USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 669 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: 1 38 ASN : amide:sc= -2.06 K(o=-7.3,f=-9.3) USER MOD Set 1.2: 1 42 GLN : amide:sc= -5.27! C(o=-7.3!,f=-9.1!) USER MOD Single : 1 23 ASN : amide:sc= -0.275 X(o=-0.28,f=-0.014) USER MOD Single : 1 27 GLN : amide:sc= 0 K(o=0,f=-3.8!) USER MOD Single : 1 32 SER OG : rot 12:sc= 0.424 USER MOD Single : 1 34 GLN : amide:sc= -0.651 K(o=-0.65,f=-10!) USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot -72:sc= -0.503! USER MOD Single : 1 48 SER OG : rot 180:sc= -0.802 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 74 TYR OH : rot 30:sc= -0.887 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 78 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 92 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.034) USER MOD Single : 1 97 LYS NZ :NH3+ -163:sc= -0.504 (180deg=-0.936) USER MOD Single : 1 99 THR OG1 : rot -20:sc= 0.662 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN 1 23 -11.736 6.491 10.372 1.00 0.00 N ATOM 14 CA ASN 1 23 -10.746 6.413 11.440 1.00 0.00 C ATOM 15 C ASN 1 23 -9.747 5.293 11.174 1.00 0.00 C ATOM 16 O ASN 1 23 -9.423 4.510 12.068 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.436 6.191 12.788 1.00 0.00 C ATOM 18 CG ASN 1 23 -12.101 7.449 13.311 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -13.289 7.449 13.635 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -11.337 8.532 13.396 1.00 0.00 N ATOM 0 HA ASN 1 23 -10.204 7.358 11.470 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.183 5.404 12.685 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -10.703 5.842 13.515 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -11.730 9.408 13.741 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -10.357 8.488 13.117 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.261 5.223 9.940 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.297 4.199 9.556 1.00 0.00 C ATOM 29 C VAL 1 24 -7.262 4.749 8.580 1.00 0.00 C ATOM 30 O VAL 1 24 -7.548 5.657 7.800 1.00 0.00 O ATOM 31 CB VAL 1 24 -8.993 2.981 8.916 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -9.975 2.352 9.892 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.696 3.379 7.627 1.00 0.00 C ATOM 0 H VAL 1 24 -9.519 5.863 9.189 1.00 0.00 H new ATOM 0 HA VAL 1 24 -7.795 3.883 10.471 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.231 2.241 8.673 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -10.456 1.494 9.422 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -9.442 2.025 10.785 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -10.732 3.085 10.170 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.180 2.505 7.192 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.446 4.140 7.842 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -8.966 3.777 6.922 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.059 4.188 8.630 1.00 0.00 N ATOM 44 CA ARG 1 25 -4.976 4.612 7.750 1.00 0.00 C ATOM 45 C ARG 1 25 -4.048 3.443 7.440 1.00 0.00 C ATOM 46 O ARG 1 25 -3.522 2.800 8.348 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.183 5.751 8.395 1.00 0.00 C ATOM 48 CG ARG 1 25 -4.952 7.060 8.474 1.00 0.00 C ATOM 49 CD ARG 1 25 -4.280 8.044 9.417 1.00 0.00 C ATOM 50 NE ARG 1 25 -4.456 9.427 8.982 1.00 0.00 N ATOM 51 CZ ARG 1 25 -5.570 10.129 9.176 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -6.608 9.582 9.797 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -5.648 11.382 8.748 1.00 0.00 N ATOM 0 H ARG 1 25 -5.809 3.436 9.273 1.00 0.00 H new ATOM 0 HA ARG 1 25 -5.413 4.968 6.817 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -3.887 5.452 9.401 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -3.267 5.911 7.827 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -5.026 7.500 7.480 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -5.969 6.866 8.814 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -4.691 7.924 10.419 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -3.216 7.817 9.480 1.00 0.00 H new ATOM 0 HE ARG 1 25 -3.680 9.882 8.501 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -6.554 8.619 10.128 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -7.459 10.125 9.943 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -4.854 11.808 8.270 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -6.502 11.920 8.897 1.00 0.00 H new ATOM 67 N LEU 1 26 -3.853 3.166 6.154 1.00 0.00 N ATOM 68 CA LEU 1 26 -2.990 2.068 5.738 1.00 0.00 C ATOM 69 C LEU 1 26 -1.531 2.363 6.068 1.00 0.00 C ATOM 70 O LEU 1 26 -1.098 3.515 6.043 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.138 1.799 4.238 1.00 0.00 C ATOM 72 CG LEU 1 26 -3.293 0.324 3.867 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -4.757 -0.082 3.906 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -2.697 0.055 2.494 1.00 0.00 C ATOM 0 H LEU 1 26 -4.279 3.685 5.386 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.299 1.179 6.288 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -4.005 2.346 3.868 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.265 2.200 3.723 1.00 0.00 H new ATOM 0 HG LEU 1 26 -2.751 -0.276 4.598 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -4.850 -1.135 3.639 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.151 0.074 4.910 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -5.321 0.523 3.196 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -2.816 -1.000 2.246 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -3.210 0.663 1.749 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -1.637 0.309 2.501 1.00 0.00 H new ATOM 86 N GLN 1 27 -0.779 1.312 6.372 1.00 0.00 N ATOM 87 CA GLN 1 27 0.635 1.453 6.703 1.00 0.00 C ATOM 88 C GLN 1 27 1.508 1.150 5.488 1.00 0.00 C ATOM 89 O GLN 1 27 1.286 0.166 4.783 1.00 0.00 O ATOM 90 CB GLN 1 27 1.005 0.525 7.863 1.00 0.00 C ATOM 91 CG GLN 1 27 1.720 1.233 9.002 1.00 0.00 C ATOM 92 CD GLN 1 27 3.229 1.129 8.899 1.00 0.00 C ATOM 93 OE1 GLN 1 27 3.796 1.223 7.810 1.00 0.00 O ATOM 94 NE2 GLN 1 27 3.888 0.932 10.035 1.00 0.00 N ATOM 0 H GLN 1 27 -1.124 0.352 6.396 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.813 2.485 7.006 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 0.098 0.059 8.248 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 1.641 -0.277 7.488 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 1.432 2.284 9.009 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 1.394 0.807 9.951 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 3.377 0.860 10.915 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 4.905 0.853 10.028 1.00 0.00 H new ATOM 103 N VAL 1 28 2.499 2.003 5.248 1.00 0.00 N ATOM 104 CA VAL 1 28 3.404 1.825 4.114 1.00 0.00 C ATOM 105 C VAL 1 28 4.672 1.087 4.523 1.00 0.00 C ATOM 106 O VAL 1 28 5.350 1.477 5.473 1.00 0.00 O ATOM 107 CB VAL 1 28 3.803 3.172 3.476 1.00 0.00 C ATOM 108 CG1 VAL 1 28 2.768 3.605 2.453 1.00 0.00 C ATOM 109 CG2 VAL 1 28 3.998 4.246 4.538 1.00 0.00 C ATOM 0 H VAL 1 28 2.697 2.823 5.821 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.856 1.232 3.381 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.755 3.034 2.964 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 3.067 4.557 2.014 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.694 2.851 1.669 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 1.800 3.718 2.941 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 4.279 5.184 4.059 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 3.069 4.384 5.091 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 4.787 3.939 5.225 1.00 0.00 H new ATOM 119 N GLU 1 29 4.990 0.020 3.796 1.00 0.00 N ATOM 120 CA GLU 1 29 6.184 -0.766 4.084 1.00 0.00 C ATOM 121 C GLU 1 29 6.863 -1.229 2.798 1.00 0.00 C ATOM 122 O GLU 1 29 6.254 -1.906 1.969 1.00 0.00 O ATOM 123 CB GLU 1 29 5.828 -1.975 4.950 1.00 0.00 C ATOM 124 CG GLU 1 29 5.909 -1.699 6.442 1.00 0.00 C ATOM 125 CD GLU 1 29 5.731 -2.952 7.277 1.00 0.00 C ATOM 126 OE1 GLU 1 29 6.361 -3.980 6.947 1.00 0.00 O ATOM 127 OE2 GLU 1 29 4.963 -2.907 8.261 1.00 0.00 O ATOM 0 H GLU 1 29 4.440 -0.319 3.007 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.881 -0.129 4.628 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.818 -2.303 4.704 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.499 -2.798 4.704 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.874 -1.247 6.672 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 5.144 -0.973 6.716 1.00 0.00 H new ATOM 134 N GLY 1 30 8.133 -0.868 2.647 1.00 0.00 N ATOM 135 CA GLY 1 30 8.889 -1.260 1.471 1.00 0.00 C ATOM 136 C GLY 1 30 8.814 -0.247 0.346 1.00 0.00 C ATOM 137 O GLY 1 30 8.701 -0.614 -0.823 1.00 0.00 O ATOM 0 H GLY 1 30 8.655 -0.308 3.322 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.932 -1.406 1.750 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.518 -2.220 1.112 1.00 0.00 H new ATOM 141 N LEU 1 31 8.890 1.028 0.700 1.00 0.00 N ATOM 142 CA LEU 1 31 8.843 2.101 -0.282 1.00 0.00 C ATOM 143 C LEU 1 31 9.788 3.230 0.100 1.00 0.00 C ATOM 144 O LEU 1 31 10.165 3.376 1.263 1.00 0.00 O ATOM 145 CB LEU 1 31 7.425 2.635 -0.427 1.00 0.00 C ATOM 146 CG LEU 1 31 6.339 1.566 -0.443 1.00 0.00 C ATOM 147 CD1 LEU 1 31 5.005 2.160 -0.035 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.250 0.933 -1.821 1.00 0.00 C ATOM 0 H LEU 1 31 8.985 1.345 1.665 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.164 1.691 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.225 3.324 0.394 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.361 3.212 -1.350 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.598 0.790 0.277 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.240 1.383 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 5.082 2.571 0.971 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.732 2.953 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.471 0.171 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.009 1.699 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.206 0.475 -2.073 1.00 0.00 H new ATOM 160 N SER 1 32 10.169 4.023 -0.890 1.00 0.00 N ATOM 161 CA SER 1 32 11.074 5.141 -0.671 1.00 0.00 C ATOM 162 C SER 1 32 10.824 6.252 -1.685 1.00 0.00 C ATOM 163 O SER 1 32 10.564 5.989 -2.859 1.00 0.00 O ATOM 164 CB SER 1 32 12.524 4.669 -0.769 1.00 0.00 C ATOM 165 OG SER 1 32 12.905 3.946 0.389 1.00 0.00 O ATOM 0 H SER 1 32 9.864 3.912 -1.857 1.00 0.00 H new ATOM 0 HA SER 1 32 10.889 5.537 0.328 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.646 4.040 -1.651 1.00 0.00 H new ATOM 0 HB3 SER 1 32 13.182 5.529 -0.897 1.00 0.00 H new ATOM 0 HG SER 1 32 12.109 3.740 0.923 1.00 0.00 H new ATOM 171 N GLY 1 33 10.909 7.493 -1.223 1.00 0.00 N ATOM 172 CA GLY 1 33 10.695 8.628 -2.099 1.00 0.00 C ATOM 173 C GLY 1 33 9.347 8.592 -2.794 1.00 0.00 C ATOM 174 O GLY 1 33 8.335 8.249 -2.184 1.00 0.00 O ATOM 0 H GLY 1 33 11.123 7.734 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 10.775 9.548 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 11.485 8.655 -2.850 1.00 0.00 H new ATOM 178 N GLN 1 34 9.341 8.952 -4.075 1.00 0.00 N ATOM 179 CA GLN 1 34 8.119 8.974 -4.878 1.00 0.00 C ATOM 180 C GLN 1 34 7.275 7.724 -4.647 1.00 0.00 C ATOM 181 O GLN 1 34 6.046 7.783 -4.658 1.00 0.00 O ATOM 182 CB GLN 1 34 8.466 9.101 -6.363 1.00 0.00 C ATOM 183 CG GLN 1 34 8.388 10.527 -6.886 1.00 0.00 C ATOM 184 CD GLN 1 34 9.493 11.410 -6.339 1.00 0.00 C ATOM 185 OE1 GLN 1 34 10.113 11.092 -5.324 1.00 0.00 O ATOM 186 NE2 GLN 1 34 9.744 12.527 -7.011 1.00 0.00 N ATOM 0 H GLN 1 34 10.178 9.236 -4.585 1.00 0.00 H new ATOM 0 HA GLN 1 34 7.533 9.839 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 9.473 8.717 -6.526 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 7.788 8.473 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 8.443 10.514 -7.975 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 7.421 10.955 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 9.205 12.751 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 10.476 13.161 -6.691 1.00 0.00 H new ATOM 195 N LEU 1 35 7.942 6.598 -4.437 1.00 0.00 N ATOM 196 CA LEU 1 35 7.254 5.337 -4.202 1.00 0.00 C ATOM 197 C LEU 1 35 6.426 5.412 -2.931 1.00 0.00 C ATOM 198 O LEU 1 35 5.210 5.222 -2.954 1.00 0.00 O ATOM 199 CB LEU 1 35 8.267 4.198 -4.100 1.00 0.00 C ATOM 200 CG LEU 1 35 9.316 4.151 -5.219 1.00 0.00 C ATOM 201 CD1 LEU 1 35 9.819 2.731 -5.435 1.00 0.00 C ATOM 202 CD2 LEU 1 35 8.756 4.718 -6.515 1.00 0.00 C ATOM 0 H LEU 1 35 8.960 6.532 -4.425 1.00 0.00 H new ATOM 0 HA LEU 1 35 6.586 5.145 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 8.784 4.278 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.726 3.252 -4.092 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.158 4.770 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 10.561 2.725 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 10.272 2.362 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 8.984 2.087 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 9.519 4.673 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 7.890 4.133 -6.824 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 8.457 5.755 -6.360 1.00 0.00 H new ATOM 214 N GLU 1 36 7.095 5.699 -1.821 1.00 0.00 N ATOM 215 CA GLU 1 36 6.422 5.808 -0.535 1.00 0.00 C ATOM 216 C GLU 1 36 5.308 6.854 -0.601 1.00 0.00 C ATOM 217 O GLU 1 36 4.276 6.724 0.060 1.00 0.00 O ATOM 218 CB GLU 1 36 7.439 6.152 0.562 1.00 0.00 C ATOM 219 CG GLU 1 36 7.542 7.637 0.884 1.00 0.00 C ATOM 220 CD GLU 1 36 8.672 7.948 1.846 1.00 0.00 C ATOM 221 OE1 GLU 1 36 8.552 7.593 3.037 1.00 0.00 O ATOM 222 OE2 GLU 1 36 9.676 8.547 1.407 1.00 0.00 O ATOM 0 H GLU 1 36 8.102 5.860 -1.787 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.965 4.849 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 7.170 5.614 1.471 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 8.421 5.790 0.256 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 7.692 8.196 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 6.600 7.978 1.313 1.00 0.00 H new ATOM 229 N LYS 1 37 5.525 7.884 -1.414 1.00 0.00 N ATOM 230 CA LYS 1 37 4.544 8.952 -1.580 1.00 0.00 C ATOM 231 C LYS 1 37 3.365 8.473 -2.420 1.00 0.00 C ATOM 232 O LYS 1 37 2.211 8.566 -2.000 1.00 0.00 O ATOM 233 CB LYS 1 37 5.184 10.178 -2.239 1.00 0.00 C ATOM 234 CG LYS 1 37 6.644 10.387 -1.865 1.00 0.00 C ATOM 235 CD LYS 1 37 6.953 11.855 -1.617 1.00 0.00 C ATOM 236 CE LYS 1 37 8.282 12.257 -2.237 1.00 0.00 C ATOM 237 NZ LYS 1 37 8.375 13.729 -2.445 1.00 0.00 N ATOM 0 H LYS 1 37 6.373 8.002 -1.969 1.00 0.00 H new ATOM 0 HA LYS 1 37 4.183 9.232 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 5.107 10.078 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 4.617 11.066 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 6.878 9.809 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 7.283 10.010 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 6.155 12.471 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 6.978 12.047 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 9.097 11.929 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 8.406 11.747 -3.192 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 9.295 13.962 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 7.612 14.039 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 8.282 14.215 -1.530 1.00 0.00 H new ATOM 251 N ASN 1 38 3.663 7.955 -3.610 1.00 0.00 N ATOM 252 CA ASN 1 38 2.626 7.457 -4.508 1.00 0.00 C ATOM 253 C ASN 1 38 1.739 6.446 -3.792 1.00 0.00 C ATOM 254 O ASN 1 38 0.510 6.520 -3.860 1.00 0.00 O ATOM 255 CB ASN 1 38 3.255 6.816 -5.747 1.00 0.00 C ATOM 256 CG ASN 1 38 2.523 7.184 -7.023 1.00 0.00 C ATOM 257 OD1 ASN 1 38 1.888 6.340 -7.654 1.00 0.00 O ATOM 258 ND2 ASN 1 38 2.608 8.452 -7.409 1.00 0.00 N ATOM 0 H ASN 1 38 4.612 7.870 -3.973 1.00 0.00 H new ATOM 0 HA ASN 1 38 2.012 8.301 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 4.296 7.129 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 3.256 5.732 -5.631 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 2.136 8.759 -8.259 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 3.146 9.119 -6.855 1.00 0.00 H new ATOM 265 N VAL 1 39 2.370 5.506 -3.095 1.00 0.00 N ATOM 266 CA VAL 1 39 1.638 4.489 -2.357 1.00 0.00 C ATOM 267 C VAL 1 39 0.727 5.133 -1.322 1.00 0.00 C ATOM 268 O VAL 1 39 -0.460 4.817 -1.246 1.00 0.00 O ATOM 269 CB VAL 1 39 2.589 3.500 -1.658 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.801 2.363 -1.023 1.00 0.00 C ATOM 271 CG2 VAL 1 39 3.619 2.963 -2.643 1.00 0.00 C ATOM 0 H VAL 1 39 3.385 5.430 -3.027 1.00 0.00 H new ATOM 0 HA VAL 1 39 1.037 3.936 -3.078 1.00 0.00 H new ATOM 0 HB VAL 1 39 3.120 4.029 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.488 1.673 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 1.107 2.768 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 1.242 1.832 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 4.283 2.266 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 3.110 2.448 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 4.203 3.790 -3.046 1.00 0.00 H new ATOM 281 N ARG 1 40 1.284 6.053 -0.535 1.00 0.00 N ATOM 282 CA ARG 1 40 0.511 6.753 0.486 1.00 0.00 C ATOM 283 C ARG 1 40 -0.798 7.272 -0.101 1.00 0.00 C ATOM 284 O ARG 1 40 -1.853 7.188 0.529 1.00 0.00 O ATOM 285 CB ARG 1 40 1.323 7.912 1.068 1.00 0.00 C ATOM 286 CG ARG 1 40 2.047 7.560 2.358 1.00 0.00 C ATOM 287 CD ARG 1 40 1.271 8.027 3.579 1.00 0.00 C ATOM 288 NE ARG 1 40 1.212 6.999 4.616 1.00 0.00 N ATOM 289 CZ ARG 1 40 0.626 7.172 5.799 1.00 0.00 C ATOM 290 NH1 ARG 1 40 0.048 8.328 6.098 1.00 0.00 N ATOM 291 NH2 ARG 1 40 0.618 6.185 6.684 1.00 0.00 N ATOM 0 H ARG 1 40 2.265 6.329 -0.586 1.00 0.00 H new ATOM 0 HA ARG 1 40 0.281 6.050 1.287 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 2.054 8.240 0.329 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.657 8.755 1.253 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 2.195 6.481 2.411 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 3.036 8.018 2.358 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 1.738 8.924 3.984 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 0.259 8.301 3.282 1.00 0.00 H new ATOM 0 HE ARG 1 40 1.645 6.096 4.422 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 0.051 9.090 5.420 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 -0.399 8.455 7.006 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 1.061 5.294 6.458 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 0.169 6.317 7.591 1.00 0.00 H new ATOM 305 N ALA 1 41 -0.722 7.795 -1.322 1.00 0.00 N ATOM 306 CA ALA 1 41 -1.900 8.310 -2.004 1.00 0.00 C ATOM 307 C ALA 1 41 -2.901 7.189 -2.251 1.00 0.00 C ATOM 308 O ALA 1 41 -4.085 7.313 -1.931 1.00 0.00 O ATOM 309 CB ALA 1 41 -1.507 8.973 -3.316 1.00 0.00 C ATOM 0 H ALA 1 41 0.143 7.872 -1.857 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.370 9.059 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -2.399 9.353 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -0.824 9.799 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -1.016 8.243 -3.960 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.413 6.083 -2.808 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.264 4.933 -3.079 1.00 0.00 C ATOM 317 C GLN 1 42 -3.804 4.367 -1.772 1.00 0.00 C ATOM 318 O GLN 1 42 -4.939 3.896 -1.705 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.484 3.854 -3.835 1.00 0.00 C ATOM 320 CG GLN 1 42 -1.905 4.331 -5.159 1.00 0.00 C ATOM 321 CD GLN 1 42 -0.450 3.956 -5.328 1.00 0.00 C ATOM 322 OE1 GLN 1 42 0.030 2.994 -4.731 1.00 0.00 O ATOM 323 NE2 GLN 1 42 0.258 4.714 -6.150 1.00 0.00 N ATOM 0 H GLN 1 42 -1.437 5.961 -3.078 1.00 0.00 H new ATOM 0 HA GLN 1 42 -4.099 5.257 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -1.672 3.495 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -3.143 3.006 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -2.483 3.905 -5.979 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -2.007 5.414 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 -0.183 5.502 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 1.245 4.510 -6.310 1.00 0.00 H new ATOM 332 N LEU 1 43 -2.975 4.428 -0.732 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.349 3.933 0.586 1.00 0.00 C ATOM 334 C LEU 1 43 -4.531 4.716 1.146 1.00 0.00 C ATOM 335 O LEU 1 43 -5.369 4.168 1.863 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.157 4.026 1.544 1.00 0.00 C ATOM 337 CG LEU 1 43 -0.889 3.267 1.115 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.265 2.557 2.305 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.188 2.267 0.003 1.00 0.00 C ATOM 0 H LEU 1 43 -2.034 4.819 -0.780 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.645 2.889 0.486 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -1.901 5.078 1.674 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -2.469 3.651 2.519 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.180 3.999 0.728 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.631 2.026 1.983 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 0.002 3.290 3.067 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -0.979 1.846 2.720 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.271 1.748 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -1.923 1.542 0.353 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.585 2.795 -0.864 1.00 0.00 H new ATOM 351 N SER 1 44 -4.593 6.000 0.814 1.00 0.00 N ATOM 352 CA SER 1 44 -5.674 6.859 1.283 1.00 0.00 C ATOM 353 C SER 1 44 -6.933 6.669 0.440 1.00 0.00 C ATOM 354 O SER 1 44 -8.048 6.863 0.923 1.00 0.00 O ATOM 355 CB SER 1 44 -5.240 8.325 1.247 1.00 0.00 C ATOM 356 OG SER 1 44 -4.304 8.606 2.274 1.00 0.00 O ATOM 0 H SER 1 44 -3.908 6.469 0.222 1.00 0.00 H new ATOM 0 HA SER 1 44 -5.904 6.578 2.311 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -4.799 8.553 0.277 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -6.112 8.969 1.360 1.00 0.00 H new ATOM 0 HG SER 1 44 -4.041 9.549 2.228 1.00 0.00 H new ATOM 362 N THR 1 45 -6.748 6.294 -0.823 1.00 0.00 N ATOM 363 CA THR 1 45 -7.874 6.086 -1.731 1.00 0.00 C ATOM 364 C THR 1 45 -8.489 4.696 -1.559 1.00 0.00 C ATOM 365 O THR 1 45 -9.612 4.452 -2.002 1.00 0.00 O ATOM 366 CB THR 1 45 -7.429 6.283 -3.182 1.00 0.00 C ATOM 367 OG1 THR 1 45 -6.031 6.100 -3.307 1.00 0.00 O ATOM 368 CG2 THR 1 45 -7.764 7.654 -3.730 1.00 0.00 C ATOM 0 H THR 1 45 -5.832 6.128 -1.241 1.00 0.00 H new ATOM 0 HA THR 1 45 -8.637 6.824 -1.483 1.00 0.00 H new ATOM 0 HB THR 1 45 -7.978 5.536 -3.756 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -5.564 6.859 -2.900 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -7.421 7.727 -4.762 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -8.843 7.807 -3.694 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -7.269 8.417 -3.129 1.00 0.00 H new ATOM 376 N ILE 1 46 -7.752 3.787 -0.921 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.234 2.422 -0.700 1.00 0.00 C ATOM 378 C ILE 1 46 -9.686 2.408 -0.223 1.00 0.00 C ATOM 379 O ILE 1 46 -10.205 3.417 0.255 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.364 1.675 0.332 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -5.890 1.755 -0.063 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.806 0.220 0.451 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -4.986 0.906 0.799 1.00 0.00 C ATOM 0 H ILE 1 46 -6.820 3.970 -0.548 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.168 1.914 -1.662 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.491 2.152 1.304 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.784 1.444 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.563 2.793 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.181 -0.291 1.183 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.847 0.181 0.772 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -7.706 -0.271 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -3.955 1.013 0.461 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -5.063 1.231 1.837 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -5.287 -0.139 0.723 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.332 1.252 -0.353 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.721 1.088 0.065 1.00 0.00 C ATOM 397 C GLU 1 47 -11.863 1.120 1.590 1.00 0.00 C ATOM 398 O GLU 1 47 -12.965 0.975 2.118 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.283 -0.226 -0.479 1.00 0.00 C ATOM 400 CG GLU 1 47 -12.026 -0.429 -1.963 1.00 0.00 C ATOM 401 CD GLU 1 47 -13.221 -0.055 -2.818 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -14.256 -0.747 -2.727 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -13.120 0.929 -3.581 1.00 0.00 O ATOM 0 H GLU 1 47 -9.912 0.410 -0.747 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.288 1.925 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -11.844 -1.056 0.074 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.357 -0.255 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -11.167 0.170 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.767 -1.472 -2.144 1.00 0.00 H new ATOM 410 N SER 1 48 -10.746 1.303 2.297 1.00 0.00 N ATOM 411 CA SER 1 48 -10.751 1.344 3.759 1.00 0.00 C ATOM 412 C SER 1 48 -11.574 2.514 4.311 1.00 0.00 C ATOM 413 O SER 1 48 -11.538 2.787 5.511 1.00 0.00 O ATOM 414 CB SER 1 48 -9.316 1.428 4.288 1.00 0.00 C ATOM 415 OG SER 1 48 -8.372 1.296 3.238 1.00 0.00 O ATOM 0 H SER 1 48 -9.824 1.425 1.878 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.222 0.423 4.102 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -9.168 2.381 4.795 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.152 0.645 5.028 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.465 1.355 3.604 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.321 3.198 3.447 1.00 0.00 N ATOM 422 CA ASP 1 49 -13.152 4.324 3.865 1.00 0.00 C ATOM 423 C ASP 1 49 -14.388 3.851 4.635 1.00 0.00 C ATOM 424 O ASP 1 49 -15.457 4.452 4.528 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.581 5.145 2.648 1.00 0.00 C ATOM 426 CG ASP 1 49 -12.568 6.213 2.284 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -12.277 7.072 3.142 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -12.065 6.188 1.141 1.00 0.00 O ATOM 0 H ASP 1 49 -12.367 2.991 2.449 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.556 4.948 4.531 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -13.725 4.480 1.797 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -14.543 5.615 2.851 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.236 2.763 5.399 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.327 2.187 6.184 1.00 0.00 C ATOM 435 C GLU 1 50 -16.122 1.184 5.354 1.00 0.00 C ATOM 436 O GLU 1 50 -17.295 1.401 5.048 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.254 3.276 6.739 1.00 0.00 C ATOM 438 CG GLU 1 50 -16.669 3.035 8.179 1.00 0.00 C ATOM 439 CD GLU 1 50 -17.306 4.255 8.815 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -16.828 5.378 8.554 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -18.284 4.087 9.574 1.00 0.00 O ATOM 0 H GLU 1 50 -13.353 2.260 5.488 1.00 0.00 H new ATOM 0 HA GLU 1 50 -14.881 1.663 7.029 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -15.752 4.241 6.670 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.147 3.336 6.116 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -17.371 2.202 8.216 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -15.795 2.741 8.761 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.470 0.081 4.998 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.105 -0.966 4.209 1.00 0.00 C ATOM 450 C VAL 1 51 -15.861 -2.341 4.830 1.00 0.00 C ATOM 451 O VAL 1 51 -15.394 -2.444 5.964 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.603 -0.958 2.749 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.659 0.449 2.176 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.192 -1.520 2.655 1.00 0.00 C ATOM 0 H VAL 1 51 -14.499 -0.110 5.245 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.176 -0.762 4.206 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.260 -1.598 2.160 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.302 0.437 1.146 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.687 0.811 2.199 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -15.028 1.110 2.771 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.862 -1.503 1.616 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.518 -0.914 3.260 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.184 -2.546 3.022 1.00 0.00 H new ATOM 464 N THR 1 52 -16.176 -3.393 4.081 1.00 0.00 N ATOM 465 CA THR 1 52 -15.986 -4.757 4.563 1.00 0.00 C ATOM 466 C THR 1 52 -14.711 -5.366 3.982 1.00 0.00 C ATOM 467 O THR 1 52 -14.719 -5.890 2.868 1.00 0.00 O ATOM 468 CB THR 1 52 -17.192 -5.622 4.194 1.00 0.00 C ATOM 469 OG1 THR 1 52 -17.023 -6.946 4.666 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.443 -5.695 2.703 1.00 0.00 C ATOM 0 H THR 1 52 -16.563 -3.328 3.140 1.00 0.00 H new ATOM 0 HA THR 1 52 -15.890 -4.723 5.648 1.00 0.00 H new ATOM 0 HB THR 1 52 -18.048 -5.140 4.667 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -17.805 -7.483 4.421 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.312 -6.324 2.511 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -17.627 -4.693 2.316 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -16.570 -6.121 2.208 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.591 -5.303 4.726 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.312 -5.852 4.266 1.00 0.00 C ATOM 480 C PRO 1 53 -12.340 -7.372 4.144 1.00 0.00 C ATOM 481 O PRO 1 53 -12.526 -8.084 5.131 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.320 -5.420 5.350 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.152 -5.187 6.563 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.483 -4.695 6.065 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.055 -5.492 3.270 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -10.570 -6.190 5.528 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -10.786 -4.516 5.058 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.266 -6.105 7.140 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -11.686 -4.453 7.221 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.298 -5.010 6.717 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -13.517 -3.607 6.016 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.153 -7.859 2.923 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.154 -9.290 2.653 1.00 0.00 C ATOM 494 C ASP 1 54 -11.188 -9.623 1.522 1.00 0.00 C ATOM 495 O ASP 1 54 -10.504 -8.743 1.002 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.564 -9.767 2.298 1.00 0.00 C ATOM 497 CG ASP 1 54 -13.886 -11.119 2.902 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -12.939 -11.871 3.214 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -15.086 -11.426 3.064 1.00 0.00 O ATOM 0 H ASP 1 54 -11.998 -7.278 2.099 1.00 0.00 H new ATOM 0 HA ASP 1 54 -11.826 -9.807 3.555 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.291 -9.034 2.647 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.663 -9.823 1.214 1.00 0.00 H new ATOM 504 N ARG 1 55 -11.134 -10.900 1.149 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.248 -11.354 0.078 1.00 0.00 C ATOM 506 C ARG 1 55 -10.286 -10.403 -1.117 1.00 0.00 C ATOM 507 O ARG 1 55 -9.301 -10.261 -1.841 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.636 -12.767 -0.365 1.00 0.00 C ATOM 509 CG ARG 1 55 -9.458 -13.724 -0.444 1.00 0.00 C ATOM 510 CD ARG 1 55 -9.094 -14.274 0.926 1.00 0.00 C ATOM 511 NE ARG 1 55 -8.721 -15.686 0.868 1.00 0.00 N ATOM 512 CZ ARG 1 55 -9.598 -16.680 0.742 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -10.898 -16.421 0.662 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -9.174 -17.935 0.697 1.00 0.00 N ATOM 0 H ARG 1 55 -11.694 -11.640 1.573 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.230 -11.365 0.468 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -11.373 -13.168 0.331 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -11.116 -12.714 -1.342 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -9.701 -14.548 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -8.597 -13.209 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -8.267 -13.697 1.340 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -9.939 -14.150 1.603 1.00 0.00 H new ATOM 0 HE ARG 1 55 -7.731 -15.924 0.928 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -11.229 -15.457 0.697 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -11.565 -17.186 0.566 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -8.176 -18.139 0.759 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -9.845 -18.697 0.601 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.428 -9.752 -1.315 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.590 -8.812 -2.420 1.00 0.00 C ATOM 530 C ARG 1 56 -10.921 -7.480 -2.102 1.00 0.00 C ATOM 531 O ARG 1 56 -10.299 -6.864 -2.967 1.00 0.00 O ATOM 532 CB ARG 1 56 -13.073 -8.591 -2.732 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.948 -8.447 -1.496 1.00 0.00 C ATOM 534 CD ARG 1 56 -14.775 -9.699 -1.247 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.606 -9.577 -0.052 1.00 0.00 N ATOM 536 CZ ARG 1 56 -16.463 -10.512 0.354 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -16.604 -11.637 -0.336 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -17.181 -10.321 1.452 1.00 0.00 N ATOM 0 H ARG 1 56 -12.254 -9.857 -0.726 1.00 0.00 H new ATOM 0 HA ARG 1 56 -11.108 -9.243 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -13.176 -7.695 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.438 -9.428 -3.328 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -13.321 -8.245 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -14.611 -7.590 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -15.410 -9.892 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -14.111 -10.557 -1.141 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.525 -8.726 0.504 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -16.054 -11.789 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -17.262 -12.350 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -17.077 -9.458 1.986 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -17.837 -11.037 1.763 1.00 0.00 H new ATOM 552 N PHE 1 57 -11.038 -7.049 -0.851 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.428 -5.800 -0.415 1.00 0.00 C ATOM 554 C PHE 1 57 -8.917 -5.925 -0.505 1.00 0.00 C ATOM 555 O PHE 1 57 -8.226 -5.024 -0.981 1.00 0.00 O ATOM 556 CB PHE 1 57 -10.851 -5.484 1.022 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.454 -4.113 1.497 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.119 -3.765 1.624 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.421 -3.176 1.824 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.756 -2.508 2.068 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.064 -1.917 2.268 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.729 -1.583 2.390 1.00 0.00 C ATOM 0 H PHE 1 57 -11.549 -7.546 -0.122 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.761 -4.986 -1.059 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -11.934 -5.583 1.100 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.414 -6.227 1.689 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.353 -4.484 1.373 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.466 -3.433 1.731 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.712 -2.249 2.163 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.827 -1.195 2.519 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.447 -0.600 2.737 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.420 -7.069 -0.052 1.00 0.00 N ATOM 573 CA ARG 1 58 -7.001 -7.368 -0.076 1.00 0.00 C ATOM 574 C ARG 1 58 -6.416 -7.165 -1.472 1.00 0.00 C ATOM 575 O ARG 1 58 -5.535 -6.328 -1.672 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.801 -8.813 0.372 1.00 0.00 C ATOM 577 CG ARG 1 58 -5.936 -8.955 1.605 1.00 0.00 C ATOM 578 CD ARG 1 58 -6.648 -8.446 2.848 1.00 0.00 C ATOM 579 NE ARG 1 58 -6.069 -8.993 4.073 1.00 0.00 N ATOM 580 CZ ARG 1 58 -6.706 -9.030 5.242 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -7.940 -8.555 5.350 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -6.106 -9.546 6.306 1.00 0.00 N ATOM 0 H ARG 1 58 -8.994 -7.814 0.342 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.482 -6.688 0.600 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.775 -9.261 0.569 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.350 -9.378 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -5.666 -10.002 1.742 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.007 -8.402 1.465 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -6.595 -7.358 2.876 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -7.704 -8.712 2.796 1.00 0.00 H new ATOM 0 HE ARG 1 58 -5.122 -9.368 4.030 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -8.407 -8.158 4.535 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -8.422 -8.587 6.248 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -5.158 -9.914 6.228 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -6.593 -9.575 7.202 1.00 0.00 H new ATOM 596 N ALA 1 59 -6.909 -7.941 -2.432 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.436 -7.856 -3.809 1.00 0.00 C ATOM 598 C ALA 1 59 -6.579 -6.441 -4.360 1.00 0.00 C ATOM 599 O ALA 1 59 -5.686 -5.937 -5.040 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.189 -8.844 -4.687 1.00 0.00 C ATOM 0 H ALA 1 59 -7.638 -8.638 -2.281 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.376 -8.111 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -6.826 -8.770 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.027 -9.856 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.254 -8.615 -4.662 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.707 -5.803 -4.061 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.962 -4.444 -4.527 1.00 0.00 C ATOM 608 C ARG 1 60 -6.829 -3.512 -4.113 1.00 0.00 C ATOM 609 O ARG 1 60 -6.379 -2.675 -4.897 1.00 0.00 O ATOM 610 CB ARG 1 60 -9.291 -3.932 -3.970 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.507 -4.634 -4.553 1.00 0.00 C ATOM 612 CD ARG 1 60 -11.226 -3.757 -5.567 1.00 0.00 C ATOM 613 NE ARG 1 60 -12.616 -4.165 -5.755 1.00 0.00 N ATOM 614 CZ ARG 1 60 -13.553 -4.061 -4.815 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -13.254 -3.562 -3.622 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -14.793 -4.457 -5.069 1.00 0.00 N ATOM 0 H ARG 1 60 -8.458 -6.205 -3.499 1.00 0.00 H new ATOM 0 HA ARG 1 60 -8.018 -4.461 -5.615 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.294 -4.058 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -9.370 -2.863 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.197 -5.564 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -11.194 -4.901 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -11.194 -2.719 -5.236 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -10.702 -3.803 -6.522 1.00 0.00 H new ATOM 0 HE ARG 1 60 -12.884 -4.552 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -12.302 -3.256 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -13.976 -3.485 -2.906 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -15.028 -4.841 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -15.511 -4.378 -4.349 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.369 -3.669 -2.877 1.00 0.00 N ATOM 631 CA VAL 1 61 -5.285 -2.849 -2.354 1.00 0.00 C ATOM 632 C VAL 1 61 -3.960 -3.218 -3.005 1.00 0.00 C ATOM 633 O VAL 1 61 -3.226 -2.352 -3.480 1.00 0.00 O ATOM 634 CB VAL 1 61 -5.146 -3.004 -0.830 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.178 -1.972 -0.276 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.503 -2.894 -0.153 1.00 0.00 C ATOM 0 H VAL 1 61 -6.731 -4.358 -2.218 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.533 -1.813 -2.587 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.744 -3.995 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -4.092 -2.096 0.803 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.199 -2.107 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.548 -0.971 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.382 -3.006 0.924 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.940 -1.919 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -7.161 -3.678 -0.528 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.657 -4.512 -3.020 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.416 -4.997 -3.608 1.00 0.00 C ATOM 648 C ASP 1 62 -2.307 -4.575 -5.068 1.00 0.00 C ATOM 649 O ASP 1 62 -1.219 -4.268 -5.557 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.331 -6.521 -3.496 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.022 -7.072 -4.030 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.185 -6.270 -4.495 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -0.835 -8.306 -3.983 1.00 0.00 O ATOM 0 H ASP 1 62 -4.254 -5.242 -2.632 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.586 -4.555 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -2.445 -6.812 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -3.160 -6.969 -4.044 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.440 -4.559 -5.759 1.00 0.00 N ATOM 659 CA ASP 1 63 -3.472 -4.170 -7.162 1.00 0.00 C ATOM 660 C ASP 1 63 -3.169 -2.685 -7.314 1.00 0.00 C ATOM 661 O ASP 1 63 -2.336 -2.293 -8.131 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.837 -4.491 -7.772 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.788 -4.580 -9.285 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -3.846 -5.207 -9.813 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -5.692 -4.022 -9.942 1.00 0.00 O ATOM 0 H ASP 1 63 -4.349 -4.811 -5.370 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.707 -4.737 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -5.200 -5.436 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -5.553 -3.723 -7.479 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.846 -1.862 -6.519 1.00 0.00 N ATOM 671 CA ALA 1 64 -3.641 -0.419 -6.566 1.00 0.00 C ATOM 672 C ALA 1 64 -2.173 -0.077 -6.344 1.00 0.00 C ATOM 673 O ALA 1 64 -1.536 0.538 -7.199 1.00 0.00 O ATOM 674 CB ALA 1 64 -4.513 0.277 -5.532 1.00 0.00 C ATOM 0 H ALA 1 64 -4.539 -2.169 -5.837 1.00 0.00 H new ATOM 0 HA ALA 1 64 -3.929 -0.064 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -4.347 1.353 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -5.562 0.062 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -4.256 -0.085 -4.536 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.630 -0.492 -5.200 1.00 0.00 N ATOM 681 CA ILE 1 65 -0.228 -0.238 -4.891 1.00 0.00 C ATOM 682 C ILE 1 65 0.648 -0.649 -6.061 1.00 0.00 C ATOM 683 O ILE 1 65 1.412 0.151 -6.589 1.00 0.00 O ATOM 684 CB ILE 1 65 0.221 -1.010 -3.633 1.00 0.00 C ATOM 685 CG1 ILE 1 65 -0.492 -0.462 -2.399 1.00 0.00 C ATOM 686 CG2 ILE 1 65 1.734 -0.928 -3.456 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.975 -1.535 -1.449 1.00 0.00 C ATOM 0 H ILE 1 65 -2.138 -1.002 -4.477 1.00 0.00 H new ATOM 0 HA ILE 1 65 -0.122 0.830 -4.702 1.00 0.00 H new ATOM 0 HB ILE 1 65 -0.048 -2.059 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.185 0.205 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -1.344 0.138 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.026 -1.480 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.226 -1.361 -4.327 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.032 0.115 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.471 -1.070 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.678 -2.189 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -0.125 -2.120 -1.099 1.00 0.00 H new ATOM 699 N ARG 1 66 0.518 -1.905 -6.462 1.00 0.00 N ATOM 700 CA ARG 1 66 1.282 -2.438 -7.574 1.00 0.00 C ATOM 701 C ARG 1 66 1.068 -1.594 -8.826 1.00 0.00 C ATOM 702 O ARG 1 66 1.968 -1.455 -9.650 1.00 0.00 O ATOM 703 CB ARG 1 66 0.856 -3.881 -7.835 1.00 0.00 C ATOM 704 CG ARG 1 66 1.716 -4.594 -8.861 1.00 0.00 C ATOM 705 CD ARG 1 66 0.977 -5.762 -9.494 1.00 0.00 C ATOM 706 NE ARG 1 66 1.261 -7.023 -8.813 1.00 0.00 N ATOM 707 CZ ARG 1 66 0.594 -8.153 -9.037 1.00 0.00 C ATOM 708 NH1 ARG 1 66 -0.396 -8.184 -9.920 1.00 0.00 N ATOM 709 NH2 ARG 1 66 0.917 -9.255 -8.375 1.00 0.00 N ATOM 0 H ARG 1 66 -0.115 -2.577 -6.028 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.342 -2.411 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 0.889 -4.436 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 -0.180 -3.889 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 2.018 -3.890 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 2.628 -4.954 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 -0.096 -5.569 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 1.261 -5.845 -10.543 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.014 -7.038 -8.126 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 -0.650 -7.339 -10.432 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 -0.903 -9.053 -10.087 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 1.676 -9.237 -7.694 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 0.406 -10.121 -8.546 1.00 0.00 H new ATOM 723 N GLU 1 67 -0.126 -1.020 -8.953 1.00 0.00 N ATOM 724 CA GLU 1 67 -0.450 -0.179 -10.092 1.00 0.00 C ATOM 725 C GLU 1 67 0.453 1.047 -10.087 1.00 0.00 C ATOM 726 O GLU 1 67 1.241 1.256 -11.009 1.00 0.00 O ATOM 727 CB GLU 1 67 -1.946 0.196 -10.042 1.00 0.00 C ATOM 728 CG GLU 1 67 -2.244 1.675 -9.840 1.00 0.00 C ATOM 729 CD GLU 1 67 -3.608 2.073 -10.369 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -3.863 1.857 -11.573 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -4.420 2.599 -9.581 1.00 0.00 O ATOM 0 H GLU 1 67 -0.883 -1.125 -8.278 1.00 0.00 H new ATOM 0 HA GLU 1 67 -0.275 -0.713 -11.026 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -2.415 -0.128 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -2.417 -0.365 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -2.188 1.911 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -1.478 2.268 -10.340 1.00 0.00 H new ATOM 738 N GLY 1 68 0.353 1.839 -9.027 1.00 0.00 N ATOM 739 CA GLY 1 68 1.191 3.012 -8.909 1.00 0.00 C ATOM 740 C GLY 1 68 2.646 2.620 -8.791 1.00 0.00 C ATOM 741 O GLY 1 68 3.512 3.191 -9.450 1.00 0.00 O ATOM 0 H GLY 1 68 -0.291 1.689 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 1.052 3.654 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 0.893 3.591 -8.035 1.00 0.00 H new ATOM 745 N LEU 1 69 2.903 1.617 -7.957 1.00 0.00 N ATOM 746 CA LEU 1 69 4.251 1.104 -7.748 1.00 0.00 C ATOM 747 C LEU 1 69 4.855 0.673 -9.073 1.00 0.00 C ATOM 748 O LEU 1 69 6.050 0.849 -9.314 1.00 0.00 O ATOM 749 CB LEU 1 69 4.218 -0.084 -6.766 1.00 0.00 C ATOM 750 CG LEU 1 69 4.120 0.289 -5.279 1.00 0.00 C ATOM 751 CD1 LEU 1 69 4.625 -0.854 -4.414 1.00 0.00 C ATOM 752 CD2 LEU 1 69 4.907 1.562 -4.981 1.00 0.00 C ATOM 0 H LEU 1 69 2.186 1.140 -7.410 1.00 0.00 H new ATOM 0 HA LEU 1 69 4.868 1.895 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 3.369 -0.719 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 5.118 -0.680 -6.914 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.072 0.474 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 4.550 -0.576 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.022 -1.743 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 5.666 -1.064 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 4.821 1.803 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 5.956 1.409 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 4.507 2.384 -5.574 1.00 0.00 H new ATOM 764 N LYS 1 70 4.014 0.116 -9.934 1.00 0.00 N ATOM 765 CA LYS 1 70 4.451 -0.340 -11.242 1.00 0.00 C ATOM 766 C LYS 1 70 4.859 0.839 -12.119 1.00 0.00 C ATOM 767 O LYS 1 70 5.688 0.702 -13.019 1.00 0.00 O ATOM 768 CB LYS 1 70 3.339 -1.144 -11.922 1.00 0.00 C ATOM 769 CG LYS 1 70 3.621 -1.477 -13.378 1.00 0.00 C ATOM 770 CD LYS 1 70 2.918 -2.755 -13.802 1.00 0.00 C ATOM 771 CE LYS 1 70 2.352 -2.636 -15.206 1.00 0.00 C ATOM 772 NZ LYS 1 70 1.615 -3.864 -15.614 1.00 0.00 N ATOM 0 H LYS 1 70 3.022 -0.030 -9.747 1.00 0.00 H new ATOM 0 HA LYS 1 70 5.320 -0.983 -11.106 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 3.186 -2.072 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 2.408 -0.580 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 3.293 -0.653 -14.011 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 4.695 -1.585 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 3.619 -3.589 -13.760 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 2.114 -2.979 -13.101 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 1.682 -1.777 -15.256 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.163 -2.449 -15.910 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 1.244 -3.742 -16.578 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 2.260 -4.680 -15.591 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 0.825 -4.029 -14.958 1.00 0.00 H new ATOM 786 N ALA 1 71 4.259 1.992 -11.855 1.00 0.00 N ATOM 787 CA ALA 1 71 4.541 3.198 -12.623 1.00 0.00 C ATOM 788 C ALA 1 71 5.718 3.992 -12.053 1.00 0.00 C ATOM 789 O ALA 1 71 6.118 5.006 -12.626 1.00 0.00 O ATOM 790 CB ALA 1 71 3.296 4.070 -12.683 1.00 0.00 C ATOM 0 H ALA 1 71 3.571 2.118 -11.112 1.00 0.00 H new ATOM 0 HA ALA 1 71 4.825 2.888 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 3.510 4.971 -13.258 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 2.488 3.518 -13.162 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 2.997 4.347 -11.672 1.00 0.00 H new ATOM 796 N LEU 1 72 6.262 3.551 -10.920 1.00 0.00 N ATOM 797 CA LEU 1 72 7.376 4.261 -10.295 1.00 0.00 C ATOM 798 C LEU 1 72 8.652 3.426 -10.267 1.00 0.00 C ATOM 799 O LEU 1 72 9.570 3.713 -9.499 1.00 0.00 O ATOM 800 CB LEU 1 72 7.001 4.685 -8.877 1.00 0.00 C ATOM 801 CG LEU 1 72 5.549 5.121 -8.708 1.00 0.00 C ATOM 802 CD1 LEU 1 72 4.975 4.583 -7.409 1.00 0.00 C ATOM 803 CD2 LEU 1 72 5.435 6.637 -8.759 1.00 0.00 C ATOM 0 H LEU 1 72 5.954 2.716 -10.421 1.00 0.00 H new ATOM 0 HA LEU 1 72 7.576 5.144 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.199 3.854 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 7.651 5.506 -8.573 1.00 0.00 H new ATOM 0 HG LEU 1 72 4.970 4.707 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 3.939 4.905 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 5.017 3.494 -7.416 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 5.557 4.963 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 4.392 6.928 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 6.030 7.074 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 5.802 6.997 -9.720 1.00 0.00 H new ATOM 815 N GLY 1 73 8.717 2.406 -11.113 1.00 0.00 N ATOM 816 CA GLY 1 73 9.908 1.572 -11.163 1.00 0.00 C ATOM 817 C GLY 1 73 9.636 0.095 -10.959 1.00 0.00 C ATOM 818 O GLY 1 73 10.512 -0.734 -11.203 1.00 0.00 O ATOM 0 H GLY 1 73 7.975 2.141 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 10.396 1.711 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 10.608 1.911 -10.400 1.00 0.00 H new ATOM 822 N TYR 1 74 8.438 -0.247 -10.505 1.00 0.00 N ATOM 823 CA TYR 1 74 8.098 -1.642 -10.267 1.00 0.00 C ATOM 824 C TYR 1 74 7.255 -2.220 -11.398 1.00 0.00 C ATOM 825 O TYR 1 74 6.807 -1.498 -12.289 1.00 0.00 O ATOM 826 CB TYR 1 74 7.358 -1.772 -8.942 1.00 0.00 C ATOM 827 CG TYR 1 74 8.160 -1.283 -7.756 1.00 0.00 C ATOM 828 CD1 TYR 1 74 9.413 -1.811 -7.475 1.00 0.00 C ATOM 829 CD2 TYR 1 74 7.664 -0.291 -6.919 1.00 0.00 C ATOM 830 CE1 TYR 1 74 10.149 -1.365 -6.393 1.00 0.00 C ATOM 831 CE2 TYR 1 74 8.393 0.159 -5.836 1.00 0.00 C ATOM 832 CZ TYR 1 74 9.634 -0.381 -5.577 1.00 0.00 C ATOM 833 OH TYR 1 74 10.364 0.064 -4.499 1.00 0.00 O ATOM 0 H TYR 1 74 7.692 0.416 -10.296 1.00 0.00 H new ATOM 0 HA TYR 1 74 9.026 -2.212 -10.226 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 6.426 -1.209 -8.998 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 7.091 -2.817 -8.785 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 9.819 -2.583 -8.112 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 6.692 0.135 -7.119 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 11.122 -1.786 -6.188 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 7.992 0.930 -5.195 1.00 0.00 H new ATOM 0 HH TYR 1 74 11.321 -0.018 -4.695 1.00 0.00 H new ATOM 843 N TYR 1 75 7.043 -3.532 -11.352 1.00 0.00 N ATOM 844 CA TYR 1 75 6.247 -4.217 -12.363 1.00 0.00 C ATOM 845 C TYR 1 75 5.123 -5.017 -11.712 1.00 0.00 C ATOM 846 O TYR 1 75 3.987 -5.006 -12.185 1.00 0.00 O ATOM 847 CB TYR 1 75 7.129 -5.133 -13.206 1.00 0.00 C ATOM 848 CG TYR 1 75 7.767 -4.428 -14.378 1.00 0.00 C ATOM 849 CD1 TYR 1 75 7.004 -4.015 -15.462 1.00 0.00 C ATOM 850 CD2 TYR 1 75 9.130 -4.171 -14.398 1.00 0.00 C ATOM 851 CE1 TYR 1 75 7.582 -3.367 -16.536 1.00 0.00 C ATOM 852 CE2 TYR 1 75 9.718 -3.522 -15.467 1.00 0.00 C ATOM 853 CZ TYR 1 75 8.939 -3.122 -16.534 1.00 0.00 C ATOM 854 OH TYR 1 75 9.520 -2.476 -17.601 1.00 0.00 O ATOM 0 H TYR 1 75 7.413 -4.142 -10.623 1.00 0.00 H new ATOM 0 HA TYR 1 75 5.802 -3.465 -13.015 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 7.911 -5.556 -12.575 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 6.530 -5.966 -13.573 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 5.941 -4.204 -15.465 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 9.742 -4.483 -13.564 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 6.975 -3.054 -17.372 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 10.781 -3.329 -15.468 1.00 0.00 H new ATOM 0 HH TYR 1 75 10.482 -2.381 -17.441 1.00 0.00 H new ATOM 864 N GLN 1 76 5.439 -5.706 -10.619 1.00 0.00 N ATOM 865 CA GLN 1 76 4.442 -6.498 -9.910 1.00 0.00 C ATOM 866 C GLN 1 76 4.889 -6.820 -8.482 1.00 0.00 C ATOM 867 O GLN 1 76 4.922 -7.985 -8.084 1.00 0.00 O ATOM 868 CB GLN 1 76 4.158 -7.795 -10.671 1.00 0.00 C ATOM 869 CG GLN 1 76 5.390 -8.411 -11.315 1.00 0.00 C ATOM 870 CD GLN 1 76 5.046 -9.531 -12.277 1.00 0.00 C ATOM 871 OE1 GLN 1 76 5.038 -9.340 -13.493 1.00 0.00 O ATOM 872 NE2 GLN 1 76 4.759 -10.709 -11.736 1.00 0.00 N ATOM 0 H GLN 1 76 6.372 -5.731 -10.208 1.00 0.00 H new ATOM 0 HA GLN 1 76 3.530 -5.904 -9.851 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 3.718 -8.519 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 3.416 -7.596 -11.444 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 5.943 -7.637 -11.847 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 6.049 -8.795 -10.536 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 4.778 -10.823 -10.723 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 4.520 -11.500 -12.334 1.00 0.00 H new ATOM 881 N PRO 1 77 5.238 -5.792 -7.685 1.00 0.00 N ATOM 882 CA PRO 1 77 5.677 -5.986 -6.299 1.00 0.00 C ATOM 883 C PRO 1 77 4.677 -6.773 -5.466 1.00 0.00 C ATOM 884 O PRO 1 77 3.483 -6.475 -5.472 1.00 0.00 O ATOM 885 CB PRO 1 77 5.787 -4.561 -5.753 1.00 0.00 C ATOM 886 CG PRO 1 77 6.008 -3.713 -6.947 1.00 0.00 C ATOM 887 CD PRO 1 77 5.240 -4.365 -8.064 1.00 0.00 C ATOM 0 HA PRO 1 77 6.604 -6.558 -6.257 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 4.880 -4.269 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 6.612 -4.471 -5.046 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 5.657 -2.696 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.069 -3.648 -7.189 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 4.228 -3.968 -8.142 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 5.720 -4.206 -9.029 1.00 0.00 H new ATOM 895 N THR 1 78 5.170 -7.761 -4.728 1.00 0.00 N ATOM 896 CA THR 1 78 4.305 -8.554 -3.870 1.00 0.00 C ATOM 897 C THR 1 78 3.910 -7.723 -2.658 1.00 0.00 C ATOM 898 O THR 1 78 4.712 -7.518 -1.747 1.00 0.00 O ATOM 899 CB THR 1 78 5.014 -9.835 -3.427 1.00 0.00 C ATOM 900 OG1 THR 1 78 5.655 -10.460 -4.525 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.080 -10.850 -2.802 1.00 0.00 C ATOM 0 H THR 1 78 6.154 -8.028 -4.708 1.00 0.00 H new ATOM 0 HA THR 1 78 3.411 -8.838 -4.425 1.00 0.00 H new ATOM 0 HB THR 1 78 5.738 -9.519 -2.676 1.00 0.00 H new ATOM 0 HG1 THR 1 78 6.104 -11.276 -4.220 1.00 0.00 H new ATOM 0 HG21 THR 1 78 4.646 -11.734 -2.510 1.00 0.00 H new ATOM 0 HG22 THR 1 78 3.607 -10.415 -1.921 1.00 0.00 H new ATOM 0 HG23 THR 1 78 3.313 -11.132 -3.524 1.00 0.00 H new ATOM 909 N ILE 1 79 2.681 -7.223 -2.664 1.00 0.00 N ATOM 910 CA ILE 1 79 2.199 -6.388 -1.575 1.00 0.00 C ATOM 911 C ILE 1 79 1.130 -7.094 -0.749 1.00 0.00 C ATOM 912 O ILE 1 79 -0.004 -7.271 -1.195 1.00 0.00 O ATOM 913 CB ILE 1 79 1.642 -5.052 -2.112 1.00 0.00 C ATOM 914 CG1 ILE 1 79 2.708 -4.341 -2.954 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.184 -4.162 -0.963 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.220 -3.902 -4.320 1.00 0.00 C ATOM 0 H ILE 1 79 2.003 -7.381 -3.409 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.052 -6.187 -0.927 1.00 0.00 H new ATOM 0 HB ILE 1 79 0.779 -5.260 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.065 -3.467 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 3.561 -5.008 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 0.795 -3.225 -1.361 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.401 -4.670 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.028 -3.954 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.031 -3.407 -4.854 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 1.891 -4.773 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.387 -3.209 -4.203 1.00 0.00 H new ATOM 928 N GLU 1 80 1.504 -7.483 0.466 1.00 0.00 N ATOM 929 CA GLU 1 80 0.586 -8.158 1.375 1.00 0.00 C ATOM 930 C GLU 1 80 0.062 -7.176 2.415 1.00 0.00 C ATOM 931 O GLU 1 80 0.519 -6.034 2.483 1.00 0.00 O ATOM 932 CB GLU 1 80 1.282 -9.332 2.066 1.00 0.00 C ATOM 933 CG GLU 1 80 1.395 -10.571 1.194 1.00 0.00 C ATOM 934 CD GLU 1 80 2.132 -10.306 -0.104 1.00 0.00 C ATOM 935 OE1 GLU 1 80 1.496 -9.809 -1.058 1.00 0.00 O ATOM 936 OE2 GLU 1 80 3.346 -10.594 -0.168 1.00 0.00 O ATOM 0 H GLU 1 80 2.441 -7.341 0.844 1.00 0.00 H new ATOM 0 HA GLU 1 80 -0.253 -8.544 0.796 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.281 -9.022 2.373 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 0.734 -9.585 2.973 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 1.912 -11.354 1.748 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 0.396 -10.945 0.970 1.00 0.00 H new ATOM 943 N PHE 1 81 -0.899 -7.614 3.221 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.470 -6.746 4.244 1.00 0.00 C ATOM 945 C PHE 1 81 -1.813 -7.513 5.516 1.00 0.00 C ATOM 946 O PHE 1 81 -2.206 -8.679 5.471 1.00 0.00 O ATOM 947 CB PHE 1 81 -2.720 -6.047 3.707 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.562 -5.517 2.311 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -1.835 -4.362 2.076 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -3.140 -6.172 1.236 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.687 -3.870 0.795 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.996 -5.684 -0.048 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.268 -4.532 -0.268 1.00 0.00 C ATOM 0 H PHE 1 81 -1.295 -8.553 3.187 1.00 0.00 H new ATOM 0 HA PHE 1 81 -0.715 -6.002 4.497 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.555 -6.748 3.728 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -2.979 -5.223 4.372 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -1.379 -3.840 2.904 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.710 -7.074 1.404 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.117 -2.968 0.624 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -3.452 -6.203 -0.878 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -2.153 -4.149 -1.271 1.00 0.00 H new ATOM 963 N ASP 1 82 -1.670 -6.834 6.650 1.00 0.00 N ATOM 964 CA ASP 1 82 -1.970 -7.422 7.949 1.00 0.00 C ATOM 965 C ASP 1 82 -2.988 -6.562 8.691 1.00 0.00 C ATOM 966 O ASP 1 82 -2.643 -5.529 9.265 1.00 0.00 O ATOM 967 CB ASP 1 82 -0.694 -7.561 8.780 1.00 0.00 C ATOM 968 CG ASP 1 82 -0.905 -8.395 10.028 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -2.069 -8.540 10.456 1.00 0.00 O ATOM 970 OD2 ASP 1 82 0.095 -8.904 10.578 1.00 0.00 O ATOM 0 H ASP 1 82 -1.345 -5.868 6.694 1.00 0.00 H new ATOM 0 HA ASP 1 82 -2.392 -8.415 7.792 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 0.086 -8.016 8.170 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -0.339 -6.570 9.064 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.246 -6.983 8.649 1.00 0.00 N ATOM 976 CA LEU 1 83 -5.330 -6.249 9.290 1.00 0.00 C ATOM 977 C LEU 1 83 -5.282 -6.358 10.813 1.00 0.00 C ATOM 978 O LEU 1 83 -4.841 -7.364 11.368 1.00 0.00 O ATOM 979 CB LEU 1 83 -6.670 -6.771 8.775 1.00 0.00 C ATOM 980 CG LEU 1 83 -7.872 -5.846 8.976 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -7.510 -4.395 8.682 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -9.019 -6.300 8.089 1.00 0.00 C ATOM 0 H LEU 1 83 -4.542 -7.836 8.174 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.213 -5.195 9.037 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.571 -6.979 7.710 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -6.881 -7.720 9.267 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.180 -5.902 10.020 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -8.385 -3.764 8.834 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -6.712 -4.076 9.352 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -7.174 -4.306 7.649 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -9.874 -5.640 8.234 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -8.707 -6.266 7.045 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.300 -7.320 8.351 1.00 0.00 H new ATOM 994 N ARG 1 84 -5.755 -5.304 11.472 1.00 0.00 N ATOM 995 CA ARG 1 84 -5.798 -5.241 12.927 1.00 0.00 C ATOM 996 C ARG 1 84 -7.078 -4.552 13.378 1.00 0.00 C ATOM 997 O ARG 1 84 -7.069 -3.371 13.719 1.00 0.00 O ATOM 998 CB ARG 1 84 -4.590 -4.480 13.474 1.00 0.00 C ATOM 999 CG ARG 1 84 -3.296 -5.265 13.405 1.00 0.00 C ATOM 1000 CD ARG 1 84 -2.600 -5.065 12.073 1.00 0.00 C ATOM 1001 NE ARG 1 84 -1.147 -5.167 12.193 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -0.505 -6.295 12.488 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -1.180 -7.421 12.683 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 0.818 -6.299 12.586 1.00 0.00 N ATOM 0 H ARG 1 84 -6.119 -4.470 11.011 1.00 0.00 H new ATOM 0 HA ARG 1 84 -5.774 -6.260 13.314 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -4.472 -3.552 12.915 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -4.783 -4.205 14.511 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -2.635 -4.952 14.213 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -3.503 -6.325 13.554 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -2.958 -5.809 11.362 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -2.863 -4.087 11.670 1.00 0.00 H new ATOM 0 HE ARG 1 84 -0.592 -4.324 12.042 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -2.197 -7.426 12.607 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -0.682 -8.282 12.909 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 1.343 -5.438 12.435 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 1.310 -7.163 12.812 1.00 0.00 H new ATOM 1018 N PRO 1 85 -8.201 -5.284 13.379 1.00 0.00 N ATOM 1019 CA PRO 1 85 -9.498 -4.742 13.785 1.00 0.00 C ATOM 1020 C PRO 1 85 -9.433 -3.907 15.066 1.00 0.00 C ATOM 1021 O PRO 1 85 -10.131 -2.900 15.185 1.00 0.00 O ATOM 1022 CB PRO 1 85 -10.341 -5.996 14.008 1.00 0.00 C ATOM 1023 CG PRO 1 85 -9.770 -7.002 13.070 1.00 0.00 C ATOM 1024 CD PRO 1 85 -8.296 -6.703 12.980 1.00 0.00 C ATOM 0 HA PRO 1 85 -9.898 -4.057 13.037 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -10.279 -6.337 15.041 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -11.394 -5.809 13.797 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -9.940 -8.015 13.435 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -10.242 -6.932 12.090 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -7.716 -7.345 13.643 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -7.916 -6.861 11.971 1.00 0.00 H new ATOM 1032 N PRO 1 86 -8.623 -4.324 16.059 1.00 0.00 N ATOM 1033 CA PRO 1 86 -8.499 -3.634 17.332 1.00 0.00 C ATOM 1034 C PRO 1 86 -7.225 -2.792 17.458 1.00 0.00 C ATOM 1035 O PRO 1 86 -6.353 -3.103 18.269 1.00 0.00 O ATOM 1036 CB PRO 1 86 -8.445 -4.817 18.299 1.00 0.00 C ATOM 1037 CG PRO 1 86 -7.811 -5.941 17.520 1.00 0.00 C ATOM 1038 CD PRO 1 86 -7.783 -5.523 16.064 1.00 0.00 C ATOM 0 HA PRO 1 86 -9.302 -2.916 17.498 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -7.859 -4.574 19.185 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -9.443 -5.090 18.642 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -6.802 -6.138 17.882 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -8.380 -6.863 17.644 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -6.770 -5.309 15.723 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -8.182 -6.300 15.412 1.00 0.00 H new ATOM 1046 N PRO 1 87 -7.093 -1.707 16.670 1.00 0.00 N ATOM 1047 CA PRO 1 87 -5.912 -0.838 16.732 1.00 0.00 C ATOM 1048 C PRO 1 87 -5.849 -0.048 18.034 1.00 0.00 C ATOM 1049 O PRO 1 87 -6.783 -0.078 18.836 1.00 0.00 O ATOM 1050 CB PRO 1 87 -6.094 0.107 15.547 1.00 0.00 C ATOM 1051 CG PRO 1 87 -7.561 0.131 15.306 1.00 0.00 C ATOM 1052 CD PRO 1 87 -8.070 -1.236 15.672 1.00 0.00 C ATOM 0 HA PRO 1 87 -4.985 -1.410 16.695 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -5.713 1.103 15.773 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -5.554 -0.249 14.670 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -8.042 0.900 15.911 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -7.780 0.362 14.263 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -9.078 -1.192 16.085 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -8.109 -1.896 14.805 1.00 0.00 H new ATOM 1060 N LYS 1 88 -4.740 0.652 18.243 1.00 0.00 N ATOM 1061 CA LYS 1 88 -4.553 1.442 19.454 1.00 0.00 C ATOM 1062 C LYS 1 88 -4.911 2.914 19.238 1.00 0.00 C ATOM 1063 O LYS 1 88 -5.265 3.615 20.185 1.00 0.00 O ATOM 1064 CB LYS 1 88 -3.105 1.304 19.954 1.00 0.00 C ATOM 1065 CG LYS 1 88 -2.176 2.446 19.548 1.00 0.00 C ATOM 1066 CD LYS 1 88 -1.983 2.511 18.040 1.00 0.00 C ATOM 1067 CE LYS 1 88 -0.513 2.622 17.670 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -0.299 3.530 16.509 1.00 0.00 N ATOM 0 H LYS 1 88 -3.957 0.689 17.590 1.00 0.00 H new ATOM 0 HA LYS 1 88 -5.233 1.054 20.213 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -3.116 1.233 21.042 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -2.693 0.368 19.577 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.586 3.391 19.903 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -1.208 2.317 20.033 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -2.409 1.620 17.579 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -2.526 3.367 17.639 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 0.050 2.990 18.527 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -0.123 1.632 17.433 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 0.716 3.578 16.289 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -0.816 3.165 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -0.648 4.481 16.743 1.00 0.00 H new ATOM 1082 N LYS 1 89 -4.792 3.386 18.000 1.00 0.00 N ATOM 1083 CA LYS 1 89 -5.080 4.786 17.695 1.00 0.00 C ATOM 1084 C LYS 1 89 -6.023 4.943 16.512 1.00 0.00 C ATOM 1085 O LYS 1 89 -5.928 5.917 15.765 1.00 0.00 O ATOM 1086 CB LYS 1 89 -3.781 5.540 17.417 1.00 0.00 C ATOM 1087 CG LYS 1 89 -3.927 7.051 17.487 1.00 0.00 C ATOM 1088 CD LYS 1 89 -3.513 7.588 18.847 1.00 0.00 C ATOM 1089 CE LYS 1 89 -3.494 9.108 18.864 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -2.368 9.641 19.680 1.00 0.00 N ATOM 0 H LYS 1 89 -4.501 2.827 17.198 1.00 0.00 H new ATOM 0 HA LYS 1 89 -5.577 5.206 18.569 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.026 5.223 18.136 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -3.415 5.264 16.428 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -3.317 7.513 16.711 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.962 7.327 17.285 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.202 7.223 19.608 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -2.524 7.208 19.104 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.411 9.481 17.843 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -4.438 9.478 19.263 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -2.391 10.681 19.666 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -2.461 9.306 20.660 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -1.465 9.309 19.285 1.00 0.00 H new ATOM 1104 N GLY 1 90 -6.932 3.996 16.337 1.00 0.00 N ATOM 1105 CA GLY 1 90 -7.860 4.089 15.231 1.00 0.00 C ATOM 1106 C GLY 1 90 -8.979 3.070 15.302 1.00 0.00 C ATOM 1107 O GLY 1 90 -9.307 2.570 16.378 1.00 0.00 O ATOM 0 H GLY 1 90 -7.043 3.175 16.932 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -8.290 5.090 15.210 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -7.315 3.956 14.296 1.00 0.00 H new ATOM 1111 N ARG 1 91 -9.564 2.761 14.148 1.00 0.00 N ATOM 1112 CA ARG 1 91 -10.650 1.792 14.074 1.00 0.00 C ATOM 1113 C ARG 1 91 -10.109 0.420 13.688 1.00 0.00 C ATOM 1114 O ARG 1 91 -10.380 -0.578 14.354 1.00 0.00 O ATOM 1115 CB ARG 1 91 -11.702 2.244 13.061 1.00 0.00 C ATOM 1116 CG ARG 1 91 -12.701 3.237 13.628 1.00 0.00 C ATOM 1117 CD ARG 1 91 -13.601 2.592 14.668 1.00 0.00 C ATOM 1118 NE ARG 1 91 -14.884 2.180 14.103 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -15.793 3.030 13.632 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -15.565 4.338 13.656 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -16.934 2.572 13.135 1.00 0.00 N ATOM 0 H ARG 1 91 -9.303 3.169 13.251 1.00 0.00 H new ATOM 0 HA ARG 1 91 -11.118 1.723 15.056 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -11.200 2.694 12.204 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -12.239 1.370 12.693 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -12.167 4.075 14.077 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -13.310 3.643 12.820 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -13.098 1.724 15.095 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -13.773 3.294 15.484 1.00 0.00 H new ATOM 0 HE ARG 1 91 -15.095 1.183 14.068 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -14.689 4.696 14.037 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -16.266 4.985 13.293 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -17.115 1.568 13.114 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -17.631 3.223 12.774 1.00 0.00 H new ATOM 1135 N GLN 1 92 -9.331 0.385 12.610 1.00 0.00 N ATOM 1136 CA GLN 1 92 -8.733 -0.856 12.131 1.00 0.00 C ATOM 1137 C GLN 1 92 -7.375 -0.587 11.492 1.00 0.00 C ATOM 1138 O GLN 1 92 -7.279 0.111 10.482 1.00 0.00 O ATOM 1139 CB GLN 1 92 -9.660 -1.545 11.128 1.00 0.00 C ATOM 1140 CG GLN 1 92 -10.985 -1.986 11.727 1.00 0.00 C ATOM 1141 CD GLN 1 92 -11.665 -3.066 10.908 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -12.821 -2.925 10.511 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -10.947 -4.153 10.651 1.00 0.00 N ATOM 0 H GLN 1 92 -9.100 1.206 12.050 1.00 0.00 H new ATOM 0 HA GLN 1 92 -8.589 -1.517 12.986 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -9.854 -0.865 10.299 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -9.151 -2.415 10.714 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -10.817 -2.354 12.739 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -11.648 -1.124 11.807 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -9.992 -4.227 11.000 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -11.351 -4.913 10.104 1.00 0.00 H new ATOM 1152 N VAL 1 93 -6.330 -1.143 12.090 1.00 0.00 N ATOM 1153 CA VAL 1 93 -4.975 -0.968 11.591 1.00 0.00 C ATOM 1154 C VAL 1 93 -4.664 -1.996 10.505 1.00 0.00 C ATOM 1155 O VAL 1 93 -4.680 -3.198 10.754 1.00 0.00 O ATOM 1156 CB VAL 1 93 -3.956 -1.068 12.760 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -2.689 -1.822 12.381 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -3.605 0.315 13.270 1.00 0.00 C ATOM 0 H VAL 1 93 -6.397 -1.723 12.927 1.00 0.00 H new ATOM 0 HA VAL 1 93 -4.891 0.024 11.147 1.00 0.00 H new ATOM 0 HB VAL 1 93 -4.441 -1.641 13.550 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -2.017 -1.858 13.238 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -2.946 -2.837 12.079 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -2.195 -1.311 11.554 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -2.890 0.230 14.089 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -3.164 0.900 12.462 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -4.508 0.811 13.626 1.00 0.00 H new ATOM 1168 N LEU 1 94 -4.375 -1.517 9.300 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.057 -2.403 8.187 1.00 0.00 C ATOM 1170 C LEU 1 94 -2.696 -2.055 7.592 1.00 0.00 C ATOM 1171 O LEU 1 94 -2.528 -1.010 6.965 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.148 -2.321 7.111 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.199 -3.481 6.099 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -5.039 -2.960 4.679 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.138 -4.534 6.396 1.00 0.00 C ATOM 0 H LEU 1 94 -4.354 -0.524 9.070 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.014 -3.425 8.564 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.116 -2.259 7.609 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.014 -1.391 6.559 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.176 -3.955 6.195 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -5.078 -3.794 3.979 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -5.845 -2.261 4.455 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -4.080 -2.451 4.584 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.206 -5.336 5.661 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.149 -4.078 6.346 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -4.299 -4.942 7.394 1.00 0.00 H new ATOM 1187 N ILE 1 95 -1.727 -2.940 7.802 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.373 -2.734 7.299 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.240 -3.208 5.855 1.00 0.00 C ATOM 1190 O ILE 1 95 -0.969 -4.094 5.415 1.00 0.00 O ATOM 1191 CB ILE 1 95 0.663 -3.474 8.169 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 0.489 -3.091 9.640 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 2.077 -3.164 7.699 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 1.440 -3.813 10.569 1.00 0.00 C ATOM 0 H ILE 1 95 -1.855 -3.810 8.319 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.179 -1.662 7.342 1.00 0.00 H new ATOM 0 HB ILE 1 95 0.498 -4.547 8.067 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.635 -2.016 9.747 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -0.536 -3.305 9.944 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 2.793 -3.695 8.325 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 2.194 -3.483 6.663 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 2.258 -2.091 7.771 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 1.260 -3.492 11.595 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 1.279 -4.888 10.491 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 2.468 -3.579 10.291 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.698 -2.610 5.123 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.928 -2.972 3.729 1.00 0.00 C ATOM 1208 C ALA 1 96 2.420 -3.070 3.424 1.00 0.00 C ATOM 1209 O ALA 1 96 3.111 -2.056 3.311 1.00 0.00 O ATOM 1210 CB ALA 1 96 0.262 -1.966 2.803 1.00 0.00 C ATOM 0 H ALA 1 96 1.310 -1.873 5.473 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.485 -3.953 3.558 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.443 -2.250 1.766 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -0.811 -1.951 2.993 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.676 -0.974 2.985 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.908 -4.301 3.290 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.317 -4.540 2.996 1.00 0.00 C ATOM 1218 C LYS 1 97 4.500 -4.971 1.544 1.00 0.00 C ATOM 1219 O LYS 1 97 3.856 -5.912 1.082 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.883 -5.609 3.932 1.00 0.00 C ATOM 1221 CG LYS 1 97 4.460 -5.435 5.382 1.00 0.00 C ATOM 1222 CD LYS 1 97 3.254 -6.297 5.718 1.00 0.00 C ATOM 1223 CE LYS 1 97 3.672 -7.674 6.207 1.00 0.00 C ATOM 1224 NZ LYS 1 97 4.180 -8.527 5.097 1.00 0.00 N ATOM 0 H LYS 1 97 2.347 -5.148 3.381 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.859 -3.608 3.154 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.562 -6.591 3.584 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.971 -5.590 3.875 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 5.290 -5.697 6.038 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 4.224 -4.388 5.570 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 2.655 -5.804 6.484 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 2.622 -6.399 4.836 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 4.446 -7.570 6.968 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 2.822 -8.164 6.682 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 4.182 -9.523 5.397 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 3.565 -8.417 4.266 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 5.148 -8.237 4.852 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.377 -4.274 0.830 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.639 -4.580 -0.572 1.00 0.00 C ATOM 1240 C VAL 1 98 7.030 -5.180 -0.763 1.00 0.00 C ATOM 1241 O VAL 1 98 7.959 -4.866 -0.018 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.510 -3.317 -1.446 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.544 -2.277 -1.041 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 5.639 -3.667 -2.921 1.00 0.00 C ATOM 0 H VAL 1 98 5.919 -3.493 1.199 1.00 0.00 H new ATOM 0 HA VAL 1 98 4.893 -5.312 -0.882 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.520 -2.890 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.437 -1.393 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.393 -2.001 0.002 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.545 -2.691 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.545 -2.761 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 6.612 -4.123 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 4.852 -4.369 -3.199 1.00 0.00 H new ATOM 1254 N THR 1 99 7.166 -6.041 -1.768 1.00 0.00 N ATOM 1255 CA THR 1 99 8.444 -6.682 -2.059 1.00 0.00 C ATOM 1256 C THR 1 99 8.497 -7.165 -3.509 1.00 0.00 C ATOM 1257 O THR 1 99 8.104 -8.292 -3.810 1.00 0.00 O ATOM 1258 CB THR 1 99 8.676 -7.858 -1.110 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.613 -7.433 0.240 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.012 -8.538 -1.315 1.00 0.00 C ATOM 0 H THR 1 99 6.407 -6.310 -2.394 1.00 0.00 H new ATOM 0 HA THR 1 99 9.232 -5.944 -1.913 1.00 0.00 H new ATOM 0 HB THR 1 99 7.884 -8.572 -1.337 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.760 -6.465 0.285 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.112 -9.363 -0.610 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.073 -8.922 -2.333 1.00 0.00 H new ATOM 0 HG23 THR 1 99 10.815 -7.820 -1.150 1.00 0.00 H new ATOM 1268 N PRO 1 100 8.981 -6.312 -4.431 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.085 -6.645 -5.843 1.00 0.00 C ATOM 1270 C PRO 1 100 10.424 -7.287 -6.198 1.00 0.00 C ATOM 1271 O PRO 1 100 10.511 -8.500 -6.389 1.00 0.00 O ATOM 1272 CB PRO 1 100 8.943 -5.288 -6.535 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.208 -4.245 -5.486 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.461 -4.954 -4.177 1.00 0.00 C ATOM 0 HA PRO 1 100 8.335 -7.377 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 9.650 -5.197 -7.360 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 7.945 -5.170 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.069 -3.637 -5.763 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.357 -3.570 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.518 -4.944 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 8.922 -4.484 -3.354 1.00 0.00 H new ATOM 1282 N GLY 1 101 11.466 -6.464 -6.289 1.00 0.00 N ATOM 1283 CA GLY 1 101 12.784 -6.966 -6.625 1.00 0.00 C ATOM 1284 C GLY 1 101 13.642 -5.923 -7.317 1.00 0.00 C ATOM 1285 O GLY 1 101 14.717 -5.572 -6.830 1.00 0.00 O ATOM 0 H GLY 1 101 11.419 -5.457 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 13.285 -7.300 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 12.684 -7.837 -7.272 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.168 -5.429 -8.458 1.00 0.00 N ATOM 1290 CA VAL 1 102 13.901 -4.421 -9.217 1.00 0.00 C ATOM 1291 C VAL 1 102 13.135 -3.102 -9.277 1.00 0.00 C ATOM 1292 O VAL 1 102 11.915 -3.074 -9.123 1.00 0.00 O ATOM 1293 CB VAL 1 102 14.192 -4.902 -10.655 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 12.939 -4.830 -11.521 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 15.319 -4.088 -11.271 1.00 0.00 C ATOM 0 H VAL 1 102 12.281 -5.710 -8.876 1.00 0.00 H new ATOM 0 HA VAL 1 102 14.845 -4.261 -8.696 1.00 0.00 H new ATOM 0 HB VAL 1 102 14.506 -5.945 -10.606 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 13.173 -5.174 -12.528 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 12.163 -5.464 -11.092 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 12.584 -3.800 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 15.511 -4.441 -12.284 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 15.034 -3.036 -11.301 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 16.221 -4.203 -10.670 1.00 0.00 H new ATOM 1305 N LEU 1 103 13.861 -2.014 -9.515 1.00 0.00 N ATOM 1306 CA LEU 1 103 13.248 -0.696 -9.611 1.00 0.00 C ATOM 1307 C LEU 1 103 13.900 0.127 -10.718 1.00 0.00 C ATOM 1308 O LEU 1 103 15.119 0.292 -10.746 1.00 0.00 O ATOM 1309 CB LEU 1 103 13.353 0.048 -8.280 1.00 0.00 C ATOM 1310 CG LEU 1 103 12.686 1.424 -8.263 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 11.228 1.304 -7.850 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.430 2.367 -7.332 1.00 0.00 C ATOM 0 H LEU 1 103 14.873 -2.020 -9.645 1.00 0.00 H new ATOM 0 HA LEU 1 103 12.195 -0.836 -9.854 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 12.906 -0.567 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 14.407 0.167 -8.028 1.00 0.00 H new ATOM 0 HG LEU 1 103 12.725 1.837 -9.271 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 10.769 2.293 -7.843 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 10.701 0.664 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 11.167 0.869 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 12.940 3.341 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 13.425 1.960 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.459 2.478 -7.673 1.00 0.00 H new