USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=29 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= -0.214 USER MOD Set 1.2: A 117 GLN : amide:sc= -2.59! K(o=-2.8!,f=-1.9) USER MOD Set 2.1: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 99 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0022) USER MOD Set 3.1: A 81 ASN : amide:sc= 1.19 K(o=1.6,f=-0.06) USER MOD Set 3.2: A 83 SER OG : rot 150:sc= 0.362 USER MOD Set 4.1: A 3 ASN : amide:sc= -2.23 K(o=-5.8,f=-3.5) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 4.3: A 63 ASN : amide:sc= -3.61 K(o=-5.8,f=-3.5) USER MOD Set 5.1: A 24 CYS SG : rot -70:sc= -2.09! USER MOD Set 5.2: A 27 GLN : amide:sc= -5.11 K(o=-7.2,f=-14!) USER MOD Set 6.1: A 21 MET CE :methyl -136:sc= -5.64! (180deg=-10.7!) USER MOD Set 6.2: A 28 CYS SG : rot 60:sc= -0.421 USER MOD Set 7.1: A 5 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0) USER MOD Set 7.2: A 46 GLN : amide:sc= -9.2! C(o=-8.2!,f=-25!) USER MOD Single : A 6 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-0.26) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.48! K(o=-4.5!,f=-2.1) USER MOD Single : A 15 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.211) USER MOD Single : A 18 CYS SG : rot -30:sc= -3.49! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.178 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -157:sc= -0.0403 (180deg=-0.722) USER MOD Single : A 55 SER OG : rot 20:sc= -0.402 USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= -0.184 (180deg=-0.732) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 148:sc= -3.87 (180deg=-8.76!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.34 K(o=-2.3,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 1.22 (180deg=0.632) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.52) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.73 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.257 USER MOD Single : A 93 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.4!) USER MOD Single : A 102 ASN : amide:sc= -6.48! C(o=-6.5!,f=-16!) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= 0.376 (180deg=-0.336!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.905) USER MOD Single : A 120 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.18) USER MOD Single : A 122 MET CE :methyl 136:sc= -7.54! (180deg=-12.4!) USER MOD Single : A 125 SER OG : rot 180:sc= -0.309 USER MOD Single : A 128 SER OG : rot -57:sc= 0.2 USER MOD Single : A 129 GLN : amide:sc= -5.28! C(o=-5.3!,f=-4.9!) 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= -0.988 K(o=-0.99,f=-1.7!) USER MOD Single : A 139 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.0055) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -18.181 -0.204 -5.538 1.00 0.00 N ATOM 21 CA GLU A 2 -17.700 -1.057 -6.619 1.00 0.00 C ATOM 22 C GLU A 2 -16.180 -1.176 -6.585 1.00 0.00 C ATOM 23 O GLU A 2 -15.620 -2.216 -6.931 1.00 0.00 O ATOM 24 CB GLU A 2 -18.149 -0.503 -7.972 1.00 0.00 C ATOM 25 CG GLU A 2 -19.519 -0.999 -8.408 1.00 0.00 C ATOM 26 CD GLU A 2 -19.487 -1.695 -9.755 1.00 0.00 C ATOM 27 OE1 GLU A 2 -19.152 -1.031 -10.759 1.00 0.00 O ATOM 28 OE2 GLU A 2 -19.797 -2.903 -9.807 1.00 0.00 O ATOM 0 HA GLU A 2 -18.127 -2.050 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -18.165 0.586 -7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.415 -0.777 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.908 -1.687 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -20.208 -0.156 -8.455 1.00 0.00 H new ATOM 35 N ASN A 3 -15.517 -0.103 -6.166 1.00 0.00 N ATOM 36 CA ASN A 3 -14.062 -0.084 -6.086 1.00 0.00 C ATOM 37 C ASN A 3 -13.580 -0.708 -4.782 1.00 0.00 C ATOM 38 O ASN A 3 -12.499 -1.295 -4.726 1.00 0.00 O ATOM 39 CB ASN A 3 -13.548 1.350 -6.179 1.00 0.00 C ATOM 40 CG ASN A 3 -14.109 2.099 -7.368 1.00 0.00 C ATOM 41 OD1 ASN A 3 -14.771 1.520 -8.229 1.00 0.00 O ATOM 42 ND2 ASN A 3 -13.842 3.398 -7.418 1.00 0.00 N ATOM 0 H ASN A 3 -15.966 0.766 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 3 -13.673 -0.667 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.807 1.884 -5.264 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.460 1.337 -6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.190 3.961 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -13.289 3.834 -6.680 1.00 0.00 H new ATOM 49 N LEU A 4 -14.387 -0.573 -3.735 1.00 0.00 N ATOM 50 CA LEU A 4 -14.041 -1.116 -2.429 1.00 0.00 C ATOM 51 C LEU A 4 -13.716 -2.599 -2.528 1.00 0.00 C ATOM 52 O LEU A 4 -12.691 -3.055 -2.028 1.00 0.00 O ATOM 53 CB LEU A 4 -15.191 -0.897 -1.442 1.00 0.00 C ATOM 54 CG LEU A 4 -15.115 0.405 -0.641 1.00 0.00 C ATOM 55 CD1 LEU A 4 -16.504 0.841 -0.202 1.00 0.00 C ATOM 56 CD2 LEU A 4 -14.199 0.236 0.563 1.00 0.00 C ATOM 0 H LEU A 4 -15.286 -0.092 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.156 -0.592 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -16.131 -0.913 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.216 -1.734 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.699 1.182 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.432 1.768 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.129 1.001 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.948 0.066 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.156 1.171 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.586 -0.554 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.198 -0.030 0.224 1.00 0.00 H new ATOM 68 N LYS A 5 -14.591 -3.346 -3.184 1.00 0.00 N ATOM 69 CA LYS A 5 -14.386 -4.780 -3.348 1.00 0.00 C ATOM 70 C LYS A 5 -13.110 -5.058 -4.135 1.00 0.00 C ATOM 71 O LYS A 5 -12.519 -6.131 -4.019 1.00 0.00 O ATOM 72 CB LYS A 5 -15.585 -5.422 -4.051 1.00 0.00 C ATOM 73 CG LYS A 5 -16.932 -4.946 -3.528 1.00 0.00 C ATOM 74 CD LYS A 5 -17.031 -5.098 -2.019 1.00 0.00 C ATOM 75 CE LYS A 5 -18.415 -5.559 -1.595 1.00 0.00 C ATOM 76 NZ LYS A 5 -18.370 -6.397 -0.366 1.00 0.00 N ATOM 0 H LYS A 5 -15.446 -2.987 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.286 -5.219 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.525 -5.209 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.524 -6.504 -3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.080 -3.901 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.730 -5.515 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.286 -5.816 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.801 -4.146 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -19.049 -4.690 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.872 -6.127 -2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.302 -6.829 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.657 -7.145 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.119 -5.803 0.450 1.00 0.00 H new ATOM 90 N HIS A 6 -12.681 -4.078 -4.923 1.00 0.00 N ATOM 91 CA HIS A 6 -11.465 -4.212 -5.711 1.00 0.00 C ATOM 92 C HIS A 6 -10.260 -3.808 -4.872 1.00 0.00 C ATOM 93 O HIS A 6 -9.153 -4.311 -5.063 1.00 0.00 O ATOM 94 CB HIS A 6 -11.543 -3.351 -6.974 1.00 0.00 C ATOM 95 CG HIS A 6 -11.069 -4.054 -8.208 1.00 0.00 C ATOM 96 ND1 HIS A 6 -11.543 -5.288 -8.599 1.00 0.00 N ATOM 97 CD2 HIS A 6 -10.156 -3.691 -9.140 1.00 0.00 C ATOM 98 CE1 HIS A 6 -10.941 -5.653 -9.718 1.00 0.00 C ATOM 99 NE2 HIS A 6 -10.096 -4.702 -10.067 1.00 0.00 N ATOM 0 H HIS A 6 -13.158 -3.183 -5.032 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.357 -5.254 -6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -12.574 -3.030 -7.122 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.947 -2.450 -6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.582 -2.776 -9.152 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.112 -6.574 -10.256 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.496 -4.716 -10.892 1.00 0.00 H new ATOM 108 N ILE A 7 -10.496 -2.899 -3.932 1.00 0.00 N ATOM 109 CA ILE A 7 -9.450 -2.420 -3.043 1.00 0.00 C ATOM 110 C ILE A 7 -9.242 -3.392 -1.888 1.00 0.00 C ATOM 111 O ILE A 7 -8.110 -3.733 -1.550 1.00 0.00 O ATOM 112 CB ILE A 7 -9.797 -1.023 -2.493 1.00 0.00 C ATOM 113 CG1 ILE A 7 -9.613 0.020 -3.595 1.00 0.00 C ATOM 114 CG2 ILE A 7 -8.935 -0.672 -1.281 1.00 0.00 C ATOM 115 CD1 ILE A 7 -10.877 0.759 -3.976 1.00 0.00 C ATOM 0 H ILE A 7 -11.410 -2.478 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.527 -2.351 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.837 -1.029 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.867 0.745 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.214 -0.473 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.205 0.319 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.101 -1.405 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.883 -0.679 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.654 1.479 -4.764 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.621 0.047 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.268 1.284 -3.105 1.00 0.00 H new ATOM 127 N ILE A 8 -10.340 -3.834 -1.287 1.00 0.00 N ATOM 128 CA ILE A 8 -10.273 -4.767 -0.174 1.00 0.00 C ATOM 129 C ILE A 8 -9.652 -6.076 -0.624 1.00 0.00 C ATOM 130 O ILE A 8 -8.727 -6.592 0.003 1.00 0.00 O ATOM 131 CB ILE A 8 -11.670 -5.057 0.394 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.375 -3.754 0.774 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.581 -5.990 1.592 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.871 -3.906 0.941 1.00 0.00 C ATOM 0 H ILE A 8 -11.286 -3.560 -1.553 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.661 -4.308 0.602 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.258 -5.553 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.950 -3.377 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.177 -3.005 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.582 -6.182 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.123 -6.931 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.974 -5.526 2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.307 -2.944 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.308 -4.253 0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.077 -4.631 1.728 1.00 0.00 H new ATOM 146 N THR A 9 -10.168 -6.601 -1.726 1.00 0.00 N ATOM 147 CA THR A 9 -9.664 -7.850 -2.279 1.00 0.00 C ATOM 148 C THR A 9 -8.187 -7.701 -2.617 1.00 0.00 C ATOM 149 O THR A 9 -7.367 -8.544 -2.253 1.00 0.00 O ATOM 150 CB THR A 9 -10.464 -8.252 -3.522 1.00 0.00 C ATOM 151 OG1 THR A 9 -10.323 -9.637 -3.782 1.00 0.00 O ATOM 152 CG2 THR A 9 -10.048 -7.508 -4.772 1.00 0.00 C ATOM 0 H THR A 9 -10.934 -6.183 -2.254 1.00 0.00 H new ATOM 0 HA THR A 9 -9.780 -8.639 -1.536 1.00 0.00 H new ATOM 0 HB THR A 9 -11.498 -7.994 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.842 -9.875 -4.578 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.655 -7.842 -5.613 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.192 -6.438 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.997 -7.707 -4.981 1.00 0.00 H new ATOM 160 N LEU A 10 -7.853 -6.608 -3.297 1.00 0.00 N ATOM 161 CA LEU A 10 -6.474 -6.341 -3.655 1.00 0.00 C ATOM 162 C LEU A 10 -5.668 -6.068 -2.402 1.00 0.00 C ATOM 163 O LEU A 10 -4.484 -6.395 -2.328 1.00 0.00 O ATOM 164 CB LEU A 10 -6.364 -5.162 -4.622 1.00 0.00 C ATOM 165 CG LEU A 10 -4.952 -4.902 -5.159 1.00 0.00 C ATOM 166 CD1 LEU A 10 -4.213 -6.213 -5.399 1.00 0.00 C ATOM 167 CD2 LEU A 10 -5.013 -4.080 -6.438 1.00 0.00 C ATOM 0 H LEU A 10 -8.518 -5.900 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.076 -7.220 -4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.032 -5.338 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.717 -4.262 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.400 -4.335 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.214 -6.003 -5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.136 -6.764 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.760 -6.811 -6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.002 -3.904 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.585 -4.622 -7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.496 -3.124 -6.234 1.00 0.00 H new ATOM 179 N GLY A 11 -6.327 -5.501 -1.393 1.00 0.00 N ATOM 180 CA GLY A 11 -5.646 -5.244 -0.149 1.00 0.00 C ATOM 181 C GLY A 11 -5.207 -6.546 0.480 1.00 0.00 C ATOM 182 O GLY A 11 -4.207 -6.599 1.194 1.00 0.00 O ATOM 0 H GLY A 11 -7.307 -5.221 -1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.780 -4.605 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.306 -4.706 0.532 1.00 0.00 H new ATOM 186 N GLN A 12 -5.957 -7.609 0.182 1.00 0.00 N ATOM 187 CA GLN A 12 -5.646 -8.936 0.693 1.00 0.00 C ATOM 188 C GLN A 12 -4.530 -9.562 -0.126 1.00 0.00 C ATOM 189 O GLN A 12 -3.646 -10.226 0.416 1.00 0.00 O ATOM 190 CB GLN A 12 -6.887 -9.829 0.648 1.00 0.00 C ATOM 191 CG GLN A 12 -7.980 -9.400 1.609 1.00 0.00 C ATOM 192 CD GLN A 12 -7.483 -9.273 3.034 1.00 0.00 C ATOM 193 OE1 GLN A 12 -6.636 -10.047 3.481 1.00 0.00 O ATOM 194 NE2 GLN A 12 -8.008 -8.292 3.753 1.00 0.00 N ATOM 0 H GLN A 12 -6.785 -7.571 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.319 -8.841 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.287 -9.830 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.595 -10.854 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.390 -8.444 1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.794 -10.124 1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.707 -7.675 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.713 -8.154 4.720 1.00 0.00 H new ATOM 203 N VAL A 13 -4.564 -9.332 -1.433 1.00 0.00 N ATOM 204 CA VAL A 13 -3.540 -9.859 -2.317 1.00 0.00 C ATOM 205 C VAL A 13 -2.230 -9.161 -2.034 1.00 0.00 C ATOM 206 O VAL A 13 -1.250 -9.787 -1.643 1.00 0.00 O ATOM 207 CB VAL A 13 -3.923 -9.668 -3.789 1.00 0.00 C ATOM 208 CG1 VAL A 13 -2.727 -9.902 -4.701 1.00 0.00 C ATOM 209 CG2 VAL A 13 -5.070 -10.592 -4.147 1.00 0.00 C ATOM 0 H VAL A 13 -5.288 -8.786 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.441 -10.929 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.247 -8.637 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.028 -9.760 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.936 -9.195 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.360 -10.919 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.337 -10.451 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.768 -11.627 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.931 -10.363 -3.519 1.00 0.00 H new ATOM 219 N ILE A 14 -2.231 -7.844 -2.199 1.00 0.00 N ATOM 220 CA ILE A 14 -1.052 -7.042 -1.920 1.00 0.00 C ATOM 221 C ILE A 14 -0.444 -7.479 -0.589 1.00 0.00 C ATOM 222 O ILE A 14 0.767 -7.416 -0.389 1.00 0.00 O ATOM 223 CB ILE A 14 -1.417 -5.539 -1.868 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.870 -4.807 -3.091 1.00 0.00 C ATOM 225 CG2 ILE A 14 -0.916 -4.884 -0.588 1.00 0.00 C ATOM 226 CD1 ILE A 14 -1.631 -3.544 -3.404 1.00 0.00 C ATOM 0 H ILE A 14 -3.037 -7.311 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.325 -7.191 -2.718 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.505 -5.466 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.179 -4.562 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.908 -5.472 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.191 -3.829 -0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.367 -5.377 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.169 -4.976 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.198 -3.066 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.675 -3.788 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.572 -2.863 -2.555 1.00 0.00 H new ATOM 238 N HIS A 15 -1.315 -7.931 0.313 1.00 0.00 N ATOM 239 CA HIS A 15 -0.896 -8.391 1.623 1.00 0.00 C ATOM 240 C HIS A 15 -0.437 -9.850 1.567 1.00 0.00 C ATOM 241 O HIS A 15 0.525 -10.229 2.235 1.00 0.00 O ATOM 242 CB HIS A 15 -2.050 -8.211 2.615 1.00 0.00 C ATOM 243 CG HIS A 15 -2.202 -9.321 3.602 1.00 0.00 C ATOM 244 ND1 HIS A 15 -3.194 -10.267 3.505 1.00 0.00 N ATOM 245 CD2 HIS A 15 -1.488 -9.635 4.708 1.00 0.00 C ATOM 246 CE1 HIS A 15 -3.090 -11.115 4.504 1.00 0.00 C ATOM 247 NE2 HIS A 15 -2.062 -10.757 5.252 1.00 0.00 N ATOM 0 H HIS A 15 -2.321 -7.986 0.152 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.046 -7.797 1.958 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.902 -7.278 3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.980 -8.110 2.055 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.629 -9.103 5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.736 -11.962 4.683 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.746 -11.236 6.096 1.00 0.00 H new ATOM 256 N LYS A 16 -1.123 -10.668 0.767 1.00 0.00 N ATOM 257 CA LYS A 16 -0.759 -12.075 0.642 1.00 0.00 C ATOM 258 C LYS A 16 0.498 -12.228 -0.211 1.00 0.00 C ATOM 259 O LYS A 16 1.387 -13.016 0.112 1.00 0.00 O ATOM 260 CB LYS A 16 -1.922 -12.887 0.055 1.00 0.00 C ATOM 261 CG LYS A 16 -1.992 -12.883 -1.465 1.00 0.00 C ATOM 262 CD LYS A 16 -3.357 -13.334 -1.955 1.00 0.00 C ATOM 263 CE LYS A 16 -3.405 -14.837 -2.169 1.00 0.00 C ATOM 264 NZ LYS A 16 -3.795 -15.563 -0.929 1.00 0.00 N ATOM 0 H LYS A 16 -1.924 -10.383 0.203 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.545 -12.465 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.839 -13.918 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.859 -12.494 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.782 -11.881 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.223 -13.541 -1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.118 -13.044 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.596 -12.825 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.115 -15.068 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.428 -15.187 -2.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.127 -16.517 -1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.973 -15.635 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.558 -15.044 -0.448 1.00 0.00 H new ATOM 278 N ARG A 17 0.571 -11.456 -1.290 1.00 0.00 N ATOM 279 CA ARG A 17 1.723 -11.491 -2.180 1.00 0.00 C ATOM 280 C ARG A 17 2.960 -10.974 -1.455 1.00 0.00 C ATOM 281 O ARG A 17 4.060 -11.497 -1.629 1.00 0.00 O ATOM 282 CB ARG A 17 1.459 -10.653 -3.432 1.00 0.00 C ATOM 283 CG ARG A 17 0.722 -11.409 -4.526 1.00 0.00 C ATOM 284 CD ARG A 17 1.149 -10.945 -5.909 1.00 0.00 C ATOM 285 NE ARG A 17 0.770 -11.900 -6.948 1.00 0.00 N ATOM 286 CZ ARG A 17 1.440 -13.020 -7.207 1.00 0.00 C ATOM 287 NH1 ARG A 17 2.524 -13.330 -6.506 1.00 0.00 N ATOM 288 NH2 ARG A 17 1.026 -13.834 -8.168 1.00 0.00 N ATOM 0 H ARG A 17 -0.156 -10.797 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 17 1.895 -12.523 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.878 -9.774 -3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.410 -10.295 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.914 -12.477 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.352 -11.266 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.695 -9.977 -6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.229 -10.801 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.058 -11.696 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.847 -12.708 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.034 -14.190 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.193 -13.602 -8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.540 -14.692 -8.366 1.00 0.00 H new ATOM 302 N CYS A 18 2.766 -9.948 -0.629 1.00 0.00 N ATOM 303 CA CYS A 18 3.864 -9.371 0.135 1.00 0.00 C ATOM 304 C CYS A 18 4.274 -10.317 1.256 1.00 0.00 C ATOM 305 O CYS A 18 5.454 -10.454 1.571 1.00 0.00 O ATOM 306 CB CYS A 18 3.467 -8.004 0.706 1.00 0.00 C ATOM 307 SG CYS A 18 2.472 -8.074 2.215 1.00 0.00 S ATOM 0 H CYS A 18 1.862 -9.502 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 18 4.714 -9.227 -0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.373 -7.434 0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.911 -7.456 -0.054 1.00 0.00 H new ATOM 0 HG CYS A 18 1.753 -9.157 2.211 1.00 0.00 H new ATOM 313 N GLU A 19 3.286 -10.979 1.847 1.00 0.00 N ATOM 314 CA GLU A 19 3.547 -11.925 2.920 1.00 0.00 C ATOM 315 C GLU A 19 4.408 -13.069 2.399 1.00 0.00 C ATOM 316 O GLU A 19 5.206 -13.647 3.136 1.00 0.00 O ATOM 317 CB GLU A 19 2.233 -12.468 3.486 1.00 0.00 C ATOM 318 CG GLU A 19 1.730 -11.699 4.697 1.00 0.00 C ATOM 319 CD GLU A 19 0.975 -12.580 5.674 1.00 0.00 C ATOM 320 OE1 GLU A 19 1.187 -13.810 5.652 1.00 0.00 O ATOM 321 OE2 GLU A 19 0.173 -12.037 6.464 1.00 0.00 O ATOM 0 H GLU A 19 2.301 -10.877 1.601 1.00 0.00 H new ATOM 0 HA GLU A 19 4.080 -11.412 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.472 -12.440 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.370 -13.514 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.576 -11.238 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.079 -10.890 4.365 1.00 0.00 H new ATOM 328 N GLU A 20 4.238 -13.384 1.118 1.00 0.00 N ATOM 329 CA GLU A 20 5.002 -14.459 0.489 1.00 0.00 C ATOM 330 C GLU A 20 6.294 -13.935 -0.148 1.00 0.00 C ATOM 331 O GLU A 20 7.140 -14.719 -0.576 1.00 0.00 O ATOM 332 CB GLU A 20 4.153 -15.165 -0.570 1.00 0.00 C ATOM 333 CG GLU A 20 3.686 -14.248 -1.687 1.00 0.00 C ATOM 334 CD GLU A 20 2.856 -14.973 -2.728 1.00 0.00 C ATOM 335 OE1 GLU A 20 1.658 -15.216 -2.469 1.00 0.00 O ATOM 336 OE2 GLU A 20 3.404 -15.299 -3.802 1.00 0.00 O ATOM 0 H GLU A 20 3.581 -12.913 0.496 1.00 0.00 H new ATOM 0 HA GLU A 20 5.273 -15.169 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.731 -15.983 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.282 -15.609 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.099 -13.434 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.554 -13.797 -2.169 1.00 0.00 H new ATOM 343 N MET A 21 6.445 -12.611 -0.208 1.00 0.00 N ATOM 344 CA MET A 21 7.641 -12.003 -0.795 1.00 0.00 C ATOM 345 C MET A 21 8.907 -12.534 -0.135 1.00 0.00 C ATOM 346 O MET A 21 9.018 -12.562 1.091 1.00 0.00 O ATOM 347 CB MET A 21 7.591 -10.478 -0.667 1.00 0.00 C ATOM 348 CG MET A 21 7.035 -9.782 -1.898 1.00 0.00 C ATOM 349 SD MET A 21 8.084 -9.998 -3.347 1.00 0.00 S ATOM 350 CE MET A 21 8.380 -8.296 -3.817 1.00 0.00 C ATOM 0 H MET A 21 5.758 -11.942 0.140 1.00 0.00 H new ATOM 0 HA MET A 21 7.662 -12.270 -1.852 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.980 -10.214 0.196 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.596 -10.105 -0.472 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.040 -10.171 -2.113 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.923 -8.718 -1.690 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.275 -8.193 -4.897 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.657 -7.650 -3.319 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.388 -8.007 -3.521 1.00 0.00 H new ATOM 360 N LYS A 22 9.860 -12.950 -0.960 1.00 0.00 N ATOM 361 CA LYS A 22 11.123 -13.477 -0.464 1.00 0.00 C ATOM 362 C LYS A 22 12.224 -12.419 -0.533 1.00 0.00 C ATOM 363 O LYS A 22 13.310 -12.608 0.013 1.00 0.00 O ATOM 364 CB LYS A 22 11.535 -14.713 -1.270 1.00 0.00 C ATOM 365 CG LYS A 22 11.211 -16.026 -0.574 1.00 0.00 C ATOM 366 CD LYS A 22 12.418 -16.951 -0.538 1.00 0.00 C ATOM 367 CE LYS A 22 13.267 -16.710 0.699 1.00 0.00 C ATOM 368 NZ LYS A 22 14.607 -17.349 0.586 1.00 0.00 N ATOM 0 H LYS A 22 9.781 -12.932 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 22 10.984 -13.760 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.033 -14.690 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.606 -14.669 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.874 -15.826 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.388 -16.520 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.084 -17.988 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.023 -16.797 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.388 -15.638 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.751 -17.102 1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.155 -17.161 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.493 -18.376 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.110 -16.957 -0.235 1.00 0.00 H new ATOM 382 N TYR A 23 11.940 -11.306 -1.207 1.00 0.00 N ATOM 383 CA TYR A 23 12.915 -10.229 -1.337 1.00 0.00 C ATOM 384 C TYR A 23 12.365 -8.922 -0.778 1.00 0.00 C ATOM 385 O TYR A 23 11.177 -8.629 -0.917 1.00 0.00 O ATOM 386 CB TYR A 23 13.312 -10.047 -2.801 1.00 0.00 C ATOM 387 CG TYR A 23 14.311 -11.071 -3.288 1.00 0.00 C ATOM 388 CD1 TYR A 23 13.996 -12.424 -3.302 1.00 0.00 C ATOM 389 CD2 TYR A 23 15.570 -10.685 -3.731 1.00 0.00 C ATOM 390 CE1 TYR A 23 14.906 -13.363 -3.745 1.00 0.00 C ATOM 391 CE2 TYR A 23 16.486 -11.620 -4.174 1.00 0.00 C ATOM 392 CZ TYR A 23 16.150 -12.957 -4.179 1.00 0.00 C ATOM 393 OH TYR A 23 17.059 -13.890 -4.620 1.00 0.00 O ATOM 0 H TYR A 23 11.048 -11.128 -1.668 1.00 0.00 H new ATOM 0 HA TYR A 23 13.798 -10.503 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.417 -10.101 -3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.732 -9.050 -2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.023 -12.747 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 23 15.837 -9.638 -3.729 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.645 -14.411 -3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 23 17.461 -11.305 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 23 16.582 -14.652 -5.010 1.00 0.00 H new ATOM 403 N CYS A 24 13.239 -8.140 -0.147 1.00 0.00 N ATOM 404 CA CYS A 24 12.853 -6.859 0.439 1.00 0.00 C ATOM 405 C CYS A 24 11.515 -6.968 1.167 1.00 0.00 C ATOM 406 O CYS A 24 10.657 -6.093 1.050 1.00 0.00 O ATOM 407 CB CYS A 24 12.778 -5.785 -0.646 1.00 0.00 C ATOM 408 SG CYS A 24 14.372 -5.400 -1.409 1.00 0.00 S ATOM 0 H CYS A 24 14.225 -8.374 -0.028 1.00 0.00 H new ATOM 0 HA CYS A 24 13.613 -6.577 1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 24 12.085 -6.113 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 24 12.364 -4.874 -0.214 1.00 0.00 H new ATOM 0 HG CYS A 24 15.123 -4.774 -0.552 1.00 0.00 H new ATOM 414 N LYS A 25 11.345 -8.056 1.914 1.00 0.00 N ATOM 415 CA LYS A 25 10.112 -8.292 2.657 1.00 0.00 C ATOM 416 C LYS A 25 9.765 -7.103 3.543 1.00 0.00 C ATOM 417 O LYS A 25 8.606 -6.709 3.636 1.00 0.00 O ATOM 418 CB LYS A 25 10.234 -9.552 3.513 1.00 0.00 C ATOM 419 CG LYS A 25 10.799 -10.749 2.766 1.00 0.00 C ATOM 420 CD LYS A 25 10.628 -12.032 3.563 1.00 0.00 C ATOM 421 CE LYS A 25 11.842 -12.937 3.428 1.00 0.00 C ATOM 422 NZ LYS A 25 11.520 -14.351 3.769 1.00 0.00 N ATOM 0 H LYS A 25 12.047 -8.788 2.020 1.00 0.00 H new ATOM 0 HA LYS A 25 9.311 -8.428 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.871 -9.337 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.250 -9.811 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.298 -10.848 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.857 -10.585 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.468 -11.790 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.739 -12.560 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.221 -12.887 2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.637 -12.578 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.373 -14.936 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.182 -14.403 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.779 -14.702 3.129 1.00 0.00 H new ATOM 436 N LYS A 26 10.775 -6.532 4.195 1.00 0.00 N ATOM 437 CA LYS A 26 10.566 -5.385 5.075 1.00 0.00 C ATOM 438 C LYS A 26 9.615 -4.376 4.438 1.00 0.00 C ATOM 439 O LYS A 26 8.612 -3.983 5.038 1.00 0.00 O ATOM 440 CB LYS A 26 11.901 -4.708 5.394 1.00 0.00 C ATOM 441 CG LYS A 26 12.917 -5.637 6.040 1.00 0.00 C ATOM 442 CD LYS A 26 14.196 -4.898 6.403 1.00 0.00 C ATOM 443 CE LYS A 26 15.308 -5.187 5.407 1.00 0.00 C ATOM 444 NZ LYS A 26 16.158 -6.330 5.841 1.00 0.00 N ATOM 0 H LYS A 26 11.744 -6.844 4.131 1.00 0.00 H new ATOM 0 HA LYS A 26 10.119 -5.748 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.323 -4.305 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.720 -3.863 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.486 -6.082 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.149 -6.455 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.002 -3.826 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.516 -5.192 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.874 -5.407 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.928 -4.299 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.904 -6.495 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.593 -6.110 6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.572 -7.184 5.931 1.00 0.00 H new ATOM 458 N GLN A 27 9.930 -3.973 3.213 1.00 0.00 N ATOM 459 CA GLN A 27 9.106 -3.022 2.487 1.00 0.00 C ATOM 460 C GLN A 27 7.826 -3.683 1.989 1.00 0.00 C ATOM 461 O GLN A 27 6.725 -3.186 2.223 1.00 0.00 O ATOM 462 CB GLN A 27 9.887 -2.443 1.306 1.00 0.00 C ATOM 463 CG GLN A 27 11.269 -1.932 1.684 1.00 0.00 C ATOM 464 CD GLN A 27 12.372 -2.901 1.311 1.00 0.00 C ATOM 465 OE1 GLN A 27 12.454 -4.004 1.851 1.00 0.00 O ATOM 466 NE2 GLN A 27 13.231 -2.492 0.384 1.00 0.00 N ATOM 0 H GLN A 27 10.753 -4.293 2.703 1.00 0.00 H new ATOM 0 HA GLN A 27 8.835 -2.215 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.989 -3.209 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.314 -1.626 0.867 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.447 -0.977 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.302 -1.746 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.125 -1.569 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.996 -3.101 0.094 1.00 0.00 H new ATOM 475 N CYS A 28 7.977 -4.809 1.301 1.00 0.00 N ATOM 476 CA CYS A 28 6.831 -5.534 0.765 1.00 0.00 C ATOM 477 C CYS A 28 5.811 -5.843 1.857 1.00 0.00 C ATOM 478 O CYS A 28 4.661 -5.411 1.783 1.00 0.00 O ATOM 479 CB CYS A 28 7.290 -6.835 0.102 1.00 0.00 C ATOM 480 SG CYS A 28 8.671 -6.632 -1.048 1.00 0.00 S ATOM 0 H CYS A 28 8.880 -5.239 1.101 1.00 0.00 H new ATOM 0 HA CYS A 28 6.353 -4.898 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.579 -7.543 0.878 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.448 -7.274 -0.433 1.00 0.00 H new ATOM 0 HG CYS A 28 9.695 -6.142 -0.414 1.00 0.00 H new ATOM 486 N ARG A 29 6.237 -6.600 2.864 1.00 0.00 N ATOM 487 CA ARG A 29 5.365 -6.980 3.968 1.00 0.00 C ATOM 488 C ARG A 29 4.536 -5.803 4.473 1.00 0.00 C ATOM 489 O ARG A 29 3.307 -5.864 4.495 1.00 0.00 O ATOM 490 CB ARG A 29 6.189 -7.558 5.115 1.00 0.00 C ATOM 491 CG ARG A 29 5.516 -8.733 5.789 1.00 0.00 C ATOM 492 CD ARG A 29 6.117 -9.019 7.156 1.00 0.00 C ATOM 493 NE ARG A 29 5.094 -9.354 8.144 1.00 0.00 N ATOM 494 CZ ARG A 29 5.305 -9.353 9.458 1.00 0.00 C ATOM 495 NH1 ARG A 29 6.498 -9.038 9.946 1.00 0.00 N ATOM 496 NH2 ARG A 29 4.318 -9.667 10.287 1.00 0.00 N ATOM 0 H ARG A 29 7.187 -6.964 2.937 1.00 0.00 H new ATOM 0 HA ARG A 29 4.676 -7.736 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.161 -7.872 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.372 -6.778 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.450 -8.530 5.896 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.610 -9.617 5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.826 -9.843 7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.677 -8.148 7.495 1.00 0.00 H new ATOM 0 HE ARG A 29 4.164 -9.603 7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.260 -8.795 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.653 -9.039 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.399 -9.909 9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.478 -9.667 11.294 1.00 0.00 H new ATOM 510 N ARG A 30 5.212 -4.737 4.887 1.00 0.00 N ATOM 511 CA ARG A 30 4.524 -3.558 5.398 1.00 0.00 C ATOM 512 C ARG A 30 3.488 -3.049 4.405 1.00 0.00 C ATOM 513 O ARG A 30 2.329 -2.849 4.756 1.00 0.00 O ATOM 514 CB ARG A 30 5.522 -2.444 5.710 1.00 0.00 C ATOM 515 CG ARG A 30 5.849 -2.314 7.189 1.00 0.00 C ATOM 516 CD ARG A 30 6.742 -3.449 7.665 1.00 0.00 C ATOM 517 NE ARG A 30 7.696 -3.005 8.679 1.00 0.00 N ATOM 518 CZ ARG A 30 8.808 -3.667 8.992 1.00 0.00 C ATOM 519 NH1 ARG A 30 9.108 -4.804 8.375 1.00 0.00 N ATOM 520 NH2 ARG A 30 9.622 -3.192 9.924 1.00 0.00 N ATOM 0 H ARG A 30 6.229 -4.665 4.879 1.00 0.00 H new ATOM 0 HA ARG A 30 4.013 -3.850 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.444 -2.629 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.120 -1.497 5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.344 -1.360 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.925 -2.309 7.768 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.125 -4.249 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.283 -3.866 6.815 1.00 0.00 H new ATOM 0 HE ARG A 30 7.498 -2.137 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.485 -5.174 7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.961 -5.307 8.619 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.397 -2.319 10.401 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.474 -3.699 10.164 1.00 0.00 H new ATOM 534 N LEU A 31 3.915 -2.836 3.164 1.00 0.00 N ATOM 535 CA LEU A 31 3.019 -2.335 2.122 1.00 0.00 C ATOM 536 C LEU A 31 1.667 -3.037 2.174 1.00 0.00 C ATOM 537 O LEU A 31 0.625 -2.414 1.974 1.00 0.00 O ATOM 538 CB LEU A 31 3.648 -2.510 0.737 1.00 0.00 C ATOM 539 CG LEU A 31 2.735 -2.174 -0.452 1.00 0.00 C ATOM 540 CD1 LEU A 31 1.952 -0.888 -0.204 1.00 0.00 C ATOM 541 CD2 LEU A 31 3.556 -2.062 -1.731 1.00 0.00 C ATOM 0 H LEU A 31 4.873 -3.001 2.854 1.00 0.00 H new ATOM 0 HA LEU A 31 2.861 -1.272 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.537 -1.882 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.981 -3.543 0.636 1.00 0.00 H new ATOM 0 HG LEU A 31 2.015 -2.984 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.316 -0.678 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.333 -1.005 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.647 -0.061 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.898 -1.824 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.299 -1.273 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.059 -3.009 -1.925 1.00 0.00 H new ATOM 553 N GLY A 32 1.690 -4.330 2.462 1.00 0.00 N ATOM 554 CA GLY A 32 0.458 -5.083 2.554 1.00 0.00 C ATOM 555 C GLY A 32 -0.242 -4.852 3.874 1.00 0.00 C ATOM 556 O GLY A 32 -1.456 -4.655 3.918 1.00 0.00 O ATOM 0 H GLY A 32 2.538 -4.870 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.204 -4.798 1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.671 -6.145 2.436 1.00 0.00 H new ATOM 560 N HIS A 33 0.531 -4.864 4.954 1.00 0.00 N ATOM 561 CA HIS A 33 -0.020 -4.642 6.283 1.00 0.00 C ATOM 562 C HIS A 33 -0.590 -3.231 6.386 1.00 0.00 C ATOM 563 O HIS A 33 -1.662 -3.025 6.956 1.00 0.00 O ATOM 564 CB HIS A 33 1.052 -4.863 7.354 1.00 0.00 C ATOM 565 CG HIS A 33 0.686 -5.909 8.361 1.00 0.00 C ATOM 566 ND1 HIS A 33 -0.112 -5.653 9.456 1.00 0.00 N ATOM 567 CD2 HIS A 33 1.011 -7.221 8.433 1.00 0.00 C ATOM 568 CE1 HIS A 33 -0.260 -6.762 10.160 1.00 0.00 C ATOM 569 NE2 HIS A 33 0.411 -7.728 9.560 1.00 0.00 N ATOM 0 H HIS A 33 1.538 -5.025 4.934 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.824 -5.359 6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.985 -5.149 6.869 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.237 -3.921 7.871 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.627 -7.767 7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.832 -6.861 11.071 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.474 -8.694 9.881 1.00 0.00 H new ATOM 578 N ARG A 34 0.120 -2.263 5.809 1.00 0.00 N ATOM 579 CA ARG A 34 -0.338 -0.882 5.818 1.00 0.00 C ATOM 580 C ARG A 34 -1.593 -0.776 4.970 1.00 0.00 C ATOM 581 O ARG A 34 -2.592 -0.178 5.377 1.00 0.00 O ATOM 582 CB ARG A 34 0.745 0.055 5.275 1.00 0.00 C ATOM 583 CG ARG A 34 2.096 -0.097 5.961 1.00 0.00 C ATOM 584 CD ARG A 34 1.973 -0.016 7.473 1.00 0.00 C ATOM 585 NE ARG A 34 3.229 0.386 8.102 1.00 0.00 N ATOM 586 CZ ARG A 34 3.490 0.238 9.399 1.00 0.00 C ATOM 587 NH1 ARG A 34 2.584 -0.298 10.208 1.00 0.00 N ATOM 588 NH2 ARG A 34 4.660 0.626 9.888 1.00 0.00 N ATOM 0 H ARG A 34 1.010 -2.412 5.333 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.556 -0.584 6.843 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.868 -0.129 4.208 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.407 1.086 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.539 -1.053 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.772 0.682 5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.191 0.697 7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.665 -0.986 7.864 1.00 0.00 H new ATOM 0 HE ARG A 34 3.948 0.805 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.683 -0.599 9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.789 -0.409 11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.360 1.038 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.860 0.513 10.882 1.00 0.00 H new ATOM 602 N VAL A 35 -1.540 -1.391 3.792 1.00 0.00 N ATOM 603 CA VAL A 35 -2.677 -1.402 2.885 1.00 0.00 C ATOM 604 C VAL A 35 -3.890 -2.008 3.582 1.00 0.00 C ATOM 605 O VAL A 35 -4.977 -1.432 3.575 1.00 0.00 O ATOM 606 CB VAL A 35 -2.361 -2.198 1.598 1.00 0.00 C ATOM 607 CG1 VAL A 35 -3.637 -2.642 0.893 1.00 0.00 C ATOM 608 CG2 VAL A 35 -1.496 -1.370 0.661 1.00 0.00 C ATOM 0 H VAL A 35 -0.720 -1.888 3.445 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.894 -0.372 2.602 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.810 -3.093 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.380 -3.199 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.218 -3.279 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.227 -1.766 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.283 -1.945 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.024 -0.455 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.560 -1.116 1.159 1.00 0.00 H new ATOM 618 N LEU A 36 -3.688 -3.173 4.197 1.00 0.00 N ATOM 619 CA LEU A 36 -4.763 -3.850 4.916 1.00 0.00 C ATOM 620 C LEU A 36 -5.427 -2.894 5.900 1.00 0.00 C ATOM 621 O LEU A 36 -6.650 -2.853 6.013 1.00 0.00 O ATOM 622 CB LEU A 36 -4.225 -5.075 5.670 1.00 0.00 C ATOM 623 CG LEU A 36 -3.965 -6.324 4.818 1.00 0.00 C ATOM 624 CD1 LEU A 36 -3.894 -7.563 5.698 1.00 0.00 C ATOM 625 CD2 LEU A 36 -5.042 -6.495 3.762 1.00 0.00 C ATOM 0 H LEU A 36 -2.794 -3.664 4.211 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.501 -4.183 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.294 -4.794 6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.935 -5.335 6.455 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.007 -6.194 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.709 -8.440 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.084 -7.451 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.838 -7.687 6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.834 -7.387 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.013 -6.598 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.053 -5.622 3.109 1.00 0.00 H new ATOM 637 N GLY A 37 -4.605 -2.121 6.604 1.00 0.00 N ATOM 638 CA GLY A 37 -5.124 -1.167 7.567 1.00 0.00 C ATOM 639 C GLY A 37 -6.053 -0.153 6.929 1.00 0.00 C ATOM 640 O GLY A 37 -6.958 0.368 7.581 1.00 0.00 O ATOM 0 H GLY A 37 -3.588 -2.139 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.658 -1.701 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.293 -0.646 8.043 1.00 0.00 H new ATOM 644 N LEU A 38 -5.833 0.119 5.648 1.00 0.00 N ATOM 645 CA LEU A 38 -6.662 1.068 4.913 1.00 0.00 C ATOM 646 C LEU A 38 -7.998 0.433 4.560 1.00 0.00 C ATOM 647 O LEU A 38 -9.032 1.099 4.538 1.00 0.00 O ATOM 648 CB LEU A 38 -5.948 1.527 3.641 1.00 0.00 C ATOM 649 CG LEU A 38 -4.511 2.014 3.841 1.00 0.00 C ATOM 650 CD1 LEU A 38 -3.944 2.537 2.533 1.00 0.00 C ATOM 651 CD2 LEU A 38 -4.452 3.088 4.919 1.00 0.00 C ATOM 0 H LEU A 38 -5.087 -0.304 5.096 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.839 1.937 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.939 0.701 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.528 2.331 3.188 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.903 1.170 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.921 2.880 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.949 1.740 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.554 3.367 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.422 3.420 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.073 3.934 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.819 2.679 5.860 1.00 0.00 H new ATOM 663 N ILE A 39 -7.963 -0.865 4.295 1.00 0.00 N ATOM 664 CA ILE A 39 -9.159 -1.615 3.955 1.00 0.00 C ATOM 665 C ILE A 39 -9.837 -2.130 5.225 1.00 0.00 C ATOM 666 O ILE A 39 -11.003 -2.521 5.205 1.00 0.00 O ATOM 667 CB ILE A 39 -8.835 -2.795 2.996 1.00 0.00 C ATOM 668 CG1 ILE A 39 -8.918 -4.148 3.709 1.00 0.00 C ATOM 669 CG2 ILE A 39 -7.454 -2.623 2.379 1.00 0.00 C ATOM 670 CD1 ILE A 39 -8.522 -5.319 2.833 1.00 0.00 C ATOM 0 H ILE A 39 -7.109 -1.423 4.310 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.842 -0.943 3.435 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.587 -2.782 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.273 -4.127 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.937 -4.300 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.247 -3.459 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.421 -1.691 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.703 -2.595 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.605 -6.244 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.183 -5.366 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.493 -5.191 2.497 1.00 0.00 H new ATOM 682 N LYS A 40 -9.086 -2.128 6.324 1.00 0.00 N ATOM 683 CA LYS A 40 -9.599 -2.598 7.609 1.00 0.00 C ATOM 684 C LYS A 40 -10.924 -1.921 7.973 1.00 0.00 C ATOM 685 O LYS A 40 -11.957 -2.583 8.055 1.00 0.00 O ATOM 686 CB LYS A 40 -8.569 -2.361 8.719 1.00 0.00 C ATOM 687 CG LYS A 40 -7.582 -3.507 8.905 1.00 0.00 C ATOM 688 CD LYS A 40 -8.291 -4.847 9.046 1.00 0.00 C ATOM 689 CE LYS A 40 -7.362 -5.912 9.605 1.00 0.00 C ATOM 690 NZ LYS A 40 -7.938 -7.278 9.466 1.00 0.00 N ATOM 0 H LYS A 40 -8.119 -1.806 6.350 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.783 -3.668 7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.014 -1.450 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.095 -2.192 9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.903 -3.543 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.974 -3.323 9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.155 -4.736 9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.667 -5.165 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.404 -5.867 9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.165 -5.706 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.275 -7.976 9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.840 -7.329 9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.103 -7.485 8.460 1.00 0.00 H new ATOM 704 N PRO A 41 -10.918 -0.593 8.209 1.00 0.00 N ATOM 705 CA PRO A 41 -12.135 0.139 8.573 1.00 0.00 C ATOM 706 C PRO A 41 -13.231 0.004 7.524 1.00 0.00 C ATOM 707 O PRO A 41 -14.415 -0.037 7.856 1.00 0.00 O ATOM 708 CB PRO A 41 -11.679 1.600 8.697 1.00 0.00 C ATOM 709 CG PRO A 41 -10.344 1.665 8.033 1.00 0.00 C ATOM 710 CD PRO A 41 -9.742 0.290 8.147 1.00 0.00 C ATOM 0 HA PRO A 41 -12.572 -0.251 9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.388 2.274 8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.611 1.902 9.742 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.444 1.959 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.708 2.408 8.514 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.109 0.056 7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.121 0.196 9.038 1.00 0.00 H new ATOM 718 N LEU A 42 -12.837 -0.077 6.257 1.00 0.00 N ATOM 719 CA LEU A 42 -13.805 -0.221 5.175 1.00 0.00 C ATOM 720 C LEU A 42 -14.619 -1.488 5.362 1.00 0.00 C ATOM 721 O LEU A 42 -15.826 -1.506 5.119 1.00 0.00 O ATOM 722 CB LEU A 42 -13.108 -0.274 3.820 1.00 0.00 C ATOM 723 CG LEU A 42 -12.079 0.821 3.565 1.00 0.00 C ATOM 724 CD1 LEU A 42 -11.362 0.551 2.255 1.00 0.00 C ATOM 725 CD2 LEU A 42 -12.745 2.189 3.544 1.00 0.00 C ATOM 0 H LEU A 42 -11.863 -0.046 5.956 1.00 0.00 H new ATOM 0 HA LEU A 42 -14.463 0.647 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.615 -1.241 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.867 -0.224 3.039 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.349 0.818 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.627 1.335 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.858 -0.414 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.086 0.538 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.993 2.957 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.493 2.217 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.226 2.374 4.504 1.00 0.00 H new ATOM 737 N GLU A 43 -13.950 -2.551 5.796 1.00 0.00 N ATOM 738 CA GLU A 43 -14.613 -3.827 6.016 1.00 0.00 C ATOM 739 C GLU A 43 -15.843 -3.643 6.901 1.00 0.00 C ATOM 740 O GLU A 43 -16.827 -4.368 6.776 1.00 0.00 O ATOM 741 CB GLU A 43 -13.650 -4.828 6.657 1.00 0.00 C ATOM 742 CG GLU A 43 -12.543 -5.292 5.722 1.00 0.00 C ATOM 743 CD GLU A 43 -12.307 -6.788 5.796 1.00 0.00 C ATOM 744 OE1 GLU A 43 -13.148 -7.548 5.273 1.00 0.00 O ATOM 745 OE2 GLU A 43 -11.281 -7.198 6.377 1.00 0.00 O ATOM 0 H GLU A 43 -12.951 -2.552 6.001 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.932 -4.218 5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.201 -4.373 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.215 -5.696 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.798 -5.018 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.619 -4.769 5.971 1.00 0.00 H new ATOM 752 N MET A 44 -15.780 -2.658 7.788 1.00 0.00 N ATOM 753 CA MET A 44 -16.890 -2.366 8.685 1.00 0.00 C ATOM 754 C MET A 44 -17.899 -1.440 8.010 1.00 0.00 C ATOM 755 O MET A 44 -19.057 -1.362 8.415 1.00 0.00 O ATOM 756 CB MET A 44 -16.374 -1.717 9.967 1.00 0.00 C ATOM 757 CG MET A 44 -15.277 -2.512 10.655 1.00 0.00 C ATOM 758 SD MET A 44 -14.901 -1.894 12.307 1.00 0.00 S ATOM 759 CE MET A 44 -13.133 -1.642 12.180 1.00 0.00 C ATOM 0 H MET A 44 -14.971 -2.048 7.905 1.00 0.00 H new ATOM 0 HA MET A 44 -17.386 -3.305 8.931 1.00 0.00 H new ATOM 0 HB2 MET A 44 -15.997 -0.721 9.733 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.206 -1.589 10.659 1.00 0.00 H new ATOM 0 HG2 MET A 44 -15.579 -3.557 10.723 1.00 0.00 H new ATOM 0 HG3 MET A 44 -14.374 -2.480 10.045 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.690 -1.662 13.176 1.00 0.00 H new ATOM 0 HE2 MET A 44 -12.695 -2.434 11.572 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.936 -0.676 11.715 1.00 0.00 H new ATOM 769 N LEU A 45 -17.438 -0.727 6.985 1.00 0.00 N ATOM 770 CA LEU A 45 -18.283 0.210 6.255 1.00 0.00 C ATOM 771 C LEU A 45 -18.985 -0.452 5.068 1.00 0.00 C ATOM 772 O LEU A 45 -20.212 -0.451 4.986 1.00 0.00 O ATOM 773 CB LEU A 45 -17.438 1.387 5.758 1.00 0.00 C ATOM 774 CG LEU A 45 -17.709 2.722 6.450 1.00 0.00 C ATOM 775 CD1 LEU A 45 -16.943 2.809 7.759 1.00 0.00 C ATOM 776 CD2 LEU A 45 -17.332 3.875 5.535 1.00 0.00 C ATOM 0 H LEU A 45 -16.479 -0.782 6.641 1.00 0.00 H new ATOM 0 HA LEU A 45 -19.053 0.562 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -16.385 1.137 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -17.608 1.510 4.688 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.774 2.788 6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -17.148 3.766 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -17.256 1.999 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.874 2.724 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -17.530 4.820 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.273 3.811 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.923 3.822 4.620 1.00 0.00 H new ATOM 788 N GLN A 46 -18.200 -0.989 4.133 1.00 0.00 N ATOM 789 CA GLN A 46 -18.760 -1.616 2.938 1.00 0.00 C ATOM 790 C GLN A 46 -19.211 -3.058 3.181 1.00 0.00 C ATOM 791 O GLN A 46 -20.302 -3.447 2.762 1.00 0.00 O ATOM 792 CB GLN A 46 -17.740 -1.568 1.798 1.00 0.00 C ATOM 793 CG GLN A 46 -16.544 -2.486 1.997 1.00 0.00 C ATOM 794 CD GLN A 46 -16.809 -3.902 1.524 1.00 0.00 C ATOM 795 OE1 GLN A 46 -17.536 -4.118 0.553 1.00 0.00 O ATOM 796 NE2 GLN A 46 -16.222 -4.875 2.210 1.00 0.00 N ATOM 0 H GLN A 46 -17.181 -1.002 4.180 1.00 0.00 H new ATOM 0 HA GLN A 46 -19.650 -1.048 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -18.239 -1.836 0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -17.384 -0.544 1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -15.687 -2.082 1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -16.277 -2.504 3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.628 -4.650 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.365 -5.848 1.939 1.00 0.00 H new ATOM 805 N ASP A 47 -18.373 -3.853 3.836 1.00 0.00 N ATOM 806 CA ASP A 47 -18.703 -5.252 4.097 1.00 0.00 C ATOM 807 C ASP A 47 -19.971 -5.381 4.935 1.00 0.00 C ATOM 808 O ASP A 47 -20.894 -6.109 4.569 1.00 0.00 O ATOM 809 CB ASP A 47 -17.537 -5.957 4.792 1.00 0.00 C ATOM 810 CG ASP A 47 -17.181 -7.274 4.131 1.00 0.00 C ATOM 811 OD1 ASP A 47 -17.094 -7.309 2.886 1.00 0.00 O ATOM 812 OD2 ASP A 47 -16.990 -8.272 4.860 1.00 0.00 O ATOM 0 H ASP A 47 -17.465 -3.557 4.195 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.886 -5.732 3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.665 -5.303 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.794 -6.135 5.836 1.00 0.00 H new ATOM 928 N SER A 55 -20.604 8.152 -4.681 1.00 0.00 N ATOM 929 CA SER A 55 -20.360 9.570 -4.913 1.00 0.00 C ATOM 930 C SER A 55 -19.240 9.768 -5.929 1.00 0.00 C ATOM 931 O SER A 55 -18.351 8.927 -6.060 1.00 0.00 O ATOM 932 CB SER A 55 -20.003 10.268 -3.600 1.00 0.00 C ATOM 933 OG SER A 55 -20.514 9.553 -2.488 1.00 0.00 O ATOM 0 HA SER A 55 -21.273 10.011 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 55 -18.920 10.356 -3.514 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.406 11.281 -3.602 1.00 0.00 H new ATOM 0 HG SER A 55 -20.699 8.627 -2.751 1.00 0.00 H new ATOM 939 N GLU A 56 -19.291 10.885 -6.646 1.00 0.00 N ATOM 940 CA GLU A 56 -18.281 11.192 -7.651 1.00 0.00 C ATOM 941 C GLU A 56 -16.897 11.293 -7.019 1.00 0.00 C ATOM 942 O GLU A 56 -15.938 10.699 -7.510 1.00 0.00 O ATOM 943 CB GLU A 56 -18.623 12.500 -8.366 1.00 0.00 C ATOM 944 CG GLU A 56 -18.105 12.562 -9.794 1.00 0.00 C ATOM 945 CD GLU A 56 -17.832 13.981 -10.254 1.00 0.00 C ATOM 946 OE1 GLU A 56 -16.722 14.487 -9.987 1.00 0.00 O ATOM 947 OE2 GLU A 56 -18.727 14.585 -10.881 1.00 0.00 O ATOM 0 H GLU A 56 -20.020 11.592 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.271 10.380 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.705 12.628 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.207 13.334 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.189 11.977 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.834 12.101 -10.461 1.00 0.00 H new ATOM 954 N LYS A 57 -16.801 12.047 -5.929 1.00 0.00 N ATOM 955 CA LYS A 57 -15.533 12.223 -5.231 1.00 0.00 C ATOM 956 C LYS A 57 -15.124 10.939 -4.515 1.00 0.00 C ATOM 957 O LYS A 57 -13.955 10.553 -4.530 1.00 0.00 O ATOM 958 CB LYS A 57 -15.635 13.373 -4.228 1.00 0.00 C ATOM 959 CG LYS A 57 -14.847 14.608 -4.637 1.00 0.00 C ATOM 960 CD LYS A 57 -14.911 15.690 -3.572 1.00 0.00 C ATOM 961 CE LYS A 57 -13.577 16.403 -3.422 1.00 0.00 C ATOM 962 NZ LYS A 57 -13.477 17.127 -2.124 1.00 0.00 N ATOM 0 H LYS A 57 -17.586 12.546 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.769 12.463 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.683 13.645 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.279 13.030 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.807 14.334 -4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.241 14.997 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.684 16.413 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.197 15.247 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.767 15.677 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.448 17.109 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.249 18.126 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.384 17.062 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.727 16.698 -1.544 1.00 0.00 H new ATOM 976 N LEU A 58 -16.095 10.282 -3.891 1.00 0.00 N ATOM 977 CA LEU A 58 -15.837 9.041 -3.170 1.00 0.00 C ATOM 978 C LEU A 58 -15.283 7.981 -4.113 1.00 0.00 C ATOM 979 O LEU A 58 -14.225 7.403 -3.862 1.00 0.00 O ATOM 980 CB LEU A 58 -17.121 8.535 -2.510 1.00 0.00 C ATOM 981 CG LEU A 58 -17.037 7.129 -1.911 1.00 0.00 C ATOM 982 CD1 LEU A 58 -15.840 7.013 -0.981 1.00 0.00 C ATOM 983 CD2 LEU A 58 -18.323 6.788 -1.174 1.00 0.00 C ATOM 0 H LEU A 58 -17.068 10.588 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.096 9.240 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -17.404 9.232 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.921 8.550 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 58 -16.907 6.416 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.798 6.006 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.925 7.214 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.937 7.736 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -18.247 5.785 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -18.483 7.507 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -19.162 6.828 -1.869 1.00 0.00 H new ATOM 995 N THR A 59 -16.002 7.734 -5.203 1.00 0.00 N ATOM 996 CA THR A 59 -15.575 6.746 -6.187 1.00 0.00 C ATOM 997 C THR A 59 -14.203 7.113 -6.740 1.00 0.00 C ATOM 998 O THR A 59 -13.369 6.243 -6.989 1.00 0.00 O ATOM 999 CB THR A 59 -16.597 6.648 -7.326 1.00 0.00 C ATOM 1000 OG1 THR A 59 -16.404 5.456 -8.067 1.00 0.00 O ATOM 1001 CG2 THR A 59 -16.535 7.807 -8.298 1.00 0.00 C ATOM 0 H THR A 59 -16.880 8.202 -5.427 1.00 0.00 H new ATOM 0 HA THR A 59 -15.508 5.775 -5.697 1.00 0.00 H new ATOM 0 HB THR A 59 -17.572 6.662 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.065 5.409 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.286 7.670 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.729 8.739 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 59 -15.545 7.848 -8.752 1.00 0.00 H new ATOM 1009 N THR A 60 -13.974 8.411 -6.921 1.00 0.00 N ATOM 1010 CA THR A 60 -12.700 8.897 -7.434 1.00 0.00 C ATOM 1011 C THR A 60 -11.572 8.512 -6.484 1.00 0.00 C ATOM 1012 O THR A 60 -10.485 8.138 -6.921 1.00 0.00 O ATOM 1013 CB THR A 60 -12.752 10.419 -7.644 1.00 0.00 C ATOM 1014 OG1 THR A 60 -12.460 10.745 -8.991 1.00 0.00 O ATOM 1015 CG2 THR A 60 -11.792 11.202 -6.769 1.00 0.00 C ATOM 0 H THR A 60 -14.655 9.143 -6.720 1.00 0.00 H new ATOM 0 HA THR A 60 -12.506 8.432 -8.400 1.00 0.00 H new ATOM 0 HB THR A 60 -13.768 10.702 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.499 11.717 -9.108 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.893 12.267 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.022 11.017 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.770 10.886 -6.977 1.00 0.00 H new ATOM 1023 N ALA A 61 -11.849 8.588 -5.186 1.00 0.00 N ATOM 1024 CA ALA A 61 -10.865 8.228 -4.175 1.00 0.00 C ATOM 1025 C ALA A 61 -10.639 6.729 -4.198 1.00 0.00 C ATOM 1026 O ALA A 61 -9.512 6.254 -4.325 1.00 0.00 O ATOM 1027 CB ALA A 61 -11.325 8.664 -2.798 1.00 0.00 C ATOM 0 H ALA A 61 -12.746 8.896 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.929 8.740 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.575 8.385 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.462 9.745 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.270 8.176 -2.558 1.00 0.00 H new ATOM 1033 N MET A 62 -11.733 5.987 -4.103 1.00 0.00 N ATOM 1034 CA MET A 62 -11.671 4.543 -4.144 1.00 0.00 C ATOM 1035 C MET A 62 -11.083 4.105 -5.478 1.00 0.00 C ATOM 1036 O MET A 62 -10.475 3.039 -5.585 1.00 0.00 O ATOM 1037 CB MET A 62 -13.064 3.953 -3.946 1.00 0.00 C ATOM 1038 CG MET A 62 -13.757 4.449 -2.686 1.00 0.00 C ATOM 1039 SD MET A 62 -15.514 4.049 -2.654 1.00 0.00 S ATOM 1040 CE MET A 62 -15.490 2.415 -3.379 1.00 0.00 C ATOM 0 H MET A 62 -12.674 6.367 -3.997 1.00 0.00 H new ATOM 0 HA MET A 62 -11.032 4.180 -3.339 1.00 0.00 H new ATOM 0 HB2 MET A 62 -13.680 4.198 -4.811 1.00 0.00 H new ATOM 0 HB3 MET A 62 -12.988 2.866 -3.906 1.00 0.00 H new ATOM 0 HG2 MET A 62 -13.273 4.010 -1.814 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.633 5.529 -2.610 1.00 0.00 H new ATOM 0 HE1 MET A 62 -16.292 1.815 -2.950 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.632 2.493 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 62 -14.531 1.939 -3.173 1.00 0.00 H new ATOM 1050 N ASN A 63 -11.241 4.959 -6.493 1.00 0.00 N ATOM 1051 CA ASN A 63 -10.696 4.677 -7.810 1.00 0.00 C ATOM 1052 C ASN A 63 -9.184 4.781 -7.745 1.00 0.00 C ATOM 1053 O ASN A 63 -8.469 3.828 -8.056 1.00 0.00 O ATOM 1054 CB ASN A 63 -11.250 5.654 -8.848 1.00 0.00 C ATOM 1055 CG ASN A 63 -12.525 5.153 -9.496 1.00 0.00 C ATOM 1056 OD1 ASN A 63 -12.604 4.006 -9.935 1.00 0.00 O ATOM 1057 ND2 ASN A 63 -13.534 6.015 -9.556 1.00 0.00 N ATOM 0 H ASN A 63 -11.740 5.845 -6.422 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.986 3.671 -8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.442 6.615 -8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.498 5.825 -9.618 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.419 5.735 -9.979 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.424 6.956 -9.179 1.00 0.00 H new ATOM 1064 N ARG A 64 -8.700 5.936 -7.297 1.00 0.00 N ATOM 1065 CA ARG A 64 -7.275 6.145 -7.147 1.00 0.00 C ATOM 1066 C ARG A 64 -6.725 5.145 -6.138 1.00 0.00 C ATOM 1067 O ARG A 64 -5.562 4.758 -6.203 1.00 0.00 O ATOM 1068 CB ARG A 64 -7.000 7.578 -6.700 1.00 0.00 C ATOM 1069 CG ARG A 64 -7.783 8.004 -5.472 1.00 0.00 C ATOM 1070 CD ARG A 64 -7.575 9.477 -5.160 1.00 0.00 C ATOM 1071 NE ARG A 64 -6.159 9.815 -5.030 1.00 0.00 N ATOM 1072 CZ ARG A 64 -5.681 11.055 -5.133 1.00 0.00 C ATOM 1073 NH1 ARG A 64 -6.500 12.073 -5.367 1.00 0.00 N ATOM 1074 NH2 ARG A 64 -4.380 11.275 -5.001 1.00 0.00 N ATOM 0 H ARG A 64 -9.277 6.735 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.777 5.990 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.935 7.685 -6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.236 8.255 -7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.844 7.811 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.475 7.403 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.021 10.081 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.094 9.728 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.499 9.059 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.502 11.909 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.128 13.020 -5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.747 10.496 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.013 12.223 -5.080 1.00 0.00 H new ATOM 1088 N PHE A 65 -7.593 4.714 -5.222 1.00 0.00 N ATOM 1089 CA PHE A 65 -7.235 3.733 -4.207 1.00 0.00 C ATOM 1090 C PHE A 65 -7.014 2.375 -4.853 1.00 0.00 C ATOM 1091 O PHE A 65 -5.917 1.819 -4.805 1.00 0.00 O ATOM 1092 CB PHE A 65 -8.356 3.650 -3.174 1.00 0.00 C ATOM 1093 CG PHE A 65 -7.989 2.985 -1.876 1.00 0.00 C ATOM 1094 CD1 PHE A 65 -6.670 2.875 -1.446 1.00 0.00 C ATOM 1095 CD2 PHE A 65 -8.992 2.481 -1.071 1.00 0.00 C ATOM 1096 CE1 PHE A 65 -6.374 2.271 -0.239 1.00 0.00 C ATOM 1097 CE2 PHE A 65 -8.703 1.880 0.133 1.00 0.00 C ATOM 1098 CZ PHE A 65 -7.392 1.774 0.553 1.00 0.00 C ATOM 0 H PHE A 65 -8.559 5.036 -5.166 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.311 4.036 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.705 4.660 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.194 3.110 -3.615 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.872 3.265 -2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.020 2.560 -1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.347 2.187 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.501 1.492 0.749 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.163 1.304 1.498 1.00 0.00 H new ATOM 1108 N LYS A 66 -8.067 1.856 -5.476 1.00 0.00 N ATOM 1109 CA LYS A 66 -8.002 0.574 -6.157 1.00 0.00 C ATOM 1110 C LYS A 66 -6.849 0.567 -7.158 1.00 0.00 C ATOM 1111 O LYS A 66 -6.140 -0.429 -7.298 1.00 0.00 O ATOM 1112 CB LYS A 66 -9.352 0.297 -6.835 1.00 0.00 C ATOM 1113 CG LYS A 66 -9.273 -0.472 -8.136 1.00 0.00 C ATOM 1114 CD LYS A 66 -9.277 0.464 -9.336 1.00 0.00 C ATOM 1115 CE LYS A 66 -7.960 0.412 -10.093 1.00 0.00 C ATOM 1116 NZ LYS A 66 -8.106 -0.260 -11.415 1.00 0.00 N ATOM 0 H LYS A 66 -8.980 2.309 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.809 -0.223 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.982 -0.259 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.848 1.249 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.367 -1.077 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.116 -1.159 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.093 0.193 -10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.464 1.484 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.585 1.425 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.218 -0.119 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.186 -0.275 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.439 -1.235 -11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.795 0.261 -11.995 1.00 0.00 H new ATOM 1130 N ALA A 67 -6.655 1.695 -7.830 1.00 0.00 N ATOM 1131 CA ALA A 67 -5.572 1.828 -8.793 1.00 0.00 C ATOM 1132 C ALA A 67 -4.240 1.958 -8.063 1.00 0.00 C ATOM 1133 O ALA A 67 -3.244 1.334 -8.437 1.00 0.00 O ATOM 1134 CB ALA A 67 -5.805 3.029 -9.697 1.00 0.00 C ATOM 0 H ALA A 67 -7.233 2.529 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.545 0.934 -9.416 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.985 3.112 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.744 2.902 -10.236 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.854 3.935 -9.093 1.00 0.00 H new ATOM 1140 N ALA A 68 -4.235 2.764 -7.002 1.00 0.00 N ATOM 1141 CA ALA A 68 -3.034 2.968 -6.201 1.00 0.00 C ATOM 1142 C ALA A 68 -2.507 1.634 -5.697 1.00 0.00 C ATOM 1143 O ALA A 68 -1.300 1.446 -5.539 1.00 0.00 O ATOM 1144 CB ALA A 68 -3.319 3.908 -5.034 1.00 0.00 C ATOM 0 H ALA A 68 -5.050 3.285 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.272 3.429 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.410 4.047 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.655 4.872 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.096 3.478 -4.402 1.00 0.00 H new ATOM 1150 N LEU A 69 -3.424 0.704 -5.464 1.00 0.00 N ATOM 1151 CA LEU A 69 -3.060 -0.622 -4.998 1.00 0.00 C ATOM 1152 C LEU A 69 -2.268 -1.348 -6.072 1.00 0.00 C ATOM 1153 O LEU A 69 -1.166 -1.834 -5.822 1.00 0.00 O ATOM 1154 CB LEU A 69 -4.311 -1.413 -4.641 1.00 0.00 C ATOM 1155 CG LEU A 69 -4.862 -1.121 -3.251 1.00 0.00 C ATOM 1156 CD1 LEU A 69 -6.357 -1.377 -3.200 1.00 0.00 C ATOM 1157 CD2 LEU A 69 -4.133 -1.956 -2.215 1.00 0.00 C ATOM 0 H LEU A 69 -4.426 0.847 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.441 -0.527 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.085 -1.199 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.087 -2.477 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.697 -0.068 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.729 -1.162 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.861 -0.733 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.556 -2.420 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.535 -1.740 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.270 -3.014 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.070 -1.715 -2.236 1.00 0.00 H new ATOM 1169 N GLU A 70 -2.832 -1.393 -7.278 1.00 0.00 N ATOM 1170 CA GLU A 70 -2.173 -2.035 -8.409 1.00 0.00 C ATOM 1171 C GLU A 70 -0.702 -1.647 -8.439 1.00 0.00 C ATOM 1172 O GLU A 70 0.151 -2.437 -8.836 1.00 0.00 O ATOM 1173 CB GLU A 70 -2.851 -1.635 -9.721 1.00 0.00 C ATOM 1174 CG GLU A 70 -4.037 -2.513 -10.086 1.00 0.00 C ATOM 1175 CD GLU A 70 -4.167 -2.724 -11.582 1.00 0.00 C ATOM 1176 OE1 GLU A 70 -3.160 -3.101 -12.218 1.00 0.00 O ATOM 1177 OE2 GLU A 70 -5.275 -2.512 -12.117 1.00 0.00 O ATOM 0 H GLU A 70 -3.744 -0.992 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.254 -3.116 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.185 -0.600 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.118 -1.676 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.934 -3.480 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.952 -2.058 -9.706 1.00 0.00 H new ATOM 1184 N GLU A 71 -0.412 -0.429 -7.986 1.00 0.00 N ATOM 1185 CA GLU A 71 0.962 0.046 -7.932 1.00 0.00 C ATOM 1186 C GLU A 71 1.736 -0.783 -6.914 1.00 0.00 C ATOM 1187 O GLU A 71 2.750 -1.395 -7.243 1.00 0.00 O ATOM 1188 CB GLU A 71 1.000 1.528 -7.565 1.00 0.00 C ATOM 1189 CG GLU A 71 -0.059 2.348 -8.284 1.00 0.00 C ATOM 1190 CD GLU A 71 0.529 3.384 -9.223 1.00 0.00 C ATOM 1191 OE1 GLU A 71 1.735 3.291 -9.533 1.00 0.00 O ATOM 1192 OE2 GLU A 71 -0.218 4.290 -9.649 1.00 0.00 O ATOM 0 H GLU A 71 -1.107 0.240 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 71 1.425 -0.066 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.864 1.633 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.985 1.930 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.706 1.678 -8.850 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.686 2.849 -7.546 1.00 0.00 H new ATOM 1199 N ALA A 72 1.227 -0.831 -5.681 1.00 0.00 N ATOM 1200 CA ALA A 72 1.856 -1.625 -4.634 1.00 0.00 C ATOM 1201 C ALA A 72 1.884 -3.088 -5.057 1.00 0.00 C ATOM 1202 O ALA A 72 2.920 -3.751 -4.995 1.00 0.00 O ATOM 1203 CB ALA A 72 1.104 -1.465 -3.320 1.00 0.00 C ATOM 0 H ALA A 72 0.387 -0.332 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 72 2.878 -1.276 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.587 -2.065 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.111 -0.417 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.074 -1.799 -3.447 1.00 0.00 H new ATOM 1209 N ASN A 73 0.730 -3.573 -5.512 1.00 0.00 N ATOM 1210 CA ASN A 73 0.600 -4.945 -5.981 1.00 0.00 C ATOM 1211 C ASN A 73 1.595 -5.213 -7.101 1.00 0.00 C ATOM 1212 O ASN A 73 2.271 -6.242 -7.121 1.00 0.00 O ATOM 1213 CB ASN A 73 -0.823 -5.193 -6.488 1.00 0.00 C ATOM 1214 CG ASN A 73 -1.029 -6.616 -6.963 1.00 0.00 C ATOM 1215 OD1 ASN A 73 -1.012 -6.893 -8.163 1.00 0.00 O ATOM 1216 ND2 ASN A 73 -1.229 -7.529 -6.022 1.00 0.00 N ATOM 0 H ASN A 73 -0.132 -3.029 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 73 0.808 -5.619 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.533 -4.973 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.039 -4.505 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.377 -8.504 -6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.235 -7.256 -5.039 1.00 0.00 H new ATOM 1223 N GLY A 74 1.682 -4.265 -8.028 1.00 0.00 N ATOM 1224 CA GLY A 74 2.600 -4.396 -9.140 1.00 0.00 C ATOM 1225 C GLY A 74 4.039 -4.318 -8.686 1.00 0.00 C ATOM 1226 O GLY A 74 4.878 -5.108 -9.115 1.00 0.00 O ATOM 0 H GLY A 74 1.131 -3.407 -8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.428 -5.347 -9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.405 -3.609 -9.868 1.00 0.00 H new ATOM 1230 N GLU A 75 4.320 -3.370 -7.799 1.00 0.00 N ATOM 1231 CA GLU A 75 5.663 -3.201 -7.267 1.00 0.00 C ATOM 1232 C GLU A 75 6.086 -4.462 -6.524 1.00 0.00 C ATOM 1233 O GLU A 75 7.206 -4.944 -6.682 1.00 0.00 O ATOM 1234 CB GLU A 75 5.717 -1.988 -6.331 1.00 0.00 C ATOM 1235 CG GLU A 75 5.667 -0.655 -7.056 1.00 0.00 C ATOM 1236 CD GLU A 75 7.001 -0.272 -7.666 1.00 0.00 C ATOM 1237 OE1 GLU A 75 7.414 -0.924 -8.647 1.00 0.00 O ATOM 1238 OE2 GLU A 75 7.633 0.681 -7.162 1.00 0.00 O ATOM 0 H GLU A 75 3.635 -2.708 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 75 6.352 -3.029 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.883 -2.043 -5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.632 -2.036 -5.740 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.913 -0.701 -7.841 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.354 0.122 -6.359 1.00 0.00 H new ATOM 1245 N ILE A 76 5.168 -4.998 -5.729 1.00 0.00 N ATOM 1246 CA ILE A 76 5.424 -6.212 -4.969 1.00 0.00 C ATOM 1247 C ILE A 76 5.484 -7.425 -5.895 1.00 0.00 C ATOM 1248 O ILE A 76 6.181 -8.399 -5.615 1.00 0.00 O ATOM 1249 CB ILE A 76 4.332 -6.443 -3.903 1.00 0.00 C ATOM 1250 CG1 ILE A 76 4.302 -5.278 -2.911 1.00 0.00 C ATOM 1251 CG2 ILE A 76 4.564 -7.760 -3.175 1.00 0.00 C ATOM 1252 CD1 ILE A 76 2.984 -5.143 -2.182 1.00 0.00 C ATOM 0 H ILE A 76 4.235 -4.607 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 76 6.385 -6.087 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 76 3.365 -6.496 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.100 -5.412 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.510 -4.351 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.784 -7.905 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.537 -8.581 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.537 -7.738 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.033 -4.298 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.184 -4.978 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.784 -6.056 -1.621 1.00 0.00 H new ATOM 1264 N GLU A 77 4.748 -7.355 -6.999 1.00 0.00 N ATOM 1265 CA GLU A 77 4.715 -8.447 -7.965 1.00 0.00 C ATOM 1266 C GLU A 77 5.950 -8.421 -8.861 1.00 0.00 C ATOM 1267 O GLU A 77 6.517 -9.466 -9.180 1.00 0.00 O ATOM 1268 CB GLU A 77 3.447 -8.362 -8.818 1.00 0.00 C ATOM 1269 CG GLU A 77 3.386 -9.402 -9.925 1.00 0.00 C ATOM 1270 CD GLU A 77 2.156 -9.253 -10.798 1.00 0.00 C ATOM 1271 OE1 GLU A 77 1.040 -9.516 -10.303 1.00 0.00 O ATOM 1272 OE2 GLU A 77 2.309 -8.874 -11.978 1.00 0.00 O ATOM 0 H GLU A 77 4.167 -6.554 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 77 4.711 -9.387 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.577 -8.480 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.383 -7.368 -9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.279 -9.320 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.395 -10.398 -9.483 1.00 0.00 H new ATOM 1279 N LYS A 78 6.360 -7.224 -9.266 1.00 0.00 N ATOM 1280 CA LYS A 78 7.526 -7.070 -10.127 1.00 0.00 C ATOM 1281 C LYS A 78 8.820 -7.229 -9.333 1.00 0.00 C ATOM 1282 O LYS A 78 9.883 -7.466 -9.907 1.00 0.00 O ATOM 1283 CB LYS A 78 7.499 -5.702 -10.816 1.00 0.00 C ATOM 1284 CG LYS A 78 7.358 -5.784 -12.328 1.00 0.00 C ATOM 1285 CD LYS A 78 6.135 -6.592 -12.735 1.00 0.00 C ATOM 1286 CE LYS A 78 4.862 -6.029 -12.125 1.00 0.00 C ATOM 1287 NZ LYS A 78 3.643 -6.656 -12.704 1.00 0.00 N ATOM 0 H LYS A 78 5.903 -6.348 -9.012 1.00 0.00 H new ATOM 0 HA LYS A 78 7.491 -7.853 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.671 -5.118 -10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.416 -5.164 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.284 -4.778 -12.742 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.253 -6.239 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.047 -6.597 -13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.262 -7.628 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.875 -6.189 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.828 -4.952 -12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.911 -5.930 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.877 -7.090 -13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.287 -7.387 -12.055 1.00 0.00 H new ATOM 1301 N PHE A 79 8.728 -7.094 -8.014 1.00 0.00 N ATOM 1302 CA PHE A 79 9.896 -7.218 -7.155 1.00 0.00 C ATOM 1303 C PHE A 79 9.980 -8.606 -6.527 1.00 0.00 C ATOM 1304 O PHE A 79 10.660 -8.801 -5.521 1.00 0.00 O ATOM 1305 CB PHE A 79 9.858 -6.144 -6.068 1.00 0.00 C ATOM 1306 CG PHE A 79 10.296 -4.795 -6.561 1.00 0.00 C ATOM 1307 CD1 PHE A 79 11.422 -4.670 -7.356 1.00 0.00 C ATOM 1308 CD2 PHE A 79 9.578 -3.656 -6.238 1.00 0.00 C ATOM 1309 CE1 PHE A 79 11.827 -3.435 -7.819 1.00 0.00 C ATOM 1310 CE2 PHE A 79 9.978 -2.416 -6.699 1.00 0.00 C ATOM 1311 CZ PHE A 79 11.103 -2.306 -7.491 1.00 0.00 C ATOM 0 H PHE A 79 7.858 -6.899 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 79 10.786 -7.078 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.844 -6.069 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.500 -6.449 -5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.991 -5.550 -7.617 1.00 0.00 H new ATOM 0 HD2 PHE A 79 8.696 -3.737 -5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.709 -3.352 -8.437 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.411 -1.534 -6.440 1.00 0.00 H new ATOM 0 HZ PHE A 79 11.417 -1.338 -7.854 1.00 0.00 H new ATOM 1321 N SER A 80 9.285 -9.568 -7.128 1.00 0.00 N ATOM 1322 CA SER A 80 9.287 -10.936 -6.624 1.00 0.00 C ATOM 1323 C SER A 80 10.589 -11.647 -6.982 1.00 0.00 C ATOM 1324 O SER A 80 11.038 -12.538 -6.263 1.00 0.00 O ATOM 1325 CB SER A 80 8.096 -11.711 -7.188 1.00 0.00 C ATOM 1326 OG SER A 80 7.546 -12.581 -6.215 1.00 0.00 O ATOM 0 H SER A 80 8.715 -9.425 -7.962 1.00 0.00 H new ATOM 0 HA SER A 80 9.204 -10.897 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.332 -11.012 -7.529 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.412 -12.287 -8.058 1.00 0.00 H new ATOM 0 HG SER A 80 6.785 -13.063 -6.600 1.00 0.00 H new ATOM 1332 N ASN A 81 11.189 -11.246 -8.098 1.00 0.00 N ATOM 1333 CA ASN A 81 12.439 -11.845 -8.550 1.00 0.00 C ATOM 1334 C ASN A 81 13.628 -10.951 -8.210 1.00 0.00 C ATOM 1335 O ASN A 81 13.507 -9.726 -8.178 1.00 0.00 O ATOM 1336 CB ASN A 81 12.391 -12.098 -10.059 1.00 0.00 C ATOM 1337 CG ASN A 81 12.994 -13.436 -10.439 1.00 0.00 C ATOM 1338 OD1 ASN A 81 12.675 -14.465 -9.845 1.00 0.00 O ATOM 1339 ND2 ASN A 81 13.872 -13.427 -11.436 1.00 0.00 N ATOM 0 H ASN A 81 10.830 -10.509 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 81 12.564 -12.796 -8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.356 -12.059 -10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.926 -11.301 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN A 81 14.311 -14.297 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.107 -12.550 -11.901 1.00 0.00 H new ATOM 1346 N ARG A 82 14.774 -11.573 -7.956 1.00 0.00 N ATOM 1347 CA ARG A 82 15.986 -10.836 -7.619 1.00 0.00 C ATOM 1348 C ARG A 82 16.384 -9.891 -8.749 1.00 0.00 C ATOM 1349 O ARG A 82 17.013 -8.858 -8.515 1.00 0.00 O ATOM 1350 CB ARG A 82 17.132 -11.805 -7.327 1.00 0.00 C ATOM 1351 CG ARG A 82 17.492 -12.692 -8.509 1.00 0.00 C ATOM 1352 CD ARG A 82 18.915 -13.214 -8.402 1.00 0.00 C ATOM 1353 NE ARG A 82 19.888 -12.260 -8.930 1.00 0.00 N ATOM 1354 CZ ARG A 82 21.126 -12.588 -9.297 1.00 0.00 C ATOM 1355 NH1 ARG A 82 21.544 -13.843 -9.194 1.00 0.00 N ATOM 1356 NH2 ARG A 82 21.946 -11.658 -9.767 1.00 0.00 N ATOM 0 H ARG A 82 14.889 -12.586 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 82 15.782 -10.243 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 82 18.012 -11.235 -7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.858 -12.435 -6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.799 -13.531 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.379 -12.129 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.146 -13.427 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 82 18.998 -14.155 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 82 19.602 -11.285 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 82 20.917 -14.561 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 82 22.493 -14.089 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.629 -10.692 -9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.894 -11.909 -10.048 1.00 0.00 H new ATOM 1370 N SER A 83 16.013 -10.252 -9.974 1.00 0.00 N ATOM 1371 CA SER A 83 16.332 -9.438 -11.143 1.00 0.00 C ATOM 1372 C SER A 83 15.885 -7.992 -10.945 1.00 0.00 C ATOM 1373 O SER A 83 16.666 -7.060 -11.132 1.00 0.00 O ATOM 1374 CB SER A 83 15.669 -10.022 -12.392 1.00 0.00 C ATOM 1375 OG SER A 83 14.602 -10.889 -12.046 1.00 0.00 O ATOM 0 H SER A 83 15.491 -11.103 -10.183 1.00 0.00 H new ATOM 0 HA SER A 83 17.414 -9.447 -11.274 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.296 -9.214 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.408 -10.567 -12.979 1.00 0.00 H new ATOM 0 HG SER A 83 13.923 -10.870 -12.752 1.00 0.00 H new ATOM 1381 N ASN A 84 14.625 -7.815 -10.564 1.00 0.00 N ATOM 1382 CA ASN A 84 14.075 -6.485 -10.341 1.00 0.00 C ATOM 1383 C ASN A 84 14.608 -5.887 -9.042 1.00 0.00 C ATOM 1384 O ASN A 84 14.936 -4.702 -8.983 1.00 0.00 O ATOM 1385 CB ASN A 84 12.546 -6.540 -10.303 1.00 0.00 C ATOM 1386 CG ASN A 84 11.921 -6.187 -11.638 1.00 0.00 C ATOM 1387 OD1 ASN A 84 12.132 -5.094 -12.165 1.00 0.00 O ATOM 1388 ND2 ASN A 84 11.147 -7.112 -12.194 1.00 0.00 N ATOM 0 H ASN A 84 13.966 -8.577 -10.403 1.00 0.00 H new ATOM 0 HA ASN A 84 14.386 -5.847 -11.168 1.00 0.00 H new ATOM 0 HB2 ASN A 84 12.228 -7.541 -10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.179 -5.853 -9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.700 -6.930 -13.093 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.999 -8.004 -11.722 1.00 0.00 H new ATOM 1395 N ILE A 85 14.692 -6.714 -8.005 1.00 0.00 N ATOM 1396 CA ILE A 85 15.186 -6.265 -6.708 1.00 0.00 C ATOM 1397 C ILE A 85 16.632 -5.789 -6.808 1.00 0.00 C ATOM 1398 O ILE A 85 16.921 -4.608 -6.619 1.00 0.00 O ATOM 1399 CB ILE A 85 15.088 -7.388 -5.654 1.00 0.00 C ATOM 1400 CG1 ILE A 85 13.623 -7.762 -5.419 1.00 0.00 C ATOM 1401 CG2 ILE A 85 15.753 -6.968 -4.347 1.00 0.00 C ATOM 1402 CD1 ILE A 85 12.828 -6.693 -4.699 1.00 0.00 C ATOM 0 H ILE A 85 14.425 -7.698 -8.037 1.00 0.00 H new ATOM 0 HA ILE A 85 14.557 -5.431 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 85 15.616 -8.263 -6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.151 -7.967 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.581 -8.685 -4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.670 -7.776 -3.621 1.00 0.00 H new ATOM 0 HG22 ILE A 85 16.805 -6.749 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.259 -6.078 -3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 85 11.800 -7.030 -4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 85 13.274 -6.503 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.837 -5.775 -5.287 1.00 0.00 H new ATOM 1414 N CYS A 86 17.536 -6.717 -7.110 1.00 0.00 N ATOM 1415 CA CYS A 86 18.953 -6.393 -7.238 1.00 0.00 C ATOM 1416 C CYS A 86 19.157 -5.171 -8.130 1.00 0.00 C ATOM 1417 O CYS A 86 20.134 -4.437 -7.982 1.00 0.00 O ATOM 1418 CB CYS A 86 19.721 -7.587 -7.807 1.00 0.00 C ATOM 1419 SG CYS A 86 19.628 -9.078 -6.789 1.00 0.00 S ATOM 0 H CYS A 86 17.312 -7.699 -7.271 1.00 0.00 H new ATOM 0 HA CYS A 86 19.337 -6.162 -6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 86 19.334 -7.814 -8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 86 20.768 -7.308 -7.928 1.00 0.00 H new ATOM 0 HG CYS A 86 20.306 -10.032 -7.354 1.00 0.00 H new ATOM 1425 N ARG A 87 18.226 -4.962 -9.055 1.00 0.00 N ATOM 1426 CA ARG A 87 18.301 -3.830 -9.969 1.00 0.00 C ATOM 1427 C ARG A 87 17.760 -2.562 -9.315 1.00 0.00 C ATOM 1428 O ARG A 87 18.411 -1.520 -9.335 1.00 0.00 O ATOM 1429 CB ARG A 87 17.518 -4.131 -11.249 1.00 0.00 C ATOM 1430 CG ARG A 87 18.371 -4.733 -12.355 1.00 0.00 C ATOM 1431 CD ARG A 87 18.800 -3.678 -13.362 1.00 0.00 C ATOM 1432 NE ARG A 87 19.348 -4.275 -14.579 1.00 0.00 N ATOM 1433 CZ ARG A 87 20.588 -4.746 -14.681 1.00 0.00 C ATOM 1434 NH1 ARG A 87 21.413 -4.694 -13.642 1.00 0.00 N ATOM 1435 NH2 ARG A 87 21.006 -5.271 -15.824 1.00 0.00 N ATOM 0 H ARG A 87 17.412 -5.561 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 87 19.349 -3.667 -10.220 1.00 0.00 H new ATOM 0 HB2 ARG A 87 16.704 -4.817 -11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 87 17.063 -3.209 -11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.253 -5.204 -11.921 1.00 0.00 H new ATOM 0 HG3 ARG A 87 17.810 -5.517 -12.864 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.945 -3.052 -13.618 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.548 -3.027 -12.909 1.00 0.00 H new ATOM 0 HE ARG A 87 18.744 -4.334 -15.399 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.097 -4.291 -12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 87 22.363 -5.057 -13.726 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.377 -5.314 -16.626 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.957 -5.632 -15.902 1.00 0.00 H new ATOM 1449 N PHE A 88 16.565 -2.657 -8.738 1.00 0.00 N ATOM 1450 CA PHE A 88 15.943 -1.511 -8.085 1.00 0.00 C ATOM 1451 C PHE A 88 16.804 -1.009 -6.926 1.00 0.00 C ATOM 1452 O PHE A 88 16.733 0.160 -6.556 1.00 0.00 O ATOM 1453 CB PHE A 88 14.529 -1.880 -7.606 1.00 0.00 C ATOM 1454 CG PHE A 88 14.274 -1.621 -6.146 1.00 0.00 C ATOM 1455 CD1 PHE A 88 14.196 -0.327 -5.657 1.00 0.00 C ATOM 1456 CD2 PHE A 88 14.124 -2.675 -5.263 1.00 0.00 C ATOM 1457 CE1 PHE A 88 13.972 -0.091 -4.315 1.00 0.00 C ATOM 1458 CE2 PHE A 88 13.903 -2.448 -3.922 1.00 0.00 C ATOM 1459 CZ PHE A 88 13.825 -1.153 -3.445 1.00 0.00 C ATOM 0 H PHE A 88 16.011 -3.513 -8.710 1.00 0.00 H new ATOM 0 HA PHE A 88 15.861 -0.700 -8.808 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.803 -1.318 -8.193 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.355 -2.937 -7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.312 0.507 -6.333 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.181 -3.689 -5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.912 0.922 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 88 13.791 -3.281 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.650 -0.972 -2.395 1.00 0.00 H new ATOM 1469 N LEU A 89 17.613 -1.895 -6.353 1.00 0.00 N ATOM 1470 CA LEU A 89 18.474 -1.520 -5.238 1.00 0.00 C ATOM 1471 C LEU A 89 19.665 -0.698 -5.720 1.00 0.00 C ATOM 1472 O LEU A 89 19.814 0.469 -5.356 1.00 0.00 O ATOM 1473 CB LEU A 89 18.971 -2.764 -4.491 1.00 0.00 C ATOM 1474 CG LEU A 89 17.895 -3.612 -3.797 1.00 0.00 C ATOM 1475 CD1 LEU A 89 18.502 -4.378 -2.632 1.00 0.00 C ATOM 1476 CD2 LEU A 89 16.737 -2.749 -3.313 1.00 0.00 C ATOM 0 H LEU A 89 17.690 -2.871 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 89 17.882 -0.911 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 89 19.504 -3.399 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 89 19.695 -2.447 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 89 17.503 -4.321 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.730 -4.976 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.291 -5.034 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.921 -3.674 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.992 -3.379 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.107 -2.009 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.282 -2.240 -4.163 1.00 0.00 H new ATOM 1488 N THR A 90 20.512 -1.313 -6.538 1.00 0.00 N ATOM 1489 CA THR A 90 21.692 -0.637 -7.066 1.00 0.00 C ATOM 1490 C THR A 90 21.297 0.513 -7.987 1.00 0.00 C ATOM 1491 O THR A 90 21.998 1.520 -8.076 1.00 0.00 O ATOM 1492 CB THR A 90 22.578 -1.628 -7.823 1.00 0.00 C ATOM 1493 OG1 THR A 90 23.660 -0.959 -8.445 1.00 0.00 O ATOM 1494 CG2 THR A 90 21.836 -2.397 -8.894 1.00 0.00 C ATOM 0 H THR A 90 20.404 -2.278 -6.850 1.00 0.00 H new ATOM 0 HA THR A 90 22.251 -0.229 -6.224 1.00 0.00 H new ATOM 0 HB THR A 90 22.930 -2.334 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 90 24.216 -1.610 -8.923 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.523 -3.082 -9.392 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.024 -2.964 -8.438 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.426 -1.700 -9.624 1.00 0.00 H new ATOM 1502 N ALA A 91 20.169 0.354 -8.670 1.00 0.00 N ATOM 1503 CA ALA A 91 19.678 1.377 -9.585 1.00 0.00 C ATOM 1504 C ALA A 91 18.794 2.387 -8.863 1.00 0.00 C ATOM 1505 O ALA A 91 18.693 3.543 -9.274 1.00 0.00 O ATOM 1506 CB ALA A 91 18.913 0.734 -10.730 1.00 0.00 C ATOM 0 H ALA A 91 19.577 -0.474 -8.607 1.00 0.00 H new ATOM 0 HA ALA A 91 20.540 1.910 -9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.551 1.509 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 91 19.572 0.057 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 91 18.066 0.175 -10.333 1.00 0.00 H new ATOM 1512 N SER A 92 18.151 1.943 -7.788 1.00 0.00 N ATOM 1513 CA SER A 92 17.271 2.810 -7.013 1.00 0.00 C ATOM 1514 C SER A 92 16.044 3.202 -7.831 1.00 0.00 C ATOM 1515 O SER A 92 15.880 4.364 -8.202 1.00 0.00 O ATOM 1516 CB SER A 92 18.021 4.065 -6.559 1.00 0.00 C ATOM 1517 OG SER A 92 19.407 3.809 -6.416 1.00 0.00 O ATOM 0 H SER A 92 18.223 0.989 -7.434 1.00 0.00 H new ATOM 0 HA SER A 92 16.941 2.259 -6.132 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.869 4.865 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.613 4.413 -5.610 1.00 0.00 H new ATOM 0 HG SER A 92 19.863 4.627 -6.127 1.00 0.00 H new ATOM 1523 N GLN A 93 15.183 2.223 -8.113 1.00 0.00 N ATOM 1524 CA GLN A 93 13.970 2.474 -8.890 1.00 0.00 C ATOM 1525 C GLN A 93 13.242 3.704 -8.362 1.00 0.00 C ATOM 1526 O GLN A 93 12.946 4.634 -9.113 1.00 0.00 O ATOM 1527 CB GLN A 93 13.045 1.256 -8.841 1.00 0.00 C ATOM 1528 CG GLN A 93 11.785 1.416 -9.676 1.00 0.00 C ATOM 1529 CD GLN A 93 12.056 1.314 -11.165 1.00 0.00 C ATOM 1530 OE1 GLN A 93 13.053 0.727 -11.588 1.00 0.00 O ATOM 1531 NE2 GLN A 93 11.170 1.889 -11.968 1.00 0.00 N ATOM 0 H GLN A 93 15.303 1.254 -7.817 1.00 0.00 H new ATOM 0 HA GLN A 93 14.258 2.656 -9.925 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.593 0.380 -9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.763 1.066 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.063 0.651 -9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.330 2.382 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.358 2.365 -11.574 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.301 1.855 -12.979 1.00 0.00 H new ATOM 1540 N ASP A 94 12.970 3.709 -7.062 1.00 0.00 N ATOM 1541 CA ASP A 94 12.297 4.829 -6.427 1.00 0.00 C ATOM 1542 C ASP A 94 12.947 5.142 -5.083 1.00 0.00 C ATOM 1543 O ASP A 94 12.354 5.807 -4.236 1.00 0.00 O ATOM 1544 CB ASP A 94 10.819 4.499 -6.228 1.00 0.00 C ATOM 1545 CG ASP A 94 9.948 5.047 -7.342 1.00 0.00 C ATOM 1546 OD1 ASP A 94 9.847 6.286 -7.461 1.00 0.00 O ATOM 1547 OD2 ASP A 94 9.366 4.238 -8.093 1.00 0.00 O ATOM 0 H ASP A 94 13.207 2.946 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 94 12.385 5.705 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.695 3.417 -6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.484 4.907 -5.274 1.00 0.00 H new ATOM 1552 N LYS A 95 14.165 4.627 -4.887 1.00 0.00 N ATOM 1553 CA LYS A 95 14.896 4.819 -3.640 1.00 0.00 C ATOM 1554 C LYS A 95 14.336 3.904 -2.552 1.00 0.00 C ATOM 1555 O LYS A 95 14.892 3.813 -1.459 1.00 0.00 O ATOM 1556 CB LYS A 95 14.829 6.281 -3.184 1.00 0.00 C ATOM 1557 CG LYS A 95 15.052 7.283 -4.307 1.00 0.00 C ATOM 1558 CD LYS A 95 14.096 8.463 -4.204 1.00 0.00 C ATOM 1559 CE LYS A 95 13.274 8.628 -5.473 1.00 0.00 C ATOM 1560 NZ LYS A 95 12.247 9.697 -5.333 1.00 0.00 N ATOM 0 H LYS A 95 14.664 4.072 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 95 15.941 4.563 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.855 6.467 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 95 15.577 6.445 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.080 7.643 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.918 6.788 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.429 8.319 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 95 14.662 9.375 -4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.936 8.867 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 95 12.785 7.684 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.708 9.779 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.600 9.457 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.715 10.603 -5.128 1.00 0.00 H new ATOM 1574 N ILE A 96 13.227 3.229 -2.865 1.00 0.00 N ATOM 1575 CA ILE A 96 12.579 2.324 -1.931 1.00 0.00 C ATOM 1576 C ILE A 96 11.687 1.330 -2.672 1.00 0.00 C ATOM 1577 O ILE A 96 11.090 1.658 -3.698 1.00 0.00 O ATOM 1578 CB ILE A 96 11.712 3.098 -0.920 1.00 0.00 C ATOM 1579 CG1 ILE A 96 12.525 4.199 -0.233 1.00 0.00 C ATOM 1580 CG2 ILE A 96 11.090 2.151 0.097 1.00 0.00 C ATOM 1581 CD1 ILE A 96 11.789 4.887 0.889 1.00 0.00 C ATOM 0 H ILE A 96 12.760 3.298 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 96 13.367 1.790 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 96 10.900 3.579 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.446 3.767 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.813 4.943 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.482 2.720 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.463 1.424 -0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.879 1.629 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 96 12.428 5.654 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.882 5.349 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.524 4.156 1.653 1.00 0.00 H new ATOM 1593 N LEU A 97 11.605 0.119 -2.137 1.00 0.00 N ATOM 1594 CA LEU A 97 10.791 -0.951 -2.716 1.00 0.00 C ATOM 1595 C LEU A 97 9.446 -0.431 -3.241 1.00 0.00 C ATOM 1596 O LEU A 97 9.142 -0.576 -4.424 1.00 0.00 O ATOM 1597 CB LEU A 97 10.558 -2.045 -1.667 1.00 0.00 C ATOM 1598 CG LEU A 97 10.318 -3.456 -2.216 1.00 0.00 C ATOM 1599 CD1 LEU A 97 9.173 -3.452 -3.209 1.00 0.00 C ATOM 1600 CD2 LEU A 97 11.580 -4.017 -2.858 1.00 0.00 C ATOM 0 H LEU A 97 12.100 -0.153 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 97 11.335 -1.362 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.422 -2.076 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.699 -1.761 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 97 10.051 -4.102 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.017 -4.462 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.265 -3.105 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.413 -2.786 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.380 -5.019 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.888 -3.371 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.376 -4.063 -2.115 1.00 0.00 H new ATOM 1612 N PHE A 98 8.642 0.168 -2.361 1.00 0.00 N ATOM 1613 CA PHE A 98 7.334 0.691 -2.762 1.00 0.00 C ATOM 1614 C PHE A 98 7.125 2.132 -2.294 1.00 0.00 C ATOM 1615 O PHE A 98 6.039 2.495 -1.843 1.00 0.00 O ATOM 1616 CB PHE A 98 6.214 -0.201 -2.222 1.00 0.00 C ATOM 1617 CG PHE A 98 6.053 -0.137 -0.731 1.00 0.00 C ATOM 1618 CD1 PHE A 98 6.999 -0.699 0.105 1.00 0.00 C ATOM 1619 CD2 PHE A 98 4.950 0.483 -0.169 1.00 0.00 C ATOM 1620 CE1 PHE A 98 6.850 -0.644 1.478 1.00 0.00 C ATOM 1621 CE2 PHE A 98 4.793 0.539 1.202 1.00 0.00 C ATOM 1622 CZ PHE A 98 5.746 -0.024 2.027 1.00 0.00 C ATOM 0 H PHE A 98 8.870 0.302 -1.376 1.00 0.00 H new ATOM 0 HA PHE A 98 7.305 0.688 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.274 0.088 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.412 -1.233 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.864 -1.187 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.204 0.928 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.597 -1.086 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.926 1.022 1.628 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.628 0.021 3.100 1.00 0.00 H new ATOM 1632 N LYS A 99 8.165 2.950 -2.415 1.00 0.00 N ATOM 1633 CA LYS A 99 8.087 4.353 -2.016 1.00 0.00 C ATOM 1634 C LYS A 99 7.012 5.073 -2.820 1.00 0.00 C ATOM 1635 O LYS A 99 6.137 5.734 -2.262 1.00 0.00 O ATOM 1636 CB LYS A 99 9.455 5.030 -2.211 1.00 0.00 C ATOM 1637 CG LYS A 99 9.410 6.394 -2.884 1.00 0.00 C ATOM 1638 CD LYS A 99 8.729 7.432 -2.007 1.00 0.00 C ATOM 1639 CE LYS A 99 9.152 8.843 -2.384 1.00 0.00 C ATOM 1640 NZ LYS A 99 8.705 9.208 -3.756 1.00 0.00 N ATOM 0 H LYS A 99 9.072 2.667 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 99 7.818 4.407 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.932 5.138 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.088 4.370 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.424 6.720 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.879 6.314 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.647 7.337 -2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.974 7.244 -0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.737 9.551 -1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.237 8.926 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.998 10.183 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.135 8.559 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.669 9.138 -3.814 1.00 0.00 H new ATOM 1654 N ASP A 100 7.087 4.936 -4.137 1.00 0.00 N ATOM 1655 CA ASP A 100 6.128 5.569 -5.030 1.00 0.00 C ATOM 1656 C ASP A 100 4.700 5.219 -4.629 1.00 0.00 C ATOM 1657 O ASP A 100 3.767 5.961 -4.919 1.00 0.00 O ATOM 1658 CB ASP A 100 6.385 5.128 -6.471 1.00 0.00 C ATOM 1659 CG ASP A 100 6.648 6.300 -7.398 1.00 0.00 C ATOM 1660 OD1 ASP A 100 7.147 7.338 -6.915 1.00 0.00 O ATOM 1661 OD2 ASP A 100 6.356 6.179 -8.606 1.00 0.00 O ATOM 0 H ASP A 100 7.806 4.389 -4.611 1.00 0.00 H new ATOM 0 HA ASP A 100 6.253 6.649 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.240 4.452 -6.494 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.524 4.567 -6.835 1.00 0.00 H new ATOM 1666 N VAL A 101 4.542 4.077 -3.973 1.00 0.00 N ATOM 1667 CA VAL A 101 3.229 3.615 -3.544 1.00 0.00 C ATOM 1668 C VAL A 101 2.869 4.132 -2.164 1.00 0.00 C ATOM 1669 O VAL A 101 1.883 4.842 -2.011 1.00 0.00 O ATOM 1670 CB VAL A 101 3.160 2.086 -3.570 1.00 0.00 C ATOM 1671 CG1 VAL A 101 1.740 1.602 -3.339 1.00 0.00 C ATOM 1672 CG2 VAL A 101 3.689 1.602 -4.900 1.00 0.00 C ATOM 0 H VAL A 101 5.309 3.452 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 101 2.500 4.016 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 101 3.772 1.679 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.719 0.512 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.390 1.951 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.090 1.994 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.646 0.513 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.081 2.014 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.722 1.929 -5.021 1.00 0.00 H new ATOM 1682 N ASN A 102 3.671 3.808 -1.155 1.00 0.00 N ATOM 1683 CA ASN A 102 3.394 4.299 0.191 1.00 0.00 C ATOM 1684 C ASN A 102 3.146 5.805 0.140 1.00 0.00 C ATOM 1685 O ASN A 102 2.442 6.362 0.980 1.00 0.00 O ATOM 1686 CB ASN A 102 4.549 3.974 1.146 1.00 0.00 C ATOM 1687 CG ASN A 102 5.849 4.668 0.783 1.00 0.00 C ATOM 1688 OD1 ASN A 102 5.856 5.735 0.173 1.00 0.00 O ATOM 1689 ND2 ASN A 102 6.966 4.061 1.172 1.00 0.00 N ATOM 0 H ASN A 102 4.501 3.221 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 102 2.503 3.799 0.571 1.00 0.00 H new ATOM 0 HB2 ASN A 102 4.264 4.260 2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.712 2.896 1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.873 4.480 0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.916 3.176 1.676 1.00 0.00 H new ATOM 1696 N ARG A 103 3.724 6.446 -0.874 1.00 0.00 N ATOM 1697 CA ARG A 103 3.571 7.876 -1.073 1.00 0.00 C ATOM 1698 C ARG A 103 2.284 8.190 -1.831 1.00 0.00 C ATOM 1699 O ARG A 103 1.533 9.084 -1.433 1.00 0.00 O ATOM 1700 CB ARG A 103 4.767 8.437 -1.837 1.00 0.00 C ATOM 1701 CG ARG A 103 5.931 8.821 -0.942 1.00 0.00 C ATOM 1702 CD ARG A 103 5.643 10.103 -0.174 1.00 0.00 C ATOM 1703 NE ARG A 103 6.015 9.993 1.236 1.00 0.00 N ATOM 1704 CZ ARG A 103 6.219 11.041 2.031 1.00 0.00 C ATOM 1705 NH1 ARG A 103 6.090 12.275 1.561 1.00 0.00 N ATOM 1706 NH2 ARG A 103 6.553 10.853 3.300 1.00 0.00 N ATOM 0 H ARG A 103 4.307 5.987 -1.574 1.00 0.00 H new ATOM 0 HA ARG A 103 3.519 8.346 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.105 7.696 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.449 9.313 -2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.134 8.012 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.829 8.951 -1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.189 10.929 -0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.582 10.341 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 103 6.124 9.060 1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.833 12.425 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 103 6.248 13.074 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.653 9.906 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.710 11.655 3.910 1.00 0.00 H new ATOM 1720 N LYS A 104 2.012 7.457 -2.918 1.00 0.00 N ATOM 1721 CA LYS A 104 0.796 7.708 -3.679 1.00 0.00 C ATOM 1722 C LYS A 104 -0.382 7.048 -2.978 1.00 0.00 C ATOM 1723 O LYS A 104 -1.437 7.654 -2.805 1.00 0.00 O ATOM 1724 CB LYS A 104 0.969 7.215 -5.127 1.00 0.00 C ATOM 1725 CG LYS A 104 -0.071 6.212 -5.617 1.00 0.00 C ATOM 1726 CD LYS A 104 0.579 4.983 -6.238 1.00 0.00 C ATOM 1727 CE LYS A 104 1.646 5.354 -7.259 1.00 0.00 C ATOM 1728 NZ LYS A 104 1.083 6.140 -8.391 1.00 0.00 N ATOM 0 H LYS A 104 2.603 6.707 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 104 0.596 8.778 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.952 8.080 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.956 6.761 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.703 5.907 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.720 6.690 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.026 4.374 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.186 4.373 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.430 5.932 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.112 4.446 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.758 6.141 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.188 5.711 -8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.910 7.118 -8.082 1.00 0.00 H new ATOM 1742 N LEU A 105 -0.168 5.807 -2.565 1.00 0.00 N ATOM 1743 CA LEU A 105 -1.173 5.028 -1.861 1.00 0.00 C ATOM 1744 C LEU A 105 -1.617 5.742 -0.582 1.00 0.00 C ATOM 1745 O LEU A 105 -2.793 5.698 -0.212 1.00 0.00 O ATOM 1746 CB LEU A 105 -0.603 3.646 -1.532 1.00 0.00 C ATOM 1747 CG LEU A 105 -1.582 2.663 -0.896 1.00 0.00 C ATOM 1748 CD1 LEU A 105 -1.070 1.238 -1.022 1.00 0.00 C ATOM 1749 CD2 LEU A 105 -1.811 3.022 0.560 1.00 0.00 C ATOM 0 H LEU A 105 0.712 5.311 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.048 4.915 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.217 3.204 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.245 3.773 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.533 2.729 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.783 0.553 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.952 0.986 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.107 1.151 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.511 2.314 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.864 2.981 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.223 4.029 0.626 1.00 0.00 H new ATOM 1761 N SER A 106 -0.674 6.405 0.085 1.00 0.00 N ATOM 1762 CA SER A 106 -0.981 7.129 1.314 1.00 0.00 C ATOM 1763 C SER A 106 -1.974 8.251 1.040 1.00 0.00 C ATOM 1764 O SER A 106 -3.052 8.301 1.633 1.00 0.00 O ATOM 1765 CB SER A 106 0.297 7.710 1.927 1.00 0.00 C ATOM 1766 OG SER A 106 -0.004 8.728 2.865 1.00 0.00 O ATOM 0 H SER A 106 0.303 6.455 -0.204 1.00 0.00 H new ATOM 0 HA SER A 106 -1.426 6.427 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.863 6.917 2.416 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.931 8.114 1.138 1.00 0.00 H new ATOM 0 HG SER A 106 0.828 9.081 3.243 1.00 0.00 H new ATOM 1772 N ASP A 107 -1.599 9.148 0.135 1.00 0.00 N ATOM 1773 CA ASP A 107 -2.448 10.278 -0.232 1.00 0.00 C ATOM 1774 C ASP A 107 -3.869 9.827 -0.549 1.00 0.00 C ATOM 1775 O ASP A 107 -4.834 10.550 -0.302 1.00 0.00 O ATOM 1776 CB ASP A 107 -1.864 10.989 -1.447 1.00 0.00 C ATOM 1777 CG ASP A 107 -0.980 12.161 -1.067 1.00 0.00 C ATOM 1778 OD1 ASP A 107 0.202 11.932 -0.738 1.00 0.00 O ATOM 1779 OD2 ASP A 107 -1.471 13.310 -1.098 1.00 0.00 O ATOM 0 H ASP A 107 -0.708 9.115 -0.361 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.484 10.959 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.285 10.278 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.676 11.342 -2.082 1.00 0.00 H new ATOM 1784 N VAL A 108 -3.983 8.631 -1.109 1.00 0.00 N ATOM 1785 CA VAL A 108 -5.279 8.076 -1.475 1.00 0.00 C ATOM 1786 C VAL A 108 -6.181 7.971 -0.270 1.00 0.00 C ATOM 1787 O VAL A 108 -7.312 8.452 -0.289 1.00 0.00 O ATOM 1788 CB VAL A 108 -5.141 6.678 -2.098 1.00 0.00 C ATOM 1789 CG1 VAL A 108 -6.399 6.290 -2.852 1.00 0.00 C ATOM 1790 CG2 VAL A 108 -3.929 6.619 -2.999 1.00 0.00 C ATOM 0 H VAL A 108 -3.191 8.024 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.713 8.756 -2.208 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.004 5.957 -1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.273 5.296 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.247 6.284 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.582 7.010 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.846 5.622 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.033 7.354 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.033 6.838 -2.418 1.00 0.00 H new ATOM 1800 N TRP A 109 -5.683 7.341 0.786 1.00 0.00 N ATOM 1801 CA TRP A 109 -6.490 7.198 1.993 1.00 0.00 C ATOM 1802 C TRP A 109 -6.807 8.568 2.569 1.00 0.00 C ATOM 1803 O TRP A 109 -7.891 8.793 3.107 1.00 0.00 O ATOM 1804 CB TRP A 109 -5.820 6.333 3.064 1.00 0.00 C ATOM 1805 CG TRP A 109 -6.705 6.174 4.266 1.00 0.00 C ATOM 1806 CD1 TRP A 109 -6.381 6.400 5.573 1.00 0.00 C ATOM 1807 CD2 TRP A 109 -8.085 5.788 4.257 1.00 0.00 C ATOM 1808 NE1 TRP A 109 -7.478 6.175 6.377 1.00 0.00 N ATOM 1809 CE2 TRP A 109 -8.536 5.797 5.589 1.00 0.00 C ATOM 1810 CE3 TRP A 109 -8.981 5.433 3.245 1.00 0.00 C ATOM 1811 CZ2 TRP A 109 -9.851 5.469 5.932 1.00 0.00 C ATOM 1812 CZ3 TRP A 109 -10.278 5.108 3.585 1.00 0.00 C ATOM 1813 CH2 TRP A 109 -10.702 5.130 4.918 1.00 0.00 C ATOM 0 H TRP A 109 -4.750 6.931 0.834 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.407 6.688 1.698 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.586 5.353 2.649 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.875 6.787 3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -5.408 6.710 5.925 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.500 6.273 7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -8.663 5.413 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -10.182 5.483 6.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -10.977 4.832 2.810 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -11.725 4.873 5.151 1.00 0.00 H new ATOM 1824 N LYS A 110 -5.861 9.489 2.439 1.00 0.00 N ATOM 1825 CA LYS A 110 -6.051 10.843 2.931 1.00 0.00 C ATOM 1826 C LYS A 110 -7.233 11.487 2.220 1.00 0.00 C ATOM 1827 O LYS A 110 -7.986 12.255 2.811 1.00 0.00 O ATOM 1828 CB LYS A 110 -4.785 11.671 2.707 1.00 0.00 C ATOM 1829 CG LYS A 110 -3.540 11.065 3.339 1.00 0.00 C ATOM 1830 CD LYS A 110 -2.331 11.974 3.176 1.00 0.00 C ATOM 1831 CE LYS A 110 -1.916 12.596 4.500 1.00 0.00 C ATOM 1832 NZ LYS A 110 -0.805 11.843 5.144 1.00 0.00 N ATOM 0 H LYS A 110 -4.957 9.322 1.998 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.256 10.806 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.620 11.784 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.938 12.671 3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.720 10.885 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.333 10.098 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.499 11.403 2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.562 12.762 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.607 13.628 4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.773 12.624 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.848 11.975 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.896 10.831 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.106 12.196 4.787 1.00 0.00 H new ATOM 1846 N GLU A 111 -7.388 11.155 0.942 1.00 0.00 N ATOM 1847 CA GLU A 111 -8.477 11.689 0.133 1.00 0.00 C ATOM 1848 C GLU A 111 -9.698 10.778 0.180 1.00 0.00 C ATOM 1849 O GLU A 111 -10.826 11.221 -0.025 1.00 0.00 O ATOM 1850 CB GLU A 111 -8.019 11.854 -1.314 1.00 0.00 C ATOM 1851 CG GLU A 111 -8.020 13.300 -1.778 1.00 0.00 C ATOM 1852 CD GLU A 111 -7.959 13.430 -3.288 1.00 0.00 C ATOM 1853 OE1 GLU A 111 -8.858 12.889 -3.966 1.00 0.00 O ATOM 1854 OE2 GLU A 111 -7.014 14.071 -3.790 1.00 0.00 O ATOM 0 H GLU A 111 -6.770 10.515 0.443 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.756 12.659 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.014 11.446 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.670 11.270 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.919 13.795 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.169 13.819 -1.338 1.00 0.00 H new ATOM 1861 N LEU A 112 -9.464 9.503 0.439 1.00 0.00 N ATOM 1862 CA LEU A 112 -10.542 8.527 0.503 1.00 0.00 C ATOM 1863 C LEU A 112 -11.254 8.609 1.848 1.00 0.00 C ATOM 1864 O LEU A 112 -12.483 8.586 1.915 1.00 0.00 O ATOM 1865 CB LEU A 112 -9.994 7.115 0.266 1.00 0.00 C ATOM 1866 CG LEU A 112 -11.049 6.010 0.148 1.00 0.00 C ATOM 1867 CD1 LEU A 112 -12.136 6.396 -0.834 1.00 0.00 C ATOM 1868 CD2 LEU A 112 -10.411 4.710 -0.290 1.00 0.00 C ATOM 0 H LEU A 112 -8.535 9.117 0.609 1.00 0.00 H new ATOM 0 HA LEU A 112 -11.265 8.752 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.398 7.124 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.320 6.864 1.085 1.00 0.00 H new ATOM 0 HG LEU A 112 -11.498 5.877 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.871 5.593 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.625 7.309 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.696 6.563 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.176 3.937 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.934 4.848 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.663 4.407 0.442 1.00 0.00 H new ATOM 1880 N SER A 113 -10.472 8.721 2.914 1.00 0.00 N ATOM 1881 CA SER A 113 -11.019 8.825 4.260 1.00 0.00 C ATOM 1882 C SER A 113 -11.679 10.186 4.465 1.00 0.00 C ATOM 1883 O SER A 113 -12.803 10.270 4.961 1.00 0.00 O ATOM 1884 CB SER A 113 -9.913 8.613 5.299 1.00 0.00 C ATOM 1885 OG SER A 113 -9.410 9.849 5.781 1.00 0.00 O ATOM 0 H SER A 113 -9.453 8.742 2.872 1.00 0.00 H new ATOM 0 HA SER A 113 -11.775 8.050 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.302 8.027 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.101 8.036 4.856 1.00 0.00 H new ATOM 0 HG SER A 113 -8.707 9.680 6.443 1.00 0.00 H new ATOM 1891 N LEU A 114 -10.976 11.251 4.083 1.00 0.00 N ATOM 1892 CA LEU A 114 -11.504 12.601 4.235 1.00 0.00 C ATOM 1893 C LEU A 114 -12.780 12.777 3.412 1.00 0.00 C ATOM 1894 O LEU A 114 -13.676 13.526 3.801 1.00 0.00 O ATOM 1895 CB LEU A 114 -10.416 13.636 3.879 1.00 0.00 C ATOM 1896 CG LEU A 114 -10.646 14.524 2.646 1.00 0.00 C ATOM 1897 CD1 LEU A 114 -10.815 13.683 1.397 1.00 0.00 C ATOM 1898 CD2 LEU A 114 -11.844 15.439 2.845 1.00 0.00 C ATOM 0 H LEU A 114 -10.045 11.204 3.669 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.781 12.768 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.280 14.289 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.478 13.100 3.735 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.763 15.150 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -10.976 14.335 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -9.917 13.086 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.673 13.022 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.983 16.055 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.737 14.837 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.672 16.081 3.709 1.00 0.00 H new ATOM 1910 N LEU A 115 -12.872 12.069 2.287 1.00 0.00 N ATOM 1911 CA LEU A 115 -14.057 12.140 1.438 1.00 0.00 C ATOM 1912 C LEU A 115 -15.186 11.316 2.043 1.00 0.00 C ATOM 1913 O LEU A 115 -16.323 11.778 2.144 1.00 0.00 O ATOM 1914 CB LEU A 115 -13.744 11.625 0.031 1.00 0.00 C ATOM 1915 CG LEU A 115 -13.052 12.630 -0.888 1.00 0.00 C ATOM 1916 CD1 LEU A 115 -12.844 12.037 -2.275 1.00 0.00 C ATOM 1917 CD2 LEU A 115 -13.855 13.920 -0.967 1.00 0.00 C ATOM 0 H LEU A 115 -12.143 11.443 1.945 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.367 13.183 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.113 10.740 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.675 11.308 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.073 12.861 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.350 12.769 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.224 11.144 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -13.810 11.773 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.348 14.625 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -14.849 13.706 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -13.945 14.354 0.029 1.00 0.00 H new ATOM 1929 N LEU A 116 -14.860 10.091 2.446 1.00 0.00 N ATOM 1930 CA LEU A 116 -15.838 9.193 3.044 1.00 0.00 C ATOM 1931 C LEU A 116 -16.548 9.861 4.214 1.00 0.00 C ATOM 1932 O LEU A 116 -17.768 9.769 4.345 1.00 0.00 O ATOM 1933 CB LEU A 116 -15.156 7.906 3.501 1.00 0.00 C ATOM 1934 CG LEU A 116 -15.131 6.802 2.449 1.00 0.00 C ATOM 1935 CD1 LEU A 116 -14.202 5.674 2.870 1.00 0.00 C ATOM 1936 CD2 LEU A 116 -16.539 6.282 2.212 1.00 0.00 C ATOM 0 H LEU A 116 -13.922 9.698 2.368 1.00 0.00 H new ATOM 0 HA LEU A 116 -16.586 8.949 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -14.132 8.136 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -15.666 7.534 4.389 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.749 7.216 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.201 4.899 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.191 6.062 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.547 5.251 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.514 5.494 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.941 5.882 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.174 7.097 1.863 1.00 0.00 H new ATOM 1948 N GLN A 117 -15.781 10.546 5.055 1.00 0.00 N ATOM 1949 CA GLN A 117 -16.350 11.243 6.202 1.00 0.00 C ATOM 1950 C GLN A 117 -17.460 12.188 5.749 1.00 0.00 C ATOM 1951 O GLN A 117 -18.360 12.522 6.517 1.00 0.00 O ATOM 1952 CB GLN A 117 -15.264 12.030 6.939 1.00 0.00 C ATOM 1953 CG GLN A 117 -14.422 11.178 7.873 1.00 0.00 C ATOM 1954 CD GLN A 117 -12.988 11.661 7.968 1.00 0.00 C ATOM 1955 OE1 GLN A 117 -12.705 12.678 8.601 1.00 0.00 O ATOM 1956 NE2 GLN A 117 -12.075 10.934 7.336 1.00 0.00 N ATOM 0 H GLN A 117 -14.769 10.633 4.965 1.00 0.00 H new ATOM 0 HA GLN A 117 -16.771 10.503 6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.611 12.505 6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -15.733 12.829 7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.870 11.183 8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.431 10.145 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -12.355 10.098 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.094 11.211 7.363 1.00 0.00 H new ATOM 1965 N VAL A 118 -17.379 12.619 4.492 1.00 0.00 N ATOM 1966 CA VAL A 118 -18.368 13.526 3.923 1.00 0.00 C ATOM 1967 C VAL A 118 -19.507 12.770 3.251 1.00 0.00 C ATOM 1968 O VAL A 118 -20.676 12.942 3.597 1.00 0.00 O ATOM 1969 CB VAL A 118 -17.730 14.456 2.875 1.00 0.00 C ATOM 1970 CG1 VAL A 118 -18.654 15.620 2.562 1.00 0.00 C ATOM 1971 CG2 VAL A 118 -16.372 14.945 3.346 1.00 0.00 C ATOM 0 H VAL A 118 -16.635 12.352 3.847 1.00 0.00 H new ATOM 0 HA VAL A 118 -18.761 14.111 4.755 1.00 0.00 H new ATOM 0 HB VAL A 118 -17.580 13.889 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -18.186 16.266 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -19.597 15.240 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -18.842 16.190 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -15.939 15.601 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -16.487 15.495 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -15.713 14.091 3.506 1.00 0.00 H new ATOM 1981 N GLU A 119 -19.153 11.952 2.266 1.00 0.00 N ATOM 1982 CA GLU A 119 -20.138 11.185 1.506 1.00 0.00 C ATOM 1983 C GLU A 119 -20.772 10.070 2.335 1.00 0.00 C ATOM 1984 O GLU A 119 -21.993 9.913 2.341 1.00 0.00 O ATOM 1985 CB GLU A 119 -19.488 10.590 0.257 1.00 0.00 C ATOM 1986 CG GLU A 119 -18.740 11.612 -0.585 1.00 0.00 C ATOM 1987 CD GLU A 119 -19.661 12.405 -1.492 1.00 0.00 C ATOM 1988 OE1 GLU A 119 -20.860 12.522 -1.164 1.00 0.00 O ATOM 1989 OE2 GLU A 119 -19.182 12.908 -2.530 1.00 0.00 O ATOM 0 H GLU A 119 -18.188 11.801 1.973 1.00 0.00 H new ATOM 0 HA GLU A 119 -20.932 11.875 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -18.796 9.803 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.258 10.121 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -18.205 12.297 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -17.991 11.101 -1.190 1.00 0.00 H new ATOM 1996 N GLN A 120 -19.946 9.289 3.022 1.00 0.00 N ATOM 1997 CA GLN A 120 -20.450 8.186 3.835 1.00 0.00 C ATOM 1998 C GLN A 120 -20.789 8.641 5.251 1.00 0.00 C ATOM 1999 O GLN A 120 -21.496 7.945 5.981 1.00 0.00 O ATOM 2000 CB GLN A 120 -19.428 7.051 3.886 1.00 0.00 C ATOM 2001 CG GLN A 120 -20.024 5.723 4.326 1.00 0.00 C ATOM 2002 CD GLN A 120 -20.287 4.788 3.163 1.00 0.00 C ATOM 2003 OE1 GLN A 120 -21.433 4.574 2.771 1.00 0.00 O ATOM 2004 NE2 GLN A 120 -19.223 4.224 2.605 1.00 0.00 N ATOM 0 H GLN A 120 -18.932 9.397 3.033 1.00 0.00 H new ATOM 0 HA GLN A 120 -21.366 7.826 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -18.980 6.931 2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -18.625 7.325 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -19.346 5.240 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -20.957 5.906 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -18.290 4.430 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -19.338 3.585 1.819 1.00 0.00 H new ATOM 2013 N ARG A 121 -20.280 9.804 5.639 1.00 0.00 N ATOM 2014 CA ARG A 121 -20.533 10.338 6.971 1.00 0.00 C ATOM 2015 C ARG A 121 -19.987 9.402 8.045 1.00 0.00 C ATOM 2016 O ARG A 121 -20.403 9.463 9.203 1.00 0.00 O ATOM 2017 CB ARG A 121 -22.032 10.557 7.183 1.00 0.00 C ATOM 2018 CG ARG A 121 -22.532 11.888 6.642 1.00 0.00 C ATOM 2019 CD ARG A 121 -24.042 11.884 6.454 1.00 0.00 C ATOM 2020 NE ARG A 121 -24.707 12.836 7.342 1.00 0.00 N ATOM 2021 CZ ARG A 121 -24.981 12.590 8.621 1.00 0.00 C ATOM 2022 NH1 ARG A 121 -24.647 11.428 9.169 1.00 0.00 N ATOM 2023 NH2 ARG A 121 -25.592 13.509 9.357 1.00 0.00 N ATOM 0 H ARG A 121 -19.691 10.394 5.051 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.020 11.296 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.581 9.748 6.701 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.252 10.501 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.252 12.688 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.047 12.100 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.279 12.128 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.428 10.882 6.642 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.977 13.742 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.177 10.716 8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.860 11.247 10.150 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -25.852 14.404 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -25.802 13.320 10.337 1.00 0.00 H new ATOM 2037 N MET A 122 -19.050 8.538 7.659 1.00 0.00 N ATOM 2038 CA MET A 122 -18.452 7.596 8.594 1.00 0.00 C ATOM 2039 C MET A 122 -17.363 8.277 9.418 1.00 0.00 C ATOM 2040 O MET A 122 -16.597 9.087 8.898 1.00 0.00 O ATOM 2041 CB MET A 122 -17.878 6.387 7.845 1.00 0.00 C ATOM 2042 CG MET A 122 -16.604 6.681 7.057 1.00 0.00 C ATOM 2043 SD MET A 122 -15.285 5.496 7.402 1.00 0.00 S ATOM 2044 CE MET A 122 -14.027 6.016 6.235 1.00 0.00 C ATOM 0 H MET A 122 -18.691 8.473 6.706 1.00 0.00 H new ATOM 0 HA MET A 122 -19.230 7.246 9.272 1.00 0.00 H new ATOM 0 HB2 MET A 122 -17.671 5.594 8.564 1.00 0.00 H new ATOM 0 HB3 MET A 122 -18.635 6.006 7.159 1.00 0.00 H new ATOM 0 HG2 MET A 122 -16.830 6.668 5.991 1.00 0.00 H new ATOM 0 HG3 MET A 122 -16.257 7.686 7.297 1.00 0.00 H new ATOM 0 HE1 MET A 122 -13.055 6.027 6.729 1.00 0.00 H new ATOM 0 HE2 MET A 122 -14.000 5.321 5.396 1.00 0.00 H new ATOM 0 HE3 MET A 122 -14.260 7.016 5.870 1.00 0.00 H new ATOM 2054 N PRO A 123 -17.275 7.960 10.721 1.00 0.00 N ATOM 2055 CA PRO A 123 -16.269 8.556 11.594 1.00 0.00 C ATOM 2056 C PRO A 123 -14.895 7.945 11.375 1.00 0.00 C ATOM 2057 O PRO A 123 -14.727 6.726 11.429 1.00 0.00 O ATOM 2058 CB PRO A 123 -16.788 8.233 12.994 1.00 0.00 C ATOM 2059 CG PRO A 123 -17.556 6.967 12.827 1.00 0.00 C ATOM 2060 CD PRO A 123 -18.144 7.008 11.440 1.00 0.00 C ATOM 0 HA PRO A 123 -16.139 9.623 11.412 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.968 8.109 13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -17.421 9.033 13.377 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -16.907 6.100 12.949 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -18.340 6.886 13.579 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.134 6.024 10.971 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -19.181 7.344 11.454 1.00 0.00 H new ATOM 2068 N VAL A 124 -13.916 8.799 11.113 1.00 0.00 N ATOM 2069 CA VAL A 124 -12.558 8.346 10.868 1.00 0.00 C ATOM 2070 C VAL A 124 -11.547 9.209 11.607 1.00 0.00 C ATOM 2071 O VAL A 124 -11.835 10.347 11.976 1.00 0.00 O ATOM 2072 CB VAL A 124 -12.232 8.385 9.367 1.00 0.00 C ATOM 2073 CG1 VAL A 124 -10.921 7.667 9.082 1.00 0.00 C ATOM 2074 CG2 VAL A 124 -13.369 7.783 8.559 1.00 0.00 C ATOM 0 H VAL A 124 -14.039 9.810 11.065 1.00 0.00 H new ATOM 0 HA VAL A 124 -12.492 7.321 11.233 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.117 9.426 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.709 7.707 8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.114 8.153 9.630 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.000 6.627 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.121 7.819 7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -13.521 6.747 8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -14.282 8.351 8.737 1.00 0.00 H new ATOM 2084 N SER A 125 -10.354 8.664 11.802 1.00 0.00 N ATOM 2085 CA SER A 125 -9.288 9.390 12.478 1.00 0.00 C ATOM 2086 C SER A 125 -8.156 9.669 11.498 1.00 0.00 C ATOM 2087 O SER A 125 -8.223 9.251 10.344 1.00 0.00 O ATOM 2088 CB SER A 125 -8.769 8.585 13.674 1.00 0.00 C ATOM 2089 OG SER A 125 -8.841 9.344 14.869 1.00 0.00 O ATOM 0 H SER A 125 -10.100 7.723 11.502 1.00 0.00 H new ATOM 0 HA SER A 125 -9.682 10.337 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 125 -9.354 7.672 13.783 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.738 8.283 13.493 1.00 0.00 H new ATOM 0 HG SER A 125 -8.506 8.808 15.618 1.00 0.00 H new ATOM 2095 N PRO A 126 -7.097 10.373 11.936 1.00 0.00 N ATOM 2096 CA PRO A 126 -5.956 10.683 11.070 1.00 0.00 C ATOM 2097 C PRO A 126 -5.370 9.416 10.461 1.00 0.00 C ATOM 2098 O PRO A 126 -4.374 8.883 10.948 1.00 0.00 O ATOM 2099 CB PRO A 126 -4.951 11.344 12.019 1.00 0.00 C ATOM 2100 CG PRO A 126 -5.773 11.865 13.146 1.00 0.00 C ATOM 2101 CD PRO A 126 -6.925 10.910 13.297 1.00 0.00 C ATOM 0 HA PRO A 126 -6.228 11.319 10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -4.209 10.627 12.370 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -4.408 12.148 11.522 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -5.187 11.918 14.064 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -6.128 12.874 12.936 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -6.703 10.121 14.016 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -7.825 11.416 13.647 1.00 0.00 H new ATOM 2109 N ILE A 127 -6.019 8.926 9.409 1.00 0.00 N ATOM 2110 CA ILE A 127 -5.598 7.704 8.737 1.00 0.00 C ATOM 2111 C ILE A 127 -5.876 6.487 9.619 1.00 0.00 C ATOM 2112 O ILE A 127 -6.613 5.583 9.224 1.00 0.00 O ATOM 2113 CB ILE A 127 -4.104 7.744 8.344 1.00 0.00 C ATOM 2114 CG1 ILE A 127 -3.858 8.884 7.352 1.00 0.00 C ATOM 2115 CG2 ILE A 127 -3.671 6.412 7.743 1.00 0.00 C ATOM 2116 CD1 ILE A 127 -2.424 8.979 6.880 1.00 0.00 C ATOM 0 H ILE A 127 -6.846 9.362 9.002 1.00 0.00 H new ATOM 0 HA ILE A 127 -6.179 7.624 7.818 1.00 0.00 H new ATOM 0 HB ILE A 127 -3.510 7.921 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -4.508 8.748 6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -4.141 9.828 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -2.616 6.460 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.822 5.617 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.264 6.205 6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -2.326 9.809 6.180 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.770 9.146 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.142 8.050 6.384 1.00 0.00 H new ATOM 2128 N SER A 128 -5.293 6.471 10.817 1.00 0.00 N ATOM 2129 CA SER A 128 -5.490 5.365 11.752 1.00 0.00 C ATOM 2130 C SER A 128 -4.849 4.091 11.218 1.00 0.00 C ATOM 2131 O SER A 128 -5.383 2.994 11.386 1.00 0.00 O ATOM 2132 CB SER A 128 -6.981 5.135 12.005 1.00 0.00 C ATOM 2133 OG SER A 128 -7.186 4.306 13.135 1.00 0.00 O ATOM 0 H SER A 128 -4.681 7.211 11.162 1.00 0.00 H new ATOM 0 HA SER A 128 -5.011 5.628 12.695 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.479 6.093 12.158 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.435 4.676 11.127 1.00 0.00 H new ATOM 0 HG SER A 128 -6.724 3.452 13.002 1.00 0.00 H new ATOM 2139 N GLN A 129 -3.703 4.249 10.570 1.00 0.00 N ATOM 2140 CA GLN A 129 -2.979 3.121 9.999 1.00 0.00 C ATOM 2141 C GLN A 129 -1.486 3.431 9.919 1.00 0.00 C ATOM 2142 O GLN A 129 -0.770 2.869 9.091 1.00 0.00 O ATOM 2143 CB GLN A 129 -3.521 2.772 8.603 1.00 0.00 C ATOM 2144 CG GLN A 129 -4.738 3.587 8.182 1.00 0.00 C ATOM 2145 CD GLN A 129 -6.042 2.834 8.355 1.00 0.00 C ATOM 2146 OE1 GLN A 129 -6.176 2.000 9.251 1.00 0.00 O ATOM 2147 NE2 GLN A 129 -7.015 3.129 7.499 1.00 0.00 N ATOM 0 H GLN A 129 -3.252 5.153 10.426 1.00 0.00 H new ATOM 0 HA GLN A 129 -3.126 2.260 10.651 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -2.728 2.920 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -3.781 1.714 8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -4.774 4.505 8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -4.629 3.880 7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -6.860 3.827 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -7.917 2.657 7.569 1.00 0.00 H new ATOM 2156 N GLY A 130 -1.025 4.338 10.781 1.00 0.00 N ATOM 2157 CA GLY A 130 0.378 4.715 10.786 1.00 0.00 C ATOM 2158 C GLY A 130 0.884 5.053 9.398 1.00 0.00 C ATOM 2159 O GLY A 130 1.343 4.176 8.672 1.00 0.00 O ATOM 0 H GLY A 130 -1.599 4.817 11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.519 5.574 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.971 3.898 11.198 1.00 0.00 H new ATOM 2163 N ALA A 131 0.791 6.326 9.025 1.00 0.00 N ATOM 2164 CA ALA A 131 1.231 6.774 7.705 1.00 0.00 C ATOM 2165 C ALA A 131 2.743 6.986 7.640 1.00 0.00 C ATOM 2166 O ALA A 131 3.236 7.697 6.765 1.00 0.00 O ATOM 2167 CB ALA A 131 0.505 8.052 7.318 1.00 0.00 C ATOM 0 H ALA A 131 0.415 7.067 9.617 1.00 0.00 H new ATOM 0 HA ALA A 131 0.984 5.985 6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 131 0.840 8.377 6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -0.569 7.867 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 131 0.722 8.830 8.050 1.00 0.00 H new ATOM 2173 N SER A 132 3.478 6.366 8.557 1.00 0.00 N ATOM 2174 CA SER A 132 4.929 6.496 8.580 1.00 0.00 C ATOM 2175 C SER A 132 5.594 5.426 7.719 1.00 0.00 C ATOM 2176 O SER A 132 6.804 5.215 7.809 1.00 0.00 O ATOM 2177 CB SER A 132 5.446 6.389 10.010 1.00 0.00 C ATOM 2178 OG SER A 132 4.966 7.456 10.811 1.00 0.00 O ATOM 0 H SER A 132 3.094 5.771 9.291 1.00 0.00 H new ATOM 0 HA SER A 132 5.180 7.475 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.134 5.438 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.536 6.395 10.007 1.00 0.00 H new ATOM 0 HG SER A 132 5.312 7.361 11.723 1.00 0.00 H new ATOM 2184 N TRP A 133 4.802 4.748 6.887 1.00 0.00 N ATOM 2185 CA TRP A 133 5.323 3.697 6.013 1.00 0.00 C ATOM 2186 C TRP A 133 6.650 4.111 5.388 1.00 0.00 C ATOM 2187 O TRP A 133 7.643 3.391 5.473 1.00 0.00 O ATOM 2188 CB TRP A 133 4.335 3.375 4.887 1.00 0.00 C ATOM 2189 CG TRP A 133 2.896 3.353 5.305 1.00 0.00 C ATOM 2190 CD1 TRP A 133 2.389 2.940 6.502 1.00 0.00 C ATOM 2191 CD2 TRP A 133 1.775 3.753 4.510 1.00 0.00 C ATOM 2192 NE1 TRP A 133 1.019 3.057 6.498 1.00 0.00 N ATOM 2193 CE2 TRP A 133 0.619 3.556 5.287 1.00 0.00 C ATOM 2194 CE3 TRP A 133 1.638 4.261 3.217 1.00 0.00 C ATOM 2195 CZ2 TRP A 133 -0.657 3.847 4.811 1.00 0.00 C ATOM 2196 CZ3 TRP A 133 0.372 4.551 2.745 1.00 0.00 C ATOM 2197 CH2 TRP A 133 -0.761 4.342 3.539 1.00 0.00 C ATOM 0 H TRP A 133 3.798 4.908 6.800 1.00 0.00 H new ATOM 0 HA TRP A 133 5.471 2.813 6.633 1.00 0.00 H new ATOM 0 HB2 TRP A 133 4.457 4.111 4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.591 2.404 4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 133 2.977 2.575 7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 133 0.401 2.812 7.271 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.506 4.425 2.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -1.532 3.688 5.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 0.255 4.946 1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -1.737 4.576 3.140 1.00 0.00 H new ATOM 2208 N ALA A 134 6.646 5.276 4.752 1.00 0.00 N ATOM 2209 CA ALA A 134 7.834 5.801 4.094 1.00 0.00 C ATOM 2210 C ALA A 134 9.008 5.917 5.061 1.00 0.00 C ATOM 2211 O ALA A 134 10.163 5.749 4.670 1.00 0.00 O ATOM 2212 CB ALA A 134 7.523 7.148 3.463 1.00 0.00 C ATOM 0 H ALA A 134 5.826 5.878 4.678 1.00 0.00 H new ATOM 0 HA ALA A 134 8.126 5.100 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.416 7.535 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 134 6.727 7.030 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 134 7.202 7.846 4.236 1.00 0.00 H new ATOM 2218 N GLN A 135 8.709 6.203 6.323 1.00 0.00 N ATOM 2219 CA GLN A 135 9.748 6.337 7.337 1.00 0.00 C ATOM 2220 C GLN A 135 10.487 5.017 7.535 1.00 0.00 C ATOM 2221 O GLN A 135 11.718 4.977 7.534 1.00 0.00 O ATOM 2222 CB GLN A 135 9.141 6.799 8.663 1.00 0.00 C ATOM 2223 CG GLN A 135 8.342 8.088 8.550 1.00 0.00 C ATOM 2224 CD GLN A 135 9.226 9.305 8.357 1.00 0.00 C ATOM 2225 OE1 GLN A 135 9.409 9.782 7.237 1.00 0.00 O ATOM 2226 NE2 GLN A 135 9.779 9.815 9.451 1.00 0.00 N ATOM 0 H GLN A 135 7.760 6.346 6.667 1.00 0.00 H new ATOM 0 HA GLN A 135 10.462 7.085 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 135 8.493 6.012 9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.941 6.940 9.390 1.00 0.00 H new ATOM 0 HG2 GLN A 135 7.649 8.010 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.741 8.219 9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 135 9.600 9.387 10.360 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.383 10.634 9.383 1.00 0.00 H new ATOM 2235 N GLU A 136 9.728 3.940 7.704 1.00 0.00 N ATOM 2236 CA GLU A 136 10.310 2.617 7.904 1.00 0.00 C ATOM 2237 C GLU A 136 10.734 2.001 6.574 1.00 0.00 C ATOM 2238 O GLU A 136 11.721 1.269 6.505 1.00 0.00 O ATOM 2239 CB GLU A 136 9.310 1.699 8.608 1.00 0.00 C ATOM 2240 CG GLU A 136 9.382 1.771 10.124 1.00 0.00 C ATOM 2241 CD GLU A 136 8.019 1.656 10.779 1.00 0.00 C ATOM 2242 OE1 GLU A 136 7.526 0.518 10.927 1.00 0.00 O ATOM 2243 OE2 GLU A 136 7.446 2.704 11.144 1.00 0.00 O ATOM 0 H GLU A 136 8.708 3.957 7.707 1.00 0.00 H new ATOM 0 HA GLU A 136 11.195 2.728 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 136 8.301 1.960 8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 136 9.488 0.671 8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 136 10.026 0.972 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 136 9.844 2.714 10.418 1.00 0.00 H new ATOM 2250 N ASP A 137 9.983 2.304 5.521 1.00 0.00 N ATOM 2251 CA ASP A 137 10.279 1.785 4.194 1.00 0.00 C ATOM 2252 C ASP A 137 11.655 2.240 3.734 1.00 0.00 C ATOM 2253 O ASP A 137 12.458 1.437 3.256 1.00 0.00 O ATOM 2254 CB ASP A 137 9.222 2.257 3.200 1.00 0.00 C ATOM 2255 CG ASP A 137 9.030 1.294 2.048 1.00 0.00 C ATOM 2256 OD1 ASP A 137 9.628 0.199 2.083 1.00 0.00 O ATOM 2257 OD2 ASP A 137 8.280 1.635 1.108 1.00 0.00 O ATOM 0 H ASP A 137 9.162 2.909 5.563 1.00 0.00 H new ATOM 0 HA ASP A 137 10.269 0.696 4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 137 8.273 2.388 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 137 9.508 3.233 2.808 1.00 0.00 H new ATOM 2262 N GLN A 138 11.921 3.533 3.878 1.00 0.00 N ATOM 2263 CA GLN A 138 13.202 4.090 3.472 1.00 0.00 C ATOM 2264 C GLN A 138 14.322 3.537 4.338 1.00 0.00 C ATOM 2265 O GLN A 138 15.401 3.218 3.842 1.00 0.00 O ATOM 2266 CB GLN A 138 13.176 5.615 3.542 1.00 0.00 C ATOM 2267 CG GLN A 138 13.089 6.166 4.952 1.00 0.00 C ATOM 2268 CD GLN A 138 12.841 7.666 4.987 1.00 0.00 C ATOM 2269 OE1 GLN A 138 12.346 8.196 5.981 1.00 0.00 O ATOM 2270 NE2 GLN A 138 13.183 8.361 3.903 1.00 0.00 N ATOM 0 H GLN A 138 11.269 4.211 4.271 1.00 0.00 H new ATOM 0 HA GLN A 138 13.388 3.799 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 138 14.075 6.006 3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 138 12.325 5.980 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 138 12.287 5.658 5.486 1.00 0.00 H new ATOM 0 HG3 GLN A 138 14.015 5.944 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 138 13.591 7.884 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 138 13.037 9.370 3.877 1.00 0.00 H new ATOM 2279 N GLN A 139 14.057 3.406 5.632 1.00 0.00 N ATOM 2280 CA GLN A 139 15.046 2.867 6.553 1.00 0.00 C ATOM 2281 C GLN A 139 15.475 1.483 6.086 1.00 0.00 C ATOM 2282 O GLN A 139 16.653 1.128 6.143 1.00 0.00 O ATOM 2283 CB GLN A 139 14.478 2.794 7.971 1.00 0.00 C ATOM 2284 CG GLN A 139 14.725 4.050 8.790 1.00 0.00 C ATOM 2285 CD GLN A 139 13.771 4.181 9.961 1.00 0.00 C ATOM 2286 OE1 GLN A 139 13.724 3.319 10.839 1.00 0.00 O ATOM 2287 NE2 GLN A 139 13.002 5.264 9.980 1.00 0.00 N ATOM 0 H GLN A 139 13.170 3.664 6.064 1.00 0.00 H new ATOM 0 HA GLN A 139 15.913 3.528 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 139 13.405 2.612 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 139 14.919 1.941 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 139 15.750 4.042 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 139 14.626 4.924 8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 139 13.074 5.953 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 139 12.340 5.406 10.743 1.00 0.00 H new ATOM 2296 N ASP A 140 14.505 0.713 5.599 1.00 0.00 N ATOM 2297 CA ASP A 140 14.772 -0.629 5.098 1.00 0.00 C ATOM 2298 C ASP A 140 15.274 -0.569 3.659 1.00 0.00 C ATOM 2299 O ASP A 140 16.009 -1.446 3.214 1.00 0.00 O ATOM 2300 CB ASP A 140 13.510 -1.488 5.178 1.00 0.00 C ATOM 2301 CG ASP A 140 12.942 -1.552 6.582 1.00 0.00 C ATOM 2302 OD1 ASP A 140 13.738 -1.577 7.544 1.00 0.00 O ATOM 2303 OD2 ASP A 140 11.701 -1.576 6.720 1.00 0.00 O ATOM 0 H ASP A 140 13.527 0.997 5.541 1.00 0.00 H new ATOM 0 HA ASP A 140 15.544 -1.082 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 140 12.756 -1.085 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 140 13.738 -2.497 4.835 1.00 0.00 H new ATOM 2308 N ALA A 141 14.879 0.482 2.944 1.00 0.00 N ATOM 2309 CA ALA A 141 15.289 0.675 1.559 1.00 0.00 C ATOM 2310 C ALA A 141 16.740 1.122 1.496 1.00 0.00 C ATOM 2311 O ALA A 141 17.588 0.439 0.923 1.00 0.00 O ATOM 2312 CB ALA A 141 14.390 1.695 0.873 1.00 0.00 C ATOM 0 H ALA A 141 14.271 1.217 3.306 1.00 0.00 H new ATOM 0 HA ALA A 141 15.194 -0.276 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 141 14.711 1.826 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 141 13.359 1.341 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 141 14.455 2.648 1.397 1.00 0.00 H new ATOM 2318 N ASP A 142 17.023 2.269 2.106 1.00 0.00 N ATOM 2319 CA ASP A 142 18.378 2.800 2.138 1.00 0.00 C ATOM 2320 C ASP A 142 19.329 1.752 2.697 1.00 0.00 C ATOM 2321 O ASP A 142 20.479 1.648 2.272 1.00 0.00 O ATOM 2322 CB ASP A 142 18.437 4.070 2.988 1.00 0.00 C ATOM 2323 CG ASP A 142 19.671 4.903 2.701 1.00 0.00 C ATOM 2324 OD1 ASP A 142 20.780 4.470 3.077 1.00 0.00 O ATOM 2325 OD2 ASP A 142 19.528 5.988 2.098 1.00 0.00 O ATOM 0 H ASP A 142 16.331 2.847 2.584 1.00 0.00 H new ATOM 0 HA ASP A 142 18.680 3.052 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 142 17.546 4.670 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 142 18.423 3.798 4.043 1.00 0.00 H new ATOM 2330 N GLU A 143 18.828 0.963 3.646 1.00 0.00 N ATOM 2331 CA GLU A 143 19.621 -0.093 4.256 1.00 0.00 C ATOM 2332 C GLU A 143 19.621 -1.337 3.375 1.00 0.00 C ATOM 2333 O GLU A 143 20.597 -2.085 3.346 1.00 0.00 O ATOM 2334 CB GLU A 143 19.078 -0.435 5.644 1.00 0.00 C ATOM 2335 CG GLU A 143 19.414 0.603 6.702 1.00 0.00 C ATOM 2336 CD GLU A 143 19.132 0.114 8.109 1.00 0.00 C ATOM 2337 OE1 GLU A 143 17.986 -0.304 8.373 1.00 0.00 O ATOM 2338 OE2 GLU A 143 20.058 0.150 8.947 1.00 0.00 O ATOM 0 H GLU A 143 17.877 1.038 4.006 1.00 0.00 H new ATOM 0 HA GLU A 143 20.646 0.264 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 143 17.995 -0.544 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 143 19.479 -1.400 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 143 20.467 0.873 6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 143 18.837 1.508 6.514 1.00 0.00 H new ATOM 2345 N ASP A 144 18.522 -1.554 2.652 1.00 0.00 N ATOM 2346 CA ASP A 144 18.415 -2.714 1.769 1.00 0.00 C ATOM 2347 C ASP A 144 19.512 -2.691 0.709 1.00 0.00 C ATOM 2348 O ASP A 144 20.267 -3.651 0.559 1.00 0.00 O ATOM 2349 CB ASP A 144 17.043 -2.756 1.093 1.00 0.00 C ATOM 2350 CG ASP A 144 16.107 -3.754 1.749 1.00 0.00 C ATOM 2351 OD1 ASP A 144 16.518 -4.918 1.934 1.00 0.00 O ATOM 2352 OD2 ASP A 144 14.964 -3.372 2.076 1.00 0.00 O ATOM 0 H ASP A 144 17.701 -0.948 2.660 1.00 0.00 H new ATOM 0 HA ASP A 144 18.535 -3.609 2.379 1.00 0.00 H new ATOM 0 HB2 ASP A 144 16.594 -1.764 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 144 17.167 -3.014 0.041 1.00 0.00 H new ATOM 2357 N ARG A 145 19.592 -1.586 -0.025 1.00 0.00 N ATOM 2358 CA ARG A 145 20.594 -1.432 -1.073 1.00 0.00 C ATOM 2359 C ARG A 145 22.001 -1.437 -0.484 1.00 0.00 C ATOM 2360 O ARG A 145 22.924 -2.015 -1.059 1.00 0.00 O ATOM 2361 CB ARG A 145 20.356 -0.138 -1.851 1.00 0.00 C ATOM 2362 CG ARG A 145 20.294 1.098 -0.968 1.00 0.00 C ATOM 2363 CD ARG A 145 19.287 2.109 -1.493 1.00 0.00 C ATOM 2364 NE ARG A 145 19.768 3.482 -1.359 1.00 0.00 N ATOM 2365 CZ ARG A 145 19.218 4.524 -1.977 1.00 0.00 C ATOM 2366 NH1 ARG A 145 18.168 4.355 -2.770 1.00 0.00 N ATOM 2367 NH2 ARG A 145 19.719 5.738 -1.800 1.00 0.00 N ATOM 0 H ARG A 145 18.974 -0.783 0.087 1.00 0.00 H new ATOM 0 HA ARG A 145 20.503 -2.277 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 145 21.153 -0.012 -2.583 1.00 0.00 H new ATOM 0 HB3 ARG A 145 19.423 -0.224 -2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 145 20.024 0.808 0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 145 21.280 1.559 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 145 19.076 1.900 -2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 145 18.348 2.000 -0.951 1.00 0.00 H new ATOM 0 HE ARG A 145 20.573 3.652 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 145 17.778 3.423 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 145 17.750 5.157 -3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 145 20.526 5.873 -1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 145 19.298 6.537 -2.273 1.00 0.00 H new