301 1.00 0.00 H new ATOM 0 HA THR A 55 1.485 -21.073 -8.710 1.00 0.00 H new ATOM 0 HB THR A 55 2.462 -19.587 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.057 -18.617 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.636 -20.635 -6.845 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.347 -21.832 -6.575 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.875 -21.451 -8.231 1.00 0.00 H new ATOM 862 N GLU A 56 -0.230 -22.175 -7.215 1.00 0.00 N ATOM 863 CA GLU A 56 -0.994 -23.005 -6.291 1.00 0.00 C ATOM 864 C GLU A 56 -0.129 -24.127 -5.726 1.00 0.00 C ATOM 865 O GLU A 56 0.815 -24.554 -6.424 1.00 0.00 O ATOM 866 CB GLU A 56 -2.218 -23.594 -6.994 1.00 0.00 C ATOM 867 CG GLU A 56 -3.277 -22.560 -7.340 1.00 0.00 C ATOM 868 CD GLU A 56 -4.135 -22.183 -6.148 1.00 0.00 C ATOM 869 OE1 GLU A 56 -3.566 -21.919 -5.067 1.00 0.00 O ATOM 870 OE2 GLU A 56 -5.375 -22.152 -6.295 1.00 0.00 O ATOM 871 OXT GLU A 56 -0.402 -24.568 -4.590 1.00 0.00 O ATOM 0 H GLU A 56 -0.373 -22.398 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.326 -22.375 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.897 -24.093 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.662 -24.357 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.792 -21.666 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.915 -22.950 -8.133 1.00 0.00 H new TER 878 GLU A 56