USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 SER OG : rot 180:sc= 1.09 USER MOD Set 1.2: A 18 SER OG : rot 73:sc= 1.21 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0897 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.505 K(o=-0.5,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.377 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0173 K(o=-0.017,f=-0.72) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.08 K(o=1.1,f=-5.1!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 143:sc= -0.181 (180deg=-0.951) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.0243 F(o=-0.99,f=-0.024) USER MOD Single : A 105 SER OG : rot 86:sc= 1.22 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.995 -9.456 -4.705 1.00 0.00 N ATOM 2 CA MET A 1 -3.998 -8.069 -4.209 1.00 0.00 C ATOM 3 C MET A 1 -2.807 -7.833 -3.289 1.00 0.00 C ATOM 4 O MET A 1 -2.397 -8.725 -2.554 1.00 0.00 O ATOM 5 CB MET A 1 -5.340 -7.712 -3.542 1.00 0.00 C ATOM 6 CG MET A 1 -5.343 -6.383 -2.769 1.00 0.00 C ATOM 7 SD MET A 1 -6.985 -5.688 -2.442 1.00 0.00 S ATOM 8 CE MET A 1 -7.725 -6.984 -1.419 1.00 0.00 C ATOM 0 H1 MET A 1 -3.953 -9.453 -5.744 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.167 -9.958 -4.326 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.863 -9.937 -4.395 1.00 0.00 H new ATOM 0 HA MET A 1 -3.892 -7.395 -5.059 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.112 -7.671 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.614 -8.515 -2.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.833 -6.533 -1.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.761 -5.652 -3.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.738 -6.694 -1.141 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.755 -7.918 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.127 -7.122 -0.518 1.00 0.00 H new ATOM 18 N ILE A 2 -2.258 -6.616 -3.324 1.00 0.00 N ATOM 19 CA ILE A 2 -1.162 -6.135 -2.488 1.00 0.00 C ATOM 20 C ILE A 2 -1.581 -4.715 -2.086 1.00 0.00 C ATOM 21 O ILE A 2 -2.229 -4.036 -2.888 1.00 0.00 O ATOM 22 CB ILE A 2 0.173 -6.139 -3.273 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.353 -7.452 -4.066 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.384 -5.880 -2.366 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.675 -7.585 -4.816 1.00 0.00 C ATOM 0 H ILE A 2 -2.587 -5.902 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.990 -6.767 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 2 0.120 -5.314 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.260 -8.290 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.463 -7.539 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.295 -5.893 -2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.278 -4.907 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.440 -6.656 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.702 -8.541 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.767 -6.773 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.502 -7.536 -4.107 1.00 0.00 H new ATOM 37 N ILE A 3 -1.233 -4.292 -0.874 1.00 0.00 N ATOM 38 CA ILE A 3 -1.770 -3.166 -0.118 1.00 0.00 C ATOM 39 C ILE A 3 -0.592 -2.276 0.242 1.00 0.00 C ATOM 40 O ILE A 3 0.270 -2.727 0.995 1.00 0.00 O ATOM 41 CB ILE A 3 -2.447 -3.705 1.164 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.611 -4.661 0.825 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.913 -2.571 2.089 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.429 -6.007 1.530 1.00 0.00 C ATOM 0 H ILE A 3 -0.502 -4.772 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.509 -2.606 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.693 -4.274 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.557 -4.212 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.661 -4.813 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.382 -2.995 2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.055 -1.968 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.633 -1.944 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.260 -6.665 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.493 -6.463 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.404 -5.852 2.609 1.00 0.00 H new ATOM 56 N ALA A 4 -0.483 -1.077 -0.328 1.00 0.00 N ATOM 57 CA ALA A 4 0.621 -0.168 -0.015 1.00 0.00 C ATOM 58 C ALA A 4 0.339 0.644 1.239 1.00 0.00 C ATOM 59 O ALA A 4 -0.801 1.070 1.423 1.00 0.00 O ATOM 60 CB ALA A 4 0.895 0.797 -1.176 1.00 0.00 C ATOM 0 H ALA A 4 -1.147 -0.711 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 4 1.498 -0.793 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.720 1.459 -0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.157 0.228 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.003 1.391 -1.374 1.00 0.00 H new ATOM 66 N ILE A 5 1.382 0.980 2.005 1.00 0.00 N ATOM 67 CA ILE A 5 1.345 1.955 3.088 1.00 0.00 C ATOM 68 C ILE A 5 2.672 2.727 3.035 1.00 0.00 C ATOM 69 O ILE A 5 3.729 2.144 3.270 1.00 0.00 O ATOM 70 CB ILE A 5 1.092 1.313 4.475 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.318 0.696 4.529 1.00 0.00 C ATOM 72 CG2 ILE A 5 1.180 2.377 5.587 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.650 -0.076 5.804 1.00 0.00 C ATOM 0 H ILE A 5 2.305 0.564 1.880 1.00 0.00 H new ATOM 0 HA ILE A 5 0.501 2.630 2.951 1.00 0.00 H new ATOM 0 HB ILE A 5 1.850 0.545 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.050 1.495 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.435 0.025 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.000 1.908 6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.172 2.828 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.430 3.149 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.665 -0.468 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.051 -0.902 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.574 0.590 6.663 1.00 0.00 H new ATOM 85 N PRO A 6 2.664 4.032 2.724 1.00 0.00 N ATOM 86 CA PRO A 6 3.822 4.895 2.873 1.00 0.00 C ATOM 87 C PRO A 6 4.099 5.094 4.358 1.00 0.00 C ATOM 88 O PRO A 6 3.352 5.819 5.022 1.00 0.00 O ATOM 89 CB PRO A 6 3.444 6.192 2.154 1.00 0.00 C ATOM 90 CG PRO A 6 1.931 6.250 2.286 1.00 0.00 C ATOM 91 CD PRO A 6 1.504 4.792 2.308 1.00 0.00 C ATOM 0 HA PRO A 6 4.738 4.487 2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.919 7.058 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.754 6.176 1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.630 6.767 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.478 6.785 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.673 4.641 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.163 4.472 1.323 1.00 0.00 H new ATOM 99 N VAL A 7 5.187 4.525 4.873 1.00 0.00 N ATOM 100 CA VAL A 7 5.566 4.636 6.280 1.00 0.00 C ATOM 101 C VAL A 7 6.761 5.566 6.463 1.00 0.00 C ATOM 102 O VAL A 7 7.609 5.669 5.574 1.00 0.00 O ATOM 103 CB VAL A 7 5.809 3.244 6.893 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.499 2.472 6.981 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.835 2.383 6.138 1.00 0.00 C ATOM 0 H VAL A 7 5.837 3.968 4.319 1.00 0.00 H new ATOM 0 HA VAL A 7 4.735 5.087 6.822 1.00 0.00 H new ATOM 0 HB VAL A 7 6.226 3.438 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.684 1.490 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.795 3.020 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.079 2.353 5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.942 1.421 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.493 2.223 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.798 2.894 6.123 1.00 0.00 H new ATOM 115 N SER A 8 6.793 6.290 7.582 1.00 0.00 N ATOM 116 CA SER A 8 7.889 7.189 7.918 1.00 0.00 C ATOM 117 C SER A 8 9.120 6.415 8.398 1.00 0.00 C ATOM 118 O SER A 8 10.224 6.938 8.282 1.00 0.00 O ATOM 119 CB SER A 8 7.435 8.212 8.969 1.00 0.00 C ATOM 120 OG SER A 8 6.475 9.085 8.397 1.00 0.00 O ATOM 0 H SER A 8 6.053 6.267 8.283 1.00 0.00 H new ATOM 0 HA SER A 8 8.177 7.726 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.008 7.699 9.830 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.291 8.782 9.330 1.00 0.00 H new ATOM 0 HG SER A 8 6.184 9.737 9.069 1.00 0.00 H new ATOM 126 N GLU A 9 8.972 5.184 8.898 1.00 0.00 N ATOM 127 CA GLU A 9 10.097 4.369 9.338 1.00 0.00 C ATOM 128 C GLU A 9 9.851 2.913 8.949 1.00 0.00 C ATOM 129 O GLU A 9 8.707 2.453 8.895 1.00 0.00 O ATOM 130 CB GLU A 9 10.334 4.523 10.850 1.00 0.00 C ATOM 131 CG GLU A 9 10.973 5.872 11.218 1.00 0.00 C ATOM 132 CD GLU A 9 11.360 5.953 12.697 1.00 0.00 C ATOM 133 OE1 GLU A 9 10.488 5.687 13.556 1.00 0.00 O ATOM 134 OE2 GLU A 9 12.522 6.297 13.016 1.00 0.00 O ATOM 0 H GLU A 9 8.066 4.729 9.007 1.00 0.00 H new ATOM 0 HA GLU A 9 11.005 4.712 8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.384 4.421 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.978 3.715 11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.860 6.030 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.276 6.677 10.983 1.00 0.00 H new ATOM 141 N ASN A 10 10.939 2.195 8.684 1.00 0.00 N ATOM 142 CA ASN A 10 11.002 0.778 8.381 1.00 0.00 C ATOM 143 C ASN A 10 11.034 0.088 9.734 1.00 0.00 C ATOM 144 O ASN A 10 12.070 0.109 10.395 1.00 0.00 O ATOM 145 CB ASN A 10 12.281 0.526 7.551 1.00 0.00 C ATOM 146 CG ASN A 10 12.661 -0.937 7.338 1.00 0.00 C ATOM 147 OD1 ASN A 10 12.624 -1.766 8.239 1.00 0.00 O ATOM 148 ND2 ASN A 10 13.014 -1.322 6.132 1.00 0.00 N ATOM 0 H ASN A 10 11.864 2.625 8.676 1.00 0.00 H new ATOM 0 HA ASN A 10 10.163 0.403 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.155 0.994 6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.114 1.030 8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.252 -2.298 5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.050 -0.644 5.370 1.00 0.00 H new ATOM 155 N ARG A 11 9.894 -0.434 10.204 1.00 0.00 N ATOM 156 CA ARG A 11 9.840 -1.102 11.502 1.00 0.00 C ATOM 157 C ARG A 11 8.939 -2.343 11.483 1.00 0.00 C ATOM 158 O ARG A 11 8.231 -2.586 12.453 1.00 0.00 O ATOM 159 CB ARG A 11 9.320 -0.129 12.571 1.00 0.00 C ATOM 160 CG ARG A 11 9.980 1.244 12.675 1.00 0.00 C ATOM 161 CD ARG A 11 9.365 1.921 13.901 1.00 0.00 C ATOM 162 NE ARG A 11 10.160 3.056 14.376 1.00 0.00 N ATOM 163 CZ ARG A 11 10.610 3.249 15.618 1.00 0.00 C ATOM 164 NH1 ARG A 11 10.598 2.287 16.537 1.00 0.00 N ATOM 165 NH2 ARG A 11 11.089 4.438 15.942 1.00 0.00 N ATOM 0 H ARG A 11 9.004 -0.405 9.706 1.00 0.00 H new ATOM 0 HA ARG A 11 10.855 -1.423 11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.256 0.025 12.392 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.413 -0.618 13.541 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.060 1.149 12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.800 1.832 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.360 2.264 13.656 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.266 1.190 14.704 1.00 0.00 H new ATOM 0 HE ARG A 11 10.394 3.772 13.688 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.236 1.363 16.303 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.951 2.474 17.476 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.109 5.186 15.249 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.438 4.607 16.885 1.00 0.00 H new ATOM 179 N GLY A 12 8.966 -3.123 10.400 1.00 0.00 N ATOM 180 CA GLY A 12 8.248 -4.386 10.211 1.00 0.00 C ATOM 181 C GLY A 12 6.979 -4.516 11.003 1.00 0.00 C ATOM 182 O GLY A 12 6.959 -5.212 12.009 1.00 0.00 O ATOM 0 H GLY A 12 9.523 -2.875 9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.012 -4.498 9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.912 -5.208 10.478 1.00 0.00 H new ATOM 186 N LYS A 13 5.936 -3.893 10.440 1.00 0.00 N ATOM 187 CA LYS A 13 4.543 -3.761 10.853 1.00 0.00 C ATOM 188 C LYS A 13 4.320 -2.670 11.910 1.00 0.00 C ATOM 189 O LYS A 13 3.270 -2.035 11.852 1.00 0.00 O ATOM 190 CB LYS A 13 3.947 -5.128 11.243 1.00 0.00 C ATOM 191 CG LYS A 13 4.038 -5.354 12.755 1.00 0.00 C ATOM 192 CD LYS A 13 3.948 -6.819 13.185 1.00 0.00 C ATOM 193 CE LYS A 13 5.320 -7.252 13.709 1.00 0.00 C ATOM 194 NZ LYS A 13 5.295 -8.634 14.212 1.00 0.00 N ATOM 0 H LYS A 13 6.078 -3.401 9.558 1.00 0.00 H new ATOM 0 HA LYS A 13 3.985 -3.409 9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.905 -5.179 10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.478 -5.923 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.980 -4.940 13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.238 -4.796 13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.190 -6.942 13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.648 -7.444 12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.058 -7.168 12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.635 -6.579 14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.240 -8.894 14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.608 -8.708 14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.019 -9.278 13.444 1.00 0.00 H new ATOM 208 N ASP A 14 5.296 -2.369 12.781 1.00 0.00 N ATOM 209 CA ASP A 14 5.251 -1.178 13.652 1.00 0.00 C ATOM 210 C ASP A 14 5.466 0.095 12.823 1.00 0.00 C ATOM 211 O ASP A 14 5.378 1.208 13.339 1.00 0.00 O ATOM 212 CB ASP A 14 6.349 -1.173 14.737 1.00 0.00 C ATOM 213 CG ASP A 14 6.363 -2.328 15.725 1.00 0.00 C ATOM 214 OD1 ASP A 14 5.385 -3.101 15.834 1.00 0.00 O ATOM 215 OD2 ASP A 14 7.374 -2.448 16.458 1.00 0.00 O ATOM 0 H ASP A 14 6.134 -2.938 12.903 1.00 0.00 H new ATOM 0 HA ASP A 14 4.270 -1.207 14.127 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.317 -1.147 14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.258 -0.246 15.304 1.00 0.00 H new ATOM 220 N SER A 15 5.823 -0.071 11.546 1.00 0.00 N ATOM 221 CA SER A 15 6.077 0.942 10.545 1.00 0.00 C ATOM 222 C SER A 15 4.963 2.013 10.579 1.00 0.00 C ATOM 223 O SER A 15 3.824 1.697 10.227 1.00 0.00 O ATOM 224 CB SER A 15 6.199 0.228 9.200 1.00 0.00 C ATOM 225 OG SER A 15 7.052 -0.910 9.246 1.00 0.00 O ATOM 0 H SER A 15 5.950 -1.008 11.163 1.00 0.00 H new ATOM 0 HA SER A 15 7.005 1.482 10.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.208 -0.082 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.579 0.929 8.457 1.00 0.00 H new ATOM 0 HG SER A 15 7.090 -1.326 8.360 1.00 0.00 H new ATOM 231 N PRO A 16 5.236 3.244 11.055 1.00 0.00 N ATOM 232 CA PRO A 16 4.210 4.266 11.271 1.00 0.00 C ATOM 233 C PRO A 16 3.794 4.884 9.935 1.00 0.00 C ATOM 234 O PRO A 16 4.675 5.274 9.162 1.00 0.00 O ATOM 235 CB PRO A 16 4.877 5.305 12.182 1.00 0.00 C ATOM 236 CG PRO A 16 6.363 5.196 11.839 1.00 0.00 C ATOM 237 CD PRO A 16 6.528 3.708 11.541 1.00 0.00 C ATOM 0 HA PRO A 16 3.302 3.863 11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.495 6.308 11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.693 5.090 13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.627 5.813 10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.995 5.516 12.668 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.306 3.545 10.795 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.826 3.163 12.437 1.00 0.00 H new ATOM 245 N ILE A 17 2.493 5.006 9.644 1.00 0.00 N ATOM 246 CA ILE A 17 2.043 5.635 8.404 1.00 0.00 C ATOM 247 C ILE A 17 2.502 7.098 8.370 1.00 0.00 C ATOM 248 O ILE A 17 2.476 7.807 9.379 1.00 0.00 O ATOM 249 CB ILE A 17 0.517 5.469 8.208 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.117 5.706 6.734 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.298 6.385 9.124 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.278 5.152 6.410 1.00 0.00 C ATOM 0 H ILE A 17 1.740 4.678 10.249 1.00 0.00 H new ATOM 0 HA ILE A 17 2.503 5.130 7.555 1.00 0.00 H new ATOM 0 HB ILE A 17 0.284 4.440 8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.139 6.775 6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.852 5.236 6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.361 6.227 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.068 6.157 10.165 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.046 7.425 8.916 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.511 5.344 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.295 4.078 6.595 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.019 5.640 7.042 1.00 0.00 H new ATOM 264 N SER A 18 2.917 7.554 7.194 1.00 0.00 N ATOM 265 CA SER A 18 3.386 8.903 6.944 1.00 0.00 C ATOM 266 C SER A 18 2.249 9.783 6.428 1.00 0.00 C ATOM 267 O SER A 18 1.097 9.355 6.323 1.00 0.00 O ATOM 268 CB SER A 18 4.504 8.814 5.909 1.00 0.00 C ATOM 269 OG SER A 18 5.423 9.878 6.038 1.00 0.00 O ATOM 0 H SER A 18 2.935 6.968 6.359 1.00 0.00 H new ATOM 0 HA SER A 18 3.752 9.354 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.028 7.865 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.074 8.824 4.907 1.00 0.00 H new ATOM 0 HG SER A 18 5.973 9.740 6.838 1.00 0.00 H new ATOM 275 N GLU A 19 2.588 11.005 6.033 1.00 0.00 N ATOM 276 CA GLU A 19 1.650 12.029 5.621 1.00 0.00 C ATOM 277 C GLU A 19 1.580 12.148 4.097 1.00 0.00 C ATOM 278 O GLU A 19 0.477 12.244 3.551 1.00 0.00 O ATOM 279 CB GLU A 19 1.990 13.386 6.255 1.00 0.00 C ATOM 280 CG GLU A 19 1.694 13.502 7.756 1.00 0.00 C ATOM 281 CD GLU A 19 2.689 12.827 8.712 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.715 12.250 8.289 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.402 12.871 9.927 1.00 0.00 O ATOM 0 H GLU A 19 3.559 11.315 5.991 1.00 0.00 H new ATOM 0 HA GLU A 19 0.666 11.725 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.049 13.589 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.433 14.163 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.642 14.560 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.706 13.081 7.941 1.00 0.00 H new ATOM 290 N HIS A 20 2.716 12.111 3.388 1.00 0.00 N ATOM 291 CA HIS A 20 2.815 12.355 1.948 1.00 0.00 C ATOM 292 C HIS A 20 3.430 11.148 1.260 1.00 0.00 C ATOM 293 O HIS A 20 4.642 10.982 1.255 1.00 0.00 O ATOM 294 CB HIS A 20 3.656 13.612 1.658 1.00 0.00 C ATOM 295 CG HIS A 20 2.925 14.889 1.978 1.00 0.00 C ATOM 296 ND1 HIS A 20 2.377 15.764 1.057 1.00 0.00 N ATOM 297 CD2 HIS A 20 2.688 15.385 3.229 1.00 0.00 C ATOM 298 CE1 HIS A 20 1.773 16.750 1.743 1.00 0.00 C ATOM 299 NE2 HIS A 20 1.951 16.539 3.062 1.00 0.00 N ATOM 0 H HIS A 20 3.618 11.904 3.817 1.00 0.00 H new ATOM 0 HA HIS A 20 1.810 12.520 1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.577 13.570 2.240 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.943 13.617 0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.014 14.957 4.166 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.233 17.577 1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.599 17.134 3.812 1.00 0.00 H new ATOM 308 N PHE A 21 2.595 10.365 0.582 1.00 0.00 N ATOM 309 CA PHE A 21 2.996 9.339 -0.373 1.00 0.00 C ATOM 310 C PHE A 21 4.098 9.844 -1.315 1.00 0.00 C ATOM 311 O PHE A 21 5.077 9.146 -1.540 1.00 0.00 O ATOM 312 CB PHE A 21 1.742 8.916 -1.147 1.00 0.00 C ATOM 313 CG PHE A 21 2.014 8.034 -2.346 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.244 6.663 -2.156 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.062 8.584 -3.644 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.571 5.852 -3.252 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.341 7.759 -4.749 1.00 0.00 C ATOM 318 CZ PHE A 21 2.618 6.400 -4.546 1.00 0.00 C ATOM 0 H PHE A 21 1.583 10.431 0.688 1.00 0.00 H new ATOM 0 HA PHE A 21 3.420 8.483 0.151 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.072 8.389 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.217 9.811 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.169 6.233 -1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.884 9.639 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.787 4.805 -3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.342 8.170 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.869 5.771 -5.387 1.00 0.00 H new ATOM 328 N GLY A 22 3.964 11.067 -1.845 1.00 0.00 N ATOM 329 CA GLY A 22 4.972 11.635 -2.741 1.00 0.00 C ATOM 330 C GLY A 22 6.305 12.039 -2.094 1.00 0.00 C ATOM 331 O GLY A 22 7.177 12.511 -2.819 1.00 0.00 O ATOM 0 H GLY A 22 3.168 11.679 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.179 10.909 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.545 12.514 -3.223 1.00 0.00 H new ATOM 335 N ARG A 23 6.462 11.919 -0.773 1.00 0.00 N ATOM 336 CA ARG A 23 7.683 12.207 -0.019 1.00 0.00 C ATOM 337 C ARG A 23 7.683 11.235 1.163 1.00 0.00 C ATOM 338 O ARG A 23 7.546 11.616 2.329 1.00 0.00 O ATOM 339 CB ARG A 23 7.714 13.702 0.368 1.00 0.00 C ATOM 340 CG ARG A 23 8.908 14.121 1.250 1.00 0.00 C ATOM 341 CD ARG A 23 9.764 15.242 0.637 1.00 0.00 C ATOM 342 NE ARG A 23 10.769 15.734 1.595 1.00 0.00 N ATOM 343 CZ ARG A 23 11.789 16.567 1.355 1.00 0.00 C ATOM 344 NH1 ARG A 23 11.991 17.073 0.144 1.00 0.00 N ATOM 345 NH2 ARG A 23 12.617 16.871 2.340 1.00 0.00 N ATOM 0 H ARG A 23 5.702 11.602 -0.171 1.00 0.00 H new ATOM 0 HA ARG A 23 8.599 12.054 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.729 14.298 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.790 13.945 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.535 14.450 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.539 13.251 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.263 14.873 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.121 16.065 0.327 1.00 0.00 H new ATOM 0 HE ARG A 23 10.677 15.401 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.364 16.828 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.774 17.706 -0.020 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.474 16.472 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.399 17.504 2.172 1.00 0.00 H new ATOM 359 N ALA A 24 7.747 9.954 0.822 1.00 0.00 N ATOM 360 CA ALA A 24 7.637 8.811 1.714 1.00 0.00 C ATOM 361 C ALA A 24 9.000 8.113 1.771 1.00 0.00 C ATOM 362 O ALA A 24 9.496 7.780 0.703 1.00 0.00 O ATOM 363 CB ALA A 24 6.570 7.880 1.117 1.00 0.00 C ATOM 0 H ALA A 24 7.886 9.670 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 24 7.353 9.100 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.453 7.004 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.620 8.411 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.879 7.564 0.121 1.00 0.00 H new ATOM 369 N PRO A 25 9.646 7.895 2.932 1.00 0.00 N ATOM 370 CA PRO A 25 10.934 7.197 2.984 1.00 0.00 C ATOM 371 C PRO A 25 10.847 5.694 2.693 1.00 0.00 C ATOM 372 O PRO A 25 11.829 5.105 2.246 1.00 0.00 O ATOM 373 CB PRO A 25 11.513 7.481 4.367 1.00 0.00 C ATOM 374 CG PRO A 25 10.296 7.802 5.222 1.00 0.00 C ATOM 375 CD PRO A 25 9.283 8.390 4.248 1.00 0.00 C ATOM 0 HA PRO A 25 11.582 7.568 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.057 6.620 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.214 8.316 4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.906 6.907 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.543 8.511 6.012 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.270 8.087 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.307 9.479 4.273 1.00 0.00 H new ATOM 383 N TYR A 26 9.686 5.065 2.896 1.00 0.00 N ATOM 384 CA TYR A 26 9.525 3.622 2.781 1.00 0.00 C ATOM 385 C TYR A 26 8.101 3.314 2.301 1.00 0.00 C ATOM 386 O TYR A 26 7.169 4.063 2.612 1.00 0.00 O ATOM 387 CB TYR A 26 9.770 3.006 4.168 1.00 0.00 C ATOM 388 CG TYR A 26 11.106 3.322 4.832 1.00 0.00 C ATOM 389 CD1 TYR A 26 12.272 2.655 4.423 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.190 4.286 5.856 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.511 2.933 5.027 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.424 4.578 6.466 1.00 0.00 C ATOM 393 CZ TYR A 26 13.591 3.898 6.055 1.00 0.00 C ATOM 394 OH TYR A 26 14.794 4.172 6.629 1.00 0.00 O ATOM 0 H TYR A 26 8.826 5.553 3.147 1.00 0.00 H new ATOM 0 HA TYR A 26 10.232 3.204 2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.973 3.338 4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.682 1.923 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 26 12.216 1.919 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.299 4.806 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.399 2.410 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.478 5.321 7.248 1.00 0.00 H new ATOM 0 HH TYR A 26 14.679 4.859 7.318 1.00 0.00 H new ATOM 404 N PHE A 27 7.912 2.193 1.600 1.00 0.00 N ATOM 405 CA PHE A 27 6.611 1.679 1.169 1.00 0.00 C ATOM 406 C PHE A 27 6.455 0.273 1.740 1.00 0.00 C ATOM 407 O PHE A 27 7.099 -0.661 1.267 1.00 0.00 O ATOM 408 CB PHE A 27 6.453 1.694 -0.371 1.00 0.00 C ATOM 409 CG PHE A 27 6.259 3.055 -1.024 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.330 3.971 -0.500 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.925 3.375 -2.220 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.111 5.195 -1.147 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.639 4.564 -2.918 1.00 0.00 C ATOM 414 CZ PHE A 27 5.743 5.487 -2.358 1.00 0.00 C ATOM 0 H PHE A 27 8.688 1.599 1.307 1.00 0.00 H new ATOM 0 HA PHE A 27 5.820 2.327 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.337 1.229 -0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.601 1.067 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.785 3.732 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.669 2.697 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.446 5.921 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.104 4.763 -3.872 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.542 6.421 -2.862 1.00 0.00 H new ATOM 424 N ALA A 28 5.612 0.123 2.763 1.00 0.00 N ATOM 425 CA ALA A 28 5.174 -1.158 3.290 1.00 0.00 C ATOM 426 C ALA A 28 4.064 -1.676 2.396 1.00 0.00 C ATOM 427 O ALA A 28 2.885 -1.492 2.692 1.00 0.00 O ATOM 428 CB ALA A 28 4.704 -0.990 4.741 1.00 0.00 C ATOM 0 H ALA A 28 5.207 0.917 3.258 1.00 0.00 H new ATOM 0 HA ALA A 28 5.992 -1.879 3.297 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.377 -1.954 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.527 -0.613 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.874 -0.284 4.775 1.00 0.00 H new ATOM 434 N PHE A 29 4.432 -2.286 1.271 1.00 0.00 N ATOM 435 CA PHE A 29 3.491 -3.140 0.570 1.00 0.00 C ATOM 436 C PHE A 29 3.311 -4.389 1.442 1.00 0.00 C ATOM 437 O PHE A 29 4.264 -4.870 2.053 1.00 0.00 O ATOM 438 CB PHE A 29 3.982 -3.441 -0.857 1.00 0.00 C ATOM 439 CG PHE A 29 3.428 -2.522 -1.953 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.032 -2.342 -2.094 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.288 -1.882 -2.876 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.512 -1.484 -3.075 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.748 -1.092 -3.918 1.00 0.00 C ATOM 444 CZ PHE A 29 2.368 -0.851 -3.985 1.00 0.00 C ATOM 0 H PHE A 29 5.352 -2.205 0.838 1.00 0.00 H new ATOM 0 HA PHE A 29 2.523 -2.660 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.070 -3.377 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.720 -4.470 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.357 -2.872 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.358 -1.997 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.447 -1.311 -3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.403 -0.672 -4.667 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.968 -0.182 -4.733 1.00 0.00 H new ATOM 454 N VAL A 30 2.091 -4.902 1.529 1.00 0.00 N ATOM 455 CA VAL A 30 1.716 -6.106 2.267 1.00 0.00 C ATOM 456 C VAL A 30 0.757 -6.869 1.365 1.00 0.00 C ATOM 457 O VAL A 30 0.100 -6.270 0.514 1.00 0.00 O ATOM 458 CB VAL A 30 1.097 -5.715 3.633 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.621 -6.911 4.473 1.00 0.00 C ATOM 460 CG2 VAL A 30 2.125 -4.940 4.483 1.00 0.00 C ATOM 0 H VAL A 30 1.293 -4.469 1.064 1.00 0.00 H new ATOM 0 HA VAL A 30 2.569 -6.741 2.506 1.00 0.00 H new ATOM 0 HB VAL A 30 0.227 -5.107 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.201 -6.552 5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.141 -7.462 3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.465 -7.569 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.677 -4.671 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.001 -5.566 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.424 -4.034 3.956 1.00 0.00 H new ATOM 470 N LYS A 31 0.728 -8.190 1.475 1.00 0.00 N ATOM 471 CA LYS A 31 -0.047 -9.050 0.593 1.00 0.00 C ATOM 472 C LYS A 31 -1.387 -9.386 1.254 1.00 0.00 C ATOM 473 O LYS A 31 -1.760 -8.754 2.248 1.00 0.00 O ATOM 474 CB LYS A 31 0.852 -10.243 0.225 1.00 0.00 C ATOM 475 CG LYS A 31 2.007 -9.777 -0.677 1.00 0.00 C ATOM 476 CD LYS A 31 2.559 -10.927 -1.528 1.00 0.00 C ATOM 477 CE LYS A 31 3.384 -10.376 -2.695 1.00 0.00 C ATOM 478 NZ LYS A 31 3.850 -11.463 -3.580 1.00 0.00 N ATOM 0 H LYS A 31 1.249 -8.700 2.188 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.331 -8.575 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.250 -10.701 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.265 -11.006 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.659 -8.976 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.806 -9.363 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.178 -11.580 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.737 -11.533 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.783 -9.670 -3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.242 -9.825 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.406 -11.060 -4.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.443 -12.123 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.029 -11.973 -3.966 1.00 0.00 H new ATOM 492 N VAL A 32 -2.150 -10.327 0.695 1.00 0.00 N ATOM 493 CA VAL A 32 -3.280 -10.929 1.389 1.00 0.00 C ATOM 494 C VAL A 32 -3.476 -12.374 0.921 1.00 0.00 C ATOM 495 O VAL A 32 -3.767 -12.622 -0.250 1.00 0.00 O ATOM 496 CB VAL A 32 -4.536 -10.032 1.270 1.00 0.00 C ATOM 497 CG1 VAL A 32 -4.992 -9.742 -0.169 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.714 -10.582 2.085 1.00 0.00 C ATOM 0 H VAL A 32 -2.000 -10.689 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.077 -10.990 2.458 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.214 -9.078 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.878 -9.107 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.193 -9.234 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.229 -10.680 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.574 -9.922 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.972 -11.578 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.434 -10.638 3.137 1.00 0.00 H new ATOM 508 N LYS A 33 -3.300 -13.354 1.809 1.00 0.00 N ATOM 509 CA LYS A 33 -3.676 -14.746 1.603 1.00 0.00 C ATOM 510 C LYS A 33 -5.155 -14.839 1.908 1.00 0.00 C ATOM 511 O LYS A 33 -5.516 -15.091 3.055 1.00 0.00 O ATOM 512 CB LYS A 33 -2.896 -15.682 2.547 1.00 0.00 C ATOM 513 CG LYS A 33 -3.176 -17.180 2.274 1.00 0.00 C ATOM 514 CD LYS A 33 -3.833 -17.950 3.441 1.00 0.00 C ATOM 515 CE LYS A 33 -5.341 -18.218 3.275 1.00 0.00 C ATOM 516 NZ LYS A 33 -5.625 -19.246 2.249 1.00 0.00 N ATOM 0 H LYS A 33 -2.876 -13.190 2.722 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.448 -15.053 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.828 -15.491 2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.159 -15.450 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.821 -17.259 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.235 -17.669 2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.320 -18.904 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.678 -17.387 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.757 -18.538 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.844 -17.290 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.653 -19.389 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.253 -18.931 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.169 -20.141 2.519 1.00 0.00 H new ATOM 530 N ASN A 34 -6.011 -14.684 0.905 1.00 0.00 N ATOM 531 CA ASN A 34 -7.459 -14.848 0.999 1.00 0.00 C ATOM 532 C ASN A 34 -8.119 -13.784 1.887 1.00 0.00 C ATOM 533 O ASN A 34 -8.825 -12.928 1.364 1.00 0.00 O ATOM 534 CB ASN A 34 -7.817 -16.299 1.358 1.00 0.00 C ATOM 535 CG ASN A 34 -8.904 -16.833 0.442 1.00 0.00 C ATOM 536 OD1 ASN A 34 -10.090 -16.602 0.629 1.00 0.00 O ATOM 537 ND2 ASN A 34 -8.494 -17.544 -0.593 1.00 0.00 N ATOM 0 H ASN A 34 -5.704 -14.430 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.891 -14.666 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.929 -16.927 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.152 -16.349 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.173 -17.914 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.499 -17.723 -0.727 1.00 0.00 H new ATOM 544 N ASN A 35 -7.860 -13.796 3.199 1.00 0.00 N ATOM 545 CA ASN A 35 -8.247 -12.766 4.165 1.00 0.00 C ATOM 546 C ASN A 35 -7.208 -12.582 5.281 1.00 0.00 C ATOM 547 O ASN A 35 -7.533 -12.009 6.317 1.00 0.00 O ATOM 548 CB ASN A 35 -9.596 -13.137 4.795 1.00 0.00 C ATOM 549 CG ASN A 35 -10.451 -11.923 5.135 1.00 0.00 C ATOM 550 OD1 ASN A 35 -10.539 -10.975 4.359 1.00 0.00 O ATOM 551 ND2 ASN A 35 -11.197 -11.974 6.223 1.00 0.00 N ATOM 0 H ASN A 35 -7.349 -14.563 3.636 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.317 -11.824 3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.146 -13.781 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.420 -13.715 5.702 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.855 -11.221 6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.116 -12.766 6.860 1.00 0.00 H new ATOM 558 N ALA A 36 -6.003 -13.140 5.140 1.00 0.00 N ATOM 559 CA ALA A 36 -4.899 -13.035 6.094 1.00 0.00 C ATOM 560 C ALA A 36 -3.705 -12.346 5.418 1.00 0.00 C ATOM 561 O ALA A 36 -3.755 -12.170 4.207 1.00 0.00 O ATOM 562 CB ALA A 36 -4.506 -14.441 6.543 1.00 0.00 C ATOM 0 H ALA A 36 -5.761 -13.701 4.323 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.203 -12.446 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.683 -14.379 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.361 -14.924 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.193 -15.025 5.678 1.00 0.00 H new ATOM 568 N ILE A 37 -2.615 -12.011 6.117 1.00 0.00 N ATOM 569 CA ILE A 37 -1.564 -11.116 5.620 1.00 0.00 C ATOM 570 C ILE A 37 -0.860 -11.615 4.358 1.00 0.00 C ATOM 571 O ILE A 37 -0.360 -10.790 3.602 1.00 0.00 O ATOM 572 CB ILE A 37 -0.577 -10.761 6.778 1.00 0.00 C ATOM 573 CG1 ILE A 37 -0.868 -9.350 7.329 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.921 -10.799 6.415 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.197 -9.255 8.075 1.00 0.00 C ATOM 0 H ILE A 37 -2.435 -12.360 7.059 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.051 -10.198 5.291 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.756 -11.547 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.061 -9.056 8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.871 -8.639 6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.514 -10.537 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.189 -11.802 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.120 -10.086 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.340 -8.237 8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.012 -9.518 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.189 -9.942 8.921 1.00 0.00 H new ATOM 587 N ALA A 38 -0.813 -12.923 4.084 1.00 0.00 N ATOM 588 CA ALA A 38 0.167 -13.555 3.193 1.00 0.00 C ATOM 589 C ALA A 38 1.618 -13.224 3.567 1.00 0.00 C ATOM 590 O ALA A 38 2.347 -14.133 3.969 1.00 0.00 O ATOM 591 CB ALA A 38 -0.101 -13.253 1.711 1.00 0.00 C ATOM 0 H ALA A 38 -1.473 -13.589 4.486 1.00 0.00 H new ATOM 0 HA ALA A 38 0.036 -14.627 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.654 -13.745 1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.089 -13.623 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.058 -12.177 1.545 1.00 0.00 H new ATOM 597 N ASP A 39 2.064 -11.983 3.391 1.00 0.00 N ATOM 598 CA ASP A 39 3.436 -11.561 3.657 1.00 0.00 C ATOM 599 C ASP A 39 3.572 -10.039 3.693 1.00 0.00 C ATOM 600 O ASP A 39 2.651 -9.324 3.295 1.00 0.00 O ATOM 601 CB ASP A 39 4.394 -12.113 2.586 1.00 0.00 C ATOM 602 CG ASP A 39 5.806 -12.357 3.134 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.060 -12.131 4.341 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.674 -12.776 2.335 1.00 0.00 O ATOM 0 H ASP A 39 1.469 -11.227 3.052 1.00 0.00 H new ATOM 0 HA ASP A 39 3.698 -11.960 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.994 -13.047 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.447 -11.412 1.753 1.00 0.00 H new ATOM 609 N ILE A 40 4.739 -9.555 4.113 1.00 0.00 N ATOM 610 CA ILE A 40 5.111 -8.158 4.300 1.00 0.00 C ATOM 611 C ILE A 40 6.249 -7.865 3.290 1.00 0.00 C ATOM 612 O ILE A 40 7.072 -8.746 3.014 1.00 0.00 O ATOM 613 CB ILE A 40 5.542 -8.005 5.788 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.437 -8.290 6.846 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.221 -6.663 6.076 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.454 -7.154 7.183 1.00 0.00 C ATOM 0 H ILE A 40 5.509 -10.181 4.350 1.00 0.00 H new ATOM 0 HA ILE A 40 4.308 -7.445 4.113 1.00 0.00 H new ATOM 0 HB ILE A 40 6.273 -8.805 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.855 -9.144 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.929 -8.592 7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.499 -6.614 7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.115 -6.568 5.460 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.533 -5.850 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.743 -7.499 7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.006 -6.298 7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.916 -6.859 6.282 1.00 0.00 H new ATOM 628 N SER A 41 6.309 -6.650 2.731 1.00 0.00 N ATOM 629 CA SER A 41 7.260 -6.164 1.741 1.00 0.00 C ATOM 630 C SER A 41 7.521 -4.664 1.961 1.00 0.00 C ATOM 631 O SER A 41 7.125 -3.819 1.150 1.00 0.00 O ATOM 632 CB SER A 41 6.651 -6.440 0.360 1.00 0.00 C ATOM 633 OG SER A 41 6.715 -7.813 0.021 1.00 0.00 O ATOM 0 H SER A 41 5.635 -5.927 2.985 1.00 0.00 H new ATOM 0 HA SER A 41 8.222 -6.669 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.612 -6.111 0.349 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.179 -5.855 -0.393 1.00 0.00 H new ATOM 0 HG SER A 41 6.316 -7.950 -0.864 1.00 0.00 H new ATOM 639 N VAL A 42 8.183 -4.320 3.072 1.00 0.00 N ATOM 640 CA VAL A 42 8.565 -2.944 3.386 1.00 0.00 C ATOM 641 C VAL A 42 9.939 -2.688 2.774 1.00 0.00 C ATOM 642 O VAL A 42 10.967 -2.982 3.385 1.00 0.00 O ATOM 643 CB VAL A 42 8.487 -2.642 4.904 1.00 0.00 C ATOM 644 CG1 VAL A 42 8.430 -1.136 5.194 1.00 0.00 C ATOM 645 CG2 VAL A 42 7.307 -3.333 5.601 1.00 0.00 C ATOM 0 H VAL A 42 8.469 -4.995 3.781 1.00 0.00 H new ATOM 0 HA VAL A 42 7.853 -2.245 2.947 1.00 0.00 H new ATOM 0 HB VAL A 42 9.409 -3.052 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.376 -0.975 6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.325 -0.655 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.548 -0.707 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.311 -3.079 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.372 -2.998 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.398 -4.413 5.486 1.00 0.00 H new ATOM 655 N GLU A 43 9.958 -2.152 1.558 1.00 0.00 N ATOM 656 CA GLU A 43 11.169 -1.769 0.827 1.00 0.00 C ATOM 657 C GLU A 43 11.447 -0.271 1.020 1.00 0.00 C ATOM 658 O GLU A 43 10.558 0.481 1.444 1.00 0.00 O ATOM 659 CB GLU A 43 10.986 -2.097 -0.662 1.00 0.00 C ATOM 660 CG GLU A 43 10.683 -3.576 -0.936 1.00 0.00 C ATOM 661 CD GLU A 43 11.858 -4.484 -0.584 1.00 0.00 C ATOM 662 OE1 GLU A 43 12.713 -4.715 -1.467 1.00 0.00 O ATOM 663 OE2 GLU A 43 11.884 -5.073 0.521 1.00 0.00 O ATOM 0 H GLU A 43 9.104 -1.964 1.033 1.00 0.00 H new ATOM 0 HA GLU A 43 12.022 -2.327 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.174 -1.489 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.891 -1.815 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.808 -3.878 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.431 -3.704 -1.989 1.00 0.00 H new ATOM 670 N GLU A 44 12.670 0.181 0.749 1.00 0.00 N ATOM 671 CA GLU A 44 13.083 1.582 0.765 1.00 0.00 C ATOM 672 C GLU A 44 12.476 2.307 -0.420 1.00 0.00 C ATOM 673 O GLU A 44 12.268 1.702 -1.477 1.00 0.00 O ATOM 674 CB GLU A 44 14.603 1.676 0.626 1.00 0.00 C ATOM 675 CG GLU A 44 15.340 1.118 1.842 1.00 0.00 C ATOM 676 CD GLU A 44 16.778 0.772 1.470 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.970 -0.227 0.728 1.00 0.00 O ATOM 678 OE2 GLU A 44 17.706 1.472 1.926 1.00 0.00 O ATOM 0 H GLU A 44 13.434 -0.448 0.501 1.00 0.00 H new ATOM 0 HA GLU A 44 12.753 2.028 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.917 1.133 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.887 2.718 0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.331 1.850 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.828 0.230 2.211 1.00 0.00 H new ATOM 685 N ASN A 45 12.200 3.598 -0.269 1.00 0.00 N ATOM 686 CA ASN A 45 11.745 4.390 -1.400 1.00 0.00 C ATOM 687 C ASN A 45 12.955 4.804 -2.230 1.00 0.00 C ATOM 688 O ASN A 45 13.881 5.390 -1.661 1.00 0.00 O ATOM 689 CB ASN A 45 11.024 5.651 -0.940 1.00 0.00 C ATOM 690 CG ASN A 45 9.857 5.964 -1.843 1.00 0.00 C ATOM 691 OD1 ASN A 45 10.010 6.258 -3.026 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.669 5.850 -1.287 1.00 0.00 N ATOM 0 H ASN A 45 12.282 4.109 0.610 1.00 0.00 H new ATOM 0 HA ASN A 45 11.053 3.784 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.672 5.521 0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.719 6.490 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.828 6.008 -1.843 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.589 5.604 -0.300 1.00 0.00 H new ATOM 699 N PRO A 46 12.957 4.602 -3.553 1.00 0.00 N ATOM 700 CA PRO A 46 13.974 5.199 -4.404 1.00 0.00 C ATOM 701 C PRO A 46 13.798 6.728 -4.505 1.00 0.00 C ATOM 702 O PRO A 46 14.775 7.458 -4.664 1.00 0.00 O ATOM 703 CB PRO A 46 13.820 4.477 -5.744 1.00 0.00 C ATOM 704 CG PRO A 46 12.356 4.038 -5.783 1.00 0.00 C ATOM 705 CD PRO A 46 12.013 3.800 -4.316 1.00 0.00 C ATOM 0 HA PRO A 46 14.983 5.079 -4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.058 5.136 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.492 3.621 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.719 4.805 -6.224 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.224 3.134 -6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.986 4.096 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.101 2.744 -4.060 1.00 0.00 H new ATOM 713 N LEU A 47 12.574 7.253 -4.346 1.00 0.00 N ATOM 714 CA LEU A 47 12.245 8.662 -4.555 1.00 0.00 C ATOM 715 C LEU A 47 11.555 9.217 -3.303 1.00 0.00 C ATOM 716 O LEU A 47 10.582 9.968 -3.397 1.00 0.00 O ATOM 717 CB LEU A 47 11.339 8.864 -5.787 1.00 0.00 C ATOM 718 CG LEU A 47 11.830 8.669 -7.230 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.205 9.289 -7.459 1.00 0.00 C ATOM 720 CD2 LEU A 47 11.790 7.229 -7.726 1.00 0.00 C ATOM 0 H LEU A 47 11.770 6.693 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 47 13.174 9.201 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.488 8.196 -5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.957 9.883 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 47 11.103 9.208 -7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.510 9.126 -8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.159 10.359 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.929 8.825 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.154 7.188 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.422 6.608 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.765 6.860 -7.689 1.00 0.00 H new ATOM 732 N ALA A 48 12.077 8.939 -2.116 1.00 0.00 N ATOM 733 CA ALA A 48 11.638 9.636 -0.917 1.00 0.00 C ATOM 734 C ALA A 48 11.861 11.137 -1.058 1.00 0.00 C ATOM 735 O ALA A 48 10.952 11.931 -0.806 1.00 0.00 O ATOM 736 CB ALA A 48 12.437 9.113 0.274 1.00 0.00 C ATOM 0 H ALA A 48 12.802 8.239 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 48 10.573 9.457 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.118 9.627 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.266 8.042 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.499 9.295 0.108 1.00 0.00 H new ATOM 830 N ALA A 55 8.235 10.396 -10.293 1.00 0.00 N ATOM 831 CA ALA A 55 8.750 9.026 -10.379 1.00 0.00 C ATOM 832 C ALA A 55 8.497 8.087 -9.187 1.00 0.00 C ATOM 833 O ALA A 55 8.622 6.876 -9.368 1.00 0.00 O ATOM 834 CB ALA A 55 10.216 9.034 -10.817 1.00 0.00 C ATOM 0 HA ALA A 55 8.129 8.564 -11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.584 8.010 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.301 9.507 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.809 9.591 -10.092 1.00 0.00 H new ATOM 840 N VAL A 56 8.047 8.574 -8.027 1.00 0.00 N ATOM 841 CA VAL A 56 7.639 7.772 -6.876 1.00 0.00 C ATOM 842 C VAL A 56 6.626 6.704 -7.334 1.00 0.00 C ATOM 843 O VAL A 56 6.849 5.522 -7.075 1.00 0.00 O ATOM 844 CB VAL A 56 7.024 8.680 -5.772 1.00 0.00 C ATOM 845 CG1 VAL A 56 5.918 7.996 -4.962 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.064 9.266 -4.833 1.00 0.00 C ATOM 0 H VAL A 56 7.954 9.576 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 56 8.512 7.276 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 56 6.569 9.499 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.536 8.688 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.108 7.701 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.322 7.112 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.571 9.889 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.600 8.459 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.769 9.872 -5.403 1.00 0.00 H new ATOM 856 N PRO A 57 5.500 7.068 -7.992 1.00 0.00 N ATOM 857 CA PRO A 57 4.496 6.082 -8.347 1.00 0.00 C ATOM 858 C PRO A 57 5.031 5.144 -9.419 1.00 0.00 C ATOM 859 O PRO A 57 4.498 4.054 -9.538 1.00 0.00 O ATOM 860 CB PRO A 57 3.287 6.848 -8.894 1.00 0.00 C ATOM 861 CG PRO A 57 3.680 8.320 -8.912 1.00 0.00 C ATOM 862 CD PRO A 57 5.165 8.356 -8.586 1.00 0.00 C ATOM 0 HA PRO A 57 4.225 5.483 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.030 6.503 -9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.410 6.688 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.483 8.766 -9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.105 8.887 -8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.754 8.531 -9.487 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.389 9.169 -7.896 1.00 0.00 H new ATOM 870 N ASN A 58 6.038 5.541 -10.206 1.00 0.00 N ATOM 871 CA ASN A 58 6.531 4.695 -11.280 1.00 0.00 C ATOM 872 C ASN A 58 7.172 3.434 -10.714 1.00 0.00 C ATOM 873 O ASN A 58 6.967 2.359 -11.269 1.00 0.00 O ATOM 874 CB ASN A 58 7.494 5.446 -12.201 1.00 0.00 C ATOM 875 CG ASN A 58 7.432 4.795 -13.568 1.00 0.00 C ATOM 876 OD1 ASN A 58 6.470 5.030 -14.292 1.00 0.00 O ATOM 877 ND2 ASN A 58 8.376 3.957 -13.939 1.00 0.00 N ATOM 0 H ASN A 58 6.519 6.436 -10.115 1.00 0.00 H new ATOM 0 HA ASN A 58 5.677 4.400 -11.890 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.217 6.498 -12.266 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.509 5.407 -11.805 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.316 3.489 -14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.168 3.775 -13.322 1.00 0.00 H new ATOM 884 N PHE A 59 7.867 3.563 -9.580 1.00 0.00 N ATOM 885 CA PHE A 59 8.384 2.436 -8.824 1.00 0.00 C ATOM 886 C PHE A 59 7.223 1.562 -8.360 1.00 0.00 C ATOM 887 O PHE A 59 7.143 0.409 -8.753 1.00 0.00 O ATOM 888 CB PHE A 59 9.245 2.927 -7.651 1.00 0.00 C ATOM 889 CG PHE A 59 9.467 1.870 -6.588 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.164 0.688 -6.904 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.915 2.039 -5.303 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.328 -0.321 -5.940 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.088 1.024 -4.343 1.00 0.00 C ATOM 894 CZ PHE A 59 9.796 -0.145 -4.652 1.00 0.00 C ATOM 0 H PHE A 59 8.085 4.468 -9.162 1.00 0.00 H new ATOM 0 HA PHE A 59 9.030 1.829 -9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.211 3.258 -8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.767 3.795 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.575 0.556 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.366 2.936 -5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.860 -1.227 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.669 1.148 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.932 -0.909 -3.901 1.00 0.00 H new ATOM 904 N VAL A 60 6.295 2.068 -7.544 1.00 0.00 N ATOM 905 CA VAL A 60 5.247 1.197 -6.995 1.00 0.00 C ATOM 906 C VAL A 60 4.291 0.636 -8.059 1.00 0.00 C ATOM 907 O VAL A 60 3.788 -0.470 -7.893 1.00 0.00 O ATOM 908 CB VAL A 60 4.492 1.878 -5.849 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.329 1.848 -4.561 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.138 3.338 -6.098 1.00 0.00 C ATOM 0 H VAL A 60 6.244 3.045 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 60 5.765 0.330 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 60 3.566 1.309 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.778 2.336 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.534 0.814 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.270 2.373 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.606 3.736 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.051 3.912 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.503 3.413 -6.981 1.00 0.00 H new ATOM 920 N LYS A 61 4.092 1.339 -9.175 1.00 0.00 N ATOM 921 CA LYS A 61 3.414 0.820 -10.365 1.00 0.00 C ATOM 922 C LYS A 61 4.148 -0.390 -10.940 1.00 0.00 C ATOM 923 O LYS A 61 3.513 -1.177 -11.634 1.00 0.00 O ATOM 924 CB LYS A 61 3.235 1.879 -11.468 1.00 0.00 C ATOM 925 CG LYS A 61 2.031 2.832 -11.340 1.00 0.00 C ATOM 926 CD LYS A 61 1.684 3.450 -12.704 1.00 0.00 C ATOM 927 CE LYS A 61 2.826 4.261 -13.340 1.00 0.00 C ATOM 928 NZ LYS A 61 2.471 4.761 -14.688 1.00 0.00 N ATOM 0 H LYS A 61 4.404 2.305 -9.280 1.00 0.00 H new ATOM 0 HA LYS A 61 2.422 0.520 -10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.141 2.483 -11.507 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.156 1.361 -12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.170 2.289 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.260 3.622 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.396 2.652 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.816 4.098 -12.586 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.074 5.104 -12.695 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.718 3.638 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.269 5.302 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.259 3.956 -15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.635 5.377 -14.621 1.00 0.00 H new ATOM 942 N GLU A 62 5.438 -0.591 -10.687 1.00 0.00 N ATOM 943 CA GLU A 62 6.144 -1.806 -11.075 1.00 0.00 C ATOM 944 C GLU A 62 5.811 -2.978 -10.128 1.00 0.00 C ATOM 945 O GLU A 62 6.059 -4.129 -10.493 1.00 0.00 O ATOM 946 CB GLU A 62 7.667 -1.528 -11.202 1.00 0.00 C ATOM 947 CG GLU A 62 8.544 -2.139 -10.095 1.00 0.00 C ATOM 948 CD GLU A 62 10.041 -1.898 -10.283 1.00 0.00 C ATOM 949 OE1 GLU A 62 10.533 -0.778 -10.044 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.749 -2.898 -10.581 1.00 0.00 O ATOM 0 H GLU A 62 6.025 0.089 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 62 5.798 -2.118 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.009 -1.908 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.823 -0.449 -11.211 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.238 -1.726 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.362 -3.213 -10.053 1.00 0.00 H new ATOM 957 N LYS A 63 5.284 -2.740 -8.915 1.00 0.00 N ATOM 958 CA LYS A 63 5.254 -3.759 -7.856 1.00 0.00 C ATOM 959 C LYS A 63 3.928 -4.520 -7.824 1.00 0.00 C ATOM 960 O LYS A 63 3.521 -4.989 -6.757 1.00 0.00 O ATOM 961 CB LYS A 63 5.510 -3.084 -6.485 1.00 0.00 C ATOM 962 CG LYS A 63 6.805 -2.265 -6.386 1.00 0.00 C ATOM 963 CD LYS A 63 8.075 -3.117 -6.468 1.00 0.00 C ATOM 964 CE LYS A 63 8.490 -3.651 -5.091 1.00 0.00 C ATOM 965 NZ LYS A 63 9.583 -4.641 -5.196 1.00 0.00 N ATOM 0 H LYS A 63 4.872 -1.847 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 63 6.038 -4.485 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.668 -2.430 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.529 -3.857 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.820 -1.526 -7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.806 -1.715 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.909 -3.953 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.886 -2.522 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.809 -2.822 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.629 -4.109 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.837 -4.980 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.269 -5.444 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.413 -4.197 -5.638 1.00 0.00 H new ATOM 979 N GLY A 64 3.337 -4.799 -8.986 1.00 0.00 N ATOM 980 CA GLY A 64 2.130 -5.614 -9.142 1.00 0.00 C ATOM 981 C GLY A 64 0.981 -5.279 -8.179 1.00 0.00 C ATOM 982 O GLY A 64 0.214 -6.179 -7.819 1.00 0.00 O ATOM 0 H GLY A 64 3.697 -4.452 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.768 -5.505 -10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.400 -6.662 -9.009 1.00 0.00 H new ATOM 986 N ALA A 65 0.894 -4.042 -7.674 1.00 0.00 N ATOM 987 CA ALA A 65 -0.011 -3.720 -6.585 1.00 0.00 C ATOM 988 C ALA A 65 -1.465 -3.631 -7.043 1.00 0.00 C ATOM 989 O ALA A 65 -1.755 -3.674 -8.240 1.00 0.00 O ATOM 990 CB ALA A 65 0.440 -2.428 -5.932 1.00 0.00 C ATOM 0 H ALA A 65 1.445 -3.252 -8.009 1.00 0.00 H new ATOM 0 HA ALA A 65 0.026 -4.530 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.235 -2.179 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.451 -2.550 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.428 -1.625 -6.669 1.00 0.00 H new ATOM 996 N GLU A 66 -2.385 -3.507 -6.080 1.00 0.00 N ATOM 997 CA GLU A 66 -3.830 -3.503 -6.318 1.00 0.00 C ATOM 998 C GLU A 66 -4.582 -2.555 -5.393 1.00 0.00 C ATOM 999 O GLU A 66 -5.616 -2.028 -5.799 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.371 -4.927 -6.182 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.169 -5.648 -7.514 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.784 -7.033 -7.508 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -6.029 -7.126 -7.521 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -4.029 -8.034 -7.487 1.00 0.00 O ATOM 0 H GLU A 66 -2.140 -3.405 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.994 -3.136 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.852 -5.455 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.428 -4.908 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.612 -5.058 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.103 -5.726 -7.726 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.068 -2.311 -4.186 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.689 -1.434 -3.209 1.00 0.00 C ATOM 1013 C LEU A 67 -3.590 -0.613 -2.535 1.00 0.00 C ATOM 1014 O LEU A 67 -2.424 -1.020 -2.487 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.517 -2.322 -2.250 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.467 -1.686 -1.212 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -5.798 -1.354 0.117 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -7.258 -0.488 -1.724 1.00 0.00 C ATOM 0 H LEU A 67 -3.195 -2.727 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.378 -0.712 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.117 -2.989 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.812 -2.945 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.188 -2.483 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.530 -0.911 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.399 -2.266 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.985 -0.647 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.898 -0.107 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.569 0.294 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.874 -0.793 -2.570 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.942 0.558 -2.022 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.039 1.520 -1.405 1.00 0.00 C ATOM 1032 C VAL A 68 -3.817 2.155 -0.256 1.00 0.00 C ATOM 1033 O VAL A 68 -5.017 2.389 -0.391 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.611 2.595 -2.434 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.343 3.344 -2.003 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.349 2.052 -3.843 1.00 0.00 C ATOM 0 H VAL A 68 -4.910 0.878 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.128 1.040 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.471 3.264 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.085 4.087 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.521 3.842 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.521 2.636 -1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.055 2.871 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.550 1.312 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.256 1.586 -4.228 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.150 2.449 0.855 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.712 3.073 2.038 1.00 0.00 C ATOM 1048 C ILE A 69 -2.738 4.182 2.429 1.00 0.00 C ATOM 1049 O ILE A 69 -1.576 3.916 2.728 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.905 2.041 3.164 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -4.863 0.891 2.784 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.424 2.785 4.396 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -4.840 -0.287 3.768 1.00 0.00 C ATOM 0 H ILE A 69 -2.155 2.247 0.955 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.703 3.485 1.849 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.944 1.566 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.879 1.282 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.602 0.527 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.571 2.078 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.699 3.541 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.373 3.266 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.538 -1.054 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.834 -0.706 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.131 0.061 4.759 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.182 5.433 2.372 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.349 6.613 2.562 1.00 0.00 C ATOM 1067 C VAL A 70 -3.068 7.632 3.452 1.00 0.00 C ATOM 1068 O VAL A 70 -4.228 7.447 3.823 1.00 0.00 O ATOM 1069 CB VAL A 70 -1.948 7.188 1.183 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.330 6.134 0.254 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.130 7.803 0.428 1.00 0.00 C ATOM 0 H VAL A 70 -4.159 5.659 2.187 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.429 6.346 3.081 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.213 7.956 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.069 6.596 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.432 5.723 0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.049 5.333 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.787 8.190 -0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.891 7.041 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.554 8.617 1.016 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.380 8.726 3.788 1.00 0.00 N ATOM 1082 CA ARG A 71 -2.938 9.863 4.505 1.00 0.00 C ATOM 1083 C ARG A 71 -3.327 10.913 3.450 1.00 0.00 C ATOM 1084 O ARG A 71 -4.344 10.708 2.793 1.00 0.00 O ATOM 1085 CB ARG A 71 -1.973 10.270 5.645 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.657 11.004 6.813 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.347 10.434 8.214 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.532 10.596 9.079 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.718 11.286 10.208 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.745 12.005 10.749 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.906 11.274 10.800 1.00 0.00 N ATOM 0 H ARG A 71 -1.393 8.843 3.560 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.862 9.662 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.483 9.375 6.029 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.192 10.910 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.357 12.052 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.735 10.977 6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.078 9.380 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.492 10.951 8.649 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.357 10.090 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.828 12.041 10.303 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.913 12.523 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.673 10.739 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.052 11.800 11.662 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.532 11.958 3.187 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.968 13.073 2.336 1.00 0.00 C ATOM 1107 C GLY A 72 -2.722 12.912 0.826 1.00 0.00 C ATOM 1108 O GLY A 72 -3.474 13.471 0.029 1.00 0.00 O ATOM 0 H GLY A 72 -1.584 12.055 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.035 13.228 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.461 13.978 2.671 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.697 12.155 0.409 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.264 11.901 -0.977 1.00 0.00 C ATOM 1114 C ILE A 73 -1.339 13.156 -1.886 1.00 0.00 C ATOM 1115 O ILE A 73 -0.818 14.204 -1.508 1.00 0.00 O ATOM 1116 CB ILE A 73 -1.917 10.579 -1.478 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.405 10.080 -2.852 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.457 10.610 -1.478 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.455 8.558 -3.027 1.00 0.00 C ATOM 0 H ILE A 73 -1.103 11.667 1.080 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.191 11.715 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.587 9.857 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.999 10.545 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.377 10.416 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.840 9.656 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.817 10.786 -0.464 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.805 11.411 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.079 8.293 -4.015 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.837 8.084 -2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.484 8.214 -2.926 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.859 13.048 -3.111 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.227 14.127 -4.026 1.00 0.00 C ATOM 1133 C GLY A 74 -2.871 13.538 -5.284 1.00 0.00 C ATOM 1134 O GLY A 74 -2.561 12.400 -5.647 1.00 0.00 O ATOM 0 H GLY A 74 -2.048 12.132 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.920 14.811 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.344 14.706 -4.295 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.713 14.299 -5.994 1.00 0.00 N ATOM 1139 CA ARG A 75 -4.532 13.801 -7.111 1.00 0.00 C ATOM 1140 C ARG A 75 -3.666 13.221 -8.231 1.00 0.00 C ATOM 1141 O ARG A 75 -3.992 12.171 -8.777 1.00 0.00 O ATOM 1142 CB ARG A 75 -5.458 14.923 -7.634 1.00 0.00 C ATOM 1143 CG ARG A 75 -6.801 14.448 -8.227 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.697 13.555 -9.472 1.00 0.00 C ATOM 1145 NE ARG A 75 -8.009 13.336 -10.109 1.00 0.00 N ATOM 1146 CZ ARG A 75 -8.507 12.174 -10.555 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -7.767 11.075 -10.529 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -9.749 12.115 -11.009 1.00 0.00 N ATOM 0 H ARG A 75 -3.848 15.293 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.154 12.986 -6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.665 15.612 -6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.922 15.487 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.346 13.904 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.397 15.325 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.018 14.013 -10.191 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.265 12.594 -9.193 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.602 14.158 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.814 11.111 -10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.151 10.194 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.328 12.954 -11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.127 11.230 -11.348 1.00 0.00 H new ATOM 1162 N ARG A 76 -2.532 13.856 -8.545 1.00 0.00 N ATOM 1163 CA ARG A 76 -1.578 13.328 -9.525 1.00 0.00 C ATOM 1164 C ARG A 76 -1.182 11.890 -9.178 1.00 0.00 C ATOM 1165 O ARG A 76 -1.029 11.080 -10.089 1.00 0.00 O ATOM 1166 CB ARG A 76 -0.355 14.263 -9.596 1.00 0.00 C ATOM 1167 CG ARG A 76 0.768 13.853 -10.568 1.00 0.00 C ATOM 1168 CD ARG A 76 0.430 13.958 -12.062 1.00 0.00 C ATOM 1169 NE ARG A 76 0.059 12.669 -12.671 1.00 0.00 N ATOM 1170 CZ ARG A 76 0.854 11.868 -13.398 1.00 0.00 C ATOM 1171 NH1 ARG A 76 2.174 12.035 -13.419 1.00 0.00 N ATOM 1172 NH2 ARG A 76 0.315 10.887 -14.110 1.00 0.00 N ATOM 0 H ARG A 76 -2.251 14.744 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.044 13.296 -10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.702 15.258 -9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.072 14.343 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.641 14.474 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.053 12.824 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.391 14.662 -12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.289 14.368 -12.593 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.900 12.353 -12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.602 12.784 -12.875 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.758 11.414 -13.979 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.695 10.747 -14.102 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.911 10.273 -14.666 1.00 0.00 H new ATOM 1186 N ALA A 77 -1.017 11.565 -7.890 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.603 10.234 -7.463 1.00 0.00 C ATOM 1188 C ALA A 77 -1.762 9.238 -7.458 1.00 0.00 C ATOM 1189 O ALA A 77 -1.521 8.098 -7.843 1.00 0.00 O ATOM 1190 CB ALA A 77 0.088 10.304 -6.103 1.00 0.00 C ATOM 0 H ALA A 77 -1.167 12.218 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 77 0.114 9.861 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.391 9.303 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.968 10.944 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.601 10.715 -5.365 1.00 0.00 H new ATOM 1196 N ILE A 78 -3.002 9.632 -7.117 1.00 0.00 N ATOM 1197 CA ILE A 78 -4.177 8.813 -7.413 1.00 0.00 C ATOM 1198 C ILE A 78 -4.112 8.383 -8.887 1.00 0.00 C ATOM 1199 O ILE A 78 -4.253 7.204 -9.199 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.459 9.618 -7.083 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.892 9.589 -5.607 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.686 9.144 -7.873 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.868 9.908 -4.528 1.00 0.00 C ATOM 0 H ILE A 78 -3.209 10.509 -6.639 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.198 7.912 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.157 10.628 -7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.718 10.291 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.288 8.595 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.551 9.747 -7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.495 9.251 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.885 8.097 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.340 9.842 -3.548 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.046 9.194 -4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.483 10.917 -4.678 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.850 9.332 -9.793 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.853 9.072 -11.223 1.00 0.00 C ATOM 1217 C ALA A 79 -2.739 8.125 -11.701 1.00 0.00 C ATOM 1218 O ALA A 79 -2.794 7.732 -12.866 1.00 0.00 O ATOM 1219 CB ALA A 79 -3.806 10.396 -11.989 1.00 0.00 C ATOM 0 H ALA A 79 -3.631 10.298 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.783 8.545 -11.435 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.808 10.197 -13.061 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.677 10.997 -11.730 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.899 10.938 -11.723 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.738 7.758 -10.883 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.851 6.657 -11.236 1.00 0.00 C ATOM 1227 C ALA A 80 -1.566 5.334 -11.038 1.00 0.00 C ATOM 1228 O ALA A 80 -1.593 4.512 -11.939 1.00 0.00 O ATOM 1229 CB ALA A 80 0.393 6.640 -10.364 1.00 0.00 C ATOM 0 H ALA A 80 -1.532 8.204 -9.989 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.563 6.798 -12.278 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.031 5.806 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.939 7.575 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.103 6.527 -9.319 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.118 5.108 -9.853 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.817 3.911 -9.501 1.00 0.00 C ATOM 1237 C PHE A 81 -4.030 3.716 -10.410 1.00 0.00 C ATOM 1238 O PHE A 81 -4.269 2.599 -10.855 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.126 4.053 -8.010 1.00 0.00 C ATOM 1240 CG PHE A 81 -1.883 4.112 -7.134 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -0.907 3.101 -7.237 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -1.701 5.156 -6.205 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.209 3.096 -6.388 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -0.579 5.155 -5.354 1.00 0.00 C ATOM 1245 CZ PHE A 81 0.361 4.112 -5.433 1.00 0.00 C ATOM 0 H PHE A 81 -2.082 5.787 -9.093 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.240 2.999 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.714 4.957 -7.854 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.744 3.213 -7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.020 2.322 -7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.423 5.957 -6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.948 2.313 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.441 5.955 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.202 4.093 -4.756 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.709 4.788 -10.829 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.750 4.709 -11.847 1.00 0.00 C ATOM 1257 C GLU A 82 -5.243 4.177 -13.198 1.00 0.00 C ATOM 1258 O GLU A 82 -6.062 3.663 -13.960 1.00 0.00 O ATOM 1259 CB GLU A 82 -6.412 6.077 -12.045 1.00 0.00 C ATOM 1260 CG GLU A 82 -7.386 6.444 -10.913 1.00 0.00 C ATOM 1261 CD GLU A 82 -8.382 7.534 -11.329 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.992 7.420 -12.417 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.571 8.502 -10.562 1.00 0.00 O ATOM 0 H GLU A 82 -4.550 5.730 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.481 3.991 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.639 6.842 -12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.949 6.081 -12.994 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.934 5.553 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.820 6.785 -10.046 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.933 4.216 -13.503 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.388 3.590 -14.713 1.00 0.00 C ATOM 1272 C ALA A 83 -3.474 2.062 -14.643 1.00 0.00 C ATOM 1273 O ALA A 83 -3.198 1.372 -15.627 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.930 4.016 -14.930 1.00 0.00 C ATOM 0 H ALA A 83 -3.233 4.678 -12.923 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.992 3.929 -15.555 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.543 3.542 -15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.880 5.099 -15.039 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.330 3.710 -14.073 1.00 0.00 H new ATOM 1280 N MET A 84 -3.798 1.523 -13.470 1.00 0.00 N ATOM 1281 CA MET A 84 -3.972 0.094 -13.241 1.00 0.00 C ATOM 1282 C MET A 84 -5.232 -0.228 -12.430 1.00 0.00 C ATOM 1283 O MET A 84 -5.393 -1.352 -11.948 1.00 0.00 O ATOM 1284 CB MET A 84 -2.672 -0.506 -12.674 1.00 0.00 C ATOM 1285 CG MET A 84 -1.755 0.441 -11.881 1.00 0.00 C ATOM 1286 SD MET A 84 -0.149 -0.286 -11.478 1.00 0.00 S ATOM 1287 CE MET A 84 0.550 -0.503 -13.142 1.00 0.00 C ATOM 0 H MET A 84 -3.950 2.084 -12.632 1.00 0.00 H new ATOM 0 HA MET A 84 -4.155 -0.397 -14.197 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.938 -1.341 -12.026 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.098 -0.917 -13.504 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.599 1.352 -12.459 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.256 0.731 -10.958 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.620 -0.298 -13.117 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.384 -1.527 -13.475 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.065 0.186 -13.833 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.151 0.729 -12.266 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.317 0.560 -11.402 1.00 0.00 C ATOM 1299 C GLY A 85 -6.914 0.124 -9.987 1.00 0.00 C ATOM 1300 O GLY A 85 -7.636 -0.636 -9.340 1.00 0.00 O ATOM 0 H GLY A 85 -6.105 1.638 -12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.871 1.497 -11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.987 -0.183 -11.835 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.754 0.586 -9.520 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.208 0.291 -8.208 1.00 0.00 C ATOM 1306 C VAL A 86 -5.968 1.226 -7.269 1.00 0.00 C ATOM 1307 O VAL A 86 -5.919 2.444 -7.421 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.664 0.479 -8.243 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.030 0.527 -6.845 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.070 -0.744 -8.935 1.00 0.00 C ATOM 0 H VAL A 86 -5.152 1.198 -10.070 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.338 -0.736 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.463 1.423 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.952 0.660 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.451 1.361 -6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.236 -0.405 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.985 -0.647 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.332 -1.642 -8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.468 -0.818 -9.947 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.794 0.644 -6.394 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.679 1.447 -5.562 1.00 0.00 C ATOM 1322 C LYS A 87 -6.844 2.163 -4.503 1.00 0.00 C ATOM 1323 O LYS A 87 -5.853 1.622 -4.013 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.805 0.553 -5.020 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.624 1.265 -3.933 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.051 0.734 -3.752 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.130 -0.794 -3.662 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.472 -1.268 -4.040 1.00 0.00 N ATOM 0 H LYS A 87 -6.865 -0.363 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.179 2.235 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.463 0.261 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.378 -0.363 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.096 1.177 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.674 2.327 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.478 1.166 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.664 1.073 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.383 -1.241 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.897 -1.116 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.506 -2.305 -3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.179 -0.856 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.680 -0.978 -5.017 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.249 3.373 -4.124 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.490 4.244 -3.243 1.00 0.00 C ATOM 1344 C VAL A 88 -7.417 4.655 -2.107 1.00 0.00 C ATOM 1345 O VAL A 88 -8.385 5.382 -2.324 1.00 0.00 O ATOM 1346 CB VAL A 88 -5.919 5.453 -4.019 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -4.844 6.162 -3.181 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.296 5.076 -5.372 1.00 0.00 C ATOM 0 H VAL A 88 -8.133 3.780 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.623 3.729 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.769 6.107 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.450 7.012 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.283 6.513 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.035 5.465 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.916 5.973 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.477 4.375 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.053 4.612 -6.004 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.123 4.188 -0.899 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.742 4.602 0.347 1.00 0.00 C ATOM 1360 C ILE A 89 -6.850 5.691 0.937 1.00 0.00 C ATOM 1361 O ILE A 89 -5.634 5.528 0.968 1.00 0.00 O ATOM 1362 CB ILE A 89 -7.904 3.354 1.239 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.038 2.494 0.642 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.192 3.688 2.707 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.232 1.137 1.300 1.00 0.00 C ATOM 0 H ILE A 89 -6.409 3.473 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.741 5.022 0.230 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.959 2.811 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.972 3.052 0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.837 2.341 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.294 2.765 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.370 4.277 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.117 4.261 2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.051 0.609 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.316 0.553 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.468 1.275 2.355 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.433 6.802 1.387 1.00 0.00 N ATOM 1378 CA LYS A 90 -6.746 8.012 1.832 1.00 0.00 C ATOM 1379 C LYS A 90 -7.296 8.395 3.203 1.00 0.00 C ATOM 1380 O LYS A 90 -8.336 7.885 3.622 1.00 0.00 O ATOM 1381 CB LYS A 90 -6.932 9.167 0.817 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.616 8.827 -0.652 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.805 8.255 -1.438 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.866 9.330 -1.637 1.00 0.00 C ATOM 1385 NZ LYS A 90 -10.161 8.790 -2.112 1.00 0.00 N ATOM 0 H LYS A 90 -8.447 6.885 1.454 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.675 7.822 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.963 9.514 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.297 9.999 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.264 9.728 -1.154 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.798 8.107 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.467 7.883 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.231 7.407 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.022 9.856 -0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.500 10.064 -2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.840 9.569 -2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.024 8.311 -3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.530 8.110 -1.417 1.00 0.00 H new ATOM 1399 N GLY A 91 -6.630 9.323 3.884 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.046 9.797 5.195 1.00 0.00 C ATOM 1401 C GLY A 91 -6.880 8.758 6.309 1.00 0.00 C ATOM 1402 O GLY A 91 -7.433 8.956 7.391 1.00 0.00 O ATOM 0 H GLY A 91 -5.781 9.769 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.468 10.685 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.092 10.100 5.147 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.164 7.653 6.066 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.905 6.625 7.073 1.00 0.00 C ATOM 1408 C ALA A 92 -4.918 7.138 8.125 1.00 0.00 C ATOM 1409 O ALA A 92 -4.312 8.193 7.939 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.349 5.382 6.377 1.00 0.00 C ATOM 0 H ALA A 92 -5.747 7.449 5.158 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.834 6.373 7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.152 4.608 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.076 5.014 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.422 5.637 5.863 1.00 0.00 H new ATOM 1416 N SER A 93 -4.705 6.382 9.200 1.00 0.00 N ATOM 1417 CA SER A 93 -3.768 6.681 10.278 1.00 0.00 C ATOM 1418 C SER A 93 -3.459 5.398 11.056 1.00 0.00 C ATOM 1419 O SER A 93 -4.298 4.496 11.101 1.00 0.00 O ATOM 1420 CB SER A 93 -4.333 7.765 11.197 1.00 0.00 C ATOM 1421 OG SER A 93 -5.714 7.624 11.442 1.00 0.00 O ATOM 0 H SER A 93 -5.204 5.505 9.349 1.00 0.00 H new ATOM 0 HA SER A 93 -2.840 7.063 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.798 7.742 12.147 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.148 8.742 10.751 1.00 0.00 H new ATOM 0 HG SER A 93 -6.016 8.343 12.036 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.280 5.325 11.672 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.866 4.180 12.488 1.00 0.00 C ATOM 1429 C GLY A 94 -0.553 3.562 12.017 1.00 0.00 C ATOM 1430 O GLY A 94 0.131 4.107 11.149 1.00 0.00 O ATOM 0 H GLY A 94 -1.578 6.064 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.761 4.498 13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.648 3.421 12.465 1.00 0.00 H new ATOM 1434 N THR A 95 -0.165 2.434 12.604 1.00 0.00 N ATOM 1435 CA THR A 95 0.935 1.620 12.094 1.00 0.00 C ATOM 1436 C THR A 95 0.430 0.717 10.962 1.00 0.00 C ATOM 1437 O THR A 95 -0.772 0.633 10.710 1.00 0.00 O ATOM 1438 CB THR A 95 1.531 0.801 13.249 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.497 0.036 13.831 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.170 1.704 14.307 1.00 0.00 C ATOM 0 H THR A 95 -0.603 2.058 13.445 1.00 0.00 H new ATOM 0 HA THR A 95 1.719 2.257 11.684 1.00 0.00 H new ATOM 0 HB THR A 95 2.315 0.153 12.857 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.860 -0.495 14.570 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.581 1.091 15.109 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.969 2.289 13.852 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.415 2.376 14.715 1.00 0.00 H new ATOM 1448 N VAL A 96 1.329 0.007 10.280 1.00 0.00 N ATOM 1449 CA VAL A 96 0.960 -0.898 9.197 1.00 0.00 C ATOM 1450 C VAL A 96 0.041 -1.996 9.709 1.00 0.00 C ATOM 1451 O VAL A 96 -0.978 -2.269 9.077 1.00 0.00 O ATOM 1452 CB VAL A 96 2.231 -1.481 8.554 1.00 0.00 C ATOM 1453 CG1 VAL A 96 2.038 -2.789 7.771 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.817 -0.434 7.624 1.00 0.00 C ATOM 0 H VAL A 96 2.332 0.045 10.464 1.00 0.00 H new ATOM 0 HA VAL A 96 0.413 -0.344 8.434 1.00 0.00 H new ATOM 0 HB VAL A 96 2.894 -1.736 9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.995 -3.112 7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.651 -3.559 8.439 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.331 -2.625 6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.720 -0.827 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.089 -0.184 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.064 0.462 8.194 1.00 0.00 H new ATOM 1464 N GLU A 97 0.408 -2.654 10.814 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.404 -3.773 11.293 1.00 0.00 C ATOM 1466 C GLU A 97 -1.842 -3.311 11.579 1.00 0.00 C ATOM 1467 O GLU A 97 -2.807 -4.018 11.283 1.00 0.00 O ATOM 1468 CB GLU A 97 0.194 -4.484 12.514 1.00 0.00 C ATOM 1469 CG GLU A 97 0.484 -3.587 13.730 1.00 0.00 C ATOM 1470 CD GLU A 97 0.437 -4.303 15.090 1.00 0.00 C ATOM 1471 OE1 GLU A 97 -0.089 -5.442 15.199 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.817 -3.665 16.097 1.00 0.00 O ATOM 0 H GLU A 97 1.232 -2.440 11.375 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.415 -4.511 10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.490 -5.274 12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.123 -4.967 12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.470 -3.139 13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.238 -2.770 13.741 1.00 0.00 H new ATOM 1479 N GLU A 98 -1.969 -2.100 12.106 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.197 -1.501 12.573 1.00 0.00 C ATOM 1481 C GLU A 98 -4.036 -1.145 11.354 1.00 0.00 C ATOM 1482 O GLU A 98 -5.142 -1.649 11.200 1.00 0.00 O ATOM 1483 CB GLU A 98 -2.820 -0.277 13.415 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.010 0.440 14.059 1.00 0.00 C ATOM 1485 CD GLU A 98 -3.592 1.823 14.568 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -2.500 1.941 15.178 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -4.338 2.790 14.304 1.00 0.00 O ATOM 0 H GLU A 98 -1.167 -1.480 12.222 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.789 -2.171 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.132 -0.590 14.200 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.283 0.431 12.784 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.817 0.542 13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.398 -0.156 14.885 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.504 -0.317 10.456 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.150 0.148 9.247 1.00 0.00 C ATOM 1496 C VAL A 99 -4.636 -1.038 8.403 1.00 0.00 C ATOM 1497 O VAL A 99 -5.765 -1.012 7.903 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.105 1.018 8.516 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.520 1.344 7.097 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.880 2.379 9.188 1.00 0.00 C ATOM 0 H VAL A 99 -2.563 0.062 10.565 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.044 0.736 9.456 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.200 0.412 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.752 1.957 6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.643 0.420 6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.463 1.890 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.135 2.943 8.627 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.817 2.935 9.207 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.528 2.227 10.208 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.815 -2.082 8.241 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.205 -3.251 7.463 1.00 0.00 C ATOM 1512 C VAL A 100 -5.348 -3.966 8.190 1.00 0.00 C ATOM 1513 O VAL A 100 -6.257 -4.463 7.524 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.980 -4.149 7.180 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.338 -5.491 6.517 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.987 -3.451 6.238 1.00 0.00 C ATOM 0 H VAL A 100 -2.878 -2.136 8.640 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.579 -2.959 6.482 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.547 -4.336 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.429 -6.068 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.008 -6.052 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.832 -5.305 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.135 -4.106 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.480 -3.226 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.641 -2.524 6.696 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.365 -4.003 9.528 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.508 -4.570 10.240 1.00 0.00 C ATOM 1528 C ASN A 101 -7.771 -3.726 10.051 1.00 0.00 C ATOM 1529 O ASN A 101 -8.844 -4.293 9.845 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.218 -4.768 11.732 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.385 -5.536 12.349 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -7.750 -6.591 11.836 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -8.012 -5.059 13.410 1.00 0.00 N ATOM 0 H ASN A 101 -4.616 -3.654 10.126 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.685 -5.552 9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.287 -5.318 11.868 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.094 -3.804 12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.803 -5.567 13.806 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.705 -4.183 13.832 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.670 -2.392 10.077 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.812 -1.500 9.850 1.00 0.00 C ATOM 1542 C GLN A 102 -9.411 -1.756 8.463 1.00 0.00 C ATOM 1543 O GLN A 102 -10.631 -1.833 8.302 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.415 -0.015 9.989 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.865 0.331 11.380 1.00 0.00 C ATOM 1546 CD GLN A 102 -7.709 1.830 11.624 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -6.542 2.259 12.071 1.00 0.00 O flip ATOM 1548 NE2 GLN A 102 -8.633 2.621 11.420 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.794 -1.901 10.256 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.558 -1.716 10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.664 0.227 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.285 0.609 9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.530 -0.084 12.137 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.896 -0.152 11.508 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -9.530 2.279 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.500 3.617 11.596 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.554 -1.891 7.451 1.00 0.00 N ATOM 1558 CA TYR A 103 -8.952 -2.155 6.083 1.00 0.00 C ATOM 1559 C TYR A 103 -9.555 -3.545 5.891 1.00 0.00 C ATOM 1560 O TYR A 103 -10.587 -3.666 5.224 1.00 0.00 O ATOM 1561 CB TYR A 103 -7.737 -1.970 5.186 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.018 -2.412 3.769 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -8.945 -1.680 3.010 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.513 -3.637 3.289 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.363 -2.163 1.759 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -7.952 -4.139 2.051 1.00 0.00 C ATOM 1567 CZ TYR A 103 -8.877 -3.398 1.279 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.373 -3.904 0.116 1.00 0.00 O ATOM 0 H TYR A 103 -7.544 -1.817 7.570 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.740 -1.451 5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.439 -0.922 5.188 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -6.899 -2.540 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.336 -0.747 3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.790 -4.189 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.057 -1.589 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.584 -5.088 1.690 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.937 -4.759 -0.081 1.00 0.00 H new ATOM 1578 N LEU A 104 -8.945 -4.596 6.450 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.519 -5.939 6.374 1.00 0.00 C ATOM 1580 C LEU A 104 -10.855 -5.991 7.121 1.00 0.00 C ATOM 1581 O LEU A 104 -11.750 -6.743 6.728 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.557 -7.006 6.932 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.327 -7.342 6.062 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.642 -8.593 6.621 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -7.676 -7.605 4.593 1.00 0.00 C ATOM 0 H LEU A 104 -8.061 -4.541 6.956 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.688 -6.163 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.204 -6.672 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.122 -7.924 7.095 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.674 -6.470 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.772 -8.835 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.324 -8.406 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.341 -9.429 6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.766 -7.835 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.364 -8.448 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.147 -6.719 4.167 1.00 0.00 H new ATOM 1597 N SER A 105 -11.032 -5.143 8.138 1.00 0.00 N ATOM 1598 CA SER A 105 -12.292 -4.983 8.849 1.00 0.00 C ATOM 1599 C SER A 105 -13.309 -4.148 8.056 1.00 0.00 C ATOM 1600 O SER A 105 -14.452 -3.976 8.488 1.00 0.00 O ATOM 1601 CB SER A 105 -12.009 -4.385 10.224 1.00 0.00 C ATOM 1602 OG SER A 105 -11.144 -5.249 10.942 1.00 0.00 O ATOM 0 H SER A 105 -10.288 -4.541 8.492 1.00 0.00 H new ATOM 0 HA SER A 105 -12.754 -5.963 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.553 -3.401 10.118 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.941 -4.247 10.772 1.00 0.00 H new ATOM 0 HG SER A 105 -10.214 -5.047 10.710 1.00 0.00 H new ATOM 1608 N GLY A 106 -12.930 -3.624 6.888 1.00 0.00 N ATOM 1609 CA GLY A 106 -13.771 -2.781 6.058 1.00 0.00 C ATOM 1610 C GLY A 106 -14.109 -1.441 6.711 1.00 0.00 C ATOM 1611 O GLY A 106 -14.999 -0.755 6.205 1.00 0.00 O ATOM 0 H GLY A 106 -12.005 -3.783 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.268 -2.599 5.109 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.696 -3.311 5.832 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.437 -1.062 7.805 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.644 0.227 8.455 1.00 0.00 C ATOM 1617 C GLN A 107 -13.111 1.283 7.491 1.00 0.00 C ATOM 1618 O GLN A 107 -13.792 2.254 7.156 1.00 0.00 O ATOM 1619 CB GLN A 107 -12.895 0.287 9.805 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.341 -0.735 10.869 1.00 0.00 C ATOM 1621 CD GLN A 107 -14.404 -0.188 11.822 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -14.133 0.101 12.987 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -15.646 -0.067 11.392 1.00 0.00 N ATOM 0 H GLN A 107 -12.735 -1.645 8.261 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.699 0.392 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -11.831 0.144 9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.013 1.288 10.219 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.732 -1.622 10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.472 -1.051 11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.877 -0.305 10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.375 0.264 12.024 1.00 0.00 H new ATOM 1632 N LEU A 108 -11.886 1.049 7.019 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.117 1.990 6.236 1.00 0.00 C ATOM 1634 C LEU A 108 -11.706 2.142 4.851 1.00 0.00 C ATOM 1635 O LEU A 108 -11.949 1.147 4.164 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.682 1.478 6.143 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.613 2.567 6.199 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.655 3.422 7.459 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.264 1.867 6.150 1.00 0.00 C ATOM 0 H LEU A 108 -11.395 0.170 7.181 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.138 2.968 6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.508 0.774 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.568 0.923 5.212 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.789 3.243 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.863 4.170 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.622 3.921 7.528 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.510 2.788 8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.467 2.610 6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.173 1.193 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.184 1.296 5.225 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.884 3.387 4.425 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.578 3.707 3.180 1.00 0.00 C ATOM 1653 C LYS A 109 -11.865 4.783 2.378 1.00 0.00 C ATOM 1654 O LYS A 109 -11.241 5.682 2.936 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.046 4.101 3.464 1.00 0.00 C ATOM 1656 CG LYS A 109 -14.995 3.440 2.450 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.163 1.933 2.743 1.00 0.00 C ATOM 1658 CE LYS A 109 -15.275 1.036 1.502 1.00 0.00 C ATOM 1659 NZ LYS A 109 -16.534 1.221 0.764 1.00 0.00 N ATOM 0 H LYS A 109 -11.551 4.206 4.933 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.572 2.807 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.319 3.799 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.152 5.185 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.968 3.931 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.605 3.576 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.314 1.598 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.055 1.795 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -14.437 1.243 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.190 -0.007 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.549 0.588 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.337 0.997 1.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.608 2.208 0.445 1.00 0.00 H new