USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 930 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 34 TYR OH : rot 94:sc= 0.975 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.0341 K(o=1,f=-6.5!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.0247 X(o=0.025,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.55 K(o=-2.5,f=-8.8!) USER MOD Single : A 16 TYR OH : rot 90:sc= -0.109 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.251 F(o=-0.75,f=-0.25) USER MOD Single : A 25 MET CE :methyl -149:sc= -1.31 (180deg=-3.6!) USER MOD Single : A 32 CYS SG : rot -135:sc= -0.922! USER MOD Single : A 33 GLN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1 K(o=-1,f=-5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.206 K(o=0.21,f=-3.3!) USER MOD Single : A 79 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-5!) USER MOD Single : A 81 THR OG1 : rot -35:sc= -0.495 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 91:sc= -0.286 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.345 F(o=-1.9!,f=-0.34) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 2.149 -2.341 -0.123 1.00 0.00 N ATOM 21 CA ASN A 2 2.142 -3.640 -0.828 1.00 0.00 C ATOM 22 C ASN A 2 0.925 -4.482 -0.406 1.00 0.00 C ATOM 23 O ASN A 2 1.036 -5.674 -0.112 1.00 0.00 O ATOM 24 CB ASN A 2 3.482 -4.379 -0.576 1.00 0.00 C ATOM 25 CG ASN A 2 4.683 -3.666 -1.202 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.369 -2.874 -0.552 1.00 0.00 O ATOM 27 ND2 ASN A 2 4.928 -3.924 -2.480 1.00 0.00 N ATOM 0 HA ASN A 2 2.051 -3.470 -1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.642 -4.474 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.415 -5.389 -0.979 1.00 0.00 H new ATOM 0 HD21 ASN A 2 5.704 -3.461 -2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.341 -4.585 -2.989 1.00 0.00 H new ATOM 34 N SER A 3 -0.257 -3.845 -0.445 1.00 0.00 N ATOM 35 CA SER A 3 -1.547 -4.495 -0.113 1.00 0.00 C ATOM 36 C SER A 3 -1.908 -5.556 -1.166 1.00 0.00 C ATOM 37 O SER A 3 -2.495 -6.586 -0.838 1.00 0.00 O ATOM 38 CB SER A 3 -2.662 -3.433 -0.002 1.00 0.00 C ATOM 39 OG SER A 3 -2.714 -2.614 -1.159 1.00 0.00 O ATOM 0 H SER A 3 -0.351 -2.864 -0.707 1.00 0.00 H new ATOM 0 HA SER A 3 -1.447 -4.997 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.624 -3.926 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.489 -2.813 0.877 1.00 0.00 H new ATOM 0 HG SER A 3 -3.430 -1.953 -1.060 1.00 0.00 H new ATOM 45 N GLU A 4 -1.508 -5.284 -2.423 1.00 0.00 N ATOM 46 CA GLU A 4 -1.663 -6.211 -3.575 1.00 0.00 C ATOM 47 C GLU A 4 -0.892 -7.537 -3.378 1.00 0.00 C ATOM 48 O GLU A 4 -1.166 -8.521 -4.066 1.00 0.00 O ATOM 49 CB GLU A 4 -1.150 -5.516 -4.861 1.00 0.00 C ATOM 50 CG GLU A 4 0.340 -5.116 -4.784 1.00 0.00 C ATOM 51 CD GLU A 4 0.840 -4.374 -6.020 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.627 -3.147 -6.111 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.452 -5.012 -6.900 1.00 0.00 O ATOM 0 H GLU A 4 -1.061 -4.403 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.722 -6.454 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.297 -6.183 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.749 -4.625 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.494 -4.487 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.941 -6.014 -4.642 1.00 0.00 H new ATOM 60 N ILE A 5 0.105 -7.520 -2.475 1.00 0.00 N ATOM 61 CA ILE A 5 0.923 -8.694 -2.132 1.00 0.00 C ATOM 62 C ILE A 5 0.286 -9.431 -0.931 1.00 0.00 C ATOM 63 O ILE A 5 0.418 -10.655 -0.787 1.00 0.00 O ATOM 64 CB ILE A 5 2.390 -8.256 -1.783 1.00 0.00 C ATOM 65 CG1 ILE A 5 2.981 -7.298 -2.873 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.313 -9.471 -1.561 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.082 -7.884 -4.270 1.00 0.00 C ATOM 0 H ILE A 5 0.367 -6.681 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 5 0.961 -9.366 -2.989 1.00 0.00 H new ATOM 0 HB ILE A 5 2.340 -7.704 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.363 -6.401 -2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.976 -6.985 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.319 -9.125 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.931 -10.073 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.343 -10.075 -2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.503 -7.140 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.727 -8.763 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.089 -8.170 -4.617 1.00 0.00 H new ATOM 79 N GLU A 6 -0.415 -8.657 -0.084 1.00 0.00 N ATOM 80 CA GLU A 6 -1.181 -9.193 1.052 1.00 0.00 C ATOM 81 C GLU A 6 -2.483 -9.863 0.572 1.00 0.00 C ATOM 82 O GLU A 6 -2.975 -10.778 1.233 1.00 0.00 O ATOM 83 CB GLU A 6 -1.506 -8.067 2.067 1.00 0.00 C ATOM 84 CG GLU A 6 -0.273 -7.356 2.656 1.00 0.00 C ATOM 85 CD GLU A 6 -0.639 -6.253 3.664 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.808 -6.560 4.864 1.00 0.00 O ATOM 87 OE2 GLU A 6 -0.787 -5.082 3.254 1.00 0.00 O ATOM 0 H GLU A 6 -0.466 -7.642 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.567 -9.947 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.136 -7.325 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.089 -8.491 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.364 -8.092 3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.310 -6.920 1.845 1.00 0.00 H new ATOM 94 N LEU A 7 -3.023 -9.409 -0.586 1.00 0.00 N ATOM 95 CA LEU A 7 -4.281 -9.952 -1.142 1.00 0.00 C ATOM 96 C LEU A 7 -4.177 -11.483 -1.442 1.00 0.00 C ATOM 97 O LEU A 7 -4.984 -12.230 -0.899 1.00 0.00 O ATOM 98 CB LEU A 7 -4.758 -9.169 -2.406 1.00 0.00 C ATOM 99 CG LEU A 7 -5.186 -7.681 -2.206 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.628 -7.037 -3.546 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.284 -7.549 -1.123 1.00 0.00 C ATOM 0 H LEU A 7 -2.605 -8.669 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.037 -9.815 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.954 -9.193 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.601 -9.708 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.313 -7.132 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.920 -6.001 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.800 -7.067 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.475 -7.589 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.559 -6.500 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.161 -8.123 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.907 -7.930 -0.174 1.00 0.00 H new ATOM 113 N PRO A 8 -3.175 -11.992 -2.261 1.00 0.00 N ATOM 114 CA PRO A 8 -3.049 -13.439 -2.543 1.00 0.00 C ATOM 115 C PRO A 8 -2.906 -14.279 -1.266 1.00 0.00 C ATOM 116 O PRO A 8 -3.743 -15.137 -0.991 1.00 0.00 O ATOM 117 CB PRO A 8 -1.789 -13.551 -3.461 1.00 0.00 C ATOM 118 CG PRO A 8 -1.058 -12.262 -3.270 1.00 0.00 C ATOM 119 CD PRO A 8 -2.120 -11.233 -2.980 1.00 0.00 C ATOM 0 HA PRO A 8 -3.945 -13.834 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.169 -14.402 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.072 -13.694 -4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.346 -12.333 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.489 -11.998 -4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.729 -10.418 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.505 -10.788 -3.898 1.00 0.00 H new ATOM 127 N VAL A 9 -1.901 -13.938 -0.452 1.00 0.00 N ATOM 128 CA VAL A 9 -1.507 -14.743 0.716 1.00 0.00 C ATOM 129 C VAL A 9 -2.633 -14.837 1.779 1.00 0.00 C ATOM 130 O VAL A 9 -2.809 -15.886 2.413 1.00 0.00 O ATOM 131 CB VAL A 9 -0.179 -14.195 1.346 1.00 0.00 C ATOM 132 CG1 VAL A 9 0.956 -14.160 0.291 1.00 0.00 C ATOM 133 CG2 VAL A 9 -0.369 -12.805 2.002 1.00 0.00 C ATOM 0 H VAL A 9 -1.337 -13.098 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.329 -15.758 0.360 1.00 0.00 H new ATOM 0 HB VAL A 9 0.107 -14.884 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.867 -13.777 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.135 -15.167 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.665 -13.511 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.578 -12.469 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.705 -12.091 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.114 -12.875 2.795 1.00 0.00 H new ATOM 143 N GLN A 10 -3.408 -13.741 1.941 1.00 0.00 N ATOM 144 CA GLN A 10 -4.547 -13.689 2.878 1.00 0.00 C ATOM 145 C GLN A 10 -5.731 -14.502 2.328 1.00 0.00 C ATOM 146 O GLN A 10 -6.235 -15.391 3.012 1.00 0.00 O ATOM 147 CB GLN A 10 -4.950 -12.213 3.172 1.00 0.00 C ATOM 148 CG GLN A 10 -6.191 -12.006 4.079 1.00 0.00 C ATOM 149 CD GLN A 10 -6.181 -12.823 5.382 1.00 0.00 C ATOM 150 OE1 GLN A 10 -5.619 -12.402 6.393 1.00 0.00 O ATOM 151 NE2 GLN A 10 -6.841 -13.982 5.363 1.00 0.00 N ATOM 0 H GLN A 10 -3.260 -12.872 1.427 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.245 -14.140 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.100 -11.712 3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.134 -11.713 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.267 -10.948 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.085 -12.264 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.294 -14.297 4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.893 -14.553 6.206 1.00 0.00 H new ATOM 160 N LYS A 11 -6.136 -14.225 1.071 1.00 0.00 N ATOM 161 CA LYS A 11 -7.320 -14.875 0.449 1.00 0.00 C ATOM 162 C LYS A 11 -7.137 -16.394 0.309 1.00 0.00 C ATOM 163 O LYS A 11 -8.116 -17.144 0.323 1.00 0.00 O ATOM 164 CB LYS A 11 -7.657 -14.246 -0.919 1.00 0.00 C ATOM 165 CG LYS A 11 -8.014 -12.747 -0.857 1.00 0.00 C ATOM 166 CD LYS A 11 -9.210 -12.455 0.071 1.00 0.00 C ATOM 167 CE LYS A 11 -9.468 -10.954 0.252 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.604 -10.713 1.169 1.00 0.00 N ATOM 0 H LYS A 11 -5.664 -13.556 0.463 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.159 -14.702 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.805 -14.377 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.493 -14.789 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.146 -12.186 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.244 -12.391 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.104 -12.926 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.027 -12.908 1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.572 -10.473 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.676 -10.499 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.755 -9.689 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.463 -11.153 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.393 -11.128 2.099 1.00 0.00 H new ATOM 182 N GLN A 12 -5.881 -16.818 0.179 1.00 0.00 N ATOM 183 CA GLN A 12 -5.496 -18.231 0.146 1.00 0.00 C ATOM 184 C GLN A 12 -5.549 -18.860 1.547 1.00 0.00 C ATOM 185 O GLN A 12 -6.022 -19.983 1.690 1.00 0.00 O ATOM 186 CB GLN A 12 -4.088 -18.360 -0.445 1.00 0.00 C ATOM 187 CG GLN A 12 -4.013 -18.068 -1.956 1.00 0.00 C ATOM 188 CD GLN A 12 -2.594 -17.943 -2.480 1.00 0.00 C ATOM 189 OE1 GLN A 12 -2.348 -17.222 -3.442 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.650 -18.659 -1.867 1.00 0.00 N ATOM 0 H GLN A 12 -5.089 -16.181 0.092 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.206 -18.770 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.421 -17.677 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.719 -19.369 -0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.523 -18.865 -2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.552 -17.144 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.893 -19.247 -1.070 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.685 -18.618 -2.195 1.00 0.00 H new ATOM 199 N LEU A 13 -5.041 -18.144 2.564 1.00 0.00 N ATOM 200 CA LEU A 13 -5.009 -18.637 3.962 1.00 0.00 C ATOM 201 C LEU A 13 -6.425 -18.869 4.474 1.00 0.00 C ATOM 202 O LEU A 13 -6.745 -19.947 4.996 1.00 0.00 O ATOM 203 CB LEU A 13 -4.249 -17.628 4.873 1.00 0.00 C ATOM 204 CG LEU A 13 -4.173 -17.910 6.420 1.00 0.00 C ATOM 205 CD1 LEU A 13 -5.425 -17.443 7.198 1.00 0.00 C ATOM 206 CD2 LEU A 13 -3.817 -19.387 6.726 1.00 0.00 C ATOM 0 H LEU A 13 -4.642 -17.213 2.448 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.477 -19.588 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.227 -17.553 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.710 -16.650 4.738 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.353 -17.294 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.301 -17.670 8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.553 -16.368 7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.305 -17.961 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.776 -19.535 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.578 -20.041 6.299 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.847 -19.625 6.290 1.00 0.00 H new ATOM 218 N GLU A 14 -7.264 -17.835 4.329 1.00 0.00 N ATOM 219 CA GLU A 14 -8.649 -17.861 4.809 1.00 0.00 C ATOM 220 C GLU A 14 -9.449 -18.943 4.055 1.00 0.00 C ATOM 221 O GLU A 14 -10.440 -19.452 4.566 1.00 0.00 O ATOM 222 CB GLU A 14 -9.315 -16.459 4.680 1.00 0.00 C ATOM 223 CG GLU A 14 -9.434 -15.924 3.238 1.00 0.00 C ATOM 224 CD GLU A 14 -9.902 -14.460 3.145 1.00 0.00 C ATOM 225 OE1 GLU A 14 -9.090 -13.553 3.421 1.00 0.00 O ATOM 226 OE2 GLU A 14 -11.067 -14.200 2.791 1.00 0.00 O ATOM 0 H GLU A 14 -7.001 -16.959 3.876 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.647 -18.116 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.312 -16.505 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.741 -15.745 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.465 -16.016 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.132 -16.553 2.685 1.00 0.00 H new ATOM 233 N ALA A 15 -8.989 -19.252 2.827 1.00 0.00 N ATOM 234 CA ALA A 15 -9.502 -20.358 2.001 1.00 0.00 C ATOM 235 C ALA A 15 -8.902 -21.725 2.416 1.00 0.00 C ATOM 236 O ALA A 15 -9.547 -22.755 2.227 1.00 0.00 O ATOM 237 CB ALA A 15 -9.197 -20.082 0.519 1.00 0.00 C ATOM 0 H ALA A 15 -8.238 -18.730 2.375 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.579 -20.414 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.578 -20.902 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.677 -19.152 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.119 -19.996 0.379 1.00 0.00 H new ATOM 243 N TYR A 16 -7.672 -21.726 2.985 1.00 0.00 N ATOM 244 CA TYR A 16 -6.944 -22.973 3.338 1.00 0.00 C ATOM 245 C TYR A 16 -7.681 -23.706 4.475 1.00 0.00 C ATOM 246 O TYR A 16 -7.939 -24.916 4.399 1.00 0.00 O ATOM 247 CB TYR A 16 -5.480 -22.638 3.750 1.00 0.00 C ATOM 248 CG TYR A 16 -4.579 -23.860 4.007 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.964 -24.532 2.951 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.341 -24.337 5.301 1.00 0.00 C ATOM 251 CE1 TYR A 16 -3.147 -25.624 3.169 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.527 -25.432 5.523 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.932 -26.075 4.450 1.00 0.00 C ATOM 254 OH TYR A 16 -2.106 -27.162 4.660 1.00 0.00 O ATOM 0 H TYR A 16 -7.160 -20.873 3.211 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.912 -23.630 2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.028 -22.031 2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.503 -22.027 4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.130 -24.191 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.802 -23.840 6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.678 -26.123 2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.356 -25.785 6.529 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.185 -26.853 4.786 1.00 0.00 H new ATOM 264 N ASN A 17 -8.037 -22.928 5.507 1.00 0.00 N ATOM 265 CA ASN A 17 -8.823 -23.402 6.665 1.00 0.00 C ATOM 266 C ASN A 17 -10.327 -23.528 6.327 1.00 0.00 C ATOM 267 O ASN A 17 -11.088 -24.139 7.084 1.00 0.00 O ATOM 268 CB ASN A 17 -8.598 -22.462 7.891 1.00 0.00 C ATOM 269 CG ASN A 17 -8.711 -20.962 7.572 1.00 0.00 C ATOM 270 OD1 ASN A 17 -9.880 -20.514 7.144 1.00 0.00 O flip ATOM 271 ND2 ASN A 17 -7.747 -20.212 7.709 1.00 0.00 N flip ATOM 0 H ASN A 17 -7.787 -21.941 5.566 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.471 -24.401 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.325 -22.712 8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.610 -22.659 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.856 -20.582 8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.838 -19.220 7.491 1.00 0.00 H new ATOM 278 N ALA A 18 -10.749 -22.927 5.197 1.00 0.00 N ATOM 279 CA ALA A 18 -12.158 -22.968 4.724 1.00 0.00 C ATOM 280 C ALA A 18 -12.381 -24.058 3.664 1.00 0.00 C ATOM 281 O ALA A 18 -13.518 -24.258 3.213 1.00 0.00 O ATOM 282 CB ALA A 18 -12.577 -21.596 4.178 1.00 0.00 C ATOM 0 H ALA A 18 -10.128 -22.399 4.583 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.782 -23.218 5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.611 -21.641 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.488 -20.848 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.930 -21.323 3.344 1.00 0.00 H new ATOM 288 N ARG A 19 -11.286 -24.759 3.284 1.00 0.00 N ATOM 289 CA ARG A 19 -11.297 -25.894 2.329 1.00 0.00 C ATOM 290 C ARG A 19 -11.651 -25.460 0.882 1.00 0.00 C ATOM 291 O ARG A 19 -12.132 -26.270 0.079 1.00 0.00 O ATOM 292 CB ARG A 19 -12.222 -27.050 2.823 1.00 0.00 C ATOM 293 CG ARG A 19 -11.935 -27.555 4.256 1.00 0.00 C ATOM 294 CD ARG A 19 -10.522 -28.134 4.438 1.00 0.00 C ATOM 295 NE ARG A 19 -10.338 -28.652 5.813 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.114 -29.937 6.147 1.00 0.00 C ATOM 297 NH1 ARG A 19 -9.996 -30.878 5.217 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.016 -30.272 7.422 1.00 0.00 N ATOM 0 H ARG A 19 -10.353 -24.548 3.639 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.277 -26.276 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.257 -26.712 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.128 -27.889 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -12.073 -26.731 4.956 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.667 -28.320 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.357 -28.935 3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.779 -27.363 4.233 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.385 -27.975 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.075 -30.632 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.826 -31.846 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.110 -29.559 8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.846 -31.243 7.682 1.00 0.00 H new ATOM 312 N ASP A 20 -11.385 -24.189 0.550 1.00 0.00 N ATOM 313 CA ASP A 20 -11.525 -23.663 -0.823 1.00 0.00 C ATOM 314 C ASP A 20 -10.186 -23.771 -1.566 1.00 0.00 C ATOM 315 O ASP A 20 -9.296 -22.950 -1.351 1.00 0.00 O ATOM 316 CB ASP A 20 -11.990 -22.182 -0.823 1.00 0.00 C ATOM 317 CG ASP A 20 -13.375 -21.977 -0.207 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.385 -22.055 -0.941 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.466 -21.747 1.013 1.00 0.00 O ATOM 0 H ASP A 20 -11.066 -23.493 1.224 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.283 -24.262 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.265 -21.582 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.999 -21.812 -1.848 1.00 0.00 H new ATOM 324 N ILE A 21 -10.044 -24.804 -2.410 1.00 0.00 N ATOM 325 CA ILE A 21 -8.898 -24.933 -3.344 1.00 0.00 C ATOM 326 C ILE A 21 -8.990 -23.885 -4.471 1.00 0.00 C ATOM 327 O ILE A 21 -7.961 -23.416 -4.953 1.00 0.00 O ATOM 328 CB ILE A 21 -8.790 -26.402 -3.945 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.194 -27.374 -2.889 1.00 0.00 C ATOM 330 CG2 ILE A 21 -7.968 -26.468 -5.273 1.00 0.00 C ATOM 331 CD1 ILE A 21 -6.735 -27.101 -2.558 1.00 0.00 C ATOM 0 H ILE A 21 -10.712 -25.573 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.988 -24.746 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.805 -26.710 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.783 -27.307 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.289 -28.396 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.933 -27.498 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.443 -25.840 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.954 -26.113 -5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.390 -27.819 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.133 -27.197 -3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.635 -26.091 -2.161 1.00 0.00 H new ATOM 343 N ASP A 22 -10.224 -23.507 -4.859 1.00 0.00 N ATOM 344 CA ASP A 22 -10.465 -22.543 -5.960 1.00 0.00 C ATOM 345 C ASP A 22 -9.850 -21.166 -5.655 1.00 0.00 C ATOM 346 O ASP A 22 -9.193 -20.579 -6.516 1.00 0.00 O ATOM 347 CB ASP A 22 -11.983 -22.404 -6.244 1.00 0.00 C ATOM 348 CG ASP A 22 -12.620 -23.725 -6.691 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.341 -24.172 -7.821 1.00 0.00 O ATOM 350 OD2 ASP A 22 -13.392 -24.326 -5.912 1.00 0.00 O ATOM 0 H ASP A 22 -11.078 -23.856 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.975 -22.936 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.486 -22.047 -5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.137 -21.650 -7.016 1.00 0.00 H new ATOM 355 N ALA A 23 -10.051 -20.672 -4.419 1.00 0.00 N ATOM 356 CA ALA A 23 -9.443 -19.403 -3.943 1.00 0.00 C ATOM 357 C ALA A 23 -7.975 -19.613 -3.542 1.00 0.00 C ATOM 358 O ALA A 23 -7.142 -18.710 -3.693 1.00 0.00 O ATOM 359 CB ALA A 23 -10.263 -18.827 -2.779 1.00 0.00 C ATOM 0 H ALA A 23 -10.635 -21.134 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.458 -18.682 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.808 -17.897 -2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.282 -18.631 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.282 -19.544 -1.958 1.00 0.00 H new ATOM 365 N PHE A 24 -7.664 -20.830 -3.062 1.00 0.00 N ATOM 366 CA PHE A 24 -6.281 -21.245 -2.756 1.00 0.00 C ATOM 367 C PHE A 24 -5.476 -21.493 -4.062 1.00 0.00 C ATOM 368 O PHE A 24 -4.306 -21.832 -4.009 1.00 0.00 O ATOM 369 CB PHE A 24 -6.269 -22.494 -1.829 1.00 0.00 C ATOM 370 CG PHE A 24 -4.913 -22.779 -1.181 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.419 -21.932 -0.197 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.118 -23.848 -1.580 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.184 -22.138 0.372 1.00 0.00 C ATOM 374 CE2 PHE A 24 -2.876 -24.046 -1.014 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.407 -23.195 -0.039 1.00 0.00 C ATOM 0 H PHE A 24 -8.360 -21.552 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.791 -20.433 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.013 -22.358 -1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.573 -23.366 -2.408 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.018 -21.094 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.476 -24.528 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.825 -21.470 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.266 -24.876 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.434 -23.357 0.401 1.00 0.00 H new ATOM 385 N MET A 25 -6.149 -21.425 -5.231 1.00 0.00 N ATOM 386 CA MET A 25 -5.483 -21.475 -6.557 1.00 0.00 C ATOM 387 C MET A 25 -5.596 -20.136 -7.318 1.00 0.00 C ATOM 388 O MET A 25 -4.686 -19.780 -8.079 1.00 0.00 O ATOM 389 CB MET A 25 -6.074 -22.627 -7.423 1.00 0.00 C ATOM 390 CG MET A 25 -5.449 -22.799 -8.835 1.00 0.00 C ATOM 391 SD MET A 25 -3.993 -23.884 -8.908 1.00 0.00 S ATOM 392 CE MET A 25 -2.793 -23.153 -7.792 1.00 0.00 C ATOM 0 H MET A 25 -7.163 -21.334 -5.286 1.00 0.00 H new ATOM 0 HA MET A 25 -4.425 -21.664 -6.374 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.956 -23.563 -6.878 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.145 -22.457 -7.538 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.211 -23.194 -9.507 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.169 -21.816 -9.213 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.786 -23.362 -8.153 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.947 -22.075 -7.748 1.00 0.00 H new ATOM 0 HE3 MET A 25 -2.916 -23.578 -6.796 1.00 0.00 H new ATOM 402 N ALA A 26 -6.695 -19.393 -7.082 1.00 0.00 N ATOM 403 CA ALA A 26 -7.082 -18.201 -7.887 1.00 0.00 C ATOM 404 C ALA A 26 -6.002 -17.104 -7.919 1.00 0.00 C ATOM 405 O ALA A 26 -5.859 -16.393 -8.914 1.00 0.00 O ATOM 406 CB ALA A 26 -8.406 -17.611 -7.363 1.00 0.00 C ATOM 0 H ALA A 26 -7.347 -19.598 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.204 -18.553 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.678 -16.740 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.193 -18.361 -7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.285 -17.313 -6.321 1.00 0.00 H new ATOM 412 N TRP A 27 -5.253 -16.978 -6.819 1.00 0.00 N ATOM 413 CA TRP A 27 -4.265 -15.901 -6.628 1.00 0.00 C ATOM 414 C TRP A 27 -2.822 -16.330 -6.953 1.00 0.00 C ATOM 415 O TRP A 27 -1.873 -15.579 -6.703 1.00 0.00 O ATOM 416 CB TRP A 27 -4.363 -15.411 -5.180 1.00 0.00 C ATOM 417 CG TRP A 27 -5.657 -14.718 -4.854 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.799 -15.278 -4.362 1.00 0.00 C ATOM 419 CD2 TRP A 27 -5.924 -13.317 -5.003 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.754 -14.313 -4.196 1.00 0.00 N ATOM 421 CE2 TRP A 27 -7.241 -13.100 -4.584 1.00 0.00 C ATOM 422 CE3 TRP A 27 -5.168 -12.228 -5.458 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -7.825 -11.837 -4.594 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.745 -10.974 -5.466 1.00 0.00 C ATOM 425 CH2 TRP A 27 -7.067 -10.787 -5.039 1.00 0.00 C ATOM 0 H TRP A 27 -5.312 -17.621 -6.030 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.500 -15.101 -7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.240 -16.262 -4.510 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.537 -14.728 -4.982 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.930 -16.326 -4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.697 -14.470 -3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.152 -12.368 -5.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.842 -11.690 -4.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.170 -10.125 -5.806 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.496 -9.796 -5.061 1.00 0.00 H new ATOM 436 N TRP A 28 -2.659 -17.531 -7.508 1.00 0.00 N ATOM 437 CA TRP A 28 -1.346 -18.042 -7.948 1.00 0.00 C ATOM 438 C TRP A 28 -1.133 -17.747 -9.430 1.00 0.00 C ATOM 439 O TRP A 28 -2.092 -17.536 -10.187 1.00 0.00 O ATOM 440 CB TRP A 28 -1.247 -19.566 -7.707 1.00 0.00 C ATOM 441 CG TRP A 28 -1.333 -19.971 -6.260 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.430 -19.915 -5.453 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.277 -20.505 -5.452 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.121 -20.401 -4.218 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.812 -20.763 -4.186 1.00 0.00 C ATOM 446 CE3 TRP A 28 1.061 -20.799 -5.680 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.062 -21.296 -3.146 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.813 -21.324 -4.652 1.00 0.00 C ATOM 449 CH2 TRP A 28 1.249 -21.571 -3.396 1.00 0.00 C ATOM 0 H TRP A 28 -3.428 -18.182 -7.668 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.574 -17.540 -7.366 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.045 -20.062 -8.259 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.304 -19.926 -8.118 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.399 -19.541 -5.748 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.773 -20.481 -3.437 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.505 -20.619 -6.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.500 -21.485 -2.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.856 -21.549 -4.819 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.863 -21.987 -2.611 1.00 0.00 H new ATOM 460 N ALA A 29 0.140 -17.723 -9.831 1.00 0.00 N ATOM 461 CA ALA A 29 0.531 -17.681 -11.248 1.00 0.00 C ATOM 462 C ALA A 29 0.361 -19.076 -11.863 1.00 0.00 C ATOM 463 O ALA A 29 0.535 -20.084 -11.175 1.00 0.00 O ATOM 464 CB ALA A 29 1.980 -17.194 -11.397 1.00 0.00 C ATOM 0 H ALA A 29 0.930 -17.732 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.112 -16.977 -11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.249 -17.170 -12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.072 -16.193 -10.976 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.648 -17.873 -10.867 1.00 0.00 H new ATOM 470 N ASP A 30 0.034 -19.123 -13.157 1.00 0.00 N ATOM 471 CA ASP A 30 -0.164 -20.389 -13.896 1.00 0.00 C ATOM 472 C ASP A 30 1.169 -21.165 -14.052 1.00 0.00 C ATOM 473 O ASP A 30 1.182 -22.391 -14.196 1.00 0.00 O ATOM 474 CB ASP A 30 -0.807 -20.087 -15.274 1.00 0.00 C ATOM 475 CG ASP A 30 -1.085 -21.347 -16.114 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.932 -22.162 -15.708 1.00 0.00 O ATOM 477 OD2 ASP A 30 -0.458 -21.525 -17.174 1.00 0.00 O ATOM 0 H ASP A 30 -0.103 -18.289 -13.729 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.838 -21.029 -13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.743 -19.550 -15.119 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.148 -19.424 -15.835 1.00 0.00 H new ATOM 482 N ASP A 31 2.284 -20.426 -13.992 1.00 0.00 N ATOM 483 CA ASP A 31 3.653 -20.973 -14.100 1.00 0.00 C ATOM 484 C ASP A 31 4.360 -20.982 -12.731 1.00 0.00 C ATOM 485 O ASP A 31 5.591 -21.109 -12.667 1.00 0.00 O ATOM 486 CB ASP A 31 4.459 -20.123 -15.120 1.00 0.00 C ATOM 487 CG ASP A 31 3.896 -20.218 -16.547 1.00 0.00 C ATOM 488 OD1 ASP A 31 2.987 -19.434 -16.897 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.342 -21.086 -17.321 1.00 0.00 O ATOM 0 H ASP A 31 2.266 -19.414 -13.865 1.00 0.00 H new ATOM 0 HA ASP A 31 3.595 -22.005 -14.445 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.456 -19.081 -14.801 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.498 -20.453 -15.121 1.00 0.00 H new ATOM 494 N CYS A 32 3.569 -20.882 -11.639 1.00 0.00 N ATOM 495 CA CYS A 32 4.113 -20.755 -10.273 1.00 0.00 C ATOM 496 C CYS A 32 4.890 -22.005 -9.833 1.00 0.00 C ATOM 497 O CYS A 32 4.475 -23.134 -10.094 1.00 0.00 O ATOM 498 CB CYS A 32 3.010 -20.470 -9.248 1.00 0.00 C ATOM 499 SG CYS A 32 3.631 -20.311 -7.551 1.00 0.00 S ATOM 0 H CYS A 32 2.550 -20.887 -11.680 1.00 0.00 H new ATOM 0 HA CYS A 32 4.802 -19.911 -10.308 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.494 -19.551 -9.526 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.274 -21.273 -9.284 1.00 0.00 H new ATOM 0 HG CYS A 32 2.862 -20.979 -6.743 1.00 0.00 H new ATOM 505 N GLN A 33 6.019 -21.774 -9.159 1.00 0.00 N ATOM 506 CA GLN A 33 6.880 -22.834 -8.623 1.00 0.00 C ATOM 507 C GLN A 33 6.562 -23.026 -7.141 1.00 0.00 C ATOM 508 O GLN A 33 6.411 -22.048 -6.412 1.00 0.00 O ATOM 509 CB GLN A 33 8.366 -22.445 -8.810 1.00 0.00 C ATOM 510 CG GLN A 33 8.726 -22.051 -10.248 1.00 0.00 C ATOM 511 CD GLN A 33 8.687 -23.206 -11.248 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.669 -23.923 -11.424 1.00 0.00 O ATOM 513 NE2 GLN A 33 7.562 -23.371 -11.933 1.00 0.00 N ATOM 0 H GLN A 33 6.366 -20.834 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 33 6.698 -23.768 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.601 -21.613 -8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.993 -23.283 -8.505 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.038 -21.274 -10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.725 -21.616 -10.253 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.766 -22.757 -11.761 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.494 -24.112 -12.631 1.00 0.00 H new ATOM 522 N TYR A 34 6.470 -24.283 -6.709 1.00 0.00 N ATOM 523 CA TYR A 34 6.131 -24.635 -5.328 1.00 0.00 C ATOM 524 C TYR A 34 7.149 -25.661 -4.826 1.00 0.00 C ATOM 525 O TYR A 34 7.181 -26.796 -5.307 1.00 0.00 O ATOM 526 CB TYR A 34 4.687 -25.198 -5.261 1.00 0.00 C ATOM 527 CG TYR A 34 4.138 -25.371 -3.839 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.695 -24.269 -3.108 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.053 -26.629 -3.234 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.189 -24.411 -1.832 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.549 -26.774 -1.957 1.00 0.00 C ATOM 532 CZ TYR A 34 3.120 -25.662 -1.263 1.00 0.00 C ATOM 533 OH TYR A 34 2.595 -25.806 0.007 1.00 0.00 O ATOM 0 H TYR A 34 6.629 -25.092 -7.310 1.00 0.00 H new ATOM 0 HA TYR A 34 6.169 -23.751 -4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.025 -24.532 -5.814 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.663 -26.163 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.749 -23.285 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.387 -27.502 -3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.849 -23.545 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.491 -27.753 -1.504 1.00 0.00 H new ATOM 0 HH TYR A 34 1.640 -26.017 -0.056 1.00 0.00 H new ATOM 543 N TYR A 35 7.996 -25.233 -3.877 1.00 0.00 N ATOM 544 CA TYR A 35 9.009 -26.090 -3.244 1.00 0.00 C ATOM 545 C TYR A 35 8.632 -26.381 -1.788 1.00 0.00 C ATOM 546 O TYR A 35 7.962 -25.580 -1.124 1.00 0.00 O ATOM 547 CB TYR A 35 10.407 -25.425 -3.288 1.00 0.00 C ATOM 548 CG TYR A 35 10.972 -25.204 -4.699 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.534 -24.141 -5.496 1.00 0.00 C ATOM 550 CD2 TYR A 35 11.954 -26.043 -5.225 1.00 0.00 C ATOM 551 CE1 TYR A 35 11.052 -23.929 -6.757 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.471 -25.837 -6.489 1.00 0.00 C ATOM 553 CZ TYR A 35 12.018 -24.780 -7.251 1.00 0.00 C ATOM 554 OH TYR A 35 12.532 -24.572 -8.514 1.00 0.00 O ATOM 0 H TYR A 35 7.997 -24.276 -3.525 1.00 0.00 H new ATOM 0 HA TYR A 35 9.046 -27.025 -3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.352 -24.463 -2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.106 -26.044 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.775 -23.473 -5.117 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.317 -26.870 -4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.702 -23.100 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.228 -26.501 -6.880 1.00 0.00 H new ATOM 0 HH TYR A 35 13.203 -25.258 -8.711 1.00 0.00 H new ATOM 564 N ALA A 36 9.093 -27.541 -1.322 1.00 0.00 N ATOM 565 CA ALA A 36 8.961 -27.988 0.063 1.00 0.00 C ATOM 566 C ALA A 36 10.336 -28.025 0.723 1.00 0.00 C ATOM 567 O ALA A 36 11.358 -28.105 0.029 1.00 0.00 O ATOM 568 CB ALA A 36 8.314 -29.380 0.092 1.00 0.00 C ATOM 0 H ALA A 36 9.581 -28.213 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 36 8.327 -27.293 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.215 -29.714 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.328 -29.333 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.939 -30.083 -0.458 1.00 0.00 H new ATOM 574 N PHE A 37 10.344 -27.974 2.066 1.00 0.00 N ATOM 575 CA PHE A 37 11.569 -28.104 2.874 1.00 0.00 C ATOM 576 C PHE A 37 12.231 -29.494 2.634 1.00 0.00 C ATOM 577 O PHE A 37 11.529 -30.510 2.710 1.00 0.00 O ATOM 578 CB PHE A 37 11.238 -27.908 4.380 1.00 0.00 C ATOM 579 CG PHE A 37 12.448 -28.035 5.312 1.00 0.00 C ATOM 580 CD1 PHE A 37 13.405 -27.021 5.372 1.00 0.00 C ATOM 581 CD2 PHE A 37 12.639 -29.168 6.107 1.00 0.00 C ATOM 582 CE1 PHE A 37 14.509 -27.134 6.194 1.00 0.00 C ATOM 583 CE2 PHE A 37 13.746 -29.279 6.926 1.00 0.00 C ATOM 584 CZ PHE A 37 14.679 -28.261 6.970 1.00 0.00 C ATOM 0 H PHE A 37 9.500 -27.841 2.623 1.00 0.00 H new ATOM 0 HA PHE A 37 12.275 -27.331 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 37 10.790 -26.924 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.489 -28.643 4.674 1.00 0.00 H new ATOM 0 HD1 PHE A 37 13.280 -26.135 4.767 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.912 -29.967 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 37 15.239 -26.339 6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.882 -30.162 7.532 1.00 0.00 H new ATOM 0 HZ PHE A 37 15.542 -28.348 7.613 1.00 0.00 H new ATOM 594 N PRO A 38 13.582 -29.580 2.349 1.00 0.00 N ATOM 595 CA PRO A 38 14.503 -28.416 2.212 1.00 0.00 C ATOM 596 C PRO A 38 14.368 -27.670 0.849 1.00 0.00 C ATOM 597 O PRO A 38 14.073 -26.468 0.831 1.00 0.00 O ATOM 598 CB PRO A 38 15.901 -29.053 2.415 1.00 0.00 C ATOM 599 CG PRO A 38 15.754 -30.474 1.949 1.00 0.00 C ATOM 600 CD PRO A 38 14.306 -30.869 2.194 1.00 0.00 C ATOM 0 HA PRO A 38 14.284 -27.627 2.932 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.662 -28.526 1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.206 -29.010 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.005 -30.562 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.432 -31.132 2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.908 -31.449 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.210 -31.487 3.087 1.00 0.00 H new ATOM 608 N ALA A 39 14.553 -28.384 -0.278 1.00 0.00 N ATOM 609 CA ALA A 39 14.409 -27.811 -1.627 1.00 0.00 C ATOM 610 C ALA A 39 13.925 -28.907 -2.591 1.00 0.00 C ATOM 611 O ALA A 39 14.724 -29.546 -3.283 1.00 0.00 O ATOM 612 CB ALA A 39 15.737 -27.173 -2.098 1.00 0.00 C ATOM 0 H ALA A 39 14.806 -29.372 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 39 13.666 -27.013 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.606 -26.756 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.024 -26.379 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.518 -27.933 -2.121 1.00 0.00 H new ATOM 618 N THR A 40 12.607 -29.151 -2.578 1.00 0.00 N ATOM 619 CA THR A 40 11.964 -30.187 -3.404 1.00 0.00 C ATOM 620 C THR A 40 10.780 -29.585 -4.168 1.00 0.00 C ATOM 621 O THR A 40 9.757 -29.262 -3.560 1.00 0.00 O ATOM 622 CB THR A 40 11.473 -31.374 -2.510 1.00 0.00 C ATOM 623 OG1 THR A 40 12.583 -31.890 -1.755 1.00 0.00 O ATOM 624 CG2 THR A 40 10.835 -32.512 -3.339 1.00 0.00 C ATOM 0 H THR A 40 11.952 -28.633 -1.992 1.00 0.00 H new ATOM 0 HA THR A 40 12.695 -30.567 -4.117 1.00 0.00 H new ATOM 0 HB THR A 40 10.702 -30.988 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.279 -32.633 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.511 -33.311 -2.672 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.975 -32.125 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.568 -32.903 -4.044 1.00 0.00 H new ATOM 632 N LEU A 41 10.940 -29.422 -5.490 1.00 0.00 N ATOM 633 CA LEU A 41 9.880 -28.892 -6.353 1.00 0.00 C ATOM 634 C LEU A 41 8.702 -29.875 -6.394 1.00 0.00 C ATOM 635 O LEU A 41 8.776 -30.917 -7.052 1.00 0.00 O ATOM 636 CB LEU A 41 10.415 -28.633 -7.787 1.00 0.00 C ATOM 637 CG LEU A 41 9.409 -27.956 -8.776 1.00 0.00 C ATOM 638 CD1 LEU A 41 9.038 -26.526 -8.329 1.00 0.00 C ATOM 639 CD2 LEU A 41 9.950 -27.966 -10.221 1.00 0.00 C ATOM 0 H LEU A 41 11.801 -29.652 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 41 9.539 -27.942 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.303 -28.005 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.731 -29.585 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 41 8.494 -28.548 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.338 -26.092 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.575 -26.562 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.938 -25.913 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.228 -27.489 -10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.893 -27.421 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.112 -28.995 -10.542 1.00 0.00 H new ATOM 651 N LEU A 42 7.639 -29.550 -5.646 1.00 0.00 N ATOM 652 CA LEU A 42 6.394 -30.325 -5.654 1.00 0.00 C ATOM 653 C LEU A 42 5.559 -29.986 -6.890 1.00 0.00 C ATOM 654 O LEU A 42 4.753 -30.804 -7.332 1.00 0.00 O ATOM 655 CB LEU A 42 5.562 -30.057 -4.372 1.00 0.00 C ATOM 656 CG LEU A 42 6.248 -30.396 -3.013 1.00 0.00 C ATOM 657 CD1 LEU A 42 5.271 -30.191 -1.832 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.845 -31.823 -3.009 1.00 0.00 C ATOM 0 H LEU A 42 7.619 -28.745 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 42 6.661 -31.381 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.284 -29.003 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.637 -30.630 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 42 7.079 -29.702 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.775 -30.434 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.943 -29.152 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.406 -30.842 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.313 -32.019 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.051 -32.550 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.592 -31.907 -3.799 1.00 0.00 H new ATOM 670 N ALA A 43 5.753 -28.766 -7.434 1.00 0.00 N ATOM 671 CA ALA A 43 4.922 -28.262 -8.537 1.00 0.00 C ATOM 672 C ALA A 43 5.624 -27.161 -9.349 1.00 0.00 C ATOM 673 O ALA A 43 5.903 -26.090 -8.827 1.00 0.00 O ATOM 674 CB ALA A 43 3.623 -27.734 -7.944 1.00 0.00 C ATOM 0 H ALA A 43 6.477 -28.117 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 43 4.731 -29.080 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.987 -27.353 -8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.107 -28.540 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.844 -26.930 -7.242 1.00 0.00 H new ATOM 680 N GLY A 44 5.872 -27.437 -10.643 1.00 0.00 N ATOM 681 CA GLY A 44 6.523 -26.488 -11.561 1.00 0.00 C ATOM 682 C GLY A 44 5.527 -25.716 -12.423 1.00 0.00 C ATOM 683 O GLY A 44 5.844 -25.348 -13.562 1.00 0.00 O ATOM 0 H GLY A 44 5.626 -28.325 -11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.119 -25.782 -10.983 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.212 -27.031 -12.208 1.00 0.00 H new ATOM 687 N ASN A 45 4.368 -25.408 -11.820 1.00 0.00 N ATOM 688 CA ASN A 45 3.164 -24.817 -12.471 1.00 0.00 C ATOM 689 C ASN A 45 1.959 -25.004 -11.528 1.00 0.00 C ATOM 690 O ASN A 45 1.972 -25.896 -10.665 1.00 0.00 O ATOM 691 CB ASN A 45 2.825 -25.402 -13.884 1.00 0.00 C ATOM 692 CG ASN A 45 2.522 -26.900 -13.888 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.392 -27.318 -13.641 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.525 -27.714 -14.185 1.00 0.00 N ATOM 0 H ASN A 45 4.227 -25.567 -10.822 1.00 0.00 H new ATOM 0 HA ASN A 45 3.389 -23.765 -12.644 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.965 -24.868 -14.289 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.663 -25.211 -14.554 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.372 -28.722 -14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.450 -27.332 -14.385 1.00 0.00 H new ATOM 701 N ALA A 46 0.904 -24.198 -11.740 1.00 0.00 N ATOM 702 CA ALA A 46 -0.258 -24.116 -10.825 1.00 0.00 C ATOM 703 C ALA A 46 -1.128 -25.392 -10.836 1.00 0.00 C ATOM 704 O ALA A 46 -1.790 -25.695 -9.833 1.00 0.00 O ATOM 705 CB ALA A 46 -1.101 -22.879 -11.158 1.00 0.00 C ATOM 0 H ALA A 46 0.829 -23.583 -12.550 1.00 0.00 H new ATOM 0 HA ALA A 46 0.137 -24.026 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.953 -22.826 -10.481 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.492 -21.982 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.458 -22.948 -12.186 1.00 0.00 H new ATOM 711 N ALA A 47 -1.109 -26.143 -11.957 1.00 0.00 N ATOM 712 CA ALA A 47 -1.911 -27.380 -12.112 1.00 0.00 C ATOM 713 C ALA A 47 -1.486 -28.437 -11.091 1.00 0.00 C ATOM 714 O ALA A 47 -2.319 -29.132 -10.502 1.00 0.00 O ATOM 715 CB ALA A 47 -1.770 -27.954 -13.525 1.00 0.00 C ATOM 0 H ALA A 47 -0.544 -25.914 -12.775 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.954 -27.115 -11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.369 -28.861 -13.611 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.117 -27.220 -14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.724 -28.190 -13.719 1.00 0.00 H new ATOM 721 N GLU A 48 -0.169 -28.547 -10.901 1.00 0.00 N ATOM 722 CA GLU A 48 0.429 -29.481 -9.944 1.00 0.00 C ATOM 723 C GLU A 48 0.280 -28.958 -8.494 1.00 0.00 C ATOM 724 O GLU A 48 0.216 -29.754 -7.554 1.00 0.00 O ATOM 725 CB GLU A 48 1.907 -29.738 -10.301 1.00 0.00 C ATOM 726 CG GLU A 48 2.149 -30.141 -11.766 1.00 0.00 C ATOM 727 CD GLU A 48 3.607 -30.544 -12.029 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.457 -29.644 -12.161 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.912 -31.760 -12.081 1.00 0.00 O ATOM 0 H GLU A 48 0.516 -27.988 -11.409 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.104 -30.430 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.482 -28.837 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.293 -30.525 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.493 -30.972 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.882 -29.309 -12.418 1.00 0.00 H new ATOM 736 N ILE A 49 0.237 -27.610 -8.328 1.00 0.00 N ATOM 737 CA ILE A 49 0.059 -26.965 -7.001 1.00 0.00 C ATOM 738 C ILE A 49 -1.316 -27.314 -6.409 1.00 0.00 C ATOM 739 O ILE A 49 -1.399 -27.776 -5.261 1.00 0.00 O ATOM 740 CB ILE A 49 0.217 -25.392 -7.066 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.634 -25.006 -7.573 1.00 0.00 C ATOM 742 CG2 ILE A 49 -0.072 -24.716 -5.698 1.00 0.00 C ATOM 743 CD1 ILE A 49 1.901 -23.526 -7.714 1.00 0.00 C ATOM 0 H ILE A 49 0.323 -26.948 -9.099 1.00 0.00 H new ATOM 0 HA ILE A 49 0.849 -27.355 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.526 -25.023 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.371 -25.425 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.794 -25.479 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.049 -23.637 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.093 -24.941 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.625 -25.095 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.918 -23.372 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.196 -23.095 -8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.782 -23.041 -6.745 1.00 0.00 H new ATOM 755 N ARG A 50 -2.380 -27.110 -7.219 1.00 0.00 N ATOM 756 CA ARG A 50 -3.769 -27.325 -6.773 1.00 0.00 C ATOM 757 C ARG A 50 -3.984 -28.787 -6.355 1.00 0.00 C ATOM 758 O ARG A 50 -4.376 -29.032 -5.220 1.00 0.00 O ATOM 759 CB ARG A 50 -4.803 -26.869 -7.852 1.00 0.00 C ATOM 760 CG ARG A 50 -4.713 -27.594 -9.213 1.00 0.00 C ATOM 761 CD ARG A 50 -5.600 -26.982 -10.313 1.00 0.00 C ATOM 762 NE ARG A 50 -5.518 -27.751 -11.575 1.00 0.00 N ATOM 763 CZ ARG A 50 -5.836 -27.289 -12.803 1.00 0.00 C ATOM 764 NH1 ARG A 50 -6.215 -26.033 -12.988 1.00 0.00 N ATOM 765 NH2 ARG A 50 -5.747 -28.097 -13.848 1.00 0.00 N ATOM 0 H ARG A 50 -2.299 -26.796 -8.186 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.939 -26.700 -5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.806 -27.012 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.676 -25.800 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.676 -27.584 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.993 -28.638 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.635 -26.953 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.295 -25.951 -10.495 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.192 -28.716 -11.511 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.271 -25.395 -12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.451 -25.704 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.440 -29.061 -13.722 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.986 -27.755 -14.779 1.00 0.00 H new ATOM 779 N VAL A 51 -3.607 -29.748 -7.236 1.00 0.00 N ATOM 780 CA VAL A 51 -3.876 -31.189 -7.014 1.00 0.00 C ATOM 781 C VAL A 51 -3.141 -31.737 -5.779 1.00 0.00 C ATOM 782 O VAL A 51 -3.710 -32.526 -5.020 1.00 0.00 O ATOM 783 CB VAL A 51 -3.531 -32.062 -8.276 1.00 0.00 C ATOM 784 CG1 VAL A 51 -4.408 -31.657 -9.485 1.00 0.00 C ATOM 785 CG2 VAL A 51 -2.026 -31.996 -8.645 1.00 0.00 C ATOM 0 H VAL A 51 -3.115 -29.549 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.948 -31.263 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.753 -33.097 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.150 -32.275 -10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.459 -31.801 -9.236 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.233 -30.609 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.839 -32.615 -9.522 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.750 -30.964 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.430 -32.362 -7.809 1.00 0.00 H new ATOM 795 N ARG A 52 -1.898 -31.264 -5.573 1.00 0.00 N ATOM 796 CA ARG A 52 -1.059 -31.658 -4.428 1.00 0.00 C ATOM 797 C ARG A 52 -1.732 -31.245 -3.101 1.00 0.00 C ATOM 798 O ARG A 52 -1.682 -31.975 -2.105 1.00 0.00 O ATOM 799 CB ARG A 52 0.339 -31.004 -4.554 1.00 0.00 C ATOM 800 CG ARG A 52 1.372 -31.394 -3.462 1.00 0.00 C ATOM 801 CD ARG A 52 2.194 -32.660 -3.818 1.00 0.00 C ATOM 802 NE ARG A 52 1.398 -33.908 -3.868 1.00 0.00 N ATOM 803 CZ ARG A 52 1.907 -35.137 -4.090 1.00 0.00 C ATOM 804 NH1 ARG A 52 3.204 -35.322 -4.292 1.00 0.00 N ATOM 805 NH2 ARG A 52 1.100 -36.180 -4.098 1.00 0.00 N ATOM 0 H ARG A 52 -1.447 -30.596 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.943 -32.742 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.754 -31.264 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.215 -29.921 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.055 -30.559 -3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.849 -31.562 -2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.672 -32.509 -4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.991 -32.780 -3.084 1.00 0.00 H new ATOM 0 HE ARG A 52 0.391 -33.832 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.841 -34.525 -4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.565 -36.261 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.101 -36.053 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.475 -37.114 -4.265 1.00 0.00 H new ATOM 819 N HIS A 53 -2.369 -30.061 -3.122 1.00 0.00 N ATOM 820 CA HIS A 53 -3.095 -29.519 -1.963 1.00 0.00 C ATOM 821 C HIS A 53 -4.473 -30.175 -1.785 1.00 0.00 C ATOM 822 O HIS A 53 -4.891 -30.370 -0.654 1.00 0.00 O ATOM 823 CB HIS A 53 -3.214 -27.984 -2.069 1.00 0.00 C ATOM 824 CG HIS A 53 -1.906 -27.274 -1.865 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.311 -26.486 -2.823 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.088 -27.232 -0.785 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.194 -25.982 -2.344 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.033 -26.420 -1.110 1.00 0.00 N ATOM 0 H HIS A 53 -2.394 -29.455 -3.942 1.00 0.00 H new ATOM 0 HA HIS A 53 -2.516 -29.759 -1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.612 -27.724 -3.050 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.932 -27.630 -1.329 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.679 -26.318 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.239 -27.742 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.478 -25.321 -2.872 1.00 0.00 H new ATOM 837 N ILE A 54 -5.153 -30.538 -2.899 1.00 0.00 N ATOM 838 CA ILE A 54 -6.480 -31.206 -2.858 1.00 0.00 C ATOM 839 C ILE A 54 -6.398 -32.506 -2.021 1.00 0.00 C ATOM 840 O ILE A 54 -7.287 -32.792 -1.208 1.00 0.00 O ATOM 841 CB ILE A 54 -7.008 -31.523 -4.316 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.261 -30.209 -5.118 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.287 -32.388 -4.299 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.596 -30.402 -6.591 1.00 0.00 C ATOM 0 H ILE A 54 -4.803 -30.379 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.187 -30.524 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.226 -32.097 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.078 -29.665 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.374 -29.580 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.611 -32.579 -5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.079 -33.335 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.075 -31.861 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.754 -29.430 -7.059 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.772 -30.914 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.503 -31.000 -6.683 1.00 0.00 H new ATOM 856 N GLU A 55 -5.278 -33.230 -2.200 1.00 0.00 N ATOM 857 CA GLU A 55 -4.957 -34.459 -1.448 1.00 0.00 C ATOM 858 C GLU A 55 -4.850 -34.185 0.071 1.00 0.00 C ATOM 859 O GLU A 55 -5.328 -34.975 0.888 1.00 0.00 O ATOM 860 CB GLU A 55 -3.629 -35.059 -1.986 1.00 0.00 C ATOM 861 CG GLU A 55 -3.656 -35.401 -3.488 1.00 0.00 C ATOM 862 CD GLU A 55 -2.280 -35.805 -4.036 1.00 0.00 C ATOM 863 OE1 GLU A 55 -1.454 -34.911 -4.287 1.00 0.00 O ATOM 864 OE2 GLU A 55 -2.006 -37.014 -4.205 1.00 0.00 O ATOM 0 H GLU A 55 -4.561 -32.975 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.767 -35.174 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.821 -34.351 -1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.397 -35.963 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.361 -36.215 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.024 -34.539 -4.045 1.00 0.00 H new ATOM 871 N ARG A 56 -4.227 -33.054 0.432 1.00 0.00 N ATOM 872 CA ARG A 56 -4.089 -32.641 1.852 1.00 0.00 C ATOM 873 C ARG A 56 -5.433 -32.125 2.424 1.00 0.00 C ATOM 874 O ARG A 56 -5.707 -32.292 3.621 1.00 0.00 O ATOM 875 CB ARG A 56 -2.943 -31.595 2.000 1.00 0.00 C ATOM 876 CG ARG A 56 -2.702 -31.039 3.433 1.00 0.00 C ATOM 877 CD ARG A 56 -2.566 -32.128 4.530 1.00 0.00 C ATOM 878 NE ARG A 56 -1.460 -33.080 4.296 1.00 0.00 N ATOM 879 CZ ARG A 56 -0.955 -33.918 5.229 1.00 0.00 C ATOM 880 NH1 ARG A 56 -1.437 -33.929 6.471 1.00 0.00 N ATOM 881 NH2 ARG A 56 0.023 -34.749 4.909 1.00 0.00 N ATOM 0 H ARG A 56 -3.808 -32.404 -0.233 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.818 -33.515 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.017 -32.049 1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.157 -30.756 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.796 -30.432 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.527 -30.377 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.416 -31.642 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.502 -32.683 4.595 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.048 -33.107 3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.197 -33.300 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.046 -34.567 7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.395 -34.757 3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.405 -35.382 5.612 1.00 0.00 H new ATOM 895 N PHE A 57 -6.286 -31.555 1.560 1.00 0.00 N ATOM 896 CA PHE A 57 -7.614 -31.033 1.962 1.00 0.00 C ATOM 897 C PHE A 57 -8.619 -32.183 2.246 1.00 0.00 C ATOM 898 O PHE A 57 -9.749 -31.924 2.678 1.00 0.00 O ATOM 899 CB PHE A 57 -8.157 -30.039 0.885 1.00 0.00 C ATOM 900 CG PHE A 57 -7.580 -28.612 0.948 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.213 -28.379 1.098 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.415 -27.501 0.833 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.709 -27.098 1.136 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.907 -26.214 0.870 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.556 -26.014 1.017 1.00 0.00 C ATOM 0 H PHE A 57 -6.083 -31.440 0.567 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.496 -30.484 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.951 -30.452 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.241 -29.979 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.538 -29.218 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.478 -27.648 0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.648 -26.941 1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.572 -25.368 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.157 -25.011 1.039 1.00 0.00 H new ATOM 915 N LYS A 58 -8.206 -33.447 2.005 1.00 0.00 N ATOM 916 CA LYS A 58 -9.001 -34.638 2.376 1.00 0.00 C ATOM 917 C LYS A 58 -8.948 -34.886 3.895 1.00 0.00 C ATOM 918 O LYS A 58 -9.946 -35.313 4.490 1.00 0.00 O ATOM 919 CB LYS A 58 -8.504 -35.893 1.607 1.00 0.00 C ATOM 920 CG LYS A 58 -8.442 -35.713 0.075 1.00 0.00 C ATOM 921 CD LYS A 58 -9.773 -35.215 -0.532 1.00 0.00 C ATOM 922 CE LYS A 58 -9.672 -34.955 -2.037 1.00 0.00 C ATOM 923 NZ LYS A 58 -10.953 -34.457 -2.596 1.00 0.00 N ATOM 0 H LYS A 58 -7.320 -33.669 1.552 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.037 -34.448 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.511 -36.159 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.163 -36.731 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.651 -35.005 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.173 -36.663 -0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.552 -35.954 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.077 -34.298 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.884 -34.226 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.386 -35.875 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.845 -34.292 -3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.700 -35.163 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.213 -33.566 -2.127 1.00 0.00 H new ATOM 937 N GLU A 59 -7.773 -34.613 4.507 1.00 0.00 N ATOM 938 CA GLU A 59 -7.545 -34.799 5.958 1.00 0.00 C ATOM 939 C GLU A 59 -8.547 -33.957 6.788 1.00 0.00 C ATOM 940 O GLU A 59 -8.517 -32.729 6.710 1.00 0.00 O ATOM 941 CB GLU A 59 -6.068 -34.440 6.328 1.00 0.00 C ATOM 942 CG GLU A 59 -5.014 -35.541 6.028 1.00 0.00 C ATOM 943 CD GLU A 59 -4.880 -35.933 4.541 1.00 0.00 C ATOM 944 OE1 GLU A 59 -5.635 -36.821 4.074 1.00 0.00 O ATOM 945 OE2 GLU A 59 -4.018 -35.366 3.838 1.00 0.00 O ATOM 0 H GLU A 59 -6.957 -34.258 4.009 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.713 -35.848 6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.787 -33.536 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.026 -34.202 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.043 -35.199 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.270 -36.432 6.601 1.00 0.00 H new ATOM 952 N PRO A 60 -9.461 -34.598 7.592 1.00 0.00 N ATOM 953 CA PRO A 60 -10.463 -33.863 8.402 1.00 0.00 C ATOM 954 C PRO A 60 -9.822 -33.093 9.579 1.00 0.00 C ATOM 955 O PRO A 60 -10.367 -32.091 10.043 1.00 0.00 O ATOM 956 CB PRO A 60 -11.414 -34.985 8.889 1.00 0.00 C ATOM 957 CG PRO A 60 -10.559 -36.216 8.927 1.00 0.00 C ATOM 958 CD PRO A 60 -9.594 -36.077 7.769 1.00 0.00 C ATOM 0 HA PRO A 60 -10.975 -33.087 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.825 -34.757 9.873 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.259 -35.110 8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.026 -36.294 9.874 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.164 -37.117 8.827 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.633 -36.541 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.979 -36.555 6.868 1.00 0.00 H new ATOM 966 N ASP A 61 -8.646 -33.574 10.025 1.00 0.00 N ATOM 967 CA ASP A 61 -7.856 -32.945 11.105 1.00 0.00 C ATOM 968 C ASP A 61 -7.046 -31.739 10.590 1.00 0.00 C ATOM 969 O ASP A 61 -6.447 -31.022 11.397 1.00 0.00 O ATOM 970 CB ASP A 61 -6.910 -33.988 11.763 1.00 0.00 C ATOM 971 CG ASP A 61 -7.673 -35.134 12.444 1.00 0.00 C ATOM 972 OD1 ASP A 61 -8.169 -36.037 11.732 1.00 0.00 O ATOM 973 OD2 ASP A 61 -7.817 -35.124 13.685 1.00 0.00 O ATOM 0 H ASP A 61 -8.213 -34.416 9.645 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.557 -32.578 11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.246 -34.400 11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.281 -33.488 12.499 1.00 0.00 H new ATOM 978 N LEU A 62 -7.029 -31.524 9.252 1.00 0.00 N ATOM 979 CA LEU A 62 -6.347 -30.370 8.646 1.00 0.00 C ATOM 980 C LEU A 62 -7.015 -29.059 9.083 1.00 0.00 C ATOM 981 O LEU A 62 -8.211 -28.855 8.854 1.00 0.00 O ATOM 982 CB LEU A 62 -6.355 -30.437 7.094 1.00 0.00 C ATOM 983 CG LEU A 62 -5.696 -29.211 6.370 1.00 0.00 C ATOM 984 CD1 LEU A 62 -4.174 -29.161 6.620 1.00 0.00 C ATOM 985 CD2 LEU A 62 -6.037 -29.180 4.862 1.00 0.00 C ATOM 0 H LEU A 62 -7.482 -32.140 8.577 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.314 -30.400 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.837 -31.344 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.387 -30.527 6.755 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.124 -28.308 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.749 -28.300 6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.984 -29.074 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.713 -30.074 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.561 -28.316 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.673 -30.092 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.117 -29.111 4.735 1.00 0.00 H new ATOM 997 N TYR A 63 -6.235 -28.192 9.729 1.00 0.00 N ATOM 998 CA TYR A 63 -6.644 -26.816 10.012 1.00 0.00 C ATOM 999 C TYR A 63 -5.388 -25.942 10.071 1.00 0.00 C ATOM 1000 O TYR A 63 -4.543 -26.132 10.951 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.438 -26.764 11.346 1.00 0.00 C ATOM 1002 CG TYR A 63 -8.024 -25.388 11.696 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -9.097 -24.860 10.973 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -7.518 -24.626 12.755 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.637 -23.631 11.288 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -8.061 -23.397 13.073 1.00 0.00 C ATOM 1007 CZ TYR A 63 -9.117 -22.906 12.340 1.00 0.00 C ATOM 1008 OH TYR A 63 -9.663 -21.683 12.666 1.00 0.00 O ATOM 0 H TYR A 63 -5.302 -28.424 10.071 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.300 -26.441 9.227 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.252 -27.487 11.296 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.780 -27.079 12.156 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.511 -25.426 10.152 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.689 -25.006 13.333 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.463 -23.238 10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.658 -22.823 13.894 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.182 -21.304 13.431 1.00 0.00 H new ATOM 1018 N GLY A 64 -5.276 -24.992 9.130 1.00 0.00 N ATOM 1019 CA GLY A 64 -4.167 -24.043 9.114 1.00 0.00 C ATOM 1020 C GLY A 64 -4.584 -22.738 9.749 1.00 0.00 C ATOM 1021 O GLY A 64 -5.313 -21.952 9.132 1.00 0.00 O ATOM 0 H GLY A 64 -5.945 -24.866 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.315 -24.460 9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.843 -23.869 8.088 1.00 0.00 H new ATOM 1025 N GLU A 65 -4.146 -22.523 10.999 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.455 -21.309 11.763 1.00 0.00 C ATOM 1027 C GLU A 65 -3.249 -20.373 11.716 1.00 0.00 C ATOM 1028 O GLU A 65 -2.208 -20.678 12.309 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.806 -21.654 13.234 1.00 0.00 C ATOM 1030 CG GLU A 65 -5.255 -20.435 14.080 1.00 0.00 C ATOM 1031 CD GLU A 65 -5.596 -20.791 15.536 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -6.655 -21.412 15.770 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -4.812 -20.454 16.452 1.00 0.00 O ATOM 0 H GLU A 65 -3.566 -23.190 11.508 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.322 -20.820 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.601 -22.400 13.241 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.936 -22.110 13.707 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.463 -19.687 14.073 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.128 -19.979 13.612 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.386 -19.250 10.990 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.322 -18.251 10.890 1.00 0.00 C ATOM 1042 C LEU A 66 -2.097 -17.585 12.249 1.00 0.00 C ATOM 1043 O LEU A 66 -3.049 -17.295 12.986 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.624 -17.174 9.827 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.418 -16.225 9.502 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.403 -16.898 8.552 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.900 -14.868 8.951 1.00 0.00 C ATOM 0 H LEU A 66 -4.228 -19.016 10.464 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.419 -18.775 10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.940 -17.667 8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.464 -16.569 10.169 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.898 -16.028 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.418 -16.210 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.012 -17.802 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.897 -17.157 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.038 -14.236 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.469 -15.029 8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.534 -14.379 9.691 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.829 -17.351 12.557 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.386 -16.780 13.833 1.00 0.00 C ATOM 1061 C LEU A 67 0.054 -15.341 13.578 1.00 0.00 C ATOM 1062 O LEU A 67 -0.376 -14.392 14.235 1.00 0.00 O ATOM 1063 CB LEU A 67 0.813 -17.619 14.348 1.00 0.00 C ATOM 1064 CG LEU A 67 0.691 -19.155 14.113 1.00 0.00 C ATOM 1065 CD1 LEU A 67 2.054 -19.837 14.228 1.00 0.00 C ATOM 1066 CD2 LEU A 67 -0.362 -19.791 15.041 1.00 0.00 C ATOM 0 H LEU A 67 -0.060 -17.555 11.918 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.184 -16.793 14.575 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.721 -17.263 13.862 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.931 -17.438 15.416 1.00 0.00 H new ATOM 0 HG LEU A 67 0.338 -19.311 13.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.940 -20.908 14.060 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.732 -19.422 13.482 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.463 -19.668 15.224 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.418 -20.862 14.847 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.079 -19.624 16.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.335 -19.337 14.853 1.00 0.00 H new ATOM 1078 N THR A 68 0.924 -15.231 12.567 1.00 0.00 N ATOM 1079 CA THR A 68 1.625 -14.004 12.193 1.00 0.00 C ATOM 1080 C THR A 68 1.998 -14.074 10.704 1.00 0.00 C ATOM 1081 O THR A 68 2.368 -15.138 10.215 1.00 0.00 O ATOM 1082 CB THR A 68 2.924 -13.842 13.065 1.00 0.00 C ATOM 1083 OG1 THR A 68 2.564 -13.590 14.432 1.00 0.00 O ATOM 1084 CG2 THR A 68 3.861 -12.729 12.566 1.00 0.00 C ATOM 0 H THR A 68 1.165 -16.022 11.969 1.00 0.00 H new ATOM 0 HA THR A 68 0.978 -13.145 12.368 1.00 0.00 H new ATOM 0 HB THR A 68 3.474 -14.779 12.979 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.376 -13.492 14.971 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.736 -12.673 13.213 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.177 -12.950 11.547 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.334 -11.775 12.584 1.00 0.00 H new ATOM 1092 N ARG A 69 1.884 -12.942 9.995 1.00 0.00 N ATOM 1093 CA ARG A 69 2.421 -12.795 8.637 1.00 0.00 C ATOM 1094 C ARG A 69 3.148 -11.445 8.518 1.00 0.00 C ATOM 1095 O ARG A 69 2.571 -10.385 8.793 1.00 0.00 O ATOM 1096 CB ARG A 69 1.323 -12.967 7.547 1.00 0.00 C ATOM 1097 CG ARG A 69 0.152 -11.971 7.623 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.844 -12.139 6.462 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.935 -11.146 6.523 1.00 0.00 N ATOM 1100 CZ ARG A 69 -1.869 -9.902 6.012 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -0.797 -9.496 5.331 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -2.886 -9.074 6.176 1.00 0.00 N ATOM 0 H ARG A 69 1.418 -12.105 10.347 1.00 0.00 H new ATOM 0 HA ARG A 69 3.139 -13.596 8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.791 -12.876 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.922 -13.978 7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.373 -12.104 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.544 -10.954 7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.316 -12.040 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.266 -13.144 6.488 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.801 -11.422 6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.011 -10.131 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.763 -8.550 4.950 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.714 -9.379 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.842 -8.130 5.791 1.00 0.00 H new ATOM 1116 N VAL A 70 4.443 -11.499 8.163 1.00 0.00 N ATOM 1117 CA VAL A 70 5.288 -10.302 7.982 1.00 0.00 C ATOM 1118 C VAL A 70 5.556 -10.108 6.482 1.00 0.00 C ATOM 1119 O VAL A 70 5.823 -11.074 5.774 1.00 0.00 O ATOM 1120 CB VAL A 70 6.637 -10.401 8.815 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.337 -10.639 10.314 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.601 -11.488 8.281 1.00 0.00 C ATOM 0 H VAL A 70 4.936 -12.375 7.993 1.00 0.00 H new ATOM 0 HA VAL A 70 4.761 -9.429 8.367 1.00 0.00 H new ATOM 0 HB VAL A 70 7.144 -9.444 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.274 -10.704 10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.743 -9.811 10.702 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.782 -11.570 10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.503 -11.506 8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.113 -12.461 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.867 -11.263 7.248 1.00 0.00 H new ATOM 1132 N ILE A 71 5.456 -8.870 5.987 1.00 0.00 N ATOM 1133 CA ILE A 71 5.601 -8.574 4.546 1.00 0.00 C ATOM 1134 C ILE A 71 6.763 -7.588 4.304 1.00 0.00 C ATOM 1135 O ILE A 71 6.859 -6.538 4.950 1.00 0.00 O ATOM 1136 CB ILE A 71 4.257 -8.042 3.912 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.464 -7.697 2.402 1.00 0.00 C ATOM 1138 CG2 ILE A 71 3.674 -6.846 4.705 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.213 -7.286 1.672 1.00 0.00 C ATOM 0 H ILE A 71 5.274 -8.048 6.562 1.00 0.00 H new ATOM 0 HA ILE A 71 5.838 -9.511 4.043 1.00 0.00 H new ATOM 0 HB ILE A 71 3.518 -8.840 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.194 -6.892 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.892 -8.565 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.750 -6.512 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.467 -7.155 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.394 -6.028 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.454 -7.066 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.485 -8.097 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.793 -6.397 2.143 1.00 0.00 H new ATOM 1151 N VAL A 72 7.641 -7.965 3.361 1.00 0.00 N ATOM 1152 CA VAL A 72 8.803 -7.180 2.937 1.00 0.00 C ATOM 1153 C VAL A 72 8.793 -7.088 1.386 1.00 0.00 C ATOM 1154 O VAL A 72 9.157 -8.041 0.679 1.00 0.00 O ATOM 1155 CB VAL A 72 10.139 -7.802 3.520 1.00 0.00 C ATOM 1156 CG1 VAL A 72 10.215 -9.341 3.302 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.399 -7.079 2.968 1.00 0.00 C ATOM 0 H VAL A 72 7.556 -8.850 2.861 1.00 0.00 H new ATOM 0 HA VAL A 72 8.752 -6.166 3.335 1.00 0.00 H new ATOM 0 HB VAL A 72 10.118 -7.638 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.148 -9.722 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.373 -9.821 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.178 -9.560 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.294 -7.534 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.424 -7.170 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.363 -6.025 3.243 1.00 0.00 H new ATOM 1167 N GLY A 73 8.299 -5.940 0.876 1.00 0.00 N ATOM 1168 CA GLY A 73 8.173 -5.699 -0.566 1.00 0.00 C ATOM 1169 C GLY A 73 7.121 -6.596 -1.222 1.00 0.00 C ATOM 1170 O GLY A 73 5.975 -6.648 -0.759 1.00 0.00 O ATOM 0 H GLY A 73 7.980 -5.162 1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.911 -4.655 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.138 -5.867 -1.045 1.00 0.00 H new ATOM 1174 N ASN A 74 7.523 -7.332 -2.276 1.00 0.00 N ATOM 1175 CA ASN A 74 6.626 -8.243 -3.020 1.00 0.00 C ATOM 1176 C ASN A 74 6.660 -9.677 -2.449 1.00 0.00 C ATOM 1177 O ASN A 74 6.209 -10.624 -3.097 1.00 0.00 O ATOM 1178 CB ASN A 74 6.986 -8.251 -4.533 1.00 0.00 C ATOM 1179 CG ASN A 74 8.358 -8.862 -4.862 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.326 -8.706 -4.110 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.444 -9.586 -5.975 1.00 0.00 N ATOM 0 H ASN A 74 8.477 -7.313 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 74 5.610 -7.867 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.218 -8.805 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.961 -7.226 -4.904 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.327 -10.030 -6.227 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.627 -9.697 -6.576 1.00 0.00 H new ATOM 1188 N VAL A 75 7.152 -9.815 -1.209 1.00 0.00 N ATOM 1189 CA VAL A 75 7.353 -11.115 -0.536 1.00 0.00 C ATOM 1190 C VAL A 75 6.666 -11.100 0.846 1.00 0.00 C ATOM 1191 O VAL A 75 6.781 -10.115 1.574 1.00 0.00 O ATOM 1192 CB VAL A 75 8.897 -11.397 -0.375 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.166 -12.633 0.508 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.590 -11.544 -1.759 1.00 0.00 C ATOM 0 H VAL A 75 7.426 -9.018 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 75 6.910 -11.907 -1.140 1.00 0.00 H new ATOM 0 HB VAL A 75 9.329 -10.533 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.241 -12.792 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.743 -12.471 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.704 -13.511 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.653 -11.738 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.141 -12.374 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.463 -10.624 -2.329 1.00 0.00 H new ATOM 1204 N VAL A 76 5.943 -12.191 1.200 1.00 0.00 N ATOM 1205 CA VAL A 76 5.317 -12.347 2.536 1.00 0.00 C ATOM 1206 C VAL A 76 5.777 -13.674 3.177 1.00 0.00 C ATOM 1207 O VAL A 76 5.908 -14.690 2.493 1.00 0.00 O ATOM 1208 CB VAL A 76 3.735 -12.332 2.483 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.110 -12.234 3.905 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.200 -11.201 1.584 1.00 0.00 C ATOM 0 H VAL A 76 5.779 -12.980 0.575 1.00 0.00 H new ATOM 0 HA VAL A 76 5.638 -11.492 3.131 1.00 0.00 H new ATOM 0 HB VAL A 76 3.433 -13.283 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.023 -12.226 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.424 -13.091 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.445 -11.315 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.110 -11.227 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.537 -10.239 1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.574 -11.336 0.569 1.00 0.00 H new ATOM 1220 N ILE A 77 6.044 -13.621 4.485 1.00 0.00 N ATOM 1221 CA ILE A 77 6.234 -14.786 5.351 1.00 0.00 C ATOM 1222 C ILE A 77 4.908 -15.024 6.083 1.00 0.00 C ATOM 1223 O ILE A 77 4.557 -14.259 6.984 1.00 0.00 O ATOM 1224 CB ILE A 77 7.370 -14.496 6.415 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.781 -14.414 5.757 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.359 -15.501 7.605 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.390 -15.757 5.419 1.00 0.00 C ATOM 0 H ILE A 77 6.137 -12.737 4.986 1.00 0.00 H new ATOM 0 HA ILE A 77 6.526 -15.655 4.762 1.00 0.00 H new ATOM 0 HB ILE A 77 7.142 -13.515 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.710 -13.821 4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.453 -13.883 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.160 -15.250 8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.400 -15.444 8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.509 -16.513 7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.370 -15.608 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.497 -16.347 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.742 -16.284 4.719 1.00 0.00 H new ATOM 1239 N ASP A 78 4.157 -16.035 5.661 1.00 0.00 N ATOM 1240 CA ASP A 78 2.940 -16.469 6.356 1.00 0.00 C ATOM 1241 C ASP A 78 3.302 -17.610 7.296 1.00 0.00 C ATOM 1242 O ASP A 78 3.572 -18.730 6.856 1.00 0.00 O ATOM 1243 CB ASP A 78 1.854 -16.902 5.340 1.00 0.00 C ATOM 1244 CG ASP A 78 1.357 -15.723 4.491 1.00 0.00 C ATOM 1245 OD1 ASP A 78 2.028 -15.381 3.497 1.00 0.00 O ATOM 1246 OD2 ASP A 78 0.316 -15.115 4.838 1.00 0.00 O ATOM 0 H ASP A 78 4.371 -16.581 4.826 1.00 0.00 H new ATOM 0 HA ASP A 78 2.527 -15.642 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.257 -17.675 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.013 -17.344 5.875 1.00 0.00 H new ATOM 1251 N HIS A 79 3.351 -17.299 8.594 1.00 0.00 N ATOM 1252 CA HIS A 79 3.666 -18.270 9.636 1.00 0.00 C ATOM 1253 C HIS A 79 2.352 -18.718 10.283 1.00 0.00 C ATOM 1254 O HIS A 79 1.727 -17.965 11.044 1.00 0.00 O ATOM 1255 CB HIS A 79 4.642 -17.649 10.676 1.00 0.00 C ATOM 1256 CG HIS A 79 5.104 -18.617 11.741 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.958 -18.383 13.091 1.00 0.00 N ATOM 1258 CD2 HIS A 79 5.733 -19.814 11.641 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.472 -19.388 13.771 1.00 0.00 C ATOM 1260 NE2 HIS A 79 5.950 -20.268 12.916 1.00 0.00 N ATOM 0 H HIS A 79 3.172 -16.360 8.950 1.00 0.00 H new ATOM 0 HA HIS A 79 4.169 -19.139 9.212 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.514 -17.258 10.152 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.153 -16.802 11.157 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.011 -20.316 10.726 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.497 -19.475 14.847 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.408 -21.146 13.163 1.00 0.00 H new ATOM 1269 N GLU A 80 1.947 -19.944 9.947 1.00 0.00 N ATOM 1270 CA GLU A 80 0.705 -20.589 10.420 1.00 0.00 C ATOM 1271 C GLU A 80 1.040 -21.893 11.152 1.00 0.00 C ATOM 1272 O GLU A 80 2.192 -22.315 11.191 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.323 -20.835 9.244 1.00 0.00 C ATOM 1274 CG GLU A 80 0.262 -21.020 7.825 1.00 0.00 C ATOM 1275 CD GLU A 80 1.325 -22.128 7.711 1.00 0.00 C ATOM 1276 OE1 GLU A 80 1.014 -23.302 8.025 1.00 0.00 O ATOM 1277 OE2 GLU A 80 2.471 -21.816 7.341 1.00 0.00 O ATOM 0 H GLU A 80 2.486 -20.540 9.319 1.00 0.00 H new ATOM 0 HA GLU A 80 0.217 -19.910 11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.909 -21.722 9.487 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.015 -19.993 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.553 -21.244 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.703 -20.077 7.502 1.00 0.00 H new ATOM 1284 N THR A 81 0.025 -22.478 11.786 1.00 0.00 N ATOM 1285 CA THR A 81 0.101 -23.801 12.399 1.00 0.00 C ATOM 1286 C THR A 81 -0.903 -24.727 11.708 1.00 0.00 C ATOM 1287 O THR A 81 -2.117 -24.575 11.897 1.00 0.00 O ATOM 1288 CB THR A 81 -0.194 -23.738 13.932 1.00 0.00 C ATOM 1289 OG1 THR A 81 0.794 -22.914 14.570 1.00 0.00 O ATOM 1290 CG2 THR A 81 -0.202 -25.135 14.584 1.00 0.00 C ATOM 0 H THR A 81 -0.889 -22.037 11.889 1.00 0.00 H new ATOM 0 HA THR A 81 1.113 -24.186 12.275 1.00 0.00 H new ATOM 0 HB THR A 81 -1.189 -23.313 14.062 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.658 -23.034 14.124 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.411 -25.038 15.649 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.972 -25.750 14.117 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.771 -25.606 14.447 1.00 0.00 H new ATOM 1298 N VAL A 82 -0.400 -25.651 10.874 1.00 0.00 N ATOM 1299 CA VAL A 82 -1.223 -26.720 10.302 1.00 0.00 C ATOM 1300 C VAL A 82 -1.344 -27.860 11.317 1.00 0.00 C ATOM 1301 O VAL A 82 -0.342 -28.382 11.832 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.680 -27.258 8.924 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.787 -26.166 7.838 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.767 -27.804 9.033 1.00 0.00 C ATOM 0 H VAL A 82 0.577 -25.676 10.582 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.205 -26.297 10.090 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.308 -28.100 8.632 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.408 -26.554 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.830 -25.874 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.199 -25.298 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.095 -28.163 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.432 -27.008 9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.793 -28.625 9.749 1.00 0.00 H new ATOM 1314 N THR A 83 -2.587 -28.202 11.636 1.00 0.00 N ATOM 1315 CA THR A 83 -2.894 -29.300 12.533 1.00 0.00 C ATOM 1316 C THR A 83 -2.866 -30.610 11.734 1.00 0.00 C ATOM 1317 O THR A 83 -3.592 -30.761 10.743 1.00 0.00 O ATOM 1318 CB THR A 83 -4.281 -29.084 13.215 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.315 -27.779 13.828 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.583 -30.165 14.278 1.00 0.00 C ATOM 0 H THR A 83 -3.411 -27.721 11.276 1.00 0.00 H new ATOM 0 HA THR A 83 -2.149 -29.347 13.327 1.00 0.00 H new ATOM 0 HB THR A 83 -5.046 -29.161 12.443 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.186 -27.641 14.255 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.558 -29.973 14.725 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.587 -31.148 13.807 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.817 -30.137 15.053 1.00 0.00 H new ATOM 1328 N ARG A 84 -1.970 -31.512 12.141 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.827 -32.849 11.561 1.00 0.00 C ATOM 1330 C ARG A 84 -2.099 -33.857 12.687 1.00 0.00 C ATOM 1331 O ARG A 84 -2.722 -33.488 13.691 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.411 -33.006 10.925 1.00 0.00 C ATOM 1333 CG ARG A 84 -0.086 -31.932 9.855 1.00 0.00 C ATOM 1334 CD ARG A 84 1.233 -32.181 9.103 1.00 0.00 C ATOM 1335 NE ARG A 84 2.416 -32.190 9.989 1.00 0.00 N ATOM 1336 CZ ARG A 84 3.691 -32.102 9.564 1.00 0.00 C ATOM 1337 NH1 ARG A 84 3.973 -31.901 8.284 1.00 0.00 N ATOM 1338 NH2 ARG A 84 4.685 -32.196 10.430 1.00 0.00 N ATOM 0 H ARG A 84 -1.311 -31.330 12.898 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.536 -33.024 10.752 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.339 -32.959 11.714 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.334 -33.994 10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.902 -31.893 9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.039 -30.955 10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.171 -33.136 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.362 -31.410 8.344 1.00 0.00 H new ATOM 0 HE ARG A 84 2.255 -32.268 10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.218 -31.810 7.604 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.944 -31.837 7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.487 -32.335 11.421 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.650 -32.129 10.108 1.00 0.00 H new ATOM 1352 N ASN A 85 -1.666 -35.118 12.543 1.00 0.00 N ATOM 1353 CA ASN A 85 -1.958 -36.156 13.549 1.00 0.00 C ATOM 1354 C ASN A 85 -0.727 -37.049 13.767 1.00 0.00 C ATOM 1355 O ASN A 85 -0.320 -37.784 12.861 1.00 0.00 O ATOM 1356 CB ASN A 85 -3.200 -36.970 13.100 1.00 0.00 C ATOM 1357 CG ASN A 85 -3.752 -37.857 14.209 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -3.487 -39.056 14.259 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -4.486 -37.253 15.133 1.00 0.00 N ATOM 0 H ASN A 85 -1.117 -35.444 11.748 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.188 -35.691 14.508 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.979 -36.284 12.767 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.934 -37.589 12.243 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.853 -37.786 15.922 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.684 -36.255 15.055 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.115 -36.946 14.964 1.00 0.00 N ATOM 1367 CA PHE A 86 1.107 -37.701 15.332 1.00 0.00 C ATOM 1368 C PHE A 86 0.767 -38.785 16.381 1.00 0.00 C ATOM 1369 O PHE A 86 -0.181 -38.610 17.153 1.00 0.00 O ATOM 1370 CB PHE A 86 2.196 -36.733 15.893 1.00 0.00 C ATOM 1371 CG PHE A 86 2.793 -35.715 14.909 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.519 -35.761 13.540 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.631 -34.692 15.372 1.00 0.00 C ATOM 1374 CE1 PHE A 86 3.055 -34.829 12.677 1.00 0.00 C ATOM 1375 CE2 PHE A 86 4.166 -33.761 14.499 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.876 -33.831 13.156 1.00 0.00 C ATOM 0 H PHE A 86 -0.453 -36.335 15.708 1.00 0.00 H new ATOM 0 HA PHE A 86 1.499 -38.186 14.438 1.00 0.00 H new ATOM 0 HB2 PHE A 86 1.764 -36.184 16.729 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.011 -37.335 16.295 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.878 -36.538 13.152 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.863 -34.629 16.425 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.831 -34.881 11.622 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.811 -32.979 14.872 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.292 -33.103 12.476 1.00 0.00 H new ATOM 1386 N PRO A 87 1.531 -39.931 16.427 1.00 0.00 N ATOM 1387 CA PRO A 87 1.358 -40.969 17.478 1.00 0.00 C ATOM 1388 C PRO A 87 1.574 -40.440 18.919 1.00 0.00 C ATOM 1389 O PRO A 87 0.967 -40.953 19.867 1.00 0.00 O ATOM 1390 CB PRO A 87 2.411 -42.059 17.102 1.00 0.00 C ATOM 1391 CG PRO A 87 3.378 -41.365 16.187 1.00 0.00 C ATOM 1392 CD PRO A 87 2.560 -40.344 15.430 1.00 0.00 C ATOM 0 HA PRO A 87 0.335 -41.344 17.498 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.914 -42.445 17.989 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.940 -42.909 16.608 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.177 -40.886 16.752 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.850 -42.073 15.505 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.169 -39.500 15.105 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.107 -40.773 14.536 1.00 0.00 H new ATOM 1400 N GLU A 88 2.420 -39.401 19.075 1.00 0.00 N ATOM 1401 CA GLU A 88 2.775 -38.847 20.407 1.00 0.00 C ATOM 1402 C GLU A 88 1.796 -37.742 20.872 1.00 0.00 C ATOM 1403 O GLU A 88 2.002 -37.148 21.937 1.00 0.00 O ATOM 1404 CB GLU A 88 4.242 -38.312 20.419 1.00 0.00 C ATOM 1405 CG GLU A 88 4.551 -37.178 19.400 1.00 0.00 C ATOM 1406 CD GLU A 88 5.238 -37.652 18.109 1.00 0.00 C ATOM 1407 OE1 GLU A 88 4.640 -38.444 17.361 1.00 0.00 O ATOM 1408 OE2 GLU A 88 6.382 -37.235 17.838 1.00 0.00 O ATOM 0 H GLU A 88 2.873 -38.925 18.295 1.00 0.00 H new ATOM 0 HA GLU A 88 2.693 -39.671 21.116 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.469 -37.948 21.421 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.916 -39.146 20.223 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.619 -36.678 19.138 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.186 -36.435 19.883 1.00 0.00 H new ATOM 1415 N GLY A 89 0.739 -37.454 20.081 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.318 -36.520 20.513 1.00 0.00 C ATOM 1417 C GLY A 89 -0.955 -35.760 19.360 1.00 0.00 C ATOM 1418 O GLY A 89 -1.070 -36.307 18.265 1.00 0.00 O ATOM 0 H GLY A 89 0.598 -37.850 19.152 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.091 -37.076 21.044 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.104 -35.806 21.221 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.359 -34.486 19.633 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.024 -33.572 18.671 1.00 0.00 C ATOM 1424 C LYS A 90 -1.444 -33.672 17.240 1.00 0.00 C ATOM 1425 O LYS A 90 -2.077 -34.244 16.352 1.00 0.00 O ATOM 1426 CB LYS A 90 -1.914 -32.111 19.204 1.00 0.00 C ATOM 1427 CG LYS A 90 -2.492 -31.016 18.272 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.012 -31.129 18.042 1.00 0.00 C ATOM 1429 CE LYS A 90 -4.816 -31.047 19.357 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.280 -30.987 19.119 1.00 0.00 N ATOM 0 H LYS A 90 -1.226 -34.061 20.551 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.069 -33.872 18.595 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.426 -32.054 20.164 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.863 -31.888 19.389 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -2.271 -30.037 18.697 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.984 -31.067 17.309 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.335 -30.332 17.372 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.232 -32.073 17.544 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.586 -31.914 19.976 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.505 -30.165 19.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.778 -30.933 20.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.505 -30.145 18.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.584 -31.841 18.609 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.232 -33.138 17.048 1.00 0.00 N ATOM 1445 CA GLY A 91 0.483 -33.232 15.777 1.00 0.00 C ATOM 1446 C GLY A 91 0.461 -31.956 14.966 1.00 0.00 C ATOM 1447 O GLY A 91 0.637 -31.991 13.746 1.00 0.00 O ATOM 0 H GLY A 91 0.277 -32.630 17.771 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.519 -33.508 15.974 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.046 -34.035 15.184 1.00 0.00 H new ATOM 1451 N GLU A 92 0.305 -30.819 15.645 1.00 0.00 N ATOM 1452 CA GLU A 92 0.218 -29.510 14.983 1.00 0.00 C ATOM 1453 C GLU A 92 1.618 -28.885 14.911 1.00 0.00 C ATOM 1454 O GLU A 92 2.346 -28.846 15.906 1.00 0.00 O ATOM 1455 CB GLU A 92 -0.777 -28.578 15.720 1.00 0.00 C ATOM 1456 CG GLU A 92 -0.405 -28.237 17.180 1.00 0.00 C ATOM 1457 CD GLU A 92 -1.329 -27.183 17.799 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -2.514 -27.493 18.051 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -0.886 -26.038 18.014 1.00 0.00 O ATOM 0 H GLU A 92 0.235 -30.775 16.662 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.161 -29.646 13.970 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.863 -27.648 15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.761 -29.047 15.713 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.444 -29.145 17.781 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.623 -27.876 17.213 1.00 0.00 H new ATOM 1466 N VAL A 93 2.013 -28.441 13.712 1.00 0.00 N ATOM 1467 CA VAL A 93 3.349 -27.878 13.479 1.00 0.00 C ATOM 1468 C VAL A 93 3.223 -26.465 12.913 1.00 0.00 C ATOM 1469 O VAL A 93 2.297 -26.167 12.149 1.00 0.00 O ATOM 1470 CB VAL A 93 4.217 -28.787 12.518 1.00 0.00 C ATOM 1471 CG1 VAL A 93 4.339 -30.223 13.076 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.662 -28.802 11.076 1.00 0.00 C ATOM 0 H VAL A 93 1.421 -28.461 12.882 1.00 0.00 H new ATOM 0 HA VAL A 93 3.868 -27.840 14.437 1.00 0.00 H new ATOM 0 HB VAL A 93 5.214 -28.349 12.476 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.940 -30.827 12.397 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.817 -30.193 14.055 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.346 -30.662 13.170 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.289 -29.438 10.451 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.643 -29.190 11.082 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.662 -27.788 10.676 1.00 0.00 H new ATOM 1482 N ASP A 94 4.148 -25.599 13.325 1.00 0.00 N ATOM 1483 CA ASP A 94 4.257 -24.236 12.807 1.00 0.00 C ATOM 1484 C ASP A 94 5.110 -24.270 11.536 1.00 0.00 C ATOM 1485 O ASP A 94 6.222 -24.777 11.548 1.00 0.00 O ATOM 1486 CB ASP A 94 4.866 -23.287 13.871 1.00 0.00 C ATOM 1487 CG ASP A 94 6.300 -23.655 14.300 1.00 0.00 C ATOM 1488 OD1 ASP A 94 6.481 -24.689 14.977 1.00 0.00 O ATOM 1489 OD2 ASP A 94 7.248 -22.916 13.949 1.00 0.00 O ATOM 0 H ASP A 94 4.847 -25.825 14.032 1.00 0.00 H new ATOM 0 HA ASP A 94 3.266 -23.849 12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.866 -22.271 13.477 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.224 -23.287 14.752 1.00 0.00 H new ATOM 1494 N VAL A 95 4.558 -23.788 10.429 1.00 0.00 N ATOM 1495 CA VAL A 95 5.248 -23.723 9.137 1.00 0.00 C ATOM 1496 C VAL A 95 5.450 -22.238 8.778 1.00 0.00 C ATOM 1497 O VAL A 95 4.617 -21.393 9.123 1.00 0.00 O ATOM 1498 CB VAL A 95 4.411 -24.467 8.026 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.142 -24.509 6.670 1.00 0.00 C ATOM 1500 CG2 VAL A 95 3.996 -25.884 8.489 1.00 0.00 C ATOM 0 H VAL A 95 3.605 -23.425 10.398 1.00 0.00 H new ATOM 0 HA VAL A 95 6.216 -24.221 9.199 1.00 0.00 H new ATOM 0 HB VAL A 95 3.502 -23.885 7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.524 -25.032 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.329 -23.492 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.091 -25.033 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.421 -26.370 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.888 -26.473 8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.386 -25.809 9.389 1.00 0.00 H new ATOM 1510 N ALA A 96 6.600 -21.914 8.177 1.00 0.00 N ATOM 1511 CA ALA A 96 6.874 -20.592 7.617 1.00 0.00 C ATOM 1512 C ALA A 96 6.803 -20.701 6.087 1.00 0.00 C ATOM 1513 O ALA A 96 7.764 -21.152 5.447 1.00 0.00 O ATOM 1514 CB ALA A 96 8.253 -20.089 8.097 1.00 0.00 C ATOM 0 H ALA A 96 7.372 -22.571 8.066 1.00 0.00 H new ATOM 0 HA ALA A 96 6.136 -19.865 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.448 -19.103 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.258 -20.025 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.027 -20.783 7.771 1.00 0.00 H new ATOM 1520 N CYS A 97 5.650 -20.333 5.512 1.00 0.00 N ATOM 1521 CA CYS A 97 5.426 -20.362 4.061 1.00 0.00 C ATOM 1522 C CYS A 97 5.751 -18.985 3.473 1.00 0.00 C ATOM 1523 O CYS A 97 5.031 -18.015 3.694 1.00 0.00 O ATOM 1524 CB CYS A 97 3.966 -20.765 3.760 1.00 0.00 C ATOM 1525 SG CYS A 97 3.553 -22.457 4.232 1.00 0.00 S ATOM 0 H CYS A 97 4.843 -20.005 6.043 1.00 0.00 H new ATOM 0 HA CYS A 97 6.080 -21.102 3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.297 -20.081 4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.779 -20.642 2.693 1.00 0.00 H new ATOM 0 HG CYS A 97 3.096 -22.469 5.449 1.00 0.00 H new ATOM 1531 N ILE A 98 6.872 -18.921 2.745 1.00 0.00 N ATOM 1532 CA ILE A 98 7.372 -17.692 2.119 1.00 0.00 C ATOM 1533 C ILE A 98 6.938 -17.671 0.635 1.00 0.00 C ATOM 1534 O ILE A 98 7.319 -18.537 -0.158 1.00 0.00 O ATOM 1535 CB ILE A 98 8.944 -17.569 2.327 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.536 -16.200 1.816 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.719 -18.779 1.756 1.00 0.00 C ATOM 1538 CD1 ILE A 98 9.862 -16.094 0.332 1.00 0.00 C ATOM 0 H ILE A 98 7.465 -19.733 2.572 1.00 0.00 H new ATOM 0 HA ILE A 98 6.939 -16.811 2.593 1.00 0.00 H new ATOM 0 HB ILE A 98 9.090 -17.580 3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.825 -15.411 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.447 -15.995 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.787 -18.641 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.388 -19.691 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.530 -18.860 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 98 10.261 -15.103 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.603 -16.848 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.956 -16.255 -0.252 1.00 0.00 H new ATOM 1550 N TYR A 99 6.097 -16.689 0.285 1.00 0.00 N ATOM 1551 CA TYR A 99 5.580 -16.505 -1.081 1.00 0.00 C ATOM 1552 C TYR A 99 6.243 -15.289 -1.723 1.00 0.00 C ATOM 1553 O TYR A 99 6.366 -14.237 -1.093 1.00 0.00 O ATOM 1554 CB TYR A 99 4.049 -16.297 -1.076 1.00 0.00 C ATOM 1555 CG TYR A 99 3.260 -17.393 -0.351 1.00 0.00 C ATOM 1556 CD1 TYR A 99 2.865 -18.557 -1.010 1.00 0.00 C ATOM 1557 CD2 TYR A 99 2.902 -17.255 0.988 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.141 -19.539 -0.363 1.00 0.00 C ATOM 1559 CE2 TYR A 99 2.177 -18.234 1.640 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.800 -19.375 0.961 1.00 0.00 C ATOM 1561 OH TYR A 99 1.071 -20.353 1.604 1.00 0.00 O ATOM 0 H TYR A 99 5.752 -15.993 0.946 1.00 0.00 H new ATOM 0 HA TYR A 99 5.809 -17.405 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.827 -15.338 -0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.700 -16.237 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.131 -18.693 -2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.197 -16.366 1.527 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.844 -20.432 -0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 99 1.906 -18.107 2.678 1.00 0.00 H new ATOM 0 HH TYR A 99 0.914 -20.086 2.534 1.00 0.00 H new ATOM 1571 N GLU A 100 6.684 -15.461 -2.966 1.00 0.00 N ATOM 1572 CA GLU A 100 7.120 -14.370 -3.833 1.00 0.00 C ATOM 1573 C GLU A 100 6.009 -14.086 -4.855 1.00 0.00 C ATOM 1574 O GLU A 100 5.693 -14.930 -5.707 1.00 0.00 O ATOM 1575 CB GLU A 100 8.438 -14.753 -4.531 1.00 0.00 C ATOM 1576 CG GLU A 100 9.052 -13.656 -5.416 1.00 0.00 C ATOM 1577 CD GLU A 100 10.362 -14.110 -6.088 1.00 0.00 C ATOM 1578 OE1 GLU A 100 11.445 -13.965 -5.478 1.00 0.00 O ATOM 1579 OE2 GLU A 100 10.313 -14.632 -7.223 1.00 0.00 O ATOM 0 H GLU A 100 6.750 -16.378 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 100 7.305 -13.468 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.166 -15.033 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.262 -15.637 -5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.334 -13.368 -6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.245 -12.770 -4.811 1.00 0.00 H new ATOM 1586 N VAL A 101 5.413 -12.902 -4.731 1.00 0.00 N ATOM 1587 CA VAL A 101 4.281 -12.458 -5.553 1.00 0.00 C ATOM 1588 C VAL A 101 4.776 -11.525 -6.672 1.00 0.00 C ATOM 1589 O VAL A 101 5.592 -10.628 -6.436 1.00 0.00 O ATOM 1590 CB VAL A 101 3.216 -11.723 -4.663 1.00 0.00 C ATOM 1591 CG1 VAL A 101 2.013 -11.203 -5.496 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.735 -12.643 -3.514 1.00 0.00 C ATOM 0 H VAL A 101 5.707 -12.208 -4.044 1.00 0.00 H new ATOM 0 HA VAL A 101 3.811 -13.332 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 101 3.705 -10.850 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.304 -10.702 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.369 -10.499 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.521 -12.042 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.998 -12.115 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.284 -13.542 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.585 -12.920 -2.890 1.00 0.00 H new ATOM 1602 N GLU A 102 4.270 -11.752 -7.887 1.00 0.00 N ATOM 1603 CA GLU A 102 4.575 -10.941 -9.062 1.00 0.00 C ATOM 1604 C GLU A 102 3.272 -10.595 -9.813 1.00 0.00 C ATOM 1605 O GLU A 102 2.546 -11.498 -10.247 1.00 0.00 O ATOM 1606 CB GLU A 102 5.580 -11.684 -9.978 1.00 0.00 C ATOM 1607 CG GLU A 102 6.143 -10.837 -11.126 1.00 0.00 C ATOM 1608 CD GLU A 102 6.824 -9.555 -10.627 1.00 0.00 C ATOM 1609 OE1 GLU A 102 8.010 -9.617 -10.232 1.00 0.00 O ATOM 1610 OE2 GLU A 102 6.170 -8.489 -10.585 1.00 0.00 O ATOM 0 H GLU A 102 3.626 -12.519 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 102 5.041 -10.007 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.409 -12.044 -9.369 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.089 -12.561 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.861 -11.430 -11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.336 -10.574 -11.810 1.00 0.00 H new ATOM 1617 N ASN A 103 2.984 -9.278 -9.922 1.00 0.00 N ATOM 1618 CA ASN A 103 1.769 -8.723 -10.578 1.00 0.00 C ATOM 1619 C ASN A 103 0.458 -9.189 -9.886 1.00 0.00 C ATOM 1620 O ASN A 103 -0.602 -9.273 -10.520 1.00 0.00 O ATOM 1621 CB ASN A 103 1.758 -9.023 -12.110 1.00 0.00 C ATOM 1622 CG ASN A 103 2.922 -8.354 -12.862 1.00 0.00 C ATOM 1623 OD1 ASN A 103 3.998 -9.092 -13.097 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 2.843 -7.184 -13.239 1.00 0.00 N flip ATOM 0 H ASN A 103 3.599 -8.554 -9.551 1.00 0.00 H new ATOM 0 HA ASN A 103 1.812 -7.640 -10.459 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.805 -10.101 -12.264 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.814 -8.681 -12.535 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.002 -6.641 -13.043 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.618 -6.758 -13.747 1.00 0.00 H new ATOM 1631 N GLY A 104 0.541 -9.427 -8.558 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.616 -9.851 -7.746 1.00 0.00 C ATOM 1633 C GLY A 104 -0.825 -11.363 -7.711 1.00 0.00 C ATOM 1634 O GLY A 104 -1.678 -11.867 -6.968 1.00 0.00 O ATOM 0 H GLY A 104 1.405 -9.331 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.485 -9.488 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.516 -9.378 -8.139 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.037 -12.086 -8.515 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.095 -13.549 -8.621 1.00 0.00 C ATOM 1640 C ARG A 105 1.208 -14.123 -8.082 1.00 0.00 C ATOM 1641 O ARG A 105 2.271 -13.658 -8.457 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.267 -13.966 -10.103 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.595 -13.545 -10.750 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.814 -14.253 -10.137 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.037 -14.017 -10.928 1.00 0.00 N ATOM 1646 CZ ARG A 105 -4.746 -14.965 -11.571 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -4.410 -16.252 -11.490 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -5.802 -14.613 -12.285 1.00 0.00 N ATOM 0 H ARG A 105 0.669 -11.665 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.942 -13.927 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.552 -13.539 -10.682 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.175 -15.050 -10.172 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.718 -12.467 -10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.556 -13.760 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.621 -15.324 -10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.966 -13.899 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.374 -13.056 -10.993 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.603 -16.534 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.960 -16.955 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.073 -13.631 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -6.346 -15.323 -12.776 1.00 0.00 H new ATOM 1662 N ILE A 106 1.120 -15.151 -7.238 1.00 0.00 N ATOM 1663 CA ILE A 106 2.310 -15.784 -6.645 1.00 0.00 C ATOM 1664 C ILE A 106 3.108 -16.503 -7.736 1.00 0.00 C ATOM 1665 O ILE A 106 2.664 -17.518 -8.257 1.00 0.00 O ATOM 1666 CB ILE A 106 1.909 -16.769 -5.494 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.138 -15.984 -4.393 1.00 0.00 C ATOM 1668 CG2 ILE A 106 3.140 -17.503 -4.905 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.714 -16.809 -3.210 1.00 0.00 C ATOM 0 H ILE A 106 0.236 -15.568 -6.946 1.00 0.00 H new ATOM 0 HA ILE A 106 2.938 -15.010 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 106 1.259 -17.541 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.767 -15.167 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.252 -15.534 -4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.817 -18.176 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.631 -18.078 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.840 -16.772 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.185 -16.177 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.055 -17.611 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.594 -17.238 -2.731 1.00 0.00 H new ATOM 1681 N ALA A 107 4.266 -15.926 -8.098 1.00 0.00 N ATOM 1682 CA ALA A 107 5.133 -16.445 -9.172 1.00 0.00 C ATOM 1683 C ALA A 107 5.957 -17.639 -8.683 1.00 0.00 C ATOM 1684 O ALA A 107 6.265 -18.552 -9.452 1.00 0.00 O ATOM 1685 CB ALA A 107 6.055 -15.330 -9.686 1.00 0.00 C ATOM 0 H ALA A 107 4.629 -15.083 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 107 4.500 -16.788 -9.991 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.692 -15.721 -10.479 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.452 -14.510 -10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.676 -14.966 -8.868 1.00 0.00 H new ATOM 1691 N LYS A 108 6.305 -17.615 -7.389 1.00 0.00 N ATOM 1692 CA LYS A 108 7.107 -18.660 -6.731 1.00 0.00 C ATOM 1693 C LYS A 108 6.703 -18.738 -5.259 1.00 0.00 C ATOM 1694 O LYS A 108 6.289 -17.738 -4.673 1.00 0.00 O ATOM 1695 CB LYS A 108 8.632 -18.373 -6.849 1.00 0.00 C ATOM 1696 CG LYS A 108 9.249 -18.636 -8.243 1.00 0.00 C ATOM 1697 CD LYS A 108 10.738 -18.250 -8.320 1.00 0.00 C ATOM 1698 CE LYS A 108 11.374 -18.574 -9.681 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.785 -18.116 -9.739 1.00 0.00 N ATOM 0 H LYS A 108 6.034 -16.859 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 108 6.914 -19.611 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.811 -17.331 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.158 -18.985 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.139 -19.692 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.693 -18.073 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.842 -17.183 -8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.284 -18.774 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.330 -19.649 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.801 -18.096 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.187 -18.348 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.822 -17.087 -9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.335 -18.591 -8.995 1.00 0.00 H new ATOM 1713 N ALA A 109 6.865 -19.922 -4.667 1.00 0.00 N ATOM 1714 CA ALA A 109 6.422 -20.204 -3.299 1.00 0.00 C ATOM 1715 C ALA A 109 7.252 -21.350 -2.741 1.00 0.00 C ATOM 1716 O ALA A 109 7.515 -22.338 -3.427 1.00 0.00 O ATOM 1717 CB ALA A 109 4.927 -20.550 -3.262 1.00 0.00 C ATOM 0 H ALA A 109 7.310 -20.718 -5.125 1.00 0.00 H new ATOM 0 HA ALA A 109 6.564 -19.315 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.626 -20.755 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.350 -19.710 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.742 -21.431 -3.876 1.00 0.00 H new ATOM 1723 N TRP A 110 7.689 -21.178 -1.503 1.00 0.00 N ATOM 1724 CA TRP A 110 8.490 -22.152 -0.771 1.00 0.00 C ATOM 1725 C TRP A 110 7.924 -22.217 0.644 1.00 0.00 C ATOM 1726 O TRP A 110 7.355 -21.229 1.125 1.00 0.00 O ATOM 1727 CB TRP A 110 9.988 -21.714 -0.731 1.00 0.00 C ATOM 1728 CG TRP A 110 10.552 -21.215 -2.054 1.00 0.00 C ATOM 1729 CD1 TRP A 110 11.172 -21.951 -3.010 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.529 -19.868 -2.555 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.543 -21.162 -4.059 1.00 0.00 N ATOM 1732 CE2 TRP A 110 11.170 -19.877 -3.802 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.037 -18.662 -2.068 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.320 -18.732 -4.570 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.193 -17.520 -2.829 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.836 -17.561 -4.063 1.00 0.00 C ATOM 0 H TRP A 110 7.492 -20.335 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 110 8.448 -23.127 -1.257 1.00 0.00 H new ATOM 0 HB2 TRP A 110 10.100 -20.926 0.014 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.588 -22.559 -0.394 1.00 0.00 H new ATOM 0 HD1 TRP A 110 11.348 -23.015 -2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 110 12.022 -21.482 -4.900 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.541 -18.619 -1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.803 -18.766 -5.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 9.810 -16.580 -2.461 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.954 -16.649 -4.630 1.00 0.00 H new ATOM 1747 N PHE A 111 8.059 -23.362 1.315 1.00 0.00 N ATOM 1748 CA PHE A 111 7.687 -23.460 2.731 1.00 0.00 C ATOM 1749 C PHE A 111 8.708 -24.298 3.489 1.00 0.00 C ATOM 1750 O PHE A 111 9.273 -25.260 2.954 1.00 0.00 O ATOM 1751 CB PHE A 111 6.243 -24.009 2.915 1.00 0.00 C ATOM 1752 CG PHE A 111 6.037 -25.495 2.610 1.00 0.00 C ATOM 1753 CD1 PHE A 111 5.708 -25.932 1.332 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.149 -26.457 3.619 1.00 0.00 C ATOM 1755 CE1 PHE A 111 5.496 -27.273 1.072 1.00 0.00 C ATOM 1756 CE2 PHE A 111 5.946 -27.792 3.356 1.00 0.00 C ATOM 1757 CZ PHE A 111 5.616 -28.203 2.084 1.00 0.00 C ATOM 0 H PHE A 111 8.418 -24.226 0.909 1.00 0.00 H new ATOM 0 HA PHE A 111 7.692 -22.454 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.936 -23.826 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.574 -23.433 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.617 -25.214 0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.399 -26.146 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.236 -27.594 0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.046 -28.519 4.149 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.452 -29.251 1.879 1.00 0.00 H new ATOM 1767 N LYS A 112 8.938 -23.899 4.735 1.00 0.00 N ATOM 1768 CA LYS A 112 9.759 -24.631 5.688 1.00 0.00 C ATOM 1769 C LYS A 112 8.858 -25.046 6.843 1.00 0.00 C ATOM 1770 O LYS A 112 8.235 -24.187 7.464 1.00 0.00 O ATOM 1771 CB LYS A 112 10.912 -23.733 6.223 1.00 0.00 C ATOM 1772 CG LYS A 112 11.831 -24.411 7.290 1.00 0.00 C ATOM 1773 CD LYS A 112 12.358 -23.427 8.369 1.00 0.00 C ATOM 1774 CE LYS A 112 11.222 -22.857 9.245 1.00 0.00 C ATOM 1775 NZ LYS A 112 11.729 -21.971 10.315 1.00 0.00 N ATOM 0 H LYS A 112 8.549 -23.037 5.118 1.00 0.00 H new ATOM 0 HA LYS A 112 10.206 -25.500 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.528 -23.418 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.480 -22.831 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.276 -25.211 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.680 -24.873 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.081 -23.940 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.886 -22.607 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.525 -22.302 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.663 -23.679 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.930 -21.613 10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.374 -22.505 10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.240 -21.171 9.890 1.00 0.00 H new ATOM 1789 N ILE A 113 8.825 -26.342 7.163 1.00 0.00 N ATOM 1790 CA ILE A 113 8.074 -26.837 8.317 1.00 0.00 C ATOM 1791 C ILE A 113 8.987 -26.729 9.533 1.00 0.00 C ATOM 1792 O ILE A 113 10.138 -27.179 9.509 1.00 0.00 O ATOM 1793 CB ILE A 113 7.560 -28.312 8.096 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.375 -28.316 7.077 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.141 -29.002 9.430 1.00 0.00 C ATOM 1796 CD1 ILE A 113 5.934 -29.692 6.602 1.00 0.00 C ATOM 0 H ILE A 113 9.311 -27.068 6.637 1.00 0.00 H new ATOM 0 HA ILE A 113 7.176 -26.237 8.467 1.00 0.00 H new ATOM 0 HB ILE A 113 8.389 -28.891 7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.521 -27.817 7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.662 -27.724 6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.795 -30.015 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.997 -29.042 10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.338 -28.433 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.108 -29.587 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.768 -30.191 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.610 -30.285 7.457 1.00 0.00 H new ATOM 1808 N GLY A 114 8.474 -26.047 10.550 1.00 0.00 N ATOM 1809 CA GLY A 114 9.207 -25.757 11.776 1.00 0.00 C ATOM 1810 C GLY A 114 9.198 -26.916 12.760 1.00 0.00 C ATOM 1811 O GLY A 114 9.452 -28.068 12.386 1.00 0.00 O ATOM 0 H GLY A 114 7.524 -25.675 10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.238 -25.507 11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 114 8.773 -24.878 12.253 1.00 0.00 H new ATOM 1815 N GLU A 115 8.894 -26.605 14.018 1.00 0.00 N ATOM 1816 CA GLU A 115 9.039 -27.523 15.127 1.00 0.00 C ATOM 1817 C GLU A 115 7.806 -28.463 15.248 1.00 0.00 C ATOM 1818 O GLU A 115 6.655 -28.007 15.153 1.00 0.00 O ATOM 1819 CB GLU A 115 9.278 -26.680 16.394 1.00 0.00 C ATOM 1820 CG GLU A 115 9.184 -27.447 17.709 1.00 0.00 C ATOM 1821 CD GLU A 115 9.569 -26.600 18.931 1.00 0.00 C ATOM 1822 OE1 GLU A 115 10.780 -26.413 19.177 1.00 0.00 O ATOM 1823 OE2 GLU A 115 8.672 -26.117 19.651 1.00 0.00 O ATOM 0 H GLU A 115 8.535 -25.691 14.292 1.00 0.00 H new ATOM 0 HA GLU A 115 9.889 -28.188 14.973 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.266 -26.224 16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.552 -25.867 16.413 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.166 -27.815 17.836 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.835 -28.320 17.660 1.00 0.00 H new ATOM 1830 N PRO A 116 8.048 -29.800 15.443 1.00 0.00 N ATOM 1831 CA PRO A 116 6.976 -30.799 15.650 1.00 0.00 C ATOM 1832 C PRO A 116 6.362 -30.684 17.064 1.00 0.00 C ATOM 1833 O PRO A 116 6.867 -31.264 18.034 1.00 0.00 O ATOM 1834 CB PRO A 116 7.714 -32.141 15.420 1.00 0.00 C ATOM 1835 CG PRO A 116 9.128 -31.869 15.842 1.00 0.00 C ATOM 1836 CD PRO A 116 9.397 -30.430 15.461 1.00 0.00 C ATOM 0 HA PRO A 116 6.122 -30.675 14.984 1.00 0.00 H new ATOM 0 HB2 PRO A 116 7.271 -32.944 16.010 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.664 -32.448 14.375 1.00 0.00 H new ATOM 0 HG2 PRO A 116 9.253 -32.020 16.914 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.823 -32.543 15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 116 10.054 -29.943 16.181 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.883 -30.360 14.488 1.00 0.00 H new ATOM 1844 N ARG A 117 5.268 -29.905 17.168 1.00 0.00 N ATOM 1845 CA ARG A 117 4.693 -29.507 18.463 1.00 0.00 C ATOM 1846 C ARG A 117 3.477 -30.367 18.817 1.00 0.00 C ATOM 1847 O ARG A 117 2.665 -30.727 17.954 1.00 0.00 O ATOM 1848 CB ARG A 117 4.324 -28.004 18.466 1.00 0.00 C ATOM 1849 CG ARG A 117 5.546 -27.067 18.378 1.00 0.00 C ATOM 1850 CD ARG A 117 5.167 -25.580 18.385 1.00 0.00 C ATOM 1851 NE ARG A 117 4.407 -25.205 17.177 1.00 0.00 N ATOM 1852 CZ ARG A 117 3.120 -24.830 17.147 1.00 0.00 C ATOM 1853 NH1 ARG A 117 2.364 -24.875 18.237 1.00 0.00 N ATOM 1854 NH2 ARG A 117 2.582 -24.472 16.007 1.00 0.00 N ATOM 0 H ARG A 117 4.763 -29.537 16.362 1.00 0.00 H new ATOM 0 HA ARG A 117 5.452 -29.671 19.228 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.659 -27.800 17.626 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.768 -27.777 19.375 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.213 -27.270 19.216 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.102 -27.290 17.467 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.573 -25.360 19.272 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.071 -24.974 18.449 1.00 0.00 H new ATOM 0 HE ARG A 117 4.904 -25.234 16.287 1.00 0.00 H new ATOM 0 HH11 ARG A 117 2.760 -25.199 19.119 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.387 -24.585 18.192 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.141 -24.480 15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.604 -24.185 15.973 1.00 0.00 H new ATOM 1868 N ILE A 118 3.379 -30.692 20.109 1.00 0.00 N ATOM 1869 CA ILE A 118 2.312 -31.516 20.677 1.00 0.00 C ATOM 1870 C ILE A 118 1.693 -30.770 21.864 1.00 0.00 C ATOM 1871 O ILE A 118 2.398 -30.370 22.786 1.00 0.00 O ATOM 1872 CB ILE A 118 2.874 -32.921 21.132 1.00 0.00 C ATOM 1873 CG1 ILE A 118 3.433 -33.721 19.916 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.803 -33.749 21.875 1.00 0.00 C ATOM 1875 CD1 ILE A 118 2.396 -34.075 18.871 1.00 0.00 C ATOM 0 H ILE A 118 4.057 -30.381 20.805 1.00 0.00 H new ATOM 0 HA ILE A 118 1.548 -31.696 19.921 1.00 0.00 H new ATOM 0 HB ILE A 118 3.692 -32.731 21.827 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.222 -33.136 19.444 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.892 -34.640 20.281 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.226 -34.708 22.172 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.474 -33.207 22.762 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.951 -33.917 21.216 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.870 -34.630 18.061 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.617 -34.689 19.324 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.953 -33.162 18.474 1.00 0.00 H new ATOM 1887 N VAL A 119 0.369 -30.580 21.809 1.00 0.00 N ATOM 1888 CA VAL A 119 -0.417 -29.935 22.886 1.00 0.00 C ATOM 1889 C VAL A 119 -0.670 -30.938 24.040 1.00 0.00 C ATOM 1890 O VAL A 119 -0.834 -30.548 25.197 1.00 0.00 O ATOM 1891 CB VAL A 119 -1.781 -29.383 22.310 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -2.642 -28.670 23.386 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -1.509 -28.438 21.119 1.00 0.00 C ATOM 0 H VAL A 119 -0.198 -30.869 21.012 1.00 0.00 H new ATOM 0 HA VAL A 119 0.151 -29.094 23.284 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.358 -30.243 21.968 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.567 -28.312 22.933 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.878 -29.371 24.187 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.087 -27.826 23.795 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.455 -28.063 20.729 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.896 -27.600 21.452 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.984 -28.983 20.335 1.00 0.00 H new