USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 730 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= -0.0509 K(o=-2.7,f=-3.5) USER MOD Set 1.2: 1 42 GLN :FLIP amide:sc= -2.67! F(o=-3.4,f=-2.7!) USER MOD Single : 1 23 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : 1 27 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : 1 32 SER OG : rot 17:sc= 0.106 USER MOD Single : 1 34 GLN : amide:sc= -2.16 K(o=-2.2,f=-2.7!) USER MOD Single : 1 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 44 SER OG : rot -62:sc= 1.23 USER MOD Single : 1 45 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 48 SER OG : rot 170:sc= -0.633 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= -1.46 USER MOD Single : 1 75 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.6!) USER MOD Single : 1 78 THR OG1 : rot 87:sc= 0.209 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= -3.96! C(o=-4!,f=-11!) USER MOD Single : 1 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 99 THR OG1 : rot 180:sc= -0.182 USER MOD Single : 1 105 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.38) USER MOD Single : 1 106 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.68) USER MOD Single : 1 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 108 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.67) USER MOD Single : 1 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA 1 22 -15.115 2.197 10.068 1.00 0.00 N ATOM 2 CA ALA 1 22 -14.956 3.575 10.600 1.00 0.00 C ATOM 3 C ALA 1 22 -13.626 3.729 11.330 1.00 0.00 C ATOM 4 O ALA 1 22 -13.220 2.852 12.093 1.00 0.00 O ATOM 5 CB ALA 1 22 -16.111 3.918 11.529 1.00 0.00 C ATOM 0 HA ALA 1 22 -14.963 4.267 9.758 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -15.982 4.930 11.912 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -17.051 3.855 10.980 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -16.129 3.215 12.362 1.00 0.00 H new ATOM 13 N ASN 1 23 -12.952 4.849 11.092 1.00 0.00 N ATOM 14 CA ASN 1 23 -11.668 5.119 11.727 1.00 0.00 C ATOM 15 C ASN 1 23 -10.641 4.056 11.351 1.00 0.00 C ATOM 16 O ASN 1 23 -10.445 3.084 12.080 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.828 5.171 13.248 1.00 0.00 C ATOM 18 CG ASN 1 23 -12.297 6.528 13.734 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -13.314 7.047 13.273 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -11.556 7.110 14.669 1.00 0.00 N ATOM 0 H ASN 1 23 -13.274 5.585 10.463 1.00 0.00 H new ATOM 0 HA ASN 1 23 -11.312 6.086 11.372 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.542 4.409 13.562 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -10.875 4.929 13.719 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -11.822 8.024 15.034 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -10.721 6.643 15.022 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.987 4.247 10.210 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.981 3.301 9.744 1.00 0.00 C ATOM 29 C VAL 1 24 -7.915 3.993 8.899 1.00 0.00 C ATOM 30 O VAL 1 24 -8.200 4.950 8.179 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.617 2.162 8.923 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.662 1.428 9.748 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -10.225 2.701 7.637 1.00 0.00 C ATOM 0 H VAL 1 24 -10.135 5.046 9.593 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.512 2.879 10.633 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.834 1.453 8.656 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -11.100 0.628 9.152 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -10.193 1.004 10.636 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -11.444 2.125 10.049 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.668 1.881 7.072 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.995 3.434 7.878 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -9.448 3.175 7.038 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.689 3.493 8.991 1.00 0.00 N ATOM 44 CA ARG 1 25 -5.571 4.048 8.237 1.00 0.00 C ATOM 45 C ARG 1 25 -4.562 2.954 7.905 1.00 0.00 C ATOM 46 O ARG 1 25 -3.998 2.327 8.802 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.892 5.165 9.033 1.00 0.00 C ATOM 48 CG ARG 1 25 -5.400 6.554 8.685 1.00 0.00 C ATOM 49 CD ARG 1 25 -4.995 6.960 7.276 1.00 0.00 C ATOM 50 NE ARG 1 25 -4.519 8.340 7.219 1.00 0.00 N ATOM 51 CZ ARG 1 25 -3.414 8.768 7.825 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -2.669 7.929 8.533 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -3.052 10.040 7.721 1.00 0.00 N ATOM 0 H ARG 1 25 -6.443 2.700 9.583 1.00 0.00 H new ATOM 0 HA ARG 1 25 -5.956 4.466 7.307 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -5.046 4.987 10.097 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -3.817 5.125 8.855 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -6.486 6.578 8.773 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -5.006 7.276 9.400 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -4.212 6.292 6.917 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -5.847 6.842 6.606 1.00 0.00 H new ATOM 0 HE ARG 1 25 -5.065 9.015 6.684 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -2.942 6.950 8.615 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -1.823 8.263 8.995 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -3.620 10.689 7.177 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -2.205 10.369 8.185 1.00 0.00 H new ATOM 67 N LEU 1 26 -4.343 2.719 6.616 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.408 1.689 6.183 1.00 0.00 C ATOM 69 C LEU 1 26 -1.972 2.061 6.523 1.00 0.00 C ATOM 70 O LEU 1 26 -1.625 3.238 6.612 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.538 1.428 4.681 1.00 0.00 C ATOM 72 CG LEU 1 26 -3.964 0.006 4.326 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -5.437 -0.193 4.638 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -3.673 -0.297 2.865 1.00 0.00 C ATOM 0 H LEU 1 26 -4.798 3.225 5.856 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.662 0.776 6.722 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -4.263 2.127 4.264 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.581 1.638 4.203 1.00 0.00 H new ATOM 0 HG LEU 1 26 -3.385 -0.691 4.932 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -5.729 -1.211 4.381 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -5.610 -0.024 5.701 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -6.031 0.513 4.057 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -3.985 -1.316 2.636 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -4.221 0.401 2.232 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -2.604 -0.194 2.678 1.00 0.00 H new ATOM 86 N GLN 1 27 -1.143 1.041 6.706 1.00 0.00 N ATOM 87 CA GLN 1 27 0.264 1.247 7.031 1.00 0.00 C ATOM 88 C GLN 1 27 1.147 0.920 5.832 1.00 0.00 C ATOM 89 O GLN 1 27 1.091 -0.184 5.290 1.00 0.00 O ATOM 90 CB GLN 1 27 0.666 0.385 8.229 1.00 0.00 C ATOM 91 CG GLN 1 27 -0.109 0.704 9.496 1.00 0.00 C ATOM 92 CD GLN 1 27 0.680 0.401 10.755 1.00 0.00 C ATOM 93 OE1 GLN 1 27 0.659 -0.721 11.260 1.00 0.00 O ATOM 94 NE2 GLN 1 27 1.383 1.405 11.268 1.00 0.00 N ATOM 0 H GLN 1 27 -1.420 0.062 6.635 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.404 2.297 7.289 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 0.517 -0.665 7.977 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 1.731 0.519 8.421 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 -0.388 1.758 9.491 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 -1.035 0.129 9.505 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 1.371 2.319 10.816 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 1.934 1.262 12.114 1.00 0.00 H new ATOM 103 N VAL 1 28 1.962 1.887 5.424 1.00 0.00 N ATOM 104 CA VAL 1 28 2.858 1.700 4.286 1.00 0.00 C ATOM 105 C VAL 1 28 4.234 1.231 4.741 1.00 0.00 C ATOM 106 O VAL 1 28 4.840 1.822 5.635 1.00 0.00 O ATOM 107 CB VAL 1 28 3.022 2.991 3.451 1.00 0.00 C ATOM 108 CG1 VAL 1 28 1.989 3.040 2.336 1.00 0.00 C ATOM 109 CG2 VAL 1 28 2.930 4.232 4.330 1.00 0.00 C ATOM 0 H VAL 1 28 2.021 2.806 5.862 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.397 0.937 3.659 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.014 2.977 3.001 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 2.120 3.955 1.759 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.118 2.177 1.682 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 0.988 3.022 2.767 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 3.049 5.124 3.714 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 1.958 4.258 4.822 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 3.717 4.203 5.083 1.00 0.00 H new ATOM 119 N GLU 1 29 4.723 0.165 4.116 1.00 0.00 N ATOM 120 CA GLU 1 29 6.030 -0.384 4.455 1.00 0.00 C ATOM 121 C GLU 1 29 6.761 -0.867 3.206 1.00 0.00 C ATOM 122 O GLU 1 29 6.258 -1.713 2.467 1.00 0.00 O ATOM 123 CB GLU 1 29 5.881 -1.536 5.449 1.00 0.00 C ATOM 124 CG GLU 1 29 5.905 -1.092 6.903 1.00 0.00 C ATOM 125 CD GLU 1 29 5.985 -2.259 7.867 1.00 0.00 C ATOM 126 OE1 GLU 1 29 6.758 -3.202 7.596 1.00 0.00 O ATOM 127 OE2 GLU 1 29 5.275 -2.230 8.895 1.00 0.00 O ATOM 0 H GLU 1 29 4.234 -0.335 3.373 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.619 0.410 4.914 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 4.943 -2.056 5.252 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.684 -2.254 5.284 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 6.758 -0.433 7.064 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 5.008 -0.510 7.116 1.00 0.00 H new ATOM 134 N GLY 1 30 7.953 -0.327 2.983 1.00 0.00 N ATOM 135 CA GLY 1 30 8.744 -0.715 1.830 1.00 0.00 C ATOM 136 C GLY 1 30 8.655 0.279 0.692 1.00 0.00 C ATOM 137 O GLY 1 30 8.613 -0.103 -0.477 1.00 0.00 O ATOM 0 H GLY 1 30 8.387 0.375 3.582 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.786 -0.823 2.131 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.411 -1.692 1.479 1.00 0.00 H new ATOM 141 N LEU 1 31 8.635 1.558 1.037 1.00 0.00 N ATOM 142 CA LEU 1 31 8.557 2.619 0.045 1.00 0.00 C ATOM 143 C LEU 1 31 9.432 3.800 0.439 1.00 0.00 C ATOM 144 O LEU 1 31 9.700 4.023 1.620 1.00 0.00 O ATOM 145 CB LEU 1 31 7.115 3.075 -0.129 1.00 0.00 C ATOM 146 CG LEU 1 31 6.100 1.944 -0.249 1.00 0.00 C ATOM 147 CD1 LEU 1 31 4.710 2.444 0.094 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.135 1.357 -1.649 1.00 0.00 C ATOM 0 H LEU 1 31 8.672 1.887 2.002 1.00 0.00 H new ATOM 0 HA LEU 1 31 8.922 2.222 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 6.841 3.702 0.720 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.050 3.699 -1.020 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.361 1.158 0.459 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 3.996 1.625 0.004 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 4.701 2.822 1.116 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.432 3.245 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.406 0.550 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 5.893 2.133 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.131 0.966 -1.855 1.00 0.00 H new ATOM 160 N SER 1 32 9.883 4.549 -0.559 1.00 0.00 N ATOM 161 CA SER 1 32 10.739 5.704 -0.319 1.00 0.00 C ATOM 162 C SER 1 32 10.461 6.820 -1.321 1.00 0.00 C ATOM 163 O SER 1 32 9.592 6.693 -2.184 1.00 0.00 O ATOM 164 CB SER 1 32 12.201 5.282 -0.416 1.00 0.00 C ATOM 165 OG SER 1 32 12.643 4.683 0.790 1.00 0.00 O ATOM 0 H SER 1 32 9.671 4.378 -1.542 1.00 0.00 H new ATOM 0 HA SER 1 32 10.525 6.085 0.680 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.326 4.580 -1.241 1.00 0.00 H new ATOM 0 HB3 SER 1 32 12.819 6.151 -0.641 1.00 0.00 H new ATOM 0 HG SER 1 32 11.867 4.417 1.327 1.00 0.00 H new ATOM 171 N GLY 1 33 11.214 7.914 -1.200 1.00 0.00 N ATOM 172 CA GLY 1 33 11.050 9.047 -2.098 1.00 0.00 C ATOM 173 C GLY 1 33 9.596 9.394 -2.350 1.00 0.00 C ATOM 174 O GLY 1 33 8.882 9.805 -1.437 1.00 0.00 O ATOM 0 H GLY 1 33 11.938 8.035 -0.492 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 11.558 9.915 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 11.535 8.824 -3.048 1.00 0.00 H new ATOM 178 N GLN 1 34 9.158 9.220 -3.593 1.00 0.00 N ATOM 179 CA GLN 1 34 7.779 9.507 -3.969 1.00 0.00 C ATOM 180 C GLN 1 34 6.908 8.261 -3.823 1.00 0.00 C ATOM 181 O GLN 1 34 5.682 8.350 -3.780 1.00 0.00 O ATOM 182 CB GLN 1 34 7.717 10.020 -5.408 1.00 0.00 C ATOM 183 CG GLN 1 34 6.505 10.892 -5.692 1.00 0.00 C ATOM 184 CD GLN 1 34 6.431 12.102 -4.782 1.00 0.00 C ATOM 185 OE1 GLN 1 34 5.383 12.397 -4.206 1.00 0.00 O ATOM 186 NE2 GLN 1 34 7.545 12.812 -4.648 1.00 0.00 N ATOM 0 H GLN 1 34 9.740 8.881 -4.359 1.00 0.00 H new ATOM 0 HA GLN 1 34 7.397 10.278 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 8.622 10.589 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 7.709 9.168 -6.088 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 6.536 11.224 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 5.599 10.298 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 8.391 12.532 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 7.555 13.638 -4.049 1.00 0.00 H new ATOM 195 N LEU 1 35 7.554 7.100 -3.744 1.00 0.00 N ATOM 196 CA LEU 1 35 6.848 5.833 -3.599 1.00 0.00 C ATOM 197 C LEU 1 35 5.956 5.848 -2.366 1.00 0.00 C ATOM 198 O LEU 1 35 4.735 5.733 -2.463 1.00 0.00 O ATOM 199 CB LEU 1 35 7.853 4.685 -3.495 1.00 0.00 C ATOM 200 CG LEU 1 35 9.057 4.770 -4.437 1.00 0.00 C ATOM 201 CD1 LEU 1 35 9.671 3.393 -4.649 1.00 0.00 C ATOM 202 CD2 LEU 1 35 8.666 5.385 -5.770 1.00 0.00 C ATOM 0 H LEU 1 35 8.570 7.012 -3.778 1.00 0.00 H new ATOM 0 HA LEU 1 35 6.221 5.688 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 8.220 4.639 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.329 3.749 -3.688 1.00 0.00 H new ATOM 0 HG LEU 1 35 9.801 5.415 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 10.525 3.475 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 10.001 2.990 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 8.928 2.727 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 9.540 5.433 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 7.897 4.773 -6.242 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 8.279 6.391 -5.607 1.00 0.00 H new ATOM 214 N GLU 1 36 6.583 5.996 -1.204 1.00 0.00 N ATOM 215 CA GLU 1 36 5.863 6.035 0.062 1.00 0.00 C ATOM 216 C GLU 1 36 4.738 7.070 0.006 1.00 0.00 C ATOM 217 O GLU 1 36 3.665 6.872 0.578 1.00 0.00 O ATOM 218 CB GLU 1 36 6.852 6.339 1.199 1.00 0.00 C ATOM 219 CG GLU 1 36 6.292 7.191 2.328 1.00 0.00 C ATOM 220 CD GLU 1 36 5.183 6.493 3.091 1.00 0.00 C ATOM 221 OE1 GLU 1 36 5.394 5.339 3.520 1.00 0.00 O ATOM 222 OE2 GLU 1 36 4.105 7.101 3.260 1.00 0.00 O ATOM 0 H GLU 1 36 7.595 6.091 -1.114 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.403 5.065 0.252 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 7.204 5.395 1.616 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 7.721 6.845 0.779 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 7.096 7.448 3.017 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 5.912 8.127 1.918 1.00 0.00 H new ATOM 229 N LYS 1 37 4.993 8.168 -0.697 1.00 0.00 N ATOM 230 CA LYS 1 37 4.005 9.233 -0.841 1.00 0.00 C ATOM 231 C LYS 1 37 2.868 8.792 -1.757 1.00 0.00 C ATOM 232 O LYS 1 37 1.692 8.948 -1.424 1.00 0.00 O ATOM 233 CB LYS 1 37 4.655 10.503 -1.398 1.00 0.00 C ATOM 234 CG LYS 1 37 6.084 10.718 -0.927 1.00 0.00 C ATOM 235 CD LYS 1 37 6.555 12.137 -1.200 1.00 0.00 C ATOM 236 CE LYS 1 37 5.695 13.159 -0.474 1.00 0.00 C ATOM 237 NZ LYS 1 37 6.504 14.297 0.044 1.00 0.00 N ATOM 0 H LYS 1 37 5.876 8.345 -1.177 1.00 0.00 H new ATOM 0 HA LYS 1 37 3.599 9.449 0.147 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 4.644 10.458 -2.487 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 4.053 11.365 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 6.151 10.511 0.141 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 6.744 10.012 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 7.593 12.244 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 6.526 12.331 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 4.929 13.537 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 5.177 12.675 0.354 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 5.881 14.972 0.532 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 7.218 13.940 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 6.978 14.775 -0.749 1.00 0.00 H new ATOM 251 N ASN 1 38 3.225 8.236 -2.912 1.00 0.00 N ATOM 252 CA ASN 1 38 2.232 7.769 -3.873 1.00 0.00 C ATOM 253 C ASN 1 38 1.296 6.754 -3.226 1.00 0.00 C ATOM 254 O ASN 1 38 0.072 6.890 -3.286 1.00 0.00 O ATOM 255 CB ASN 1 38 2.921 7.146 -5.089 1.00 0.00 C ATOM 256 CG ASN 1 38 2.288 7.578 -6.397 1.00 0.00 C ATOM 257 OD1 ASN 1 38 1.254 7.048 -6.805 1.00 0.00 O ATOM 258 ND2 ASN 1 38 2.906 8.547 -7.062 1.00 0.00 N ATOM 0 H ASN 1 38 4.193 8.098 -3.204 1.00 0.00 H new ATOM 0 HA ASN 1 38 1.643 8.626 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 3.975 7.425 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 2.879 6.060 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 2.526 8.880 -7.948 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 3.761 8.958 -6.687 1.00 0.00 H new ATOM 265 N VAL 1 39 1.881 5.739 -2.598 1.00 0.00 N ATOM 266 CA VAL 1 39 1.102 4.707 -1.932 1.00 0.00 C ATOM 267 C VAL 1 39 0.206 5.317 -0.861 1.00 0.00 C ATOM 268 O VAL 1 39 -0.939 4.901 -0.689 1.00 0.00 O ATOM 269 CB VAL 1 39 2.008 3.635 -1.299 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.173 2.520 -0.687 1.00 0.00 C ATOM 271 CG2 VAL 1 39 2.971 3.080 -2.338 1.00 0.00 C ATOM 0 H VAL 1 39 2.891 5.611 -2.538 1.00 0.00 H new ATOM 0 HA VAL 1 39 0.482 4.229 -2.691 1.00 0.00 H new ATOM 0 HB VAL 1 39 2.589 4.098 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 1.832 1.773 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 0.524 2.933 0.085 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 0.564 2.054 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 3.606 2.323 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 2.406 2.632 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 3.592 3.887 -2.726 1.00 0.00 H new ATOM 281 N ARG 1 40 0.725 6.321 -0.154 1.00 0.00 N ATOM 282 CA ARG 1 40 -0.047 6.996 0.884 1.00 0.00 C ATOM 283 C ARG 1 40 -1.361 7.509 0.305 1.00 0.00 C ATOM 284 O ARG 1 40 -2.435 7.281 0.866 1.00 0.00 O ATOM 285 CB ARG 1 40 0.755 8.155 1.481 1.00 0.00 C ATOM 286 CG ARG 1 40 1.501 7.787 2.753 1.00 0.00 C ATOM 287 CD ARG 1 40 0.608 7.898 3.979 1.00 0.00 C ATOM 288 NE ARG 1 40 0.465 6.618 4.670 1.00 0.00 N ATOM 289 CZ ARG 1 40 0.054 6.498 5.930 1.00 0.00 C ATOM 290 NH1 ARG 1 40 -0.257 7.576 6.640 1.00 0.00 N ATOM 291 NH2 ARG 1 40 -0.048 5.297 6.481 1.00 0.00 N ATOM 0 H ARG 1 40 1.671 6.682 -0.281 1.00 0.00 H new ATOM 0 HA ARG 1 40 -0.264 6.281 1.678 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 1.471 8.510 0.740 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.078 8.983 1.693 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 1.881 6.769 2.671 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 2.365 8.441 2.871 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 1.024 8.636 4.665 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 -0.375 8.260 3.680 1.00 0.00 H new ATOM 0 HE ARG 1 40 0.694 5.767 4.156 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 -0.181 8.502 6.220 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 -0.571 7.478 7.605 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 0.188 4.466 5.939 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 -0.363 5.204 7.447 1.00 0.00 H new ATOM 305 N ALA 1 41 -1.272 8.184 -0.839 1.00 0.00 N ATOM 306 CA ALA 1 41 -2.458 8.702 -1.506 1.00 0.00 C ATOM 307 C ALA 1 41 -3.419 7.560 -1.807 1.00 0.00 C ATOM 308 O ALA 1 41 -4.630 7.677 -1.609 1.00 0.00 O ATOM 309 CB ALA 1 41 -2.076 9.431 -2.785 1.00 0.00 C ATOM 0 H ALA 1 41 -0.394 8.383 -1.319 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.952 9.415 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -2.975 9.811 -3.270 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -1.414 10.263 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -1.565 8.742 -3.458 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.860 6.444 -2.265 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.656 5.266 -2.570 1.00 0.00 C ATOM 317 C GLN 1 42 -4.257 4.704 -1.288 1.00 0.00 C ATOM 318 O GLN 1 42 -5.412 4.286 -1.263 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.797 4.203 -3.258 1.00 0.00 C ATOM 320 CG GLN 1 42 -2.581 4.461 -4.740 1.00 0.00 C ATOM 321 CD GLN 1 42 -1.268 5.164 -5.025 1.00 0.00 C ATOM 322 OE1 GLN 1 42 -0.168 4.426 -4.924 1.00 0.00 O flip ATOM 323 NE2 GLN 1 42 -1.243 6.356 -5.331 1.00 0.00 N flip ATOM 0 H GLN 1 42 -1.860 6.333 -2.432 1.00 0.00 H new ATOM 0 HA GLN 1 42 -4.461 5.552 -3.248 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -1.828 4.154 -2.761 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -3.270 3.229 -3.132 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -2.605 3.513 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -3.403 5.066 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 -2.113 6.884 -5.397 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 -0.352 6.816 -5.519 1.00 0.00 H new ATOM 332 N LEU 1 43 -3.460 4.717 -0.221 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.899 4.224 1.080 1.00 0.00 C ATOM 334 C LEU 1 43 -5.189 4.912 1.509 1.00 0.00 C ATOM 335 O LEU 1 43 -6.056 4.299 2.132 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.809 4.464 2.130 1.00 0.00 C ATOM 337 CG LEU 1 43 -1.491 3.704 1.914 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.936 3.224 3.246 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.676 2.529 0.961 1.00 0.00 C ATOM 0 H LEU 1 43 -2.502 5.066 -0.234 1.00 0.00 H new ATOM 0 HA LEU 1 43 -4.086 3.154 0.995 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -2.590 5.531 2.161 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -3.207 4.192 3.108 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.778 4.392 1.460 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 -0.002 2.687 3.079 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 -0.751 4.081 3.893 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.657 2.559 3.722 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.725 2.013 0.830 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -2.410 1.837 1.374 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -2.026 2.895 -0.004 1.00 0.00 H new ATOM 351 N SER 1 44 -5.306 6.192 1.173 1.00 0.00 N ATOM 352 CA SER 1 44 -6.488 6.969 1.524 1.00 0.00 C ATOM 353 C SER 1 44 -7.647 6.679 0.573 1.00 0.00 C ATOM 354 O SER 1 44 -8.809 6.684 0.981 1.00 0.00 O ATOM 355 CB SER 1 44 -6.163 8.464 1.505 1.00 0.00 C ATOM 356 OG SER 1 44 -6.076 8.951 0.177 1.00 0.00 O ATOM 0 H SER 1 44 -4.596 6.713 0.658 1.00 0.00 H new ATOM 0 HA SER 1 44 -6.792 6.677 2.529 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -6.933 9.013 2.047 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -5.220 8.641 2.023 1.00 0.00 H new ATOM 0 HG SER 1 44 -5.348 8.492 -0.293 1.00 0.00 H new ATOM 362 N THR 1 45 -7.331 6.438 -0.697 1.00 0.00 N ATOM 363 CA THR 1 45 -8.360 6.160 -1.696 1.00 0.00 C ATOM 364 C THR 1 45 -8.899 4.730 -1.580 1.00 0.00 C ATOM 365 O THR 1 45 -9.913 4.394 -2.191 1.00 0.00 O ATOM 366 CB THR 1 45 -7.817 6.416 -3.109 1.00 0.00 C ATOM 367 OG1 THR 1 45 -8.873 6.737 -3.997 1.00 0.00 O ATOM 368 CG2 THR 1 45 -7.063 5.244 -3.702 1.00 0.00 C ATOM 0 H THR 1 45 -6.377 6.429 -1.057 1.00 0.00 H new ATOM 0 HA THR 1 45 -9.192 6.838 -1.507 1.00 0.00 H new ATOM 0 HB THR 1 45 -7.119 7.245 -2.995 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -8.510 6.899 -4.893 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -6.712 5.505 -4.701 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -6.209 5.003 -3.069 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -7.724 4.380 -3.764 1.00 0.00 H new ATOM 376 N ILE 1 46 -8.221 3.890 -0.798 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.648 2.503 -0.617 1.00 0.00 C ATOM 378 C ILE 1 46 -10.108 2.426 -0.175 1.00 0.00 C ATOM 379 O ILE 1 46 -10.676 3.407 0.305 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.770 1.769 0.417 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -6.292 1.926 0.057 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -8.151 0.294 0.491 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -5.370 1.062 0.884 1.00 0.00 C ATOM 0 H ILE 1 46 -7.378 4.144 -0.282 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.538 2.014 -1.585 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.939 2.214 1.398 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -6.156 1.682 -0.997 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -6.006 2.970 0.182 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.521 -0.208 1.225 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -9.196 0.203 0.786 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -8.008 -0.168 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -4.339 1.227 0.572 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -5.476 1.321 1.937 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -5.629 0.013 0.741 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.706 1.248 -0.337 1.00 0.00 N ATOM 396 CA GLU 1 47 -12.096 1.025 0.045 1.00 0.00 C ATOM 397 C GLU 1 47 -12.272 1.011 1.567 1.00 0.00 C ATOM 398 O GLU 1 47 -13.380 0.813 2.066 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.601 -0.292 -0.547 1.00 0.00 C ATOM 400 CG GLU 1 47 -12.307 -0.443 -2.030 1.00 0.00 C ATOM 401 CD GLU 1 47 -13.509 -0.126 -2.898 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -14.247 0.825 -2.566 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -13.711 -0.829 -3.911 1.00 0.00 O ATOM 0 H GLU 1 47 -10.245 0.429 -0.733 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.683 1.853 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -12.144 -1.122 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.677 -0.363 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -11.483 0.216 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.978 -1.463 -2.229 1.00 0.00 H new ATOM 410 N SER 1 48 -11.178 1.213 2.304 1.00 0.00 N ATOM 411 CA SER 1 48 -11.215 1.214 3.766 1.00 0.00 C ATOM 412 C SER 1 48 -12.097 2.336 4.331 1.00 0.00 C ATOM 413 O SER 1 48 -12.096 2.576 5.538 1.00 0.00 O ATOM 414 CB SER 1 48 -9.797 1.341 4.329 1.00 0.00 C ATOM 415 OG SER 1 48 -8.824 1.200 3.308 1.00 0.00 O ATOM 0 H SER 1 48 -10.252 1.379 1.909 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.655 0.265 4.074 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -9.681 2.310 4.814 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.638 0.581 5.094 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.943 1.443 3.660 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.852 3.013 3.468 1.00 0.00 N ATOM 422 CA ASP 1 49 -13.737 4.093 3.897 1.00 0.00 C ATOM 423 C ASP 1 49 -14.978 3.549 4.609 1.00 0.00 C ATOM 424 O ASP 1 49 -16.064 4.114 4.486 1.00 0.00 O ATOM 425 CB ASP 1 49 -14.157 4.939 2.694 1.00 0.00 C ATOM 426 CG ASP 1 49 -13.168 6.048 2.392 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -12.960 6.912 3.270 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -12.602 6.052 1.279 1.00 0.00 O ATOM 0 H ASP 1 49 -12.868 2.832 2.464 1.00 0.00 H new ATOM 0 HA ASP 1 49 -13.187 4.715 4.603 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -14.257 4.297 1.819 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -15.139 5.373 2.884 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.809 2.443 5.342 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.897 1.799 6.073 1.00 0.00 C ATOM 435 C GLU 1 50 -16.625 0.795 5.185 1.00 0.00 C ATOM 436 O GLU 1 50 -17.783 0.995 4.819 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.883 2.826 6.633 1.00 0.00 C ATOM 438 CG GLU 1 50 -16.215 4.030 7.278 1.00 0.00 C ATOM 439 CD GLU 1 50 -16.804 5.347 6.809 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -18.047 5.453 6.746 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -16.022 6.272 6.504 1.00 0.00 O ATOM 0 H GLU 1 50 -13.910 1.971 5.443 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.455 1.266 6.915 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -17.531 3.170 5.827 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.522 2.339 7.370 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -16.313 3.958 8.361 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -15.149 4.013 7.053 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.932 -0.289 4.849 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.501 -1.336 4.010 1.00 0.00 C ATOM 450 C VAL 1 51 -16.221 -2.718 4.598 1.00 0.00 C ATOM 451 O VAL 1 51 -15.797 -2.838 5.747 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.954 -1.262 2.568 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -16.048 0.159 2.036 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.519 -1.764 2.503 1.00 0.00 C ATOM 0 H VAL 1 51 -14.972 -0.465 5.147 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.579 -1.175 3.979 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.566 -1.909 1.939 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.658 0.193 1.019 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -17.090 0.479 2.036 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -15.463 0.825 2.671 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -14.158 -1.701 1.477 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.889 -1.150 3.147 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.481 -2.800 2.838 1.00 0.00 H new ATOM 464 N THR 1 52 -16.458 -3.758 3.805 1.00 0.00 N ATOM 465 CA THR 1 52 -16.226 -5.128 4.250 1.00 0.00 C ATOM 466 C THR 1 52 -14.907 -5.659 3.692 1.00 0.00 C ATOM 467 O THR 1 52 -14.853 -6.134 2.558 1.00 0.00 O ATOM 468 CB THR 1 52 -17.381 -6.030 3.810 1.00 0.00 C ATOM 469 OG1 THR 1 52 -18.605 -5.583 4.364 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.197 -7.479 4.211 1.00 0.00 C ATOM 0 H THR 1 52 -16.810 -3.678 2.851 1.00 0.00 H new ATOM 0 HA THR 1 52 -16.169 -5.130 5.338 1.00 0.00 H new ATOM 0 HB THR 1 52 -17.395 -5.971 2.722 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -19.331 -6.171 4.070 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.051 -8.063 3.868 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -16.286 -7.869 3.758 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -17.121 -7.549 5.296 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.818 -5.581 4.479 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.501 -6.053 4.043 1.00 0.00 C ATOM 480 C PRO 1 53 -12.428 -7.572 3.930 1.00 0.00 C ATOM 481 O PRO 1 53 -12.571 -8.290 4.920 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.560 -5.555 5.142 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.423 -5.423 6.349 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.782 -5.023 5.844 1.00 0.00 C ATOM 0 HA PRO 1 53 -12.252 -5.685 3.048 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -10.745 -6.258 5.313 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -11.107 -4.601 4.873 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -12.472 -6.363 6.899 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -12.025 -4.674 7.034 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -14.578 -5.432 6.466 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -13.906 -3.940 5.839 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.197 -8.050 2.713 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.093 -9.477 2.447 1.00 0.00 C ATOM 494 C ASP 1 54 -11.099 -9.735 1.321 1.00 0.00 C ATOM 495 O ASP 1 54 -10.483 -8.803 0.803 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.462 -10.056 2.084 1.00 0.00 C ATOM 497 CG ASP 1 54 -14.207 -10.580 3.296 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -13.546 -10.923 4.298 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -15.454 -10.647 3.243 1.00 0.00 O ATOM 0 H ASP 1 54 -12.077 -7.462 1.888 1.00 0.00 H new ATOM 0 HA ASP 1 54 -11.735 -9.970 3.351 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.061 -9.287 1.597 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.333 -10.863 1.363 1.00 0.00 H new ATOM 504 N ARG 1 55 -10.944 -11.003 0.947 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.021 -11.383 -0.121 1.00 0.00 C ATOM 506 C ARG 1 55 -10.133 -10.434 -1.315 1.00 0.00 C ATOM 507 O ARG 1 55 -9.162 -10.216 -2.040 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.294 -12.822 -0.568 1.00 0.00 C ATOM 509 CG ARG 1 55 -9.057 -13.705 -0.561 1.00 0.00 C ATOM 510 CD ARG 1 55 -8.732 -14.197 0.840 1.00 0.00 C ATOM 511 NE ARG 1 55 -8.239 -15.572 0.836 1.00 0.00 N ATOM 512 CZ ARG 1 55 -7.871 -16.231 1.933 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -7.940 -15.645 3.122 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -7.434 -17.479 1.841 1.00 0.00 N ATOM 0 H ARG 1 55 -11.446 -11.785 1.368 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.007 -11.315 0.272 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -11.047 -13.260 0.087 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -10.715 -12.808 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -9.214 -14.559 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -8.209 -13.148 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -7.983 -13.545 1.289 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -9.624 -14.134 1.463 1.00 0.00 H new ATOM 0 HE ARG 1 55 -8.173 -16.056 -0.060 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -8.276 -14.685 3.199 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -7.657 -16.155 3.959 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -7.380 -17.934 0.930 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -7.152 -17.984 2.681 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.322 -9.872 -1.508 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.560 -8.945 -2.609 1.00 0.00 C ATOM 530 C ARG 1 56 -11.003 -7.563 -2.290 1.00 0.00 C ATOM 531 O ARG 1 56 -10.409 -6.908 -3.147 1.00 0.00 O ATOM 532 CB ARG 1 56 -13.056 -8.845 -2.909 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.896 -8.433 -1.710 1.00 0.00 C ATOM 534 CD ARG 1 56 -15.209 -9.198 -1.660 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.084 -10.453 -0.923 1.00 0.00 N ATOM 536 CZ ARG 1 56 -15.979 -11.437 -0.977 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -17.065 -11.315 -1.731 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -15.789 -12.545 -0.275 1.00 0.00 N ATOM 0 H ARG 1 56 -12.135 -10.042 -0.917 1.00 0.00 H new ATOM 0 HA ARG 1 56 -11.045 -9.331 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -13.209 -8.125 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.409 -9.809 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -13.335 -8.611 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -14.099 -7.363 -1.757 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -15.973 -8.577 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -15.546 -9.406 -2.675 1.00 0.00 H new ATOM 0 HE ARG 1 56 -14.263 -10.583 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -17.217 -10.464 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -17.747 -12.072 -1.769 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -14.957 -12.644 0.307 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -16.475 -13.299 -0.316 1.00 0.00 H new ATOM 552 N PHE 1 57 -11.183 -7.131 -1.047 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.683 -5.834 -0.610 1.00 0.00 C ATOM 554 C PHE 1 57 -9.169 -5.829 -0.713 1.00 0.00 C ATOM 555 O PHE 1 57 -8.562 -4.873 -1.194 1.00 0.00 O ATOM 556 CB PHE 1 57 -11.116 -5.566 0.832 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.743 -4.206 1.353 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.414 -3.853 1.532 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.726 -3.283 1.675 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -9.074 -2.606 2.019 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.392 -2.034 2.164 1.00 0.00 C ATOM 562 CZ PHE 1 57 -10.064 -1.695 2.335 1.00 0.00 C ATOM 0 H PHE 1 57 -11.671 -7.660 -0.325 1.00 0.00 H new ATOM 0 HA PHE 1 57 -11.093 -5.049 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -12.197 -5.683 0.901 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.671 -6.323 1.478 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.636 -4.561 1.288 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.766 -3.543 1.542 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -8.035 -2.343 2.153 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -12.168 -1.325 2.412 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.800 -0.719 2.715 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.575 -6.927 -0.266 1.00 0.00 N ATOM 573 CA ARG 1 58 -7.139 -7.103 -0.300 1.00 0.00 C ATOM 574 C ARG 1 58 -6.593 -6.910 -1.714 1.00 0.00 C ATOM 575 O ARG 1 58 -5.655 -6.143 -1.929 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.808 -8.502 0.206 1.00 0.00 C ATOM 577 CG ARG 1 58 -5.925 -8.508 1.435 1.00 0.00 C ATOM 578 CD ARG 1 58 -6.701 -8.113 2.681 1.00 0.00 C ATOM 579 NE ARG 1 58 -6.143 -8.717 3.888 1.00 0.00 N ATOM 580 CZ ARG 1 58 -6.361 -9.978 4.256 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -7.123 -10.770 3.513 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -5.815 -10.447 5.369 1.00 0.00 N ATOM 0 H ARG 1 58 -9.081 -7.719 0.130 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.671 -6.353 0.338 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.736 -9.026 0.433 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.313 -9.060 -0.589 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -5.497 -9.501 1.572 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -5.093 -7.819 1.290 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -6.695 -7.028 2.783 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -7.742 -8.417 2.571 1.00 0.00 H new ATOM 0 HE ARG 1 58 -5.551 -8.139 4.484 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -7.545 -10.414 2.655 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -7.287 -11.735 3.799 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -5.228 -9.842 5.943 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -5.982 -11.413 5.651 1.00 0.00 H new ATOM 596 N ALA 1 59 -7.185 -7.617 -2.672 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.759 -7.531 -4.064 1.00 0.00 C ATOM 598 C ALA 1 59 -6.831 -6.098 -4.578 1.00 0.00 C ATOM 599 O ALA 1 59 -5.906 -5.617 -5.234 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.608 -8.448 -4.933 1.00 0.00 C ATOM 0 H ALA 1 59 -7.962 -8.257 -2.509 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.719 -7.854 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.279 -8.374 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.499 -9.477 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.654 -8.151 -4.862 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.932 -5.417 -4.276 1.00 0.00 N ATOM 607 CA ARG 1 60 -8.118 -4.036 -4.707 1.00 0.00 C ATOM 608 C ARG 1 60 -6.953 -3.169 -4.246 1.00 0.00 C ATOM 609 O ARG 1 60 -6.415 -2.371 -5.014 1.00 0.00 O ATOM 610 CB ARG 1 60 -9.434 -3.479 -4.160 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.648 -4.318 -4.525 1.00 0.00 C ATOM 612 CD ARG 1 60 -11.361 -3.764 -5.748 1.00 0.00 C ATOM 613 NE ARG 1 60 -12.067 -4.806 -6.489 1.00 0.00 N ATOM 614 CZ ARG 1 60 -12.758 -4.584 -7.605 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -12.838 -3.360 -8.111 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -13.370 -5.589 -8.216 1.00 0.00 N ATOM 0 H ARG 1 60 -8.708 -5.799 -3.735 1.00 0.00 H new ATOM 0 HA ARG 1 60 -8.155 -4.020 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.365 -3.407 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -9.575 -2.466 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.337 -5.345 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -11.338 -4.347 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -12.070 -2.996 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -10.635 -3.282 -6.403 1.00 0.00 H new ATOM 0 HE ARG 1 60 -12.028 -5.760 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -12.369 -2.584 -7.645 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -13.369 -3.195 -8.966 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -13.311 -6.532 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -13.900 -5.419 -9.071 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.560 -3.342 -2.989 1.00 0.00 N ATOM 631 CA VAL 1 61 -5.449 -2.586 -2.428 1.00 0.00 C ATOM 632 C VAL 1 61 -4.135 -3.028 -3.054 1.00 0.00 C ATOM 633 O VAL 1 61 -3.319 -2.202 -3.462 1.00 0.00 O ATOM 634 CB VAL 1 61 -5.353 -2.763 -0.903 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.370 -1.769 -0.311 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.723 -2.624 -0.259 1.00 0.00 C ATOM 0 H VAL 1 61 -6.994 -3.999 -2.341 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.635 -1.535 -2.649 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.984 -3.768 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -4.316 -1.910 0.769 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.384 -1.928 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.703 -0.754 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.633 -2.753 0.820 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -7.127 -1.635 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -7.393 -3.385 -0.660 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.941 -4.342 -3.132 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.729 -4.900 -3.714 1.00 0.00 C ATOM 648 C ASP 1 62 -2.527 -4.371 -5.128 1.00 0.00 C ATOM 649 O ASP 1 62 -1.405 -4.085 -5.546 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.804 -6.428 -3.735 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.485 -7.080 -3.370 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.427 -6.512 -3.714 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.510 -8.159 -2.741 1.00 0.00 O ATOM 0 H ASP 1 62 -4.608 -5.038 -2.799 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.881 -4.596 -3.100 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.574 -6.760 -3.039 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -3.107 -6.760 -4.728 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.630 -4.239 -5.855 1.00 0.00 N ATOM 659 CA ASP 1 63 -3.593 -3.738 -7.221 1.00 0.00 C ATOM 660 C ASP 1 63 -3.334 -2.237 -7.229 1.00 0.00 C ATOM 661 O ASP 1 63 -2.533 -1.738 -8.019 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.915 -4.045 -7.927 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.779 -4.049 -9.437 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -4.764 -2.952 -10.034 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.687 -5.149 -10.022 1.00 0.00 O ATOM 0 H ASP 1 63 -4.564 -4.473 -5.518 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.782 -4.235 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -5.283 -5.016 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -5.660 -3.305 -7.634 1.00 0.00 H new ATOM 670 N ALA 1 64 -4.016 -1.524 -6.339 1.00 0.00 N ATOM 671 CA ALA 1 64 -3.860 -0.079 -6.234 1.00 0.00 C ATOM 672 C ALA 1 64 -2.399 0.294 -6.009 1.00 0.00 C ATOM 673 O ALA 1 64 -1.829 1.090 -6.755 1.00 0.00 O ATOM 674 CB ALA 1 64 -4.727 0.468 -5.111 1.00 0.00 C ATOM 0 H ALA 1 64 -4.683 -1.925 -5.679 1.00 0.00 H new ATOM 0 HA ALA 1 64 -4.184 0.368 -7.174 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -4.599 1.548 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -5.773 0.238 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -4.431 0.010 -4.167 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.795 -0.295 -4.981 1.00 0.00 N ATOM 681 CA ILE 1 65 -0.398 -0.033 -4.667 1.00 0.00 C ATOM 682 C ILE 1 65 0.491 -0.355 -5.857 1.00 0.00 C ATOM 683 O ILE 1 65 1.232 0.494 -6.336 1.00 0.00 O ATOM 684 CB ILE 1 65 0.069 -0.870 -3.459 1.00 0.00 C ATOM 685 CG1 ILE 1 65 -0.686 -0.445 -2.200 1.00 0.00 C ATOM 686 CG2 ILE 1 65 1.573 -0.730 -3.252 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -1.096 -1.603 -1.319 1.00 0.00 C ATOM 0 H ILE 1 65 -2.252 -0.956 -4.353 1.00 0.00 H new ATOM 0 HA ILE 1 65 -0.316 1.026 -4.423 1.00 0.00 H new ATOM 0 HB ILE 1 65 -0.149 -1.919 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 -0.059 0.235 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -1.577 0.112 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 1.880 -1.329 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.097 -1.077 -4.143 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 1.819 0.316 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.627 -1.225 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.749 -2.273 -1.879 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -0.208 -2.147 -0.997 1.00 0.00 H new ATOM 699 N ARG 1 66 0.411 -1.596 -6.319 1.00 0.00 N ATOM 700 CA ARG 1 66 1.209 -2.053 -7.447 1.00 0.00 C ATOM 701 C ARG 1 66 1.035 -1.142 -8.658 1.00 0.00 C ATOM 702 O ARG 1 66 1.990 -0.881 -9.385 1.00 0.00 O ATOM 703 CB ARG 1 66 0.814 -3.484 -7.807 1.00 0.00 C ATOM 704 CG ARG 1 66 1.727 -4.128 -8.835 1.00 0.00 C ATOM 705 CD ARG 1 66 1.133 -5.418 -9.377 1.00 0.00 C ATOM 706 NE ARG 1 66 1.612 -6.591 -8.649 1.00 0.00 N ATOM 707 CZ ARG 1 66 1.057 -7.797 -8.738 1.00 0.00 C ATOM 708 NH1 ARG 1 66 0.005 -7.995 -9.523 1.00 0.00 N ATOM 709 NH2 ARG 1 66 1.555 -8.809 -8.042 1.00 0.00 N ATOM 0 H ARG 1 66 -0.204 -2.308 -5.926 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.259 -2.024 -7.157 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 0.816 -4.091 -6.902 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 -0.207 -3.485 -8.189 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 1.900 -3.432 -9.656 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 2.697 -4.335 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 0.046 -5.371 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 1.386 -5.518 -10.432 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.420 -6.479 -8.036 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 -0.382 -7.220 -10.062 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 -0.416 -8.922 -9.587 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 2.364 -8.663 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 1.129 -9.733 -8.110 1.00 0.00 H new ATOM 723 N GLU 1 67 -0.182 -0.653 -8.870 1.00 0.00 N ATOM 724 CA GLU 1 67 -0.452 0.239 -9.993 1.00 0.00 C ATOM 725 C GLU 1 67 0.308 1.543 -9.809 1.00 0.00 C ATOM 726 O GLU 1 67 1.128 1.920 -10.646 1.00 0.00 O ATOM 727 CB GLU 1 67 -1.952 0.512 -10.116 1.00 0.00 C ATOM 728 CG GLU 1 67 -2.692 -0.520 -10.949 1.00 0.00 C ATOM 729 CD GLU 1 67 -2.765 -0.142 -12.416 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -1.707 0.170 -13.002 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -3.881 -0.156 -12.978 1.00 0.00 O ATOM 0 H GLU 1 67 -0.992 -0.857 -8.284 1.00 0.00 H new ATOM 0 HA GLU 1 67 -0.117 -0.243 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -2.390 0.543 -9.118 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -2.098 1.497 -10.559 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -2.195 -1.485 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -3.702 -0.640 -10.558 1.00 0.00 H new ATOM 738 N GLY 1 68 0.051 2.217 -8.693 1.00 0.00 N ATOM 739 CA GLY 1 68 0.744 3.456 -8.410 1.00 0.00 C ATOM 740 C GLY 1 68 2.225 3.218 -8.211 1.00 0.00 C ATOM 741 O GLY 1 68 3.049 4.074 -8.524 1.00 0.00 O ATOM 0 H GLY 1 68 -0.622 1.927 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 0.592 4.157 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 0.323 3.916 -7.516 1.00 0.00 H new ATOM 745 N LEU 1 69 2.553 2.033 -7.700 1.00 0.00 N ATOM 746 CA LEU 1 69 3.937 1.642 -7.462 1.00 0.00 C ATOM 747 C LEU 1 69 4.619 1.324 -8.782 1.00 0.00 C ATOM 748 O LEU 1 69 5.795 1.624 -8.983 1.00 0.00 O ATOM 749 CB LEU 1 69 3.991 0.412 -6.534 1.00 0.00 C ATOM 750 CG LEU 1 69 3.854 0.706 -5.032 1.00 0.00 C ATOM 751 CD1 LEU 1 69 4.457 -0.427 -4.217 1.00 0.00 C ATOM 752 CD2 LEU 1 69 4.523 2.026 -4.669 1.00 0.00 C ATOM 0 H LEU 1 69 1.869 1.322 -7.441 1.00 0.00 H new ATOM 0 HA LEU 1 69 4.458 2.469 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 3.197 -0.275 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 4.936 -0.105 -6.700 1.00 0.00 H new ATOM 0 HG LEU 1 69 2.792 0.787 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 4.353 -0.206 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 3.937 -1.357 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 5.513 -0.531 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 4.411 2.209 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 5.583 1.978 -4.920 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 4.055 2.837 -5.227 1.00 0.00 H new ATOM 764 N LYS 1 70 3.860 0.718 -9.681 1.00 0.00 N ATOM 765 CA LYS 1 70 4.370 0.353 -10.989 1.00 0.00 C ATOM 766 C LYS 1 70 4.686 1.593 -11.821 1.00 0.00 C ATOM 767 O LYS 1 70 5.381 1.512 -12.834 1.00 0.00 O ATOM 768 CB LYS 1 70 3.357 -0.528 -11.723 1.00 0.00 C ATOM 769 CG LYS 1 70 3.719 -0.796 -13.174 1.00 0.00 C ATOM 770 CD LYS 1 70 2.930 -1.964 -13.740 1.00 0.00 C ATOM 771 CE LYS 1 70 2.542 -1.716 -15.184 1.00 0.00 C ATOM 772 NZ LYS 1 70 1.834 -2.883 -15.780 1.00 0.00 N ATOM 0 H LYS 1 70 2.883 0.468 -9.525 1.00 0.00 H new ATOM 0 HA LYS 1 70 5.295 -0.207 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 3.269 -1.479 -11.198 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 2.378 -0.050 -11.684 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 3.526 0.097 -13.769 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 4.786 -1.005 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 3.525 -2.875 -13.672 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 2.033 -2.124 -13.142 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 1.902 -0.836 -15.241 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 3.437 -1.498 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 1.587 -2.672 -16.768 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 2.454 -3.718 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 0.967 -3.076 -15.240 1.00 0.00 H new ATOM 786 N ALA 1 71 4.156 2.734 -11.397 1.00 0.00 N ATOM 787 CA ALA 1 71 4.363 3.985 -12.113 1.00 0.00 C ATOM 788 C ALA 1 71 5.457 4.849 -11.488 1.00 0.00 C ATOM 789 O ALA 1 71 5.784 5.913 -12.012 1.00 0.00 O ATOM 790 CB ALA 1 71 3.055 4.756 -12.193 1.00 0.00 C ATOM 0 H ALA 1 71 3.579 2.818 -10.560 1.00 0.00 H new ATOM 0 HA ALA 1 71 4.702 3.732 -13.118 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 3.216 5.691 -12.730 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 2.312 4.158 -12.721 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 2.698 4.972 -11.186 1.00 0.00 H new ATOM 796 N LEU 1 72 6.009 4.408 -10.363 1.00 0.00 N ATOM 797 CA LEU 1 72 7.048 5.178 -9.684 1.00 0.00 C ATOM 798 C LEU 1 72 8.369 4.414 -9.599 1.00 0.00 C ATOM 799 O LEU 1 72 9.205 4.712 -8.748 1.00 0.00 O ATOM 800 CB LEU 1 72 6.578 5.564 -8.281 1.00 0.00 C ATOM 801 CG LEU 1 72 5.779 4.486 -7.554 1.00 0.00 C ATOM 802 CD1 LEU 1 72 6.716 3.459 -6.939 1.00 0.00 C ATOM 803 CD2 LEU 1 72 4.890 5.110 -6.488 1.00 0.00 C ATOM 0 H LEU 1 72 5.759 3.532 -9.905 1.00 0.00 H new ATOM 0 HA LEU 1 72 7.227 6.077 -10.274 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.450 5.819 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 5.966 6.463 -8.353 1.00 0.00 H new ATOM 0 HG LEU 1 72 5.140 3.979 -8.277 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 6.132 2.696 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 7.310 2.992 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 7.379 3.951 -6.227 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 4.327 4.327 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 5.508 5.641 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 4.197 5.809 -6.956 1.00 0.00 H new ATOM 815 N GLY 1 73 8.567 3.442 -10.486 1.00 0.00 N ATOM 816 CA GLY 1 73 9.809 2.684 -10.473 1.00 0.00 C ATOM 817 C GLY 1 73 9.614 1.185 -10.359 1.00 0.00 C ATOM 818 O GLY 1 73 10.557 0.422 -10.562 1.00 0.00 O ATOM 0 H GLY 1 73 7.899 3.167 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 10.364 2.900 -11.386 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 10.422 3.025 -9.639 1.00 0.00 H new ATOM 822 N TYR 1 74 8.405 0.748 -10.022 1.00 0.00 N ATOM 823 CA TYR 1 74 8.139 -0.675 -9.874 1.00 0.00 C ATOM 824 C TYR 1 74 7.357 -1.233 -11.058 1.00 0.00 C ATOM 825 O TYR 1 74 6.895 -0.488 -11.922 1.00 0.00 O ATOM 826 CB TYR 1 74 7.384 -0.921 -8.574 1.00 0.00 C ATOM 827 CG TYR 1 74 8.154 -0.475 -7.351 1.00 0.00 C ATOM 828 CD1 TYR 1 74 9.454 -0.911 -7.131 1.00 0.00 C ATOM 829 CD2 TYR 1 74 7.589 0.390 -6.424 1.00 0.00 C ATOM 830 CE1 TYR 1 74 10.168 -0.499 -6.022 1.00 0.00 C ATOM 831 CE2 TYR 1 74 8.295 0.807 -5.311 1.00 0.00 C ATOM 832 CZ TYR 1 74 9.585 0.360 -5.116 1.00 0.00 C ATOM 833 OH TYR 1 74 10.293 0.771 -4.011 1.00 0.00 O ATOM 0 H TYR 1 74 7.602 1.353 -9.848 1.00 0.00 H new ATOM 0 HA TYR 1 74 9.096 -1.197 -9.845 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 6.430 -0.394 -8.609 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 7.158 -1.984 -8.487 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 9.915 -1.584 -7.839 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 6.580 0.744 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 11.178 -0.849 -5.866 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 7.839 1.479 -4.599 1.00 0.00 H new ATOM 0 HH TYR 1 74 11.249 0.791 -4.224 1.00 0.00 H new ATOM 843 N TYR 1 75 7.219 -2.556 -11.091 1.00 0.00 N ATOM 844 CA TYR 1 75 6.491 -3.228 -12.160 1.00 0.00 C ATOM 845 C TYR 1 75 5.380 -4.103 -11.585 1.00 0.00 C ATOM 846 O TYR 1 75 4.261 -4.116 -12.095 1.00 0.00 O ATOM 847 CB TYR 1 75 7.443 -4.074 -13.004 1.00 0.00 C ATOM 848 CG TYR 1 75 8.048 -3.318 -14.163 1.00 0.00 C ATOM 849 CD1 TYR 1 75 7.294 -3.017 -15.290 1.00 0.00 C ATOM 850 CD2 TYR 1 75 9.372 -2.901 -14.128 1.00 0.00 C ATOM 851 CE1 TYR 1 75 7.842 -2.324 -16.351 1.00 0.00 C ATOM 852 CE2 TYR 1 75 9.929 -2.207 -15.185 1.00 0.00 C ATOM 853 CZ TYR 1 75 9.160 -1.921 -16.294 1.00 0.00 C ATOM 854 OH TYR 1 75 9.710 -1.229 -17.349 1.00 0.00 O ATOM 0 H TYR 1 75 7.604 -3.185 -10.386 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.040 -2.467 -12.797 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 8.244 -4.451 -12.368 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 6.905 -4.941 -13.387 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 6.262 -3.330 -15.337 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 9.976 -3.123 -13.261 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 7.242 -2.099 -17.220 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 10.961 -1.890 -15.143 1.00 0.00 H new ATOM 0 HH TYR 1 75 10.646 -1.019 -17.150 1.00 0.00 H new ATOM 864 N GLN 1 76 5.692 -4.829 -10.515 1.00 0.00 N ATOM 865 CA GLN 1 76 4.712 -5.696 -9.873 1.00 0.00 C ATOM 866 C GLN 1 76 5.149 -6.081 -8.458 1.00 0.00 C ATOM 867 O GLN 1 76 5.226 -7.264 -8.125 1.00 0.00 O ATOM 868 CB GLN 1 76 4.491 -6.957 -10.711 1.00 0.00 C ATOM 869 CG GLN 1 76 5.755 -7.483 -11.374 1.00 0.00 C ATOM 870 CD GLN 1 76 5.783 -7.222 -12.868 1.00 0.00 C ATOM 871 OE1 GLN 1 76 4.747 -6.979 -13.487 1.00 0.00 O ATOM 872 NE2 GLN 1 76 6.972 -7.273 -13.455 1.00 0.00 N ATOM 0 H GLN 1 76 6.613 -4.834 -10.076 1.00 0.00 H new ATOM 0 HA GLN 1 76 3.776 -5.143 -9.800 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 4.075 -7.737 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 3.749 -6.745 -11.481 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 6.625 -7.016 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 5.835 -8.555 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 7.805 -7.478 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 7.053 -7.107 -14.458 1.00 0.00 H new ATOM 881 N PRO 1 77 5.440 -5.085 -7.599 1.00 0.00 N ATOM 882 CA PRO 1 77 5.867 -5.335 -6.218 1.00 0.00 C ATOM 883 C PRO 1 77 4.908 -6.234 -5.456 1.00 0.00 C ATOM 884 O PRO 1 77 3.698 -6.009 -5.460 1.00 0.00 O ATOM 885 CB PRO 1 77 5.872 -3.941 -5.587 1.00 0.00 C ATOM 886 CG PRO 1 77 6.082 -3.015 -6.723 1.00 0.00 C ATOM 887 CD PRO 1 77 5.384 -3.641 -7.901 1.00 0.00 C ATOM 0 HA PRO 1 77 6.829 -5.847 -6.189 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 4.932 -3.734 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 6.665 -3.845 -4.846 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 5.671 -2.029 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.144 -2.880 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 4.357 -3.289 -7.994 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 5.888 -3.406 -8.839 1.00 0.00 H new ATOM 895 N THR 1 78 5.452 -7.236 -4.774 1.00 0.00 N ATOM 896 CA THR 1 78 4.626 -8.133 -3.984 1.00 0.00 C ATOM 897 C THR 1 78 4.190 -7.413 -2.717 1.00 0.00 C ATOM 898 O THR 1 78 4.979 -7.239 -1.788 1.00 0.00 O ATOM 899 CB THR 1 78 5.397 -9.407 -3.633 1.00 0.00 C ATOM 900 OG1 THR 1 78 6.358 -9.703 -4.630 1.00 0.00 O ATOM 901 CG2 THR 1 78 4.506 -10.621 -3.478 1.00 0.00 C ATOM 0 H THR 1 78 6.450 -7.444 -4.754 1.00 0.00 H new ATOM 0 HA THR 1 78 3.749 -8.421 -4.563 1.00 0.00 H new ATOM 0 HB THR 1 78 5.874 -9.201 -2.675 1.00 0.00 H new ATOM 0 HG1 THR 1 78 7.191 -9.225 -4.434 1.00 0.00 H new ATOM 0 HG21 THR 1 78 5.115 -11.490 -3.229 1.00 0.00 H new ATOM 0 HG22 THR 1 78 3.785 -10.443 -2.680 1.00 0.00 H new ATOM 0 HG23 THR 1 78 3.976 -10.805 -4.412 1.00 0.00 H new ATOM 909 N ILE 1 79 2.940 -6.971 -2.694 1.00 0.00 N ATOM 910 CA ILE 1 79 2.416 -6.243 -1.550 1.00 0.00 C ATOM 911 C ILE 1 79 1.394 -7.067 -0.775 1.00 0.00 C ATOM 912 O ILE 1 79 0.296 -7.335 -1.261 1.00 0.00 O ATOM 913 CB ILE 1 79 1.782 -4.907 -1.993 1.00 0.00 C ATOM 914 CG1 ILE 1 79 2.802 -4.073 -2.781 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.273 -4.131 -0.785 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.303 -3.605 -4.133 1.00 0.00 C ATOM 0 H ILE 1 79 2.272 -7.104 -3.454 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.258 -6.038 -0.889 1.00 0.00 H new ATOM 0 HB ILE 1 79 0.933 -5.121 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.081 -3.203 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 3.706 -4.664 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 0.829 -3.192 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.522 -4.723 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.103 -3.922 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.081 -3.023 -4.627 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.052 -4.470 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.416 -2.985 -3.999 1.00 0.00 H new ATOM 928 N GLU 1 80 1.766 -7.456 0.441 1.00 0.00 N ATOM 929 CA GLU 1 80 0.888 -8.242 1.299 1.00 0.00 C ATOM 930 C GLU 1 80 0.208 -7.344 2.327 1.00 0.00 C ATOM 931 O GLU 1 80 0.586 -6.183 2.494 1.00 0.00 O ATOM 932 CB GLU 1 80 1.680 -9.343 2.007 1.00 0.00 C ATOM 933 CG GLU 1 80 2.269 -10.374 1.059 1.00 0.00 C ATOM 934 CD GLU 1 80 3.227 -11.323 1.751 1.00 0.00 C ATOM 935 OE1 GLU 1 80 3.797 -10.935 2.793 1.00 0.00 O ATOM 936 OE2 GLU 1 80 3.407 -12.454 1.252 1.00 0.00 O ATOM 0 H GLU 1 80 2.673 -7.238 0.855 1.00 0.00 H new ATOM 0 HA GLU 1 80 0.123 -8.706 0.677 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.487 -8.887 2.581 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 1.027 -9.848 2.719 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 1.461 -10.947 0.604 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 2.791 -9.862 0.251 1.00 0.00 H new ATOM 943 N PHE 1 81 -0.798 -7.880 3.011 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.524 -7.110 4.013 1.00 0.00 C ATOM 945 C PHE 1 81 -1.783 -7.929 5.273 1.00 0.00 C ATOM 946 O PHE 1 81 -1.867 -9.156 5.226 1.00 0.00 O ATOM 947 CB PHE 1 81 -2.849 -6.613 3.437 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.703 -5.895 2.126 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -2.296 -4.571 2.090 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.971 -6.544 0.932 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -2.160 -3.907 0.886 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.837 -5.885 -0.275 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.430 -4.565 -0.298 1.00 0.00 C ATOM 0 H PHE 1 81 -1.127 -8.838 2.891 1.00 0.00 H new ATOM 0 HA PHE 1 81 -0.903 -6.257 4.288 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.519 -7.462 3.304 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -3.321 -5.945 4.157 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -2.083 -4.052 3.013 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.288 -7.576 0.945 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.843 -2.875 0.871 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -3.050 -6.401 -1.199 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -2.323 -4.048 -1.240 1.00 0.00 H new ATOM 963 N ASP 1 82 -1.919 -7.233 6.398 1.00 0.00 N ATOM 964 CA ASP 1 82 -2.180 -7.881 7.679 1.00 0.00 C ATOM 965 C ASP 1 82 -3.224 -7.097 8.469 1.00 0.00 C ATOM 966 O ASP 1 82 -2.899 -6.137 9.167 1.00 0.00 O ATOM 967 CB ASP 1 82 -0.889 -7.999 8.491 1.00 0.00 C ATOM 968 CG ASP 1 82 -1.096 -8.730 9.803 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -1.180 -9.976 9.781 1.00 0.00 O ATOM 970 OD2 ASP 1 82 -1.173 -8.057 10.852 1.00 0.00 O ATOM 0 H ASP 1 82 -1.852 -6.216 6.448 1.00 0.00 H new ATOM 0 HA ASP 1 82 -2.565 -8.882 7.485 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 -0.138 -8.524 7.900 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -0.497 -7.002 8.692 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.481 -7.508 8.340 1.00 0.00 N ATOM 976 CA LEU 1 83 -5.582 -6.844 9.025 1.00 0.00 C ATOM 977 C LEU 1 83 -5.523 -7.055 10.534 1.00 0.00 C ATOM 978 O LEU 1 83 -5.297 -8.166 11.013 1.00 0.00 O ATOM 979 CB LEU 1 83 -6.912 -7.363 8.479 1.00 0.00 C ATOM 980 CG LEU 1 83 -8.112 -6.423 8.634 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -7.730 -4.985 8.308 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -9.249 -6.888 7.740 1.00 0.00 C ATOM 0 H LEU 1 83 -4.763 -8.302 7.764 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.495 -5.773 8.839 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.785 -7.587 7.420 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -7.145 -8.304 8.978 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.440 -6.451 9.673 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -8.601 -4.341 8.427 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -6.941 -4.656 8.984 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -7.374 -4.927 7.279 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -10.100 -6.216 7.854 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -8.920 -6.884 6.701 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -9.544 -7.898 8.023 1.00 0.00 H new ATOM 994 N ARG 1 84 -5.749 -5.974 11.272 1.00 0.00 N ATOM 995 CA ARG 1 84 -5.748 -6.013 12.728 1.00 0.00 C ATOM 996 C ARG 1 84 -6.906 -5.176 13.262 1.00 0.00 C ATOM 997 O ARG 1 84 -6.767 -3.969 13.474 1.00 0.00 O ATOM 998 CB ARG 1 84 -4.417 -5.511 13.312 1.00 0.00 C ATOM 999 CG ARG 1 84 -3.467 -4.896 12.304 1.00 0.00 C ATOM 1000 CD ARG 1 84 -2.285 -5.805 12.044 1.00 0.00 C ATOM 1001 NE ARG 1 84 -1.242 -5.654 13.056 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -0.524 -4.545 13.222 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -0.730 -3.489 12.445 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 0.403 -4.492 14.168 1.00 0.00 N ATOM 0 H ARG 1 84 -5.937 -5.051 10.880 1.00 0.00 H new ATOM 0 HA ARG 1 84 -5.870 -7.051 13.038 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -4.632 -4.772 14.084 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -3.914 -6.346 13.801 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -3.996 -4.706 11.370 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -3.115 -3.933 12.672 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -2.623 -6.841 12.024 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -1.869 -5.586 11.060 1.00 0.00 H new ATOM 0 HE ARG 1 84 -1.053 -6.445 13.672 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -1.442 -3.524 11.715 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 -0.176 -2.643 12.578 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 0.566 -5.300 14.768 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 0.953 -3.643 14.296 1.00 0.00 H new ATOM 1018 N PRO 1 85 -8.076 -5.806 13.468 1.00 0.00 N ATOM 1019 CA PRO 1 85 -9.271 -5.119 13.959 1.00 0.00 C ATOM 1020 C PRO 1 85 -9.039 -4.266 15.212 1.00 0.00 C ATOM 1021 O PRO 1 85 -9.723 -3.262 15.399 1.00 0.00 O ATOM 1022 CB PRO 1 85 -10.266 -6.252 14.262 1.00 0.00 C ATOM 1023 CG PRO 1 85 -9.508 -7.530 14.104 1.00 0.00 C ATOM 1024 CD PRO 1 85 -8.336 -7.231 13.215 1.00 0.00 C ATOM 0 HA PRO 1 85 -9.623 -4.406 13.214 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -10.665 -6.159 15.272 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -11.115 -6.217 13.579 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -9.174 -7.904 15.072 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -10.139 -8.302 13.665 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -7.473 -7.848 13.465 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -8.568 -7.418 12.167 1.00 0.00 H new ATOM 1032 N PRO 1 86 -8.107 -4.654 16.111 1.00 0.00 N ATOM 1033 CA PRO 1 86 -7.847 -3.922 17.340 1.00 0.00 C ATOM 1034 C PRO 1 86 -6.601 -3.034 17.279 1.00 0.00 C ATOM 1035 O PRO 1 86 -5.580 -3.352 17.889 1.00 0.00 O ATOM 1036 CB PRO 1 86 -7.631 -5.067 18.327 1.00 0.00 C ATOM 1037 CG PRO 1 86 -7.045 -6.188 17.512 1.00 0.00 C ATOM 1038 CD PRO 1 86 -7.255 -5.845 16.051 1.00 0.00 C ATOM 0 HA PRO 1 86 -8.649 -3.226 17.587 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -6.957 -4.771 19.131 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -8.570 -5.368 18.792 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -5.984 -6.306 17.730 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -7.528 -7.134 17.757 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -6.312 -5.641 15.545 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -7.737 -6.659 15.511 1.00 0.00 H new ATOM 1046 N PRO 1 87 -6.664 -1.898 16.559 1.00 0.00 N ATOM 1047 CA PRO 1 87 -5.531 -0.970 16.454 1.00 0.00 C ATOM 1048 C PRO 1 87 -5.122 -0.410 17.808 1.00 0.00 C ATOM 1049 O PRO 1 87 -5.749 -0.695 18.828 1.00 0.00 O ATOM 1050 CB PRO 1 87 -6.062 0.161 15.571 1.00 0.00 C ATOM 1051 CG PRO 1 87 -7.540 0.055 15.673 1.00 0.00 C ATOM 1052 CD PRO 1 87 -7.831 -1.411 15.805 1.00 0.00 C ATOM 0 HA PRO 1 87 -4.646 -1.465 16.054 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -5.710 1.133 15.917 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -5.727 0.049 14.540 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -7.914 0.608 16.535 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.025 0.473 14.791 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -8.764 -1.594 16.338 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -7.919 -1.897 14.833 1.00 0.00 H new ATOM 1060 N LYS 1 88 -4.069 0.395 17.806 1.00 0.00 N ATOM 1061 CA LYS 1 88 -3.575 1.007 19.030 1.00 0.00 C ATOM 1062 C LYS 1 88 -4.161 2.402 19.224 1.00 0.00 C ATOM 1063 O LYS 1 88 -4.426 2.822 20.350 1.00 0.00 O ATOM 1064 CB LYS 1 88 -2.053 1.096 19.002 1.00 0.00 C ATOM 1065 CG LYS 1 88 -1.516 1.796 17.769 1.00 0.00 C ATOM 1066 CD LYS 1 88 -0.959 3.173 18.098 1.00 0.00 C ATOM 1067 CE LYS 1 88 0.355 3.429 17.378 1.00 0.00 C ATOM 1068 NZ LYS 1 88 0.753 4.863 17.440 1.00 0.00 N ATOM 0 H LYS 1 88 -3.540 0.639 16.969 1.00 0.00 H new ATOM 0 HA LYS 1 88 -3.887 0.378 19.864 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -1.711 1.626 19.891 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -1.636 0.090 19.051 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -0.734 1.186 17.317 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -2.312 1.893 17.031 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -1.684 3.937 17.817 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -0.808 3.258 19.174 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 1.138 2.815 17.823 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 0.264 3.122 16.336 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 1.654 4.995 16.937 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 0.018 5.447 16.993 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 0.866 5.149 18.433 1.00 0.00 H new ATOM 1082 N LYS 1 89 -4.342 3.124 18.121 1.00 0.00 N ATOM 1083 CA LYS 1 89 -4.877 4.482 18.181 1.00 0.00 C ATOM 1084 C LYS 1 89 -6.022 4.688 17.204 1.00 0.00 C ATOM 1085 O LYS 1 89 -6.203 5.786 16.675 1.00 0.00 O ATOM 1086 CB LYS 1 89 -3.766 5.496 17.907 1.00 0.00 C ATOM 1087 CG LYS 1 89 -4.194 6.941 18.112 1.00 0.00 C ATOM 1088 CD LYS 1 89 -4.243 7.702 16.796 1.00 0.00 C ATOM 1089 CE LYS 1 89 -2.996 8.548 16.596 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -1.846 7.737 16.111 1.00 0.00 N ATOM 0 H LYS 1 89 -4.128 2.794 17.180 1.00 0.00 H new ATOM 0 HA LYS 1 89 -5.272 4.634 19.186 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -2.920 5.281 18.560 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -3.417 5.371 16.882 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.176 6.967 18.585 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -3.500 7.434 18.792 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.342 6.997 15.970 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -5.125 8.342 16.777 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -3.207 9.342 15.880 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -2.729 9.029 17.537 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -1.016 8.351 15.987 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -1.627 6.995 16.806 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -2.090 7.298 15.200 1.00 0.00 H new ATOM 1104 N GLY 1 90 -6.792 3.640 16.958 1.00 0.00 N ATOM 1105 CA GLY 1 90 -7.896 3.763 16.035 1.00 0.00 C ATOM 1106 C GLY 1 90 -8.974 2.718 16.249 1.00 0.00 C ATOM 1107 O GLY 1 90 -9.136 2.199 17.354 1.00 0.00 O ATOM 0 H GLY 1 90 -6.674 2.717 17.376 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -8.336 4.755 16.135 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -7.519 3.683 15.015 1.00 0.00 H new ATOM 1111 N ARG 1 91 -9.714 2.413 15.187 1.00 0.00 N ATOM 1112 CA ARG 1 91 -10.785 1.428 15.253 1.00 0.00 C ATOM 1113 C ARG 1 91 -10.392 0.145 14.526 1.00 0.00 C ATOM 1114 O ARG 1 91 -10.602 -0.958 15.032 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.064 2.003 14.647 1.00 0.00 C ATOM 1116 CG ARG 1 91 -12.888 2.810 15.635 1.00 0.00 C ATOM 1117 CD ARG 1 91 -12.210 4.123 15.995 1.00 0.00 C ATOM 1118 NE ARG 1 91 -12.058 4.283 17.439 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -13.042 4.666 18.250 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -14.248 4.929 17.763 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -12.819 4.786 19.552 1.00 0.00 N ATOM 0 H ARG 1 91 -9.590 2.837 14.268 1.00 0.00 H new ATOM 0 HA ARG 1 91 -10.963 1.186 16.301 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -11.803 2.637 13.799 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -12.673 1.186 14.259 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -13.870 3.013 15.209 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -13.048 2.223 16.540 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -11.230 4.167 15.520 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -12.794 4.953 15.598 1.00 0.00 H new ATOM 0 HE ARG 1 91 -11.145 4.090 17.850 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -14.425 4.838 16.763 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -14.998 5.222 18.389 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -11.894 4.585 19.932 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -13.573 5.079 20.174 1.00 0.00 H new ATOM 1135 N GLN 1 92 -9.819 0.298 13.335 1.00 0.00 N ATOM 1136 CA GLN 1 92 -9.392 -0.845 12.534 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.148 -0.496 11.718 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.109 0.537 11.051 1.00 0.00 O ATOM 1139 CB GLN 1 92 -10.524 -1.284 11.599 1.00 0.00 C ATOM 1140 CG GLN 1 92 -10.969 -2.721 11.808 1.00 0.00 C ATOM 1141 CD GLN 1 92 -10.236 -3.694 10.905 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -9.417 -3.295 10.077 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -10.530 -4.980 11.060 1.00 0.00 N ATOM 0 H GLN 1 92 -9.640 1.204 12.903 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.146 -1.666 13.208 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -11.379 -0.624 11.744 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -10.198 -1.161 10.566 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -10.804 -3.001 12.848 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -12.041 -2.796 11.624 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -11.216 -5.266 11.759 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -10.070 -5.682 10.480 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.129 -1.352 11.778 1.00 0.00 N ATOM 1153 CA VAL 1 93 -5.895 -1.111 11.047 1.00 0.00 C ATOM 1154 C VAL 1 93 -5.549 -2.266 10.113 1.00 0.00 C ATOM 1155 O VAL 1 93 -5.826 -3.429 10.409 1.00 0.00 O ATOM 1156 CB VAL 1 93 -4.716 -0.895 12.006 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -4.631 0.559 12.442 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -4.826 -1.822 13.205 1.00 0.00 C ATOM 0 H VAL 1 93 -7.137 -2.214 12.324 1.00 0.00 H new ATOM 0 HA VAL 1 93 -6.063 -0.211 10.455 1.00 0.00 H new ATOM 0 HB VAL 1 93 -3.795 -1.136 11.476 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -3.788 0.687 13.121 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -4.491 1.194 11.567 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -5.553 0.841 12.951 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -3.981 -1.654 13.873 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -5.756 -1.620 13.737 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -4.820 -2.858 12.866 1.00 0.00 H new ATOM 1168 N LEU 1 94 -4.925 -1.927 8.992 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.509 -2.914 8.002 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.096 -2.606 7.509 1.00 0.00 C ATOM 1171 O LEU 1 94 -2.857 -1.563 6.900 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.494 -2.937 6.825 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.239 -4.003 5.744 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -4.628 -3.371 4.504 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.345 -5.123 6.262 1.00 0.00 C ATOM 0 H LEU 1 94 -4.694 -0.965 8.744 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.507 -3.898 8.470 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.498 -3.085 7.222 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.481 -1.957 6.349 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.202 -4.440 5.479 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -4.455 -4.140 3.751 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -5.310 -2.620 4.105 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -3.681 -2.899 4.765 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.187 -5.857 5.472 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.385 -4.709 6.570 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -4.823 -5.605 7.115 1.00 0.00 H new ATOM 1187 N ILE 1 95 -2.162 -3.510 7.784 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.773 -3.321 7.375 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.587 -3.599 5.886 1.00 0.00 C ATOM 1190 O ILE 1 95 -1.320 -4.391 5.296 1.00 0.00 O ATOM 1191 CB ILE 1 95 0.178 -4.228 8.178 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 -0.062 -4.051 9.677 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.628 -3.921 7.830 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 0.740 -5.005 10.534 1.00 0.00 C ATOM 0 H ILE 1 95 -2.340 -4.379 8.287 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.528 -2.278 7.577 1.00 0.00 H new ATOM 0 HB ILE 1 95 -0.026 -5.266 7.914 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.185 -3.027 9.958 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -1.123 -4.191 9.886 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 2.286 -4.571 8.407 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 1.791 -4.092 6.766 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.847 -2.880 8.068 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 0.520 -4.822 11.586 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 0.476 -6.032 10.281 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 1.804 -4.849 10.354 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.403 -2.940 5.288 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.694 -3.114 3.869 1.00 0.00 C ATOM 1208 C ALA 1 96 2.195 -3.040 3.602 1.00 0.00 C ATOM 1209 O ALA 1 96 2.787 -1.960 3.622 1.00 0.00 O ATOM 1210 CB ALA 1 96 -0.043 -2.066 3.047 1.00 0.00 C ATOM 0 H ALA 1 96 1.017 -2.280 5.766 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.348 -4.104 3.571 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.183 -2.207 1.990 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -1.117 -2.168 3.205 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.276 -1.071 3.356 1.00 0.00 H new ATOM 1216 N LYS 1 97 2.805 -4.195 3.349 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.237 -4.261 3.074 1.00 0.00 C ATOM 1218 C LYS 1 97 4.488 -4.606 1.610 1.00 0.00 C ATOM 1219 O LYS 1 97 3.919 -5.562 1.086 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.906 -5.298 3.978 1.00 0.00 C ATOM 1221 CG LYS 1 97 4.634 -5.081 5.457 1.00 0.00 C ATOM 1222 CD LYS 1 97 5.319 -6.136 6.310 1.00 0.00 C ATOM 1223 CE LYS 1 97 4.669 -7.500 6.137 1.00 0.00 C ATOM 1224 NZ LYS 1 97 4.911 -8.383 7.311 1.00 0.00 N ATOM 0 H LYS 1 97 2.330 -5.097 3.329 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.669 -3.282 3.280 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.559 -6.292 3.695 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 5.982 -5.276 3.808 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 4.983 -4.091 5.751 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 3.559 -5.107 5.638 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 6.373 -6.197 6.039 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 5.276 -5.842 7.359 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 3.596 -7.375 5.992 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 5.059 -7.977 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 4.452 -9.303 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 5.934 -8.523 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 4.516 -7.940 8.165 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.335 -3.819 0.952 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.647 -4.042 -0.456 1.00 0.00 C ATOM 1240 C VAL 1 98 7.074 -4.556 -0.639 1.00 0.00 C ATOM 1241 O VAL 1 98 7.983 -4.168 0.095 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.469 -2.746 -1.271 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.407 -1.661 -0.763 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 5.688 -3.005 -2.756 1.00 0.00 C ATOM 0 H VAL 1 98 5.816 -3.023 1.370 1.00 0.00 H new ATOM 0 HA VAL 1 98 4.951 -4.798 -0.820 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.445 -2.398 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.266 -0.754 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.188 -1.452 0.284 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.439 -1.999 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.557 -2.076 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 6.698 -3.383 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 4.966 -3.742 -3.107 1.00 0.00 H new ATOM 1254 N THR 1 99 7.261 -5.430 -1.625 1.00 0.00 N ATOM 1255 CA THR 1 99 8.576 -5.995 -1.908 1.00 0.00 C ATOM 1256 C THR 1 99 8.684 -6.432 -3.369 1.00 0.00 C ATOM 1257 O THR 1 99 8.356 -7.569 -3.710 1.00 0.00 O ATOM 1258 CB THR 1 99 8.850 -7.185 -0.987 1.00 0.00 C ATOM 1259 OG1 THR 1 99 8.735 -6.804 0.373 1.00 0.00 O ATOM 1260 CG2 THR 1 99 10.224 -7.788 -1.180 1.00 0.00 C ATOM 0 H THR 1 99 6.518 -5.762 -2.241 1.00 0.00 H new ATOM 0 HA THR 1 99 9.321 -5.221 -1.725 1.00 0.00 H new ATOM 0 HB THR 1 99 8.103 -7.933 -1.252 1.00 0.00 H new ATOM 0 HG1 THR 1 99 8.912 -7.579 0.946 1.00 0.00 H new ATOM 0 HG21 THR 1 99 10.352 -8.627 -0.496 1.00 0.00 H new ATOM 0 HG22 THR 1 99 10.327 -8.138 -2.207 1.00 0.00 H new ATOM 0 HG23 THR 1 99 10.984 -7.034 -0.976 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.145 -5.530 -4.255 1.00 0.00 N ATOM 1269 CA PRO 1 100 9.297 -5.817 -5.674 1.00 0.00 C ATOM 1270 C PRO 1 100 10.673 -6.384 -6.013 1.00 0.00 C ATOM 1271 O PRO 1 100 10.822 -7.587 -6.230 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.105 -4.449 -6.330 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.303 -3.425 -5.249 1.00 0.00 C ATOM 1274 CD PRO 1 100 9.550 -4.158 -3.951 1.00 0.00 C ATOM 0 HA PRO 1 100 8.591 -6.574 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 9.821 -4.303 -7.139 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.110 -4.365 -6.767 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.147 -2.777 -5.487 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.424 -2.786 -5.164 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 10.597 -4.105 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 8.964 -3.737 -3.134 1.00 0.00 H new ATOM 1282 N GLY 1 101 11.678 -5.511 -6.059 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.025 -5.947 -6.375 1.00 0.00 C ATOM 1284 C GLY 1 101 13.853 -4.858 -7.032 1.00 0.00 C ATOM 1285 O GLY 1 101 14.929 -4.511 -6.546 1.00 0.00 O ATOM 0 H GLY 1 101 11.581 -4.511 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 13.521 -6.273 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 12.977 -6.811 -7.038 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.354 -4.321 -8.143 1.00 0.00 N ATOM 1290 CA VAL 1 102 14.062 -3.270 -8.867 1.00 0.00 C ATOM 1291 C VAL 1 102 13.280 -1.958 -8.858 1.00 0.00 C ATOM 1292 O VAL 1 102 12.056 -1.953 -8.727 1.00 0.00 O ATOM 1293 CB VAL 1 102 14.338 -3.681 -10.329 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 13.068 -3.601 -11.169 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 15.435 -2.813 -10.927 1.00 0.00 C ATOM 0 H VAL 1 102 12.465 -4.596 -8.560 1.00 0.00 H new ATOM 0 HA VAL 1 102 15.011 -3.122 -8.351 1.00 0.00 H new ATOM 0 HB VAL 1 102 14.677 -4.717 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 13.291 -3.896 -12.194 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 12.315 -4.271 -10.754 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 12.689 -2.579 -11.159 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 15.617 -3.116 -11.958 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 15.125 -1.768 -10.905 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 16.350 -2.932 -10.347 1.00 0.00 H new ATOM 1305 N LEU 1 103 13.997 -0.850 -9.011 1.00 0.00 N ATOM 1306 CA LEU 1 103 13.372 0.467 -9.036 1.00 0.00 C ATOM 1307 C LEU 1 103 14.039 1.364 -10.074 1.00 0.00 C ATOM 1308 O LEU 1 103 15.234 1.239 -10.340 1.00 0.00 O ATOM 1309 CB LEU 1 103 13.441 1.125 -7.658 1.00 0.00 C ATOM 1310 CG LEU 1 103 12.673 2.442 -7.540 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 11.227 2.181 -7.152 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.341 3.361 -6.530 1.00 0.00 C ATOM 0 H LEU 1 103 15.011 -0.838 -9.120 1.00 0.00 H new ATOM 0 HA LEU 1 103 12.325 0.335 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.053 0.426 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 14.487 1.306 -7.409 1.00 0.00 H new ATOM 0 HG LEU 1 103 12.684 2.936 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 10.695 3.129 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 10.752 1.561 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 11.195 1.665 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 12.780 4.293 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 13.362 2.876 -5.554 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.361 3.574 -6.851 1.00 0.00 H new ATOM 1324 N GLU 1 104 13.259 2.268 -10.657 1.00 0.00 N ATOM 1325 CA GLU 1 104 13.775 3.186 -11.666 1.00 0.00 C ATOM 1326 C GLU 1 104 14.831 4.111 -11.069 1.00 0.00 C ATOM 1327 O GLU 1 104 14.565 4.836 -10.111 1.00 0.00 O ATOM 1328 CB GLU 1 104 12.635 4.013 -12.264 1.00 0.00 C ATOM 1329 CG GLU 1 104 11.908 3.313 -13.401 1.00 0.00 C ATOM 1330 CD GLU 1 104 12.660 3.399 -14.714 1.00 0.00 C ATOM 1331 OE1 GLU 1 104 13.013 4.525 -15.124 1.00 0.00 O ATOM 1332 OE2 GLU 1 104 12.896 2.340 -15.334 1.00 0.00 O ATOM 0 H GLU 1 104 12.267 2.385 -10.448 1.00 0.00 H new ATOM 0 HA GLU 1 104 14.239 2.596 -12.456 1.00 0.00 H new ATOM 0 HB2 GLU 1 104 11.919 4.251 -11.478 1.00 0.00 H new ATOM 0 HB3 GLU 1 104 13.036 4.959 -12.628 1.00 0.00 H new ATOM 0 HG2 GLU 1 104 11.758 2.265 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU 1 104 10.920 3.756 -13.523 1.00 0.00 H new ATOM 1339 N HIS 1 105 16.030 4.080 -11.642 1.00 0.00 N ATOM 1340 CA HIS 1 105 17.126 4.916 -11.166 1.00 0.00 C ATOM 1341 C HIS 1 105 17.094 6.287 -11.833 1.00 0.00 C ATOM 1342 O HIS 1 105 16.600 6.434 -12.950 1.00 0.00 O ATOM 1343 CB HIS 1 105 18.470 4.236 -11.435 1.00 0.00 C ATOM 1344 CG HIS 1 105 18.618 3.736 -12.839 1.00 0.00 C ATOM 1345 ND1 HIS 1 105 19.182 4.486 -13.850 1.00 0.00 N ATOM 1346 CD2 HIS 1 105 18.274 2.552 -13.399 1.00 0.00 C ATOM 1347 CE1 HIS 1 105 19.177 3.785 -14.970 1.00 0.00 C ATOM 1348 NE2 HIS 1 105 18.632 2.609 -14.723 1.00 0.00 N ATOM 0 H HIS 1 105 16.267 3.485 -12.436 1.00 0.00 H new ATOM 0 HA HIS 1 105 17.005 5.052 -10.091 1.00 0.00 H new ATOM 0 HB2 HIS 1 105 19.274 4.941 -11.223 1.00 0.00 H new ATOM 0 HB3 HIS 1 105 18.589 3.400 -10.746 1.00 0.00 H new ATOM 0 HD2 HIS 1 105 17.805 1.718 -12.897 1.00 0.00 H new ATOM 0 HE1 HIS 1 105 19.555 4.118 -15.925 1.00 0.00 H new ATOM 0 HE2 HIS 1 105 18.498 1.863 -15.406 1.00 0.00 H new ATOM 1357 N HIS 1 106 17.625 7.289 -11.139 1.00 0.00 N ATOM 1358 CA HIS 1 106 17.658 8.650 -11.664 1.00 0.00 C ATOM 1359 C HIS 1 106 19.032 8.982 -12.239 1.00 0.00 C ATOM 1360 O HIS 1 106 19.444 10.142 -12.255 1.00 0.00 O ATOM 1361 CB HIS 1 106 17.297 9.651 -10.565 1.00 0.00 C ATOM 1362 CG HIS 1 106 17.098 11.047 -11.069 1.00 0.00 C ATOM 1363 ND1 HIS 1 106 16.268 11.355 -12.126 1.00 0.00 N ATOM 1364 CD2 HIS 1 106 17.628 12.222 -10.654 1.00 0.00 C ATOM 1365 CE1 HIS 1 106 16.296 12.658 -12.340 1.00 0.00 C ATOM 1366 NE2 HIS 1 106 17.113 13.207 -11.460 1.00 0.00 N ATOM 0 H HIS 1 106 18.038 7.184 -10.212 1.00 0.00 H new ATOM 0 HA HIS 1 106 16.924 8.720 -12.467 1.00 0.00 H new ATOM 0 HB2 HIS 1 106 16.385 9.319 -10.068 1.00 0.00 H new ATOM 0 HB3 HIS 1 106 18.087 9.654 -9.814 1.00 0.00 H new ATOM 0 HD2 HIS 1 106 18.326 12.359 -9.841 1.00 0.00 H new ATOM 0 HE1 HIS 1 106 15.744 13.185 -13.105 1.00 0.00 H new ATOM 0 HE2 HIS 1 106 17.327 14.202 -11.390 1.00 0.00 H new ATOM 1375 N HIS 1 107 19.736 7.957 -12.711 1.00 0.00 N ATOM 1376 CA HIS 1 107 21.064 8.139 -13.288 1.00 0.00 C ATOM 1377 C HIS 1 107 22.053 8.639 -12.238 1.00 0.00 C ATOM 1378 O HIS 1 107 22.853 7.867 -11.709 1.00 0.00 O ATOM 1379 CB HIS 1 107 21.004 9.117 -14.465 1.00 0.00 C ATOM 1380 CG HIS 1 107 21.368 8.496 -15.778 1.00 0.00 C ATOM 1381 ND1 HIS 1 107 22.500 8.841 -16.485 1.00 0.00 N ATOM 1382 CD2 HIS 1 107 20.742 7.546 -16.512 1.00 0.00 C ATOM 1383 CE1 HIS 1 107 22.555 8.130 -17.598 1.00 0.00 C ATOM 1384 NE2 HIS 1 107 21.501 7.337 -17.638 1.00 0.00 N ATOM 0 H HIS 1 107 19.408 6.991 -12.705 1.00 0.00 H new ATOM 0 HA HIS 1 107 21.411 7.171 -13.650 1.00 0.00 H new ATOM 0 HB2 HIS 1 107 19.997 9.529 -14.534 1.00 0.00 H new ATOM 0 HB3 HIS 1 107 21.677 9.952 -14.268 1.00 0.00 H new ATOM 0 HD2 HIS 1 107 19.819 7.046 -16.260 1.00 0.00 H new ATOM 0 HE1 HIS 1 107 23.331 8.188 -18.347 1.00 0.00 H new ATOM 0 HE2 HIS 1 107 21.285 6.676 -18.384 1.00 0.00 H new ATOM 1393 N HIS 1 108 21.992 9.934 -11.941 1.00 0.00 N ATOM 1394 CA HIS 1 108 22.882 10.538 -10.955 1.00 0.00 C ATOM 1395 C HIS 1 108 24.332 10.494 -11.431 1.00 0.00 C ATOM 1396 O HIS 1 108 24.876 11.499 -11.887 1.00 0.00 O ATOM 1397 CB HIS 1 108 22.749 9.825 -9.607 1.00 0.00 C ATOM 1398 CG HIS 1 108 21.892 10.561 -8.623 1.00 0.00 C ATOM 1399 ND1 HIS 1 108 21.844 11.937 -8.549 1.00 0.00 N ATOM 1400 CD2 HIS 1 108 21.046 10.105 -7.670 1.00 0.00 C ATOM 1401 CE1 HIS 1 108 21.007 12.295 -7.592 1.00 0.00 C ATOM 1402 NE2 HIS 1 108 20.509 11.202 -7.044 1.00 0.00 N ATOM 0 H HIS 1 108 21.335 10.586 -12.370 1.00 0.00 H new ATOM 0 HA HIS 1 108 22.592 11.581 -10.832 1.00 0.00 H new ATOM 0 HB2 HIS 1 108 22.330 8.832 -9.770 1.00 0.00 H new ATOM 0 HB3 HIS 1 108 23.742 9.686 -9.179 1.00 0.00 H new ATOM 0 HD2 HIS 1 108 20.833 9.071 -7.444 1.00 0.00 H new ATOM 0 HE1 HIS 1 108 20.770 13.309 -7.306 1.00 0.00 H new ATOM 0 HE2 HIS 1 108 19.834 11.177 -6.279 1.00 0.00 H new ATOM 1411 N HIS 1 109 24.952 9.323 -11.321 1.00 0.00 N ATOM 1412 CA HIS 1 109 26.338 9.150 -11.740 1.00 0.00 C ATOM 1413 C HIS 1 109 26.413 8.660 -13.182 1.00 0.00 C ATOM 1414 O HIS 1 109 25.388 8.455 -13.833 1.00 0.00 O ATOM 1415 CB HIS 1 109 27.052 8.162 -10.815 1.00 0.00 C ATOM 1416 CG HIS 1 109 27.602 8.795 -9.575 1.00 0.00 C ATOM 1417 ND1 HIS 1 109 28.890 9.278 -9.483 1.00 0.00 N ATOM 1418 CD2 HIS 1 109 27.030 9.022 -8.368 1.00 0.00 C ATOM 1419 CE1 HIS 1 109 29.087 9.775 -8.275 1.00 0.00 C ATOM 1420 NE2 HIS 1 109 27.974 9.633 -7.580 1.00 0.00 N ATOM 0 H HIS 1 109 24.517 8.481 -10.945 1.00 0.00 H new ATOM 0 HA HIS 1 109 26.834 10.119 -11.679 1.00 0.00 H new ATOM 0 HB2 HIS 1 109 26.355 7.373 -10.532 1.00 0.00 H new ATOM 0 HB3 HIS 1 109 27.866 7.687 -11.363 1.00 0.00 H new ATOM 0 HD2 HIS 1 109 26.020 8.770 -8.080 1.00 0.00 H new ATOM 0 HE1 HIS 1 109 30.003 10.222 -7.917 1.00 0.00 H new ATOM 0 HE2 HIS 1 109 27.837 9.929 -6.614 1.00 0.00 H new ATOM 1429 N HIS 1 110 27.632 8.474 -13.676 1.00 0.00 N ATOM 1430 CA HIS 1 110 27.841 8.008 -15.042 1.00 0.00 C ATOM 1431 C HIS 1 110 27.247 8.988 -16.048 1.00 0.00 C ATOM 1432 O HIS 1 110 27.140 10.187 -15.713 1.00 0.00 O ATOM 1433 CB HIS 1 110 27.218 6.624 -15.232 1.00 0.00 C ATOM 1434 CG HIS 1 110 28.105 5.503 -14.788 1.00 0.00 C ATOM 1435 ND1 HIS 1 110 28.762 4.669 -15.669 1.00 0.00 N ATOM 1436 CD2 HIS 1 110 28.444 5.078 -13.548 1.00 0.00 C ATOM 1437 CE1 HIS 1 110 29.466 3.780 -14.990 1.00 0.00 C ATOM 1438 NE2 HIS 1 110 29.290 4.007 -13.701 1.00 0.00 N ATOM 1439 OXT HIS 1 110 26.893 8.549 -17.163 1.00 0.00 O ATOM 0 H HIS 1 110 28.491 8.639 -13.151 1.00 0.00 H new ATOM 0 HA HIS 1 110 28.915 7.942 -15.216 1.00 0.00 H new ATOM 0 HB2 HIS 1 110 26.281 6.577 -14.677 1.00 0.00 H new ATOM 0 HB3 HIS 1 110 26.972 6.487 -16.285 1.00 0.00 H new ATOM 0 HD2 HIS 1 110 28.111 5.502 -12.612 1.00 0.00 H new ATOM 0 HE1 HIS 1 110 30.080 3.001 -15.417 1.00 0.00 H new ATOM 0 HE2 HIS 1 110 29.714 3.473 -12.942 1.00 0.00 H new TER 1448 HIS 1 110