USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=12 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 Single : 1 23 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.87) USER MOD Single : 1 27 GLN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : 1 32 SER OG : rot 180:sc= -0.0698 USER MOD Single : 1 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 37 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.298) USER MOD Single : 1 38 ASN : amide:sc= -9.06! C(o=-9.1!,f=-14!) USER MOD Single : 1 42 GLN : amide:sc= -3.51 K(o=-3.5,f=-2.9!) USER MOD Single : 1 44 SER OG : rot 180:sc= 0 USER MOD Single : 1 45 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 48 SER OG : rot 180:sc= -0.7 USER MOD Single : 1 52 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 70 LYS NZ :NH3+ -172:sc= -0.379 (180deg=-0.467) USER MOD Single : 1 74 TYR OH : rot 180:sc= 0 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 84:sc= 0.0256 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= -1.05 K(o=-1.1,f=-0.22) USER MOD Single : 1 97 LYS NZ :NH3+ 163:sc=-0.00129 (180deg=-0.117) USER MOD Single : 1 99 THR OG1 : rot 180:sc= -0.181 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN 1 23 -12.324 4.515 11.663 1.00 0.00 N ATOM 14 CA ASN 1 23 -11.002 4.623 12.270 1.00 0.00 C ATOM 15 C ASN 1 23 -10.048 3.588 11.682 1.00 0.00 C ATOM 16 O ASN 1 23 -9.882 2.500 12.233 1.00 0.00 O ATOM 17 CB ASN 1 23 -11.099 4.446 13.788 1.00 0.00 C ATOM 18 CG ASN 1 23 -10.744 5.713 14.542 1.00 0.00 C ATOM 19 OD1 ASN 1 23 -9.763 5.752 15.285 1.00 0.00 O ATOM 20 ND2 ASN 1 23 -11.542 6.757 14.353 1.00 0.00 N ATOM 0 HA ASN 1 23 -10.608 5.616 12.053 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 -12.112 4.141 14.051 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 -10.433 3.642 14.101 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -11.353 7.637 14.833 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -12.344 6.679 13.728 1.00 0.00 H new ATOM 27 N VAL 1 24 -9.422 3.934 10.562 1.00 0.00 N ATOM 28 CA VAL 1 24 -8.484 3.033 9.904 1.00 0.00 C ATOM 29 C VAL 1 24 -7.415 3.807 9.144 1.00 0.00 C ATOM 30 O VAL 1 24 -7.663 4.900 8.636 1.00 0.00 O ATOM 31 CB VAL 1 24 -9.205 2.078 8.932 1.00 0.00 C ATOM 32 CG1 VAL 1 24 -10.242 1.248 9.672 1.00 0.00 C ATOM 33 CG2 VAL 1 24 -9.847 2.854 7.793 1.00 0.00 C ATOM 0 H VAL 1 24 -9.547 4.831 10.092 1.00 0.00 H new ATOM 0 HA VAL 1 24 -8.010 2.445 10.690 1.00 0.00 H new ATOM 0 HB VAL 1 24 -8.466 1.400 8.505 1.00 0.00 H new ATOM 0 HG11 VAL 1 24 -10.741 0.580 8.970 1.00 0.00 H new ATOM 0 HG12 VAL 1 24 -9.751 0.660 10.447 1.00 0.00 H new ATOM 0 HG13 VAL 1 24 -10.978 1.909 10.130 1.00 0.00 H new ATOM 0 HG21 VAL 1 24 -10.350 2.161 7.119 1.00 0.00 H new ATOM 0 HG22 VAL 1 24 -10.573 3.559 8.197 1.00 0.00 H new ATOM 0 HG23 VAL 1 24 -9.078 3.399 7.245 1.00 0.00 H new ATOM 43 N ARG 1 25 -6.223 3.228 9.076 1.00 0.00 N ATOM 44 CA ARG 1 25 -5.106 3.855 8.385 1.00 0.00 C ATOM 45 C ARG 1 25 -4.177 2.801 7.792 1.00 0.00 C ATOM 46 O ARG 1 25 -3.721 1.897 8.493 1.00 0.00 O ATOM 47 CB ARG 1 25 -4.331 4.756 9.346 1.00 0.00 C ATOM 48 CG ARG 1 25 -4.088 4.129 10.712 1.00 0.00 C ATOM 49 CD ARG 1 25 -4.528 5.052 11.838 1.00 0.00 C ATOM 50 NE ARG 1 25 -5.908 5.500 11.672 1.00 0.00 N ATOM 51 CZ ARG 1 25 -6.605 6.122 12.620 1.00 0.00 C ATOM 52 NH1 ARG 1 25 -6.054 6.371 13.802 1.00 0.00 N ATOM 53 NH2 ARG 1 25 -7.855 6.497 12.386 1.00 0.00 N ATOM 0 H ARG 1 25 -6.006 2.323 9.493 1.00 0.00 H new ATOM 0 HA ARG 1 25 -5.503 4.461 7.571 1.00 0.00 H new ATOM 0 HB2 ARG 1 25 -3.371 5.010 8.897 1.00 0.00 H new ATOM 0 HB3 ARG 1 25 -4.879 5.689 9.477 1.00 0.00 H new ATOM 0 HG2 ARG 1 25 -4.630 3.186 10.781 1.00 0.00 H new ATOM 0 HG3 ARG 1 25 -3.029 3.897 10.823 1.00 0.00 H new ATOM 0 HD2 ARG 1 25 -4.428 4.534 12.792 1.00 0.00 H new ATOM 0 HD3 ARG 1 25 -3.868 5.918 11.875 1.00 0.00 H new ATOM 0 HE ARG 1 25 -6.365 5.326 10.777 1.00 0.00 H new ATOM 0 HH11 ARG 1 25 -5.092 6.085 13.987 1.00 0.00 H new ATOM 0 HH12 ARG 1 25 -6.592 6.848 14.525 1.00 0.00 H new ATOM 0 HH21 ARG 1 25 -8.283 6.309 11.479 1.00 0.00 H new ATOM 0 HH22 ARG 1 25 -8.389 6.974 13.113 1.00 0.00 H new ATOM 67 N LEU 1 26 -3.900 2.919 6.497 1.00 0.00 N ATOM 68 CA LEU 1 26 -3.025 1.972 5.816 1.00 0.00 C ATOM 69 C LEU 1 26 -1.563 2.231 6.166 1.00 0.00 C ATOM 70 O LEU 1 26 -1.011 3.277 5.827 1.00 0.00 O ATOM 71 CB LEU 1 26 -3.220 2.057 4.298 1.00 0.00 C ATOM 72 CG LEU 1 26 -3.316 0.715 3.570 1.00 0.00 C ATOM 73 CD1 LEU 1 26 -2.305 -0.283 4.118 1.00 0.00 C ATOM 74 CD2 LEU 1 26 -4.726 0.168 3.678 1.00 0.00 C ATOM 0 H LEU 1 26 -4.268 3.659 5.900 1.00 0.00 H new ATOM 0 HA LEU 1 26 -3.290 0.970 6.153 1.00 0.00 H new ATOM 0 HB2 LEU 1 26 -4.128 2.625 4.097 1.00 0.00 H new ATOM 0 HB3 LEU 1 26 -2.390 2.622 3.874 1.00 0.00 H new ATOM 0 HG LEU 1 26 -3.080 0.876 2.518 1.00 0.00 H new ATOM 0 HD11 LEU 1 26 -2.398 -1.227 3.581 1.00 0.00 H new ATOM 0 HD12 LEU 1 26 -1.297 0.111 3.988 1.00 0.00 H new ATOM 0 HD13 LEU 1 26 -2.495 -0.449 5.178 1.00 0.00 H new ATOM 0 HD21 LEU 1 26 -4.786 -0.788 3.157 1.00 0.00 H new ATOM 0 HD22 LEU 1 26 -4.982 0.026 4.728 1.00 0.00 H new ATOM 0 HD23 LEU 1 26 -5.425 0.872 3.226 1.00 0.00 H new ATOM 86 N GLN 1 27 -0.940 1.272 6.843 1.00 0.00 N ATOM 87 CA GLN 1 27 0.460 1.401 7.230 1.00 0.00 C ATOM 88 C GLN 1 27 1.376 1.058 6.058 1.00 0.00 C ATOM 89 O GLN 1 27 1.437 -0.090 5.622 1.00 0.00 O ATOM 90 CB GLN 1 27 0.768 0.495 8.425 1.00 0.00 C ATOM 91 CG GLN 1 27 0.981 1.255 9.724 1.00 0.00 C ATOM 92 CD GLN 1 27 1.358 0.345 10.876 1.00 0.00 C ATOM 93 OE1 GLN 1 27 2.453 -0.217 10.906 1.00 0.00 O ATOM 94 NE2 GLN 1 27 0.450 0.194 11.833 1.00 0.00 N ATOM 0 H GLN 1 27 -1.381 0.400 7.134 1.00 0.00 H new ATOM 0 HA GLN 1 27 0.642 2.436 7.519 1.00 0.00 H new ATOM 0 HB2 GLN 1 27 -0.052 -0.211 8.557 1.00 0.00 H new ATOM 0 HB3 GLN 1 27 1.661 -0.091 8.206 1.00 0.00 H new ATOM 0 HG2 GLN 1 27 1.765 1.998 9.581 1.00 0.00 H new ATOM 0 HG3 GLN 1 27 0.070 1.797 9.977 1.00 0.00 H new ATOM 0 HE21 GLN 1 27 -0.445 0.679 11.768 1.00 0.00 H new ATOM 0 HE22 GLN 1 27 0.648 -0.407 12.633 1.00 0.00 H new ATOM 103 N VAL 1 28 2.085 2.062 5.552 1.00 0.00 N ATOM 104 CA VAL 1 28 2.994 1.862 4.426 1.00 0.00 C ATOM 105 C VAL 1 28 4.354 1.356 4.891 1.00 0.00 C ATOM 106 O VAL 1 28 4.900 1.834 5.886 1.00 0.00 O ATOM 107 CB VAL 1 28 3.202 3.156 3.610 1.00 0.00 C ATOM 108 CG1 VAL 1 28 2.098 3.322 2.577 1.00 0.00 C ATOM 109 CG2 VAL 1 28 3.281 4.372 4.524 1.00 0.00 C ATOM 0 H VAL 1 28 2.049 3.020 5.901 1.00 0.00 H new ATOM 0 HA VAL 1 28 2.523 1.114 3.789 1.00 0.00 H new ATOM 0 HB VAL 1 28 4.152 3.075 3.082 1.00 0.00 H new ATOM 0 HG11 VAL 1 28 2.263 4.240 2.013 1.00 0.00 H new ATOM 0 HG12 VAL 1 28 2.106 2.471 1.896 1.00 0.00 H new ATOM 0 HG13 VAL 1 28 1.133 3.375 3.081 1.00 0.00 H new ATOM 0 HG21 VAL 1 28 3.428 5.270 3.923 1.00 0.00 H new ATOM 0 HG22 VAL 1 28 2.354 4.462 5.091 1.00 0.00 H new ATOM 0 HG23 VAL 1 28 4.118 4.256 5.213 1.00 0.00 H new ATOM 119 N GLU 1 29 4.896 0.387 4.161 1.00 0.00 N ATOM 120 CA GLU 1 29 6.196 -0.184 4.494 1.00 0.00 C ATOM 121 C GLU 1 29 6.932 -0.637 3.236 1.00 0.00 C ATOM 122 O GLU 1 29 6.424 -1.454 2.468 1.00 0.00 O ATOM 123 CB GLU 1 29 6.027 -1.365 5.452 1.00 0.00 C ATOM 124 CG GLU 1 29 6.016 -0.963 6.917 1.00 0.00 C ATOM 125 CD GLU 1 29 4.993 -1.737 7.726 1.00 0.00 C ATOM 126 OE1 GLU 1 29 5.041 -2.985 7.705 1.00 0.00 O ATOM 127 OE2 GLU 1 29 4.145 -1.096 8.381 1.00 0.00 O ATOM 0 H GLU 1 29 4.456 -0.019 3.335 1.00 0.00 H new ATOM 0 HA GLU 1 29 6.790 0.590 4.981 1.00 0.00 H new ATOM 0 HB2 GLU 1 29 5.096 -1.881 5.218 1.00 0.00 H new ATOM 0 HB3 GLU 1 29 6.836 -2.076 5.285 1.00 0.00 H new ATOM 0 HG2 GLU 1 29 7.007 -1.124 7.342 1.00 0.00 H new ATOM 0 HG3 GLU 1 29 5.805 0.103 6.996 1.00 0.00 H new ATOM 134 N GLY 1 30 8.133 -0.104 3.035 1.00 0.00 N ATOM 135 CA GLY 1 30 8.925 -0.469 1.874 1.00 0.00 C ATOM 136 C GLY 1 30 8.798 0.527 0.738 1.00 0.00 C ATOM 137 O GLY 1 30 8.664 0.142 -0.424 1.00 0.00 O ATOM 0 H GLY 1 30 8.573 0.575 3.656 1.00 0.00 H new ATOM 0 HA2 GLY 1 30 9.972 -0.549 2.165 1.00 0.00 H new ATOM 0 HA3 GLY 1 30 8.615 -1.454 1.524 1.00 0.00 H new ATOM 141 N LEU 1 31 8.848 1.808 1.074 1.00 0.00 N ATOM 142 CA LEU 1 31 8.743 2.867 0.081 1.00 0.00 C ATOM 143 C LEU 1 31 9.699 4.008 0.406 1.00 0.00 C ATOM 144 O LEU 1 31 9.990 4.273 1.573 1.00 0.00 O ATOM 145 CB LEU 1 31 7.313 3.389 0.018 1.00 0.00 C ATOM 146 CG LEU 1 31 6.240 2.307 -0.071 1.00 0.00 C ATOM 147 CD1 LEU 1 31 4.872 2.897 0.211 1.00 0.00 C ATOM 148 CD2 LEU 1 31 6.269 1.645 -1.439 1.00 0.00 C ATOM 0 H LEU 1 31 8.961 2.140 2.032 1.00 0.00 H new ATOM 0 HA LEU 1 31 9.015 2.453 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU 1 31 7.124 3.997 0.903 1.00 0.00 H new ATOM 0 HB3 LEU 1 31 7.219 4.046 -0.846 1.00 0.00 H new ATOM 0 HG LEU 1 31 6.447 1.546 0.682 1.00 0.00 H new ATOM 0 HD11 LEU 1 31 4.117 2.114 0.144 1.00 0.00 H new ATOM 0 HD12 LEU 1 31 4.861 3.327 1.212 1.00 0.00 H new ATOM 0 HD13 LEU 1 31 4.653 3.675 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU 1 31 5.498 0.876 -1.487 1.00 0.00 H new ATOM 0 HD22 LEU 1 31 6.083 2.393 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU 1 31 7.246 1.190 -1.603 1.00 0.00 H new ATOM 160 N SER 1 32 10.186 4.679 -0.630 1.00 0.00 N ATOM 161 CA SER 1 32 11.111 5.790 -0.448 1.00 0.00 C ATOM 162 C SER 1 32 10.903 6.855 -1.518 1.00 0.00 C ATOM 163 O SER 1 32 10.798 6.547 -2.705 1.00 0.00 O ATOM 164 CB SER 1 32 12.555 5.290 -0.483 1.00 0.00 C ATOM 165 OG SER 1 32 12.656 3.982 0.052 1.00 0.00 O ATOM 0 H SER 1 32 9.957 4.474 -1.603 1.00 0.00 H new ATOM 0 HA SER 1 32 10.912 6.238 0.526 1.00 0.00 H new ATOM 0 HB2 SER 1 32 12.920 5.295 -1.510 1.00 0.00 H new ATOM 0 HB3 SER 1 32 13.192 5.968 0.085 1.00 0.00 H new ATOM 0 HG SER 1 32 13.589 3.685 0.017 1.00 0.00 H new ATOM 171 N GLY 1 33 10.846 8.111 -1.089 1.00 0.00 N ATOM 172 CA GLY 1 33 10.653 9.204 -2.021 1.00 0.00 C ATOM 173 C GLY 1 33 9.292 9.165 -2.686 1.00 0.00 C ATOM 174 O GLY 1 33 8.291 8.839 -2.049 1.00 0.00 O ATOM 0 H GLY 1 33 10.930 8.391 -0.112 1.00 0.00 H new ATOM 0 HA2 GLY 1 33 10.770 10.151 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY 1 33 11.429 9.167 -2.786 1.00 0.00 H new ATOM 178 N GLN 1 34 9.259 9.497 -3.974 1.00 0.00 N ATOM 179 CA GLN 1 34 8.015 9.505 -4.740 1.00 0.00 C ATOM 180 C GLN 1 34 7.239 8.204 -4.554 1.00 0.00 C ATOM 181 O GLN 1 34 6.015 8.179 -4.679 1.00 0.00 O ATOM 182 CB GLN 1 34 8.312 9.723 -6.225 1.00 0.00 C ATOM 183 CG GLN 1 34 7.269 10.570 -6.936 1.00 0.00 C ATOM 184 CD GLN 1 34 7.885 11.686 -7.757 1.00 0.00 C ATOM 185 OE1 GLN 1 34 7.822 12.857 -7.381 1.00 0.00 O ATOM 186 NE2 GLN 1 34 8.484 11.329 -8.887 1.00 0.00 N ATOM 0 H GLN 1 34 10.083 9.765 -4.511 1.00 0.00 H new ATOM 0 HA GLN 1 34 7.400 10.324 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN 1 34 9.286 10.201 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN 1 34 8.380 8.754 -6.720 1.00 0.00 H new ATOM 0 HG2 GLN 1 34 6.671 9.932 -7.587 1.00 0.00 H new ATOM 0 HG3 GLN 1 34 6.590 10.999 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN 1 34 8.513 10.347 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN 1 34 8.915 12.037 -9.481 1.00 0.00 H new ATOM 195 N LEU 1 35 7.956 7.127 -4.253 1.00 0.00 N ATOM 196 CA LEU 1 35 7.331 5.828 -4.050 1.00 0.00 C ATOM 197 C LEU 1 35 6.416 5.856 -2.835 1.00 0.00 C ATOM 198 O LEU 1 35 5.235 5.522 -2.925 1.00 0.00 O ATOM 199 CB LEU 1 35 8.394 4.749 -3.885 1.00 0.00 C ATOM 200 CG LEU 1 35 9.058 4.302 -5.187 1.00 0.00 C ATOM 201 CD1 LEU 1 35 8.262 3.193 -5.839 1.00 0.00 C ATOM 202 CD2 LEU 1 35 9.208 5.467 -6.151 1.00 0.00 C ATOM 0 H LEU 1 35 8.970 7.129 -4.144 1.00 0.00 H new ATOM 0 HA LEU 1 35 6.729 5.596 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU 1 35 9.165 5.118 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU 1 35 7.940 3.881 -3.408 1.00 0.00 H new ATOM 0 HG LEU 1 35 10.051 3.926 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU 1 35 8.752 2.889 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU 1 35 8.204 2.340 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU 1 35 7.256 3.549 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU 1 35 9.683 5.121 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU 1 35 8.225 5.876 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU 1 35 9.824 6.241 -5.693 1.00 0.00 H new ATOM 214 N GLU 1 36 6.968 6.272 -1.702 1.00 0.00 N ATOM 215 CA GLU 1 36 6.200 6.360 -0.468 1.00 0.00 C ATOM 216 C GLU 1 36 5.052 7.354 -0.637 1.00 0.00 C ATOM 217 O GLU 1 36 3.949 7.142 -0.132 1.00 0.00 O ATOM 218 CB GLU 1 36 7.122 6.758 0.696 1.00 0.00 C ATOM 219 CG GLU 1 36 6.662 7.972 1.488 1.00 0.00 C ATOM 220 CD GLU 1 36 5.438 7.688 2.338 1.00 0.00 C ATOM 221 OE1 GLU 1 36 4.814 6.624 2.145 1.00 0.00 O ATOM 222 OE2 GLU 1 36 5.105 8.530 3.198 1.00 0.00 O ATOM 0 H GLU 1 36 7.944 6.553 -1.613 1.00 0.00 H new ATOM 0 HA GLU 1 36 5.769 5.386 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU 1 36 7.212 5.911 1.376 1.00 0.00 H new ATOM 0 HB3 GLU 1 36 8.118 6.956 0.300 1.00 0.00 H new ATOM 0 HG2 GLU 1 36 7.475 8.311 2.131 1.00 0.00 H new ATOM 0 HG3 GLU 1 36 6.440 8.787 0.799 1.00 0.00 H new ATOM 229 N LYS 1 37 5.324 8.433 -1.363 1.00 0.00 N ATOM 230 CA LYS 1 37 4.320 9.460 -1.615 1.00 0.00 C ATOM 231 C LYS 1 37 3.188 8.903 -2.472 1.00 0.00 C ATOM 232 O LYS 1 37 2.010 9.079 -2.156 1.00 0.00 O ATOM 233 CB LYS 1 37 4.950 10.670 -2.311 1.00 0.00 C ATOM 234 CG LYS 1 37 6.347 11.007 -1.814 1.00 0.00 C ATOM 235 CD LYS 1 37 6.577 12.509 -1.770 1.00 0.00 C ATOM 236 CE LYS 1 37 7.239 13.008 -3.043 1.00 0.00 C ATOM 237 NZ LYS 1 37 8.696 12.702 -3.069 1.00 0.00 N ATOM 0 H LYS 1 37 6.233 8.619 -1.788 1.00 0.00 H new ATOM 0 HA LYS 1 37 3.913 9.778 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS 1 37 4.993 10.479 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS 1 37 4.305 11.537 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS 1 37 6.491 10.587 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS 1 37 7.088 10.544 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS 1 37 5.625 13.020 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS 1 37 7.202 12.758 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS 1 37 6.757 12.550 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS 1 37 7.093 14.085 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS 1 37 9.006 12.572 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS 1 37 9.224 13.489 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS 1 37 8.877 11.830 -2.531 1.00 0.00 H new ATOM 251 N ASN 1 38 3.554 8.224 -3.557 1.00 0.00 N ATOM 252 CA ASN 1 38 2.568 7.636 -4.458 1.00 0.00 C ATOM 253 C ASN 1 38 1.620 6.720 -3.692 1.00 0.00 C ATOM 254 O ASN 1 38 0.399 6.884 -3.747 1.00 0.00 O ATOM 255 CB ASN 1 38 3.266 6.854 -5.572 1.00 0.00 C ATOM 256 CG ASN 1 38 2.606 7.058 -6.921 1.00 0.00 C ATOM 257 OD1 ASN 1 38 2.264 6.097 -7.610 1.00 0.00 O ATOM 258 ND2 ASN 1 38 2.422 8.316 -7.306 1.00 0.00 N ATOM 0 H ASN 1 38 4.524 8.068 -3.832 1.00 0.00 H new ATOM 0 HA ASN 1 38 1.987 8.443 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN 1 38 4.310 7.163 -5.631 1.00 0.00 H new ATOM 0 HB3 ASN 1 38 3.261 5.792 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN 1 38 1.982 8.515 -8.204 1.00 0.00 H new ATOM 0 HD22 ASN 1 38 2.721 9.083 -6.703 1.00 0.00 H new ATOM 265 N VAL 1 39 2.189 5.760 -2.968 1.00 0.00 N ATOM 266 CA VAL 1 39 1.392 4.827 -2.183 1.00 0.00 C ATOM 267 C VAL 1 39 0.491 5.582 -1.213 1.00 0.00 C ATOM 268 O VAL 1 39 -0.637 5.167 -0.949 1.00 0.00 O ATOM 269 CB VAL 1 39 2.282 3.843 -1.400 1.00 0.00 C ATOM 270 CG1 VAL 1 39 1.431 2.847 -0.625 1.00 0.00 C ATOM 271 CG2 VAL 1 39 3.230 3.120 -2.345 1.00 0.00 C ATOM 0 H VAL 1 39 3.196 5.609 -2.910 1.00 0.00 H new ATOM 0 HA VAL 1 39 0.779 4.255 -2.879 1.00 0.00 H new ATOM 0 HB VAL 1 39 2.876 4.410 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL 1 39 2.079 2.162 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL 1 39 0.795 3.383 0.079 1.00 0.00 H new ATOM 0 HG13 VAL 1 39 0.809 2.282 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL 1 39 3.852 2.428 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL 1 39 2.653 2.565 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL 1 39 3.865 3.848 -2.851 1.00 0.00 H new ATOM 281 N ARG 1 40 0.989 6.705 -0.699 1.00 0.00 N ATOM 282 CA ARG 1 40 0.216 7.526 0.225 1.00 0.00 C ATOM 283 C ARG 1 40 -1.093 7.951 -0.430 1.00 0.00 C ATOM 284 O ARG 1 40 -2.168 7.822 0.157 1.00 0.00 O ATOM 285 CB ARG 1 40 1.018 8.758 0.649 1.00 0.00 C ATOM 286 CG ARG 1 40 0.583 9.336 1.987 1.00 0.00 C ATOM 287 CD ARG 1 40 1.657 9.160 3.049 1.00 0.00 C ATOM 288 NE ARG 1 40 1.381 8.023 3.924 1.00 0.00 N ATOM 289 CZ ARG 1 40 2.012 7.804 5.076 1.00 0.00 C ATOM 290 NH1 ARG 1 40 2.954 8.640 5.494 1.00 0.00 N ATOM 291 NH2 ARG 1 40 1.700 6.746 5.811 1.00 0.00 N ATOM 0 H ARG 1 40 1.921 7.064 -0.907 1.00 0.00 H new ATOM 0 HA ARG 1 40 -0.005 6.937 1.115 1.00 0.00 H new ATOM 0 HB2 ARG 1 40 2.074 8.493 0.703 1.00 0.00 H new ATOM 0 HB3 ARG 1 40 0.921 9.526 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG 1 40 0.357 10.396 1.870 1.00 0.00 H new ATOM 0 HG3 ARG 1 40 -0.335 8.848 2.313 1.00 0.00 H new ATOM 0 HD2 ARG 1 40 2.624 9.020 2.567 1.00 0.00 H new ATOM 0 HD3 ARG 1 40 1.728 10.069 3.647 1.00 0.00 H new ATOM 0 HE ARG 1 40 0.663 7.358 3.636 1.00 0.00 H new ATOM 0 HH11 ARG 1 40 3.198 9.455 4.932 1.00 0.00 H new ATOM 0 HH12 ARG 1 40 3.434 8.467 6.377 1.00 0.00 H new ATOM 0 HH21 ARG 1 40 0.977 6.100 5.494 1.00 0.00 H new ATOM 0 HH22 ARG 1 40 2.183 6.578 6.693 1.00 0.00 H new ATOM 305 N ALA 1 41 -0.998 8.435 -1.666 1.00 0.00 N ATOM 306 CA ALA 1 41 -2.181 8.848 -2.407 1.00 0.00 C ATOM 307 C ALA 1 41 -3.134 7.668 -2.539 1.00 0.00 C ATOM 308 O ALA 1 41 -4.349 7.807 -2.385 1.00 0.00 O ATOM 309 CB ALA 1 41 -1.794 9.382 -3.778 1.00 0.00 C ATOM 0 H ALA 1 41 -0.119 8.549 -2.171 1.00 0.00 H new ATOM 0 HA ALA 1 41 -2.681 9.650 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA 1 41 -2.692 9.686 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA 1 41 -1.133 10.241 -3.661 1.00 0.00 H new ATOM 0 HB3 ALA 1 41 -1.280 8.603 -4.340 1.00 0.00 H new ATOM 315 N GLN 1 42 -2.562 6.497 -2.802 1.00 0.00 N ATOM 316 CA GLN 1 42 -3.345 5.278 -2.930 1.00 0.00 C ATOM 317 C GLN 1 42 -3.949 4.910 -1.580 1.00 0.00 C ATOM 318 O GLN 1 42 -5.080 4.434 -1.503 1.00 0.00 O ATOM 319 CB GLN 1 42 -2.473 4.133 -3.448 1.00 0.00 C ATOM 320 CG GLN 1 42 -2.217 4.191 -4.945 1.00 0.00 C ATOM 321 CD GLN 1 42 -0.918 4.892 -5.289 1.00 0.00 C ATOM 322 OE1 GLN 1 42 -0.915 6.057 -5.689 1.00 0.00 O ATOM 323 NE2 GLN 1 42 0.195 4.185 -5.137 1.00 0.00 N ATOM 0 H GLN 1 42 -1.558 6.369 -2.930 1.00 0.00 H new ATOM 0 HA GLN 1 42 -4.148 5.449 -3.647 1.00 0.00 H new ATOM 0 HB2 GLN 1 42 -1.517 4.150 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN 1 42 -2.953 3.184 -3.207 1.00 0.00 H new ATOM 0 HG2 GLN 1 42 -2.195 3.177 -5.345 1.00 0.00 H new ATOM 0 HG3 GLN 1 42 -3.044 4.708 -5.431 1.00 0.00 H new ATOM 0 HE21 GLN 1 42 0.146 3.223 -4.803 1.00 0.00 H new ATOM 0 HE22 GLN 1 42 1.099 4.604 -5.354 1.00 0.00 H new ATOM 332 N LEU 1 43 -3.185 5.150 -0.515 1.00 0.00 N ATOM 333 CA LEU 1 43 -3.639 4.861 0.841 1.00 0.00 C ATOM 334 C LEU 1 43 -4.936 5.601 1.140 1.00 0.00 C ATOM 335 O LEU 1 43 -5.816 5.085 1.830 1.00 0.00 O ATOM 336 CB LEU 1 43 -2.569 5.262 1.859 1.00 0.00 C ATOM 337 CG LEU 1 43 -1.319 4.375 1.899 1.00 0.00 C ATOM 338 CD1 LEU 1 43 -0.764 4.330 3.309 1.00 0.00 C ATOM 339 CD2 LEU 1 43 -1.622 2.965 1.409 1.00 0.00 C ATOM 0 H LEU 1 43 -2.246 5.545 -0.568 1.00 0.00 H new ATOM 0 HA LEU 1 43 -3.819 3.789 0.918 1.00 0.00 H new ATOM 0 HB2 LEU 1 43 -2.259 6.285 1.647 1.00 0.00 H new ATOM 0 HB3 LEU 1 43 -3.021 5.265 2.851 1.00 0.00 H new ATOM 0 HG LEU 1 43 -0.575 4.808 1.230 1.00 0.00 H new ATOM 0 HD11 LEU 1 43 0.124 3.698 3.331 1.00 0.00 H new ATOM 0 HD12 LEU 1 43 -0.500 5.338 3.628 1.00 0.00 H new ATOM 0 HD13 LEU 1 43 -1.517 3.921 3.983 1.00 0.00 H new ATOM 0 HD21 LEU 1 43 -0.715 2.363 1.450 1.00 0.00 H new ATOM 0 HD22 LEU 1 43 -2.385 2.515 2.044 1.00 0.00 H new ATOM 0 HD23 LEU 1 43 -1.983 3.007 0.381 1.00 0.00 H new ATOM 351 N SER 1 44 -5.047 6.815 0.613 1.00 0.00 N ATOM 352 CA SER 1 44 -6.235 7.632 0.820 1.00 0.00 C ATOM 353 C SER 1 44 -7.370 7.196 -0.103 1.00 0.00 C ATOM 354 O SER 1 44 -8.544 7.310 0.248 1.00 0.00 O ATOM 355 CB SER 1 44 -5.911 9.108 0.585 1.00 0.00 C ATOM 356 OG SER 1 44 -5.469 9.730 1.779 1.00 0.00 O ATOM 0 H SER 1 44 -4.328 7.255 0.039 1.00 0.00 H new ATOM 0 HA SER 1 44 -6.560 7.496 1.851 1.00 0.00 H new ATOM 0 HB2 SER 1 44 -5.141 9.197 -0.181 1.00 0.00 H new ATOM 0 HB3 SER 1 44 -6.796 9.622 0.209 1.00 0.00 H new ATOM 0 HG SER 1 44 -5.267 10.672 1.601 1.00 0.00 H new ATOM 362 N THR 1 45 -7.017 6.704 -1.289 1.00 0.00 N ATOM 363 CA THR 1 45 -8.019 6.265 -2.257 1.00 0.00 C ATOM 364 C THR 1 45 -8.499 4.836 -1.978 1.00 0.00 C ATOM 365 O THR 1 45 -9.455 4.370 -2.596 1.00 0.00 O ATOM 366 CB THR 1 45 -7.468 6.380 -3.685 1.00 0.00 C ATOM 367 OG1 THR 1 45 -8.519 6.602 -4.608 1.00 0.00 O ATOM 368 CG2 THR 1 45 -6.703 5.159 -4.154 1.00 0.00 C ATOM 0 H THR 1 45 -6.051 6.600 -1.601 1.00 0.00 H new ATOM 0 HA THR 1 45 -8.883 6.922 -2.156 1.00 0.00 H new ATOM 0 HB THR 1 45 -6.775 7.221 -3.649 1.00 0.00 H new ATOM 0 HG1 THR 1 45 -8.150 6.674 -5.513 1.00 0.00 H new ATOM 0 HG21 THR 1 45 -6.348 5.321 -5.172 1.00 0.00 H new ATOM 0 HG22 THR 1 45 -5.852 4.988 -3.495 1.00 0.00 H new ATOM 0 HG23 THR 1 45 -7.359 4.289 -4.133 1.00 0.00 H new ATOM 376 N ILE 1 46 -7.840 4.144 -1.048 1.00 0.00 N ATOM 377 CA ILE 1 46 -8.224 2.774 -0.708 1.00 0.00 C ATOM 378 C ILE 1 46 -9.699 2.697 -0.320 1.00 0.00 C ATOM 379 O ILE 1 46 -10.317 3.707 0.015 1.00 0.00 O ATOM 380 CB ILE 1 46 -7.371 2.209 0.448 1.00 0.00 C ATOM 381 CG1 ILE 1 46 -5.882 2.391 0.142 1.00 0.00 C ATOM 382 CG2 ILE 1 46 -7.697 0.738 0.682 1.00 0.00 C ATOM 383 CD1 ILE 1 46 -4.967 1.635 1.079 1.00 0.00 C ATOM 0 H ILE 1 46 -7.045 4.506 -0.521 1.00 0.00 H new ATOM 0 HA ILE 1 46 -8.049 2.172 -1.600 1.00 0.00 H new ATOM 0 HB ILE 1 46 -7.607 2.759 1.359 1.00 0.00 H new ATOM 0 HG12 ILE 1 46 -5.689 2.065 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE 1 46 -5.638 3.452 0.190 1.00 0.00 H new ATOM 0 HG21 ILE 1 46 -7.087 0.356 1.500 1.00 0.00 H new ATOM 0 HG22 ILE 1 46 -8.752 0.635 0.937 1.00 0.00 H new ATOM 0 HG23 ILE 1 46 -7.486 0.170 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE 1 46 -3.929 1.814 0.798 1.00 0.00 H new ATOM 0 HD12 ILE 1 46 -5.130 1.977 2.101 1.00 0.00 H new ATOM 0 HD13 ILE 1 46 -5.181 0.568 1.015 1.00 0.00 H new ATOM 395 N GLU 1 47 -10.253 1.489 -0.364 1.00 0.00 N ATOM 396 CA GLU 1 47 -11.653 1.267 -0.015 1.00 0.00 C ATOM 397 C GLU 1 47 -11.893 1.419 1.491 1.00 0.00 C ATOM 398 O GLU 1 47 -13.015 1.244 1.964 1.00 0.00 O ATOM 399 CB GLU 1 47 -12.096 -0.123 -0.472 1.00 0.00 C ATOM 400 CG GLU 1 47 -11.731 -0.433 -1.915 1.00 0.00 C ATOM 401 CD GLU 1 47 -12.915 -0.312 -2.854 1.00 0.00 C ATOM 402 OE1 GLU 1 47 -13.907 -1.044 -2.657 1.00 0.00 O ATOM 403 OE2 GLU 1 47 -12.849 0.516 -3.788 1.00 0.00 O ATOM 0 H GLU 1 47 -9.751 0.645 -0.639 1.00 0.00 H new ATOM 0 HA GLU 1 47 -12.244 2.026 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU 1 47 -11.643 -0.872 0.178 1.00 0.00 H new ATOM 0 HB3 GLU 1 47 -13.176 -0.209 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU 1 47 -10.943 0.246 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU 1 47 -11.326 -1.443 -1.975 1.00 0.00 H new ATOM 410 N SER 1 48 -10.838 1.734 2.243 1.00 0.00 N ATOM 411 CA SER 1 48 -10.939 1.896 3.693 1.00 0.00 C ATOM 412 C SER 1 48 -11.850 3.062 4.092 1.00 0.00 C ATOM 413 O SER 1 48 -11.904 3.435 5.264 1.00 0.00 O ATOM 414 CB SER 1 48 -9.548 2.100 4.296 1.00 0.00 C ATOM 415 OG SER 1 48 -8.671 2.706 3.362 1.00 0.00 O ATOM 0 H SER 1 48 -9.900 1.882 1.870 1.00 0.00 H new ATOM 0 HA SER 1 48 -11.386 0.983 4.086 1.00 0.00 H new ATOM 0 HB2 SER 1 48 -9.622 2.723 5.187 1.00 0.00 H new ATOM 0 HB3 SER 1 48 -9.141 1.140 4.612 1.00 0.00 H new ATOM 0 HG SER 1 48 -7.789 2.827 3.772 1.00 0.00 H new ATOM 421 N ASP 1 49 -12.572 3.631 3.128 1.00 0.00 N ATOM 422 CA ASP 1 49 -13.482 4.742 3.397 1.00 0.00 C ATOM 423 C ASP 1 49 -14.756 4.262 4.097 1.00 0.00 C ATOM 424 O ASP 1 49 -15.838 4.800 3.860 1.00 0.00 O ATOM 425 CB ASP 1 49 -13.843 5.457 2.094 1.00 0.00 C ATOM 426 CG ASP 1 49 -12.842 6.536 1.730 1.00 0.00 C ATOM 427 OD1 ASP 1 49 -11.644 6.362 2.037 1.00 0.00 O ATOM 428 OD2 ASP 1 49 -13.256 7.555 1.138 1.00 0.00 O ATOM 0 H ASP 1 49 -12.544 3.339 2.151 1.00 0.00 H new ATOM 0 HA ASP 1 49 -12.971 5.438 4.062 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -13.897 4.728 1.286 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -14.834 5.901 2.189 1.00 0.00 H new ATOM 433 N GLU 1 50 -14.620 3.238 4.947 1.00 0.00 N ATOM 434 CA GLU 1 50 -15.746 2.661 5.681 1.00 0.00 C ATOM 435 C GLU 1 50 -16.419 1.564 4.863 1.00 0.00 C ATOM 436 O GLU 1 50 -17.546 1.721 4.394 1.00 0.00 O ATOM 437 CB GLU 1 50 -16.767 3.735 6.077 1.00 0.00 C ATOM 438 CG GLU 1 50 -17.291 3.572 7.493 1.00 0.00 C ATOM 439 CD GLU 1 50 -18.685 2.978 7.535 1.00 0.00 C ATOM 440 OE1 GLU 1 50 -19.454 3.200 6.576 1.00 0.00 O ATOM 441 OE2 GLU 1 50 -19.008 2.290 8.526 1.00 0.00 O ATOM 0 H GLU 1 50 -13.726 2.788 5.144 1.00 0.00 H new ATOM 0 HA GLU 1 50 -15.350 2.221 6.596 1.00 0.00 H new ATOM 0 HB2 GLU 1 50 -16.307 4.718 5.978 1.00 0.00 H new ATOM 0 HB3 GLU 1 50 -17.605 3.704 5.381 1.00 0.00 H new ATOM 0 HG2 GLU 1 50 -16.611 2.933 8.057 1.00 0.00 H new ATOM 0 HG3 GLU 1 50 -17.299 4.543 7.987 1.00 0.00 H new ATOM 448 N VAL 1 51 -15.713 0.448 4.702 1.00 0.00 N ATOM 449 CA VAL 1 51 -16.227 -0.687 3.947 1.00 0.00 C ATOM 450 C VAL 1 51 -15.989 -1.994 4.702 1.00 0.00 C ATOM 451 O VAL 1 51 -15.650 -1.983 5.885 1.00 0.00 O ATOM 452 CB VAL 1 51 -15.583 -0.769 2.547 1.00 0.00 C ATOM 453 CG1 VAL 1 51 -15.666 0.577 1.845 1.00 0.00 C ATOM 454 CG2 VAL 1 51 -14.138 -1.237 2.638 1.00 0.00 C ATOM 0 H VAL 1 51 -14.779 0.307 5.087 1.00 0.00 H new ATOM 0 HA VAL 1 51 -17.300 -0.537 3.825 1.00 0.00 H new ATOM 0 HB VAL 1 51 -16.138 -1.501 1.960 1.00 0.00 H new ATOM 0 HG11 VAL 1 51 -15.207 0.502 0.859 1.00 0.00 H new ATOM 0 HG12 VAL 1 51 -16.711 0.868 1.738 1.00 0.00 H new ATOM 0 HG13 VAL 1 51 -15.139 1.328 2.434 1.00 0.00 H new ATOM 0 HG21 VAL 1 51 -13.708 -1.286 1.638 1.00 0.00 H new ATOM 0 HG22 VAL 1 51 -13.566 -0.535 3.245 1.00 0.00 H new ATOM 0 HG23 VAL 1 51 -14.104 -2.225 3.097 1.00 0.00 H new ATOM 464 N THR 1 52 -16.166 -3.118 4.013 1.00 0.00 N ATOM 465 CA THR 1 52 -15.966 -4.429 4.622 1.00 0.00 C ATOM 466 C THR 1 52 -14.668 -5.065 4.123 1.00 0.00 C ATOM 467 O THR 1 52 -14.618 -5.591 3.011 1.00 0.00 O ATOM 468 CB THR 1 52 -17.149 -5.346 4.308 1.00 0.00 C ATOM 469 OG1 THR 1 52 -16.974 -6.615 4.911 1.00 0.00 O ATOM 470 CG2 THR 1 52 -17.358 -5.566 2.826 1.00 0.00 C ATOM 0 H THR 1 52 -16.447 -3.147 3.033 1.00 0.00 H new ATOM 0 HA THR 1 52 -15.896 -4.296 5.702 1.00 0.00 H new ATOM 0 HB THR 1 52 -18.024 -4.836 4.710 1.00 0.00 H new ATOM 0 HG1 THR 1 52 -17.742 -7.186 4.700 1.00 0.00 H new ATOM 0 HG21 THR 1 52 -18.212 -6.225 2.673 1.00 0.00 H new ATOM 0 HG22 THR 1 52 -17.546 -4.609 2.339 1.00 0.00 H new ATOM 0 HG23 THR 1 52 -16.466 -6.022 2.397 1.00 0.00 H new ATOM 478 N PRO 1 53 -13.595 -5.019 4.934 1.00 0.00 N ATOM 479 CA PRO 1 53 -12.297 -5.589 4.555 1.00 0.00 C ATOM 480 C PRO 1 53 -12.362 -7.097 4.332 1.00 0.00 C ATOM 481 O PRO 1 53 -12.650 -7.861 5.253 1.00 0.00 O ATOM 482 CB PRO 1 53 -11.390 -5.270 5.751 1.00 0.00 C ATOM 483 CG PRO 1 53 -12.087 -4.180 6.491 1.00 0.00 C ATOM 484 CD PRO 1 53 -13.554 -4.407 6.271 1.00 0.00 C ATOM 0 HA PRO 1 53 -11.941 -5.174 3.612 1.00 0.00 H new ATOM 0 HB2 PRO 1 53 -11.249 -6.147 6.383 1.00 0.00 H new ATOM 0 HB3 PRO 1 53 -10.401 -4.952 5.421 1.00 0.00 H new ATOM 0 HG2 PRO 1 53 -11.842 -4.210 7.553 1.00 0.00 H new ATOM 0 HG3 PRO 1 53 -11.783 -3.201 6.121 1.00 0.00 H new ATOM 0 HD2 PRO 1 53 -13.979 -5.064 7.029 1.00 0.00 H new ATOM 0 HD3 PRO 1 53 -14.117 -3.474 6.306 1.00 0.00 H new ATOM 492 N ASP 1 54 -12.084 -7.515 3.103 1.00 0.00 N ATOM 493 CA ASP 1 54 -12.099 -8.928 2.748 1.00 0.00 C ATOM 494 C ASP 1 54 -11.053 -9.224 1.680 1.00 0.00 C ATOM 495 O ASP 1 54 -10.313 -8.335 1.260 1.00 0.00 O ATOM 496 CB ASP 1 54 -13.486 -9.341 2.255 1.00 0.00 C ATOM 497 CG ASP 1 54 -13.883 -10.724 2.735 1.00 0.00 C ATOM 498 OD1 ASP 1 54 -13.840 -10.961 3.960 1.00 0.00 O ATOM 499 OD2 ASP 1 54 -14.235 -11.569 1.885 1.00 0.00 O ATOM 0 H ASP 1 54 -11.844 -6.891 2.332 1.00 0.00 H new ATOM 0 HA ASP 1 54 -11.858 -9.506 3.640 1.00 0.00 H new ATOM 0 HB2 ASP 1 54 -14.222 -8.615 2.600 1.00 0.00 H new ATOM 0 HB3 ASP 1 54 -13.503 -9.319 1.165 1.00 0.00 H new ATOM 504 N ARG 1 55 -10.996 -10.479 1.243 1.00 0.00 N ATOM 505 CA ARG 1 55 -10.038 -10.892 0.220 1.00 0.00 C ATOM 506 C ARG 1 55 -10.036 -9.916 -0.954 1.00 0.00 C ATOM 507 O ARG 1 55 -9.020 -9.742 -1.628 1.00 0.00 O ATOM 508 CB ARG 1 55 -10.365 -12.302 -0.275 1.00 0.00 C ATOM 509 CG ARG 1 55 -9.660 -13.399 0.507 1.00 0.00 C ATOM 510 CD ARG 1 55 -8.393 -13.859 -0.197 1.00 0.00 C ATOM 511 NE ARG 1 55 -8.596 -15.107 -0.929 1.00 0.00 N ATOM 512 CZ ARG 1 55 -8.614 -16.308 -0.355 1.00 0.00 C ATOM 513 NH1 ARG 1 55 -8.444 -16.428 0.956 1.00 0.00 N ATOM 514 NH2 ARG 1 55 -8.805 -17.393 -1.094 1.00 0.00 N ATOM 0 H ARG 1 55 -11.601 -11.228 1.581 1.00 0.00 H new ATOM 0 HA ARG 1 55 -9.045 -10.892 0.669 1.00 0.00 H new ATOM 0 HB2 ARG 1 55 -11.442 -12.459 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG 1 55 -10.090 -12.382 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG 1 55 -9.412 -13.035 1.504 1.00 0.00 H new ATOM 0 HG3 ARG 1 55 -10.334 -14.246 0.636 1.00 0.00 H new ATOM 0 HD2 ARG 1 55 -8.060 -13.084 -0.887 1.00 0.00 H new ATOM 0 HD3 ARG 1 55 -7.599 -13.994 0.537 1.00 0.00 H new ATOM 0 HE ARG 1 55 -8.732 -15.055 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG 1 55 -8.299 -15.597 1.530 1.00 0.00 H new ATOM 0 HH12 ARG 1 55 -8.459 -17.351 1.390 1.00 0.00 H new ATOM 0 HH21 ARG 1 55 -8.938 -17.307 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG 1 55 -8.819 -18.313 -0.655 1.00 0.00 H new ATOM 528 N ARG 1 56 -11.178 -9.279 -1.189 1.00 0.00 N ATOM 529 CA ARG 1 56 -11.306 -8.317 -2.277 1.00 0.00 C ATOM 530 C ARG 1 56 -10.660 -6.988 -1.905 1.00 0.00 C ATOM 531 O ARG 1 56 -9.915 -6.407 -2.693 1.00 0.00 O ATOM 532 CB ARG 1 56 -12.778 -8.101 -2.636 1.00 0.00 C ATOM 533 CG ARG 1 56 -13.637 -7.650 -1.464 1.00 0.00 C ATOM 534 CD ARG 1 56 -13.789 -6.137 -1.434 1.00 0.00 C ATOM 535 NE ARG 1 56 -15.165 -5.731 -1.159 1.00 0.00 N ATOM 536 CZ ARG 1 56 -16.186 -5.970 -1.978 1.00 0.00 C ATOM 537 NH1 ARG 1 56 -15.991 -6.612 -3.124 1.00 0.00 N ATOM 538 NH2 ARG 1 56 -17.407 -5.567 -1.651 1.00 0.00 N ATOM 0 H ARG 1 56 -12.028 -9.412 -0.641 1.00 0.00 H new ATOM 0 HA ARG 1 56 -10.789 -8.723 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG 1 56 -12.843 -7.357 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG 1 56 -13.185 -9.030 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG 1 56 -14.621 -8.114 -1.533 1.00 0.00 H new ATOM 0 HG3 ARG 1 56 -13.188 -7.990 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG 1 56 -13.129 -5.721 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG 1 56 -13.473 -5.722 -2.391 1.00 0.00 H new ATOM 0 HE ARG 1 56 -15.354 -5.235 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG 1 56 -15.055 -6.925 -3.380 1.00 0.00 H new ATOM 0 HH12 ARG 1 56 -16.778 -6.792 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG 1 56 -17.563 -5.074 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG 1 56 -18.190 -5.750 -2.279 1.00 0.00 H new ATOM 552 N PHE 1 57 -10.937 -6.520 -0.692 1.00 0.00 N ATOM 553 CA PHE 1 57 -10.366 -5.268 -0.211 1.00 0.00 C ATOM 554 C PHE 1 57 -8.850 -5.367 -0.227 1.00 0.00 C ATOM 555 O PHE 1 57 -8.155 -4.472 -0.707 1.00 0.00 O ATOM 556 CB PHE 1 57 -10.857 -4.977 1.208 1.00 0.00 C ATOM 557 CG PHE 1 57 -10.447 -3.631 1.738 1.00 0.00 C ATOM 558 CD1 PHE 1 57 -9.111 -3.329 1.955 1.00 0.00 C ATOM 559 CD2 PHE 1 57 -11.402 -2.669 2.024 1.00 0.00 C ATOM 560 CE1 PHE 1 57 -8.736 -2.094 2.446 1.00 0.00 C ATOM 561 CE2 PHE 1 57 -11.033 -1.431 2.517 1.00 0.00 C ATOM 562 CZ PHE 1 57 -9.698 -1.144 2.728 1.00 0.00 C ATOM 0 H PHE 1 57 -11.552 -6.988 -0.026 1.00 0.00 H new ATOM 0 HA PHE 1 57 -10.682 -4.454 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE 1 57 -11.945 -5.046 1.225 1.00 0.00 H new ATOM 0 HB3 PHE 1 57 -10.478 -5.749 1.877 1.00 0.00 H new ATOM 0 HD1 PHE 1 57 -8.355 -4.069 1.737 1.00 0.00 H new ATOM 0 HD2 PHE 1 57 -12.447 -2.889 1.860 1.00 0.00 H new ATOM 0 HE1 PHE 1 57 -7.692 -1.871 2.609 1.00 0.00 H new ATOM 0 HE2 PHE 1 57 -11.787 -0.690 2.737 1.00 0.00 H new ATOM 0 HZ PHE 1 57 -9.407 -0.178 3.113 1.00 0.00 H new ATOM 572 N ARG 1 58 -8.353 -6.479 0.299 1.00 0.00 N ATOM 573 CA ARG 1 58 -6.926 -6.737 0.353 1.00 0.00 C ATOM 574 C ARG 1 58 -6.309 -6.686 -1.042 1.00 0.00 C ATOM 575 O ARG 1 58 -5.206 -6.172 -1.226 1.00 0.00 O ATOM 576 CB ARG 1 58 -6.686 -8.105 0.987 1.00 0.00 C ATOM 577 CG ARG 1 58 -5.649 -8.087 2.094 1.00 0.00 C ATOM 578 CD ARG 1 58 -5.020 -9.455 2.292 1.00 0.00 C ATOM 579 NE ARG 1 58 -4.249 -9.879 1.127 1.00 0.00 N ATOM 580 CZ ARG 1 58 -3.724 -11.094 0.987 1.00 0.00 C ATOM 581 NH1 ARG 1 58 -3.884 -12.007 1.937 1.00 0.00 N ATOM 582 NH2 ARG 1 58 -3.036 -11.398 -0.106 1.00 0.00 N ATOM 0 H ARG 1 58 -8.927 -7.222 0.697 1.00 0.00 H new ATOM 0 HA ARG 1 58 -6.450 -5.965 0.957 1.00 0.00 H new ATOM 0 HB2 ARG 1 58 -7.627 -8.481 1.388 1.00 0.00 H new ATOM 0 HB3 ARG 1 58 -6.368 -8.804 0.214 1.00 0.00 H new ATOM 0 HG2 ARG 1 58 -4.873 -7.360 1.855 1.00 0.00 H new ATOM 0 HG3 ARG 1 58 -6.114 -7.762 3.024 1.00 0.00 H new ATOM 0 HD2 ARG 1 58 -4.370 -9.432 3.167 1.00 0.00 H new ATOM 0 HD3 ARG 1 58 -5.802 -10.187 2.495 1.00 0.00 H new ATOM 0 HE ARG 1 58 -4.104 -9.204 0.376 1.00 0.00 H new ATOM 0 HH11 ARG 1 58 -4.412 -11.779 2.780 1.00 0.00 H new ATOM 0 HH12 ARG 1 58 -3.479 -12.937 1.824 1.00 0.00 H new ATOM 0 HH21 ARG 1 58 -2.909 -10.700 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG 1 58 -2.634 -12.329 -0.213 1.00 0.00 H new ATOM 596 N ALA 1 59 -7.032 -7.220 -2.023 1.00 0.00 N ATOM 597 CA ALA 1 59 -6.558 -7.233 -3.401 1.00 0.00 C ATOM 598 C ALA 1 59 -6.594 -5.834 -4.003 1.00 0.00 C ATOM 599 O ALA 1 59 -5.666 -5.423 -4.701 1.00 0.00 O ATOM 600 CB ALA 1 59 -7.391 -8.193 -4.237 1.00 0.00 C ATOM 0 H ALA 1 59 -7.948 -7.649 -1.888 1.00 0.00 H new ATOM 0 HA ALA 1 59 -5.523 -7.575 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA 1 59 -7.026 -8.192 -5.264 1.00 0.00 H new ATOM 0 HB2 ALA 1 59 -7.311 -9.199 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA 1 59 -8.434 -7.877 -4.223 1.00 0.00 H new ATOM 606 N ARG 1 60 -7.668 -5.101 -3.723 1.00 0.00 N ATOM 607 CA ARG 1 60 -7.820 -3.742 -4.230 1.00 0.00 C ATOM 608 C ARG 1 60 -6.629 -2.888 -3.820 1.00 0.00 C ATOM 609 O ARG 1 60 -6.042 -2.185 -4.642 1.00 0.00 O ATOM 610 CB ARG 1 60 -9.119 -3.122 -3.709 1.00 0.00 C ATOM 611 CG ARG 1 60 -10.235 -3.097 -4.739 1.00 0.00 C ATOM 612 CD ARG 1 60 -11.003 -4.408 -4.761 1.00 0.00 C ATOM 613 NE ARG 1 60 -11.647 -4.645 -6.051 1.00 0.00 N ATOM 614 CZ ARG 1 60 -12.074 -5.838 -6.459 1.00 0.00 C ATOM 615 NH1 ARG 1 60 -11.927 -6.904 -5.682 1.00 0.00 N ATOM 616 NH2 ARG 1 60 -12.650 -5.965 -7.646 1.00 0.00 N ATOM 0 H ARG 1 60 -8.445 -5.426 -3.148 1.00 0.00 H new ATOM 0 HA ARG 1 60 -7.863 -3.781 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -9.454 -3.681 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -8.918 -2.103 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -10.918 -2.278 -4.516 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -9.816 -2.903 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -10.323 -5.230 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -11.758 -4.399 -3.975 1.00 0.00 H new ATOM 0 HE ARG 1 60 -11.777 -3.849 -6.676 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -11.485 -6.811 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -12.256 -7.816 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -12.766 -5.149 -8.247 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -12.977 -6.879 -7.959 1.00 0.00 H new ATOM 630 N VAL 1 61 -6.269 -2.968 -2.545 1.00 0.00 N ATOM 631 CA VAL 1 61 -5.137 -2.215 -2.028 1.00 0.00 C ATOM 632 C VAL 1 61 -3.849 -2.681 -2.691 1.00 0.00 C ATOM 633 O VAL 1 61 -3.051 -1.871 -3.162 1.00 0.00 O ATOM 634 CB VAL 1 61 -4.998 -2.367 -0.502 1.00 0.00 C ATOM 635 CG1 VAL 1 61 -4.022 -1.340 0.051 1.00 0.00 C ATOM 636 CG2 VAL 1 61 -6.354 -2.249 0.176 1.00 0.00 C ATOM 0 H VAL 1 61 -6.745 -3.546 -1.852 1.00 0.00 H new ATOM 0 HA VAL 1 61 -5.317 -1.164 -2.256 1.00 0.00 H new ATOM 0 HB VAL 1 61 -4.601 -3.360 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL 1 61 -3.937 -1.463 1.131 1.00 0.00 H new ATOM 0 HG12 VAL 1 61 -3.044 -1.483 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL 1 61 -4.384 -0.337 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL 1 61 -6.233 -2.359 1.254 1.00 0.00 H new ATOM 0 HG22 VAL 1 61 -6.786 -1.273 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL 1 61 -7.016 -3.030 -0.197 1.00 0.00 H new ATOM 646 N ASP 1 62 -3.659 -3.998 -2.733 1.00 0.00 N ATOM 647 CA ASP 1 62 -2.474 -4.581 -3.348 1.00 0.00 C ATOM 648 C ASP 1 62 -2.292 -4.048 -4.763 1.00 0.00 C ATOM 649 O ASP 1 62 -1.203 -3.620 -5.146 1.00 0.00 O ATOM 650 CB ASP 1 62 -2.587 -6.107 -3.375 1.00 0.00 C ATOM 651 CG ASP 1 62 -1.360 -6.790 -2.805 1.00 0.00 C ATOM 652 OD1 ASP 1 62 -0.253 -6.559 -3.333 1.00 0.00 O ATOM 653 OD2 ASP 1 62 -1.508 -7.557 -1.830 1.00 0.00 O ATOM 0 H ASP 1 62 -4.312 -4.680 -2.348 1.00 0.00 H new ATOM 0 HA ASP 1 62 -1.604 -4.301 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP 1 62 -3.466 -6.413 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP 1 62 -2.739 -6.439 -4.402 1.00 0.00 H new ATOM 658 N ASP 1 63 -3.375 -4.071 -5.529 1.00 0.00 N ATOM 659 CA ASP 1 63 -3.355 -3.584 -6.899 1.00 0.00 C ATOM 660 C ASP 1 63 -2.992 -2.107 -6.931 1.00 0.00 C ATOM 661 O ASP 1 63 -2.157 -1.676 -7.727 1.00 0.00 O ATOM 662 CB ASP 1 63 -4.722 -3.799 -7.549 1.00 0.00 C ATOM 663 CG ASP 1 63 -4.670 -3.693 -9.061 1.00 0.00 C ATOM 664 OD1 ASP 1 63 -4.351 -2.598 -9.569 1.00 0.00 O ATOM 665 OD2 ASP 1 63 -4.949 -4.706 -9.736 1.00 0.00 O ATOM 0 H ASP 1 63 -4.281 -4.424 -5.221 1.00 0.00 H new ATOM 0 HA ASP 1 63 -2.602 -4.141 -7.457 1.00 0.00 H new ATOM 0 HB2 ASP 1 63 -5.103 -4.781 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP 1 63 -5.425 -3.062 -7.160 1.00 0.00 H new ATOM 670 N ALA 1 64 -3.625 -1.335 -6.054 1.00 0.00 N ATOM 671 CA ALA 1 64 -3.371 0.099 -5.971 1.00 0.00 C ATOM 672 C ALA 1 64 -1.878 0.381 -5.851 1.00 0.00 C ATOM 673 O ALA 1 64 -1.293 1.030 -6.717 1.00 0.00 O ATOM 674 CB ALA 1 64 -4.125 0.704 -4.797 1.00 0.00 C ATOM 0 H ALA 1 64 -4.319 -1.679 -5.390 1.00 0.00 H new ATOM 0 HA ALA 1 64 -3.730 0.562 -6.890 1.00 0.00 H new ATOM 0 HB1 ALA 1 64 -3.925 1.774 -4.749 1.00 0.00 H new ATOM 0 HB2 ALA 1 64 -5.195 0.540 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA 1 64 -3.797 0.232 -3.871 1.00 0.00 H new ATOM 680 N ILE 1 65 -1.256 -0.119 -4.782 1.00 0.00 N ATOM 681 CA ILE 1 65 0.174 0.078 -4.578 1.00 0.00 C ATOM 682 C ILE 1 65 0.938 -0.245 -5.850 1.00 0.00 C ATOM 683 O ILE 1 65 1.631 0.601 -6.399 1.00 0.00 O ATOM 684 CB ILE 1 65 0.712 -0.807 -3.437 1.00 0.00 C ATOM 685 CG1 ILE 1 65 0.061 -0.413 -2.112 1.00 0.00 C ATOM 686 CG2 ILE 1 65 2.231 -0.697 -3.342 1.00 0.00 C ATOM 687 CD1 ILE 1 65 -0.905 -1.447 -1.578 1.00 0.00 C ATOM 0 H ILE 1 65 -1.719 -0.659 -4.051 1.00 0.00 H new ATOM 0 HA ILE 1 65 0.320 1.124 -4.309 1.00 0.00 H new ATOM 0 HB ILE 1 65 0.459 -1.845 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE 1 65 0.842 -0.241 -1.371 1.00 0.00 H new ATOM 0 HG13 ILE 1 65 -0.467 0.531 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE 1 65 2.592 -1.329 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE 1 65 2.679 -1.022 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE 1 65 2.509 0.339 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE 1 65 -1.327 -1.098 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE 1 65 -1.707 -1.603 -2.300 1.00 0.00 H new ATOM 0 HD13 ILE 1 65 -0.378 -2.387 -1.413 1.00 0.00 H new ATOM 699 N ARG 1 66 0.791 -1.478 -6.315 1.00 0.00 N ATOM 700 CA ARG 1 66 1.455 -1.924 -7.529 1.00 0.00 C ATOM 701 C ARG 1 66 1.150 -0.978 -8.686 1.00 0.00 C ATOM 702 O ARG 1 66 1.973 -0.792 -9.579 1.00 0.00 O ATOM 703 CB ARG 1 66 1.000 -3.341 -7.878 1.00 0.00 C ATOM 704 CG ARG 1 66 1.809 -3.985 -8.991 1.00 0.00 C ATOM 705 CD ARG 1 66 1.490 -5.466 -9.125 1.00 0.00 C ATOM 706 NE ARG 1 66 1.703 -5.950 -10.487 1.00 0.00 N ATOM 707 CZ ARG 1 66 0.843 -5.757 -11.485 1.00 0.00 C ATOM 708 NH1 ARG 1 66 -0.286 -5.091 -11.279 1.00 0.00 N ATOM 709 NH2 ARG 1 66 1.114 -6.232 -12.694 1.00 0.00 N ATOM 0 H ARG 1 66 0.214 -2.190 -5.866 1.00 0.00 H new ATOM 0 HA ARG 1 66 2.531 -1.924 -7.358 1.00 0.00 H new ATOM 0 HB2 ARG 1 66 1.065 -3.964 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG 1 66 -0.049 -3.314 -8.172 1.00 0.00 H new ATOM 0 HG2 ARG 1 66 1.600 -3.480 -9.934 1.00 0.00 H new ATOM 0 HG3 ARG 1 66 2.873 -3.857 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG 1 66 2.114 -6.035 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG 1 66 0.454 -5.641 -8.836 1.00 0.00 H new ATOM 0 HE ARG 1 66 2.560 -6.466 -10.685 1.00 0.00 H new ATOM 0 HH11 ARG 1 66 -0.499 -4.723 -10.352 1.00 0.00 H new ATOM 0 HH12 ARG 1 66 -0.941 -4.947 -12.048 1.00 0.00 H new ATOM 0 HH21 ARG 1 66 1.980 -6.744 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG 1 66 0.456 -6.085 -13.459 1.00 0.00 H new ATOM 723 N GLU 1 67 -0.034 -0.371 -8.654 1.00 0.00 N ATOM 724 CA GLU 1 67 -0.439 0.565 -9.688 1.00 0.00 C ATOM 725 C GLU 1 67 0.469 1.785 -9.650 1.00 0.00 C ATOM 726 O GLU 1 67 1.178 2.077 -10.614 1.00 0.00 O ATOM 727 CB GLU 1 67 -1.923 0.937 -9.490 1.00 0.00 C ATOM 728 CG GLU 1 67 -2.193 2.397 -9.153 1.00 0.00 C ATOM 729 CD GLU 1 67 -3.588 2.838 -9.548 1.00 0.00 C ATOM 730 OE1 GLU 1 67 -3.898 2.815 -10.758 1.00 0.00 O ATOM 731 OE2 GLU 1 67 -4.372 3.207 -8.648 1.00 0.00 O ATOM 0 H GLU 1 67 -0.728 -0.514 -7.920 1.00 0.00 H new ATOM 0 HA GLU 1 67 -0.341 0.111 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU 1 67 -2.467 0.686 -10.400 1.00 0.00 H new ATOM 0 HB3 GLU 1 67 -2.332 0.316 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU 1 67 -2.057 2.550 -8.082 1.00 0.00 H new ATOM 0 HG3 GLU 1 67 -1.460 3.025 -9.660 1.00 0.00 H new ATOM 738 N GLY 1 68 0.462 2.477 -8.520 1.00 0.00 N ATOM 739 CA GLY 1 68 1.311 3.637 -8.367 1.00 0.00 C ATOM 740 C GLY 1 68 2.770 3.242 -8.402 1.00 0.00 C ATOM 741 O GLY 1 68 3.589 3.898 -9.042 1.00 0.00 O ATOM 0 H GLY 1 68 -0.116 2.255 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY 1 68 1.104 4.352 -9.163 1.00 0.00 H new ATOM 0 HA3 GLY 1 68 1.087 4.136 -7.424 1.00 0.00 H new ATOM 745 N LEU 1 69 3.084 2.145 -7.721 1.00 0.00 N ATOM 746 CA LEU 1 69 4.442 1.626 -7.672 1.00 0.00 C ATOM 747 C LEU 1 69 4.922 1.280 -9.079 1.00 0.00 C ATOM 748 O LEU 1 69 6.099 1.430 -9.403 1.00 0.00 O ATOM 749 CB LEU 1 69 4.505 0.399 -6.735 1.00 0.00 C ATOM 750 CG LEU 1 69 4.690 0.730 -5.248 1.00 0.00 C ATOM 751 CD1 LEU 1 69 5.093 -0.512 -4.471 1.00 0.00 C ATOM 752 CD2 LEU 1 69 5.732 1.826 -5.072 1.00 0.00 C ATOM 0 H LEU 1 69 2.408 1.595 -7.191 1.00 0.00 H new ATOM 0 HA LEU 1 69 5.108 2.390 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU 1 69 3.587 -0.177 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU 1 69 5.327 -0.242 -7.054 1.00 0.00 H new ATOM 0 HG LEU 1 69 3.739 1.089 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU 1 69 5.220 -0.258 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU 1 69 4.317 -1.271 -4.570 1.00 0.00 H new ATOM 0 HD13 LEU 1 69 6.032 -0.900 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU 1 69 5.851 2.048 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU 1 69 6.685 1.491 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU 1 69 5.407 2.724 -5.597 1.00 0.00 H new ATOM 764 N LYS 1 70 3.992 0.847 -9.921 1.00 0.00 N ATOM 765 CA LYS 1 70 4.306 0.506 -11.306 1.00 0.00 C ATOM 766 C LYS 1 70 4.575 1.767 -12.123 1.00 0.00 C ATOM 767 O LYS 1 70 5.218 1.714 -13.172 1.00 0.00 O ATOM 768 CB LYS 1 70 3.153 -0.289 -11.928 1.00 0.00 C ATOM 769 CG LYS 1 70 3.306 -0.533 -13.420 1.00 0.00 C ATOM 770 CD LYS 1 70 2.550 -1.777 -13.859 1.00 0.00 C ATOM 771 CE LYS 1 70 3.159 -3.037 -13.266 1.00 0.00 C ATOM 772 NZ LYS 1 70 2.796 -4.251 -14.048 1.00 0.00 N ATOM 0 H LYS 1 70 3.011 0.723 -9.670 1.00 0.00 H new ATOM 0 HA LYS 1 70 5.206 -0.109 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS 1 70 3.071 -1.250 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS 1 70 2.220 0.245 -11.751 1.00 0.00 H new ATOM 0 HG2 LYS 1 70 2.938 0.332 -13.971 1.00 0.00 H new ATOM 0 HG3 LYS 1 70 4.362 -0.642 -13.666 1.00 0.00 H new ATOM 0 HD2 LYS 1 70 1.507 -1.697 -13.553 1.00 0.00 H new ATOM 0 HD3 LYS 1 70 2.559 -1.845 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS 1 70 4.244 -2.936 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS 1 70 2.821 -3.154 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS 1 70 3.115 -5.100 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS 1 70 1.764 -4.289 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS 1 70 3.255 -4.213 -14.980 1.00 0.00 H new ATOM 786 N ALA 1 71 4.068 2.898 -11.642 1.00 0.00 N ATOM 787 CA ALA 1 71 4.242 4.170 -12.335 1.00 0.00 C ATOM 788 C ALA 1 71 5.440 4.968 -11.812 1.00 0.00 C ATOM 789 O ALA 1 71 5.757 6.031 -12.347 1.00 0.00 O ATOM 790 CB ALA 1 71 2.971 4.997 -12.224 1.00 0.00 C ATOM 0 H ALA 1 71 3.534 2.960 -10.775 1.00 0.00 H new ATOM 0 HA ALA 1 71 4.446 3.943 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA 1 71 3.108 5.945 -12.743 1.00 0.00 H new ATOM 0 HB2 ALA 1 71 2.142 4.452 -12.675 1.00 0.00 H new ATOM 0 HB3 ALA 1 71 2.751 5.187 -11.173 1.00 0.00 H new ATOM 796 N LEU 1 72 6.099 4.473 -10.765 1.00 0.00 N ATOM 797 CA LEU 1 72 7.249 5.179 -10.194 1.00 0.00 C ATOM 798 C LEU 1 72 8.545 4.390 -10.358 1.00 0.00 C ATOM 799 O LEU 1 72 9.571 4.748 -9.778 1.00 0.00 O ATOM 800 CB LEU 1 72 7.013 5.476 -8.712 1.00 0.00 C ATOM 801 CG LEU 1 72 5.569 5.818 -8.348 1.00 0.00 C ATOM 802 CD1 LEU 1 72 5.153 5.097 -7.078 1.00 0.00 C ATOM 803 CD2 LEU 1 72 5.398 7.322 -8.193 1.00 0.00 C ATOM 0 H LEU 1 72 5.862 3.597 -10.299 1.00 0.00 H new ATOM 0 HA LEU 1 72 7.354 6.115 -10.743 1.00 0.00 H new ATOM 0 HB2 LEU 1 72 7.324 4.610 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU 1 72 7.654 6.307 -8.416 1.00 0.00 H new ATOM 0 HG LEU 1 72 4.922 5.482 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU 1 72 4.122 5.353 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU 1 72 5.234 4.020 -7.228 1.00 0.00 H new ATOM 0 HD13 LEU 1 72 5.805 5.399 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU 1 72 4.363 7.546 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU 1 72 6.056 7.684 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU 1 72 5.652 7.816 -9.131 1.00 0.00 H new ATOM 815 N GLY 1 73 8.503 3.322 -11.145 1.00 0.00 N ATOM 816 CA GLY 1 73 9.695 2.519 -11.356 1.00 0.00 C ATOM 817 C GLY 1 73 9.605 1.146 -10.726 1.00 0.00 C ATOM 818 O GLY 1 73 10.444 0.283 -10.983 1.00 0.00 O ATOM 0 H GLY 1 73 7.671 2.998 -11.639 1.00 0.00 H new ATOM 0 HA2 GLY 1 73 9.868 2.410 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY 1 73 10.557 3.045 -10.946 1.00 0.00 H new ATOM 822 N TYR 1 74 8.590 0.939 -9.898 1.00 0.00 N ATOM 823 CA TYR 1 74 8.401 -0.338 -9.232 1.00 0.00 C ATOM 824 C TYR 1 74 7.390 -1.188 -10.003 1.00 0.00 C ATOM 825 O TYR 1 74 6.185 -0.984 -9.897 1.00 0.00 O ATOM 826 CB TYR 1 74 7.926 -0.090 -7.803 1.00 0.00 C ATOM 827 CG TYR 1 74 9.026 0.330 -6.849 1.00 0.00 C ATOM 828 CD1 TYR 1 74 10.112 1.080 -7.287 1.00 0.00 C ATOM 829 CD2 TYR 1 74 8.969 -0.016 -5.506 1.00 0.00 C ATOM 830 CE1 TYR 1 74 11.108 1.471 -6.414 1.00 0.00 C ATOM 831 CE2 TYR 1 74 9.962 0.372 -4.625 1.00 0.00 C ATOM 832 CZ TYR 1 74 11.028 1.116 -5.084 1.00 0.00 C ATOM 833 OH TYR 1 74 12.019 1.504 -4.211 1.00 0.00 O ATOM 0 H TYR 1 74 7.885 1.641 -9.673 1.00 0.00 H new ATOM 0 HA TYR 1 74 9.345 -0.882 -9.203 1.00 0.00 H new ATOM 0 HB2 TYR 1 74 7.157 0.682 -7.816 1.00 0.00 H new ATOM 0 HB3 TYR 1 74 7.459 -0.999 -7.424 1.00 0.00 H new ATOM 0 HD1 TYR 1 74 10.178 1.361 -8.328 1.00 0.00 H new ATOM 0 HD2 TYR 1 74 8.135 -0.598 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR 1 74 11.945 2.052 -6.771 1.00 0.00 H new ATOM 0 HE2 TYR 1 74 9.903 0.094 -3.583 1.00 0.00 H new ATOM 0 HH TYR 1 74 11.811 1.174 -3.312 1.00 0.00 H new ATOM 843 N TYR 1 75 7.899 -2.127 -10.799 1.00 0.00 N ATOM 844 CA TYR 1 75 7.055 -2.988 -11.625 1.00 0.00 C ATOM 845 C TYR 1 75 5.955 -3.688 -10.827 1.00 0.00 C ATOM 846 O TYR 1 75 4.822 -3.211 -10.774 1.00 0.00 O ATOM 847 CB TYR 1 75 7.915 -4.023 -12.358 1.00 0.00 C ATOM 848 CG TYR 1 75 8.141 -3.701 -13.819 1.00 0.00 C ATOM 849 CD1 TYR 1 75 7.115 -3.192 -14.609 1.00 0.00 C ATOM 850 CD2 TYR 1 75 9.381 -3.907 -14.410 1.00 0.00 C ATOM 851 CE1 TYR 1 75 7.320 -2.899 -15.943 1.00 0.00 C ATOM 852 CE2 TYR 1 75 9.594 -3.616 -15.744 1.00 0.00 C ATOM 853 CZ TYR 1 75 8.561 -3.113 -16.506 1.00 0.00 C ATOM 854 OH TYR 1 75 8.769 -2.822 -17.835 1.00 0.00 O ATOM 0 H TYR 1 75 8.898 -2.311 -10.889 1.00 0.00 H new ATOM 0 HA TYR 1 75 6.557 -2.342 -12.348 1.00 0.00 H new ATOM 0 HB2 TYR 1 75 8.881 -4.099 -11.858 1.00 0.00 H new ATOM 0 HB3 TYR 1 75 7.438 -5.000 -12.280 1.00 0.00 H new ATOM 0 HD1 TYR 1 75 6.142 -3.023 -14.172 1.00 0.00 H new ATOM 0 HD2 TYR 1 75 10.193 -4.301 -13.817 1.00 0.00 H new ATOM 0 HE1 TYR 1 75 6.513 -2.504 -16.542 1.00 0.00 H new ATOM 0 HE2 TYR 1 75 10.565 -3.782 -16.187 1.00 0.00 H new ATOM 0 HH TYR 1 75 9.697 -3.029 -18.074 1.00 0.00 H new ATOM 864 N GLN 1 76 6.281 -4.834 -10.235 1.00 0.00 N ATOM 865 CA GLN 1 76 5.294 -5.601 -9.477 1.00 0.00 C ATOM 866 C GLN 1 76 5.775 -5.927 -8.064 1.00 0.00 C ATOM 867 O GLN 1 76 5.849 -7.094 -7.677 1.00 0.00 O ATOM 868 CB GLN 1 76 4.953 -6.894 -10.220 1.00 0.00 C ATOM 869 CG GLN 1 76 6.163 -7.766 -10.511 1.00 0.00 C ATOM 870 CD GLN 1 76 5.865 -9.246 -10.365 1.00 0.00 C ATOM 871 OE1 GLN 1 76 6.414 -9.918 -9.492 1.00 0.00 O ATOM 872 NE2 GLN 1 76 4.991 -9.760 -11.222 1.00 0.00 N ATOM 0 H GLN 1 76 7.212 -5.250 -10.264 1.00 0.00 H new ATOM 0 HA GLN 1 76 4.403 -4.981 -9.385 1.00 0.00 H new ATOM 0 HB2 GLN 1 76 4.238 -7.465 -9.628 1.00 0.00 H new ATOM 0 HB3 GLN 1 76 4.461 -6.644 -11.160 1.00 0.00 H new ATOM 0 HG2 GLN 1 76 6.513 -7.568 -11.524 1.00 0.00 H new ATOM 0 HG3 GLN 1 76 6.973 -7.494 -9.835 1.00 0.00 H new ATOM 0 HE21 GLN 1 76 4.560 -9.165 -11.930 1.00 0.00 H new ATOM 0 HE22 GLN 1 76 4.750 -10.750 -11.173 1.00 0.00 H new ATOM 881 N PRO 1 77 6.099 -4.897 -7.268 1.00 0.00 N ATOM 882 CA PRO 1 77 6.561 -5.075 -5.889 1.00 0.00 C ATOM 883 C PRO 1 77 5.693 -6.036 -5.092 1.00 0.00 C ATOM 884 O PRO 1 77 4.466 -5.956 -5.138 1.00 0.00 O ATOM 885 CB PRO 1 77 6.430 -3.672 -5.303 1.00 0.00 C ATOM 886 CG PRO 1 77 6.623 -2.768 -6.456 1.00 0.00 C ATOM 887 CD PRO 1 77 6.035 -3.473 -7.646 1.00 0.00 C ATOM 0 HA PRO 1 77 7.565 -5.497 -5.855 1.00 0.00 H new ATOM 0 HB2 PRO 1 77 5.453 -3.524 -4.842 1.00 0.00 H new ATOM 0 HB3 PRO 1 77 7.177 -3.494 -4.530 1.00 0.00 H new ATOM 0 HG2 PRO 1 77 6.129 -1.811 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO 1 77 7.681 -2.557 -6.612 1.00 0.00 H new ATOM 0 HD2 PRO 1 77 5.010 -3.154 -7.836 1.00 0.00 H new ATOM 0 HD3 PRO 1 77 6.605 -3.272 -8.553 1.00 0.00 H new ATOM 895 N THR 1 78 6.328 -6.925 -4.336 1.00 0.00 N ATOM 896 CA THR 1 78 5.582 -7.860 -3.511 1.00 0.00 C ATOM 897 C THR 1 78 4.940 -7.094 -2.364 1.00 0.00 C ATOM 898 O THR 1 78 5.614 -6.707 -1.410 1.00 0.00 O ATOM 899 CB THR 1 78 6.502 -8.956 -2.969 1.00 0.00 C ATOM 900 OG1 THR 1 78 7.346 -9.453 -3.992 1.00 0.00 O ATOM 901 CG2 THR 1 78 5.751 -10.131 -2.381 1.00 0.00 C ATOM 0 H THR 1 78 7.342 -7.016 -4.279 1.00 0.00 H new ATOM 0 HA THR 1 78 4.810 -8.340 -4.113 1.00 0.00 H new ATOM 0 HB THR 1 78 7.080 -8.482 -2.176 1.00 0.00 H new ATOM 0 HG1 THR 1 78 8.133 -8.875 -4.076 1.00 0.00 H new ATOM 0 HG21 THR 1 78 6.462 -10.871 -2.015 1.00 0.00 H new ATOM 0 HG22 THR 1 78 5.128 -9.788 -1.555 1.00 0.00 H new ATOM 0 HG23 THR 1 78 5.121 -10.581 -3.148 1.00 0.00 H new ATOM 909 N ILE 1 79 3.640 -6.851 -2.475 1.00 0.00 N ATOM 910 CA ILE 1 79 2.921 -6.098 -1.460 1.00 0.00 C ATOM 911 C ILE 1 79 1.903 -6.963 -0.726 1.00 0.00 C ATOM 912 O ILE 1 79 0.909 -7.404 -1.303 1.00 0.00 O ATOM 913 CB ILE 1 79 2.211 -4.877 -2.084 1.00 0.00 C ATOM 914 CG1 ILE 1 79 3.225 -4.014 -2.844 1.00 0.00 C ATOM 915 CG2 ILE 1 79 1.505 -4.057 -1.010 1.00 0.00 C ATOM 916 CD1 ILE 1 79 2.780 -3.623 -4.239 1.00 0.00 C ATOM 0 H ILE 1 79 3.065 -7.164 -3.257 1.00 0.00 H new ATOM 0 HA ILE 1 79 3.660 -5.754 -0.736 1.00 0.00 H new ATOM 0 HB ILE 1 79 1.457 -5.232 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE 1 79 3.419 -3.109 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE 1 79 4.168 -4.556 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE 1 79 1.011 -3.202 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE 1 79 0.762 -4.677 -0.508 1.00 0.00 H new ATOM 0 HG23 ILE 1 79 2.236 -3.705 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE 1 79 3.552 -3.014 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE 1 79 2.614 -4.522 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE 1 79 1.854 -3.052 -4.179 1.00 0.00 H new ATOM 928 N GLU 1 80 2.158 -7.186 0.558 1.00 0.00 N ATOM 929 CA GLU 1 80 1.268 -7.982 1.394 1.00 0.00 C ATOM 930 C GLU 1 80 0.566 -7.089 2.410 1.00 0.00 C ATOM 931 O GLU 1 80 0.827 -5.886 2.471 1.00 0.00 O ATOM 932 CB GLU 1 80 2.050 -9.081 2.115 1.00 0.00 C ATOM 933 CG GLU 1 80 2.570 -10.166 1.186 1.00 0.00 C ATOM 934 CD GLU 1 80 1.739 -11.432 1.245 1.00 0.00 C ATOM 935 OE1 GLU 1 80 0.603 -11.421 0.725 1.00 0.00 O ATOM 936 OE2 GLU 1 80 2.223 -12.435 1.811 1.00 0.00 O ATOM 0 H GLU 1 80 2.978 -6.825 1.045 1.00 0.00 H new ATOM 0 HA GLU 1 80 0.519 -8.450 0.755 1.00 0.00 H new ATOM 0 HB2 GLU 1 80 2.892 -8.631 2.642 1.00 0.00 H new ATOM 0 HB3 GLU 1 80 1.409 -9.537 2.869 1.00 0.00 H new ATOM 0 HG2 GLU 1 80 2.579 -9.789 0.163 1.00 0.00 H new ATOM 0 HG3 GLU 1 80 3.602 -10.400 1.449 1.00 0.00 H new ATOM 943 N PHE 1 81 -0.326 -7.671 3.203 1.00 0.00 N ATOM 944 CA PHE 1 81 -1.055 -6.901 4.202 1.00 0.00 C ATOM 945 C PHE 1 81 -1.243 -7.683 5.497 1.00 0.00 C ATOM 946 O PHE 1 81 -1.228 -8.914 5.507 1.00 0.00 O ATOM 947 CB PHE 1 81 -2.420 -6.482 3.656 1.00 0.00 C ATOM 948 CG PHE 1 81 -2.346 -5.721 2.364 1.00 0.00 C ATOM 949 CD1 PHE 1 81 -1.900 -4.409 2.343 1.00 0.00 C ATOM 950 CD2 PHE 1 81 -2.724 -6.317 1.173 1.00 0.00 C ATOM 951 CE1 PHE 1 81 -1.833 -3.706 1.156 1.00 0.00 C ATOM 952 CE2 PHE 1 81 -2.659 -5.619 -0.016 1.00 0.00 C ATOM 953 CZ PHE 1 81 -2.213 -4.311 -0.025 1.00 0.00 C ATOM 0 H PHE 1 81 -0.560 -8.663 3.174 1.00 0.00 H new ATOM 0 HA PHE 1 81 -0.460 -6.016 4.425 1.00 0.00 H new ATOM 0 HB2 PHE 1 81 -3.031 -7.372 3.508 1.00 0.00 H new ATOM 0 HB3 PHE 1 81 -2.926 -5.868 4.401 1.00 0.00 H new ATOM 0 HD1 PHE 1 81 -1.602 -3.931 3.265 1.00 0.00 H new ATOM 0 HD2 PHE 1 81 -3.073 -7.339 1.174 1.00 0.00 H new ATOM 0 HE1 PHE 1 81 -1.484 -2.684 1.152 1.00 0.00 H new ATOM 0 HE2 PHE 1 81 -2.957 -6.095 -0.939 1.00 0.00 H new ATOM 0 HZ PHE 1 81 -2.162 -3.763 -0.954 1.00 0.00 H new ATOM 963 N ASP 1 82 -1.437 -6.946 6.587 1.00 0.00 N ATOM 964 CA ASP 1 82 -1.650 -7.543 7.899 1.00 0.00 C ATOM 965 C ASP 1 82 -2.841 -6.884 8.582 1.00 0.00 C ATOM 966 O ASP 1 82 -2.713 -5.828 9.202 1.00 0.00 O ATOM 967 CB ASP 1 82 -0.399 -7.397 8.763 1.00 0.00 C ATOM 968 CG ASP 1 82 -0.384 -8.366 9.929 1.00 0.00 C ATOM 969 OD1 ASP 1 82 -1.464 -8.627 10.498 1.00 0.00 O ATOM 970 OD2 ASP 1 82 0.709 -8.865 10.272 1.00 0.00 O ATOM 0 H ASP 1 82 -1.451 -5.926 6.585 1.00 0.00 H new ATOM 0 HA ASP 1 82 -1.857 -8.605 7.770 1.00 0.00 H new ATOM 0 HB2 ASP 1 82 0.485 -7.560 8.147 1.00 0.00 H new ATOM 0 HB3 ASP 1 82 -0.340 -6.377 9.142 1.00 0.00 H new ATOM 975 N LEU 1 83 -4.004 -7.504 8.437 1.00 0.00 N ATOM 976 CA LEU 1 83 -5.236 -6.977 9.011 1.00 0.00 C ATOM 977 C LEU 1 83 -5.317 -7.223 10.515 1.00 0.00 C ATOM 978 O LEU 1 83 -4.845 -8.241 11.021 1.00 0.00 O ATOM 979 CB LEU 1 83 -6.443 -7.609 8.310 1.00 0.00 C ATOM 980 CG LEU 1 83 -7.724 -6.764 8.266 1.00 0.00 C ATOM 981 CD1 LEU 1 83 -7.412 -5.273 8.210 1.00 0.00 C ATOM 982 CD2 LEU 1 83 -8.569 -7.174 7.070 1.00 0.00 C ATOM 0 H LEU 1 83 -4.121 -8.378 7.924 1.00 0.00 H new ATOM 0 HA LEU 1 83 -5.241 -5.898 8.856 1.00 0.00 H new ATOM 0 HB2 LEU 1 83 -6.157 -7.850 7.286 1.00 0.00 H new ATOM 0 HB3 LEU 1 83 -6.672 -8.552 8.807 1.00 0.00 H new ATOM 0 HG LEU 1 83 -8.283 -6.947 9.184 1.00 0.00 H new ATOM 0 HD11 LEU 1 83 -8.343 -4.707 8.180 1.00 0.00 H new ATOM 0 HD12 LEU 1 83 -6.842 -4.987 9.094 1.00 0.00 H new ATOM 0 HD13 LEU 1 83 -6.827 -5.057 7.316 1.00 0.00 H new ATOM 0 HD21 LEU 1 83 -9.477 -6.572 7.043 1.00 0.00 H new ATOM 0 HD22 LEU 1 83 -8.002 -7.017 6.153 1.00 0.00 H new ATOM 0 HD23 LEU 1 83 -8.835 -8.228 7.156 1.00 0.00 H new ATOM 994 N ARG 1 84 -5.928 -6.273 11.216 1.00 0.00 N ATOM 995 CA ARG 1 84 -6.096 -6.353 12.660 1.00 0.00 C ATOM 996 C ARG 1 84 -7.479 -5.862 13.060 1.00 0.00 C ATOM 997 O ARG 1 84 -7.624 -4.773 13.611 1.00 0.00 O ATOM 998 CB ARG 1 84 -5.032 -5.515 13.363 1.00 0.00 C ATOM 999 CG ARG 1 84 -3.724 -6.250 13.566 1.00 0.00 C ATOM 1000 CD ARG 1 84 -2.707 -5.881 12.502 1.00 0.00 C ATOM 1001 NE ARG 1 84 -1.494 -6.688 12.602 1.00 0.00 N ATOM 1002 CZ ARG 1 84 -0.510 -6.446 13.466 1.00 0.00 C ATOM 1003 NH1 ARG 1 84 -0.593 -5.422 14.307 1.00 0.00 N ATOM 1004 NH2 ARG 1 84 0.559 -7.230 13.489 1.00 0.00 N ATOM 0 H ARG 1 84 -6.319 -5.428 10.799 1.00 0.00 H new ATOM 0 HA ARG 1 84 -5.987 -7.395 12.961 1.00 0.00 H new ATOM 0 HB2 ARG 1 84 -4.847 -4.613 12.780 1.00 0.00 H new ATOM 0 HB3 ARG 1 84 -5.414 -5.195 14.332 1.00 0.00 H new ATOM 0 HG2 ARG 1 84 -3.322 -6.015 14.552 1.00 0.00 H new ATOM 0 HG3 ARG 1 84 -3.902 -7.325 13.543 1.00 0.00 H new ATOM 0 HD2 ARG 1 84 -3.150 -6.014 11.515 1.00 0.00 H new ATOM 0 HD3 ARG 1 84 -2.450 -4.826 12.597 1.00 0.00 H new ATOM 0 HE ARG 1 84 -1.395 -7.484 11.973 1.00 0.00 H new ATOM 0 HH11 ARG 1 84 -1.413 -4.816 14.293 1.00 0.00 H new ATOM 0 HH12 ARG 1 84 0.164 -5.241 14.967 1.00 0.00 H new ATOM 0 HH21 ARG 1 84 0.627 -8.018 12.845 1.00 0.00 H new ATOM 0 HH22 ARG 1 84 1.313 -7.045 14.151 1.00 0.00 H new ATOM 1018 N PRO 1 85 -8.521 -6.663 12.782 1.00 0.00 N ATOM 1019 CA PRO 1 85 -9.900 -6.316 13.106 1.00 0.00 C ATOM 1020 C PRO 1 85 -10.050 -5.626 14.466 1.00 0.00 C ATOM 1021 O PRO 1 85 -10.846 -4.699 14.605 1.00 0.00 O ATOM 1022 CB PRO 1 85 -10.633 -7.669 13.108 1.00 0.00 C ATOM 1023 CG PRO 1 85 -9.637 -8.701 12.667 1.00 0.00 C ATOM 1024 CD PRO 1 85 -8.442 -7.968 12.121 1.00 0.00 C ATOM 0 HA PRO 1 85 -10.299 -5.599 12.389 1.00 0.00 H new ATOM 0 HB2 PRO 1 85 -11.015 -7.900 14.102 1.00 0.00 H new ATOM 0 HB3 PRO 1 85 -11.490 -7.646 12.435 1.00 0.00 H new ATOM 0 HG2 PRO 1 85 -9.348 -9.337 13.503 1.00 0.00 H new ATOM 0 HG3 PRO 1 85 -10.069 -9.351 11.906 1.00 0.00 H new ATOM 0 HD2 PRO 1 85 -7.511 -8.483 12.357 1.00 0.00 H new ATOM 0 HD3 PRO 1 85 -8.488 -7.874 11.036 1.00 0.00 H new ATOM 1032 N PRO 1 86 -9.313 -6.083 15.500 1.00 0.00 N ATOM 1033 CA PRO 1 86 -9.389 -5.530 16.840 1.00 0.00 C ATOM 1034 C PRO 1 86 -8.212 -4.613 17.191 1.00 0.00 C ATOM 1035 O PRO 1 86 -7.384 -4.960 18.033 1.00 0.00 O ATOM 1036 CB PRO 1 86 -9.334 -6.804 17.685 1.00 0.00 C ATOM 1037 CG PRO 1 86 -8.536 -7.790 16.869 1.00 0.00 C ATOM 1038 CD PRO 1 86 -8.367 -7.199 15.485 1.00 0.00 C ATOM 0 HA PRO 1 86 -10.266 -4.899 16.985 1.00 0.00 H new ATOM 0 HB2 PRO 1 86 -8.860 -6.617 18.649 1.00 0.00 H new ATOM 0 HB3 PRO 1 86 -10.335 -7.183 17.891 1.00 0.00 H new ATOM 0 HG2 PRO 1 86 -7.565 -7.973 17.330 1.00 0.00 H new ATOM 0 HG3 PRO 1 86 -9.050 -8.750 16.817 1.00 0.00 H new ATOM 0 HD2 PRO 1 86 -7.345 -6.863 15.309 1.00 0.00 H new ATOM 0 HD3 PRO 1 86 -8.604 -7.921 14.704 1.00 0.00 H new ATOM 1046 N PRO 1 87 -8.120 -3.425 16.565 1.00 0.00 N ATOM 1047 CA PRO 1 87 -7.035 -2.477 16.843 1.00 0.00 C ATOM 1048 C PRO 1 87 -7.090 -1.941 18.266 1.00 0.00 C ATOM 1049 O PRO 1 87 -7.998 -2.266 19.031 1.00 0.00 O ATOM 1050 CB PRO 1 87 -7.271 -1.341 15.848 1.00 0.00 C ATOM 1051 CG PRO 1 87 -8.711 -1.441 15.495 1.00 0.00 C ATOM 1052 CD PRO 1 87 -9.053 -2.904 15.551 1.00 0.00 C ATOM 0 HA PRO 1 87 -6.058 -2.949 16.743 1.00 0.00 H new ATOM 0 HB2 PRO 1 87 -7.038 -0.372 16.290 1.00 0.00 H new ATOM 0 HB3 PRO 1 87 -6.639 -1.449 14.967 1.00 0.00 H new ATOM 0 HG2 PRO 1 87 -9.324 -0.870 16.193 1.00 0.00 H new ATOM 0 HG3 PRO 1 87 -8.898 -1.035 14.501 1.00 0.00 H new ATOM 0 HD2 PRO 1 87 -10.092 -3.065 15.838 1.00 0.00 H new ATOM 0 HD3 PRO 1 87 -8.911 -3.389 14.585 1.00 0.00 H new ATOM 1060 N LYS 1 88 -6.109 -1.120 18.613 1.00 0.00 N ATOM 1061 CA LYS 1 88 -6.035 -0.536 19.945 1.00 0.00 C ATOM 1062 C LYS 1 88 -6.640 0.864 19.983 1.00 0.00 C ATOM 1063 O LYS 1 88 -7.200 1.277 20.998 1.00 0.00 O ATOM 1064 CB LYS 1 88 -4.587 -0.471 20.413 1.00 0.00 C ATOM 1065 CG LYS 1 88 -3.673 0.246 19.439 1.00 0.00 C ATOM 1066 CD LYS 1 88 -3.320 1.646 19.919 1.00 0.00 C ATOM 1067 CE LYS 1 88 -1.830 1.920 19.790 1.00 0.00 C ATOM 1068 NZ LYS 1 88 -1.392 3.038 20.672 1.00 0.00 N ATOM 0 H LYS 1 88 -5.351 -0.843 17.989 1.00 0.00 H new ATOM 0 HA LYS 1 88 -6.612 -1.177 20.612 1.00 0.00 H new ATOM 0 HB2 LYS 1 88 -4.547 0.035 21.378 1.00 0.00 H new ATOM 0 HB3 LYS 1 88 -4.217 -1.484 20.569 1.00 0.00 H new ATOM 0 HG2 LYS 1 88 -2.759 -0.333 19.305 1.00 0.00 H new ATOM 0 HG3 LYS 1 88 -4.157 0.308 18.464 1.00 0.00 H new ATOM 0 HD2 LYS 1 88 -3.878 2.382 19.340 1.00 0.00 H new ATOM 0 HD3 LYS 1 88 -3.624 1.762 20.959 1.00 0.00 H new ATOM 0 HE2 LYS 1 88 -1.272 1.018 20.043 1.00 0.00 H new ATOM 0 HE3 LYS 1 88 -1.594 2.161 18.754 1.00 0.00 H new ATOM 0 HZ1 LYS 1 88 -0.370 3.193 20.554 1.00 0.00 H new ATOM 0 HZ2 LYS 1 88 -1.906 3.905 20.415 1.00 0.00 H new ATOM 0 HZ3 LYS 1 88 -1.594 2.798 21.663 1.00 0.00 H new ATOM 1082 N LYS 1 89 -6.502 1.603 18.885 1.00 0.00 N ATOM 1083 CA LYS 1 89 -7.018 2.969 18.825 1.00 0.00 C ATOM 1084 C LYS 1 89 -7.855 3.217 17.582 1.00 0.00 C ATOM 1085 O LYS 1 89 -7.874 4.330 17.054 1.00 0.00 O ATOM 1086 CB LYS 1 89 -5.864 3.967 18.879 1.00 0.00 C ATOM 1087 CG LYS 1 89 -6.313 5.414 19.008 1.00 0.00 C ATOM 1088 CD LYS 1 89 -5.462 6.177 20.011 1.00 0.00 C ATOM 1089 CE LYS 1 89 -6.158 6.295 21.357 1.00 0.00 C ATOM 1090 NZ LYS 1 89 -7.081 7.462 21.405 1.00 0.00 N ATOM 0 H LYS 1 89 -6.042 1.284 18.032 1.00 0.00 H new ATOM 0 HA LYS 1 89 -7.668 3.106 19.689 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -5.220 3.719 19.723 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -5.262 3.862 17.977 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -6.255 5.902 18.035 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -7.358 5.445 19.318 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -4.505 5.670 20.138 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -5.246 7.173 19.623 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -6.718 5.381 21.558 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -5.411 6.391 22.145 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -7.536 7.507 22.339 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -6.544 8.337 21.239 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -7.810 7.359 20.670 1.00 0.00 H new ATOM 1104 N GLY 1 90 -8.546 2.193 17.110 1.00 0.00 N ATOM 1105 CA GLY 1 90 -9.361 2.365 15.930 1.00 0.00 C ATOM 1106 C GLY 1 90 -10.390 1.268 15.749 1.00 0.00 C ATOM 1107 O GLY 1 90 -10.787 0.613 16.712 1.00 0.00 O ATOM 0 H GLY 1 90 -8.558 1.258 17.517 1.00 0.00 H new ATOM 0 HA2 GLY 1 90 -9.871 3.327 15.986 1.00 0.00 H new ATOM 0 HA3 GLY 1 90 -8.716 2.397 15.052 1.00 0.00 H new ATOM 1111 N ARG 1 91 -10.820 1.067 14.506 1.00 0.00 N ATOM 1112 CA ARG 1 91 -11.804 0.038 14.192 1.00 0.00 C ATOM 1113 C ARG 1 91 -11.110 -1.207 13.651 1.00 0.00 C ATOM 1114 O ARG 1 91 -11.317 -2.313 14.148 1.00 0.00 O ATOM 1115 CB ARG 1 91 -12.816 0.558 13.169 1.00 0.00 C ATOM 1116 CG ARG 1 91 -13.721 1.655 13.708 1.00 0.00 C ATOM 1117 CD ARG 1 91 -14.396 1.238 15.005 1.00 0.00 C ATOM 1118 NE ARG 1 91 -14.962 -0.106 14.920 1.00 0.00 N ATOM 1119 CZ ARG 1 91 -15.369 -0.808 15.975 1.00 0.00 C ATOM 1120 NH1 ARG 1 91 -15.275 -0.296 17.197 1.00 0.00 N ATOM 1121 NH2 ARG 1 91 -15.872 -2.023 15.810 1.00 0.00 N ATOM 0 H ARG 1 91 -10.501 1.604 13.700 1.00 0.00 H new ATOM 0 HA ARG 1 91 -12.335 -0.222 15.108 1.00 0.00 H new ATOM 0 HB2 ARG 1 91 -12.279 0.937 12.300 1.00 0.00 H new ATOM 0 HB3 ARG 1 91 -13.432 -0.273 12.826 1.00 0.00 H new ATOM 0 HG2 ARG 1 91 -13.137 2.560 13.876 1.00 0.00 H new ATOM 0 HG3 ARG 1 91 -14.480 1.899 12.965 1.00 0.00 H new ATOM 0 HD2 ARG 1 91 -13.672 1.276 15.819 1.00 0.00 H new ATOM 0 HD3 ARG 1 91 -15.186 1.949 15.248 1.00 0.00 H new ATOM 0 HE ARG 1 91 -15.051 -0.532 13.997 1.00 0.00 H new ATOM 0 HH11 ARG 1 91 -14.890 0.639 17.330 1.00 0.00 H new ATOM 0 HH12 ARG 1 91 -15.588 -0.838 18.002 1.00 0.00 H new ATOM 0 HH21 ARG 1 91 -15.947 -2.421 14.874 1.00 0.00 H new ATOM 0 HH22 ARG 1 91 -16.184 -2.560 16.619 1.00 0.00 H new ATOM 1135 N GLN 1 92 -10.277 -1.009 12.634 1.00 0.00 N ATOM 1136 CA GLN 1 92 -9.532 -2.104 12.022 1.00 0.00 C ATOM 1137 C GLN 1 92 -8.181 -1.614 11.516 1.00 0.00 C ATOM 1138 O GLN 1 92 -8.104 -0.640 10.767 1.00 0.00 O ATOM 1139 CB GLN 1 92 -10.332 -2.718 10.871 1.00 0.00 C ATOM 1140 CG GLN 1 92 -11.541 -3.517 11.329 1.00 0.00 C ATOM 1141 CD GLN 1 92 -11.920 -4.613 10.351 1.00 0.00 C ATOM 1142 OE1 GLN 1 92 -13.066 -4.697 9.910 1.00 0.00 O ATOM 1143 NE2 GLN 1 92 -10.956 -5.459 10.008 1.00 0.00 N ATOM 0 H GLN 1 92 -10.100 -0.096 12.215 1.00 0.00 H new ATOM 0 HA GLN 1 92 -9.365 -2.869 12.780 1.00 0.00 H new ATOM 0 HB2 GLN 1 92 -10.664 -1.922 10.205 1.00 0.00 H new ATOM 0 HB3 GLN 1 92 -9.677 -3.367 10.290 1.00 0.00 H new ATOM 0 HG2 GLN 1 92 -11.331 -3.960 12.303 1.00 0.00 H new ATOM 0 HG3 GLN 1 92 -12.388 -2.844 11.461 1.00 0.00 H new ATOM 0 HE21 GLN 1 92 -10.020 -5.351 10.399 1.00 0.00 H new ATOM 0 HE22 GLN 1 92 -11.151 -6.217 9.354 1.00 0.00 H new ATOM 1152 N VAL 1 93 -7.119 -2.292 11.931 1.00 0.00 N ATOM 1153 CA VAL 1 93 -5.773 -1.924 11.521 1.00 0.00 C ATOM 1154 C VAL 1 93 -5.317 -2.775 10.337 1.00 0.00 C ATOM 1155 O VAL 1 93 -5.393 -4.000 10.380 1.00 0.00 O ATOM 1156 CB VAL 1 93 -4.782 -2.080 12.699 1.00 0.00 C ATOM 1157 CG1 VAL 1 93 -3.433 -2.600 12.230 1.00 0.00 C ATOM 1158 CG2 VAL 1 93 -4.616 -0.760 13.434 1.00 0.00 C ATOM 0 H VAL 1 93 -7.165 -3.100 12.552 1.00 0.00 H new ATOM 0 HA VAL 1 93 -5.788 -0.878 11.213 1.00 0.00 H new ATOM 0 HB VAL 1 93 -5.200 -2.815 13.387 1.00 0.00 H new ATOM 0 HG11 VAL 1 93 -2.763 -2.697 13.085 1.00 0.00 H new ATOM 0 HG12 VAL 1 93 -3.563 -3.574 11.758 1.00 0.00 H new ATOM 0 HG13 VAL 1 93 -3.004 -1.903 11.510 1.00 0.00 H new ATOM 0 HG21 VAL 1 93 -3.916 -0.889 14.259 1.00 0.00 H new ATOM 0 HG22 VAL 1 93 -4.232 -0.006 12.746 1.00 0.00 H new ATOM 0 HG23 VAL 1 93 -5.581 -0.437 13.824 1.00 0.00 H new ATOM 1168 N LEU 1 94 -4.835 -2.123 9.286 1.00 0.00 N ATOM 1169 CA LEU 1 94 -4.362 -2.834 8.105 1.00 0.00 C ATOM 1170 C LEU 1 94 -3.000 -2.307 7.667 1.00 0.00 C ATOM 1171 O LEU 1 94 -2.859 -1.140 7.300 1.00 0.00 O ATOM 1172 CB LEU 1 94 -5.376 -2.711 6.962 1.00 0.00 C ATOM 1173 CG LEU 1 94 -5.084 -3.564 5.720 1.00 0.00 C ATOM 1174 CD1 LEU 1 94 -4.218 -2.795 4.735 1.00 0.00 C ATOM 1175 CD2 LEU 1 94 -4.419 -4.881 6.101 1.00 0.00 C ATOM 0 H LEU 1 94 -4.762 -1.107 9.227 1.00 0.00 H new ATOM 0 HA LEU 1 94 -4.255 -3.888 8.362 1.00 0.00 H new ATOM 0 HB2 LEU 1 94 -6.361 -2.982 7.343 1.00 0.00 H new ATOM 0 HB3 LEU 1 94 -5.429 -1.666 6.658 1.00 0.00 H new ATOM 0 HG LEU 1 94 -6.035 -3.794 5.240 1.00 0.00 H new ATOM 0 HD11 LEU 1 94 -4.022 -3.416 3.861 1.00 0.00 H new ATOM 0 HD12 LEU 1 94 -4.737 -1.887 4.426 1.00 0.00 H new ATOM 0 HD13 LEU 1 94 -3.274 -2.529 5.211 1.00 0.00 H new ATOM 0 HD21 LEU 1 94 -4.224 -5.464 5.201 1.00 0.00 H new ATOM 0 HD22 LEU 1 94 -3.478 -4.679 6.613 1.00 0.00 H new ATOM 0 HD23 LEU 1 94 -5.078 -5.444 6.762 1.00 0.00 H new ATOM 1187 N ILE 1 95 -1.998 -3.177 7.719 1.00 0.00 N ATOM 1188 CA ILE 1 95 -0.640 -2.808 7.337 1.00 0.00 C ATOM 1189 C ILE 1 95 -0.346 -3.204 5.895 1.00 0.00 C ATOM 1190 O ILE 1 95 -0.937 -4.144 5.368 1.00 0.00 O ATOM 1191 CB ILE 1 95 0.402 -3.466 8.263 1.00 0.00 C ATOM 1192 CG1 ILE 1 95 0.067 -3.177 9.729 1.00 0.00 C ATOM 1193 CG2 ILE 1 95 1.802 -2.973 7.926 1.00 0.00 C ATOM 1194 CD1 ILE 1 95 0.089 -4.409 10.606 1.00 0.00 C ATOM 0 H ILE 1 95 -2.101 -4.145 8.023 1.00 0.00 H new ATOM 0 HA ILE 1 95 -0.568 -1.725 7.433 1.00 0.00 H new ATOM 0 HB ILE 1 95 0.373 -4.545 8.108 1.00 0.00 H new ATOM 0 HG12 ILE 1 95 0.779 -2.450 10.120 1.00 0.00 H new ATOM 0 HG13 ILE 1 95 -0.920 -2.719 9.784 1.00 0.00 H new ATOM 0 HG21 ILE 1 95 2.525 -3.448 8.590 1.00 0.00 H new ATOM 0 HG22 ILE 1 95 2.038 -3.226 6.892 1.00 0.00 H new ATOM 0 HG23 ILE 1 95 1.848 -1.892 8.054 1.00 0.00 H new ATOM 0 HD11 ILE 1 95 -0.157 -4.131 11.631 1.00 0.00 H new ATOM 0 HD12 ILE 1 95 -0.643 -5.129 10.240 1.00 0.00 H new ATOM 0 HD13 ILE 1 95 1.083 -4.856 10.580 1.00 0.00 H new ATOM 1206 N ALA 1 96 0.571 -2.477 5.263 1.00 0.00 N ATOM 1207 CA ALA 1 96 0.946 -2.750 3.881 1.00 0.00 C ATOM 1208 C ALA 1 96 2.462 -2.764 3.714 1.00 0.00 C ATOM 1209 O ALA 1 96 3.113 -1.719 3.764 1.00 0.00 O ATOM 1210 CB ALA 1 96 0.322 -1.719 2.952 1.00 0.00 C ATOM 0 H ALA 1 96 1.068 -1.694 5.687 1.00 0.00 H new ATOM 0 HA ALA 1 96 0.569 -3.738 3.618 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 0.610 -1.935 1.923 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 -0.764 -1.759 3.041 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 0.672 -0.724 3.226 1.00 0.00 H new ATOM 1216 N LYS 1 97 3.018 -3.955 3.513 1.00 0.00 N ATOM 1217 CA LYS 1 97 4.458 -4.106 3.337 1.00 0.00 C ATOM 1218 C LYS 1 97 4.791 -4.463 1.892 1.00 0.00 C ATOM 1219 O LYS 1 97 4.320 -5.473 1.369 1.00 0.00 O ATOM 1220 CB LYS 1 97 4.999 -5.184 4.278 1.00 0.00 C ATOM 1221 CG LYS 1 97 4.478 -5.065 5.702 1.00 0.00 C ATOM 1222 CD LYS 1 97 3.399 -6.097 5.990 1.00 0.00 C ATOM 1223 CE LYS 1 97 3.977 -7.340 6.645 1.00 0.00 C ATOM 1224 NZ LYS 1 97 4.379 -7.089 8.056 1.00 0.00 N ATOM 0 H LYS 1 97 2.494 -4.829 3.468 1.00 0.00 H new ATOM 0 HA LYS 1 97 4.931 -3.154 3.578 1.00 0.00 H new ATOM 0 HB2 LYS 1 97 4.734 -6.165 3.884 1.00 0.00 H new ATOM 0 HB3 LYS 1 97 6.088 -5.129 4.292 1.00 0.00 H new ATOM 0 HG2 LYS 1 97 5.302 -5.194 6.404 1.00 0.00 H new ATOM 0 HG3 LYS 1 97 4.077 -4.064 5.861 1.00 0.00 H new ATOM 0 HD2 LYS 1 97 2.641 -5.661 6.641 1.00 0.00 H new ATOM 0 HD3 LYS 1 97 2.901 -6.373 5.061 1.00 0.00 H new ATOM 0 HE2 LYS 1 97 3.240 -8.142 6.615 1.00 0.00 H new ATOM 0 HE3 LYS 1 97 4.842 -7.681 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS 1 97 4.493 -7.996 8.551 1.00 0.00 H new ATOM 0 HZ2 LYS 1 97 5.280 -6.569 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS 1 97 3.645 -6.525 8.531 1.00 0.00 H new ATOM 1238 N VAL 1 98 5.600 -3.627 1.250 1.00 0.00 N ATOM 1239 CA VAL 1 98 5.987 -3.855 -0.136 1.00 0.00 C ATOM 1240 C VAL 1 98 7.472 -4.189 -0.251 1.00 0.00 C ATOM 1241 O VAL 1 98 8.292 -3.691 0.521 1.00 0.00 O ATOM 1242 CB VAL 1 98 5.676 -2.624 -1.008 1.00 0.00 C ATOM 1243 CG1 VAL 1 98 6.449 -1.410 -0.518 1.00 0.00 C ATOM 1244 CG2 VAL 1 98 5.982 -2.909 -2.470 1.00 0.00 C ATOM 0 H VAL 1 98 6.000 -2.786 1.667 1.00 0.00 H new ATOM 0 HA VAL 1 98 5.405 -4.704 -0.493 1.00 0.00 H new ATOM 0 HB VAL 1 98 4.612 -2.404 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL 1 98 6.215 -0.551 -1.147 1.00 0.00 H new ATOM 0 HG12 VAL 1 98 6.169 -1.192 0.512 1.00 0.00 H new ATOM 0 HG13 VAL 1 98 7.518 -1.615 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL 1 98 5.755 -2.026 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL 1 98 7.037 -3.160 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL 1 98 5.373 -3.746 -2.813 1.00 0.00 H new ATOM 1254 N THR 1 99 7.810 -5.033 -1.221 1.00 0.00 N ATOM 1255 CA THR 1 99 9.195 -5.432 -1.439 1.00 0.00 C ATOM 1256 C THR 1 99 9.421 -5.856 -2.889 1.00 0.00 C ATOM 1257 O THR 1 99 9.243 -7.023 -3.239 1.00 0.00 O ATOM 1258 CB THR 1 99 9.571 -6.578 -0.497 1.00 0.00 C ATOM 1259 OG1 THR 1 99 9.351 -6.211 0.853 1.00 0.00 O ATOM 1260 CG2 THR 1 99 11.016 -7.009 -0.626 1.00 0.00 C ATOM 0 H THR 1 99 7.143 -5.454 -1.868 1.00 0.00 H new ATOM 0 HA THR 1 99 9.831 -4.572 -1.229 1.00 0.00 H new ATOM 0 HB THR 1 99 8.932 -7.412 -0.788 1.00 0.00 H new ATOM 0 HG1 THR 1 99 9.596 -6.957 1.439 1.00 0.00 H new ATOM 0 HG21 THR 1 99 11.216 -7.824 0.069 1.00 0.00 H new ATOM 0 HG22 THR 1 99 11.205 -7.346 -1.645 1.00 0.00 H new ATOM 0 HG23 THR 1 99 11.669 -6.167 -0.395 1.00 0.00 H new ATOM 1268 N PRO 1 100 9.812 -4.907 -3.759 1.00 0.00 N ATOM 1269 CA PRO 1 100 10.060 -5.174 -5.167 1.00 0.00 C ATOM 1270 C PRO 1 100 11.503 -5.595 -5.437 1.00 0.00 C ATOM 1271 O PRO 1 100 11.795 -6.783 -5.569 1.00 0.00 O ATOM 1272 CB PRO 1 100 9.753 -3.834 -5.841 1.00 0.00 C ATOM 1273 CG PRO 1 100 9.717 -2.802 -4.747 1.00 0.00 C ATOM 1274 CD PRO 1 100 10.039 -3.496 -3.447 1.00 0.00 C ATOM 0 HA PRO 1 100 9.454 -6.001 -5.538 1.00 0.00 H new ATOM 0 HB2 PRO 1 100 10.515 -3.588 -6.581 1.00 0.00 H new ATOM 0 HB3 PRO 1 100 8.799 -3.874 -6.367 1.00 0.00 H new ATOM 0 HG2 PRO 1 100 10.438 -2.009 -4.946 1.00 0.00 H new ATOM 0 HG3 PRO 1 100 8.734 -2.333 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO 1 100 11.067 -3.312 -3.136 1.00 0.00 H new ATOM 0 HD3 PRO 1 100 9.395 -3.154 -2.637 1.00 0.00 H new ATOM 1282 N GLY 1 101 12.406 -4.617 -5.513 1.00 0.00 N ATOM 1283 CA GLY 1 101 13.802 -4.920 -5.761 1.00 0.00 C ATOM 1284 C GLY 1 101 14.340 -4.270 -7.022 1.00 0.00 C ATOM 1285 O GLY 1 101 15.549 -4.086 -7.161 1.00 0.00 O ATOM 0 H GLY 1 101 12.194 -3.625 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY 1 101 14.396 -4.590 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY 1 101 13.925 -6.000 -5.836 1.00 0.00 H new ATOM 1289 N VAL 1 102 13.450 -3.932 -7.951 1.00 0.00 N ATOM 1290 CA VAL 1 102 13.863 -3.316 -9.207 1.00 0.00 C ATOM 1291 C VAL 1 102 13.324 -1.896 -9.354 1.00 0.00 C ATOM 1292 O VAL 1 102 12.206 -1.595 -8.935 1.00 0.00 O ATOM 1293 CB VAL 1 102 13.399 -4.150 -10.417 1.00 0.00 C ATOM 1294 CG1 VAL 1 102 11.886 -4.080 -10.569 1.00 0.00 C ATOM 1295 CG2 VAL 1 102 14.092 -3.679 -11.687 1.00 0.00 C ATOM 0 H VAL 1 102 12.444 -4.073 -7.858 1.00 0.00 H new ATOM 0 HA VAL 1 102 14.952 -3.278 -9.183 1.00 0.00 H new ATOM 0 HB VAL 1 102 13.674 -5.190 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL 1 102 11.579 -4.675 -11.429 1.00 0.00 H new ATOM 0 HG12 VAL 1 102 11.411 -4.471 -9.669 1.00 0.00 H new ATOM 0 HG13 VAL 1 102 11.583 -3.044 -10.718 1.00 0.00 H new ATOM 0 HG21 VAL 1 102 13.752 -4.279 -12.531 1.00 0.00 H new ATOM 0 HG22 VAL 1 102 13.850 -2.631 -11.866 1.00 0.00 H new ATOM 0 HG23 VAL 1 102 15.171 -3.789 -11.575 1.00 0.00 H new ATOM 1305 N LEU 1 103 14.124 -1.035 -9.973 1.00 0.00 N ATOM 1306 CA LEU 1 103 13.733 0.348 -10.208 1.00 0.00 C ATOM 1307 C LEU 1 103 14.209 0.802 -11.583 1.00 0.00 C ATOM 1308 O LEU 1 103 15.401 1.016 -11.800 1.00 0.00 O ATOM 1309 CB LEU 1 103 14.297 1.265 -9.114 1.00 0.00 C ATOM 1310 CG LEU 1 103 14.026 2.773 -9.283 1.00 0.00 C ATOM 1311 CD1 LEU 1 103 12.902 3.039 -10.276 1.00 0.00 C ATOM 1312 CD2 LEU 1 103 13.690 3.402 -7.941 1.00 0.00 C ATOM 0 H LEU 1 103 15.052 -1.273 -10.322 1.00 0.00 H new ATOM 0 HA LEU 1 103 12.645 0.410 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU 1 103 13.885 0.948 -8.156 1.00 0.00 H new ATOM 0 HB3 LEU 1 103 15.375 1.114 -9.063 1.00 0.00 H new ATOM 0 HG LEU 1 103 14.935 3.226 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU 1 103 12.743 4.114 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU 1 103 13.172 2.629 -11.249 1.00 0.00 H new ATOM 0 HD13 LEU 1 103 11.986 2.565 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU 1 103 13.501 4.467 -8.075 1.00 0.00 H new ATOM 0 HD22 LEU 1 103 12.801 2.925 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU 1 103 14.527 3.266 -7.256 1.00 0.00 H new