USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1137 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 113 SER OG : rot 180:sc= -0.183 USER MOD Set 1.2: A 117 GLN : amide:sc= -1.94! K(o=-2.1!,f=-1.4) USER MOD Set 2.1: A 106 SER OG : rot 170:sc= 1.01 USER MOD Set 2.2: A 110 LYS NZ :NH3+ 157:sc= 1.12 (180deg=0) USER MOD Set 3.1: A 3 ASN : amide:sc= -3.18 K(o=-7.5,f=-4.3) USER MOD Set 3.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 63 ASN : amide:sc= -4.33 K(o=-7.5,f=-4.3) USER MOD Set 4.1: A 21 MET CE :methyl -127:sc= -6.87! (180deg=-11.6!) USER MOD Set 4.2: A 28 CYS SG : rot 139:sc= -1.6 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.884 X(o=-0.88,f=-0.51) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.74! K(o=-4.7!,f=-1.8) USER MOD Single : A 15 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-4.2!) USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00323) USER MOD Single : A 18 CYS SG : rot -17:sc= -4.64! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 24 CYS SG : rot 47:sc= -7.52! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0148) USER MOD Single : A 27 GLN : amide:sc= -2.88 K(o=-2.9,f=-7!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= 0.241 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -7.45! C(o=-7.4!,f=-9!) USER MOD Single : A 55 SER OG : rot -23:sc= 0.493 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 152:sc= -3.46 (180deg=-7.45!) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= -0.827 (180deg=-1.05) USER MOD Single : A 73 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.69) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.7) USER MOD Single : A 86 CYS SG : rot 41:sc= 0.0446 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= -0.185 (180deg=-0.185) USER MOD Single : A 102 ASN : amide:sc= -6.76! C(o=-6.8!,f=-6.5!) USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= -0.193 (180deg=-0.725) USER MOD Single : A 120 GLN : amide:sc= -2.54! K(o=-2.5!,f=-1) USER MOD Single : A 122 MET CE :methyl 141:sc= -7.3! (180deg=-12.2!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -10.2! C(o=-10!,f=-22!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.11) USER MOD Single : A 139 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.194 -0.235 -5.569 1.00 0.00 N ATOM 21 CA GLU A 2 -17.750 -1.043 -6.700 1.00 0.00 C ATOM 22 C GLU A 2 -16.237 -1.233 -6.677 1.00 0.00 C ATOM 23 O GLU A 2 -15.731 -2.300 -7.021 1.00 0.00 O ATOM 24 CB GLU A 2 -18.172 -0.389 -8.017 1.00 0.00 C ATOM 25 CG GLU A 2 -19.676 -0.225 -8.160 1.00 0.00 C ATOM 26 CD GLU A 2 -20.398 -1.553 -8.275 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.911 -2.432 -9.018 1.00 0.00 O ATOM 28 OE2 GLU A 2 -21.452 -1.715 -7.624 1.00 0.00 O ATOM 0 HA GLU A 2 -18.221 -2.023 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.699 0.590 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.800 -0.990 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -20.062 0.321 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -19.890 0.378 -9.042 1.00 0.00 H new ATOM 35 N ASN A 3 -15.519 -0.191 -6.268 1.00 0.00 N ATOM 36 CA ASN A 3 -14.066 -0.239 -6.201 1.00 0.00 C ATOM 37 C ASN A 3 -13.601 -0.870 -4.893 1.00 0.00 C ATOM 38 O ASN A 3 -12.514 -1.444 -4.822 1.00 0.00 O ATOM 39 CB ASN A 3 -13.495 1.170 -6.309 1.00 0.00 C ATOM 40 CG ASN A 3 -14.124 1.976 -7.425 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.736 1.425 -8.340 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.973 3.291 -7.349 1.00 0.00 N ATOM 0 H ASN A 3 -15.924 0.699 -5.977 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.709 -0.848 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.644 1.691 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.419 1.109 -6.473 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.373 3.893 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.457 3.701 -6.570 1.00 0.00 H new ATOM 49 N LEU A 4 -14.430 -0.754 -3.860 1.00 0.00 N ATOM 50 CA LEU A 4 -14.104 -1.303 -2.551 1.00 0.00 C ATOM 51 C LEU A 4 -13.723 -2.772 -2.660 1.00 0.00 C ATOM 52 O LEU A 4 -12.719 -3.208 -2.103 1.00 0.00 O ATOM 53 CB LEU A 4 -15.287 -1.135 -1.596 1.00 0.00 C ATOM 54 CG LEU A 4 -15.210 0.088 -0.681 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.602 0.515 -0.241 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.334 -0.206 0.527 1.00 0.00 C ATOM 0 H LEU A 4 -15.334 -0.284 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.249 -0.755 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.203 -1.073 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.365 -2.029 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.761 0.909 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.527 1.387 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.199 0.767 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.079 -0.302 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.290 0.675 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.755 -1.041 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.328 -0.463 0.193 1.00 0.00 H new ATOM 68 N LYS A 5 -14.525 -3.531 -3.391 1.00 0.00 N ATOM 69 CA LYS A 5 -14.260 -4.952 -3.572 1.00 0.00 C ATOM 70 C LYS A 5 -12.973 -5.165 -4.364 1.00 0.00 C ATOM 71 O LYS A 5 -12.357 -6.228 -4.287 1.00 0.00 O ATOM 72 CB LYS A 5 -15.432 -5.635 -4.277 1.00 0.00 C ATOM 73 CG LYS A 5 -16.790 -5.271 -3.698 1.00 0.00 C ATOM 74 CD LYS A 5 -16.872 -5.601 -2.217 1.00 0.00 C ATOM 75 CE LYS A 5 -18.311 -5.827 -1.777 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.639 -7.274 -1.669 1.00 0.00 N ATOM 0 H LYS A 5 -15.361 -3.190 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.139 -5.400 -2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.414 -5.368 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.300 -6.715 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.976 -4.207 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.571 -5.809 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.282 -6.493 -2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.436 -4.788 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.476 -5.345 -0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.987 -5.354 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.628 -7.384 -1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.507 -7.730 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.012 -7.721 -0.970 1.00 0.00 H new ATOM 90 N HIS A 6 -12.564 -4.145 -5.107 1.00 0.00 N ATOM 91 CA HIS A 6 -11.338 -4.220 -5.891 1.00 0.00 C ATOM 92 C HIS A 6 -10.154 -3.790 -5.036 1.00 0.00 C ATOM 93 O HIS A 6 -9.034 -4.271 -5.210 1.00 0.00 O ATOM 94 CB HIS A 6 -11.440 -3.342 -7.140 1.00 0.00 C ATOM 95 CG HIS A 6 -11.030 -4.046 -8.397 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.301 -5.378 -8.635 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.361 -3.600 -9.487 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.816 -5.719 -9.815 1.00 0.00 C ATOM 99 NE2 HIS A 6 -10.243 -4.659 -10.353 1.00 0.00 N ATOM 0 H HIS A 6 -13.062 -3.258 -5.183 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.190 -5.251 -6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.467 -2.992 -7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.815 -2.459 -7.006 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.990 -2.598 -9.645 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.878 -6.699 -10.264 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.786 -4.631 -11.265 1.00 0.00 H new ATOM 108 N ILE A 7 -10.421 -2.886 -4.099 1.00 0.00 N ATOM 109 CA ILE A 7 -9.397 -2.388 -3.195 1.00 0.00 C ATOM 110 C ILE A 7 -9.188 -3.366 -2.046 1.00 0.00 C ATOM 111 O ILE A 7 -8.056 -3.683 -1.690 1.00 0.00 O ATOM 112 CB ILE A 7 -9.783 -1.004 -2.635 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.609 0.059 -3.721 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.947 -0.649 -1.408 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.900 0.702 -4.175 1.00 0.00 C ATOM 0 H ILE A 7 -11.346 -2.483 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.469 -2.289 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.828 -1.038 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.941 0.836 -3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.120 -0.395 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.243 0.332 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.108 -1.395 -0.630 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.892 -0.631 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.686 1.443 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.564 -0.062 -4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.382 1.189 -3.327 1.00 0.00 H new ATOM 127 N ILE A 8 -10.288 -3.842 -1.470 1.00 0.00 N ATOM 128 CA ILE A 8 -10.216 -4.788 -0.369 1.00 0.00 C ATOM 129 C ILE A 8 -9.569 -6.078 -0.837 1.00 0.00 C ATOM 130 O ILE A 8 -8.640 -6.588 -0.212 1.00 0.00 O ATOM 131 CB ILE A 8 -11.615 -5.104 0.182 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.330 -3.818 0.597 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.526 -6.072 1.354 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.829 -3.977 0.726 1.00 0.00 C ATOM 0 H ILE A 8 -11.236 -3.587 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.619 -4.335 0.422 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.195 -5.580 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.925 -3.478 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.117 -3.040 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.528 -6.282 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.060 -7.000 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.927 -5.627 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.272 -3.026 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.246 -4.288 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.051 -4.732 1.480 1.00 0.00 H new ATOM 146 N THR A 9 -10.066 -6.591 -1.955 1.00 0.00 N ATOM 147 CA THR A 9 -9.531 -7.817 -2.528 1.00 0.00 C ATOM 148 C THR A 9 -8.064 -7.616 -2.881 1.00 0.00 C ATOM 149 O THR A 9 -7.213 -8.435 -2.537 1.00 0.00 O ATOM 150 CB THR A 9 -10.329 -8.227 -3.769 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.108 -9.592 -4.079 1.00 0.00 O ATOM 152 CG2 THR A 9 -9.983 -7.416 -4.999 1.00 0.00 C ATOM 0 H THR A 9 -10.836 -6.178 -2.481 1.00 0.00 H new ATOM 0 HA THR A 9 -9.616 -8.618 -1.793 1.00 0.00 H new ATOM 0 HB THR A 9 -11.373 -8.043 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.628 -9.835 -4.874 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.584 -7.758 -5.841 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.189 -6.363 -4.810 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.926 -7.542 -5.233 1.00 0.00 H new ATOM 160 N LEU A 10 -7.776 -6.501 -3.548 1.00 0.00 N ATOM 161 CA LEU A 10 -6.410 -6.177 -3.918 1.00 0.00 C ATOM 162 C LEU A 10 -5.602 -5.910 -2.665 1.00 0.00 C ATOM 163 O LEU A 10 -4.409 -6.209 -2.605 1.00 0.00 O ATOM 164 CB LEU A 10 -6.361 -4.967 -4.852 1.00 0.00 C ATOM 165 CG LEU A 10 -4.973 -4.645 -5.420 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.180 -5.922 -5.676 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.102 -3.831 -6.699 1.00 0.00 C ATOM 0 H LEU A 10 -8.470 -5.813 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.983 -7.024 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.046 -5.139 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.728 -4.094 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.431 -4.053 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.200 -5.667 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.057 -6.468 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.715 -6.545 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.109 -3.610 -7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.665 -4.401 -7.438 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.624 -2.898 -6.486 1.00 0.00 H new ATOM 179 N GLY A 11 -6.270 -5.377 -1.647 1.00 0.00 N ATOM 180 CA GLY A 11 -5.595 -5.123 -0.397 1.00 0.00 C ATOM 181 C GLY A 11 -5.114 -6.421 0.205 1.00 0.00 C ATOM 182 O GLY A 11 -4.101 -6.458 0.900 1.00 0.00 O ATOM 0 H GLY A 11 -7.257 -5.120 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.750 -4.454 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.271 -4.620 0.295 1.00 0.00 H new ATOM 186 N GLN A 12 -5.843 -7.499 -0.094 1.00 0.00 N ATOM 187 CA GLN A 12 -5.487 -8.823 0.393 1.00 0.00 C ATOM 188 C GLN A 12 -4.368 -9.411 -0.453 1.00 0.00 C ATOM 189 O GLN A 12 -3.478 -10.087 0.062 1.00 0.00 O ATOM 190 CB GLN A 12 -6.703 -9.752 0.366 1.00 0.00 C ATOM 191 CG GLN A 12 -7.801 -9.348 1.335 1.00 0.00 C ATOM 192 CD GLN A 12 -7.294 -9.182 2.753 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.429 -9.931 3.208 1.00 0.00 O ATOM 194 NE2 GLN A 12 -7.832 -8.196 3.460 1.00 0.00 N ATOM 0 H GLN A 12 -6.683 -7.475 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.143 -8.728 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.111 -9.772 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.380 -10.766 0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.249 -8.412 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.589 -10.101 1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.546 -7.600 3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.531 -8.035 4.421 1.00 0.00 H new ATOM 203 N VAL A 13 -4.403 -9.130 -1.753 1.00 0.00 N ATOM 204 CA VAL A 13 -3.373 -9.617 -2.656 1.00 0.00 C ATOM 205 C VAL A 13 -2.077 -8.890 -2.364 1.00 0.00 C ATOM 206 O VAL A 13 -1.077 -9.500 -1.997 1.00 0.00 O ATOM 207 CB VAL A 13 -3.768 -9.408 -4.124 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.567 -9.580 -5.043 1.00 0.00 C ATOM 209 CG2 VAL A 13 -4.883 -10.366 -4.501 1.00 0.00 C ATOM 0 H VAL A 13 -5.130 -8.571 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.249 -10.688 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.130 -8.387 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.875 -9.427 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.801 -8.851 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.164 -10.586 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.158 -10.212 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.543 -11.392 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.750 -10.183 -3.866 1.00 0.00 H new ATOM 219 N ILE A 14 -2.118 -7.571 -2.491 1.00 0.00 N ATOM 220 CA ILE A 14 -0.961 -6.742 -2.199 1.00 0.00 C ATOM 221 C ILE A 14 -0.338 -7.192 -0.877 1.00 0.00 C ATOM 222 O ILE A 14 0.873 -7.100 -0.677 1.00 0.00 O ATOM 223 CB ILE A 14 -1.370 -5.251 -2.111 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.853 -4.478 -3.323 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.879 -4.610 -0.822 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.721 -3.297 -3.678 1.00 0.00 C ATOM 0 H ILE A 14 -2.942 -7.053 -2.795 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.233 -6.851 -3.003 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.459 -5.209 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.160 -4.130 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.795 -5.150 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.185 -3.564 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.308 -5.135 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.208 -4.671 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.304 -2.787 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.729 -3.642 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.759 -2.607 -2.835 1.00 0.00 H new ATOM 238 N HIS A 15 -1.197 -7.692 0.012 1.00 0.00 N ATOM 239 CA HIS A 15 -0.772 -8.176 1.313 1.00 0.00 C ATOM 240 C HIS A 15 -0.273 -9.618 1.215 1.00 0.00 C ATOM 241 O HIS A 15 0.700 -9.989 1.872 1.00 0.00 O ATOM 242 CB HIS A 15 -1.936 -8.058 2.303 1.00 0.00 C ATOM 243 CG HIS A 15 -2.080 -9.213 3.241 1.00 0.00 C ATOM 244 ND1 HIS A 15 -3.067 -10.162 3.103 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.363 -9.570 4.332 1.00 0.00 C ATOM 246 CE1 HIS A 15 -2.955 -11.052 4.068 1.00 0.00 C ATOM 247 NE2 HIS A 15 -1.928 -10.718 4.828 1.00 0.00 N ATOM 0 H HIS A 15 -2.200 -7.770 -0.154 1.00 0.00 H new ATOM 0 HA HIS A 15 0.058 -7.567 1.672 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.807 -7.147 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.863 -7.947 1.741 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -3.775 -10.174 2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.507 -9.049 4.736 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.595 -11.910 4.213 1.00 0.00 H new ATOM 256 N LYS A 16 -0.939 -10.428 0.392 1.00 0.00 N ATOM 257 CA LYS A 16 -0.541 -11.822 0.225 1.00 0.00 C ATOM 258 C LYS A 16 0.740 -11.923 -0.602 1.00 0.00 C ATOM 259 O LYS A 16 1.645 -12.688 -0.270 1.00 0.00 O ATOM 260 CB LYS A 16 -1.673 -12.638 -0.415 1.00 0.00 C ATOM 261 CG LYS A 16 -1.702 -12.601 -1.936 1.00 0.00 C ATOM 262 CD LYS A 16 -3.037 -13.086 -2.472 1.00 0.00 C ATOM 263 CE LYS A 16 -3.199 -14.587 -2.293 1.00 0.00 C ATOM 264 NZ LYS A 16 -4.019 -14.918 -1.096 1.00 0.00 N ATOM 0 H LYS A 16 -1.747 -10.146 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.340 -12.240 1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.582 -13.675 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.627 -12.269 -0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.517 -11.584 -2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.900 -13.224 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.846 -12.568 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.119 -12.834 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.667 -15.010 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.216 -15.050 -2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.737 -15.849 -0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.869 -14.196 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.025 -14.940 -1.360 1.00 0.00 H new ATOM 278 N ARG A 17 0.816 -11.135 -1.671 1.00 0.00 N ATOM 279 CA ARG A 17 1.993 -11.127 -2.529 1.00 0.00 C ATOM 280 C ARG A 17 3.213 -10.665 -1.743 1.00 0.00 C ATOM 281 O ARG A 17 4.259 -11.316 -1.759 1.00 0.00 O ATOM 282 CB ARG A 17 1.770 -10.214 -3.736 1.00 0.00 C ATOM 283 CG ARG A 17 0.803 -10.784 -4.760 1.00 0.00 C ATOM 284 CD ARG A 17 1.199 -10.400 -6.178 1.00 0.00 C ATOM 285 NE ARG A 17 1.242 -11.559 -7.067 1.00 0.00 N ATOM 286 CZ ARG A 17 0.159 -12.137 -7.583 1.00 0.00 C ATOM 287 NH1 ARG A 17 -1.050 -11.669 -7.301 1.00 0.00 N ATOM 288 NH2 ARG A 17 0.287 -13.187 -8.383 1.00 0.00 N ATOM 0 H ARG A 17 0.077 -10.495 -1.962 1.00 0.00 H new ATOM 0 HA ARG A 17 2.166 -12.142 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.393 -9.252 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.728 -10.025 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.776 -11.870 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.204 -10.422 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.489 -9.670 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.176 -9.918 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 17 2.154 -11.948 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.154 -10.862 -6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.876 -12.116 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.214 -13.551 -8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.542 -13.631 -8.779 1.00 0.00 H new ATOM 302 N CYS A 18 3.067 -9.544 -1.043 1.00 0.00 N ATOM 303 CA CYS A 18 4.154 -9.004 -0.238 1.00 0.00 C ATOM 304 C CYS A 18 4.454 -9.939 0.928 1.00 0.00 C ATOM 305 O CYS A 18 5.598 -10.064 1.363 1.00 0.00 O ATOM 306 CB CYS A 18 3.801 -7.607 0.277 1.00 0.00 C ATOM 307 SG CYS A 18 2.591 -7.590 1.620 1.00 0.00 S ATOM 0 H CYS A 18 2.208 -8.994 -1.018 1.00 0.00 H new ATOM 0 HA CYS A 18 5.043 -8.923 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.713 -7.118 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.414 -7.014 -0.552 1.00 0.00 H new ATOM 0 HG CYS A 18 1.979 -8.736 1.667 1.00 0.00 H new ATOM 313 N GLU A 19 3.418 -10.607 1.420 1.00 0.00 N ATOM 314 CA GLU A 19 3.577 -11.545 2.520 1.00 0.00 C ATOM 315 C GLU A 19 4.464 -12.703 2.083 1.00 0.00 C ATOM 316 O GLU A 19 5.186 -13.290 2.889 1.00 0.00 O ATOM 317 CB GLU A 19 2.216 -12.071 2.981 1.00 0.00 C ATOM 318 CG GLU A 19 1.607 -11.269 4.119 1.00 0.00 C ATOM 319 CD GLU A 19 1.715 -11.977 5.455 1.00 0.00 C ATOM 320 OE1 GLU A 19 2.804 -11.931 6.065 1.00 0.00 O ATOM 321 OE2 GLU A 19 0.711 -12.579 5.892 1.00 0.00 O ATOM 0 H GLU A 19 2.462 -10.516 1.075 1.00 0.00 H new ATOM 0 HA GLU A 19 4.046 -11.027 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.528 -12.066 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.325 -13.109 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.105 -10.301 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.557 -11.073 3.900 1.00 0.00 H new ATOM 328 N GLU A 20 4.403 -13.021 0.793 1.00 0.00 N ATOM 329 CA GLU A 20 5.201 -14.108 0.232 1.00 0.00 C ATOM 330 C GLU A 20 6.498 -13.588 -0.395 1.00 0.00 C ATOM 331 O GLU A 20 7.357 -14.374 -0.793 1.00 0.00 O ATOM 332 CB GLU A 20 4.391 -14.875 -0.813 1.00 0.00 C ATOM 333 CG GLU A 20 4.004 -14.035 -2.019 1.00 0.00 C ATOM 334 CD GLU A 20 3.551 -14.877 -3.195 1.00 0.00 C ATOM 335 OE1 GLU A 20 4.316 -15.770 -3.616 1.00 0.00 O ATOM 336 OE2 GLU A 20 2.431 -14.643 -3.696 1.00 0.00 O ATOM 0 H GLU A 20 3.809 -12.542 0.116 1.00 0.00 H new ATOM 0 HA GLU A 20 5.466 -14.779 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.970 -15.735 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.486 -15.264 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.204 -13.350 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.855 -13.425 -2.320 1.00 0.00 H new ATOM 343 N MET A 21 6.637 -12.263 -0.483 1.00 0.00 N ATOM 344 CA MET A 21 7.831 -11.650 -1.065 1.00 0.00 C ATOM 345 C MET A 21 9.107 -12.295 -0.541 1.00 0.00 C ATOM 346 O MET A 21 9.245 -12.550 0.655 1.00 0.00 O ATOM 347 CB MET A 21 7.856 -10.148 -0.772 1.00 0.00 C ATOM 348 CG MET A 21 7.470 -9.295 -1.966 1.00 0.00 C ATOM 349 SD MET A 21 8.738 -9.296 -3.248 1.00 0.00 S ATOM 350 CE MET A 21 8.576 -7.636 -3.899 1.00 0.00 C ATOM 0 H MET A 21 5.937 -11.595 -0.159 1.00 0.00 H new ATOM 0 HA MET A 21 7.787 -11.810 -2.142 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.176 -9.935 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.856 -9.866 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.533 -9.663 -2.385 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.291 -8.272 -1.636 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.446 -7.680 -4.980 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.710 -7.152 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.474 -7.064 -3.665 1.00 0.00 H new ATOM 360 N LYS A 22 10.041 -12.543 -1.449 1.00 0.00 N ATOM 361 CA LYS A 22 11.317 -13.143 -1.089 1.00 0.00 C ATOM 362 C LYS A 22 12.394 -12.070 -0.950 1.00 0.00 C ATOM 363 O LYS A 22 13.552 -12.373 -0.662 1.00 0.00 O ATOM 364 CB LYS A 22 11.737 -14.173 -2.140 1.00 0.00 C ATOM 365 CG LYS A 22 12.429 -15.393 -1.553 1.00 0.00 C ATOM 366 CD LYS A 22 12.760 -16.415 -2.629 1.00 0.00 C ATOM 367 CE LYS A 22 12.982 -17.797 -2.034 1.00 0.00 C ATOM 368 NZ LYS A 22 14.005 -18.570 -2.790 1.00 0.00 N ATOM 0 H LYS A 22 9.938 -12.337 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 22 11.200 -13.646 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.855 -14.497 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.405 -13.696 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.344 -15.086 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.787 -15.850 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.948 -16.456 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.654 -16.101 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.296 -17.698 -0.995 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.041 -18.346 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.127 -19.506 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.694 -18.687 -3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.910 -18.059 -2.771 1.00 0.00 H new ATOM 382 N TYR A 23 12.006 -10.811 -1.157 1.00 0.00 N ATOM 383 CA TYR A 23 12.942 -9.697 -1.053 1.00 0.00 C ATOM 384 C TYR A 23 12.270 -8.467 -0.455 1.00 0.00 C ATOM 385 O TYR A 23 11.055 -8.296 -0.566 1.00 0.00 O ATOM 386 CB TYR A 23 13.522 -9.361 -2.426 1.00 0.00 C ATOM 387 CG TYR A 23 14.728 -10.195 -2.787 1.00 0.00 C ATOM 388 CD1 TYR A 23 14.591 -11.537 -3.116 1.00 0.00 C ATOM 389 CD2 TYR A 23 16.003 -9.644 -2.793 1.00 0.00 C ATOM 390 CE1 TYR A 23 15.690 -12.306 -3.442 1.00 0.00 C ATOM 391 CE2 TYR A 23 17.108 -10.407 -3.117 1.00 0.00 C ATOM 392 CZ TYR A 23 16.947 -11.738 -3.441 1.00 0.00 C ATOM 393 OH TYR A 23 18.045 -12.503 -3.763 1.00 0.00 O ATOM 0 H TYR A 23 11.052 -10.540 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 23 13.751 -10.000 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.751 -9.504 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.799 -8.307 -2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.609 -11.986 -3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.133 -8.602 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.566 -13.348 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 23 18.093 -9.964 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 23 18.853 -11.951 -3.716 1.00 0.00 H new ATOM 403 N CYS A 24 13.073 -7.611 0.177 1.00 0.00 N ATOM 404 CA CYS A 24 12.574 -6.388 0.801 1.00 0.00 C ATOM 405 C CYS A 24 11.242 -6.627 1.509 1.00 0.00 C ATOM 406 O CYS A 24 10.327 -5.809 1.427 1.00 0.00 O ATOM 407 CB CYS A 24 12.421 -5.289 -0.250 1.00 0.00 C ATOM 408 SG CYS A 24 13.886 -5.054 -1.283 1.00 0.00 S ATOM 0 H CYS A 24 14.080 -7.745 0.270 1.00 0.00 H new ATOM 0 HA CYS A 24 13.300 -6.072 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 24 11.572 -5.528 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.188 -4.350 0.252 1.00 0.00 H new ATOM 0 HG CYS A 24 14.315 -6.209 -1.697 1.00 0.00 H new ATOM 414 N LYS A 25 11.141 -7.758 2.201 1.00 0.00 N ATOM 415 CA LYS A 25 9.919 -8.107 2.917 1.00 0.00 C ATOM 416 C LYS A 25 9.566 -7.050 3.951 1.00 0.00 C ATOM 417 O LYS A 25 8.418 -6.624 4.041 1.00 0.00 O ATOM 418 CB LYS A 25 10.058 -9.461 3.600 1.00 0.00 C ATOM 419 CG LYS A 25 10.459 -10.585 2.659 1.00 0.00 C ATOM 420 CD LYS A 25 10.918 -11.815 3.426 1.00 0.00 C ATOM 421 CE LYS A 25 11.864 -12.668 2.597 1.00 0.00 C ATOM 422 NZ LYS A 25 11.895 -14.080 3.067 1.00 0.00 N ATOM 0 H LYS A 25 11.889 -8.447 2.281 1.00 0.00 H new ATOM 0 HA LYS A 25 9.116 -8.159 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.801 -9.382 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.110 -9.717 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.614 -10.846 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.260 -10.244 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.416 -11.507 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.051 -12.409 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.556 -12.640 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.868 -12.247 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.552 -14.628 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.213 -14.110 4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.942 -14.490 2.997 1.00 0.00 H new ATOM 436 N LYS A 26 10.556 -6.626 4.737 1.00 0.00 N ATOM 437 CA LYS A 26 10.329 -5.611 5.764 1.00 0.00 C ATOM 438 C LYS A 26 9.420 -4.512 5.225 1.00 0.00 C ATOM 439 O LYS A 26 8.360 -4.228 5.789 1.00 0.00 O ATOM 440 CB LYS A 26 11.660 -5.012 6.224 1.00 0.00 C ATOM 441 CG LYS A 26 12.584 -6.022 6.886 1.00 0.00 C ATOM 442 CD LYS A 26 13.568 -6.618 5.889 1.00 0.00 C ATOM 443 CE LYS A 26 14.996 -6.187 6.185 1.00 0.00 C ATOM 444 NZ LYS A 26 15.172 -4.715 6.048 1.00 0.00 N ATOM 0 H LYS A 26 11.516 -6.967 4.683 1.00 0.00 H new ATOM 0 HA LYS A 26 9.844 -6.083 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.169 -4.575 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.461 -4.200 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.132 -5.539 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.991 -6.819 7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.502 -7.706 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.296 -6.309 4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.265 -6.492 7.196 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.678 -6.699 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.173 -4.470 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.876 -4.417 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.591 -4.228 6.760 1.00 0.00 H new ATOM 458 N GLN A 27 9.831 -3.919 4.112 1.00 0.00 N ATOM 459 CA GLN A 27 9.051 -2.872 3.475 1.00 0.00 C ATOM 460 C GLN A 27 7.857 -3.476 2.742 1.00 0.00 C ATOM 461 O GLN A 27 6.715 -3.072 2.957 1.00 0.00 O ATOM 462 CB GLN A 27 9.918 -2.078 2.496 1.00 0.00 C ATOM 463 CG GLN A 27 11.309 -1.768 3.023 1.00 0.00 C ATOM 464 CD GLN A 27 12.388 -2.585 2.340 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.516 -3.786 2.576 1.00 0.00 O ATOM 466 NE2 GLN A 27 13.172 -1.936 1.487 1.00 0.00 N ATOM 0 H GLN A 27 10.702 -4.147 3.633 1.00 0.00 H new ATOM 0 HA GLN A 27 8.687 -2.195 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.008 -2.640 1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.414 -1.142 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.518 -0.708 2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.338 -1.960 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.031 -0.940 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.916 -2.434 0.998 1.00 0.00 H new ATOM 475 N CYS A 28 8.127 -4.453 1.875 1.00 0.00 N ATOM 476 CA CYS A 28 7.069 -5.110 1.112 1.00 0.00 C ATOM 477 C CYS A 28 5.910 -5.512 2.018 1.00 0.00 C ATOM 478 O CYS A 28 4.782 -5.051 1.839 1.00 0.00 O ATOM 479 CB CYS A 28 7.620 -6.340 0.389 1.00 0.00 C ATOM 480 SG CYS A 28 8.589 -5.954 -1.088 1.00 0.00 S ATOM 0 H CYS A 28 9.066 -4.804 1.685 1.00 0.00 H new ATOM 0 HA CYS A 28 6.696 -4.401 0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.243 -6.907 1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.788 -6.985 0.107 1.00 0.00 H new ATOM 0 HG CYS A 28 9.631 -6.730 -1.138 1.00 0.00 H new ATOM 486 N ARG A 29 6.194 -6.367 2.996 1.00 0.00 N ATOM 487 CA ARG A 29 5.175 -6.821 3.933 1.00 0.00 C ATOM 488 C ARG A 29 4.403 -5.644 4.520 1.00 0.00 C ATOM 489 O ARG A 29 3.184 -5.706 4.678 1.00 0.00 O ATOM 490 CB ARG A 29 5.815 -7.635 5.057 1.00 0.00 C ATOM 491 CG ARG A 29 5.027 -8.880 5.416 1.00 0.00 C ATOM 492 CD ARG A 29 4.797 -8.993 6.917 1.00 0.00 C ATOM 493 NE ARG A 29 5.478 -10.150 7.490 1.00 0.00 N ATOM 494 CZ ARG A 29 5.727 -10.294 8.790 1.00 0.00 C ATOM 495 NH1 ARG A 29 5.351 -9.358 9.653 1.00 0.00 N ATOM 496 NH2 ARG A 29 6.352 -11.378 9.230 1.00 0.00 N ATOM 0 H ARG A 29 7.122 -6.759 3.159 1.00 0.00 H new ATOM 0 HA ARG A 29 4.474 -7.452 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.823 -7.924 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.912 -7.006 5.942 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.066 -8.862 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.561 -9.762 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.150 -8.086 7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.728 -9.067 7.115 1.00 0.00 H new ATOM 0 HE ARG A 29 5.781 -10.891 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.868 -8.523 9.321 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.545 -9.474 10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.642 -12.102 8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.543 -11.488 10.226 1.00 0.00 H new ATOM 510 N ARG A 30 5.120 -4.572 4.843 1.00 0.00 N ATOM 511 CA ARG A 30 4.497 -3.384 5.414 1.00 0.00 C ATOM 512 C ARG A 30 3.523 -2.748 4.434 1.00 0.00 C ATOM 513 O ARG A 30 2.439 -2.321 4.820 1.00 0.00 O ATOM 514 CB ARG A 30 5.554 -2.358 5.816 1.00 0.00 C ATOM 515 CG ARG A 30 6.022 -2.498 7.255 1.00 0.00 C ATOM 516 CD ARG A 30 7.354 -1.801 7.480 1.00 0.00 C ATOM 517 NE ARG A 30 7.757 -1.831 8.884 1.00 0.00 N ATOM 518 CZ ARG A 30 8.172 -2.928 9.513 1.00 0.00 C ATOM 519 NH1 ARG A 30 8.247 -4.084 8.866 1.00 0.00 N ATOM 520 NH2 ARG A 30 8.517 -2.868 10.792 1.00 0.00 N ATOM 0 H ARG A 30 6.130 -4.502 4.719 1.00 0.00 H new ATOM 0 HA ARG A 30 3.947 -3.700 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.413 -2.455 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.150 -1.356 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.272 -2.077 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.116 -3.554 7.507 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.121 -2.281 6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.283 -0.766 7.145 1.00 0.00 H new ATOM 0 HE ARG A 30 7.718 -0.960 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.986 -4.135 7.881 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.566 -4.921 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.464 -1.981 11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.835 -3.709 11.274 1.00 0.00 H new ATOM 534 N LEU A 31 3.911 -2.682 3.164 1.00 0.00 N ATOM 535 CA LEU A 31 3.050 -2.090 2.146 1.00 0.00 C ATOM 536 C LEU A 31 1.683 -2.753 2.169 1.00 0.00 C ATOM 537 O LEU A 31 0.653 -2.082 2.171 1.00 0.00 O ATOM 538 CB LEU A 31 3.671 -2.223 0.754 1.00 0.00 C ATOM 539 CG LEU A 31 2.792 -1.732 -0.406 1.00 0.00 C ATOM 540 CD1 LEU A 31 2.135 -0.398 -0.067 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.616 -1.615 -1.682 1.00 0.00 C ATOM 0 H LEU A 31 4.806 -3.027 2.818 1.00 0.00 H new ATOM 0 HA LEU A 31 2.940 -1.029 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.609 -1.668 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.918 -3.271 0.583 1.00 0.00 H new ATOM 0 HG LEU A 31 2.001 -2.464 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.518 -0.073 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.511 -0.515 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.906 0.348 0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.980 -1.266 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.428 -0.905 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.030 -2.590 -1.938 1.00 0.00 H new ATOM 553 N GLY A 32 1.686 -4.078 2.202 1.00 0.00 N ATOM 554 CA GLY A 32 0.446 -4.818 2.240 1.00 0.00 C ATOM 555 C GLY A 32 -0.210 -4.757 3.602 1.00 0.00 C ATOM 556 O GLY A 32 -1.416 -4.535 3.710 1.00 0.00 O ATOM 0 H GLY A 32 2.529 -4.653 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.237 -4.419 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.637 -5.858 1.976 1.00 0.00 H new ATOM 560 N HIS A 33 0.589 -4.948 4.648 1.00 0.00 N ATOM 561 CA HIS A 33 0.075 -4.904 6.011 1.00 0.00 C ATOM 562 C HIS A 33 -0.515 -3.531 6.311 1.00 0.00 C ATOM 563 O HIS A 33 -1.529 -3.421 7.001 1.00 0.00 O ATOM 564 CB HIS A 33 1.181 -5.236 7.015 1.00 0.00 C ATOM 565 CG HIS A 33 1.099 -6.630 7.556 1.00 0.00 C ATOM 566 ND1 HIS A 33 1.148 -6.920 8.903 1.00 0.00 N ATOM 567 CD2 HIS A 33 0.968 -7.819 6.922 1.00 0.00 C ATOM 568 CE1 HIS A 33 1.052 -8.226 9.074 1.00 0.00 C ATOM 569 NE2 HIS A 33 0.941 -8.795 7.888 1.00 0.00 N ATOM 0 H HIS A 33 1.589 -5.134 4.578 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.712 -5.652 6.105 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.150 -5.098 6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.132 -4.530 7.844 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.898 -7.972 5.855 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.063 -8.741 10.023 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.850 -9.796 7.717 1.00 0.00 H new ATOM 578 N ARG A 34 0.109 -2.487 5.770 1.00 0.00 N ATOM 579 CA ARG A 34 -0.382 -1.132 5.967 1.00 0.00 C ATOM 580 C ARG A 34 -1.598 -0.920 5.085 1.00 0.00 C ATOM 581 O ARG A 34 -2.614 -0.374 5.517 1.00 0.00 O ATOM 582 CB ARG A 34 0.704 -0.106 5.643 1.00 0.00 C ATOM 583 CG ARG A 34 1.666 0.138 6.794 1.00 0.00 C ATOM 584 CD ARG A 34 3.100 -0.184 6.406 1.00 0.00 C ATOM 585 NE ARG A 34 4.057 0.726 7.032 1.00 0.00 N ATOM 586 CZ ARG A 34 4.282 0.779 8.343 1.00 0.00 C ATOM 587 NH1 ARG A 34 3.626 -0.025 9.170 1.00 0.00 N ATOM 588 NH2 ARG A 34 5.168 1.638 8.828 1.00 0.00 N ATOM 0 H ARG A 34 0.950 -2.556 5.196 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.659 -0.996 7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.267 -0.446 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.232 0.837 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.599 1.179 7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.374 -0.473 7.648 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.332 -1.209 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.203 -0.128 5.322 1.00 0.00 H new ATOM 0 HE ARG A 34 4.584 1.358 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.945 -0.689 8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.803 0.021 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.676 2.257 8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.341 1.680 9.832 1.00 0.00 H new ATOM 602 N VAL A 35 -1.495 -1.396 3.848 1.00 0.00 N ATOM 603 CA VAL A 35 -2.600 -1.300 2.902 1.00 0.00 C ATOM 604 C VAL A 35 -3.847 -1.928 3.516 1.00 0.00 C ATOM 605 O VAL A 35 -4.926 -1.336 3.507 1.00 0.00 O ATOM 606 CB VAL A 35 -2.262 -2.002 1.567 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.526 -2.388 0.808 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.374 -1.115 0.710 1.00 0.00 C ATOM 0 H VAL A 35 -0.660 -1.851 3.479 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.780 -0.246 2.690 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.720 -2.919 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.254 -2.879 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.122 -3.069 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.108 -1.492 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.146 -1.625 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.891 -0.179 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.447 -0.904 1.244 1.00 0.00 H new ATOM 618 N LEU A 36 -3.680 -3.129 4.071 1.00 0.00 N ATOM 619 CA LEU A 36 -4.782 -3.835 4.716 1.00 0.00 C ATOM 620 C LEU A 36 -5.464 -2.921 5.725 1.00 0.00 C ATOM 621 O LEU A 36 -6.690 -2.857 5.793 1.00 0.00 O ATOM 622 CB LEU A 36 -4.276 -5.094 5.432 1.00 0.00 C ATOM 623 CG LEU A 36 -3.969 -6.300 4.538 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.903 -7.571 5.371 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.014 -6.446 3.444 1.00 0.00 C ATOM 0 H LEU A 36 -2.792 -3.631 4.086 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.495 -4.130 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.371 -4.836 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.022 -5.393 6.168 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.000 -6.134 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.684 -8.420 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.117 -7.475 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.860 -7.731 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.773 -7.309 2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.996 -6.586 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.023 -5.547 2.827 1.00 0.00 H new ATOM 637 N GLY A 37 -4.651 -2.209 6.498 1.00 0.00 N ATOM 638 CA GLY A 37 -5.181 -1.296 7.492 1.00 0.00 C ATOM 639 C GLY A 37 -6.048 -0.220 6.871 1.00 0.00 C ATOM 640 O GLY A 37 -6.921 0.341 7.529 1.00 0.00 O ATOM 0 H GLY A 37 -3.633 -2.249 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.765 -1.855 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.357 -0.830 8.032 1.00 0.00 H new ATOM 644 N LEU A 38 -5.807 0.063 5.595 1.00 0.00 N ATOM 645 CA LEU A 38 -6.576 1.070 4.875 1.00 0.00 C ATOM 646 C LEU A 38 -7.913 0.485 4.446 1.00 0.00 C ATOM 647 O LEU A 38 -8.930 1.178 4.410 1.00 0.00 O ATOM 648 CB LEU A 38 -5.799 1.565 3.656 1.00 0.00 C ATOM 649 CG LEU A 38 -4.449 2.211 3.973 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.745 2.618 2.690 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.626 3.415 4.890 1.00 0.00 C ATOM 0 H LEU A 38 -5.084 -0.392 5.038 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.753 1.918 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.634 0.724 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.414 2.287 3.120 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.832 1.478 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.786 3.076 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.581 1.737 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.363 3.333 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.653 3.858 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.262 4.153 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.090 3.096 5.823 1.00 0.00 H new ATOM 663 N ILE A 39 -7.900 -0.807 4.138 1.00 0.00 N ATOM 664 CA ILE A 39 -9.101 -1.515 3.727 1.00 0.00 C ATOM 665 C ILE A 39 -9.847 -2.048 4.949 1.00 0.00 C ATOM 666 O ILE A 39 -11.044 -2.326 4.887 1.00 0.00 O ATOM 667 CB ILE A 39 -8.772 -2.681 2.751 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.883 -4.049 3.439 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.382 -2.510 2.154 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.443 -5.209 2.566 1.00 0.00 C ATOM 0 H ILE A 39 -7.062 -1.387 4.167 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.738 -0.806 3.199 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.510 -2.647 1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.279 -4.039 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.917 -4.209 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.174 -3.337 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.335 -1.569 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.641 -2.502 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.550 -6.142 3.120 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.063 -5.246 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.400 -5.074 2.280 1.00 0.00 H new ATOM 682 N LYS A 40 -9.122 -2.193 6.057 1.00 0.00 N ATOM 683 CA LYS A 40 -9.704 -2.702 7.296 1.00 0.00 C ATOM 684 C LYS A 40 -10.948 -1.903 7.705 1.00 0.00 C ATOM 685 O LYS A 40 -12.045 -2.456 7.766 1.00 0.00 O ATOM 686 CB LYS A 40 -8.665 -2.692 8.424 1.00 0.00 C ATOM 687 CG LYS A 40 -7.804 -3.947 8.486 1.00 0.00 C ATOM 688 CD LYS A 40 -8.641 -5.216 8.454 1.00 0.00 C ATOM 689 CE LYS A 40 -7.875 -6.403 9.012 1.00 0.00 C ATOM 690 NZ LYS A 40 -8.431 -7.699 8.532 1.00 0.00 N ATOM 0 H LYS A 40 -8.130 -1.965 6.121 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.015 -3.731 7.115 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.016 -1.825 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.180 -2.570 9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.108 -3.951 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.205 -3.931 9.397 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.553 -5.066 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.944 -5.427 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.827 -6.328 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.906 -6.376 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.570 -8.338 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.343 -7.532 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.768 -8.133 7.858 1.00 0.00 H new ATOM 704 N PRO A 41 -10.808 -0.591 7.988 1.00 0.00 N ATOM 705 CA PRO A 41 -11.949 0.244 8.382 1.00 0.00 C ATOM 706 C PRO A 41 -13.119 0.094 7.419 1.00 0.00 C ATOM 707 O PRO A 41 -14.278 0.038 7.835 1.00 0.00 O ATOM 708 CB PRO A 41 -11.389 1.670 8.336 1.00 0.00 C ATOM 709 CG PRO A 41 -9.922 1.513 8.530 1.00 0.00 C ATOM 710 CD PRO A 41 -9.551 0.177 7.943 1.00 0.00 C ATOM 0 HA PRO A 41 -12.342 -0.032 9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.612 2.151 7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.826 2.291 9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.378 2.318 8.036 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.664 1.556 9.588 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.181 0.278 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.765 -0.309 8.521 1.00 0.00 H new ATOM 718 N LEU A 42 -12.812 0.010 6.131 1.00 0.00 N ATOM 719 CA LEU A 42 -13.847 -0.154 5.124 1.00 0.00 C ATOM 720 C LEU A 42 -14.591 -1.457 5.354 1.00 0.00 C ATOM 721 O LEU A 42 -15.799 -1.538 5.145 1.00 0.00 O ATOM 722 CB LEU A 42 -13.250 -0.147 3.721 1.00 0.00 C ATOM 723 CG LEU A 42 -12.308 1.013 3.418 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.411 0.656 2.249 1.00 0.00 C ATOM 725 CD2 LEU A 42 -13.096 2.281 3.127 1.00 0.00 C ATOM 0 H LEU A 42 -11.862 0.053 5.763 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.540 0.683 5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.709 -1.081 3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.065 -0.130 2.998 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.685 1.199 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.740 1.489 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.824 -0.228 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.023 0.451 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.406 3.097 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.743 2.118 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.705 2.538 3.994 1.00 0.00 H new ATOM 737 N GLU A 43 -13.864 -2.479 5.802 1.00 0.00 N ATOM 738 CA GLU A 43 -14.472 -3.772 6.069 1.00 0.00 C ATOM 739 C GLU A 43 -15.674 -3.600 6.989 1.00 0.00 C ATOM 740 O GLU A 43 -16.660 -4.325 6.886 1.00 0.00 O ATOM 741 CB GLU A 43 -13.462 -4.733 6.702 1.00 0.00 C ATOM 742 CG GLU A 43 -12.239 -4.989 5.838 1.00 0.00 C ATOM 743 CD GLU A 43 -11.541 -6.289 6.186 1.00 0.00 C ATOM 744 OE1 GLU A 43 -10.966 -6.376 7.292 1.00 0.00 O ATOM 745 OE2 GLU A 43 -11.570 -7.220 5.353 1.00 0.00 O ATOM 0 H GLU A 43 -12.862 -2.434 5.985 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.801 -4.198 5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.140 -4.328 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.956 -5.683 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.537 -5.010 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.538 -4.162 5.953 1.00 0.00 H new ATOM 752 N MET A 44 -15.591 -2.618 7.881 1.00 0.00 N ATOM 753 CA MET A 44 -16.681 -2.339 8.803 1.00 0.00 C ATOM 754 C MET A 44 -17.764 -1.513 8.111 1.00 0.00 C ATOM 755 O MET A 44 -18.925 -1.525 8.520 1.00 0.00 O ATOM 756 CB MET A 44 -16.161 -1.594 10.033 1.00 0.00 C ATOM 757 CG MET A 44 -15.474 -2.497 11.046 1.00 0.00 C ATOM 758 SD MET A 44 -14.580 -1.571 12.308 1.00 0.00 S ATOM 759 CE MET A 44 -12.898 -2.093 11.983 1.00 0.00 C ATOM 0 H MET A 44 -14.782 -2.005 7.983 1.00 0.00 H new ATOM 0 HA MET A 44 -17.113 -3.287 9.123 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.460 -0.823 9.711 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.994 -1.085 10.518 1.00 0.00 H new ATOM 0 HG2 MET A 44 -16.219 -3.131 11.526 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.780 -3.158 10.526 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.223 -1.604 12.685 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.823 -3.174 12.101 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.622 -1.819 10.965 1.00 0.00 H new ATOM 769 N LEU A 45 -17.368 -0.787 7.068 1.00 0.00 N ATOM 770 CA LEU A 45 -18.296 0.057 6.321 1.00 0.00 C ATOM 771 C LEU A 45 -18.943 -0.689 5.152 1.00 0.00 C ATOM 772 O LEU A 45 -20.167 -0.798 5.079 1.00 0.00 O ATOM 773 CB LEU A 45 -17.567 1.293 5.793 1.00 0.00 C ATOM 774 CG LEU A 45 -17.566 2.499 6.731 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.527 2.324 7.826 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.309 3.776 5.947 1.00 0.00 C ATOM 0 H LEU A 45 -16.409 -0.767 6.721 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.089 0.353 7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.534 1.021 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.024 1.588 4.848 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.546 2.573 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -16.542 3.193 8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -16.754 1.428 8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.539 2.225 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.311 4.627 6.628 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.340 3.710 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -18.091 3.907 5.199 1.00 0.00 H new ATOM 788 N GLN A 46 -18.119 -1.172 4.222 1.00 0.00 N ATOM 789 CA GLN A 46 -18.627 -1.871 3.042 1.00 0.00 C ATOM 790 C GLN A 46 -19.120 -3.285 3.360 1.00 0.00 C ATOM 791 O GLN A 46 -20.214 -3.669 2.946 1.00 0.00 O ATOM 792 CB GLN A 46 -17.554 -1.920 1.950 1.00 0.00 C ATOM 793 CG GLN A 46 -16.368 -2.811 2.283 1.00 0.00 C ATOM 794 CD GLN A 46 -16.587 -4.252 1.866 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.295 -4.530 0.899 1.00 0.00 O ATOM 796 NE2 GLN A 46 -15.976 -5.180 2.596 1.00 0.00 N ATOM 0 H GLN A 46 -17.103 -1.093 4.262 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.487 -1.305 2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.009 -2.271 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.194 -0.908 1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.477 -2.424 1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.178 -2.772 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.398 -4.905 3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.085 -6.167 2.362 1.00 0.00 H new ATOM 805 N ASP A 47 -18.315 -4.063 4.076 1.00 0.00 N ATOM 806 CA ASP A 47 -18.693 -5.433 4.414 1.00 0.00 C ATOM 807 C ASP A 47 -19.987 -5.469 5.222 1.00 0.00 C ATOM 808 O ASP A 47 -20.972 -6.075 4.803 1.00 0.00 O ATOM 809 CB ASP A 47 -17.571 -6.127 5.188 1.00 0.00 C ATOM 810 CG ASP A 47 -17.357 -7.558 4.736 1.00 0.00 C ATOM 811 OD1 ASP A 47 -17.140 -7.772 3.525 1.00 0.00 O ATOM 812 OD2 ASP A 47 -17.404 -8.465 5.594 1.00 0.00 O ATOM 0 H ASP A 47 -17.404 -3.773 4.431 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.861 -5.968 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.645 -5.566 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.807 -6.116 6.252 1.00 0.00 H new ATOM 928 N SER A 55 -21.032 7.574 -4.617 1.00 0.00 N ATOM 929 CA SER A 55 -21.046 8.923 -5.171 1.00 0.00 C ATOM 930 C SER A 55 -19.871 9.131 -6.121 1.00 0.00 C ATOM 931 O SER A 55 -19.089 8.214 -6.367 1.00 0.00 O ATOM 932 CB SER A 55 -20.999 9.959 -4.047 1.00 0.00 C ATOM 933 OG SER A 55 -20.343 9.441 -2.902 1.00 0.00 O ATOM 0 HA SER A 55 -21.971 9.050 -5.733 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.480 10.853 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 55 -22.013 10.261 -3.784 1.00 0.00 H new ATOM 0 HG SER A 55 -20.388 8.462 -2.914 1.00 0.00 H new ATOM 939 N GLU A 56 -19.754 10.344 -6.651 1.00 0.00 N ATOM 940 CA GLU A 56 -18.673 10.673 -7.573 1.00 0.00 C ATOM 941 C GLU A 56 -17.345 10.801 -6.834 1.00 0.00 C ATOM 942 O GLU A 56 -16.387 10.089 -7.130 1.00 0.00 O ATOM 943 CB GLU A 56 -18.986 11.973 -8.315 1.00 0.00 C ATOM 944 CG GLU A 56 -19.633 11.755 -9.673 1.00 0.00 C ATOM 945 CD GLU A 56 -19.186 12.775 -10.702 1.00 0.00 C ATOM 946 OE1 GLU A 56 -18.117 12.573 -11.313 1.00 0.00 O ATOM 947 OE2 GLU A 56 -19.907 13.777 -10.896 1.00 0.00 O ATOM 0 H GLU A 56 -20.394 11.115 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.587 9.862 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.648 12.583 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.063 12.538 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.391 10.754 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.717 11.802 -9.567 1.00 0.00 H new ATOM 954 N LYS A 57 -17.296 11.714 -5.870 1.00 0.00 N ATOM 955 CA LYS A 57 -16.085 11.936 -5.089 1.00 0.00 C ATOM 956 C LYS A 57 -15.638 10.649 -4.402 1.00 0.00 C ATOM 957 O LYS A 57 -14.448 10.339 -4.357 1.00 0.00 O ATOM 958 CB LYS A 57 -16.324 13.029 -4.046 1.00 0.00 C ATOM 959 CG LYS A 57 -15.689 14.363 -4.407 1.00 0.00 C ATOM 960 CD LYS A 57 -16.730 15.369 -4.874 1.00 0.00 C ATOM 961 CE LYS A 57 -17.236 16.227 -3.725 1.00 0.00 C ATOM 962 NZ LYS A 57 -18.719 16.171 -3.601 1.00 0.00 N ATOM 0 H LYS A 57 -18.081 12.312 -5.611 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.295 12.256 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.397 13.170 -3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.930 12.696 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.160 14.761 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.948 14.214 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.298 16.009 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.567 14.841 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.781 15.891 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.923 17.260 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.024 16.769 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.154 16.516 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.016 15.189 -3.429 1.00 0.00 H new ATOM 976 N LEU A 58 -16.600 9.905 -3.869 1.00 0.00 N ATOM 977 CA LEU A 58 -16.305 8.652 -3.185 1.00 0.00 C ATOM 978 C LEU A 58 -15.695 7.638 -4.144 1.00 0.00 C ATOM 979 O LEU A 58 -14.629 7.084 -3.881 1.00 0.00 O ATOM 980 CB LEU A 58 -17.575 8.077 -2.555 1.00 0.00 C ATOM 981 CG LEU A 58 -17.414 6.702 -1.901 1.00 0.00 C ATOM 982 CD1 LEU A 58 -16.214 6.690 -0.965 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.681 6.319 -1.151 1.00 0.00 C ATOM 0 H LEU A 58 -17.590 10.148 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.581 8.861 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.938 8.778 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -18.344 8.008 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.242 5.966 -2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -16.117 5.704 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.310 6.920 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.354 7.437 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.550 5.339 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.883 7.059 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.519 6.285 -1.847 1.00 0.00 H new ATOM 995 N THR A 59 -16.379 7.399 -5.258 1.00 0.00 N ATOM 996 CA THR A 59 -15.896 6.450 -6.254 1.00 0.00 C ATOM 997 C THR A 59 -14.549 6.898 -6.811 1.00 0.00 C ATOM 998 O THR A 59 -13.680 6.074 -7.092 1.00 0.00 O ATOM 999 CB THR A 59 -16.920 6.290 -7.386 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.651 5.123 -8.140 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.954 7.459 -8.349 1.00 0.00 C ATOM 0 H THR A 59 -17.265 7.847 -5.493 1.00 0.00 H new ATOM 0 HA THR A 59 -15.763 5.482 -5.771 1.00 0.00 H new ATOM 0 HB THR A 59 -17.887 6.231 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.314 5.036 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.701 7.273 -9.121 1.00 0.00 H new ATOM 0 HG22 THR A 59 -17.211 8.369 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.975 7.577 -8.813 1.00 0.00 H new ATOM 1009 N THR A 60 -14.379 8.210 -6.962 1.00 0.00 N ATOM 1010 CA THR A 60 -13.131 8.759 -7.477 1.00 0.00 C ATOM 1011 C THR A 60 -11.991 8.473 -6.504 1.00 0.00 C ATOM 1012 O THR A 60 -10.864 8.199 -6.914 1.00 0.00 O ATOM 1013 CB THR A 60 -13.271 10.267 -7.735 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.773 10.600 -9.019 1.00 0.00 O ATOM 1015 CG2 THR A 60 -12.549 11.136 -6.729 1.00 0.00 C ATOM 0 H THR A 60 -15.087 8.908 -6.736 1.00 0.00 H new ATOM 0 HA THR A 60 -12.900 8.277 -8.427 1.00 0.00 H new ATOM 0 HB THR A 60 -14.339 10.467 -7.650 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.871 11.564 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 60 -12.698 12.186 -6.982 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.945 10.944 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.484 10.906 -6.747 1.00 0.00 H new ATOM 1023 N ALA A 61 -12.301 8.517 -5.211 1.00 0.00 N ATOM 1024 CA ALA A 61 -11.307 8.238 -4.185 1.00 0.00 C ATOM 1025 C ALA A 61 -10.952 6.767 -4.218 1.00 0.00 C ATOM 1026 O ALA A 61 -9.792 6.395 -4.402 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.826 8.620 -2.810 1.00 0.00 C ATOM 0 H ALA A 61 -13.229 8.742 -4.852 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.417 8.834 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.065 8.402 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.059 9.685 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.727 8.048 -2.589 1.00 0.00 H new ATOM 1033 N MET A 62 -11.973 5.930 -4.072 1.00 0.00 N ATOM 1034 CA MET A 62 -11.788 4.496 -4.118 1.00 0.00 C ATOM 1035 C MET A 62 -11.182 4.112 -5.460 1.00 0.00 C ATOM 1036 O MET A 62 -10.409 3.161 -5.558 1.00 0.00 O ATOM 1037 CB MET A 62 -13.123 3.789 -3.901 1.00 0.00 C ATOM 1038 CG MET A 62 -13.822 4.201 -2.614 1.00 0.00 C ATOM 1039 SD MET A 62 -15.553 3.699 -2.568 1.00 0.00 S ATOM 1040 CE MET A 62 -15.459 2.114 -3.392 1.00 0.00 C ATOM 0 H MET A 62 -12.937 6.227 -3.921 1.00 0.00 H new ATOM 0 HA MET A 62 -11.109 4.186 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.779 4.000 -4.746 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.957 2.712 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.298 3.762 -1.765 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.759 5.283 -2.502 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.261 1.469 -3.033 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.562 2.256 -4.468 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.497 1.649 -3.178 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.509 4.892 -6.494 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.960 4.653 -7.820 1.00 0.00 C ATOM 1052 C ASN A 63 -9.457 4.845 -7.761 1.00 0.00 C ATOM 1053 O ASN A 63 -8.686 3.984 -8.185 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.570 5.615 -8.844 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.821 5.061 -9.495 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.886 3.882 -9.841 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.824 5.916 -9.667 1.00 0.00 N ATOM 0 H ASN A 63 -12.146 5.686 -6.434 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.199 3.636 -8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.808 6.558 -8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.831 5.835 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.692 5.603 -10.101 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.726 6.885 -9.364 1.00 0.00 H new ATOM 1064 N ARG A 64 -9.050 5.973 -7.189 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.641 6.275 -7.019 1.00 0.00 C ATOM 1066 C ARG A 64 -7.023 5.221 -6.116 1.00 0.00 C ATOM 1067 O ARG A 64 -5.881 4.813 -6.300 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.466 7.662 -6.395 1.00 0.00 C ATOM 1069 CG ARG A 64 -6.975 8.716 -7.370 1.00 0.00 C ATOM 1070 CD ARG A 64 -8.036 9.776 -7.632 1.00 0.00 C ATOM 1071 NE ARG A 64 -8.112 10.136 -9.046 1.00 0.00 N ATOM 1072 CZ ARG A 64 -8.487 9.294 -10.007 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -8.824 8.044 -9.710 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -8.526 9.701 -11.267 1.00 0.00 N ATOM 0 H ARG A 64 -9.681 6.692 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.147 6.270 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.419 7.984 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.761 7.591 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.077 9.190 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.695 8.240 -8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.006 9.408 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.813 10.666 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.863 11.089 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.796 7.725 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.110 7.403 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.269 10.660 -11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.813 9.056 -12.003 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.811 4.785 -5.137 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.389 3.771 -4.182 1.00 0.00 C ATOM 1090 C PHE A 65 -7.082 2.463 -4.892 1.00 0.00 C ATOM 1091 O PHE A 65 -5.965 1.950 -4.824 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.502 3.563 -3.162 1.00 0.00 C ATOM 1093 CG PHE A 65 -8.076 2.946 -1.859 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.749 2.937 -1.442 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -9.034 2.381 -1.040 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.398 2.368 -0.231 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.691 1.816 0.168 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.370 1.807 0.575 1.00 0.00 C ATOM 0 H PHE A 65 -8.760 5.126 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.482 4.104 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.965 4.527 -2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.269 2.931 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.987 3.377 -2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.068 2.382 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.365 2.362 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.453 1.380 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.098 1.362 1.521 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.084 1.935 -5.582 1.00 0.00 N ATOM 1109 CA LYS A 66 -7.938 0.696 -6.322 1.00 0.00 C ATOM 1110 C LYS A 66 -6.796 0.816 -7.326 1.00 0.00 C ATOM 1111 O LYS A 66 -6.093 -0.155 -7.607 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.277 0.373 -7.000 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.176 -0.313 -8.346 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.491 0.645 -9.485 1.00 0.00 C ATOM 1115 CE LYS A 66 -8.279 0.874 -10.369 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.431 2.088 -11.219 1.00 0.00 N ATOM 0 H LYS A 66 -9.013 2.352 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.683 -0.125 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.860 -0.261 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.834 1.301 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.172 -0.716 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.865 -1.157 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.309 0.244 -10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.831 1.597 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.390 0.976 -9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.124 0.003 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.538 2.276 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.190 1.933 -11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.671 2.904 -10.620 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.608 2.021 -7.844 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.541 2.285 -8.799 1.00 0.00 C ATOM 1132 C ALA A 67 -4.192 2.380 -8.091 1.00 0.00 C ATOM 1133 O ALA A 67 -3.228 1.716 -8.478 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.827 3.561 -9.576 1.00 0.00 C ATOM 0 H ALA A 67 -7.182 2.833 -7.618 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.498 1.453 -9.502 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.020 3.744 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.768 3.455 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.899 4.400 -8.884 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.129 3.198 -7.040 1.00 0.00 N ATOM 1141 CA ALA A 68 -2.896 3.356 -6.279 1.00 0.00 C ATOM 1142 C ALA A 68 -2.400 1.996 -5.806 1.00 0.00 C ATOM 1143 O ALA A 68 -1.196 1.752 -5.727 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.091 4.305 -5.102 1.00 0.00 C ATOM 0 H ALA A 68 -4.912 3.756 -6.701 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.142 3.797 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.154 4.402 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.399 5.283 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.860 3.909 -4.439 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.345 1.103 -5.519 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.011 -0.245 -5.083 1.00 0.00 C ATOM 1152 C LEU A 69 -2.207 -0.948 -6.162 1.00 0.00 C ATOM 1153 O LEU A 69 -1.114 -1.451 -5.908 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.281 -1.036 -4.782 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.845 -0.822 -3.383 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.351 -1.035 -3.375 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.158 -1.751 -2.395 1.00 0.00 C ATOM 0 H LEU A 69 -4.346 1.291 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.415 -0.183 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.044 -0.765 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.073 -2.097 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.651 0.207 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.735 -0.878 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.822 -0.328 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.576 -2.052 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.569 -1.590 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.324 -2.786 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.088 -1.544 -2.384 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.750 -0.956 -7.379 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.075 -1.572 -8.516 1.00 0.00 C ATOM 1171 C GLU A 70 -0.607 -1.166 -8.523 1.00 0.00 C ATOM 1172 O GLU A 70 0.261 -1.937 -8.927 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.744 -1.156 -9.826 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.061 -1.868 -10.088 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.859 -1.226 -11.207 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -4.356 -1.193 -12.350 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.985 -0.756 -10.941 1.00 0.00 O ATOM 0 H GLU A 70 -3.656 -0.542 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.147 -2.656 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.919 -0.080 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.062 -1.356 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.863 -2.910 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.657 -1.868 -9.176 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.340 0.045 -8.037 1.00 0.00 N ATOM 1185 CA GLU A 71 1.025 0.540 -7.951 1.00 0.00 C ATOM 1186 C GLU A 71 1.806 -0.321 -6.968 1.00 0.00 C ATOM 1187 O GLU A 71 2.871 -0.842 -7.294 1.00 0.00 O ATOM 1188 CB GLU A 71 1.046 2.003 -7.503 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.009 2.864 -8.179 1.00 0.00 C ATOM 1190 CD GLU A 71 0.072 2.807 -9.692 1.00 0.00 C ATOM 1191 OE1 GLU A 71 0.058 1.687 -10.246 1.00 0.00 O ATOM 1192 OE2 GLU A 71 0.149 3.882 -10.323 1.00 0.00 O ATOM 0 H GLU A 71 -1.049 0.696 -7.699 1.00 0.00 H new ATOM 0 HA GLU A 71 1.487 0.484 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.900 2.045 -6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.031 2.423 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.998 2.537 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.106 3.897 -7.852 1.00 0.00 H new ATOM 1199 N ALA A 72 1.252 -0.488 -5.766 1.00 0.00 N ATOM 1200 CA ALA A 72 1.884 -1.314 -4.748 1.00 0.00 C ATOM 1201 C ALA A 72 1.921 -2.761 -5.220 1.00 0.00 C ATOM 1202 O ALA A 72 2.965 -3.411 -5.194 1.00 0.00 O ATOM 1203 CB ALA A 72 1.136 -1.197 -3.429 1.00 0.00 C ATOM 0 H ALA A 72 0.371 -0.062 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 72 2.905 -0.968 -4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.622 -1.821 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.143 -0.159 -3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.106 -1.527 -3.564 1.00 0.00 H new ATOM 1209 N ASN A 73 0.768 -3.246 -5.677 1.00 0.00 N ATOM 1210 CA ASN A 73 0.653 -4.605 -6.188 1.00 0.00 C ATOM 1211 C ASN A 73 1.662 -4.828 -7.307 1.00 0.00 C ATOM 1212 O ASN A 73 2.348 -5.849 -7.354 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.764 -4.852 -6.714 1.00 0.00 C ATOM 1214 CG ASN A 73 -0.934 -6.238 -7.306 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -0.862 -6.420 -8.521 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.159 -7.222 -6.446 1.00 0.00 N ATOM 0 H ASN A 73 -0.101 -2.713 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 73 0.858 -5.303 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.478 -4.718 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.001 -4.106 -7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.280 -8.177 -6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.211 -7.024 -5.447 1.00 0.00 H new ATOM 1223 N GLY A 74 1.750 -3.849 -8.202 1.00 0.00 N ATOM 1224 CA GLY A 74 2.683 -3.935 -9.308 1.00 0.00 C ATOM 1225 C GLY A 74 4.113 -3.789 -8.841 1.00 0.00 C ATOM 1226 O GLY A 74 5.001 -4.507 -9.297 1.00 0.00 O ATOM 0 H GLY A 74 1.190 -2.997 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.561 -4.892 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.456 -3.157 -10.037 1.00 0.00 H new ATOM 1230 N GLU A 75 4.329 -2.865 -7.911 1.00 0.00 N ATOM 1231 CA GLU A 75 5.656 -2.636 -7.360 1.00 0.00 C ATOM 1232 C GLU A 75 6.131 -3.885 -6.631 1.00 0.00 C ATOM 1233 O GLU A 75 7.284 -4.295 -6.757 1.00 0.00 O ATOM 1234 CB GLU A 75 5.637 -1.434 -6.410 1.00 0.00 C ATOM 1235 CG GLU A 75 5.649 -0.095 -7.126 1.00 0.00 C ATOM 1236 CD GLU A 75 7.026 0.279 -7.641 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.570 -0.472 -8.479 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.559 1.320 -7.205 1.00 0.00 O ATOM 0 H GLU A 75 3.601 -2.264 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 75 6.348 -2.418 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.749 -1.492 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.501 -1.491 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.949 -0.128 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.297 0.680 -6.445 1.00 0.00 H new ATOM 1245 N ILE A 76 5.218 -4.497 -5.884 1.00 0.00 N ATOM 1246 CA ILE A 76 5.516 -5.713 -5.149 1.00 0.00 C ATOM 1247 C ILE A 76 5.599 -6.901 -6.104 1.00 0.00 C ATOM 1248 O ILE A 76 6.310 -7.872 -5.846 1.00 0.00 O ATOM 1249 CB ILE A 76 4.442 -5.994 -4.078 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.348 -4.825 -3.098 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.751 -7.287 -3.336 1.00 0.00 C ATOM 1252 CD1 ILE A 76 3.016 -4.740 -2.386 1.00 0.00 C ATOM 0 H ILE A 76 4.260 -4.165 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 76 6.477 -5.574 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 76 3.479 -6.106 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.142 -4.918 -2.357 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.523 -3.894 -3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.982 -7.468 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.770 -8.117 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.722 -7.203 -2.848 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.020 -3.888 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.219 -4.616 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.848 -5.655 -1.819 1.00 0.00 H new ATOM 1264 N GLU A 77 4.866 -6.811 -7.210 1.00 0.00 N ATOM 1265 CA GLU A 77 4.855 -7.869 -8.211 1.00 0.00 C ATOM 1266 C GLU A 77 6.115 -7.811 -9.068 1.00 0.00 C ATOM 1267 O GLU A 77 6.714 -8.841 -9.379 1.00 0.00 O ATOM 1268 CB GLU A 77 3.612 -7.747 -9.096 1.00 0.00 C ATOM 1269 CG GLU A 77 3.558 -8.773 -10.217 1.00 0.00 C ATOM 1270 CD GLU A 77 2.263 -9.564 -10.224 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.696 -9.784 -9.133 1.00 0.00 O ATOM 1272 OE2 GLU A 77 1.816 -9.962 -11.320 1.00 0.00 O ATOM 0 H GLU A 77 4.271 -6.013 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 77 4.830 -8.829 -7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.723 -7.853 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.581 -6.747 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.674 -8.265 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.398 -9.460 -10.116 1.00 0.00 H new ATOM 1279 N LYS A 78 6.516 -6.599 -9.439 1.00 0.00 N ATOM 1280 CA LYS A 78 7.709 -6.408 -10.254 1.00 0.00 C ATOM 1281 C LYS A 78 8.974 -6.622 -9.425 1.00 0.00 C ATOM 1282 O LYS A 78 10.055 -6.839 -9.971 1.00 0.00 O ATOM 1283 CB LYS A 78 7.716 -5.004 -10.866 1.00 0.00 C ATOM 1284 CG LYS A 78 7.862 -5.003 -12.379 1.00 0.00 C ATOM 1285 CD LYS A 78 6.522 -4.800 -13.068 1.00 0.00 C ATOM 1286 CE LYS A 78 5.545 -5.913 -12.723 1.00 0.00 C ATOM 1287 NZ LYS A 78 5.751 -7.117 -13.575 1.00 0.00 N ATOM 0 H LYS A 78 6.033 -5.736 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 78 7.693 -7.146 -11.056 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.790 -4.495 -10.598 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.533 -4.430 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.550 -4.212 -12.679 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.300 -5.947 -12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.101 -3.839 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.668 -4.764 -14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.662 -6.186 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.524 -5.551 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.066 -7.852 -13.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.615 -6.863 -14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.717 -7.478 -13.438 1.00 0.00 H new ATOM 1301 N PHE A 79 8.830 -6.560 -8.104 1.00 0.00 N ATOM 1302 CA PHE A 79 9.961 -6.746 -7.204 1.00 0.00 C ATOM 1303 C PHE A 79 10.015 -8.176 -6.665 1.00 0.00 C ATOM 1304 O PHE A 79 10.867 -8.502 -5.840 1.00 0.00 O ATOM 1305 CB PHE A 79 9.874 -5.757 -6.042 1.00 0.00 C ATOM 1306 CG PHE A 79 10.402 -4.390 -6.371 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.592 -4.241 -7.068 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.709 -3.255 -5.986 1.00 0.00 C ATOM 1309 CE1 PHE A 79 12.079 -2.984 -7.372 1.00 0.00 C ATOM 1310 CE2 PHE A 79 10.192 -1.996 -6.288 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.378 -1.860 -6.981 1.00 0.00 C ATOM 0 H PHE A 79 7.942 -6.383 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 79 10.874 -6.562 -7.771 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.834 -5.669 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.430 -6.157 -5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.144 -5.117 -7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.780 -3.355 -5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.007 -2.881 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.642 -1.119 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.757 -0.877 -7.217 1.00 0.00 H new ATOM 1321 N SER A 80 9.102 -9.024 -7.132 1.00 0.00 N ATOM 1322 CA SER A 80 9.055 -10.412 -6.687 1.00 0.00 C ATOM 1323 C SER A 80 10.296 -11.173 -7.141 1.00 0.00 C ATOM 1324 O SER A 80 10.772 -12.072 -6.448 1.00 0.00 O ATOM 1325 CB SER A 80 7.794 -11.097 -7.218 1.00 0.00 C ATOM 1326 OG SER A 80 7.019 -11.631 -6.159 1.00 0.00 O ATOM 0 H SER A 80 8.388 -8.775 -7.816 1.00 0.00 H new ATOM 0 HA SER A 80 9.030 -10.418 -5.597 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.198 -10.381 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.072 -11.894 -7.907 1.00 0.00 H new ATOM 0 HG SER A 80 6.218 -12.062 -6.525 1.00 0.00 H new ATOM 1332 N ASN A 81 10.814 -10.806 -8.308 1.00 0.00 N ATOM 1333 CA ASN A 81 12.001 -11.455 -8.851 1.00 0.00 C ATOM 1334 C ASN A 81 13.268 -10.859 -8.247 1.00 0.00 C ATOM 1335 O ASN A 81 13.500 -9.653 -8.332 1.00 0.00 O ATOM 1336 CB ASN A 81 12.033 -11.316 -10.374 1.00 0.00 C ATOM 1337 CG ASN A 81 11.343 -12.471 -11.074 1.00 0.00 C ATOM 1338 OD1 ASN A 81 10.190 -12.788 -10.785 1.00 0.00 O ATOM 1339 ND2 ASN A 81 12.049 -13.107 -12.001 1.00 0.00 N ATOM 0 H ASN A 81 10.432 -10.064 -8.895 1.00 0.00 H new ATOM 0 HA ASN A 81 11.958 -12.513 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.552 -10.381 -10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.069 -11.258 -10.709 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.638 -13.892 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN A 81 13.003 -12.810 -12.209 1.00 0.00 H new ATOM 1346 N ARG A 82 14.086 -11.712 -7.639 1.00 0.00 N ATOM 1347 CA ARG A 82 15.332 -11.270 -7.021 1.00 0.00 C ATOM 1348 C ARG A 82 16.199 -10.519 -8.027 1.00 0.00 C ATOM 1349 O ARG A 82 16.904 -9.575 -7.670 1.00 0.00 O ATOM 1350 CB ARG A 82 16.100 -12.470 -6.458 1.00 0.00 C ATOM 1351 CG ARG A 82 16.593 -13.436 -7.526 1.00 0.00 C ATOM 1352 CD ARG A 82 17.696 -14.340 -7.000 1.00 0.00 C ATOM 1353 NE ARG A 82 17.220 -15.700 -6.754 1.00 0.00 N ATOM 1354 CZ ARG A 82 16.717 -16.114 -5.591 1.00 0.00 C ATOM 1355 NH1 ARG A 82 16.629 -15.282 -4.561 1.00 0.00 N ATOM 1356 NH2 ARG A 82 16.303 -17.367 -5.459 1.00 0.00 N ATOM 0 H ARG A 82 13.909 -12.713 -7.561 1.00 0.00 H new ATOM 0 HA ARG A 82 15.086 -10.592 -6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.954 -12.108 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.456 -13.009 -5.763 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.760 -14.045 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.962 -12.873 -8.384 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.515 -14.367 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.096 -13.923 -6.076 1.00 0.00 H new ATOM 0 HE ARG A 82 17.276 -16.373 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.947 -14.318 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.243 -15.607 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.370 -18.012 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.918 -17.686 -4.570 1.00 0.00 H new ATOM 1370 N SER A 83 16.139 -10.943 -9.286 1.00 0.00 N ATOM 1371 CA SER A 83 16.916 -10.308 -10.343 1.00 0.00 C ATOM 1372 C SER A 83 16.551 -8.833 -10.461 1.00 0.00 C ATOM 1373 O SER A 83 17.379 -8.006 -10.844 1.00 0.00 O ATOM 1374 CB SER A 83 16.674 -11.014 -11.678 1.00 0.00 C ATOM 1375 OG SER A 83 17.303 -12.284 -11.705 1.00 0.00 O ATOM 0 H SER A 83 15.561 -11.723 -9.598 1.00 0.00 H new ATOM 0 HA SER A 83 17.973 -10.388 -10.088 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.603 -11.132 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.055 -10.398 -12.493 1.00 0.00 H new ATOM 0 HG SER A 83 17.132 -12.716 -12.568 1.00 0.00 H new ATOM 1381 N ASN A 84 15.307 -8.511 -10.125 1.00 0.00 N ATOM 1382 CA ASN A 84 14.830 -7.136 -10.188 1.00 0.00 C ATOM 1383 C ASN A 84 15.282 -6.353 -8.959 1.00 0.00 C ATOM 1384 O ASN A 84 15.733 -5.214 -9.072 1.00 0.00 O ATOM 1385 CB ASN A 84 13.304 -7.105 -10.293 1.00 0.00 C ATOM 1386 CG ASN A 84 12.806 -7.651 -11.618 1.00 0.00 C ATOM 1387 OD1 ASN A 84 13.476 -7.533 -12.643 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.622 -8.252 -11.601 1.00 0.00 N ATOM 0 H ASN A 84 14.611 -9.185 -9.806 1.00 0.00 H new ATOM 0 HA ASN A 84 15.255 -6.669 -11.076 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.874 -7.688 -9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.955 -6.080 -10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.234 -8.638 -12.461 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.101 -8.327 -10.727 1.00 0.00 H new ATOM 1395 N ILE A 85 15.160 -6.972 -7.788 1.00 0.00 N ATOM 1396 CA ILE A 85 15.557 -6.330 -6.540 1.00 0.00 C ATOM 1397 C ILE A 85 17.048 -6.010 -6.542 1.00 0.00 C ATOM 1398 O ILE A 85 17.443 -4.844 -6.545 1.00 0.00 O ATOM 1399 CB ILE A 85 15.232 -7.226 -5.326 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.718 -7.435 -5.214 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.800 -6.634 -4.040 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.974 -6.277 -4.579 1.00 0.00 C ATOM 0 H ILE A 85 14.790 -7.916 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 85 14.991 -5.402 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 85 15.704 -8.197 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.312 -7.610 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.530 -8.336 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.556 -7.286 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.883 -6.545 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.367 -5.648 -3.871 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.909 -6.507 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.349 -6.114 -3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.128 -5.376 -5.173 1.00 0.00 H new ATOM 1414 N CYS A 86 17.872 -7.054 -6.548 1.00 0.00 N ATOM 1415 CA CYS A 86 19.324 -6.889 -6.553 1.00 0.00 C ATOM 1416 C CYS A 86 19.755 -5.863 -7.597 1.00 0.00 C ATOM 1417 O CYS A 86 20.781 -5.201 -7.445 1.00 0.00 O ATOM 1418 CB CYS A 86 20.008 -8.230 -6.828 1.00 0.00 C ATOM 1419 SG CYS A 86 19.892 -9.410 -5.463 1.00 0.00 S ATOM 0 H CYS A 86 17.559 -8.025 -6.550 1.00 0.00 H new ATOM 0 HA CYS A 86 19.626 -6.527 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.565 -8.676 -7.719 1.00 0.00 H new ATOM 0 HB3 CYS A 86 21.060 -8.051 -7.051 1.00 0.00 H new ATOM 0 HG CYS A 86 18.699 -9.363 -4.949 1.00 0.00 H new ATOM 1425 N ARG A 87 18.960 -5.737 -8.654 1.00 0.00 N ATOM 1426 CA ARG A 87 19.255 -4.792 -9.721 1.00 0.00 C ATOM 1427 C ARG A 87 18.714 -3.406 -9.390 1.00 0.00 C ATOM 1428 O ARG A 87 19.379 -2.399 -9.627 1.00 0.00 O ATOM 1429 CB ARG A 87 18.660 -5.281 -11.041 1.00 0.00 C ATOM 1430 CG ARG A 87 19.560 -6.247 -11.790 1.00 0.00 C ATOM 1431 CD ARG A 87 19.212 -6.295 -13.267 1.00 0.00 C ATOM 1432 NE ARG A 87 20.346 -6.724 -14.081 1.00 0.00 N ATOM 1433 CZ ARG A 87 20.231 -7.341 -15.255 1.00 0.00 C ATOM 1434 NH1 ARG A 87 19.032 -7.598 -15.766 1.00 0.00 N ATOM 1435 NH2 ARG A 87 21.318 -7.702 -15.924 1.00 0.00 N ATOM 0 H ARG A 87 18.107 -6.278 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 87 20.338 -4.723 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.705 -5.767 -10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.454 -4.421 -11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 87 20.601 -5.946 -11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 87 19.465 -7.244 -11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 87 18.376 -6.977 -13.421 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.883 -5.309 -13.594 1.00 0.00 H new ATOM 0 HE ARG A 87 21.285 -6.539 -13.728 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.191 -7.322 -15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.952 -8.071 -16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 87 22.242 -7.507 -15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.230 -8.175 -16.824 1.00 0.00 H new ATOM 1449 N PHE A 88 17.503 -3.358 -8.840 1.00 0.00 N ATOM 1450 CA PHE A 88 16.884 -2.090 -8.483 1.00 0.00 C ATOM 1451 C PHE A 88 17.667 -1.401 -7.366 1.00 0.00 C ATOM 1452 O PHE A 88 17.856 -0.186 -7.390 1.00 0.00 O ATOM 1453 CB PHE A 88 15.420 -2.310 -8.065 1.00 0.00 C ATOM 1454 CG PHE A 88 15.077 -1.733 -6.720 1.00 0.00 C ATOM 1455 CD1 PHE A 88 15.050 -0.361 -6.528 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.798 -2.562 -5.646 1.00 0.00 C ATOM 1457 CE1 PHE A 88 14.753 0.173 -5.290 1.00 0.00 C ATOM 1458 CE2 PHE A 88 14.499 -2.037 -4.412 1.00 0.00 C ATOM 1459 CZ PHE A 88 14.478 -0.666 -4.230 1.00 0.00 C ATOM 0 H PHE A 88 16.935 -4.180 -8.634 1.00 0.00 H new ATOM 0 HA PHE A 88 16.900 -1.440 -9.357 1.00 0.00 H new ATOM 0 HB2 PHE A 88 14.767 -1.866 -8.817 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.212 -3.380 -8.054 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.264 0.298 -7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.816 -3.633 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.736 1.244 -5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 88 14.280 -2.695 -3.584 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.247 -0.253 -3.259 1.00 0.00 H new ATOM 1469 N LEU A 89 18.110 -2.180 -6.384 1.00 0.00 N ATOM 1470 CA LEU A 89 18.863 -1.632 -5.260 1.00 0.00 C ATOM 1471 C LEU A 89 20.114 -0.904 -5.743 1.00 0.00 C ATOM 1472 O LEU A 89 20.255 0.303 -5.545 1.00 0.00 O ATOM 1473 CB LEU A 89 19.253 -2.742 -4.279 1.00 0.00 C ATOM 1474 CG LEU A 89 18.094 -3.587 -3.741 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.604 -4.605 -2.734 1.00 0.00 C ATOM 1476 CD2 LEU A 89 17.026 -2.705 -3.111 1.00 0.00 C ATOM 0 H LEU A 89 17.962 -3.188 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 89 18.221 -0.916 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.964 -3.405 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.772 -2.290 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 89 17.643 -4.120 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.769 -5.198 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.328 -5.262 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.081 -4.087 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 89 16.214 -3.328 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.460 -2.141 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.638 -2.014 -3.859 1.00 0.00 H new ATOM 1488 N THR A 90 21.020 -1.643 -6.375 1.00 0.00 N ATOM 1489 CA THR A 90 22.258 -1.065 -6.884 1.00 0.00 C ATOM 1490 C THR A 90 21.972 0.000 -7.939 1.00 0.00 C ATOM 1491 O THR A 90 22.514 1.103 -7.884 1.00 0.00 O ATOM 1492 CB THR A 90 23.152 -2.158 -7.474 1.00 0.00 C ATOM 1493 OG1 THR A 90 24.334 -1.599 -8.018 1.00 0.00 O ATOM 1494 CG2 THR A 90 22.479 -2.958 -8.569 1.00 0.00 C ATOM 0 H THR A 90 20.920 -2.643 -6.547 1.00 0.00 H new ATOM 0 HA THR A 90 22.776 -0.592 -6.050 1.00 0.00 H new ATOM 0 HB THR A 90 23.376 -2.827 -6.643 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.893 -2.313 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.168 -3.715 -8.943 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.588 -3.443 -8.170 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.195 -2.292 -9.384 1.00 0.00 H new ATOM 1502 N ALA A 91 21.116 -0.339 -8.898 1.00 0.00 N ATOM 1503 CA ALA A 91 20.757 0.587 -9.966 1.00 0.00 C ATOM 1504 C ALA A 91 20.023 1.805 -9.415 1.00 0.00 C ATOM 1505 O ALA A 91 20.063 2.885 -10.004 1.00 0.00 O ATOM 1506 CB ALA A 91 19.901 -0.119 -11.006 1.00 0.00 C ATOM 0 H ALA A 91 20.658 -1.248 -8.957 1.00 0.00 H new ATOM 0 HA ALA A 91 21.676 0.933 -10.438 1.00 0.00 H new ATOM 0 HB1 ALA A 91 19.639 0.582 -11.798 1.00 0.00 H new ATOM 0 HB2 ALA A 91 20.459 -0.954 -11.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.991 -0.492 -10.536 1.00 0.00 H new ATOM 1512 N SER A 92 19.347 1.622 -8.285 1.00 0.00 N ATOM 1513 CA SER A 92 18.599 2.704 -7.657 1.00 0.00 C ATOM 1514 C SER A 92 17.485 3.195 -8.576 1.00 0.00 C ATOM 1515 O SER A 92 17.549 4.304 -9.107 1.00 0.00 O ATOM 1516 CB SER A 92 19.536 3.861 -7.301 1.00 0.00 C ATOM 1517 OG SER A 92 19.964 3.773 -5.953 1.00 0.00 O ATOM 0 H SER A 92 19.302 0.734 -7.786 1.00 0.00 H new ATOM 0 HA SER A 92 18.148 2.321 -6.742 1.00 0.00 H new ATOM 0 HB2 SER A 92 20.402 3.849 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.025 4.810 -7.463 1.00 0.00 H new ATOM 0 HG SER A 92 20.563 4.522 -5.750 1.00 0.00 H new ATOM 1523 N GLN A 93 16.465 2.361 -8.765 1.00 0.00 N ATOM 1524 CA GLN A 93 15.343 2.716 -9.625 1.00 0.00 C ATOM 1525 C GLN A 93 14.658 3.983 -9.127 1.00 0.00 C ATOM 1526 O GLN A 93 14.484 4.942 -9.880 1.00 0.00 O ATOM 1527 CB GLN A 93 14.335 1.565 -9.683 1.00 0.00 C ATOM 1528 CG GLN A 93 13.130 1.855 -10.564 1.00 0.00 C ATOM 1529 CD GLN A 93 13.430 1.675 -12.039 1.00 0.00 C ATOM 1530 OE1 GLN A 93 14.542 1.305 -12.417 1.00 0.00 O ATOM 1531 NE2 GLN A 93 12.438 1.936 -12.882 1.00 0.00 N ATOM 0 H GLN A 93 16.394 1.439 -8.335 1.00 0.00 H new ATOM 0 HA GLN A 93 15.729 2.903 -10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.838 0.671 -10.052 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.991 1.343 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.310 1.195 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.793 2.876 -10.388 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.532 2.240 -12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.582 1.832 -13.886 1.00 0.00 H new ATOM 1540 N ASP A 94 14.271 3.987 -7.855 1.00 0.00 N ATOM 1541 CA ASP A 94 13.610 5.142 -7.266 1.00 0.00 C ATOM 1542 C ASP A 94 14.104 5.393 -5.843 1.00 0.00 C ATOM 1543 O ASP A 94 13.517 6.188 -5.108 1.00 0.00 O ATOM 1544 CB ASP A 94 12.101 4.918 -7.259 1.00 0.00 C ATOM 1545 CG ASP A 94 11.412 5.578 -8.437 1.00 0.00 C ATOM 1546 OD1 ASP A 94 11.540 6.812 -8.585 1.00 0.00 O ATOM 1547 OD2 ASP A 94 10.743 4.861 -9.211 1.00 0.00 O ATOM 0 H ASP A 94 14.404 3.204 -7.215 1.00 0.00 H new ATOM 0 HA ASP A 94 13.849 6.019 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.896 3.848 -7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.683 5.309 -6.332 1.00 0.00 H new ATOM 1552 N LYS A 95 15.174 4.696 -5.450 1.00 0.00 N ATOM 1553 CA LYS A 95 15.736 4.827 -4.108 1.00 0.00 C ATOM 1554 C LYS A 95 14.913 4.031 -3.095 1.00 0.00 C ATOM 1555 O LYS A 95 15.364 3.784 -1.977 1.00 0.00 O ATOM 1556 CB LYS A 95 15.810 6.298 -3.682 1.00 0.00 C ATOM 1557 CG LYS A 95 16.298 7.231 -4.781 1.00 0.00 C ATOM 1558 CD LYS A 95 15.412 8.463 -4.906 1.00 0.00 C ATOM 1559 CE LYS A 95 16.210 9.746 -4.729 1.00 0.00 C ATOM 1560 NZ LYS A 95 15.334 10.951 -4.743 1.00 0.00 N ATOM 0 H LYS A 95 15.668 4.033 -6.047 1.00 0.00 H new ATOM 0 HA LYS A 95 16.748 4.423 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.822 6.622 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.475 6.385 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.322 7.539 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.315 6.697 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.928 8.466 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.620 8.420 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.758 9.706 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.950 9.826 -5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.915 11.804 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.830 11.004 -5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.644 10.887 -3.968 1.00 0.00 H new ATOM 1574 N ILE A 96 13.704 3.633 -3.494 1.00 0.00 N ATOM 1575 CA ILE A 96 12.820 2.870 -2.627 1.00 0.00 C ATOM 1576 C ILE A 96 11.811 2.068 -3.445 1.00 0.00 C ATOM 1577 O ILE A 96 11.190 2.588 -4.372 1.00 0.00 O ATOM 1578 CB ILE A 96 12.050 3.786 -1.662 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.992 4.793 -0.998 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.308 2.961 -0.618 1.00 0.00 C ATOM 1581 CD1 ILE A 96 12.320 5.652 0.046 1.00 0.00 C ATOM 0 H ILE A 96 13.318 3.830 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 96 13.451 2.192 -2.053 1.00 0.00 H new ATOM 0 HB ILE A 96 11.313 4.347 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.819 4.254 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.421 5.437 -1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.769 3.627 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.601 2.297 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 96 12.023 2.368 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.048 6.341 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.511 6.219 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.915 5.017 0.834 1.00 0.00 H new ATOM 1593 N LEU A 97 11.665 0.798 -3.096 1.00 0.00 N ATOM 1594 CA LEU A 97 10.747 -0.106 -3.784 1.00 0.00 C ATOM 1595 C LEU A 97 9.374 0.526 -4.042 1.00 0.00 C ATOM 1596 O LEU A 97 9.043 0.856 -5.182 1.00 0.00 O ATOM 1597 CB LEU A 97 10.595 -1.391 -2.968 1.00 0.00 C ATOM 1598 CG LEU A 97 11.907 -2.137 -2.723 1.00 0.00 C ATOM 1599 CD1 LEU A 97 12.295 -2.094 -1.256 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.833 -3.577 -3.212 1.00 0.00 C ATOM 0 H LEU A 97 12.178 0.363 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 97 11.175 -0.329 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.144 -1.146 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.903 -2.056 -3.484 1.00 0.00 H new ATOM 0 HG LEU A 97 12.680 -1.627 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.232 -2.632 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 97 12.420 -1.057 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.512 -2.561 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.783 -4.075 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.036 -4.100 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.626 -3.588 -4.282 1.00 0.00 H new ATOM 1612 N PHE A 98 8.565 0.665 -2.993 1.00 0.00 N ATOM 1613 CA PHE A 98 7.220 1.226 -3.137 1.00 0.00 C ATOM 1614 C PHE A 98 7.069 2.572 -2.427 1.00 0.00 C ATOM 1615 O PHE A 98 6.102 2.788 -1.695 1.00 0.00 O ATOM 1616 CB PHE A 98 6.190 0.242 -2.584 1.00 0.00 C ATOM 1617 CG PHE A 98 6.449 -0.124 -1.155 1.00 0.00 C ATOM 1618 CD1 PHE A 98 7.342 -1.131 -0.841 1.00 0.00 C ATOM 1619 CD2 PHE A 98 5.814 0.551 -0.127 1.00 0.00 C ATOM 1620 CE1 PHE A 98 7.598 -1.462 0.473 1.00 0.00 C ATOM 1621 CE2 PHE A 98 6.067 0.228 1.192 1.00 0.00 C ATOM 1622 CZ PHE A 98 6.960 -0.781 1.492 1.00 0.00 C ATOM 0 H PHE A 98 8.814 0.399 -2.040 1.00 0.00 H new ATOM 0 HA PHE A 98 7.052 1.395 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.195 0.679 -2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.194 -0.662 -3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.845 -1.665 -1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.113 1.339 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.296 -2.252 0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.568 0.763 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.160 -1.038 2.522 1.00 0.00 H new ATOM 1632 N LYS A 99 8.006 3.482 -2.655 1.00 0.00 N ATOM 1633 CA LYS A 99 7.945 4.797 -2.046 1.00 0.00 C ATOM 1634 C LYS A 99 6.882 5.640 -2.746 1.00 0.00 C ATOM 1635 O LYS A 99 6.079 6.312 -2.099 1.00 0.00 O ATOM 1636 CB LYS A 99 9.325 5.457 -2.134 1.00 0.00 C ATOM 1637 CG LYS A 99 9.311 6.968 -2.269 1.00 0.00 C ATOM 1638 CD LYS A 99 9.550 7.652 -0.933 1.00 0.00 C ATOM 1639 CE LYS A 99 8.715 8.914 -0.796 1.00 0.00 C ATOM 1640 NZ LYS A 99 9.500 10.138 -1.120 1.00 0.00 N ATOM 0 H LYS A 99 8.815 3.331 -3.257 1.00 0.00 H new ATOM 0 HA LYS A 99 7.668 4.711 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.894 5.193 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 99 9.857 5.037 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.078 7.277 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.352 7.289 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.308 6.964 -0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.607 7.901 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.851 8.851 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.332 8.987 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.894 10.977 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.310 10.212 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.844 10.081 -2.100 1.00 0.00 H new ATOM 1654 N ASP A 100 6.887 5.593 -4.075 1.00 0.00 N ATOM 1655 CA ASP A 100 5.927 6.346 -4.871 1.00 0.00 C ATOM 1656 C ASP A 100 4.501 5.937 -4.518 1.00 0.00 C ATOM 1657 O ASP A 100 3.595 6.766 -4.494 1.00 0.00 O ATOM 1658 CB ASP A 100 6.187 6.126 -6.364 1.00 0.00 C ATOM 1659 CG ASP A 100 6.280 7.430 -7.132 1.00 0.00 C ATOM 1660 OD1 ASP A 100 5.228 8.068 -7.350 1.00 0.00 O ATOM 1661 OD2 ASP A 100 7.405 7.814 -7.514 1.00 0.00 O ATOM 0 H ASP A 100 7.547 5.040 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 100 6.048 7.406 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.114 5.566 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.387 5.516 -6.784 1.00 0.00 H new ATOM 1666 N VAL A 101 4.309 4.653 -4.240 1.00 0.00 N ATOM 1667 CA VAL A 101 2.995 4.140 -3.882 1.00 0.00 C ATOM 1668 C VAL A 101 2.572 4.673 -2.530 1.00 0.00 C ATOM 1669 O VAL A 101 1.508 5.270 -2.400 1.00 0.00 O ATOM 1670 CB VAL A 101 2.991 2.610 -3.888 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.614 2.061 -3.547 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.440 2.140 -5.249 1.00 0.00 C ATOM 0 H VAL A 101 5.047 3.949 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 101 2.276 4.482 -4.627 1.00 0.00 H new ATOM 0 HB VAL A 101 3.676 2.239 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.643 0.971 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.321 2.405 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.890 2.413 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.444 1.050 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.756 2.518 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.445 2.511 -5.449 1.00 0.00 H new ATOM 1682 N ASN A 102 3.429 4.508 -1.530 1.00 0.00 N ATOM 1683 CA ASN A 102 3.132 5.042 -0.210 1.00 0.00 C ATOM 1684 C ASN A 102 2.805 6.524 -0.355 1.00 0.00 C ATOM 1685 O ASN A 102 2.071 7.094 0.446 1.00 0.00 O ATOM 1686 CB ASN A 102 4.326 4.859 0.730 1.00 0.00 C ATOM 1687 CG ASN A 102 4.709 3.405 0.919 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.890 3.058 0.909 1.00 0.00 O ATOM 1689 ND2 ASN A 102 3.713 2.545 1.097 1.00 0.00 N ATOM 0 H ASN A 102 4.320 4.017 -1.606 1.00 0.00 H new ATOM 0 HA ASN A 102 2.284 4.507 0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 102 5.181 5.406 0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.089 5.296 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.913 1.554 1.232 1.00 0.00 H new ATOM 0 HD22 ASN A 102 2.748 2.875 1.098 1.00 0.00 H new ATOM 1696 N ARG A 103 3.349 7.131 -1.415 1.00 0.00 N ATOM 1697 CA ARG A 103 3.111 8.532 -1.707 1.00 0.00 C ATOM 1698 C ARG A 103 1.732 8.713 -2.329 1.00 0.00 C ATOM 1699 O ARG A 103 0.957 9.557 -1.881 1.00 0.00 O ATOM 1700 CB ARG A 103 4.181 9.073 -2.651 1.00 0.00 C ATOM 1701 CG ARG A 103 5.395 9.637 -1.933 1.00 0.00 C ATOM 1702 CD ARG A 103 6.337 10.343 -2.896 1.00 0.00 C ATOM 1703 NE ARG A 103 5.831 11.653 -3.301 1.00 0.00 N ATOM 1704 CZ ARG A 103 5.055 11.858 -4.365 1.00 0.00 C ATOM 1705 NH1 ARG A 103 4.683 10.842 -5.134 1.00 0.00 N ATOM 1706 NH2 ARG A 103 4.648 13.085 -4.659 1.00 0.00 N ATOM 0 H ARG A 103 3.960 6.662 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 103 3.156 9.090 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.503 8.274 -3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.743 9.852 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.070 10.336 -1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.927 8.831 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.313 10.462 -2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 103 6.483 9.722 -3.780 1.00 0.00 H new ATOM 0 HE ARG A 103 6.088 12.461 -2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.991 9.895 -4.913 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.089 11.008 -5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.929 13.870 -4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.054 13.244 -5.473 1.00 0.00 H new ATOM 1720 N LYS A 104 1.402 7.902 -3.344 1.00 0.00 N ATOM 1721 CA LYS A 104 0.082 8.006 -3.957 1.00 0.00 C ATOM 1722 C LYS A 104 -0.931 7.361 -3.037 1.00 0.00 C ATOM 1723 O LYS A 104 -1.834 8.015 -2.518 1.00 0.00 O ATOM 1724 CB LYS A 104 0.022 7.307 -5.317 1.00 0.00 C ATOM 1725 CG LYS A 104 1.226 7.542 -6.207 1.00 0.00 C ATOM 1726 CD LYS A 104 1.480 6.334 -7.096 1.00 0.00 C ATOM 1727 CE LYS A 104 2.939 5.911 -7.065 1.00 0.00 C ATOM 1728 NZ LYS A 104 3.422 5.481 -8.406 1.00 0.00 N ATOM 0 H LYS A 104 2.013 7.190 -3.744 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.135 9.063 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.088 6.235 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.872 7.643 -5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.062 8.426 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.105 7.740 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.853 5.504 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.191 6.569 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.550 6.740 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.065 5.094 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.093 4.693 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.614 5.171 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.897 6.278 -8.876 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.739 6.063 -2.834 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.588 5.255 -1.976 1.00 0.00 C ATOM 1744 C LEU A 105 -1.963 5.997 -0.689 1.00 0.00 C ATOM 1745 O LEU A 105 -3.070 5.835 -0.172 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.860 3.946 -1.655 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.690 2.895 -0.926 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.012 1.535 -0.985 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.913 3.324 0.509 1.00 0.00 C ATOM 0 H LEU A 105 0.021 5.538 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.520 5.042 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.497 3.514 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.016 4.177 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.657 2.805 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.622 0.801 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.896 1.231 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.031 1.597 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.507 2.570 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.951 3.434 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.442 4.277 0.526 1.00 0.00 H new ATOM 1761 N SER A 106 -1.047 6.820 -0.179 1.00 0.00 N ATOM 1762 CA SER A 106 -1.312 7.579 1.044 1.00 0.00 C ATOM 1763 C SER A 106 -2.348 8.666 0.791 1.00 0.00 C ATOM 1764 O SER A 106 -3.421 8.672 1.396 1.00 0.00 O ATOM 1765 CB SER A 106 -0.028 8.214 1.578 1.00 0.00 C ATOM 1766 OG SER A 106 -0.315 9.223 2.532 1.00 0.00 O ATOM 0 H SER A 106 -0.126 6.978 -0.587 1.00 0.00 H new ATOM 0 HA SER A 106 -1.700 6.883 1.788 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.599 7.447 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.541 8.641 0.752 1.00 0.00 H new ATOM 0 HG SER A 106 0.514 9.500 2.975 1.00 0.00 H new ATOM 1772 N ASP A 107 -2.014 9.587 -0.104 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.905 10.690 -0.446 1.00 0.00 C ATOM 1774 C ASP A 107 -4.303 10.190 -0.789 1.00 0.00 C ATOM 1775 O ASP A 107 -5.289 10.906 -0.619 1.00 0.00 O ATOM 1776 CB ASP A 107 -2.339 11.464 -1.633 1.00 0.00 C ATOM 1777 CG ASP A 107 -2.496 12.964 -1.477 1.00 0.00 C ATOM 1778 OD1 ASP A 107 -2.542 13.440 -0.323 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -2.574 13.662 -2.510 1.00 0.00 O ATOM 0 H ASP A 107 -1.128 9.592 -0.609 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.978 11.343 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.282 11.223 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.842 11.142 -2.545 1.00 0.00 H new ATOM 1784 N VAL A 108 -4.378 8.960 -1.277 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.650 8.365 -1.647 1.00 0.00 C ATOM 1786 C VAL A 108 -6.516 8.157 -0.423 1.00 0.00 C ATOM 1787 O VAL A 108 -7.688 8.525 -0.416 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.464 7.014 -2.354 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.671 6.676 -3.201 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -4.211 7.016 -3.205 1.00 0.00 C ATOM 0 H VAL A 108 -3.570 8.355 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.135 9.058 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.357 6.249 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.514 5.715 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.556 6.620 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.814 7.449 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.102 6.048 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.285 7.799 -3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.342 7.203 -2.573 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.935 7.574 0.619 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.690 7.345 1.845 1.00 0.00 C ATOM 1802 C TRP A 109 -7.100 8.677 2.454 1.00 0.00 C ATOM 1803 O TRP A 109 -8.184 8.808 3.018 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.905 6.526 2.875 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.685 6.326 4.140 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.280 6.593 5.415 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.028 5.844 4.239 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.293 6.304 6.303 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.377 5.842 5.602 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.968 5.413 3.303 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.635 5.427 6.047 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.209 5.003 3.742 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.534 5.015 5.102 1.00 0.00 C ATOM 0 H TRP A 109 -4.966 7.257 0.642 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.573 6.766 1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.649 5.556 2.449 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.967 7.032 3.103 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.308 6.975 5.688 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.244 6.415 7.316 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.727 5.401 2.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -9.888 5.431 7.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.942 4.667 3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.516 4.692 5.413 1.00 0.00 H new ATOM 1824 N LYS A 110 -6.229 9.670 2.321 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.510 10.997 2.844 1.00 0.00 C ATOM 1826 C LYS A 110 -7.749 11.568 2.166 1.00 0.00 C ATOM 1827 O LYS A 110 -8.544 12.266 2.787 1.00 0.00 O ATOM 1828 CB LYS A 110 -5.314 11.923 2.616 1.00 0.00 C ATOM 1829 CG LYS A 110 -4.021 11.411 3.231 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.959 12.498 3.275 1.00 0.00 C ATOM 1831 CE LYS A 110 -1.714 12.034 4.015 1.00 0.00 C ATOM 1832 NZ LYS A 110 -0.582 11.766 3.084 1.00 0.00 N ATOM 0 H LYS A 110 -5.325 9.580 1.857 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.692 10.921 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.168 12.057 1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.541 12.905 3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.215 11.049 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.652 10.563 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.692 12.788 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.364 13.384 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.417 12.794 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.943 11.129 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.317 11.836 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.679 10.810 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.593 12.465 2.314 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.901 11.255 0.885 1.00 0.00 N ATOM 1847 CA GLU A 111 -9.037 11.724 0.105 1.00 0.00 C ATOM 1848 C GLU A 111 -10.193 10.731 0.160 1.00 0.00 C ATOM 1849 O GLU A 111 -11.354 11.099 -0.014 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.611 11.939 -1.343 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.757 13.380 -1.801 1.00 0.00 C ATOM 1852 CD GLU A 111 -8.679 13.527 -3.308 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -7.696 13.037 -3.902 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -9.601 14.133 -3.893 1.00 0.00 O ATOM 0 H GLU A 111 -7.246 10.674 0.362 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.379 12.666 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.572 11.631 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.208 11.296 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.711 13.773 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.975 13.984 -1.340 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.864 9.471 0.394 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.866 8.420 0.467 1.00 0.00 C ATOM 1863 C LEU A 112 -11.544 8.426 1.830 1.00 0.00 C ATOM 1864 O LEU A 112 -12.768 8.337 1.930 1.00 0.00 O ATOM 1865 CB LEU A 112 -10.217 7.060 0.191 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.174 5.865 0.157 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.397 6.163 -0.687 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.467 4.647 -0.392 1.00 0.00 C ATOM 0 H LEU A 112 -8.906 9.150 0.537 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.627 8.604 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.697 7.113 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.462 6.876 0.955 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.499 5.670 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -13.057 5.295 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.927 7.020 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.088 6.389 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.157 3.804 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.118 4.854 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.615 4.404 0.243 1.00 0.00 H new ATOM 1880 N SER A 113 -10.737 8.544 2.878 1.00 0.00 N ATOM 1881 CA SER A 113 -11.250 8.578 4.239 1.00 0.00 C ATOM 1882 C SER A 113 -12.001 9.880 4.502 1.00 0.00 C ATOM 1883 O SER A 113 -13.104 9.870 5.047 1.00 0.00 O ATOM 1884 CB SER A 113 -10.103 8.420 5.242 1.00 0.00 C ATOM 1885 OG SER A 113 -9.680 9.676 5.748 1.00 0.00 O ATOM 0 H SER A 113 -9.722 8.618 2.809 1.00 0.00 H new ATOM 0 HA SER A 113 -11.946 7.748 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.424 7.783 6.067 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.263 7.919 4.761 1.00 0.00 H new ATOM 0 HG SER A 113 -8.949 9.542 6.386 1.00 0.00 H new ATOM 1891 N LEU A 114 -11.397 11.004 4.114 1.00 0.00 N ATOM 1892 CA LEU A 114 -12.023 12.305 4.319 1.00 0.00 C ATOM 1893 C LEU A 114 -13.349 12.384 3.564 1.00 0.00 C ATOM 1894 O LEU A 114 -14.284 13.047 4.010 1.00 0.00 O ATOM 1895 CB LEU A 114 -11.043 13.435 3.933 1.00 0.00 C ATOM 1896 CG LEU A 114 -11.382 14.287 2.702 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -11.530 13.421 1.467 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -12.638 15.112 2.934 1.00 0.00 C ATOM 0 H LEU A 114 -10.484 11.038 3.661 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.257 12.435 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.950 14.104 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.063 12.987 3.771 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.553 14.976 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.770 14.049 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.596 12.892 1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.331 12.698 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.853 15.705 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.477 14.447 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -12.485 15.776 3.785 1.00 0.00 H new ATOM 1910 N LEU A 115 -13.438 11.680 2.436 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.667 11.654 1.651 1.00 0.00 C ATOM 1912 C LEU A 115 -15.694 10.762 2.332 1.00 0.00 C ATOM 1913 O LEU A 115 -16.879 11.090 2.393 1.00 0.00 O ATOM 1914 CB LEU A 115 -14.394 11.137 0.236 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.838 12.173 -0.737 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -13.499 11.530 -2.076 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -14.829 13.313 -0.922 1.00 0.00 C ATOM 0 H LEU A 115 -12.676 11.123 2.048 1.00 0.00 H new ATOM 0 HA LEU A 115 -15.055 12.670 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.691 10.307 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -15.322 10.738 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.919 12.581 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.104 12.287 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.751 10.751 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -14.399 11.091 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -14.418 14.043 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -15.765 12.920 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -15.015 13.793 0.039 1.00 0.00 H new ATOM 1929 N LEU A 116 -15.223 9.632 2.847 1.00 0.00 N ATOM 1930 CA LEU A 116 -16.087 8.685 3.533 1.00 0.00 C ATOM 1931 C LEU A 116 -16.746 9.336 4.739 1.00 0.00 C ATOM 1932 O LEU A 116 -17.932 9.133 4.996 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.284 7.458 3.962 1.00 0.00 C ATOM 1934 CG LEU A 116 -15.186 6.365 2.901 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.159 5.317 3.300 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.547 5.730 2.681 1.00 0.00 C ATOM 0 H LEU A 116 -14.244 9.351 2.801 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.871 8.369 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.277 7.775 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.738 7.037 4.859 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.857 6.816 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.106 4.548 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.182 5.788 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.452 4.863 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.467 4.951 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.899 5.292 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.254 6.490 2.348 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.974 10.135 5.469 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.491 10.834 6.637 1.00 0.00 C ATOM 1950 C GLN A 117 -17.697 11.687 6.249 1.00 0.00 C ATOM 1951 O GLN A 117 -18.535 12.012 7.088 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.406 11.719 7.252 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.524 10.997 8.254 1.00 0.00 C ATOM 1954 CD GLN A 117 -13.077 11.439 8.178 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.671 12.394 8.839 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.290 10.743 7.366 1.00 0.00 N ATOM 0 H GLN A 117 -14.989 10.313 5.271 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.801 10.093 7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.781 12.120 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.879 12.569 7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.902 11.175 9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.582 9.923 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.670 9.958 6.837 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.306 10.993 7.272 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.768 12.052 4.970 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.863 12.871 4.465 1.00 0.00 C ATOM 1967 C VAL A 118 -20.017 12.017 3.953 1.00 0.00 C ATOM 1968 O VAL A 118 -21.152 12.141 4.413 1.00 0.00 O ATOM 1969 CB VAL A 118 -18.395 13.775 3.312 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -19.414 14.868 3.044 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -17.026 14.363 3.609 1.00 0.00 C ATOM 0 H VAL A 118 -17.078 11.792 4.265 1.00 0.00 H new ATOM 0 HA VAL A 118 -19.202 13.478 5.305 1.00 0.00 H new ATOM 0 HB VAL A 118 -18.308 13.167 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -19.066 15.497 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -20.369 14.417 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -19.540 15.475 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -16.715 14.999 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -17.075 14.956 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -16.304 13.557 3.738 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.718 11.170 2.975 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.727 10.309 2.364 1.00 0.00 C ATOM 1983 C GLU A 119 -21.200 9.208 3.311 1.00 0.00 C ATOM 1984 O GLU A 119 -22.402 8.979 3.451 1.00 0.00 O ATOM 1985 CB GLU A 119 -20.175 9.684 1.081 1.00 0.00 C ATOM 1986 CG GLU A 119 -19.476 10.681 0.170 1.00 0.00 C ATOM 1987 CD GLU A 119 -20.350 11.871 -0.171 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -20.352 12.848 0.607 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -21.033 11.826 -1.216 1.00 0.00 O ATOM 0 H GLU A 119 -18.782 11.060 2.586 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.588 10.936 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -19.474 8.892 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.993 9.216 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.564 11.031 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -19.177 10.179 -0.750 1.00 0.00 H new ATOM 1996 N GLN A 120 -20.260 8.519 3.944 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.602 7.434 4.859 1.00 0.00 C ATOM 1998 C GLN A 120 -20.783 7.933 6.289 1.00 0.00 C ATOM 1999 O GLN A 120 -21.339 7.229 7.132 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.525 6.350 4.820 1.00 0.00 C ATOM 2001 CG GLN A 120 -20.022 5.028 4.264 1.00 0.00 C ATOM 2002 CD GLN A 120 -19.750 4.886 2.781 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -20.404 5.520 1.952 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -18.777 4.053 2.439 1.00 0.00 N ATOM 0 H GLN A 120 -19.259 8.689 3.843 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.553 7.015 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.689 6.700 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -19.143 6.191 5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -19.542 4.209 4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -21.094 4.941 4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -18.261 3.548 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -18.544 3.917 1.455 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.308 9.142 6.563 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.421 9.716 7.898 1.00 0.00 C ATOM 2015 C ARG A 121 -19.664 8.873 8.922 1.00 0.00 C ATOM 2016 O ARG A 121 -19.891 8.998 10.124 1.00 0.00 O ATOM 2017 CB ARG A 121 -21.891 9.834 8.307 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.664 10.870 7.507 1.00 0.00 C ATOM 2019 CD ARG A 121 -23.600 11.676 8.394 1.00 0.00 C ATOM 2020 NE ARG A 121 -23.673 13.075 7.983 1.00 0.00 N ATOM 2021 CZ ARG A 121 -24.211 13.484 6.836 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -24.725 12.604 5.985 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -24.236 14.776 6.539 1.00 0.00 N ATOM 0 H ARG A 121 -19.843 9.742 5.882 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.977 10.711 7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.372 8.863 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.946 10.089 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.965 11.542 7.009 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.240 10.373 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.597 11.236 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.259 11.619 9.428 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.289 13.781 8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.709 11.609 6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.136 12.923 5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.843 15.456 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.648 15.089 5.660 1.00 0.00 H new ATOM 2037 N MET A 122 -18.761 8.017 8.444 1.00 0.00 N ATOM 2038 CA MET A 122 -17.982 7.168 9.338 1.00 0.00 C ATOM 2039 C MET A 122 -16.828 7.951 9.958 1.00 0.00 C ATOM 2040 O MET A 122 -16.180 8.754 9.287 1.00 0.00 O ATOM 2041 CB MET A 122 -17.453 5.938 8.588 1.00 0.00 C ATOM 2042 CG MET A 122 -16.296 6.228 7.637 1.00 0.00 C ATOM 2043 SD MET A 122 -14.863 5.173 7.944 1.00 0.00 S ATOM 2044 CE MET A 122 -13.794 5.627 6.577 1.00 0.00 C ATOM 0 H MET A 122 -18.554 7.895 7.453 1.00 0.00 H new ATOM 0 HA MET A 122 -18.636 6.829 10.141 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.130 5.194 9.317 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.271 5.494 8.021 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.632 6.089 6.609 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.001 7.273 7.737 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.761 5.669 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 122 -13.882 4.885 5.784 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.088 6.604 6.194 1.00 0.00 H new ATOM 2054 N PRO A 123 -16.554 7.735 11.255 1.00 0.00 N ATOM 2055 CA PRO A 123 -15.474 8.431 11.949 1.00 0.00 C ATOM 2056 C PRO A 123 -14.113 7.832 11.628 1.00 0.00 C ATOM 2057 O PRO A 123 -13.904 6.627 11.771 1.00 0.00 O ATOM 2058 CB PRO A 123 -15.820 8.227 13.421 1.00 0.00 C ATOM 2059 CG PRO A 123 -16.537 6.920 13.457 1.00 0.00 C ATOM 2060 CD PRO A 123 -17.272 6.802 12.146 1.00 0.00 C ATOM 0 HA PRO A 123 -15.399 9.479 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -14.923 8.205 14.040 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.448 9.035 13.797 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -15.836 6.096 13.585 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.231 6.881 14.296 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.245 5.782 11.763 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.322 7.076 12.250 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.196 8.678 11.180 1.00 0.00 N ATOM 2069 CA VAL A 124 -11.860 8.227 10.823 1.00 0.00 C ATOM 2070 C VAL A 124 -10.784 9.093 11.461 1.00 0.00 C ATOM 2071 O VAL A 124 -11.035 10.234 11.850 1.00 0.00 O ATOM 2072 CB VAL A 124 -11.663 8.240 9.299 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.379 7.520 8.919 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -12.861 7.616 8.606 1.00 0.00 C ATOM 0 H VAL A 124 -13.353 9.678 11.056 1.00 0.00 H new ATOM 0 HA VAL A 124 -11.765 7.208 11.198 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.579 9.275 8.968 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.257 7.540 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.530 8.017 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -10.427 6.486 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.707 7.633 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.978 6.585 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -13.759 8.182 8.853 1.00 0.00 H new ATOM 2084 N SER A 125 -9.581 8.541 11.553 1.00 0.00 N ATOM 2085 CA SER A 125 -8.453 9.255 12.132 1.00 0.00 C ATOM 2086 C SER A 125 -7.399 9.533 11.062 1.00 0.00 C ATOM 2087 O SER A 125 -7.474 8.989 9.961 1.00 0.00 O ATOM 2088 CB SER A 125 -7.843 8.436 13.271 1.00 0.00 C ATOM 2089 OG SER A 125 -8.689 7.357 13.636 1.00 0.00 O ATOM 0 H SER A 125 -9.362 7.598 11.233 1.00 0.00 H new ATOM 0 HA SER A 125 -8.806 10.206 12.531 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.870 8.052 12.966 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.675 9.079 14.135 1.00 0.00 H new ATOM 0 HG SER A 125 -8.275 6.849 14.365 1.00 0.00 H new ATOM 2095 N PRO A 126 -6.398 10.380 11.368 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.329 10.710 10.416 1.00 0.00 C ATOM 2097 C PRO A 126 -4.528 9.474 10.022 1.00 0.00 C ATOM 2098 O PRO A 126 -3.388 9.294 10.449 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.449 11.705 11.182 1.00 0.00 C ATOM 2100 CG PRO A 126 -4.780 11.493 12.619 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.223 11.074 12.654 1.00 0.00 C ATOM 0 HA PRO A 126 -5.719 11.116 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -3.391 11.524 10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.657 12.731 10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.141 10.727 13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -4.625 12.406 13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.432 10.417 13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -6.890 11.931 12.744 1.00 0.00 H new ATOM 2109 N ILE A 127 -5.146 8.615 9.218 1.00 0.00 N ATOM 2110 CA ILE A 127 -4.515 7.378 8.772 1.00 0.00 C ATOM 2111 C ILE A 127 -3.984 6.579 9.957 1.00 0.00 C ATOM 2112 O ILE A 127 -2.778 6.369 10.085 1.00 0.00 O ATOM 2113 CB ILE A 127 -3.358 7.629 7.782 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.665 8.823 6.875 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.096 6.375 6.953 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.587 9.090 5.845 1.00 0.00 C ATOM 0 H ILE A 127 -6.091 8.755 8.860 1.00 0.00 H new ATOM 0 HA ILE A 127 -5.291 6.811 8.257 1.00 0.00 H new ATOM 0 HB ILE A 127 -2.460 7.865 8.352 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.611 8.647 6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -3.797 9.713 7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.278 6.563 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -2.828 5.551 7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -3.995 6.114 6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.870 9.949 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.644 9.298 6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.470 8.215 5.205 1.00 0.00 H new ATOM 2128 N SER A 128 -4.892 6.127 10.820 1.00 0.00 N ATOM 2129 CA SER A 128 -4.509 5.338 11.989 1.00 0.00 C ATOM 2130 C SER A 128 -3.544 4.226 11.585 1.00 0.00 C ATOM 2131 O SER A 128 -2.707 3.790 12.376 1.00 0.00 O ATOM 2132 CB SER A 128 -5.749 4.740 12.657 1.00 0.00 C ATOM 2133 OG SER A 128 -5.642 4.787 14.069 1.00 0.00 O ATOM 0 H SER A 128 -5.895 6.293 10.732 1.00 0.00 H new ATOM 0 HA SER A 128 -4.010 5.995 12.701 1.00 0.00 H new ATOM 0 HB2 SER A 128 -6.637 5.287 12.338 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.877 3.707 12.333 1.00 0.00 H new ATOM 0 HG SER A 128 -6.448 4.400 14.471 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.668 3.787 10.337 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.814 2.742 9.792 1.00 0.00 C ATOM 2141 C GLN A 129 -1.339 3.108 9.943 1.00 0.00 C ATOM 2142 O GLN A 129 -0.471 2.235 9.964 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.137 2.525 8.311 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.608 2.249 8.034 1.00 0.00 C ATOM 2145 CD GLN A 129 -5.409 3.513 7.777 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -4.919 4.621 7.987 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -6.652 3.354 7.333 1.00 0.00 N ATOM 0 H GLN A 129 -4.360 4.145 9.679 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.003 1.824 10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.831 3.408 7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -2.544 1.689 7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.692 1.590 7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -5.039 1.718 8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -7.020 2.416 7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.238 4.170 7.154 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.063 4.406 10.036 1.00 0.00 N ATOM 2157 CA GLY A 130 0.305 4.871 10.168 1.00 0.00 C ATOM 2158 C GLY A 130 0.892 5.265 8.829 1.00 0.00 C ATOM 2159 O GLY A 130 1.570 4.469 8.187 1.00 0.00 O ATOM 0 H GLY A 130 -1.766 5.145 10.022 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.336 5.725 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.915 4.087 10.616 1.00 0.00 H new ATOM 2163 N ALA A 131 0.614 6.493 8.399 1.00 0.00 N ATOM 2164 CA ALA A 131 1.096 6.995 7.114 1.00 0.00 C ATOM 2165 C ALA A 131 2.605 7.248 7.094 1.00 0.00 C ATOM 2166 O ALA A 131 3.098 8.000 6.254 1.00 0.00 O ATOM 2167 CB ALA A 131 0.348 8.265 6.741 1.00 0.00 C ATOM 0 H ALA A 131 0.054 7.163 8.925 1.00 0.00 H new ATOM 0 HA ALA A 131 0.901 6.215 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.712 8.634 5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.718 8.051 6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.513 9.023 7.507 1.00 0.00 H new ATOM 2173 N SER A 132 3.340 6.621 8.007 1.00 0.00 N ATOM 2174 CA SER A 132 4.788 6.791 8.061 1.00 0.00 C ATOM 2175 C SER A 132 5.497 5.801 7.136 1.00 0.00 C ATOM 2176 O SER A 132 6.715 5.637 7.209 1.00 0.00 O ATOM 2177 CB SER A 132 5.288 6.607 9.492 1.00 0.00 C ATOM 2178 OG SER A 132 4.882 7.684 10.319 1.00 0.00 O ATOM 0 H SER A 132 2.960 5.994 8.716 1.00 0.00 H new ATOM 0 HA SER A 132 5.018 7.802 7.724 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.905 5.670 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.376 6.534 9.493 1.00 0.00 H new ATOM 0 HG SER A 132 5.214 7.540 11.230 1.00 0.00 H new ATOM 2184 N TRP A 133 4.730 5.138 6.269 1.00 0.00 N ATOM 2185 CA TRP A 133 5.293 4.160 5.335 1.00 0.00 C ATOM 2186 C TRP A 133 6.530 4.712 4.632 1.00 0.00 C ATOM 2187 O TRP A 133 7.555 4.038 4.540 1.00 0.00 O ATOM 2188 CB TRP A 133 4.261 3.749 4.275 1.00 0.00 C ATOM 2189 CG TRP A 133 2.846 3.704 4.766 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.404 3.221 5.962 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.683 4.156 4.062 1.00 0.00 C ATOM 2192 NE1 TRP A 133 1.037 3.348 6.046 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.573 3.919 4.891 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.474 4.740 2.811 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.726 4.246 4.511 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.186 5.063 2.433 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.900 4.815 3.281 1.00 0.00 C ATOM 0 H TRP A 133 3.720 5.259 6.194 1.00 0.00 H new ATOM 0 HA TRP A 133 5.575 3.287 5.924 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.320 4.447 3.440 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.529 2.766 3.888 1.00 0.00 H new ATOM 0 HD1 TRP A 133 3.035 2.800 6.731 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.463 3.063 6.839 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.306 4.936 2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.565 4.057 5.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.013 5.514 1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.896 5.079 2.956 1.00 0.00 H new ATOM 2208 N ALA A 134 6.419 5.936 4.126 1.00 0.00 N ATOM 2209 CA ALA A 134 7.520 6.577 3.416 1.00 0.00 C ATOM 2210 C ALA A 134 8.760 6.698 4.296 1.00 0.00 C ATOM 2211 O ALA A 134 9.868 6.373 3.870 1.00 0.00 O ATOM 2212 CB ALA A 134 7.091 7.947 2.915 1.00 0.00 C ATOM 0 H ALA A 134 5.575 6.505 4.195 1.00 0.00 H new ATOM 0 HA ALA A 134 7.780 5.949 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 134 7.920 8.417 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.244 7.838 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.801 8.569 3.761 1.00 0.00 H new ATOM 2218 N GLN A 135 8.568 7.172 5.521 1.00 0.00 N ATOM 2219 CA GLN A 135 9.674 7.340 6.457 1.00 0.00 C ATOM 2220 C GLN A 135 10.422 6.027 6.668 1.00 0.00 C ATOM 2221 O GLN A 135 11.653 5.990 6.645 1.00 0.00 O ATOM 2222 CB GLN A 135 9.158 7.865 7.798 1.00 0.00 C ATOM 2223 CG GLN A 135 8.596 9.277 7.724 1.00 0.00 C ATOM 2224 CD GLN A 135 9.557 10.315 8.268 1.00 0.00 C ATOM 2225 OE1 GLN A 135 9.465 10.716 9.428 1.00 0.00 O ATOM 2226 NE2 GLN A 135 10.486 10.759 7.429 1.00 0.00 N ATOM 0 H GLN A 135 7.658 7.447 5.890 1.00 0.00 H new ATOM 0 HA GLN A 135 10.367 8.064 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.383 7.193 8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.971 7.844 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.358 9.516 6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.662 9.322 8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 135 10.526 10.399 6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 135 11.159 11.460 7.738 1.00 0.00 H new ATOM 2235 N GLU A 136 9.671 4.951 6.875 1.00 0.00 N ATOM 2236 CA GLU A 136 10.261 3.636 7.094 1.00 0.00 C ATOM 2237 C GLU A 136 10.707 3.004 5.779 1.00 0.00 C ATOM 2238 O GLU A 136 11.666 2.234 5.745 1.00 0.00 O ATOM 2239 CB GLU A 136 9.257 2.718 7.790 1.00 0.00 C ATOM 2240 CG GLU A 136 8.630 3.332 9.032 1.00 0.00 C ATOM 2241 CD GLU A 136 8.807 2.466 10.264 1.00 0.00 C ATOM 2242 OE1 GLU A 136 9.967 2.212 10.650 1.00 0.00 O ATOM 2243 OE2 GLU A 136 7.784 2.042 10.844 1.00 0.00 O ATOM 0 H GLU A 136 8.651 4.964 6.896 1.00 0.00 H new ATOM 0 HA GLU A 136 11.138 3.765 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.467 2.457 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.757 1.790 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 136 9.075 4.310 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 136 7.567 3.493 8.856 1.00 0.00 H new ATOM 2250 N ASP A 137 10.003 3.331 4.701 1.00 0.00 N ATOM 2251 CA ASP A 137 10.325 2.791 3.388 1.00 0.00 C ATOM 2252 C ASP A 137 11.741 3.168 2.977 1.00 0.00 C ATOM 2253 O ASP A 137 12.502 2.325 2.503 1.00 0.00 O ATOM 2254 CB ASP A 137 9.328 3.302 2.346 1.00 0.00 C ATOM 2255 CG ASP A 137 8.283 2.264 1.988 1.00 0.00 C ATOM 2256 OD1 ASP A 137 7.595 1.772 2.907 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.154 1.944 0.788 1.00 0.00 O ATOM 0 H ASP A 137 9.206 3.967 4.712 1.00 0.00 H new ATOM 0 HA ASP A 137 10.259 1.704 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.833 4.195 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.867 3.597 1.445 1.00 0.00 H new ATOM 2262 N GLN A 138 12.089 4.437 3.159 1.00 0.00 N ATOM 2263 CA GLN A 138 13.416 4.916 2.800 1.00 0.00 C ATOM 2264 C GLN A 138 14.462 4.393 3.778 1.00 0.00 C ATOM 2265 O GLN A 138 15.592 4.095 3.392 1.00 0.00 O ATOM 2266 CB GLN A 138 13.440 6.446 2.732 1.00 0.00 C ATOM 2267 CG GLN A 138 13.574 7.132 4.082 1.00 0.00 C ATOM 2268 CD GLN A 138 14.916 7.818 4.262 1.00 0.00 C ATOM 2269 OE1 GLN A 138 15.003 8.878 4.883 1.00 0.00 O ATOM 2270 NE2 GLN A 138 15.972 7.220 3.721 1.00 0.00 N ATOM 0 H GLN A 138 11.473 5.149 3.551 1.00 0.00 H new ATOM 0 HA GLN A 138 13.662 4.532 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.269 6.756 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.524 6.791 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.777 7.868 4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 138 13.438 6.395 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 138 15.857 6.342 3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 138 16.898 7.639 3.813 1.00 0.00 H new ATOM 2279 N GLN A 139 14.075 4.267 5.045 1.00 0.00 N ATOM 2280 CA GLN A 139 14.981 3.759 6.063 1.00 0.00 C ATOM 2281 C GLN A 139 15.375 2.330 5.718 1.00 0.00 C ATOM 2282 O GLN A 139 16.527 1.927 5.888 1.00 0.00 O ATOM 2283 CB GLN A 139 14.322 3.806 7.442 1.00 0.00 C ATOM 2284 CG GLN A 139 14.486 5.142 8.149 1.00 0.00 C ATOM 2285 CD GLN A 139 14.828 4.987 9.617 1.00 0.00 C ATOM 2286 OE1 GLN A 139 13.958 4.715 10.444 1.00 0.00 O ATOM 2287 NE2 GLN A 139 16.102 5.161 9.950 1.00 0.00 N ATOM 0 H GLN A 139 13.145 4.509 5.387 1.00 0.00 H new ATOM 0 HA GLN A 139 15.872 4.386 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.259 3.589 7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.747 3.020 8.066 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.271 5.716 7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 139 13.564 5.715 8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 139 16.791 5.386 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 139 16.392 5.070 10.924 1.00 0.00 H new ATOM 2296 N ASP A 140 14.405 1.580 5.210 1.00 0.00 N ATOM 2297 CA ASP A 140 14.634 0.199 4.811 1.00 0.00 C ATOM 2298 C ASP A 140 15.226 0.143 3.406 1.00 0.00 C ATOM 2299 O ASP A 140 15.838 -0.847 3.023 1.00 0.00 O ATOM 2300 CB ASP A 140 13.326 -0.589 4.859 1.00 0.00 C ATOM 2301 CG ASP A 140 12.890 -0.901 6.278 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.700 -1.480 7.033 1.00 0.00 O ATOM 2303 OD2 ASP A 140 11.741 -0.566 6.633 1.00 0.00 O ATOM 0 H ASP A 140 13.450 1.907 5.065 1.00 0.00 H new ATOM 0 HA ASP A 140 15.342 -0.250 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.543 -0.019 4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.446 -1.520 4.306 1.00 0.00 H new ATOM 2308 N ALA A 141 15.046 1.221 2.649 1.00 0.00 N ATOM 2309 CA ALA A 141 15.567 1.307 1.292 1.00 0.00 C ATOM 2310 C ALA A 141 17.076 1.479 1.323 1.00 0.00 C ATOM 2311 O ALA A 141 17.819 0.638 0.820 1.00 0.00 O ATOM 2312 CB ALA A 141 14.915 2.464 0.542 1.00 0.00 C ATOM 0 H ALA A 141 14.540 2.051 2.956 1.00 0.00 H new ATOM 0 HA ALA A 141 15.330 0.381 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 141 15.316 2.513 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.837 2.308 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 141 15.125 3.399 1.062 1.00 0.00 H new ATOM 2318 N ASP A 142 17.523 2.568 1.939 1.00 0.00 N ATOM 2319 CA ASP A 142 18.946 2.841 2.059 1.00 0.00 C ATOM 2320 C ASP A 142 19.627 1.710 2.818 1.00 0.00 C ATOM 2321 O ASP A 142 20.792 1.395 2.578 1.00 0.00 O ATOM 2322 CB ASP A 142 19.178 4.172 2.777 1.00 0.00 C ATOM 2323 CG ASP A 142 18.611 4.176 4.184 1.00 0.00 C ATOM 2324 OD1 ASP A 142 19.074 3.365 5.013 1.00 0.00 O ATOM 2325 OD2 ASP A 142 17.704 4.991 4.455 1.00 0.00 O ATOM 0 H ASP A 142 16.920 3.274 2.362 1.00 0.00 H new ATOM 0 HA ASP A 142 19.375 2.909 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 142 20.248 4.378 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.721 4.977 2.201 1.00 0.00 H new ATOM 2330 N GLU A 143 18.880 1.095 3.734 1.00 0.00 N ATOM 2331 CA GLU A 143 19.399 -0.010 4.525 1.00 0.00 C ATOM 2332 C GLU A 143 19.360 -1.309 3.728 1.00 0.00 C ATOM 2333 O GLU A 143 20.269 -2.133 3.828 1.00 0.00 O ATOM 2334 CB GLU A 143 18.594 -0.167 5.817 1.00 0.00 C ATOM 2335 CG GLU A 143 18.994 0.815 6.906 1.00 0.00 C ATOM 2336 CD GLU A 143 18.438 0.437 8.266 1.00 0.00 C ATOM 2337 OE1 GLU A 143 19.081 -0.374 8.965 1.00 0.00 O ATOM 2338 OE2 GLU A 143 17.361 0.952 8.630 1.00 0.00 O ATOM 0 H GLU A 143 17.914 1.346 3.944 1.00 0.00 H new ATOM 0 HA GLU A 143 20.435 0.213 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.535 -0.037 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 143 18.719 -1.183 6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 143 20.081 0.865 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.643 1.812 6.638 1.00 0.00 H new ATOM 2345 N ASP A 144 18.304 -1.493 2.934 1.00 0.00 N ATOM 2346 CA ASP A 144 18.174 -2.706 2.128 1.00 0.00 C ATOM 2347 C ASP A 144 19.294 -2.800 1.096 1.00 0.00 C ATOM 2348 O ASP A 144 20.039 -3.781 1.065 1.00 0.00 O ATOM 2349 CB ASP A 144 16.812 -2.755 1.428 1.00 0.00 C ATOM 2350 CG ASP A 144 16.640 -3.998 0.576 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.997 -3.953 -0.620 1.00 0.00 O ATOM 2352 OD2 ASP A 144 16.149 -5.018 1.105 1.00 0.00 O ATOM 0 H ASP A 144 17.537 -0.828 2.833 1.00 0.00 H new ATOM 0 HA ASP A 144 18.251 -3.559 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.021 -2.720 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 144 16.697 -1.870 0.801 1.00 0.00 H new ATOM 2357 N ARG A 145 19.410 -1.781 0.250 1.00 0.00 N ATOM 2358 CA ARG A 145 20.442 -1.761 -0.782 1.00 0.00 C ATOM 2359 C ARG A 145 21.832 -1.873 -0.161 1.00 0.00 C ATOM 2360 O ARG A 145 22.721 -2.520 -0.712 1.00 0.00 O ATOM 2361 CB ARG A 145 20.341 -0.487 -1.625 1.00 0.00 C ATOM 2362 CG ARG A 145 20.226 0.788 -0.804 1.00 0.00 C ATOM 2363 CD ARG A 145 21.122 1.887 -1.352 1.00 0.00 C ATOM 2364 NE ARG A 145 21.394 2.919 -0.354 1.00 0.00 N ATOM 2365 CZ ARG A 145 21.790 4.154 -0.652 1.00 0.00 C ATOM 2366 NH1 ARG A 145 21.971 4.515 -1.917 1.00 0.00 N ATOM 2367 NH2 ARG A 145 22.009 5.032 0.318 1.00 0.00 N ATOM 0 H ARG A 145 18.804 -0.960 0.258 1.00 0.00 H new ATOM 0 HA ARG A 145 20.283 -2.621 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.220 -0.417 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.474 -0.565 -2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 145 19.191 1.129 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 145 20.495 0.580 0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 145 22.063 1.453 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 145 20.649 2.340 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 145 21.273 2.678 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 145 21.806 3.844 -2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 145 22.275 5.463 -2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 145 21.874 4.760 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 145 22.313 5.979 0.090 1.00 0.00 H new