USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -8.29! C(o=-15!,f=-20!) USER MOD Set 1.2: A 19 GLN : amide:sc= -7.21! C(o=-15!,f=-25!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= -1.24 (180deg=-2.99!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -9:sc= 0.926 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 18:sc= 0.448 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 105:sc= 0.28 USER MOD Single : A 37 GLN :FLIP amide:sc= -14.2! C(o=-16!,f=-14!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 128:sc= 0.422 USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= 0.738 (180deg=-0.196) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -13:sc= 0.00319 USER MOD Single : A 59 SER OG : rot 23:sc= -2.95! USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.0513 (180deg=-0.358) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.491 F(o=-1.4,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -17.000 9.636 15.042 1.00 0.00 N ATOM 2 CA GLU A 3 -16.172 8.567 14.413 1.00 0.00 C ATOM 3 C GLU A 3 -15.502 9.125 13.152 1.00 0.00 C ATOM 4 O GLU A 3 -15.906 10.146 12.632 1.00 0.00 O ATOM 5 CB GLU A 3 -17.065 7.379 14.041 1.00 0.00 C ATOM 6 CG GLU A 3 -17.775 6.855 15.296 1.00 0.00 C ATOM 7 CD GLU A 3 -18.317 5.448 15.027 1.00 0.00 C ATOM 8 OE1 GLU A 3 -17.597 4.662 14.430 1.00 0.00 O ATOM 9 OE2 GLU A 3 -19.440 5.181 15.422 1.00 0.00 O ATOM 0 HA GLU A 3 -15.407 8.234 15.115 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.800 7.683 13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.465 6.587 13.593 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -17.082 6.834 16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.590 7.524 15.571 1.00 0.00 H new ATOM 16 N LYS A 4 -14.480 8.473 12.657 1.00 0.00 N ATOM 17 CA LYS A 4 -13.790 8.985 11.428 1.00 0.00 C ATOM 18 C LYS A 4 -14.501 8.492 10.167 1.00 0.00 C ATOM 19 O LYS A 4 -15.565 7.909 10.224 1.00 0.00 O ATOM 20 CB LYS A 4 -12.324 8.532 11.401 1.00 0.00 C ATOM 21 CG LYS A 4 -12.220 6.997 11.557 1.00 0.00 C ATOM 22 CD LYS A 4 -10.923 6.627 12.301 1.00 0.00 C ATOM 23 CE LYS A 4 -11.137 6.751 13.813 1.00 0.00 C ATOM 24 NZ LYS A 4 -9.819 6.711 14.508 1.00 0.00 N ATOM 0 H LYS A 4 -14.094 7.613 13.046 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.824 10.074 11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.861 8.839 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.773 9.022 12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.083 6.620 12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.234 6.522 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.626 5.609 12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.112 7.283 11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.653 7.683 14.042 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.772 5.940 14.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.965 6.795 15.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.343 5.810 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.228 7.500 14.177 1.00 0.00 H new ATOM 38 N ARG A 5 -13.916 8.745 9.027 1.00 0.00 N ATOM 39 CA ARG A 5 -14.538 8.320 7.737 1.00 0.00 C ATOM 40 C ARG A 5 -14.109 6.889 7.385 1.00 0.00 C ATOM 41 O ARG A 5 -13.141 6.371 7.905 1.00 0.00 O ATOM 42 CB ARG A 5 -14.100 9.292 6.631 1.00 0.00 C ATOM 43 CG ARG A 5 -14.675 10.689 6.920 1.00 0.00 C ATOM 44 CD ARG A 5 -14.578 11.595 5.674 1.00 0.00 C ATOM 45 NE ARG A 5 -14.211 12.989 6.090 1.00 0.00 N ATOM 46 CZ ARG A 5 -14.786 13.566 7.119 1.00 0.00 C ATOM 47 NH1 ARG A 5 -15.828 13.024 7.687 1.00 0.00 N ATOM 48 NH2 ARG A 5 -14.350 14.721 7.548 1.00 0.00 N ATOM 0 H ARG A 5 -13.025 9.233 8.932 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.624 8.337 7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.012 9.338 6.582 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.448 8.937 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.716 10.601 7.230 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.133 11.145 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.831 11.202 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.530 11.602 5.143 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.501 13.498 5.563 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.203 12.144 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.268 13.480 8.486 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.563 15.174 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.797 15.170 8.348 1.00 0.00 H new ATOM 62 N ARG A 6 -14.833 6.247 6.500 1.00 0.00 N ATOM 63 CA ARG A 6 -14.492 4.847 6.094 1.00 0.00 C ATOM 64 C ARG A 6 -14.656 4.726 4.577 1.00 0.00 C ATOM 65 O ARG A 6 -14.996 5.680 3.906 1.00 0.00 O ATOM 66 CB ARG A 6 -15.440 3.864 6.778 1.00 0.00 C ATOM 67 CG ARG A 6 -15.342 4.019 8.298 1.00 0.00 C ATOM 68 CD ARG A 6 -16.181 2.933 8.979 1.00 0.00 C ATOM 69 NE ARG A 6 -17.555 2.877 8.373 1.00 0.00 N ATOM 70 CZ ARG A 6 -18.350 3.914 8.366 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.025 5.004 9.005 1.00 0.00 N ATOM 72 NH2 ARG A 6 -19.502 3.842 7.753 1.00 0.00 N ATOM 0 H ARG A 6 -15.654 6.637 6.037 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.467 4.619 6.386 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.464 4.045 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.189 2.843 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.302 3.942 8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.694 5.006 8.597 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.690 1.965 8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.255 3.138 10.047 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.876 2.004 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.144 5.052 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.652 5.808 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.777 2.979 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.126 4.648 7.744 1.00 0.00 H new ATOM 86 N ASP A 7 -14.415 3.562 4.025 1.00 0.00 N ATOM 87 CA ASP A 7 -14.557 3.385 2.542 1.00 0.00 C ATOM 88 C ASP A 7 -15.947 2.817 2.215 1.00 0.00 C ATOM 89 O ASP A 7 -16.847 2.837 3.030 1.00 0.00 O ATOM 90 CB ASP A 7 -13.479 2.422 2.029 1.00 0.00 C ATOM 91 CG ASP A 7 -13.825 0.981 2.419 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.563 0.805 3.374 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.346 0.077 1.753 1.00 0.00 O ATOM 0 H ASP A 7 -14.126 2.727 4.534 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.439 4.354 2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.395 2.503 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.509 2.696 2.445 1.00 0.00 H new ATOM 98 N ASN A 8 -16.117 2.305 1.023 1.00 0.00 N ATOM 99 CA ASN A 8 -17.436 1.729 0.629 1.00 0.00 C ATOM 100 C ASN A 8 -17.738 0.465 1.445 1.00 0.00 C ATOM 101 O ASN A 8 -18.880 0.085 1.600 1.00 0.00 O ATOM 102 CB ASN A 8 -17.420 1.391 -0.869 1.00 0.00 C ATOM 103 CG ASN A 8 -16.129 0.647 -1.226 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.676 -0.204 -0.484 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.511 0.942 -2.341 1.00 0.00 N ATOM 0 H ASN A 8 -15.395 2.261 0.303 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.215 2.464 0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.285 0.777 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.497 2.305 -1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.648 0.458 -2.589 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.892 1.656 -2.962 1.00 0.00 H new ATOM 112 N ARG A 9 -16.729 -0.196 1.965 1.00 0.00 N ATOM 113 CA ARG A 9 -16.970 -1.441 2.764 1.00 0.00 C ATOM 114 C ARG A 9 -16.910 -1.139 4.267 1.00 0.00 C ATOM 115 O ARG A 9 -16.999 -2.033 5.085 1.00 0.00 O ATOM 116 CB ARG A 9 -15.901 -2.480 2.404 1.00 0.00 C ATOM 117 CG ARG A 9 -16.292 -3.178 1.098 1.00 0.00 C ATOM 118 CD ARG A 9 -15.119 -4.009 0.580 1.00 0.00 C ATOM 119 NE ARG A 9 -15.619 -4.965 -0.451 1.00 0.00 N ATOM 120 CZ ARG A 9 -14.780 -5.628 -1.202 1.00 0.00 C ATOM 121 NH1 ARG A 9 -13.496 -5.515 -1.007 1.00 0.00 N ATOM 122 NH2 ARG A 9 -15.225 -6.417 -2.139 1.00 0.00 N ATOM 0 H ARG A 9 -15.750 0.073 1.870 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.962 -1.828 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.930 -1.997 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.804 -3.212 3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.158 -3.819 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.581 -2.437 0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.357 -3.358 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.650 -4.552 1.401 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.623 -5.102 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.144 -4.908 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.843 -6.034 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.229 -6.518 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.569 -6.934 -2.725 1.00 0.00 H new ATOM 136 N GLY A 10 -16.771 0.102 4.643 1.00 0.00 N ATOM 137 CA GLY A 10 -16.717 0.431 6.098 1.00 0.00 C ATOM 138 C GLY A 10 -15.311 0.151 6.642 1.00 0.00 C ATOM 139 O GLY A 10 -15.135 -0.158 7.804 1.00 0.00 O ATOM 0 H GLY A 10 -16.693 0.899 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.975 1.479 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.452 -0.162 6.642 1.00 0.00 H new ATOM 143 N ARG A 11 -14.307 0.251 5.809 1.00 0.00 N ATOM 144 CA ARG A 11 -12.911 -0.016 6.277 1.00 0.00 C ATOM 145 C ARG A 11 -12.293 1.261 6.853 1.00 0.00 C ATOM 146 O ARG A 11 -12.387 2.328 6.278 1.00 0.00 O ATOM 147 CB ARG A 11 -12.056 -0.504 5.103 1.00 0.00 C ATOM 148 CG ARG A 11 -12.440 -1.943 4.738 1.00 0.00 C ATOM 149 CD ARG A 11 -11.868 -2.317 3.359 1.00 0.00 C ATOM 150 NE ARG A 11 -11.603 -3.782 3.315 1.00 0.00 N ATOM 151 CZ ARG A 11 -11.476 -4.394 2.164 1.00 0.00 C ATOM 152 NH1 ARG A 11 -11.557 -3.719 1.052 1.00 0.00 N ATOM 153 NH2 ARG A 11 -11.268 -5.685 2.130 1.00 0.00 N ATOM 0 H ARG A 11 -14.392 0.506 4.825 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.943 -0.782 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.199 0.149 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.000 -0.456 5.367 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.061 -2.630 5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.525 -2.045 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.571 -2.040 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.947 -1.764 3.172 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.520 -4.310 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.720 -2.712 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.458 -4.197 0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.205 -6.214 3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.169 -6.162 1.234 1.00 0.00 H new ATOM 167 N ILE A 12 -11.648 1.153 7.982 1.00 0.00 N ATOM 168 CA ILE A 12 -11.004 2.349 8.599 1.00 0.00 C ATOM 169 C ILE A 12 -9.618 2.541 7.973 1.00 0.00 C ATOM 170 O ILE A 12 -8.659 1.918 8.382 1.00 0.00 O ATOM 171 CB ILE A 12 -10.844 2.117 10.113 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.228 2.114 10.808 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.937 3.205 10.723 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.675 3.542 11.163 1.00 0.00 C ATOM 0 H ILE A 12 -11.538 0.285 8.506 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.619 3.232 8.427 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.378 1.144 10.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.966 1.651 10.153 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.182 1.509 11.713 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.831 3.032 11.794 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.956 3.168 10.250 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.383 4.186 10.557 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.650 3.508 11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.948 3.994 11.838 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.744 4.138 10.253 1.00 0.00 H new ATOM 186 N LEU A 13 -9.497 3.399 6.991 1.00 0.00 N ATOM 187 CA LEU A 13 -8.158 3.624 6.354 1.00 0.00 C ATOM 188 C LEU A 13 -7.471 4.827 7.007 1.00 0.00 C ATOM 189 O LEU A 13 -8.113 5.774 7.420 1.00 0.00 O ATOM 190 CB LEU A 13 -8.333 3.868 4.847 1.00 0.00 C ATOM 191 CG LEU A 13 -9.239 5.104 4.585 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.382 6.327 4.228 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.192 4.815 3.416 1.00 0.00 C ATOM 0 H LEU A 13 -10.261 3.952 6.603 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.537 2.740 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.358 4.022 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.771 2.986 4.380 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.810 5.309 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.030 7.185 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.705 6.551 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.802 6.115 3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.824 5.685 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.612 4.598 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.817 3.956 3.660 1.00 0.00 H new ATOM 205 N LYS A 14 -6.167 4.792 7.121 1.00 0.00 N ATOM 206 CA LYS A 14 -5.439 5.928 7.765 1.00 0.00 C ATOM 207 C LYS A 14 -5.084 6.980 6.709 1.00 0.00 C ATOM 208 O LYS A 14 -5.365 6.830 5.537 1.00 0.00 O ATOM 209 CB LYS A 14 -4.140 5.432 8.429 1.00 0.00 C ATOM 210 CG LYS A 14 -4.360 4.107 9.190 1.00 0.00 C ATOM 211 CD LYS A 14 -5.107 4.343 10.521 1.00 0.00 C ATOM 212 CE LYS A 14 -4.136 4.755 11.641 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.749 6.183 11.475 1.00 0.00 N ATOM 0 H LYS A 14 -5.576 4.027 6.796 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.087 6.364 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.372 5.292 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.770 6.191 9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.930 3.418 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.398 3.635 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.860 5.120 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.635 3.434 10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.605 4.607 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.248 4.123 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.697 6.639 12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.821 6.239 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.459 6.669 10.891 1.00 0.00 H new ATOM 227 N THR A 15 -4.467 8.048 7.137 1.00 0.00 N ATOM 228 CA THR A 15 -4.070 9.145 6.194 1.00 0.00 C ATOM 229 C THR A 15 -3.167 8.617 5.073 1.00 0.00 C ATOM 230 O THR A 15 -2.367 7.723 5.269 1.00 0.00 O ATOM 231 CB THR A 15 -3.312 10.237 6.957 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.804 11.183 6.026 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.155 9.609 7.743 1.00 0.00 C ATOM 0 H THR A 15 -4.216 8.213 8.112 1.00 0.00 H new ATOM 0 HA THR A 15 -4.982 9.549 5.754 1.00 0.00 H new ATOM 0 HB THR A 15 -3.985 10.735 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.319 11.886 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.618 10.388 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.549 8.881 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.474 9.111 7.053 1.00 0.00 H new ATOM 241 N GLY A 16 -3.278 9.194 3.901 1.00 0.00 N ATOM 242 CA GLY A 16 -2.421 8.774 2.749 1.00 0.00 C ATOM 243 C GLY A 16 -3.182 7.795 1.853 1.00 0.00 C ATOM 244 O GLY A 16 -3.168 7.907 0.644 1.00 0.00 O ATOM 0 H GLY A 16 -3.934 9.947 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.121 9.649 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.508 8.307 3.117 1.00 0.00 H new ATOM 248 N GLU A 17 -3.840 6.834 2.431 1.00 0.00 N ATOM 249 CA GLU A 17 -4.589 5.850 1.607 1.00 0.00 C ATOM 250 C GLU A 17 -5.837 6.511 1.017 1.00 0.00 C ATOM 251 O GLU A 17 -6.342 7.489 1.532 1.00 0.00 O ATOM 252 CB GLU A 17 -4.999 4.676 2.494 1.00 0.00 C ATOM 253 CG GLU A 17 -3.754 3.892 2.920 1.00 0.00 C ATOM 254 CD GLU A 17 -2.988 4.682 3.984 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.633 5.258 4.844 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.770 4.696 3.922 1.00 0.00 O ATOM 0 H GLU A 17 -3.892 6.687 3.439 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.958 5.496 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.530 5.040 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.685 4.023 1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.043 2.918 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.114 3.710 2.057 1.00 0.00 H new ATOM 263 N SER A 18 -6.334 5.976 -0.062 1.00 0.00 N ATOM 264 CA SER A 18 -7.547 6.555 -0.700 1.00 0.00 C ATOM 265 C SER A 18 -8.217 5.482 -1.552 1.00 0.00 C ATOM 266 O SER A 18 -7.558 4.700 -2.209 1.00 0.00 O ATOM 267 CB SER A 18 -7.159 7.732 -1.597 1.00 0.00 C ATOM 268 OG SER A 18 -6.693 8.807 -0.792 1.00 0.00 O ATOM 0 H SER A 18 -5.949 5.157 -0.532 1.00 0.00 H new ATOM 0 HA SER A 18 -8.229 6.905 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.384 7.427 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.017 8.051 -2.188 1.00 0.00 H new ATOM 0 HG SER A 18 -6.860 8.605 0.152 1.00 0.00 H new ATOM 274 N GLN A 19 -9.521 5.435 -1.552 1.00 0.00 N ATOM 275 CA GLN A 19 -10.231 4.406 -2.369 1.00 0.00 C ATOM 276 C GLN A 19 -10.615 4.997 -3.721 1.00 0.00 C ATOM 277 O GLN A 19 -10.994 6.147 -3.827 1.00 0.00 O ATOM 278 CB GLN A 19 -11.493 3.955 -1.640 1.00 0.00 C ATOM 279 CG GLN A 19 -12.219 2.910 -2.491 1.00 0.00 C ATOM 280 CD GLN A 19 -13.236 2.166 -1.630 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.262 2.708 -1.272 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.991 0.933 -1.282 1.00 0.00 N ATOM 0 H GLN A 19 -10.126 6.063 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.571 3.552 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.235 3.535 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.146 4.808 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.721 3.394 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.501 2.207 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.129 0.480 -1.584 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.662 0.422 -0.708 1.00 0.00 H new ATOM 291 N ARG A 20 -10.521 4.209 -4.759 1.00 0.00 N ATOM 292 CA ARG A 20 -10.880 4.700 -6.120 1.00 0.00 C ATOM 293 C ARG A 20 -12.344 4.388 -6.402 1.00 0.00 C ATOM 294 O ARG A 20 -12.990 3.653 -5.680 1.00 0.00 O ATOM 295 CB ARG A 20 -10.000 4.019 -7.169 1.00 0.00 C ATOM 296 CG ARG A 20 -8.538 4.429 -6.948 1.00 0.00 C ATOM 297 CD ARG A 20 -7.630 3.839 -8.052 1.00 0.00 C ATOM 298 NE ARG A 20 -6.725 4.906 -8.595 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.201 5.999 -9.131 1.00 0.00 C ATOM 300 NH1 ARG A 20 -8.490 6.155 -9.263 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.384 6.926 -9.552 1.00 0.00 N ATOM 0 H ARG A 20 -10.208 3.239 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.721 5.777 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.101 2.936 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.322 4.304 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.457 5.516 -6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.202 4.083 -5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.037 3.019 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.241 3.425 -8.854 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.715 4.775 -8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.127 5.424 -8.948 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.860 7.008 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.376 6.797 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.753 7.780 -9.971 1.00 0.00 H new ATOM 315 N LYS A 21 -12.866 4.943 -7.453 1.00 0.00 N ATOM 316 CA LYS A 21 -14.285 4.702 -7.814 1.00 0.00 C ATOM 317 C LYS A 21 -14.513 3.221 -8.143 1.00 0.00 C ATOM 318 O LYS A 21 -15.620 2.727 -8.066 1.00 0.00 O ATOM 319 CB LYS A 21 -14.629 5.566 -9.035 1.00 0.00 C ATOM 320 CG LYS A 21 -16.099 5.338 -9.471 1.00 0.00 C ATOM 321 CD LYS A 21 -16.144 4.492 -10.749 1.00 0.00 C ATOM 322 CE LYS A 21 -17.596 4.281 -11.170 1.00 0.00 C ATOM 323 NZ LYS A 21 -17.627 3.581 -12.484 1.00 0.00 N ATOM 0 H LYS A 21 -12.362 5.563 -8.087 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.926 4.965 -6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.474 6.618 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.958 5.323 -9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.649 4.837 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.589 6.297 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.592 4.989 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.660 3.530 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.123 3.693 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.109 5.240 -11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.614 3.434 -12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.137 4.159 -13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.151 2.660 -12.398 1.00 0.00 H new ATOM 337 N ASP A 22 -13.486 2.507 -8.519 1.00 0.00 N ATOM 338 CA ASP A 22 -13.667 1.062 -8.865 1.00 0.00 C ATOM 339 C ASP A 22 -13.526 0.197 -7.608 1.00 0.00 C ATOM 340 O ASP A 22 -13.946 -0.943 -7.583 1.00 0.00 O ATOM 341 CB ASP A 22 -12.598 0.658 -9.878 1.00 0.00 C ATOM 342 CG ASP A 22 -12.740 1.509 -11.140 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.866 1.790 -11.519 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.721 1.870 -11.704 1.00 0.00 O ATOM 0 H ASP A 22 -12.532 2.858 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.661 0.914 -9.287 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.606 0.791 -9.447 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.699 -0.399 -10.126 1.00 0.00 H new ATOM 349 N GLY A 23 -12.947 0.737 -6.564 1.00 0.00 N ATOM 350 CA GLY A 23 -12.778 -0.035 -5.288 1.00 0.00 C ATOM 351 C GLY A 23 -11.290 -0.278 -5.003 1.00 0.00 C ATOM 352 O GLY A 23 -10.878 -0.337 -3.863 1.00 0.00 O ATOM 0 H GLY A 23 -12.580 1.688 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.228 0.514 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.301 -0.988 -5.360 1.00 0.00 H new ATOM 356 N ARG A 24 -10.475 -0.426 -6.018 1.00 0.00 N ATOM 357 CA ARG A 24 -9.021 -0.673 -5.762 1.00 0.00 C ATOM 358 C ARG A 24 -8.431 0.504 -4.983 1.00 0.00 C ATOM 359 O ARG A 24 -8.692 1.654 -5.276 1.00 0.00 O ATOM 360 CB ARG A 24 -8.274 -0.854 -7.087 1.00 0.00 C ATOM 361 CG ARG A 24 -8.730 0.204 -8.081 1.00 0.00 C ATOM 362 CD ARG A 24 -7.833 0.160 -9.317 1.00 0.00 C ATOM 363 NE ARG A 24 -8.158 1.308 -10.212 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.319 1.667 -11.144 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.174 1.049 -11.266 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.621 2.650 -11.952 1.00 0.00 N ATOM 0 H ARG A 24 -10.748 -0.387 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.912 -1.584 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.199 -0.774 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.462 -1.850 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.768 0.029 -8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.688 1.192 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.785 0.203 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.976 -0.781 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.037 1.813 -10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.936 0.286 -10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.518 1.330 -11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.512 3.136 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.965 2.931 -12.681 1.00 0.00 H new ATOM 380 N TYR A 25 -7.651 0.223 -3.972 1.00 0.00 N ATOM 381 CA TYR A 25 -7.065 1.319 -3.150 1.00 0.00 C ATOM 382 C TYR A 25 -5.848 1.940 -3.842 1.00 0.00 C ATOM 383 O TYR A 25 -5.353 1.448 -4.837 1.00 0.00 O ATOM 384 CB TYR A 25 -6.646 0.765 -1.790 1.00 0.00 C ATOM 385 CG TYR A 25 -7.867 0.253 -1.062 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.858 1.153 -0.659 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.014 -1.115 -0.796 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.996 0.693 0.008 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.156 -1.578 -0.129 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.148 -0.672 0.271 1.00 0.00 C ATOM 391 OH TYR A 25 -11.274 -1.124 0.921 1.00 0.00 O ATOM 0 H TYR A 25 -7.395 -0.720 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.821 2.094 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.922 -0.039 -1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.157 1.542 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.743 2.207 -0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.248 -1.811 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.758 1.391 0.320 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.272 -2.632 0.077 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.978 -0.444 0.867 1.00 0.00 H new ATOM 401 N LEU A 26 -5.380 3.037 -3.304 1.00 0.00 N ATOM 402 CA LEU A 26 -4.208 3.752 -3.885 1.00 0.00 C ATOM 403 C LEU A 26 -3.484 4.503 -2.755 1.00 0.00 C ATOM 404 O LEU A 26 -4.066 5.331 -2.081 1.00 0.00 O ATOM 405 CB LEU A 26 -4.742 4.746 -4.924 1.00 0.00 C ATOM 406 CG LEU A 26 -3.618 5.630 -5.494 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.510 4.764 -6.117 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.214 6.563 -6.561 1.00 0.00 C ATOM 0 H LEU A 26 -5.770 3.475 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.509 3.060 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.224 4.201 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.505 5.376 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.178 6.217 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.725 5.408 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.090 4.107 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.929 4.162 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.427 7.195 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.656 5.967 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.983 7.189 -6.108 1.00 0.00 H new ATOM 420 N TYR A 27 -2.221 4.217 -2.541 1.00 0.00 N ATOM 421 CA TYR A 27 -1.436 4.898 -1.456 1.00 0.00 C ATOM 422 C TYR A 27 -0.185 5.522 -2.078 1.00 0.00 C ATOM 423 O TYR A 27 0.075 5.350 -3.253 1.00 0.00 O ATOM 424 CB TYR A 27 -1.033 3.862 -0.399 1.00 0.00 C ATOM 425 CG TYR A 27 -0.091 4.475 0.621 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.584 5.319 1.627 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.278 4.176 0.572 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.290 5.861 2.581 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.151 4.722 1.522 1.00 0.00 C ATOM 430 CZ TYR A 27 1.658 5.564 2.527 1.00 0.00 C ATOM 431 OH TYR A 27 2.520 6.091 3.469 1.00 0.00 O ATOM 0 H TYR A 27 -1.692 3.531 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.037 5.674 -0.982 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.923 3.482 0.103 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.551 3.011 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.638 5.552 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.660 3.524 -0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.092 6.507 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.206 4.493 1.479 1.00 0.00 H new ATOM 0 HH TYR A 27 3.432 5.784 3.286 1.00 0.00 H new ATOM 441 N LYS A 28 0.580 6.255 -1.313 1.00 0.00 N ATOM 442 CA LYS A 28 1.808 6.905 -1.864 1.00 0.00 C ATOM 443 C LYS A 28 3.012 6.563 -0.987 1.00 0.00 C ATOM 444 O LYS A 28 3.034 6.866 0.190 1.00 0.00 O ATOM 445 CB LYS A 28 1.608 8.419 -1.851 1.00 0.00 C ATOM 446 CG LYS A 28 2.734 9.092 -2.639 1.00 0.00 C ATOM 447 CD LYS A 28 2.773 10.579 -2.299 1.00 0.00 C ATOM 448 CE LYS A 28 3.869 11.260 -3.116 1.00 0.00 C ATOM 449 NZ LYS A 28 3.839 12.727 -2.845 1.00 0.00 N ATOM 0 H LYS A 28 0.407 6.433 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 28 1.984 6.550 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.642 8.672 -2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.599 8.786 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.690 8.627 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.575 8.956 -3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.807 11.037 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.961 10.715 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.844 10.849 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.719 11.071 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.583 13.198 -3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.911 13.111 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.002 12.896 -1.832 1.00 0.00 H new ATOM 463 N TYR A 29 4.024 5.959 -1.563 1.00 0.00 N ATOM 464 CA TYR A 29 5.258 5.613 -0.784 1.00 0.00 C ATOM 465 C TYR A 29 6.461 6.243 -1.491 1.00 0.00 C ATOM 466 O TYR A 29 6.406 6.550 -2.665 1.00 0.00 O ATOM 467 CB TYR A 29 5.423 4.078 -0.689 1.00 0.00 C ATOM 468 CG TYR A 29 6.072 3.508 -1.938 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.337 3.388 -3.121 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.412 3.088 -1.902 1.00 0.00 C ATOM 471 CE1 TYR A 29 5.939 2.852 -4.267 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.010 2.552 -3.044 1.00 0.00 C ATOM 473 CZ TYR A 29 7.274 2.434 -4.228 1.00 0.00 C ATOM 474 OH TYR A 29 7.863 1.903 -5.357 1.00 0.00 O ATOM 0 H TYR A 29 4.049 5.689 -2.546 1.00 0.00 H new ATOM 0 HA TYR A 29 5.181 6.000 0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.029 3.830 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.447 3.615 -0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.306 3.708 -3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.981 3.180 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.372 2.761 -5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.040 2.229 -3.014 1.00 0.00 H new ATOM 0 HH TYR A 29 8.793 1.664 -5.160 1.00 0.00 H new ATOM 484 N ILE A 30 7.542 6.437 -0.786 1.00 0.00 N ATOM 485 CA ILE A 30 8.759 7.044 -1.404 1.00 0.00 C ATOM 486 C ILE A 30 9.791 5.944 -1.629 1.00 0.00 C ATOM 487 O ILE A 30 9.844 4.972 -0.900 1.00 0.00 O ATOM 488 CB ILE A 30 9.321 8.113 -0.462 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.234 9.161 -0.205 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.538 8.793 -1.101 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.779 10.266 0.701 1.00 0.00 C ATOM 0 H ILE A 30 7.636 6.199 0.201 1.00 0.00 H new ATOM 0 HA ILE A 30 8.511 7.509 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 30 9.628 7.647 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.897 9.587 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.367 8.692 0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.929 9.551 -0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.310 8.048 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.241 9.263 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.000 11.008 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.094 9.835 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.632 10.744 0.219 1.00 0.00 H new ATOM 503 N ASP A 31 10.613 6.083 -2.630 1.00 0.00 N ATOM 504 CA ASP A 31 11.636 5.039 -2.891 1.00 0.00 C ATOM 505 C ASP A 31 12.819 5.258 -1.950 1.00 0.00 C ATOM 506 O ASP A 31 12.908 6.261 -1.271 1.00 0.00 O ATOM 507 CB ASP A 31 12.120 5.129 -4.337 1.00 0.00 C ATOM 508 CG ASP A 31 10.945 4.898 -5.291 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.925 4.405 -4.834 1.00 0.00 O ATOM 510 OD2 ASP A 31 11.086 5.218 -6.461 1.00 0.00 O ATOM 0 H ASP A 31 10.620 6.872 -3.276 1.00 0.00 H new ATOM 0 HA ASP A 31 11.199 4.055 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.564 6.107 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.898 4.387 -4.517 1.00 0.00 H new ATOM 515 N SER A 32 13.725 4.325 -1.906 1.00 0.00 N ATOM 516 CA SER A 32 14.905 4.472 -1.015 1.00 0.00 C ATOM 517 C SER A 32 15.795 5.604 -1.530 1.00 0.00 C ATOM 518 O SER A 32 16.804 5.932 -0.937 1.00 0.00 O ATOM 519 CB SER A 32 15.694 3.162 -0.990 1.00 0.00 C ATOM 520 OG SER A 32 14.861 2.122 -0.496 1.00 0.00 O ATOM 0 H SER A 32 13.699 3.463 -2.451 1.00 0.00 H new ATOM 0 HA SER A 32 14.571 4.708 -0.005 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.046 2.917 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.577 3.268 -0.359 1.00 0.00 H new ATOM 0 HG SER A 32 14.577 1.550 -1.239 1.00 0.00 H new ATOM 526 N PHE A 33 15.438 6.200 -2.639 1.00 0.00 N ATOM 527 CA PHE A 33 16.276 7.303 -3.204 1.00 0.00 C ATOM 528 C PHE A 33 15.697 8.654 -2.772 1.00 0.00 C ATOM 529 O PHE A 33 16.370 9.665 -2.812 1.00 0.00 O ATOM 530 CB PHE A 33 16.262 7.193 -4.729 1.00 0.00 C ATOM 531 CG PHE A 33 16.375 5.732 -5.097 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.553 5.030 -4.817 1.00 0.00 C ATOM 533 CD2 PHE A 33 15.295 5.076 -5.700 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.652 3.672 -5.142 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.393 3.718 -6.023 1.00 0.00 C ATOM 536 CZ PHE A 33 16.573 3.015 -5.746 1.00 0.00 C ATOM 0 H PHE A 33 14.603 5.971 -3.178 1.00 0.00 H new ATOM 0 HA PHE A 33 17.300 7.224 -2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 33 15.342 7.617 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 33 17.089 7.758 -5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.385 5.536 -4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.386 5.618 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.561 3.131 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.559 3.212 -6.486 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.650 1.968 -5.998 1.00 0.00 H new ATOM 546 N GLY A 34 14.459 8.670 -2.333 1.00 0.00 N ATOM 547 CA GLY A 34 13.828 9.944 -1.864 1.00 0.00 C ATOM 548 C GLY A 34 12.772 10.413 -2.870 1.00 0.00 C ATOM 549 O GLY A 34 12.085 11.389 -2.642 1.00 0.00 O ATOM 0 H GLY A 34 13.856 7.849 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.368 9.793 -0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.591 10.713 -1.742 1.00 0.00 H new ATOM 553 N GLU A 35 12.631 9.738 -3.980 1.00 0.00 N ATOM 554 CA GLU A 35 11.610 10.169 -4.985 1.00 0.00 C ATOM 555 C GLU A 35 10.234 9.563 -4.626 1.00 0.00 C ATOM 556 O GLU A 35 10.165 8.461 -4.120 1.00 0.00 O ATOM 557 CB GLU A 35 12.043 9.685 -6.374 1.00 0.00 C ATOM 558 CG GLU A 35 12.294 8.180 -6.337 1.00 0.00 C ATOM 559 CD GLU A 35 12.582 7.673 -7.749 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.918 8.487 -8.592 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.465 6.478 -7.963 1.00 0.00 O ATOM 0 H GLU A 35 13.173 8.913 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 35 11.528 11.256 -4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.271 9.917 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.947 10.207 -6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.136 7.958 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.425 7.666 -5.926 1.00 0.00 H new ATOM 568 N PRO A 36 9.144 10.266 -4.877 1.00 0.00 N ATOM 569 CA PRO A 36 7.764 9.759 -4.569 1.00 0.00 C ATOM 570 C PRO A 36 7.234 8.744 -5.611 1.00 0.00 C ATOM 571 O PRO A 36 7.510 8.846 -6.791 1.00 0.00 O ATOM 572 CB PRO A 36 6.920 11.037 -4.602 1.00 0.00 C ATOM 573 CG PRO A 36 7.597 11.906 -5.608 1.00 0.00 C ATOM 574 CD PRO A 36 9.095 11.624 -5.465 1.00 0.00 C ATOM 0 HA PRO A 36 7.737 9.217 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.890 10.825 -4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.886 11.515 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.251 11.679 -6.616 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.378 12.958 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.603 11.661 -6.429 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.580 12.357 -4.820 1.00 0.00 H new ATOM 582 N GLN A 37 6.442 7.788 -5.172 1.00 0.00 N ATOM 583 CA GLN A 37 5.842 6.774 -6.110 1.00 0.00 C ATOM 584 C GLN A 37 4.408 6.467 -5.647 1.00 0.00 C ATOM 585 O GLN A 37 3.947 6.984 -4.648 1.00 0.00 O ATOM 586 CB GLN A 37 6.665 5.467 -6.092 1.00 0.00 C ATOM 587 CG GLN A 37 7.818 5.541 -7.099 1.00 0.00 C ATOM 588 CD GLN A 37 8.825 6.593 -6.646 1.00 0.00 C ATOM 589 OE1 GLN A 37 9.032 6.771 -5.371 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 9.429 7.265 -7.458 1.00 0.00 N flip ATOM 0 H GLN A 37 6.182 7.665 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 37 5.843 7.177 -7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.060 5.293 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.020 4.622 -6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.305 4.569 -7.182 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.435 5.792 -8.088 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.268 7.126 -8.456 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.097 7.968 -7.142 1.00 0.00 H new ATOM 599 N PHE A 38 3.704 5.622 -6.365 1.00 0.00 N ATOM 600 CA PHE A 38 2.302 5.261 -5.978 1.00 0.00 C ATOM 601 C PHE A 38 2.121 3.742 -6.067 1.00 0.00 C ATOM 602 O PHE A 38 2.796 3.072 -6.826 1.00 0.00 O ATOM 603 CB PHE A 38 1.328 5.945 -6.938 1.00 0.00 C ATOM 604 CG PHE A 38 1.322 7.427 -6.686 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.270 8.248 -7.304 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.358 7.981 -5.840 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.255 9.627 -7.073 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.342 9.359 -5.607 1.00 0.00 C ATOM 609 CZ PHE A 38 1.290 10.183 -6.225 1.00 0.00 C ATOM 0 H PHE A 38 4.045 5.163 -7.210 1.00 0.00 H new ATOM 0 HA PHE A 38 2.107 5.589 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.617 5.743 -7.969 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.325 5.540 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.013 7.818 -7.959 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.375 7.345 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.987 10.263 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.401 9.788 -4.951 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.277 11.248 -6.047 1.00 0.00 H new ATOM 619 N VAL A 39 1.214 3.193 -5.289 1.00 0.00 N ATOM 620 CA VAL A 39 0.974 1.717 -5.307 1.00 0.00 C ATOM 621 C VAL A 39 -0.527 1.449 -5.460 1.00 0.00 C ATOM 622 O VAL A 39 -1.353 2.285 -5.164 1.00 0.00 O ATOM 623 CB VAL A 39 1.471 1.113 -3.984 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.968 0.821 -4.075 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.214 2.105 -2.841 1.00 0.00 C ATOM 0 H VAL A 39 0.626 3.713 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 39 1.509 1.264 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 39 0.935 0.184 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.313 0.393 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.152 0.114 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.508 1.747 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.566 1.678 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.748 3.035 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.146 2.308 -2.769 1.00 0.00 H new ATOM 635 N TYR A 40 -0.874 0.276 -5.918 1.00 0.00 N ATOM 636 CA TYR A 40 -2.312 -0.091 -6.106 1.00 0.00 C ATOM 637 C TYR A 40 -2.584 -1.432 -5.424 1.00 0.00 C ATOM 638 O TYR A 40 -1.712 -2.271 -5.319 1.00 0.00 O ATOM 639 CB TYR A 40 -2.590 -0.208 -7.603 1.00 0.00 C ATOM 640 CG TYR A 40 -2.593 1.175 -8.210 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.388 1.874 -8.372 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.801 1.759 -8.600 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.395 3.159 -8.929 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.811 3.038 -9.155 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.610 3.741 -9.321 1.00 0.00 C ATOM 646 OH TYR A 40 -2.623 5.007 -9.870 1.00 0.00 O ATOM 0 H TYR A 40 -0.212 -0.457 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.958 0.670 -5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.830 -0.827 -8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.550 -0.695 -7.771 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.456 1.422 -8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.728 1.219 -8.471 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.469 3.700 -9.056 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.745 3.487 -9.457 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.545 5.260 -10.087 1.00 0.00 H new ATOM 656 N SER A 41 -3.783 -1.642 -4.952 1.00 0.00 N ATOM 657 CA SER A 41 -4.094 -2.933 -4.271 1.00 0.00 C ATOM 658 C SER A 41 -5.605 -3.065 -4.067 1.00 0.00 C ATOM 659 O SER A 41 -6.289 -2.104 -3.773 1.00 0.00 O ATOM 660 CB SER A 41 -3.397 -2.967 -2.911 1.00 0.00 C ATOM 661 OG SER A 41 -3.732 -4.175 -2.239 1.00 0.00 O ATOM 0 H SER A 41 -4.557 -0.980 -5.007 1.00 0.00 H new ATOM 0 HA SER A 41 -3.742 -3.759 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.317 -2.898 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.701 -2.108 -2.312 1.00 0.00 H new ATOM 0 HG SER A 41 -2.912 -4.629 -1.954 1.00 0.00 H new ATOM 667 N TRP A 42 -6.126 -4.253 -4.218 1.00 0.00 N ATOM 668 CA TRP A 42 -7.590 -4.469 -4.035 1.00 0.00 C ATOM 669 C TRP A 42 -7.874 -4.824 -2.575 1.00 0.00 C ATOM 670 O TRP A 42 -8.957 -5.255 -2.237 1.00 0.00 O ATOM 671 CB TRP A 42 -8.048 -5.628 -4.933 1.00 0.00 C ATOM 672 CG TRP A 42 -8.190 -5.157 -6.338 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.246 -5.272 -7.290 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.333 -4.509 -6.961 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.731 -4.724 -8.462 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.016 -4.242 -8.311 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.601 -4.129 -6.488 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.927 -3.617 -9.167 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.521 -3.501 -7.344 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.184 -3.245 -8.682 1.00 0.00 C ATOM 0 H TRP A 42 -5.596 -5.089 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.128 -3.559 -4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.326 -6.443 -4.885 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -8.999 -6.023 -4.575 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.271 -5.718 -7.160 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.203 -4.681 -9.334 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.870 -4.321 -5.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.662 -3.423 -10.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.493 -3.214 -6.970 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.895 -2.761 -9.336 1.00 0.00 H new ATOM 691 N LYS A 43 -6.906 -4.657 -1.710 1.00 0.00 N ATOM 692 CA LYS A 43 -7.118 -5.000 -0.270 1.00 0.00 C ATOM 693 C LYS A 43 -6.460 -3.955 0.630 1.00 0.00 C ATOM 694 O LYS A 43 -5.495 -3.319 0.262 1.00 0.00 O ATOM 695 CB LYS A 43 -6.473 -6.350 0.011 1.00 0.00 C ATOM 696 CG LYS A 43 -7.091 -7.415 -0.904 1.00 0.00 C ATOM 697 CD LYS A 43 -6.857 -8.823 -0.332 1.00 0.00 C ATOM 698 CE LYS A 43 -5.419 -9.275 -0.604 1.00 0.00 C ATOM 699 NZ LYS A 43 -5.053 -10.350 0.361 1.00 0.00 N ATOM 0 H LYS A 43 -5.979 -4.298 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.188 -5.028 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.397 -6.292 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.619 -6.624 1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.160 -7.234 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.654 -7.344 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.049 -8.824 0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.558 -9.527 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.327 -9.641 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.735 -8.432 -0.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.225 -10.052 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.853 -10.528 1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.826 -11.221 -0.160 1.00 0.00 H new ATOM 713 N LEU A 44 -6.974 -3.797 1.823 1.00 0.00 N ATOM 714 CA LEU A 44 -6.384 -2.820 2.781 1.00 0.00 C ATOM 715 C LEU A 44 -5.487 -3.580 3.760 1.00 0.00 C ATOM 716 O LEU A 44 -4.397 -3.145 4.076 1.00 0.00 O ATOM 717 CB LEU A 44 -7.511 -2.113 3.541 1.00 0.00 C ATOM 718 CG LEU A 44 -6.937 -1.168 4.606 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.255 0.031 3.939 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.090 -0.679 5.484 1.00 0.00 C ATOM 0 H LEU A 44 -7.783 -4.308 2.175 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.795 -2.073 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.130 -1.549 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.157 -2.852 4.014 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.197 -1.696 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.852 0.693 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.444 -0.320 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.982 0.574 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.704 -0.005 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.818 -0.150 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.571 -1.533 5.962 1.00 0.00 H new ATOM 732 N VAL A 45 -5.950 -4.709 4.246 1.00 0.00 N ATOM 733 CA VAL A 45 -5.140 -5.524 5.215 1.00 0.00 C ATOM 734 C VAL A 45 -4.842 -6.893 4.589 1.00 0.00 C ATOM 735 O VAL A 45 -5.372 -7.246 3.555 1.00 0.00 O ATOM 736 CB VAL A 45 -5.926 -5.724 6.526 1.00 0.00 C ATOM 737 CG1 VAL A 45 -4.960 -5.870 7.708 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.835 -4.518 6.768 1.00 0.00 C ATOM 0 H VAL A 45 -6.861 -5.105 4.012 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.209 -5.002 5.435 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.526 -6.630 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.529 -6.011 8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.314 -6.733 7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.350 -4.971 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.390 -4.661 7.695 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.229 -3.615 6.843 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.535 -4.417 5.938 1.00 0.00 H new ATOM 748 N ALA A 46 -3.984 -7.655 5.204 1.00 0.00 N ATOM 749 CA ALA A 46 -3.628 -8.995 4.649 1.00 0.00 C ATOM 750 C ALA A 46 -4.733 -10.014 4.933 1.00 0.00 C ATOM 751 O ALA A 46 -4.764 -11.076 4.344 1.00 0.00 O ATOM 752 CB ALA A 46 -2.319 -9.476 5.276 1.00 0.00 C ATOM 0 H ALA A 46 -3.509 -7.409 6.073 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.511 -8.902 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.059 -10.454 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.524 -8.766 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.439 -9.551 6.357 1.00 0.00 H new ATOM 758 N THR A 47 -5.636 -9.726 5.833 1.00 0.00 N ATOM 759 CA THR A 47 -6.713 -10.722 6.133 1.00 0.00 C ATOM 760 C THR A 47 -7.885 -10.538 5.162 1.00 0.00 C ATOM 761 O THR A 47 -8.750 -11.384 5.059 1.00 0.00 O ATOM 762 CB THR A 47 -7.223 -10.520 7.567 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.855 -9.249 7.676 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.057 -10.598 8.553 1.00 0.00 C ATOM 0 H THR A 47 -5.677 -8.858 6.368 1.00 0.00 H new ATOM 0 HA THR A 47 -6.300 -11.725 6.023 1.00 0.00 H new ATOM 0 HB THR A 47 -7.942 -11.305 7.802 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.181 -9.123 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.428 -10.454 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.581 -11.575 8.477 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.330 -9.821 8.319 1.00 0.00 H new ATOM 772 N ASP A 48 -7.925 -9.444 4.449 1.00 0.00 N ATOM 773 CA ASP A 48 -9.048 -9.217 3.493 1.00 0.00 C ATOM 774 C ASP A 48 -8.923 -10.157 2.290 1.00 0.00 C ATOM 775 O ASP A 48 -7.998 -10.938 2.190 1.00 0.00 O ATOM 776 CB ASP A 48 -9.018 -7.768 3.013 1.00 0.00 C ATOM 777 CG ASP A 48 -9.206 -6.836 4.207 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.136 -7.058 4.965 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.416 -5.919 4.345 1.00 0.00 O ATOM 0 H ASP A 48 -7.230 -8.699 4.487 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.991 -9.420 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.070 -7.557 2.518 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.806 -7.600 2.279 1.00 0.00 H new ATOM 784 N ARG A 49 -9.857 -10.084 1.374 1.00 0.00 N ATOM 785 CA ARG A 49 -9.822 -10.964 0.163 1.00 0.00 C ATOM 786 C ARG A 49 -10.179 -10.113 -1.067 1.00 0.00 C ATOM 787 O ARG A 49 -10.949 -9.178 -0.974 1.00 0.00 O ATOM 788 CB ARG A 49 -10.857 -12.105 0.351 1.00 0.00 C ATOM 789 CG ARG A 49 -10.225 -13.478 0.072 1.00 0.00 C ATOM 790 CD ARG A 49 -9.981 -13.634 -1.429 1.00 0.00 C ATOM 791 NE ARG A 49 -9.338 -14.950 -1.699 1.00 0.00 N ATOM 792 CZ ARG A 49 -9.342 -15.437 -2.910 1.00 0.00 C ATOM 793 NH1 ARG A 49 -9.958 -14.797 -3.867 1.00 0.00 N ATOM 794 NH2 ARG A 49 -8.744 -16.570 -3.164 1.00 0.00 N ATOM 0 H ARG A 49 -10.651 -9.445 1.414 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.833 -11.399 0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.248 -12.081 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.702 -11.947 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.285 -13.574 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.882 -14.271 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.924 -13.562 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.344 -12.826 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.896 -15.469 -0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.435 -13.918 -3.668 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.962 -15.176 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.272 -17.077 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.749 -16.948 -4.111 1.00 0.00 H new ATOM 808 N VAL A 50 -9.628 -10.420 -2.213 1.00 0.00 N ATOM 809 CA VAL A 50 -9.945 -9.615 -3.426 1.00 0.00 C ATOM 810 C VAL A 50 -11.313 -10.043 -3.985 1.00 0.00 C ATOM 811 O VAL A 50 -11.691 -11.191 -3.860 1.00 0.00 O ATOM 812 CB VAL A 50 -8.876 -9.857 -4.492 1.00 0.00 C ATOM 813 CG1 VAL A 50 -7.521 -9.389 -3.985 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.797 -11.345 -4.829 1.00 0.00 C ATOM 0 H VAL A 50 -8.975 -11.190 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.970 -8.558 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.145 -9.296 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.765 -9.565 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.566 -8.324 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.259 -9.942 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.033 -11.506 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.541 -11.908 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.761 -11.684 -5.207 1.00 0.00 H new ATOM 824 N PRO A 51 -12.054 -9.151 -4.616 1.00 0.00 N ATOM 825 CA PRO A 51 -13.381 -9.513 -5.192 1.00 0.00 C ATOM 826 C PRO A 51 -13.283 -10.755 -6.090 1.00 0.00 C ATOM 827 O PRO A 51 -12.282 -10.981 -6.738 1.00 0.00 O ATOM 828 CB PRO A 51 -13.795 -8.279 -6.019 1.00 0.00 C ATOM 829 CG PRO A 51 -12.991 -7.133 -5.481 1.00 0.00 C ATOM 830 CD PRO A 51 -11.725 -7.727 -4.847 1.00 0.00 C ATOM 0 HA PRO A 51 -14.105 -9.760 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.593 -8.434 -7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -14.863 -8.085 -5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.732 -6.437 -6.278 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.565 -6.573 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.864 -7.621 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.475 -7.222 -3.914 1.00 0.00 H new ATOM 838 N ALA A 52 -14.310 -11.550 -6.138 1.00 0.00 N ATOM 839 CA ALA A 52 -14.268 -12.764 -7.001 1.00 0.00 C ATOM 840 C ALA A 52 -13.812 -12.376 -8.412 1.00 0.00 C ATOM 841 O ALA A 52 -14.198 -11.351 -8.939 1.00 0.00 O ATOM 842 CB ALA A 52 -15.661 -13.388 -7.074 1.00 0.00 C ATOM 0 H ALA A 52 -15.177 -11.415 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.568 -13.483 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.629 -14.276 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.988 -13.667 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.361 -12.667 -7.497 1.00 0.00 H new ATOM 848 N GLY A 53 -13.009 -13.199 -9.035 1.00 0.00 N ATOM 849 CA GLY A 53 -12.541 -12.896 -10.424 1.00 0.00 C ATOM 850 C GLY A 53 -11.167 -12.220 -10.392 1.00 0.00 C ATOM 851 O GLY A 53 -10.419 -12.280 -11.348 1.00 0.00 O ATOM 0 H GLY A 53 -12.655 -14.071 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.486 -13.817 -11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.261 -12.247 -10.923 1.00 0.00 H new ATOM 855 N LYS A 54 -10.825 -11.571 -9.310 1.00 0.00 N ATOM 856 CA LYS A 54 -9.503 -10.887 -9.229 1.00 0.00 C ATOM 857 C LYS A 54 -8.500 -11.801 -8.508 1.00 0.00 C ATOM 858 O LYS A 54 -8.836 -12.460 -7.545 1.00 0.00 O ATOM 859 CB LYS A 54 -9.675 -9.605 -8.421 1.00 0.00 C ATOM 860 CG LYS A 54 -10.784 -8.730 -9.021 1.00 0.00 C ATOM 861 CD LYS A 54 -10.454 -8.358 -10.475 1.00 0.00 C ATOM 862 CE LYS A 54 -11.203 -7.077 -10.862 1.00 0.00 C ATOM 863 NZ LYS A 54 -10.963 -6.774 -12.301 1.00 0.00 N ATOM 0 H LYS A 54 -11.407 -11.486 -8.477 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.135 -10.661 -10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.918 -9.851 -7.387 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.737 -9.051 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.735 -9.262 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.902 -7.824 -8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.380 -8.211 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.737 -9.172 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.271 -7.198 -10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.866 -6.245 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.471 -5.905 -12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.944 -6.641 -12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.306 -7.564 -12.884 1.00 0.00 H new ATOM 877 N ARG A 55 -7.269 -11.843 -8.953 1.00 0.00 N ATOM 878 CA ARG A 55 -6.267 -12.715 -8.269 1.00 0.00 C ATOM 879 C ARG A 55 -5.860 -12.067 -6.941 1.00 0.00 C ATOM 880 O ARG A 55 -5.941 -10.866 -6.779 1.00 0.00 O ATOM 881 CB ARG A 55 -5.033 -12.896 -9.163 1.00 0.00 C ATOM 882 CG ARG A 55 -4.294 -11.564 -9.320 1.00 0.00 C ATOM 883 CD ARG A 55 -3.266 -11.688 -10.449 1.00 0.00 C ATOM 884 NE ARG A 55 -2.402 -12.878 -10.214 1.00 0.00 N ATOM 885 CZ ARG A 55 -1.707 -13.384 -11.198 1.00 0.00 C ATOM 886 NH1 ARG A 55 -1.767 -12.845 -12.386 1.00 0.00 N ATOM 887 NH2 ARG A 55 -0.953 -14.427 -10.994 1.00 0.00 N ATOM 0 H ARG A 55 -6.917 -11.316 -9.753 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.707 -13.694 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.366 -13.641 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.335 -13.270 -10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.002 -10.766 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.797 -11.298 -8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.775 -11.780 -11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.655 -10.787 -10.498 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.353 -13.298 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.357 -12.028 -12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.224 -13.241 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.905 -14.848 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.410 -14.822 -11.762 1.00 0.00 H new ATOM 901 N ASP A 56 -5.445 -12.853 -5.982 1.00 0.00 N ATOM 902 CA ASP A 56 -5.059 -12.278 -4.657 1.00 0.00 C ATOM 903 C ASP A 56 -4.046 -11.152 -4.849 1.00 0.00 C ATOM 904 O ASP A 56 -3.432 -11.024 -5.889 1.00 0.00 O ATOM 905 CB ASP A 56 -4.437 -13.362 -3.773 1.00 0.00 C ATOM 906 CG ASP A 56 -4.164 -12.788 -2.379 1.00 0.00 C ATOM 907 OD1 ASP A 56 -4.980 -12.012 -1.909 1.00 0.00 O ATOM 908 OD2 ASP A 56 -3.142 -13.132 -1.807 1.00 0.00 O ATOM 0 H ASP A 56 -5.356 -13.866 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.956 -11.886 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.109 -14.217 -3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.509 -13.722 -4.218 1.00 0.00 H new ATOM 913 N CYS A 57 -3.866 -10.337 -3.842 1.00 0.00 N ATOM 914 CA CYS A 57 -2.891 -9.213 -3.939 1.00 0.00 C ATOM 915 C CYS A 57 -2.299 -8.947 -2.558 1.00 0.00 C ATOM 916 O CYS A 57 -2.855 -9.334 -1.550 1.00 0.00 O ATOM 917 CB CYS A 57 -3.604 -7.956 -4.439 1.00 0.00 C ATOM 918 SG CYS A 57 -4.348 -8.295 -6.052 1.00 0.00 S ATOM 0 H CYS A 57 -4.357 -10.404 -2.950 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.096 -9.476 -4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.372 -7.652 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.897 -7.130 -4.518 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.880 -9.414 -6.519 1.00 0.00 H new ATOM 924 N ILE A 58 -1.172 -8.298 -2.499 1.00 0.00 N ATOM 925 CA ILE A 58 -0.548 -8.018 -1.178 1.00 0.00 C ATOM 926 C ILE A 58 -1.151 -6.742 -0.590 1.00 0.00 C ATOM 927 O ILE A 58 -1.310 -5.742 -1.263 1.00 0.00 O ATOM 928 CB ILE A 58 0.957 -7.861 -1.362 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.522 -9.191 -1.870 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.604 -7.505 -0.024 1.00 0.00 C ATOM 931 CD1 ILE A 58 2.994 -9.025 -2.255 1.00 0.00 C ATOM 0 H ILE A 58 -0.656 -7.950 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.739 -8.843 -0.491 1.00 0.00 H new ATOM 0 HB ILE A 58 1.167 -7.066 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.424 -9.955 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.949 -9.533 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.680 -7.393 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.185 -6.569 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.409 -8.299 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.386 -9.977 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.082 -8.276 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.564 -8.704 -1.383 1.00 0.00 H new ATOM 943 N SER A 59 -1.498 -6.784 0.664 1.00 0.00 N ATOM 944 CA SER A 59 -2.106 -5.599 1.330 1.00 0.00 C ATOM 945 C SER A 59 -1.158 -4.407 1.244 1.00 0.00 C ATOM 946 O SER A 59 0.041 -4.567 1.136 1.00 0.00 O ATOM 947 CB SER A 59 -2.346 -5.945 2.788 1.00 0.00 C ATOM 948 OG SER A 59 -2.943 -4.840 3.444 1.00 0.00 O ATOM 0 H SER A 59 -1.385 -7.600 1.265 1.00 0.00 H new ATOM 0 HA SER A 59 -3.043 -5.338 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.993 -6.819 2.864 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.404 -6.203 3.271 1.00 0.00 H new ATOM 0 HG SER A 59 -3.386 -4.268 2.783 1.00 0.00 H new ATOM 954 N LEU A 60 -1.678 -3.209 1.284 1.00 0.00 N ATOM 955 CA LEU A 60 -0.788 -2.021 1.196 1.00 0.00 C ATOM 956 C LEU A 60 0.195 -2.020 2.368 1.00 0.00 C ATOM 957 O LEU A 60 1.392 -1.910 2.184 1.00 0.00 O ATOM 958 CB LEU A 60 -1.619 -0.727 1.247 1.00 0.00 C ATOM 959 CG LEU A 60 -2.550 -0.627 0.023 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.734 0.302 0.347 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.787 -0.053 -1.185 1.00 0.00 C ATOM 0 H LEU A 60 -2.673 -3.005 1.373 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.243 -2.068 0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.210 -0.705 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.955 0.137 1.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.912 -1.626 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.391 0.371 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.291 -0.100 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.360 1.294 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.458 0.012 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.414 0.942 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.948 -0.705 -1.429 1.00 0.00 H new ATOM 973 N ARG A 61 -0.292 -2.120 3.575 1.00 0.00 N ATOM 974 CA ARG A 61 0.629 -2.093 4.748 1.00 0.00 C ATOM 975 C ARG A 61 1.771 -3.086 4.534 1.00 0.00 C ATOM 976 O ARG A 61 2.924 -2.766 4.743 1.00 0.00 O ATOM 977 CB ARG A 61 -0.164 -2.440 6.010 1.00 0.00 C ATOM 978 CG ARG A 61 -1.519 -1.695 5.972 1.00 0.00 C ATOM 979 CD ARG A 61 -1.922 -1.227 7.368 1.00 0.00 C ATOM 980 NE ARG A 61 -3.201 -0.479 7.259 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.941 -0.284 8.314 1.00 0.00 C ATOM 982 NH1 ARG A 61 -3.561 -0.752 9.474 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.064 0.373 8.204 1.00 0.00 N ATOM 0 H ARG A 61 -1.282 -2.219 3.799 1.00 0.00 H new ATOM 0 HA ARG A 61 1.061 -1.099 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.327 -3.516 6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.398 -2.154 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.449 -0.838 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.289 -2.352 5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.037 -2.081 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.146 -0.591 7.794 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.501 -0.116 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.686 -1.270 9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.140 -0.600 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.359 0.731 7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.647 0.528 9.027 1.00 0.00 H new ATOM 997 N GLU A 62 1.480 -4.279 4.100 1.00 0.00 N ATOM 998 CA GLU A 62 2.583 -5.248 3.864 1.00 0.00 C ATOM 999 C GLU A 62 3.375 -4.799 2.633 1.00 0.00 C ATOM 1000 O GLU A 62 4.562 -5.028 2.525 1.00 0.00 O ATOM 1001 CB GLU A 62 2.008 -6.652 3.645 1.00 0.00 C ATOM 1002 CG GLU A 62 1.443 -7.179 4.969 1.00 0.00 C ATOM 1003 CD GLU A 62 2.585 -7.412 5.964 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.319 -8.370 5.782 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.707 -6.624 6.887 1.00 0.00 O ATOM 0 H GLU A 62 0.540 -4.622 3.901 1.00 0.00 H new ATOM 0 HA GLU A 62 3.243 -5.280 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.225 -6.623 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.784 -7.322 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.730 -6.465 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.901 -8.109 4.799 1.00 0.00 H new ATOM 1012 N LYS A 63 2.721 -4.147 1.712 1.00 0.00 N ATOM 1013 CA LYS A 63 3.423 -3.663 0.493 1.00 0.00 C ATOM 1014 C LYS A 63 4.326 -2.477 0.867 1.00 0.00 C ATOM 1015 O LYS A 63 5.466 -2.389 0.457 1.00 0.00 O ATOM 1016 CB LYS A 63 2.375 -3.208 -0.532 1.00 0.00 C ATOM 1017 CG LYS A 63 2.998 -3.159 -1.934 1.00 0.00 C ATOM 1018 CD LYS A 63 2.003 -2.553 -2.943 1.00 0.00 C ATOM 1019 CE LYS A 63 1.051 -3.637 -3.461 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.794 -4.549 -4.378 1.00 0.00 N ATOM 0 H LYS A 63 1.726 -3.928 1.753 1.00 0.00 H new ATOM 0 HA LYS A 63 4.032 -4.461 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.527 -3.893 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.992 -2.224 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.911 -2.565 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.279 -4.164 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.433 -1.754 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.545 -2.106 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.636 -4.201 -2.626 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.212 -3.180 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.125 -5.008 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.488 -4.001 -4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.288 -5.275 -3.821 1.00 0.00 H new ATOM 1034 N ILE A 64 3.802 -1.558 1.637 1.00 0.00 N ATOM 1035 CA ILE A 64 4.594 -0.358 2.043 1.00 0.00 C ATOM 1036 C ILE A 64 5.896 -0.790 2.740 1.00 0.00 C ATOM 1037 O ILE A 64 6.975 -0.396 2.349 1.00 0.00 O ATOM 1038 CB ILE A 64 3.722 0.513 2.998 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.849 1.508 2.198 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.594 1.306 3.985 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.635 0.793 1.616 1.00 0.00 C ATOM 0 H ILE A 64 2.851 -1.588 2.005 1.00 0.00 H new ATOM 0 HA ILE A 64 4.864 0.225 1.162 1.00 0.00 H new ATOM 0 HB ILE A 64 3.081 -0.172 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.525 2.322 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.436 1.955 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.955 1.903 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.182 0.614 4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.264 1.964 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.028 1.504 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.967 -0.005 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.041 0.368 2.425 1.00 0.00 H new ATOM 1053 N ALA A 65 5.802 -1.574 3.776 1.00 0.00 N ATOM 1054 CA ALA A 65 7.038 -2.000 4.504 1.00 0.00 C ATOM 1055 C ALA A 65 7.980 -2.764 3.568 1.00 0.00 C ATOM 1056 O ALA A 65 9.183 -2.555 3.565 1.00 0.00 O ATOM 1057 CB ALA A 65 6.646 -2.916 5.668 1.00 0.00 C ATOM 0 H ALA A 65 4.928 -1.940 4.153 1.00 0.00 H new ATOM 0 HA ALA A 65 7.549 -1.111 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.543 -3.230 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.988 -2.377 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.128 -3.794 5.282 1.00 0.00 H new ATOM 1063 N GLU A 66 7.448 -3.668 2.800 1.00 0.00 N ATOM 1064 CA GLU A 66 8.302 -4.487 1.892 1.00 0.00 C ATOM 1065 C GLU A 66 8.894 -3.647 0.757 1.00 0.00 C ATOM 1066 O GLU A 66 9.999 -3.893 0.311 1.00 0.00 O ATOM 1067 CB GLU A 66 7.447 -5.599 1.283 1.00 0.00 C ATOM 1068 CG GLU A 66 7.009 -6.576 2.375 1.00 0.00 C ATOM 1069 CD GLU A 66 5.950 -7.522 1.810 1.00 0.00 C ATOM 1070 OE1 GLU A 66 5.171 -7.081 0.980 1.00 0.00 O ATOM 1071 OE2 GLU A 66 5.936 -8.672 2.213 1.00 0.00 O ATOM 0 H GLU A 66 6.451 -3.879 2.760 1.00 0.00 H new ATOM 0 HA GLU A 66 9.125 -4.896 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.572 -5.171 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.014 -6.127 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.866 -7.145 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.607 -6.030 3.228 1.00 0.00 H new ATOM 1078 N LEU A 67 8.178 -2.681 0.257 1.00 0.00 N ATOM 1079 CA LEU A 67 8.731 -1.885 -0.873 1.00 0.00 C ATOM 1080 C LEU A 67 9.940 -1.050 -0.441 1.00 0.00 C ATOM 1081 O LEU A 67 10.892 -0.941 -1.169 1.00 0.00 O ATOM 1082 CB LEU A 67 7.636 -0.960 -1.445 1.00 0.00 C ATOM 1083 CG LEU A 67 6.892 -1.650 -2.603 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.676 -0.799 -2.991 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.836 -1.808 -3.823 1.00 0.00 C ATOM 0 H LEU A 67 7.248 -2.410 0.575 1.00 0.00 H new ATOM 0 HA LEU A 67 9.065 -2.583 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.929 -0.695 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.085 -0.031 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 67 6.563 -2.640 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.142 -1.280 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.011 -0.702 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.009 0.190 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.300 -2.297 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.175 -0.825 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.698 -2.413 -3.540 1.00 0.00 H new ATOM 1097 N GLN A 68 9.916 -0.435 0.696 1.00 0.00 N ATOM 1098 CA GLN A 68 11.080 0.418 1.066 1.00 0.00 C ATOM 1099 C GLN A 68 12.337 -0.424 1.294 1.00 0.00 C ATOM 1100 O GLN A 68 13.410 -0.070 0.845 1.00 0.00 O ATOM 1101 CB GLN A 68 10.758 1.178 2.348 1.00 0.00 C ATOM 1102 CG GLN A 68 9.555 2.089 2.110 1.00 0.00 C ATOM 1103 CD GLN A 68 9.218 2.826 3.408 1.00 0.00 C ATOM 1104 OE1 GLN A 68 9.584 2.387 4.480 1.00 0.00 O ATOM 1105 NE2 GLN A 68 8.533 3.935 3.356 1.00 0.00 N ATOM 0 H GLN A 68 9.160 -0.479 1.379 1.00 0.00 H new ATOM 0 HA GLN A 68 11.269 1.109 0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.543 0.477 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.619 1.769 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.777 2.805 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.699 1.502 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.226 4.303 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.304 4.434 4.216 1.00 0.00 H new ATOM 1114 N LYS A 69 12.236 -1.515 1.994 1.00 0.00 N ATOM 1115 CA LYS A 69 13.457 -2.339 2.248 1.00 0.00 C ATOM 1116 C LYS A 69 13.819 -3.200 1.029 1.00 0.00 C ATOM 1117 O LYS A 69 14.801 -3.914 1.057 1.00 0.00 O ATOM 1118 CB LYS A 69 13.230 -3.240 3.469 1.00 0.00 C ATOM 1119 CG LYS A 69 12.102 -4.244 3.186 1.00 0.00 C ATOM 1120 CD LYS A 69 11.835 -5.107 4.436 1.00 0.00 C ATOM 1121 CE LYS A 69 10.849 -4.398 5.372 1.00 0.00 C ATOM 1122 NZ LYS A 69 10.752 -5.157 6.647 1.00 0.00 N ATOM 0 H LYS A 69 11.372 -1.874 2.400 1.00 0.00 H new ATOM 0 HA LYS A 69 14.287 -1.659 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.149 -3.774 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.976 -2.631 4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.194 -3.712 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.375 -4.882 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.432 -6.075 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.771 -5.299 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.183 -3.379 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.868 -4.328 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.084 -4.680 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.415 -6.122 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.689 -5.202 7.097 1.00 0.00 H new ATOM 1136 N ASP A 70 13.030 -3.177 -0.027 1.00 0.00 N ATOM 1137 CA ASP A 70 13.342 -4.048 -1.217 1.00 0.00 C ATOM 1138 C ASP A 70 13.822 -3.239 -2.423 1.00 0.00 C ATOM 1139 O ASP A 70 14.840 -3.544 -3.013 1.00 0.00 O ATOM 1140 CB ASP A 70 12.083 -4.812 -1.615 1.00 0.00 C ATOM 1141 CG ASP A 70 11.766 -5.857 -0.543 1.00 0.00 C ATOM 1142 OD1 ASP A 70 12.604 -6.064 0.320 1.00 0.00 O ATOM 1143 OD2 ASP A 70 10.693 -6.435 -0.604 1.00 0.00 O ATOM 0 H ASP A 70 12.193 -2.601 -0.117 1.00 0.00 H new ATOM 0 HA ASP A 70 14.145 -4.725 -0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.246 -4.123 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.228 -5.297 -2.580 1.00 0.00 H new ATOM 1148 N ILE A 71 13.090 -2.243 -2.829 1.00 0.00 N ATOM 1149 CA ILE A 71 13.499 -1.465 -4.032 1.00 0.00 C ATOM 1150 C ILE A 71 14.538 -0.412 -3.655 1.00 0.00 C ATOM 1151 O ILE A 71 14.239 0.627 -3.105 1.00 0.00 O ATOM 1152 CB ILE A 71 12.247 -0.809 -4.630 1.00 0.00 C ATOM 1153 CG1 ILE A 71 11.705 0.293 -3.676 1.00 0.00 C ATOM 1154 CG2 ILE A 71 11.183 -1.897 -4.807 1.00 0.00 C ATOM 1155 CD1 ILE A 71 12.132 1.700 -4.115 1.00 0.00 C ATOM 0 H ILE A 71 12.227 -1.933 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 71 13.954 -2.126 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 71 12.492 -0.347 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.617 0.239 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.065 0.105 -2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 71 10.280 -1.458 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 71 11.560 -2.669 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 71 10.950 -2.339 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.730 2.436 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.220 1.764 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.750 1.901 -5.116 1.00 0.00 H new ATOM 1167 N HIS A 72 15.775 -0.676 -3.942 1.00 0.00 N ATOM 1168 CA HIS A 72 16.831 0.311 -3.594 1.00 0.00 C ATOM 1169 C HIS A 72 18.054 0.100 -4.499 1.00 0.00 C ATOM 1170 O HIS A 72 19.134 0.580 -4.216 1.00 0.00 O ATOM 1171 CB HIS A 72 17.187 0.134 -2.108 1.00 0.00 C ATOM 1172 CG HIS A 72 18.252 -0.915 -1.939 1.00 0.00 C ATOM 1173 ND1 HIS A 72 19.620 -0.828 -1.929 1.00 0.00 N flip ATOM 1174 CD2 HIS A 72 17.953 -2.255 -1.763 1.00 0.00 C flip ATOM 1175 CE1 HIS A 72 20.170 -2.094 -1.749 1.00 0.00 C flip ATOM 1176 NE2 HIS A 72 19.120 -2.917 -1.656 1.00 0.00 N flip ATOM 0 H HIS A 72 16.103 -1.527 -4.400 1.00 0.00 H new ATOM 0 HA HIS A 72 16.478 1.330 -3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 72 17.534 1.082 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 72 16.297 -0.150 -1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 72 16.965 -2.689 -1.720 1.00 0.00 H new ATOM 0 HE1 HIS A 72 21.217 -2.355 -1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 72 19.195 -3.925 -1.520 1.00 0.00 H new ATOM 1184 N ASP A 73 17.896 -0.619 -5.577 1.00 0.00 N ATOM 1185 CA ASP A 73 19.052 -0.862 -6.487 1.00 0.00 C ATOM 1186 C ASP A 73 19.246 0.350 -7.403 1.00 0.00 C ATOM 1187 O ASP A 73 20.356 0.726 -7.726 1.00 0.00 O ATOM 1188 CB ASP A 73 18.779 -2.106 -7.336 1.00 0.00 C ATOM 1189 CG ASP A 73 20.033 -2.460 -8.139 1.00 0.00 C ATOM 1190 OD1 ASP A 73 20.993 -2.907 -7.533 1.00 0.00 O ATOM 1191 OD2 ASP A 73 20.011 -2.278 -9.345 1.00 0.00 O ATOM 0 H ASP A 73 17.017 -1.048 -5.867 1.00 0.00 H new ATOM 0 HA ASP A 73 19.954 -1.016 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.496 -2.942 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 73 17.942 -1.923 -8.010 1.00 0.00 H new TER 1196 ASP A 73