USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 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 96 ASN :FLIP amide:sc= 0.223 F(o=-4.5!,f=1.2) USER MOD Set 1.2: B1016 ASN : amide:sc= 1 K(o=1.2,f=0.036) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -2.2 F(o=-9.8!,f=-3.4) USER MOD Set 2.2: A 157 ASN : amide:sc= -1.15 K(o=-3.4,f=-10!) USER MOD Set 3.1: A 5 ASN : amide:sc= -2.39 K(o=-2.1,f=-6.2!) USER MOD Set 3.2: A 135 ASN : amide:sc= 0.266 X(o=-2.1,f=-2.4) USER MOD Set 4.1: A 61 TYR OH : rot 180:sc= 0.631 USER MOD Set 4.2: A 105 SER OG : rot 51:sc= -0.0783 USER MOD Set 5.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 41 THR OG1 : rot -170:sc= 0 USER MOD Set 6.1: A 16 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.616) USER MOD Set 6.2: A 19 GLN : amide:sc= 0.0635 K(o=1.2,f=0.38) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.35 (180deg=0.947) USER MOD Single : A 2 SER OG : rot 18:sc= 1.31 USER MOD Single : A 3 GLN : amide:sc= -0.19 K(o=-0.19,f=-0.75) USER MOD Single : A 4 SER OG : rot 177:sc= 0.174 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -5:sc= 0.368 USER MOD Single : A 26 GLN : amide:sc= 0.298 K(o=0.3,f=-2.7!) USER MOD Single : A 28 SER OG : rot 142:sc= 1.29 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.025 F(o=-0.68,f=-0.025) USER MOD Single : A 35 THR OG1 : rot 52:sc= 0.0247 USER MOD Single : A 43 SER OG : rot -165:sc= 0.603 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0.661 (180deg=0.525) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0592 USER MOD Single : A 69 THR OG1 : rot -91:sc= 0.44 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.325 F(o=-1.9,f=-0.33) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 40:sc= -4.03! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00132 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0789 F(o=-2.1!,f=-0.079) USER MOD Single : A 82 SER OG : rot -109:sc= 0.785 USER MOD Single : A 85 GLN : amide:sc= -2.26! C(o=-2.3!,f=-4.5!) USER MOD Single : A 88 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.16) USER MOD Single : A 111 CYS SG : rot 168:sc= -9.45! USER MOD Single : A 114 SER OG : rot 70:sc= 0.733 USER MOD Single : A 117 LYS NZ :NH3+ 142:sc= 2.46 (180deg=-0.759) USER MOD Single : A 119 MET CE :methyl -150:sc= -6.57! (180deg=-9.93!) USER MOD Single : A 120 GLN :FLIP amide:sc= -1.92 F(o=-2.7!,f=-1.9) USER MOD Single : A 124 SER OG : rot -139:sc= -0.132 USER MOD Single : A 130 MET CE :methyl 172:sc= -5.1! (180deg=-5.6!) USER MOD Single : A 132 THR OG1 : rot 79:sc= 0.905 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.52) USER MOD Single : A 145 ASN :FLIP amide:sc= -2.78! C(o=-5.2!,f=-2.8!) USER MOD Single : A 150 THR OG1 : rot -170:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= -1.95! C(o=-2!,f=-3.4!) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 173 HIS : no HD1:sc= -0.0975 X(o=-0.098,f=0) USER MOD Single : A 174 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 176 HIS : no HD1:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 177 HIS : no HE2:sc= 0.912 K(o=0.91,f=-4.7!) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : B1100 33B O62 : rot 180:sc= -4.84! USER MOD Single : B1100 33B O72 : rot 22:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.169 8.967 12.375 1.00 4.13 N ATOM 2 CA MET A 1 4.911 9.678 12.695 1.00 3.61 C ATOM 3 C MET A 1 3.811 8.670 12.999 1.00 2.48 C ATOM 4 O MET A 1 4.085 7.483 13.160 1.00 2.89 O ATOM 5 CB MET A 1 4.496 10.578 11.529 1.00 4.18 C ATOM 6 CG MET A 1 5.506 11.668 11.210 1.00 4.89 C ATOM 7 SD MET A 1 5.795 12.779 12.600 1.00 5.86 S ATOM 8 CE MET A 1 7.034 13.870 11.904 1.00 6.21 C ATOM 0 H1 MET A 1 6.980 9.566 12.629 1.00 4.13 H new ATOM 0 H2 MET A 1 6.212 8.079 12.914 1.00 4.13 H new ATOM 0 H3 MET A 1 6.199 8.756 11.357 1.00 4.13 H new ATOM 0 HA MET A 1 5.073 10.303 13.573 1.00 3.61 H new ATOM 0 HB2 MET A 1 4.346 9.963 10.642 1.00 4.18 H new ATOM 0 HB3 MET A 1 3.537 11.040 11.762 1.00 4.18 H new ATOM 0 HG2 MET A 1 6.449 11.208 10.916 1.00 4.89 H new ATOM 0 HG3 MET A 1 5.153 12.246 10.356 1.00 4.89 H new ATOM 0 HE1 MET A 1 7.318 14.617 12.645 1.00 6.21 H new ATOM 0 HE2 MET A 1 7.911 13.289 11.619 1.00 6.21 H new ATOM 0 HE3 MET A 1 6.627 14.368 11.024 1.00 6.21 H new ATOM 20 N SER A 2 2.573 9.135 13.093 1.00 1.64 N ATOM 21 CA SER A 2 1.462 8.247 13.400 1.00 0.95 C ATOM 22 C SER A 2 0.283 8.481 12.457 1.00 0.84 C ATOM 23 O SER A 2 -0.541 7.597 12.256 1.00 1.03 O ATOM 24 CB SER A 2 1.027 8.438 14.855 1.00 1.55 C ATOM 25 OG SER A 2 -0.006 7.534 15.212 1.00 1.87 O ATOM 0 H SER A 2 2.315 10.113 12.962 1.00 1.64 H new ATOM 0 HA SER A 2 1.800 7.220 13.259 1.00 0.95 H new ATOM 0 HB2 SER A 2 1.883 8.292 15.514 1.00 1.55 H new ATOM 0 HB3 SER A 2 0.683 9.462 15.001 1.00 1.55 H new ATOM 0 HG SER A 2 -0.038 6.801 14.563 1.00 1.87 H new ATOM 31 N GLN A 3 0.196 9.673 11.883 1.00 0.73 N ATOM 32 CA GLN A 3 -0.889 9.988 10.960 1.00 0.73 C ATOM 33 C GLN A 3 -0.414 9.881 9.510 1.00 0.61 C ATOM 34 O GLN A 3 -1.176 10.098 8.570 1.00 0.64 O ATOM 35 CB GLN A 3 -1.444 11.379 11.251 1.00 0.83 C ATOM 36 CG GLN A 3 -2.790 11.628 10.598 1.00 1.13 C ATOM 37 CD GLN A 3 -3.877 10.695 11.102 1.00 1.76 C ATOM 38 OE1 GLN A 3 -3.842 10.228 12.241 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.860 10.430 10.256 1.00 2.22 N ATOM 0 H GLN A 3 0.858 10.434 12.038 1.00 0.73 H new ATOM 0 HA GLN A 3 -1.689 9.262 11.104 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.540 11.508 12.329 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -0.733 12.128 10.903 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.091 12.660 10.781 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.691 11.512 9.519 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.852 10.837 9.321 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.626 9.819 10.539 1.00 2.22 H new ATOM 48 N SER A 4 0.847 9.510 9.338 1.00 0.55 N ATOM 49 CA SER A 4 1.442 9.376 8.013 1.00 0.52 C ATOM 50 C SER A 4 0.884 8.159 7.271 1.00 0.45 C ATOM 51 O SER A 4 1.076 8.007 6.062 1.00 0.46 O ATOM 52 CB SER A 4 2.962 9.280 8.153 1.00 0.61 C ATOM 53 OG SER A 4 3.312 8.518 9.300 1.00 1.25 O ATOM 0 H SER A 4 1.483 9.295 10.106 1.00 0.55 H new ATOM 0 HA SER A 4 1.188 10.256 7.421 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.386 8.820 7.261 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.389 10.280 8.230 1.00 0.61 H new ATOM 0 HG SER A 4 4.286 8.423 9.345 1.00 1.25 H new ATOM 59 N ASN A 5 0.180 7.305 8.007 1.00 0.43 N ATOM 60 CA ASN A 5 -0.482 6.141 7.428 1.00 0.39 C ATOM 61 C ASN A 5 -1.607 6.561 6.493 1.00 0.35 C ATOM 62 O ASN A 5 -1.975 5.823 5.578 1.00 0.35 O ATOM 63 CB ASN A 5 -1.028 5.223 8.525 1.00 0.40 C ATOM 64 CG ASN A 5 -1.609 5.977 9.700 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.159 7.069 9.552 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.478 5.402 10.885 1.00 0.53 N ATOM 0 H ASN A 5 0.053 7.399 9.015 1.00 0.43 H new ATOM 0 HA ASN A 5 0.261 5.592 6.850 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.797 4.578 8.100 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.227 4.574 8.879 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.840 5.865 11.719 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.016 4.496 10.964 1.00 0.53 H new ATOM 73 N ARG A 6 -2.147 7.749 6.732 1.00 0.35 N ATOM 74 CA ARG A 6 -3.168 8.323 5.870 1.00 0.34 C ATOM 75 C ARG A 6 -2.677 8.394 4.432 1.00 0.31 C ATOM 76 O ARG A 6 -3.350 7.936 3.510 1.00 0.30 O ATOM 77 CB ARG A 6 -3.538 9.725 6.359 1.00 0.41 C ATOM 78 CG ARG A 6 -4.366 10.518 5.360 1.00 0.59 C ATOM 79 CD ARG A 6 -5.691 9.835 5.049 1.00 0.41 C ATOM 80 NE ARG A 6 -6.643 9.950 6.152 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.287 11.077 6.460 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.108 12.177 5.738 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.123 11.099 7.484 1.00 0.93 N ATOM 0 H ARG A 6 -1.890 8.338 7.524 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.050 7.683 5.907 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.094 9.640 7.293 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.624 10.277 6.580 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.556 11.515 5.757 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -3.798 10.645 4.438 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.123 10.276 4.151 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.513 8.782 4.833 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.825 9.122 6.718 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -6.473 12.165 4.940 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -7.605 13.034 5.982 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -8.275 10.255 8.037 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.616 11.960 7.721 1.00 0.93 H new ATOM 97 N GLU A 7 -1.492 8.952 4.264 1.00 0.30 N ATOM 98 CA GLU A 7 -0.910 9.157 2.949 1.00 0.29 C ATOM 99 C GLU A 7 -0.749 7.841 2.215 1.00 0.25 C ATOM 100 O GLU A 7 -1.122 7.717 1.052 1.00 0.26 O ATOM 101 CB GLU A 7 0.455 9.796 3.095 1.00 0.31 C ATOM 102 CG GLU A 7 0.448 11.055 3.923 1.00 0.40 C ATOM 103 CD GLU A 7 1.848 11.527 4.205 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.589 11.825 3.248 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.189 11.672 5.391 1.00 0.53 O ATOM 0 H GLU A 7 -0.906 9.276 5.034 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.578 9.803 2.380 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.137 9.077 3.549 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.847 10.025 2.104 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.103 11.835 3.399 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.074 10.873 4.863 1.00 0.40 H new ATOM 112 N LEU A 8 -0.155 6.877 2.910 1.00 0.26 N ATOM 113 CA LEU A 8 0.031 5.533 2.408 1.00 0.27 C ATOM 114 C LEU A 8 -1.258 4.984 1.804 1.00 0.28 C ATOM 115 O LEU A 8 -1.237 4.324 0.770 1.00 0.40 O ATOM 116 CB LEU A 8 0.498 4.659 3.567 1.00 0.34 C ATOM 117 CG LEU A 8 1.954 4.857 4.037 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.553 6.211 3.639 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.047 4.668 5.542 1.00 1.16 C ATOM 0 H LEU A 8 0.214 7.016 3.851 1.00 0.26 H new ATOM 0 HA LEU A 8 0.777 5.537 1.613 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.162 4.838 4.416 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.372 3.615 3.279 1.00 0.34 H new ATOM 0 HG LEU A 8 2.546 4.099 3.524 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.578 6.277 4.004 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.548 6.306 2.553 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.960 7.014 4.076 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.079 4.810 5.863 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.408 5.397 6.040 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.721 3.661 5.803 1.00 1.16 H new ATOM 131 N VAL A 9 -2.379 5.282 2.448 1.00 0.23 N ATOM 132 CA VAL A 9 -3.680 4.879 1.944 1.00 0.23 C ATOM 133 C VAL A 9 -4.062 5.724 0.733 1.00 0.23 C ATOM 134 O VAL A 9 -4.227 5.211 -0.375 1.00 0.24 O ATOM 135 CB VAL A 9 -4.753 5.024 3.041 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.152 4.843 2.472 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.497 4.024 4.155 1.00 0.27 C ATOM 0 H VAL A 9 -2.410 5.804 3.324 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.623 3.832 1.645 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.689 6.033 3.449 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.886 4.951 3.270 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.334 5.598 1.707 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.240 3.850 2.030 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.260 4.134 4.925 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.533 3.012 3.751 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.514 4.207 4.589 1.00 0.27 H new ATOM 147 N VAL A 10 -4.185 7.023 0.968 1.00 0.23 N ATOM 148 CA VAL A 10 -4.621 7.979 -0.049 1.00 0.25 C ATOM 149 C VAL A 10 -3.855 7.848 -1.360 1.00 0.25 C ATOM 150 O VAL A 10 -4.465 7.785 -2.431 1.00 0.27 O ATOM 151 CB VAL A 10 -4.471 9.414 0.472 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.856 10.425 -0.588 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.315 9.596 1.710 1.00 0.32 C ATOM 0 H VAL A 10 -3.985 7.449 1.873 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.667 7.751 -0.253 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.424 9.583 0.724 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.739 11.433 -0.189 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.212 10.303 -1.459 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.894 10.268 -0.880 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.206 10.616 2.078 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.361 9.407 1.468 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.988 8.896 2.479 1.00 0.32 H new ATOM 163 N ASP A 11 -2.527 7.808 -1.274 1.00 0.26 N ATOM 164 CA ASP A 11 -1.675 7.770 -2.463 1.00 0.28 C ATOM 165 C ASP A 11 -2.079 6.625 -3.383 1.00 0.31 C ATOM 166 O ASP A 11 -2.075 6.768 -4.610 1.00 0.35 O ATOM 167 CB ASP A 11 -0.202 7.620 -2.070 1.00 0.32 C ATOM 168 CG ASP A 11 0.733 7.738 -3.261 1.00 0.39 C ATOM 169 OD1 ASP A 11 1.104 8.871 -3.633 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.098 6.691 -3.835 1.00 0.49 O ATOM 0 H ASP A 11 -2.016 7.801 -0.391 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.806 8.712 -2.995 1.00 0.28 H new ATOM 0 HB2 ASP A 11 0.054 8.383 -1.334 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.054 6.652 -1.591 1.00 0.32 H new ATOM 175 N PHE A 12 -2.462 5.504 -2.791 1.00 0.32 N ATOM 176 CA PHE A 12 -2.829 4.343 -3.573 1.00 0.38 C ATOM 177 C PHE A 12 -4.234 4.486 -4.134 1.00 0.34 C ATOM 178 O PHE A 12 -4.460 4.188 -5.306 1.00 0.39 O ATOM 179 CB PHE A 12 -2.727 3.069 -2.747 1.00 0.46 C ATOM 180 CG PHE A 12 -2.640 1.830 -3.593 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.461 1.512 -4.248 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.730 0.991 -3.737 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.371 0.378 -5.029 1.00 1.61 C ATOM 184 CE2 PHE A 12 -3.646 -0.144 -4.517 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.465 -0.452 -5.163 1.00 1.61 C ATOM 0 H PHE A 12 -2.525 5.378 -1.781 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.126 4.274 -4.404 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.848 3.127 -2.105 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.595 2.996 -2.092 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.603 2.159 -4.146 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.656 1.227 -3.234 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.446 0.141 -5.534 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -4.504 -0.792 -4.622 1.00 1.38 H new ATOM 0 HZ PHE A 12 -2.398 -1.341 -5.772 1.00 1.61 H new ATOM 195 N LEU A 13 -5.182 4.946 -3.311 1.00 0.28 N ATOM 196 CA LEU A 13 -6.540 5.159 -3.795 1.00 0.28 C ATOM 197 C LEU A 13 -6.527 6.138 -4.963 1.00 0.30 C ATOM 198 O LEU A 13 -7.182 5.912 -5.978 1.00 0.34 O ATOM 199 CB LEU A 13 -7.473 5.668 -2.683 1.00 0.25 C ATOM 200 CG LEU A 13 -8.071 4.580 -1.780 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.107 4.157 -0.699 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.380 5.044 -1.167 1.00 0.27 C ATOM 0 H LEU A 13 -5.035 5.173 -2.327 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.928 4.197 -4.131 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.919 6.370 -2.060 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.289 6.225 -3.143 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.267 3.712 -2.409 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.568 3.386 -0.082 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.199 3.762 -1.155 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.856 5.017 -0.078 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.784 4.256 -0.532 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.205 5.938 -0.569 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.093 5.272 -1.960 1.00 0.27 H new ATOM 214 N SER A 14 -5.736 7.195 -4.822 1.00 0.29 N ATOM 215 CA SER A 14 -5.581 8.195 -5.868 1.00 0.33 C ATOM 216 C SER A 14 -5.059 7.553 -7.152 1.00 0.37 C ATOM 217 O SER A 14 -5.568 7.812 -8.245 1.00 0.42 O ATOM 218 CB SER A 14 -4.615 9.288 -5.399 1.00 0.33 C ATOM 219 OG SER A 14 -4.559 10.368 -6.320 1.00 1.05 O ATOM 0 H SER A 14 -5.187 7.381 -3.983 1.00 0.29 H new ATOM 0 HA SER A 14 -6.555 8.638 -6.075 1.00 0.33 H new ATOM 0 HB2 SER A 14 -4.929 9.658 -4.423 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.619 8.864 -5.274 1.00 0.33 H new ATOM 0 HG SER A 14 -3.935 11.048 -5.990 1.00 1.05 H new ATOM 225 N TYR A 15 -4.056 6.695 -7.007 1.00 0.37 N ATOM 226 CA TYR A 15 -3.439 6.039 -8.150 1.00 0.45 C ATOM 227 C TYR A 15 -4.401 5.033 -8.785 1.00 0.43 C ATOM 228 O TYR A 15 -4.353 4.790 -9.990 1.00 0.55 O ATOM 229 CB TYR A 15 -2.139 5.343 -7.727 1.00 0.52 C ATOM 230 CG TYR A 15 -1.334 4.794 -8.885 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.466 5.607 -9.599 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.442 3.461 -9.262 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.272 5.110 -10.656 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.706 2.956 -10.319 1.00 1.06 C ATOM 235 CZ TYR A 15 0.141 3.781 -11.016 1.00 1.03 C ATOM 236 OH TYR A 15 0.889 3.291 -12.064 1.00 1.22 O ATOM 0 H TYR A 15 -3.653 6.438 -6.106 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.202 6.800 -8.894 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.523 6.051 -7.172 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.380 4.527 -7.045 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.365 6.647 -9.324 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -2.111 2.809 -8.721 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.947 5.756 -11.198 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.798 1.916 -10.595 1.00 1.06 H new ATOM 0 HH TYR A 15 0.687 2.341 -12.194 1.00 1.22 H new ATOM 246 N LYS A 16 -5.284 4.460 -7.977 1.00 0.33 N ATOM 247 CA LYS A 16 -6.256 3.501 -8.484 1.00 0.33 C ATOM 248 C LYS A 16 -7.353 4.202 -9.257 1.00 0.33 C ATOM 249 O LYS A 16 -7.888 3.658 -10.213 1.00 0.42 O ATOM 250 CB LYS A 16 -6.852 2.666 -7.355 1.00 0.34 C ATOM 251 CG LYS A 16 -5.858 1.753 -6.649 1.00 0.61 C ATOM 252 CD LYS A 16 -5.245 0.710 -7.581 1.00 0.57 C ATOM 253 CE LYS A 16 -4.024 1.248 -8.315 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.187 0.159 -8.880 1.00 1.41 N ATOM 0 H LYS A 16 -5.347 4.641 -6.975 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.731 2.828 -9.161 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.295 3.337 -6.619 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.661 2.057 -7.759 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.062 2.358 -6.215 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.360 1.246 -5.824 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.962 -0.170 -7.004 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.992 0.389 -8.307 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.347 1.910 -9.118 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.424 1.847 -7.630 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.204 0.487 -8.969 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -3.220 -0.667 -8.249 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.550 -0.107 -9.818 1.00 1.41 H new ATOM 268 N LEU A 17 -7.683 5.413 -8.857 1.00 0.33 N ATOM 269 CA LEU A 17 -8.648 6.201 -9.616 1.00 0.32 C ATOM 270 C LEU A 17 -8.044 6.594 -10.961 1.00 0.35 C ATOM 271 O LEU A 17 -8.755 6.757 -11.951 1.00 0.36 O ATOM 272 CB LEU A 17 -9.097 7.453 -8.852 1.00 0.35 C ATOM 273 CG LEU A 17 -10.202 7.252 -7.804 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.785 5.850 -7.861 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.680 7.561 -6.415 1.00 1.15 C ATOM 0 H LEU A 17 -7.308 5.872 -8.027 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.532 5.584 -9.774 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.227 7.880 -8.354 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.443 8.190 -9.577 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.007 7.948 -8.037 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.563 5.748 -7.104 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.213 5.674 -8.848 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.997 5.121 -7.672 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.477 7.413 -5.686 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.848 6.897 -6.183 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.340 8.596 -6.376 1.00 1.15 H new ATOM 287 N SER A 18 -6.723 6.707 -10.986 1.00 0.41 N ATOM 288 CA SER A 18 -5.986 7.087 -12.187 1.00 0.48 C ATOM 289 C SER A 18 -6.162 6.064 -13.320 1.00 0.51 C ATOM 290 O SER A 18 -6.242 6.438 -14.493 1.00 0.58 O ATOM 291 CB SER A 18 -4.502 7.257 -11.846 1.00 0.57 C ATOM 292 OG SER A 18 -3.743 7.643 -12.979 1.00 0.94 O ATOM 0 H SER A 18 -6.130 6.538 -10.174 1.00 0.41 H new ATOM 0 HA SER A 18 -6.391 8.033 -12.545 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.393 8.007 -11.062 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.111 6.321 -11.448 1.00 0.57 H new ATOM 0 HG SER A 18 -2.802 7.743 -12.724 1.00 0.94 H new ATOM 298 N GLN A 19 -6.240 4.775 -12.980 1.00 0.52 N ATOM 299 CA GLN A 19 -6.407 3.731 -13.996 1.00 0.57 C ATOM 300 C GLN A 19 -7.855 3.639 -14.460 1.00 0.51 C ATOM 301 O GLN A 19 -8.207 2.812 -15.301 1.00 0.59 O ATOM 302 CB GLN A 19 -5.946 2.374 -13.477 1.00 0.68 C ATOM 303 CG GLN A 19 -6.632 1.963 -12.199 1.00 0.84 C ATOM 304 CD GLN A 19 -6.348 0.529 -11.807 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.389 0.242 -11.090 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.190 -0.378 -12.272 1.00 1.19 N ATOM 0 H GLN A 19 -6.191 4.431 -12.021 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.784 4.009 -14.846 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -6.131 1.618 -14.240 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.869 2.402 -13.311 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.312 2.624 -11.393 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.708 2.096 -12.312 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.971 -0.093 -12.863 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.059 -1.362 -12.040 1.00 1.19 H new ATOM 315 N LYS A 20 -8.690 4.485 -13.890 1.00 0.45 N ATOM 316 CA LYS A 20 -10.099 4.543 -14.244 1.00 0.49 C ATOM 317 C LYS A 20 -10.385 5.866 -14.923 1.00 0.48 C ATOM 318 O LYS A 20 -11.282 5.986 -15.757 1.00 0.53 O ATOM 319 CB LYS A 20 -10.954 4.410 -12.987 1.00 0.57 C ATOM 320 CG LYS A 20 -10.368 3.459 -11.977 1.00 0.49 C ATOM 321 CD LYS A 20 -10.295 2.050 -12.520 1.00 1.20 C ATOM 322 CE LYS A 20 -11.666 1.575 -12.981 1.00 1.75 C ATOM 323 NZ LYS A 20 -11.644 0.167 -13.458 1.00 2.20 N ATOM 0 H LYS A 20 -8.414 5.152 -13.169 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.340 3.725 -14.922 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.072 5.392 -12.528 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.950 4.067 -13.266 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.369 3.794 -11.697 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.974 3.470 -11.071 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.593 2.013 -13.353 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.912 1.379 -11.751 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.375 1.667 -12.159 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -12.022 2.222 -13.782 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -12.599 -0.112 -13.761 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.987 0.082 -14.260 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -11.330 -0.456 -12.687 1.00 2.20 H new ATOM 337 N GLY A 21 -9.594 6.846 -14.545 1.00 0.45 N ATOM 338 CA GLY A 21 -9.707 8.170 -15.108 1.00 0.49 C ATOM 339 C GLY A 21 -10.416 9.113 -14.169 1.00 0.47 C ATOM 340 O GLY A 21 -10.954 10.140 -14.583 1.00 0.53 O ATOM 0 H GLY A 21 -8.860 6.747 -13.844 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.713 8.557 -15.332 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.249 8.120 -16.052 1.00 0.49 H new ATOM 344 N TYR A 22 -10.421 8.755 -12.898 1.00 0.40 N ATOM 345 CA TYR A 22 -11.038 9.572 -11.872 1.00 0.37 C ATOM 346 C TYR A 22 -9.977 10.178 -10.976 1.00 0.36 C ATOM 347 O TYR A 22 -8.815 9.779 -11.021 1.00 0.38 O ATOM 348 CB TYR A 22 -12.004 8.747 -11.030 1.00 0.34 C ATOM 349 CG TYR A 22 -13.196 8.228 -11.806 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.129 7.029 -12.503 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.384 8.942 -11.844 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.215 6.558 -13.217 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.472 8.480 -12.557 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.385 7.261 -13.221 1.00 0.62 C ATOM 355 OH TYR A 22 -16.468 6.831 -13.956 1.00 0.76 O ATOM 0 H TYR A 22 -9.999 7.894 -12.550 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.594 10.369 -12.365 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.466 7.902 -10.599 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.360 9.356 -10.199 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.214 6.455 -12.487 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.459 9.876 -11.306 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.138 5.634 -13.771 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.382 9.060 -12.599 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.213 7.456 -13.837 1.00 0.76 H new ATOM 365 N SER A 23 -10.376 11.142 -10.170 1.00 0.37 N ATOM 366 CA SER A 23 -9.456 11.785 -9.259 1.00 0.39 C ATOM 367 C SER A 23 -9.787 11.435 -7.820 1.00 0.35 C ATOM 368 O SER A 23 -10.945 11.201 -7.474 1.00 0.34 O ATOM 369 CB SER A 23 -9.520 13.292 -9.435 1.00 0.45 C ATOM 370 OG SER A 23 -8.386 13.928 -8.868 1.00 0.52 O ATOM 0 H SER A 23 -11.332 11.496 -10.129 1.00 0.37 H new ATOM 0 HA SER A 23 -8.451 11.430 -9.486 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.582 13.534 -10.496 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.426 13.676 -8.967 1.00 0.45 H new ATOM 0 HG SER A 23 -8.455 14.897 -8.999 1.00 0.52 H new ATOM 376 N TRP A 24 -8.761 11.413 -6.991 1.00 0.37 N ATOM 377 CA TRP A 24 -8.926 11.232 -5.564 1.00 0.36 C ATOM 378 C TRP A 24 -9.671 12.420 -4.960 1.00 0.35 C ATOM 379 O TRP A 24 -10.671 12.250 -4.264 1.00 0.34 O ATOM 380 CB TRP A 24 -7.549 11.053 -4.905 1.00 0.45 C ATOM 381 CG TRP A 24 -7.445 11.626 -3.523 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.946 11.099 -2.372 1.00 0.96 C ATOM 383 CD2 TRP A 24 -6.788 12.845 -3.155 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.665 11.929 -1.314 1.00 0.61 N ATOM 385 CE2 TRP A 24 -6.947 13.002 -1.767 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.084 13.820 -3.867 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.429 14.094 -1.078 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.568 14.903 -3.181 1.00 3.36 C ATOM 389 CH2 TRP A 24 -5.742 15.033 -1.799 1.00 3.13 C ATOM 0 H TRP A 24 -7.791 11.520 -7.289 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.520 10.337 -5.380 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.315 9.989 -4.863 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -6.794 11.520 -5.537 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -8.485 10.166 -2.301 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.946 11.771 -0.346 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -5.946 13.729 -4.934 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -6.564 14.197 -0.011 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.021 15.662 -3.721 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.326 15.891 -1.291 1.00 3.13 H new ATOM 400 N SER A 25 -9.202 13.624 -5.269 1.00 0.39 N ATOM 401 CA SER A 25 -9.720 14.828 -4.635 1.00 0.44 C ATOM 402 C SER A 25 -11.140 15.139 -5.097 1.00 0.43 C ATOM 403 O SER A 25 -11.891 15.792 -4.383 1.00 0.49 O ATOM 404 CB SER A 25 -8.799 16.014 -4.919 1.00 0.53 C ATOM 405 OG SER A 25 -9.233 17.191 -4.252 1.00 1.37 O ATOM 0 H SER A 25 -8.465 13.791 -5.954 1.00 0.39 H new ATOM 0 HA SER A 25 -9.752 14.650 -3.560 1.00 0.44 H new ATOM 0 HB2 SER A 25 -7.785 15.770 -4.603 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.763 16.197 -5.993 1.00 0.53 H new ATOM 0 HG SER A 25 -10.092 17.020 -3.812 1.00 1.37 H new ATOM 411 N GLN A 26 -11.509 14.665 -6.283 1.00 0.40 N ATOM 412 CA GLN A 26 -12.866 14.865 -6.788 1.00 0.42 C ATOM 413 C GLN A 26 -13.898 14.290 -5.824 1.00 0.38 C ATOM 414 O GLN A 26 -15.005 14.811 -5.696 1.00 0.41 O ATOM 415 CB GLN A 26 -13.040 14.214 -8.162 1.00 0.47 C ATOM 416 CG GLN A 26 -12.404 14.985 -9.302 1.00 0.59 C ATOM 417 CD GLN A 26 -12.548 14.271 -10.634 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.596 13.039 -10.692 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.616 15.033 -11.712 1.00 1.10 N ATOM 0 H GLN A 26 -10.895 14.144 -6.909 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.024 15.940 -6.879 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.612 13.212 -8.133 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.105 14.100 -8.365 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.862 15.972 -9.370 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.346 15.139 -9.088 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.573 16.048 -11.623 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.712 14.606 -12.633 1.00 1.10 H new ATOM 428 N PHE A 27 -13.524 13.219 -5.141 1.00 0.35 N ATOM 429 CA PHE A 27 -14.454 12.501 -4.290 1.00 0.38 C ATOM 430 C PHE A 27 -14.055 12.588 -2.820 1.00 0.43 C ATOM 431 O PHE A 27 -14.863 12.306 -1.933 1.00 0.67 O ATOM 432 CB PHE A 27 -14.506 11.041 -4.729 1.00 0.43 C ATOM 433 CG PHE A 27 -14.714 10.874 -6.208 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.750 11.530 -6.856 1.00 0.85 C ATOM 435 CD2 PHE A 27 -13.862 10.076 -6.953 1.00 0.94 C ATOM 436 CE1 PHE A 27 -15.932 11.390 -8.217 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.040 9.933 -8.315 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.076 10.590 -8.947 1.00 1.28 C ATOM 0 H PHE A 27 -12.582 12.829 -5.161 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.438 12.960 -4.391 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.577 10.549 -4.442 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.312 10.537 -4.196 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.422 12.157 -6.289 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.049 9.560 -6.463 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.743 11.906 -8.710 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.369 9.308 -8.885 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.217 10.478 -10.012 1.00 1.28 H new ATOM 448 N SER A 28 -12.815 12.974 -2.562 1.00 0.39 N ATOM 449 CA SER A 28 -12.303 12.988 -1.201 1.00 0.42 C ATOM 450 C SER A 28 -12.297 14.378 -0.593 1.00 0.58 C ATOM 451 O SER A 28 -12.178 15.383 -1.284 1.00 1.01 O ATOM 452 CB SER A 28 -10.908 12.390 -1.153 1.00 0.62 C ATOM 453 OG SER A 28 -10.903 11.088 -1.709 1.00 1.81 O ATOM 0 H SER A 28 -12.149 13.280 -3.271 1.00 0.39 H new ATOM 0 HA SER A 28 -12.981 12.379 -0.603 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.214 13.028 -1.701 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.558 12.352 -0.121 1.00 0.62 H new ATOM 0 HG SER A 28 -10.078 10.954 -2.220 1.00 1.81 H new ATOM 459 N ASP A 29 -12.413 14.395 0.721 1.00 0.63 N ATOM 460 CA ASP A 29 -12.480 15.620 1.504 1.00 0.84 C ATOM 461 C ASP A 29 -11.444 15.579 2.616 1.00 0.88 C ATOM 462 O ASP A 29 -11.155 16.584 3.259 1.00 1.03 O ATOM 463 CB ASP A 29 -13.889 15.735 2.084 1.00 1.04 C ATOM 464 CG ASP A 29 -14.041 16.774 3.181 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.770 16.456 4.360 1.00 2.31 O ATOM 466 OD2 ASP A 29 -14.472 17.902 2.875 1.00 1.85 O ATOM 0 H ASP A 29 -12.464 13.547 1.286 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.267 16.487 0.878 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.581 15.975 1.277 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.185 14.763 2.479 1.00 1.04 H new ATOM 471 N VAL A 30 -10.845 14.408 2.756 1.00 0.80 N ATOM 472 CA VAL A 30 -9.989 14.054 3.884 1.00 0.82 C ATOM 473 C VAL A 30 -8.890 15.090 4.152 1.00 0.82 C ATOM 474 O VAL A 30 -8.957 15.834 5.128 1.00 0.92 O ATOM 475 CB VAL A 30 -9.375 12.661 3.617 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.400 11.573 3.890 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.886 12.558 2.176 1.00 0.76 C ATOM 0 H VAL A 30 -10.941 13.656 2.073 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.604 14.035 4.784 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.526 12.528 4.287 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.954 10.597 3.698 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.720 11.627 4.931 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.262 11.713 3.238 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.457 11.570 2.007 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.724 12.711 1.496 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.127 13.319 1.994 1.00 0.76 H new ATOM 487 N GLU A 31 -7.887 15.135 3.297 1.00 0.78 N ATOM 488 CA GLU A 31 -6.854 16.151 3.381 1.00 0.83 C ATOM 489 C GLU A 31 -7.112 17.254 2.362 1.00 0.88 C ATOM 490 O GLU A 31 -6.312 18.177 2.208 1.00 0.98 O ATOM 491 CB GLU A 31 -5.466 15.536 3.195 1.00 0.93 C ATOM 492 CG GLU A 31 -5.382 14.509 2.082 1.00 1.05 C ATOM 493 CD GLU A 31 -5.112 13.116 2.611 1.00 2.05 C ATOM 494 OE1 GLU A 31 -5.977 12.574 3.329 1.00 2.74 O ATOM 495 OE2 GLU A 31 -4.031 12.569 2.322 1.00 2.46 O ATOM 0 H GLU A 31 -7.765 14.474 2.530 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.885 16.595 4.376 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -4.752 16.334 2.991 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.161 15.067 4.130 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.315 14.508 1.519 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -4.591 14.792 1.387 1.00 1.05 H new ATOM 502 N GLU A 32 -8.229 17.129 1.649 1.00 0.87 N ATOM 503 CA GLU A 32 -8.628 18.120 0.658 1.00 0.98 C ATOM 504 C GLU A 32 -8.778 19.502 1.285 1.00 1.09 C ATOM 505 O GLU A 32 -8.181 20.479 0.826 1.00 1.24 O ATOM 506 CB GLU A 32 -9.953 17.725 -0.007 1.00 0.98 C ATOM 507 CG GLU A 32 -10.601 18.885 -0.749 1.00 1.12 C ATOM 508 CD GLU A 32 -11.721 18.472 -1.672 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.864 18.332 -1.191 1.00 1.17 O ATOM 510 OE2 GLU A 32 -11.460 18.254 -2.874 1.00 1.45 O ATOM 0 H GLU A 32 -8.876 16.346 1.742 1.00 0.87 H new ATOM 0 HA GLU A 32 -7.840 18.156 -0.095 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.776 16.906 -0.704 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.641 17.354 0.753 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -10.988 19.598 -0.021 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -9.838 19.404 -1.329 1.00 1.12 H new ATOM 517 N ASN A 33 -9.577 19.574 2.334 1.00 1.09 N ATOM 518 CA ASN A 33 -9.929 20.853 2.934 1.00 1.27 C ATOM 519 C ASN A 33 -8.905 21.280 3.973 1.00 1.32 C ATOM 520 O ASN A 33 -8.295 22.342 3.849 1.00 1.68 O ATOM 521 CB ASN A 33 -11.330 20.775 3.533 1.00 1.36 C ATOM 522 CG ASN A 33 -12.400 20.882 2.467 1.00 1.48 C ATOM 523 OD1 ASN A 33 -12.701 19.768 1.821 1.00 1.87 O flip ATOM 524 ND2 ASN A 33 -12.935 21.962 2.212 1.00 1.35 N flip ATOM 0 H ASN A 33 -9.996 18.763 2.790 1.00 1.09 H new ATOM 0 HA ASN A 33 -9.926 21.615 2.154 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -11.444 19.834 4.071 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -11.460 21.576 4.261 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -12.673 22.797 2.735 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.640 22.021 1.477 1.00 1.35 H new ATOM 531 N ARG A 34 -8.709 20.461 4.993 1.00 1.22 N ATOM 532 CA ARG A 34 -7.678 20.735 5.979 1.00 1.29 C ATOM 533 C ARG A 34 -6.439 19.914 5.672 1.00 1.17 C ATOM 534 O ARG A 34 -6.531 18.757 5.262 1.00 1.24 O ATOM 535 CB ARG A 34 -8.157 20.438 7.402 1.00 1.50 C ATOM 536 CG ARG A 34 -8.522 18.983 7.639 1.00 1.52 C ATOM 537 CD ARG A 34 -8.723 18.689 9.114 1.00 1.91 C ATOM 538 NE ARG A 34 -9.066 17.288 9.342 1.00 2.18 N ATOM 539 CZ ARG A 34 -8.704 16.588 10.414 1.00 2.65 C ATOM 540 NH1 ARG A 34 -7.966 17.142 11.368 1.00 2.89 N ATOM 541 NH2 ARG A 34 -9.077 15.323 10.518 1.00 3.39 N ATOM 0 H ARG A 34 -9.245 19.609 5.159 1.00 1.22 H new ATOM 0 HA ARG A 34 -7.441 21.797 5.923 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -7.375 20.725 8.105 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -9.025 21.060 7.620 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -9.434 18.743 7.092 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -7.735 18.341 7.244 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -7.813 18.935 9.662 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -9.514 19.327 9.508 1.00 1.91 H new ATOM 0 HE ARG A 34 -9.621 16.813 8.630 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -7.670 18.115 11.284 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -7.695 16.595 12.185 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -9.636 14.894 9.781 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -8.805 14.777 11.335 1.00 3.39 H new ATOM 555 N THR A 35 -5.287 20.515 5.870 1.00 1.31 N ATOM 556 CA THR A 35 -4.032 19.846 5.612 1.00 1.39 C ATOM 557 C THR A 35 -3.219 19.709 6.885 1.00 1.34 C ATOM 558 O THR A 35 -2.546 20.644 7.329 1.00 1.55 O ATOM 559 CB THR A 35 -3.203 20.576 4.558 1.00 1.82 C ATOM 560 OG1 THR A 35 -3.274 21.995 4.764 1.00 2.05 O ATOM 561 CG2 THR A 35 -3.671 20.229 3.156 1.00 2.25 C ATOM 0 H THR A 35 -5.194 21.472 6.211 1.00 1.31 H new ATOM 0 HA THR A 35 -4.278 18.855 5.230 1.00 1.39 H new ATOM 0 HB THR A 35 -2.167 20.252 4.661 1.00 1.82 H new ATOM 0 HG1 THR A 35 -3.054 22.202 5.696 1.00 2.05 H new ATOM 0 HG21 THR A 35 -3.062 20.763 2.427 1.00 2.25 H new ATOM 0 HG22 THR A 35 -3.572 19.156 2.995 1.00 2.25 H new ATOM 0 HG23 THR A 35 -4.715 20.518 3.039 1.00 2.25 H new ATOM 569 N GLU A 36 -3.303 18.538 7.462 1.00 1.44 N ATOM 570 CA GLU A 36 -2.656 18.238 8.720 1.00 1.68 C ATOM 571 C GLU A 36 -1.287 17.624 8.481 1.00 1.43 C ATOM 572 O GLU A 36 -0.247 18.254 8.693 1.00 1.46 O ATOM 573 CB GLU A 36 -3.547 17.285 9.529 1.00 2.17 C ATOM 574 CG GLU A 36 -4.001 16.026 8.792 1.00 2.49 C ATOM 575 CD GLU A 36 -4.750 15.061 9.686 1.00 2.96 C ATOM 576 OE1 GLU A 36 -4.198 14.669 10.736 1.00 3.30 O ATOM 577 OE2 GLU A 36 -5.887 14.677 9.337 1.00 3.34 O ATOM 0 H GLU A 36 -3.827 17.756 7.070 1.00 1.44 H new ATOM 0 HA GLU A 36 -2.513 19.160 9.284 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -3.007 16.985 10.427 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -4.431 17.832 9.857 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -4.640 16.310 7.956 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -3.130 15.523 8.371 1.00 2.49 H new ATOM 584 N ALA A 37 -1.323 16.396 8.031 1.00 1.50 N ATOM 585 CA ALA A 37 -0.135 15.625 7.710 1.00 1.39 C ATOM 586 C ALA A 37 0.660 16.243 6.563 1.00 1.27 C ATOM 587 O ALA A 37 0.156 17.080 5.809 1.00 1.58 O ATOM 588 CB ALA A 37 -0.519 14.193 7.369 1.00 1.92 C ATOM 0 H ALA A 37 -2.193 15.888 7.872 1.00 1.50 H new ATOM 0 HA ALA A 37 0.507 15.631 8.591 1.00 1.39 H new ATOM 0 HB1 ALA A 37 0.379 13.623 7.130 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -1.021 13.738 8.223 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -1.190 14.191 6.510 1.00 1.92 H new ATOM 594 N PRO A 38 1.924 15.819 6.442 1.00 1.10 N ATOM 595 CA PRO A 38 2.843 16.227 5.369 1.00 1.43 C ATOM 596 C PRO A 38 2.383 15.771 3.989 1.00 1.79 C ATOM 597 O PRO A 38 1.333 15.145 3.840 1.00 1.87 O ATOM 598 CB PRO A 38 4.134 15.491 5.717 1.00 1.34 C ATOM 599 CG PRO A 38 3.669 14.341 6.507 1.00 1.26 C ATOM 600 CD PRO A 38 2.562 14.867 7.347 1.00 1.01 C ATOM 0 HA PRO A 38 2.926 17.313 5.315 1.00 1.43 H new ATOM 0 HB2 PRO A 38 4.669 15.174 4.822 1.00 1.34 H new ATOM 0 HB3 PRO A 38 4.815 16.122 6.288 1.00 1.34 H new ATOM 0 HG2 PRO A 38 3.324 13.534 5.861 1.00 1.26 H new ATOM 0 HG3 PRO A 38 4.472 13.936 7.123 1.00 1.26 H new ATOM 0 HD2 PRO A 38 1.877 14.079 7.660 1.00 1.01 H new ATOM 0 HD3 PRO A 38 2.930 15.348 8.253 1.00 1.01 H new ATOM 608 N GLU A 39 3.183 16.092 2.984 1.00 2.28 N ATOM 609 CA GLU A 39 3.012 15.522 1.660 1.00 2.76 C ATOM 610 C GLU A 39 3.778 14.207 1.587 1.00 2.66 C ATOM 611 O GLU A 39 3.718 13.481 0.594 1.00 3.08 O ATOM 612 CB GLU A 39 3.520 16.487 0.586 1.00 3.38 C ATOM 613 CG GLU A 39 4.991 16.837 0.737 1.00 3.52 C ATOM 614 CD GLU A 39 5.497 17.737 -0.367 1.00 4.22 C ATOM 615 OE1 GLU A 39 5.361 18.977 -0.244 1.00 4.44 O ATOM 616 OE2 GLU A 39 6.045 17.213 -1.358 1.00 4.64 O ATOM 0 H GLU A 39 3.960 16.748 3.063 1.00 2.28 H new ATOM 0 HA GLU A 39 1.952 15.344 1.479 1.00 2.76 H new ATOM 0 HB2 GLU A 39 3.359 16.043 -0.396 1.00 3.38 H new ATOM 0 HB3 GLU A 39 2.930 17.403 0.623 1.00 3.38 H new ATOM 0 HG2 GLU A 39 5.146 17.327 1.698 1.00 3.52 H new ATOM 0 HG3 GLU A 39 5.579 15.919 0.749 1.00 3.52 H new ATOM 623 N GLY A 40 4.508 13.924 2.659 1.00 2.15 N ATOM 624 CA GLY A 40 5.306 12.723 2.740 1.00 2.04 C ATOM 625 C GLY A 40 6.445 12.872 3.722 1.00 1.57 C ATOM 626 O GLY A 40 7.601 12.978 3.315 1.00 1.75 O ATOM 0 H GLY A 40 4.559 14.519 3.486 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.675 11.886 3.040 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.705 12.484 1.754 1.00 2.04 H new ATOM 630 N THR A 41 6.125 12.870 5.019 1.00 1.12 N ATOM 631 CA THR A 41 7.138 13.071 6.050 1.00 0.86 C ATOM 632 C THR A 41 8.196 11.957 5.971 1.00 0.75 C ATOM 633 O THR A 41 9.324 12.187 5.535 1.00 0.85 O ATOM 634 CB THR A 41 6.504 13.115 7.468 1.00 0.80 C ATOM 635 OG1 THR A 41 7.522 13.063 8.473 1.00 0.95 O ATOM 636 CG2 THR A 41 5.508 11.982 7.694 1.00 0.91 C ATOM 0 H THR A 41 5.179 12.732 5.375 1.00 1.12 H new ATOM 0 HA THR A 41 7.617 14.034 5.871 1.00 0.86 H new ATOM 0 HB THR A 41 5.960 14.057 7.541 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.108 12.933 9.352 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.093 12.057 8.699 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.703 12.054 6.963 1.00 0.91 H new ATOM 0 HG23 THR A 41 6.015 11.024 7.582 1.00 0.91 H new ATOM 644 N GLU A 42 7.822 10.767 6.425 1.00 0.69 N ATOM 645 CA GLU A 42 8.544 9.534 6.141 1.00 0.66 C ATOM 646 C GLU A 42 7.897 8.872 4.942 1.00 0.54 C ATOM 647 O GLU A 42 8.523 8.170 4.144 1.00 0.56 O ATOM 648 CB GLU A 42 8.451 8.600 7.347 1.00 0.74 C ATOM 649 CG GLU A 42 7.030 8.130 7.657 1.00 0.65 C ATOM 650 CD GLU A 42 6.886 7.618 9.074 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.649 6.705 9.458 1.00 2.02 O ATOM 652 OE2 GLU A 42 6.008 8.118 9.806 1.00 1.17 O ATOM 0 H GLU A 42 6.997 10.630 7.009 1.00 0.69 H new ATOM 0 HA GLU A 42 9.593 9.749 5.936 1.00 0.66 H new ATOM 0 HB2 GLU A 42 9.081 7.728 7.169 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.853 9.111 8.222 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.335 8.955 7.500 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.751 7.341 6.959 1.00 0.65 H new ATOM 659 N SER A 43 6.614 9.157 4.853 1.00 0.48 N ATOM 660 CA SER A 43 5.674 8.478 3.994 1.00 0.43 C ATOM 661 C SER A 43 5.973 8.618 2.519 1.00 0.43 C ATOM 662 O SER A 43 5.580 7.767 1.736 1.00 0.49 O ATOM 663 CB SER A 43 4.311 9.044 4.299 1.00 0.50 C ATOM 664 OG SER A 43 4.448 10.276 4.992 1.00 1.25 O ATOM 0 H SER A 43 6.183 9.900 5.402 1.00 0.48 H new ATOM 0 HA SER A 43 5.737 7.409 4.197 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.755 9.196 3.374 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.740 8.338 4.902 1.00 0.50 H new ATOM 0 HG SER A 43 3.591 10.519 5.400 1.00 1.25 H new ATOM 670 N GLU A 44 6.642 9.687 2.140 1.00 0.46 N ATOM 671 CA GLU A 44 6.968 9.909 0.733 1.00 0.52 C ATOM 672 C GLU A 44 7.731 8.713 0.168 1.00 0.51 C ATOM 673 O GLU A 44 7.441 8.251 -0.931 1.00 0.58 O ATOM 674 CB GLU A 44 7.766 11.202 0.557 1.00 0.61 C ATOM 675 CG GLU A 44 8.205 11.466 -0.874 1.00 0.72 C ATOM 676 CD GLU A 44 8.882 12.810 -1.039 1.00 1.17 C ATOM 677 OE1 GLU A 44 10.053 12.948 -0.624 1.00 1.91 O ATOM 678 OE2 GLU A 44 8.248 13.741 -1.584 1.00 1.29 O ATOM 0 H GLU A 44 6.971 10.414 2.775 1.00 0.46 H new ATOM 0 HA GLU A 44 6.037 10.014 0.176 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.161 12.040 0.901 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.648 11.162 1.196 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.888 10.678 -1.191 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.336 11.418 -1.531 1.00 0.72 H new ATOM 685 N ALA A 45 8.671 8.187 0.940 1.00 0.48 N ATOM 686 CA ALA A 45 9.404 6.995 0.533 1.00 0.48 C ATOM 687 C ALA A 45 8.570 5.748 0.788 1.00 0.41 C ATOM 688 O ALA A 45 8.585 4.804 -0.001 1.00 0.41 O ATOM 689 CB ALA A 45 10.732 6.909 1.267 1.00 0.52 C ATOM 0 H ALA A 45 8.944 8.564 1.848 1.00 0.48 H new ATOM 0 HA ALA A 45 9.608 7.062 -0.536 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.265 6.013 0.950 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.333 7.789 1.037 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.552 6.864 2.341 1.00 0.52 H new ATOM 695 N VAL A 46 7.834 5.764 1.893 1.00 0.37 N ATOM 696 CA VAL A 46 6.969 4.656 2.278 1.00 0.34 C ATOM 697 C VAL A 46 5.940 4.356 1.199 1.00 0.34 C ATOM 698 O VAL A 46 5.909 3.260 0.654 1.00 0.39 O ATOM 699 CB VAL A 46 6.221 4.990 3.568 1.00 0.49 C ATOM 700 CG1 VAL A 46 5.292 3.874 3.967 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.172 5.331 4.695 1.00 1.13 C ATOM 0 H VAL A 46 7.820 6.546 2.548 1.00 0.37 H new ATOM 0 HA VAL A 46 7.607 3.784 2.422 1.00 0.34 H new ATOM 0 HB VAL A 46 5.617 5.875 3.369 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.775 4.143 4.888 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.561 3.709 3.176 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.867 2.962 4.126 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.602 5.562 5.595 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.826 4.481 4.889 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.774 6.195 4.414 1.00 1.13 H new ATOM 711 N LYS A 47 5.099 5.342 0.906 1.00 0.34 N ATOM 712 CA LYS A 47 4.035 5.191 -0.075 1.00 0.36 C ATOM 713 C LYS A 47 4.641 4.837 -1.427 1.00 0.39 C ATOM 714 O LYS A 47 4.070 4.069 -2.200 1.00 0.43 O ATOM 715 CB LYS A 47 3.235 6.490 -0.188 1.00 0.38 C ATOM 716 CG LYS A 47 3.994 7.576 -0.920 1.00 0.49 C ATOM 717 CD LYS A 47 3.351 8.938 -0.785 1.00 0.47 C ATOM 718 CE LYS A 47 3.046 9.280 0.656 1.00 0.47 C ATOM 719 NZ LYS A 47 2.817 10.740 0.831 1.00 0.67 N ATOM 0 H LYS A 47 5.137 6.264 1.341 1.00 0.34 H new ATOM 0 HA LYS A 47 3.364 4.393 0.243 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.298 6.292 -0.709 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.976 6.842 0.811 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.013 7.622 -0.536 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.062 7.315 -1.976 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.014 9.695 -1.205 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.429 8.963 -1.366 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.164 8.730 0.983 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.873 8.961 1.290 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.728 10.959 1.844 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.620 11.268 0.432 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.943 11.016 0.339 1.00 0.67 H new ATOM 733 N GLN A 48 5.820 5.396 -1.689 1.00 0.40 N ATOM 734 CA GLN A 48 6.517 5.141 -2.935 1.00 0.46 C ATOM 735 C GLN A 48 6.961 3.695 -3.023 1.00 0.45 C ATOM 736 O GLN A 48 7.028 3.136 -4.107 1.00 0.50 O ATOM 737 CB GLN A 48 7.733 6.049 -3.112 1.00 0.52 C ATOM 738 CG GLN A 48 7.435 7.335 -3.857 1.00 0.58 C ATOM 739 CD GLN A 48 6.750 7.113 -5.198 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.998 5.970 -5.829 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 5.987 7.962 -5.660 1.00 0.63 N flip ATOM 0 H GLN A 48 6.307 6.027 -1.053 1.00 0.40 H new ATOM 0 HA GLN A 48 5.808 5.356 -3.734 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.137 6.295 -2.130 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.508 5.501 -3.648 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.802 7.968 -3.235 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.367 7.877 -4.019 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.819 8.829 -5.149 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.523 7.798 -6.553 1.00 0.63 H new ATOM 750 N ALA A 49 7.282 3.109 -1.882 1.00 0.42 N ATOM 751 CA ALA A 49 7.660 1.707 -1.817 1.00 0.41 C ATOM 752 C ALA A 49 6.423 0.830 -1.770 1.00 0.39 C ATOM 753 O ALA A 49 6.393 -0.264 -2.333 1.00 0.42 O ATOM 754 CB ALA A 49 8.519 1.454 -0.595 1.00 0.42 C ATOM 0 H ALA A 49 7.288 3.587 -0.981 1.00 0.42 H new ATOM 0 HA ALA A 49 8.233 1.460 -2.711 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.796 0.400 -0.557 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.420 2.064 -0.651 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.960 1.715 0.303 1.00 0.42 H new ATOM 760 N LEU A 50 5.400 1.334 -1.103 1.00 0.38 N ATOM 761 CA LEU A 50 4.162 0.605 -0.912 1.00 0.40 C ATOM 762 C LEU A 50 3.471 0.322 -2.240 1.00 0.41 C ATOM 763 O LEU A 50 2.823 -0.704 -2.395 1.00 0.43 O ATOM 764 CB LEU A 50 3.228 1.387 0.014 1.00 0.45 C ATOM 765 CG LEU A 50 2.780 0.631 1.264 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.974 0.284 2.130 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.772 1.443 2.056 1.00 1.20 C ATOM 0 H LEU A 50 5.406 2.261 -0.679 1.00 0.38 H new ATOM 0 HA LEU A 50 4.405 -0.353 -0.452 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.730 2.304 0.322 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.344 1.682 -0.551 1.00 0.45 H new ATOM 0 HG LEU A 50 2.299 -0.294 0.946 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.637 -0.254 3.016 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.663 -0.343 1.565 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.482 1.200 2.433 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.469 0.883 2.941 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.224 2.387 2.361 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.898 1.643 1.436 1.00 1.20 H new ATOM 779 N ARG A 51 3.636 1.212 -3.210 1.00 0.44 N ATOM 780 CA ARG A 51 2.984 1.039 -4.500 1.00 0.50 C ATOM 781 C ARG A 51 3.766 0.031 -5.320 1.00 0.52 C ATOM 782 O ARG A 51 3.213 -0.708 -6.133 1.00 0.59 O ATOM 783 CB ARG A 51 2.900 2.372 -5.237 1.00 0.53 C ATOM 784 CG ARG A 51 4.202 3.141 -5.201 1.00 0.52 C ATOM 785 CD ARG A 51 4.194 4.315 -6.148 1.00 0.73 C ATOM 786 NE ARG A 51 3.109 5.255 -5.877 1.00 1.21 N ATOM 787 CZ ARG A 51 2.630 6.105 -6.780 1.00 1.63 C ATOM 788 NH1 ARG A 51 3.081 6.070 -8.030 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.691 6.972 -6.436 1.00 2.17 N ATOM 0 H ARG A 51 4.209 2.052 -3.130 1.00 0.44 H new ATOM 0 HA ARG A 51 1.969 0.673 -4.346 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.617 2.192 -6.274 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.111 2.979 -4.793 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.385 3.495 -4.187 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.024 2.473 -5.459 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.148 4.838 -6.078 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.105 3.950 -7.171 1.00 0.73 H new ATOM 0 HE ARG A 51 2.697 5.259 -4.944 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.794 5.391 -8.296 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.714 6.722 -8.723 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.336 6.987 -5.480 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.322 7.625 -7.127 1.00 2.17 H new ATOM 803 N GLU A 52 5.062 0.005 -5.068 1.00 0.49 N ATOM 804 CA GLU A 52 5.968 -0.925 -5.708 1.00 0.54 C ATOM 805 C GLU A 52 5.688 -2.338 -5.217 1.00 0.53 C ATOM 806 O GLU A 52 5.566 -3.275 -6.008 1.00 0.58 O ATOM 807 CB GLU A 52 7.396 -0.517 -5.374 1.00 0.59 C ATOM 808 CG GLU A 52 7.699 0.927 -5.742 1.00 0.63 C ATOM 809 CD GLU A 52 8.174 1.069 -7.167 1.00 0.87 C ATOM 810 OE1 GLU A 52 9.362 0.795 -7.433 1.00 1.10 O ATOM 811 OE2 GLU A 52 7.360 1.451 -8.032 1.00 1.07 O ATOM 0 H GLU A 52 5.517 0.635 -4.407 1.00 0.49 H new ATOM 0 HA GLU A 52 5.827 -0.905 -6.789 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.569 -0.659 -4.307 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.089 -1.174 -5.900 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.803 1.531 -5.598 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.460 1.319 -5.067 1.00 0.63 H new ATOM 818 N ALA A 53 5.580 -2.473 -3.902 1.00 0.49 N ATOM 819 CA ALA A 53 5.205 -3.736 -3.286 1.00 0.48 C ATOM 820 C ALA A 53 3.763 -4.080 -3.635 1.00 0.49 C ATOM 821 O ALA A 53 3.420 -5.242 -3.848 1.00 0.53 O ATOM 822 CB ALA A 53 5.384 -3.660 -1.776 1.00 0.45 C ATOM 0 H ALA A 53 5.748 -1.717 -3.238 1.00 0.49 H new ATOM 0 HA ALA A 53 5.854 -4.522 -3.671 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.100 -4.612 -1.328 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.427 -3.447 -1.544 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.753 -2.867 -1.374 1.00 0.45 H new ATOM 828 N GLY A 54 2.928 -3.048 -3.695 1.00 0.49 N ATOM 829 CA GLY A 54 1.531 -3.224 -4.035 1.00 0.53 C ATOM 830 C GLY A 54 1.351 -3.817 -5.409 1.00 0.60 C ATOM 831 O GLY A 54 0.554 -4.729 -5.588 1.00 0.70 O ATOM 0 H GLY A 54 3.200 -2.082 -3.511 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.058 -3.871 -3.297 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.023 -2.261 -3.987 1.00 0.53 H new ATOM 835 N ASP A 55 2.116 -3.310 -6.371 1.00 0.61 N ATOM 836 CA ASP A 55 2.052 -3.786 -7.750 1.00 0.69 C ATOM 837 C ASP A 55 2.277 -5.292 -7.813 1.00 0.70 C ATOM 838 O ASP A 55 1.606 -5.997 -8.562 1.00 0.79 O ATOM 839 CB ASP A 55 3.097 -3.064 -8.601 1.00 0.73 C ATOM 840 CG ASP A 55 3.073 -3.504 -10.050 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.246 -2.978 -10.824 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.881 -4.379 -10.422 1.00 0.82 O ATOM 0 H ASP A 55 2.793 -2.563 -6.219 1.00 0.61 H new ATOM 0 HA ASP A 55 1.059 -3.570 -8.143 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.923 -1.989 -8.549 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.088 -3.247 -8.186 1.00 0.73 H new ATOM 847 N GLU A 56 3.210 -5.763 -6.992 1.00 0.66 N ATOM 848 CA GLU A 56 3.538 -7.186 -6.884 1.00 0.74 C ATOM 849 C GLU A 56 2.372 -7.991 -6.322 1.00 0.77 C ATOM 850 O GLU A 56 2.273 -9.196 -6.536 1.00 0.88 O ATOM 851 CB GLU A 56 4.768 -7.374 -5.998 1.00 0.79 C ATOM 852 CG GLU A 56 6.039 -6.801 -6.595 1.00 1.24 C ATOM 853 CD GLU A 56 6.472 -7.533 -7.844 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.843 -8.721 -7.744 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.433 -6.929 -8.936 1.00 2.29 O ATOM 0 H GLU A 56 3.765 -5.167 -6.378 1.00 0.66 H new ATOM 0 HA GLU A 56 3.749 -7.554 -7.888 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.585 -6.903 -5.032 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.912 -8.438 -5.811 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.884 -5.748 -6.830 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.838 -6.848 -5.855 1.00 1.24 H new ATOM 862 N PHE A 57 1.529 -7.342 -5.549 1.00 0.71 N ATOM 863 CA PHE A 57 0.333 -7.984 -5.027 1.00 0.75 C ATOM 864 C PHE A 57 -0.802 -7.959 -6.054 1.00 0.78 C ATOM 865 O PHE A 57 -1.588 -8.903 -6.144 1.00 0.91 O ATOM 866 CB PHE A 57 -0.122 -7.305 -3.730 1.00 0.76 C ATOM 867 CG PHE A 57 -1.328 -7.955 -3.109 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.242 -9.226 -2.565 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.543 -7.291 -3.066 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.347 -9.824 -1.986 1.00 1.79 C ATOM 871 CE2 PHE A 57 -3.651 -7.883 -2.488 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.561 -9.163 -1.976 1.00 2.20 C ATOM 0 H PHE A 57 1.646 -6.369 -5.265 1.00 0.71 H new ATOM 0 HA PHE A 57 0.582 -9.024 -4.815 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.699 -7.319 -3.013 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.347 -6.259 -3.936 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.302 -9.756 -2.593 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.626 -6.300 -3.488 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.261 -10.805 -1.543 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -4.586 -7.345 -2.437 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.437 -9.646 -1.569 1.00 2.20 H new ATOM 882 N GLU A 58 -0.853 -6.894 -6.851 1.00 0.73 N ATOM 883 CA GLU A 58 -2.035 -6.591 -7.655 1.00 0.82 C ATOM 884 C GLU A 58 -2.238 -7.583 -8.775 1.00 0.82 C ATOM 885 O GLU A 58 -3.305 -8.172 -8.895 1.00 0.89 O ATOM 886 CB GLU A 58 -1.956 -5.183 -8.229 1.00 0.86 C ATOM 887 CG GLU A 58 -1.840 -4.123 -7.164 1.00 0.91 C ATOM 888 CD GLU A 58 -1.972 -2.722 -7.714 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.114 -2.222 -7.807 1.00 1.30 O ATOM 890 OE2 GLU A 58 -0.941 -2.116 -8.065 1.00 1.24 O ATOM 0 H GLU A 58 -0.089 -6.226 -6.957 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.891 -6.662 -6.985 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.097 -5.116 -8.897 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.844 -4.991 -8.831 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.610 -4.286 -6.410 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.877 -4.222 -6.663 1.00 0.91 H new ATOM 897 N LEU A 59 -1.204 -7.772 -9.576 1.00 0.81 N ATOM 898 CA LEU A 59 -1.270 -8.652 -10.738 1.00 0.87 C ATOM 899 C LEU A 59 -1.791 -10.029 -10.336 1.00 0.85 C ATOM 900 O LEU A 59 -2.517 -10.676 -11.086 1.00 0.96 O ATOM 901 CB LEU A 59 0.117 -8.798 -11.368 1.00 0.96 C ATOM 902 CG LEU A 59 1.124 -9.579 -10.520 1.00 1.06 C ATOM 903 CD1 LEU A 59 2.393 -9.845 -11.276 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.462 -8.845 -9.255 1.00 1.46 C ATOM 0 H LEU A 59 -0.297 -7.324 -9.444 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.953 -8.210 -11.464 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.013 -9.294 -12.333 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.520 -7.804 -11.562 1.00 0.96 H new ATOM 0 HG LEU A 59 0.648 -10.527 -10.272 1.00 1.06 H new ATOM 0 HD11 LEU A 59 3.084 -10.401 -10.643 1.00 1.54 H new ATOM 0 HD12 LEU A 59 2.169 -10.429 -12.169 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.849 -8.898 -11.566 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.179 -9.428 -8.677 1.00 1.46 H new ATOM 0 HD22 LEU A 59 1.896 -7.876 -9.501 1.00 1.46 H new ATOM 0 HD23 LEU A 59 0.556 -8.698 -8.667 1.00 1.46 H new ATOM 916 N ARG A 60 -1.416 -10.452 -9.134 1.00 0.83 N ATOM 917 CA ARG A 60 -1.804 -11.750 -8.610 1.00 0.90 C ATOM 918 C ARG A 60 -3.327 -11.886 -8.477 1.00 0.98 C ATOM 919 O ARG A 60 -3.932 -12.773 -9.075 1.00 1.15 O ATOM 920 CB ARG A 60 -1.147 -11.990 -7.248 1.00 1.03 C ATOM 921 CG ARG A 60 0.367 -12.108 -7.311 1.00 1.00 C ATOM 922 CD ARG A 60 0.971 -12.257 -5.925 1.00 1.07 C ATOM 923 NE ARG A 60 2.418 -12.463 -5.978 1.00 1.41 N ATOM 924 CZ ARG A 60 3.287 -11.889 -5.143 1.00 1.94 C ATOM 925 NH1 ARG A 60 2.864 -11.063 -4.194 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.583 -12.147 -5.252 1.00 2.58 N ATOM 0 H ARG A 60 -0.836 -9.904 -8.499 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.461 -12.500 -9.322 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.411 -11.172 -6.578 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.556 -12.902 -6.813 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.641 -12.967 -7.923 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.782 -11.225 -7.797 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.753 -11.366 -5.337 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.503 -13.099 -5.414 1.00 1.07 H new ATOM 0 HE ARG A 60 2.786 -13.084 -6.698 1.00 1.41 H new ATOM 0 HH11 ARG A 60 1.868 -10.863 -4.099 1.00 2.43 H new ATOM 0 HH12 ARG A 60 3.535 -10.629 -3.560 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.917 -12.785 -5.975 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.246 -11.708 -4.613 1.00 2.58 H new ATOM 940 N TYR A 61 -3.942 -11.002 -7.696 1.00 1.04 N ATOM 941 CA TYR A 61 -5.368 -11.121 -7.378 1.00 1.26 C ATOM 942 C TYR A 61 -6.245 -10.356 -8.375 1.00 1.32 C ATOM 943 O TYR A 61 -7.470 -10.442 -8.320 1.00 1.59 O ATOM 944 CB TYR A 61 -5.643 -10.603 -5.958 1.00 1.52 C ATOM 945 CG TYR A 61 -5.748 -9.094 -5.869 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.623 -8.291 -5.974 1.00 2.70 C ATOM 947 CD2 TYR A 61 -6.982 -8.471 -5.706 1.00 2.84 C ATOM 948 CE1 TYR A 61 -4.720 -6.915 -5.915 1.00 3.67 C ATOM 949 CE2 TYR A 61 -7.084 -7.095 -5.653 1.00 3.86 C ATOM 950 CZ TYR A 61 -5.950 -6.323 -5.757 1.00 4.23 C ATOM 951 OH TYR A 61 -6.047 -4.952 -5.723 1.00 5.32 O ATOM 0 H TYR A 61 -3.480 -10.197 -7.272 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.623 -12.179 -7.443 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -6.570 -11.045 -5.593 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.846 -10.942 -5.296 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.654 -8.750 -6.104 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.874 -9.074 -5.620 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -3.832 -6.306 -5.993 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.050 -6.627 -5.530 1.00 3.86 H new ATOM 0 HH TYR A 61 -6.985 -4.693 -5.607 1.00 5.32 H new ATOM 961 N ARG A 62 -5.620 -9.605 -9.273 1.00 1.28 N ATOM 962 CA ARG A 62 -6.345 -8.691 -10.161 1.00 1.39 C ATOM 963 C ARG A 62 -7.305 -9.437 -11.089 1.00 1.07 C ATOM 964 O ARG A 62 -8.352 -8.905 -11.455 1.00 1.30 O ATOM 965 CB ARG A 62 -5.354 -7.848 -10.971 1.00 1.72 C ATOM 966 CG ARG A 62 -5.986 -6.717 -11.773 1.00 2.15 C ATOM 967 CD ARG A 62 -6.880 -5.818 -10.921 1.00 2.51 C ATOM 968 NE ARG A 62 -6.261 -5.413 -9.652 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.470 -4.345 -9.500 1.00 3.59 C ATOM 970 NH1 ARG A 62 -5.098 -3.628 -10.555 1.00 3.59 N ATOM 971 NH2 ARG A 62 -5.051 -3.998 -8.285 1.00 4.48 N ATOM 0 H ARG A 62 -4.609 -9.608 -9.410 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.949 -8.031 -9.538 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.617 -7.424 -10.289 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.815 -8.503 -11.655 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -5.199 -6.115 -12.226 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.574 -7.139 -12.588 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -7.136 -4.926 -11.493 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -7.813 -6.341 -10.711 1.00 2.51 H new ATOM 0 HE ARG A 62 -6.447 -5.986 -8.829 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -5.416 -3.891 -11.488 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -4.495 -2.815 -10.432 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -5.333 -4.546 -7.472 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -4.448 -3.184 -8.167 1.00 4.48 H new ATOM 985 N ARG A 63 -6.957 -10.666 -11.451 1.00 0.98 N ATOM 986 CA ARG A 63 -7.814 -11.472 -12.311 1.00 1.19 C ATOM 987 C ARG A 63 -9.125 -11.793 -11.597 1.00 1.20 C ATOM 988 O ARG A 63 -10.198 -11.780 -12.206 1.00 1.45 O ATOM 989 CB ARG A 63 -7.100 -12.763 -12.726 1.00 1.61 C ATOM 990 CG ARG A 63 -7.930 -13.661 -13.629 1.00 2.18 C ATOM 991 CD ARG A 63 -8.316 -12.952 -14.915 1.00 2.52 C ATOM 992 NE ARG A 63 -9.223 -13.755 -15.732 1.00 3.12 N ATOM 993 CZ ARG A 63 -10.062 -13.244 -16.633 1.00 3.84 C ATOM 994 NH1 ARG A 63 -10.102 -11.933 -16.838 1.00 4.07 N ATOM 995 NH2 ARG A 63 -10.861 -14.043 -17.330 1.00 4.72 N ATOM 0 H ARG A 63 -6.092 -11.124 -11.164 1.00 0.98 H new ATOM 0 HA ARG A 63 -8.038 -10.900 -13.212 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.173 -12.506 -13.238 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.825 -13.319 -11.830 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -7.366 -14.563 -13.865 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.830 -13.977 -13.102 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -8.790 -12.000 -14.676 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -7.417 -12.725 -15.488 1.00 2.52 H new ATOM 0 HE ARG A 63 -9.214 -14.767 -15.605 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -9.490 -11.315 -16.306 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -10.745 -11.544 -17.528 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -10.834 -15.051 -17.177 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -11.502 -13.649 -18.019 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.029 -12.083 -10.309 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.204 -12.336 -9.490 1.00 1.09 C ATOM 1011 C ALA A 64 -10.901 -11.034 -9.126 1.00 1.08 C ATOM 1012 O ALA A 64 -12.120 -10.962 -9.168 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.824 -13.092 -8.226 1.00 1.17 C ATOM 0 H ALA A 64 -8.144 -12.149 -9.806 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.893 -12.948 -10.073 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.717 -13.271 -7.627 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.370 -14.046 -8.495 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.113 -12.501 -7.649 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.113 -10.012 -8.793 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.627 -8.724 -8.308 1.00 1.22 C ATOM 1021 C PHE A 65 -11.833 -8.224 -9.106 1.00 1.19 C ATOM 1022 O PHE A 65 -12.847 -7.834 -8.524 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.513 -7.672 -8.332 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.992 -6.279 -8.050 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.583 -5.971 -6.837 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -9.848 -5.277 -8.996 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -11.024 -4.690 -6.571 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.285 -3.995 -8.736 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.883 -3.702 -7.537 1.00 2.81 C ATOM 0 H PHE A 65 -9.095 -10.051 -8.851 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.967 -8.885 -7.285 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.755 -7.942 -7.597 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.030 -7.690 -9.309 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.701 -6.742 -6.090 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -9.389 -5.502 -9.947 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.476 -4.458 -5.618 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -10.156 -3.221 -9.478 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.244 -2.703 -7.344 1.00 2.81 H new ATOM 1039 N SER A 66 -11.727 -8.252 -10.427 1.00 1.20 N ATOM 1040 CA SER A 66 -12.794 -7.764 -11.293 1.00 1.24 C ATOM 1041 C SER A 66 -14.099 -8.537 -11.072 1.00 1.13 C ATOM 1042 O SER A 66 -15.186 -7.958 -11.093 1.00 1.16 O ATOM 1043 CB SER A 66 -12.343 -7.860 -12.750 1.00 1.45 C ATOM 1044 OG SER A 66 -11.558 -9.023 -12.959 1.00 2.19 O ATOM 0 H SER A 66 -10.911 -8.608 -10.925 1.00 1.20 H new ATOM 0 HA SER A 66 -12.997 -6.722 -11.044 1.00 1.24 H new ATOM 0 HB2 SER A 66 -13.214 -7.882 -13.404 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.766 -6.974 -13.016 1.00 1.45 H new ATOM 0 HG SER A 66 -11.281 -9.066 -13.898 1.00 2.19 H new ATOM 1050 N ASP A 67 -13.980 -9.837 -10.833 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.141 -10.694 -10.602 1.00 1.08 C ATOM 1052 C ASP A 67 -15.538 -10.676 -9.130 1.00 0.97 C ATOM 1053 O ASP A 67 -16.710 -10.827 -8.781 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.834 -12.131 -11.032 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.809 -12.305 -12.536 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -15.884 -12.237 -13.169 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -13.715 -12.526 -13.094 1.00 2.72 O ATOM 0 H ASP A 67 -13.086 -10.326 -10.794 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.970 -10.310 -11.196 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.870 -12.429 -10.621 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.582 -12.800 -10.607 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.542 -10.471 -8.277 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.717 -10.482 -6.830 1.00 0.85 C ATOM 1064 C LEU A 68 -15.704 -9.432 -6.354 1.00 0.76 C ATOM 1065 O LEU A 68 -16.188 -9.517 -5.240 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.368 -10.298 -6.128 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.705 -11.593 -5.647 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.880 -12.701 -6.668 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.233 -11.359 -5.350 1.00 1.56 C ATOM 0 H LEU A 68 -13.582 -10.291 -8.572 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.133 -11.455 -6.568 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.686 -9.791 -6.811 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.509 -9.640 -5.271 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.195 -11.906 -4.725 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.401 -13.610 -6.304 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.943 -12.888 -6.823 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.422 -12.402 -7.611 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.778 -12.289 -5.010 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.729 -11.018 -6.254 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.135 -10.601 -4.573 1.00 1.56 H new ATOM 1081 N THR A 69 -16.010 -8.449 -7.186 1.00 0.70 N ATOM 1082 CA THR A 69 -16.950 -7.401 -6.807 1.00 0.62 C ATOM 1083 C THR A 69 -18.308 -7.974 -6.427 1.00 0.63 C ATOM 1084 O THR A 69 -19.032 -7.391 -5.619 1.00 0.60 O ATOM 1085 CB THR A 69 -17.119 -6.382 -7.931 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.121 -7.047 -9.201 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.004 -5.373 -7.874 1.00 0.63 C ATOM 0 H THR A 69 -15.624 -8.353 -8.125 1.00 0.70 H new ATOM 0 HA THR A 69 -16.531 -6.901 -5.934 1.00 0.62 H new ATOM 0 HB THR A 69 -18.071 -5.866 -7.806 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.207 -7.083 -9.553 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.128 -4.648 -8.678 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.028 -4.858 -6.914 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.047 -5.882 -7.989 1.00 0.63 H new ATOM 1095 N SER A 70 -18.635 -9.122 -7.000 1.00 0.72 N ATOM 1096 CA SER A 70 -19.848 -9.833 -6.648 1.00 0.80 C ATOM 1097 C SER A 70 -19.691 -10.442 -5.258 1.00 0.76 C ATOM 1098 O SER A 70 -20.638 -10.519 -4.476 1.00 0.76 O ATOM 1099 CB SER A 70 -20.118 -10.929 -7.678 1.00 0.96 C ATOM 1100 OG SER A 70 -21.439 -11.431 -7.569 1.00 1.34 O ATOM 0 H SER A 70 -18.071 -9.581 -7.715 1.00 0.72 H new ATOM 0 HA SER A 70 -20.691 -9.142 -6.642 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.960 -10.534 -8.681 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.406 -11.743 -7.540 1.00 0.96 H new ATOM 0 HG SER A 70 -21.580 -12.129 -8.242 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.465 -10.844 -4.955 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.136 -11.443 -3.673 1.00 0.77 C ATOM 1108 C GLN A 71 -18.037 -10.362 -2.601 1.00 0.67 C ATOM 1109 O GLN A 71 -18.456 -10.568 -1.463 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.823 -12.223 -3.781 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.771 -13.139 -4.987 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.637 -14.142 -4.926 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.566 -13.790 -4.233 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.727 -15.231 -5.487 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.672 -10.763 -5.592 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.927 -12.137 -3.389 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.993 -11.519 -3.831 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.684 -12.815 -2.877 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.717 -13.674 -5.070 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.666 -12.536 -5.889 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.569 -15.466 -6.012 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.960 -15.900 -5.428 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.479 -9.205 -2.969 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.477 -8.050 -2.089 1.00 0.55 C ATOM 1125 C LEU A 72 -18.890 -7.549 -1.867 1.00 0.47 C ATOM 1126 O LEU A 72 -19.216 -7.055 -0.795 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.672 -6.898 -2.693 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.154 -6.945 -2.545 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.756 -7.235 -1.108 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.527 -7.924 -3.519 1.00 1.35 C ATOM 0 H LEU A 72 -17.026 -9.051 -3.870 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.028 -8.368 -1.148 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.905 -6.847 -3.757 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -17.025 -5.970 -2.244 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.763 -5.959 -2.798 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.669 -7.263 -1.030 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.146 -6.452 -0.457 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.167 -8.198 -0.804 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.445 -7.930 -3.384 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.921 -8.923 -3.335 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.763 -7.623 -4.540 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.730 -7.692 -2.889 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.065 -7.106 -2.866 1.00 0.48 C ATOM 1144 C HIS A 73 -20.922 -5.590 -2.799 1.00 0.43 C ATOM 1145 O HIS A 73 -21.639 -4.907 -2.072 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.886 -7.633 -1.681 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.161 -9.106 -1.743 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -21.512 -10.028 -0.948 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.027 -9.815 -2.507 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -21.964 -11.237 -1.224 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -22.883 -11.136 -2.163 1.00 2.62 N ATOM 0 H HIS A 73 -19.509 -8.208 -3.741 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.602 -7.388 -3.772 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.355 -7.411 -0.755 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.834 -7.097 -1.641 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.704 -9.415 -3.248 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -21.636 -12.155 -0.759 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.403 -11.914 -2.569 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.955 -5.102 -3.577 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.593 -3.689 -3.649 1.00 0.41 C ATOM 1162 C ILE A 74 -20.818 -2.790 -3.786 1.00 0.49 C ATOM 1163 O ILE A 74 -21.547 -2.838 -4.781 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.608 -3.485 -4.819 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.300 -4.192 -4.482 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.358 -2.016 -5.109 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.588 -3.598 -3.281 1.00 0.39 C ATOM 0 H ILE A 74 -19.390 -5.693 -4.187 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.111 -3.401 -2.715 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.048 -3.910 -5.721 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.504 -5.246 -4.290 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.638 -4.147 -5.347 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.659 -1.923 -5.940 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.299 -1.532 -5.371 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.937 -1.537 -4.225 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.665 -4.148 -3.096 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.354 -2.552 -3.478 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.233 -3.667 -2.405 1.00 0.39 H new ATOM 1179 N THR A 75 -21.027 -1.979 -2.762 1.00 0.38 N ATOM 1180 CA THR A 75 -22.256 -1.237 -2.590 1.00 0.40 C ATOM 1181 C THR A 75 -21.976 -0.059 -1.627 1.00 0.37 C ATOM 1182 O THR A 75 -20.808 0.183 -1.312 1.00 0.34 O ATOM 1183 CB THR A 75 -23.332 -2.220 -2.033 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.639 -1.901 -2.524 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.351 -2.237 -0.509 1.00 0.46 C ATOM 0 H THR A 75 -20.341 -1.819 -2.024 1.00 0.38 H new ATOM 0 HA THR A 75 -22.628 -0.821 -3.527 1.00 0.40 H new ATOM 0 HB THR A 75 -23.054 -3.213 -2.387 1.00 0.46 H new ATOM 0 HG1 THR A 75 -24.580 -1.644 -3.468 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.114 -2.934 -0.162 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.376 -2.551 -0.136 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.577 -1.238 -0.137 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.006 0.732 -1.220 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.956 1.673 -0.093 1.00 0.37 C ATOM 1195 C PRO A 76 -22.013 1.270 1.046 1.00 0.35 C ATOM 1196 O PRO A 76 -21.585 0.120 1.133 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.407 1.683 0.405 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.236 1.092 -0.698 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.314 0.838 -1.861 1.00 0.44 C ATOM 0 HA PRO A 76 -22.564 2.637 -0.416 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.507 1.101 1.321 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.732 2.698 0.635 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.707 0.165 -0.371 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.038 1.773 -0.984 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.578 -0.075 -2.395 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.344 1.651 -2.586 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.749 2.250 1.922 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.736 2.178 2.984 1.00 0.37 C ATOM 1209 C GLY A 77 -20.422 0.801 3.543 1.00 0.38 C ATOM 1210 O GLY A 77 -19.275 0.529 3.886 1.00 0.40 O ATOM 0 H GLY A 77 -22.248 3.139 1.911 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.811 2.607 2.600 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.063 2.812 3.808 1.00 0.37 H new ATOM 1214 N THR A 78 -21.416 -0.069 3.613 1.00 0.40 N ATOM 1215 CA THR A 78 -21.244 -1.413 4.141 1.00 0.42 C ATOM 1216 C THR A 78 -20.258 -2.253 3.323 1.00 0.38 C ATOM 1217 O THR A 78 -20.036 -3.424 3.622 1.00 0.40 O ATOM 1218 CB THR A 78 -22.593 -2.132 4.219 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.296 -2.005 2.973 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.419 -1.538 5.337 1.00 0.56 C ATOM 0 H THR A 78 -22.366 0.137 3.305 1.00 0.40 H new ATOM 0 HA THR A 78 -20.823 -1.302 5.140 1.00 0.42 H new ATOM 0 HB THR A 78 -22.421 -3.190 4.418 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.157 -2.470 3.034 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.379 -2.051 5.392 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.890 -1.656 6.283 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.584 -0.478 5.144 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.644 -1.643 2.318 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.576 -2.281 1.574 1.00 0.31 C ATOM 1230 C ALA A 79 -17.337 -2.411 2.452 1.00 0.30 C ATOM 1231 O ALA A 79 -16.399 -3.137 2.127 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.266 -1.490 0.315 1.00 0.32 C ATOM 0 H ALA A 79 -19.872 -0.701 2.001 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.896 -3.280 1.277 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.462 -1.980 -0.234 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.156 -1.441 -0.312 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.957 -0.481 0.586 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.345 -1.707 3.584 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.273 -1.829 4.559 1.00 0.36 C ATOM 1240 C TYR A 80 -16.431 -3.127 5.326 1.00 0.36 C ATOM 1241 O TYR A 80 -15.495 -3.603 5.947 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.245 -0.637 5.523 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.231 -0.702 6.673 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.579 -0.431 6.488 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.801 -1.017 7.956 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.469 -0.470 7.542 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -17.686 -1.061 9.015 1.00 2.52 C ATOM 1248 CZ TYR A 80 -19.017 -0.786 8.804 1.00 3.12 C ATOM 1249 OH TYR A 80 -19.902 -0.824 9.859 1.00 4.13 O ATOM 0 H TYR A 80 -18.081 -1.050 3.843 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.324 -1.835 4.024 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.239 -0.549 5.934 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.437 0.272 4.954 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -18.939 -0.185 5.500 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.757 -1.231 8.128 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.514 -0.254 7.378 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.334 -1.310 10.005 1.00 2.52 H new ATOM 0 HH TYR A 80 -19.423 -1.064 10.680 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.632 -3.690 5.270 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.885 -5.013 5.825 1.00 0.41 C ATOM 1261 C GLN A 81 -17.347 -6.064 4.871 1.00 0.41 C ATOM 1262 O GLN A 81 -16.883 -7.129 5.273 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.382 -5.237 6.052 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.959 -4.496 7.244 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.449 -4.708 7.375 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.118 -4.858 6.245 1.00 1.03 O flip ATOM 1267 NE2 GLN A 81 -21.996 -4.732 8.477 1.00 0.79 N flip ATOM 0 H GLN A 81 -18.448 -3.249 4.845 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.381 -5.091 6.789 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -19.922 -4.932 5.155 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.560 -6.304 6.183 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.463 -4.833 8.155 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.752 -3.431 7.144 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.441 -4.612 9.324 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.004 -4.872 8.543 1.00 0.79 H new ATOM 1276 N SER A 82 -17.415 -5.728 3.603 1.00 0.39 N ATOM 1277 CA SER A 82 -16.875 -6.551 2.541 1.00 0.41 C ATOM 1278 C SER A 82 -15.356 -6.568 2.624 1.00 0.41 C ATOM 1279 O SER A 82 -14.725 -7.623 2.664 1.00 0.48 O ATOM 1280 CB SER A 82 -17.323 -5.962 1.212 1.00 0.41 C ATOM 1281 OG SER A 82 -18.692 -5.594 1.269 1.00 0.43 O ATOM 0 H SER A 82 -17.851 -4.866 3.275 1.00 0.39 H new ATOM 0 HA SER A 82 -17.234 -7.576 2.634 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.715 -5.090 0.971 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.168 -6.689 0.415 1.00 0.41 H new ATOM 0 HG SER A 82 -19.220 -6.213 0.723 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.783 -5.373 2.673 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.349 -5.198 2.825 1.00 0.37 C ATOM 1289 C PHE A 83 -12.904 -5.632 4.229 1.00 0.38 C ATOM 1290 O PHE A 83 -11.726 -5.903 4.469 1.00 0.39 O ATOM 1291 CB PHE A 83 -12.982 -3.735 2.526 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.546 -3.381 2.790 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.541 -3.823 1.943 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.202 -2.614 3.889 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.221 -3.502 2.189 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.884 -2.289 4.140 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.892 -2.723 3.269 1.00 1.18 C ATOM 0 H PHE A 83 -15.302 -4.497 2.608 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.819 -5.832 2.114 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.208 -3.525 1.481 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.618 -3.085 3.126 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -10.793 -4.424 1.082 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.974 -2.265 4.559 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.446 -3.865 1.530 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.625 -1.701 5.008 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.862 -2.447 3.442 1.00 1.18 H new ATOM 1307 N GLU A 84 -13.864 -5.719 5.144 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.597 -6.161 6.508 1.00 0.48 C ATOM 1309 C GLU A 84 -13.132 -7.599 6.517 1.00 0.52 C ATOM 1310 O GLU A 84 -12.147 -7.943 7.164 1.00 0.55 O ATOM 1311 CB GLU A 84 -14.853 -6.063 7.363 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.642 -6.522 8.786 1.00 0.62 C ATOM 1313 CD GLU A 84 -15.852 -6.313 9.664 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.845 -7.055 9.504 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -15.825 -5.388 10.505 1.00 0.80 O ATOM 0 H GLU A 84 -14.841 -5.487 4.963 1.00 0.41 H new ATOM 0 HA GLU A 84 -12.821 -5.514 6.916 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.201 -5.030 7.369 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.642 -6.662 6.908 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.381 -7.580 8.785 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -13.795 -5.985 9.212 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.883 -8.428 5.809 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.559 -9.843 5.632 1.00 0.65 C ATOM 1324 C GLN A 85 -12.099 -10.006 5.271 1.00 0.64 C ATOM 1325 O GLN A 85 -11.432 -10.950 5.692 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.410 -10.427 4.508 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.873 -10.110 4.654 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.716 -10.646 3.527 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.395 -11.660 2.908 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.817 -9.977 3.265 1.00 1.62 N ATOM 0 H GLN A 85 -14.740 -8.141 5.337 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.762 -10.365 6.567 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.054 -10.042 3.552 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.279 -11.509 4.485 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.234 -10.522 5.596 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -15.999 -9.029 4.710 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.046 -9.141 3.803 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.442 -10.294 2.524 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.617 -9.050 4.507 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.271 -9.080 4.000 1.00 0.62 C ATOM 1341 C VAL A 86 -9.286 -8.590 5.041 1.00 0.55 C ATOM 1342 O VAL A 86 -8.338 -9.275 5.372 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.119 -8.197 2.766 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.029 -8.773 1.909 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.428 -8.074 2.006 1.00 1.30 C ATOM 0 H VAL A 86 -12.152 -8.230 4.222 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.062 -10.118 3.741 1.00 0.62 H new ATOM 0 HB VAL A 86 -9.848 -7.185 3.067 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -8.902 -8.157 1.019 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.096 -8.794 2.472 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.297 -9.787 1.613 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.283 -7.438 1.133 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.756 -9.062 1.685 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.185 -7.633 2.654 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.505 -7.400 5.564 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.590 -6.844 6.551 1.00 0.51 C ATOM 1357 C VAL A 87 -8.493 -7.787 7.746 1.00 0.56 C ATOM 1358 O VAL A 87 -7.481 -7.846 8.438 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.044 -5.440 7.008 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.342 -5.498 7.800 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -7.950 -4.754 7.809 1.00 0.85 C ATOM 0 H VAL A 87 -10.297 -6.803 5.328 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.607 -6.740 6.091 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.236 -4.849 6.112 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.628 -4.491 8.104 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.128 -5.927 7.179 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.200 -6.117 8.686 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.292 -3.767 8.120 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.715 -5.351 8.690 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.057 -4.651 7.192 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.560 -8.545 7.935 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.636 -9.573 8.957 1.00 0.71 C ATOM 1373 C ASN A 88 -8.699 -10.738 8.660 1.00 0.78 C ATOM 1374 O ASN A 88 -8.054 -11.272 9.564 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.061 -10.076 9.057 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.776 -9.504 10.256 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.700 -10.050 11.357 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.476 -8.402 10.061 1.00 0.73 N ATOM 0 H ASN A 88 -10.408 -8.462 7.375 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.325 -9.132 9.904 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.604 -9.811 8.150 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.058 -11.164 9.121 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -12.979 -7.973 10.838 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.514 -7.980 9.133 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.623 -11.141 7.397 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.746 -12.232 7.016 1.00 0.84 C ATOM 1387 C GLU A 89 -6.327 -11.730 6.902 1.00 0.82 C ATOM 1388 O GLU A 89 -5.364 -12.427 7.234 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.194 -12.886 5.704 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.415 -11.946 4.545 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.206 -11.689 3.687 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.091 -11.912 4.182 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -7.361 -11.260 2.529 1.00 2.87 O ATOM 0 H GLU A 89 -9.154 -10.731 6.629 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.796 -12.996 7.792 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.445 -13.622 5.413 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.121 -13.430 5.889 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.207 -12.351 3.916 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.773 -10.993 4.934 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.222 -10.491 6.474 1.00 0.69 N ATOM 1401 CA LEU A 90 -4.961 -9.929 6.070 1.00 0.64 C ATOM 1402 C LEU A 90 -4.007 -9.750 7.248 1.00 0.70 C ATOM 1403 O LEU A 90 -2.794 -9.671 7.070 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.203 -8.612 5.357 1.00 0.56 C ATOM 1405 CG LEU A 90 -5.690 -8.769 3.916 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -6.150 -7.455 3.388 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -4.613 -9.317 2.998 1.00 1.28 C ATOM 0 H LEU A 90 -7.011 -9.849 6.398 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.478 -10.627 5.386 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -5.939 -8.036 5.918 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.278 -8.035 5.357 1.00 0.56 H new ATOM 0 HG LEU A 90 -6.513 -9.483 3.936 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -6.495 -7.576 2.361 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -6.968 -7.082 4.004 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.324 -6.744 3.412 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.009 -9.410 1.987 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -3.760 -8.639 2.993 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -4.295 -10.297 3.354 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.553 -9.678 8.455 1.00 0.73 N ATOM 1420 CA PHE A 91 -3.720 -9.516 9.641 1.00 0.82 C ATOM 1421 C PHE A 91 -3.678 -10.785 10.485 1.00 0.91 C ATOM 1422 O PHE A 91 -2.713 -11.022 11.210 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.198 -8.329 10.490 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.298 -8.646 11.471 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -6.617 -8.720 11.049 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.017 -8.878 12.806 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -7.631 -9.015 11.942 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.026 -9.173 13.703 1.00 1.75 C ATOM 1429 CZ PHE A 91 -7.323 -9.222 13.289 1.00 2.23 C ATOM 0 H PHE A 91 -5.555 -9.728 8.639 1.00 0.73 H new ATOM 0 HA PHE A 91 -2.707 -9.314 9.294 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -3.346 -7.929 11.040 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -4.544 -7.541 9.822 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -6.855 -8.545 10.010 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -3.995 -8.828 13.152 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -8.653 -9.085 11.601 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -5.785 -9.366 14.738 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.111 -9.420 14.000 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.708 -11.612 10.366 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.867 -12.765 11.250 1.00 1.11 C ATOM 1441 C ARG A 92 -3.795 -13.823 10.996 1.00 0.83 C ATOM 1442 O ARG A 92 -3.452 -14.597 11.885 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.270 -13.380 11.090 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.292 -14.761 10.441 1.00 1.62 C ATOM 1445 CD ARG A 92 -6.323 -14.698 8.929 1.00 2.21 C ATOM 1446 NE ARG A 92 -5.979 -15.984 8.321 1.00 3.27 N ATOM 1447 CZ ARG A 92 -6.557 -16.464 7.224 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -7.634 -15.870 6.729 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -6.091 -17.570 6.655 1.00 5.06 N ATOM 0 H ARG A 92 -5.445 -11.509 9.669 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.750 -12.410 12.274 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.736 -13.448 12.073 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.882 -12.704 10.493 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -5.412 -15.321 10.759 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -7.164 -15.310 10.795 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -7.317 -14.395 8.599 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -5.626 -13.935 8.583 1.00 2.21 H new ATOM 0 HE ARG A 92 -5.253 -16.546 8.765 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -8.019 -15.045 7.190 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -8.078 -16.238 5.887 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -5.289 -18.052 7.060 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -6.536 -17.937 5.813 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.267 -13.839 9.786 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.394 -14.921 9.353 1.00 1.10 C ATOM 1465 C ASP A 93 -0.917 -14.554 9.493 1.00 1.31 C ATOM 1466 O ASP A 93 -0.035 -15.376 9.236 1.00 1.88 O ATOM 1467 CB ASP A 93 -2.746 -15.285 7.907 1.00 1.65 C ATOM 1468 CG ASP A 93 -1.828 -16.321 7.290 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -1.839 -17.484 7.744 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -1.111 -15.982 6.327 1.00 3.12 O ATOM 0 H ASP A 93 -3.426 -13.116 9.084 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.553 -15.786 9.997 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -3.770 -15.658 7.876 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -2.717 -14.381 7.299 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.632 -13.342 9.945 1.00 1.11 N ATOM 1476 CA GLY A 94 0.753 -12.934 10.022 1.00 1.69 C ATOM 1477 C GLY A 94 1.017 -11.589 9.386 1.00 1.62 C ATOM 1478 O GLY A 94 1.677 -11.519 8.350 1.00 2.31 O ATOM 0 H GLY A 94 -1.316 -12.650 10.252 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.056 -12.899 11.068 1.00 1.69 H new ATOM 0 HA3 GLY A 94 1.374 -13.686 9.535 1.00 1.69 H new ATOM 1482 N VAL A 95 0.497 -10.513 9.975 1.00 0.85 N ATOM 1483 CA VAL A 95 0.673 -9.197 9.376 1.00 0.67 C ATOM 1484 C VAL A 95 2.119 -8.736 9.496 1.00 0.62 C ATOM 1485 O VAL A 95 2.607 -8.331 10.546 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.280 -8.114 9.954 1.00 0.59 C ATOM 1487 CG1 VAL A 95 -0.557 -8.335 11.419 1.00 0.84 C ATOM 1488 CG2 VAL A 95 0.291 -6.720 9.726 1.00 1.06 C ATOM 0 H VAL A 95 -0.036 -10.526 10.844 1.00 0.85 H new ATOM 0 HA VAL A 95 0.410 -9.314 8.325 1.00 0.67 H new ATOM 0 HB VAL A 95 -1.228 -8.198 9.423 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -1.227 -7.557 11.784 1.00 0.84 H new ATOM 0 HG12 VAL A 95 -1.024 -9.310 11.558 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.379 -8.298 11.976 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -0.391 -5.976 10.138 1.00 1.06 H new ATOM 0 HG22 VAL A 95 1.259 -6.638 10.220 1.00 1.06 H new ATOM 0 HG23 VAL A 95 0.414 -6.547 8.657 1.00 1.06 H new ATOM 1498 N ASN A 96 2.803 -8.898 8.393 1.00 0.76 N ATOM 1499 CA ASN A 96 4.146 -8.384 8.211 1.00 0.86 C ATOM 1500 C ASN A 96 4.102 -7.247 7.208 1.00 0.72 C ATOM 1501 O ASN A 96 3.014 -6.827 6.805 1.00 0.62 O ATOM 1502 CB ASN A 96 5.106 -9.486 7.727 1.00 1.17 C ATOM 1503 CG ASN A 96 4.449 -10.522 6.828 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.509 -10.094 5.998 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.814 -11.698 6.855 1.00 1.67 N flip ATOM 0 H ASN A 96 2.442 -9.398 7.580 1.00 0.76 H new ATOM 0 HA ASN A 96 4.520 -8.023 9.169 1.00 0.86 H new ATOM 0 HB2 ASN A 96 5.933 -9.023 7.188 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.533 -9.990 8.594 1.00 1.17 H new ATOM 0 HD21 ASN A 96 5.541 -11.992 7.508 1.00 1.67 H new ATOM 0 HD22 ASN A 96 4.389 -12.378 6.225 1.00 1.67 H new ATOM 1512 N TRP A 97 5.272 -6.777 6.795 1.00 0.77 N ATOM 1513 CA TRP A 97 5.383 -5.706 5.807 1.00 0.72 C ATOM 1514 C TRP A 97 4.451 -5.957 4.621 1.00 0.63 C ATOM 1515 O TRP A 97 3.634 -5.109 4.261 1.00 0.59 O ATOM 1516 CB TRP A 97 6.823 -5.609 5.293 1.00 0.86 C ATOM 1517 CG TRP A 97 7.857 -5.436 6.367 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.301 -4.259 6.901 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.593 -6.476 7.022 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.265 -4.506 7.847 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.459 -5.859 7.942 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.600 -7.870 6.923 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.324 -6.585 8.755 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.459 -8.589 7.732 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.309 -7.947 8.638 1.00 3.34 C ATOM 0 H TRP A 97 6.169 -7.125 7.133 1.00 0.77 H new ATOM 0 HA TRP A 97 5.098 -4.773 6.294 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.054 -6.510 4.725 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.893 -4.770 4.601 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.946 -3.279 6.620 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.757 -3.797 8.391 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.947 -8.376 6.227 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.983 -6.090 9.453 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.474 -9.667 7.663 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.967 -8.539 9.257 1.00 3.34 H new ATOM 1536 N GLY A 98 4.565 -7.150 4.051 1.00 0.69 N ATOM 1537 CA GLY A 98 3.828 -7.505 2.853 1.00 0.69 C ATOM 1538 C GLY A 98 2.318 -7.566 3.038 1.00 0.62 C ATOM 1539 O GLY A 98 1.564 -7.335 2.092 1.00 0.61 O ATOM 0 H GLY A 98 5.168 -7.892 4.406 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.057 -6.780 2.072 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.178 -8.475 2.500 1.00 0.69 H new ATOM 1543 N ARG A 99 1.868 -7.868 4.249 1.00 0.65 N ATOM 1544 CA ARG A 99 0.441 -8.041 4.509 1.00 0.67 C ATOM 1545 C ARG A 99 -0.288 -6.708 4.479 1.00 0.53 C ATOM 1546 O ARG A 99 -1.413 -6.611 3.989 1.00 0.55 O ATOM 1547 CB ARG A 99 0.214 -8.722 5.856 1.00 0.82 C ATOM 1548 CG ARG A 99 0.189 -10.237 5.778 1.00 1.04 C ATOM 1549 CD ARG A 99 -0.934 -10.717 4.875 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.221 -12.135 5.054 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.408 -12.683 4.812 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.390 -11.942 4.319 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -2.605 -13.968 5.056 1.00 4.24 N ATOM 0 H ARG A 99 2.466 -7.998 5.065 1.00 0.65 H new ATOM 0 HA ARG A 99 0.039 -8.675 3.719 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.001 -8.416 6.545 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -0.730 -8.373 6.275 1.00 0.82 H new ATOM 0 HG2 ARG A 99 1.145 -10.601 5.401 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.061 -10.654 6.777 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.834 -10.138 5.080 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.665 -10.532 3.835 1.00 1.50 H new ATOM 0 HE ARG A 99 -0.469 -12.741 5.383 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.235 -10.953 4.126 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -4.301 -12.361 4.133 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -1.846 -14.538 5.430 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -3.516 -14.389 4.870 1.00 4.24 H new ATOM 1567 N ILE A 100 0.364 -5.688 4.998 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.211 -4.355 5.042 1.00 0.36 C ATOM 1569 C ILE A 100 -0.285 -3.763 3.643 1.00 0.33 C ATOM 1570 O ILE A 100 -1.207 -3.013 3.313 1.00 0.34 O ATOM 1571 CB ILE A 100 0.614 -3.464 5.981 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.535 -4.052 7.388 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.114 -2.029 5.952 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.416 -3.369 8.396 1.00 0.34 C ATOM 0 H ILE A 100 1.300 -5.756 5.399 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.228 -4.415 5.431 1.00 0.36 H new ATOM 0 HB ILE A 100 1.653 -3.440 5.652 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.498 -4.001 7.733 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.805 -5.107 7.343 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.716 -1.420 6.626 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.195 -1.636 4.938 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.928 -2.000 6.270 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.298 -3.850 9.367 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.456 -3.442 8.079 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.134 -2.319 8.474 1.00 0.34 H new ATOM 1586 N VAL A 101 0.688 -4.124 2.823 1.00 0.33 N ATOM 1587 CA VAL A 101 0.658 -3.810 1.403 1.00 0.35 C ATOM 1588 C VAL A 101 -0.617 -4.363 0.775 1.00 0.37 C ATOM 1589 O VAL A 101 -1.374 -3.642 0.136 1.00 0.45 O ATOM 1590 CB VAL A 101 1.862 -4.428 0.678 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.867 -4.032 -0.783 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.154 -4.026 1.355 1.00 1.32 C ATOM 0 H VAL A 101 1.516 -4.640 3.120 1.00 0.33 H new ATOM 0 HA VAL A 101 0.692 -2.725 1.301 1.00 0.35 H new ATOM 0 HB VAL A 101 1.777 -5.513 0.731 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.728 -4.480 -1.279 1.00 1.35 H new ATOM 0 HG12 VAL A 101 0.951 -4.383 -1.258 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.925 -2.947 -0.866 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.996 -4.474 0.827 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.251 -2.940 1.339 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.147 -4.374 2.388 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.835 -5.657 0.958 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.051 -6.311 0.472 1.00 0.39 C ATOM 1604 C ALA A 102 -3.296 -5.555 0.923 1.00 0.35 C ATOM 1605 O ALA A 102 -4.194 -5.270 0.127 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.118 -7.742 0.974 1.00 0.44 C ATOM 0 H ALA A 102 -0.187 -6.280 1.440 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.017 -6.311 -0.617 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.028 -8.215 0.604 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.250 -8.295 0.615 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.125 -7.745 2.064 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.316 -5.227 2.206 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.413 -4.497 2.823 1.00 0.34 C ATOM 1614 C PHE A 103 -4.697 -3.176 2.106 1.00 0.31 C ATOM 1615 O PHE A 103 -5.830 -2.914 1.701 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.079 -4.260 4.301 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.806 -3.104 4.933 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.133 -3.237 5.318 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.173 -1.893 5.143 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.810 -2.184 5.899 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.847 -0.835 5.725 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.131 -0.956 6.095 1.00 1.49 C ATOM 0 H PHE A 103 -2.564 -5.462 2.854 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.321 -5.094 2.741 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.309 -5.166 4.861 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.006 -4.092 4.394 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.642 -4.176 5.161 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.141 -1.772 4.849 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.841 -2.294 6.200 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.333 0.101 5.884 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.646 -0.118 6.542 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.672 -2.355 1.935 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.865 -1.032 1.361 1.00 0.40 C ATOM 1634 C PHE A 104 -4.056 -1.123 -0.156 1.00 0.39 C ATOM 1635 O PHE A 104 -4.644 -0.233 -0.773 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.696 -0.106 1.751 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.661 0.112 0.683 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -0.800 -0.900 0.312 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.546 1.341 0.060 1.00 1.79 C ATOM 1640 CE1 PHE A 104 0.152 -0.699 -0.665 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.594 1.550 -0.916 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.252 0.528 -1.280 1.00 3.29 C ATOM 0 H PHE A 104 -2.708 -2.578 2.182 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.776 -0.594 1.769 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -3.103 0.862 2.041 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.204 -0.521 2.630 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -0.873 -1.864 0.794 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -2.209 2.146 0.341 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.817 -1.502 -0.947 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.513 2.515 -1.394 1.00 2.90 H new ATOM 0 HZ PHE A 104 0.994 0.689 -2.048 1.00 3.29 H new ATOM 1652 N SER A 105 -3.586 -2.220 -0.743 1.00 0.37 N ATOM 1653 CA SER A 105 -3.742 -2.462 -2.170 1.00 0.44 C ATOM 1654 C SER A 105 -5.204 -2.753 -2.510 1.00 0.40 C ATOM 1655 O SER A 105 -5.803 -2.083 -3.354 1.00 0.45 O ATOM 1656 CB SER A 105 -2.848 -3.627 -2.610 1.00 0.50 C ATOM 1657 OG SER A 105 -2.973 -3.885 -3.997 1.00 1.19 O ATOM 0 H SER A 105 -3.090 -2.960 -0.246 1.00 0.37 H new ATOM 0 HA SER A 105 -3.438 -1.565 -2.709 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.809 -3.398 -2.374 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.113 -4.522 -2.047 1.00 0.50 H new ATOM 0 HG SER A 105 -2.848 -3.052 -4.497 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.782 -3.740 -1.834 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.178 -4.093 -2.052 1.00 0.37 C ATOM 1665 C PHE A 106 -8.078 -2.931 -1.638 1.00 0.31 C ATOM 1666 O PHE A 106 -9.182 -2.770 -2.153 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.541 -5.355 -1.268 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.860 -5.949 -1.671 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -9.009 -6.574 -2.897 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.950 -5.878 -0.821 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -10.222 -7.119 -3.266 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.166 -6.422 -1.185 1.00 2.53 C ATOM 1673 CZ PHE A 106 -11.293 -7.050 -2.427 1.00 2.89 C ATOM 0 H PHE A 106 -5.306 -4.308 -1.133 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.328 -4.295 -3.113 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.757 -6.099 -1.409 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.568 -5.118 -0.204 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -8.168 -6.636 -3.571 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.848 -5.392 0.138 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -10.323 -7.603 -4.226 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -12.011 -6.363 -0.516 1.00 2.53 H new ATOM 0 HZ PHE A 106 -12.239 -7.480 -2.721 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.584 -2.119 -0.709 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.318 -0.954 -0.258 1.00 0.28 C ATOM 1685 C GLY A 107 -8.403 0.127 -1.315 1.00 0.24 C ATOM 1686 O GLY A 107 -9.476 0.680 -1.559 1.00 0.27 O ATOM 0 H GLY A 107 -6.679 -2.251 -0.257 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.325 -1.254 0.032 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.838 -0.549 0.633 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.274 0.437 -1.943 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.280 1.396 -3.032 1.00 0.22 C ATOM 1692 C GLY A 108 -8.166 0.924 -4.163 1.00 0.22 C ATOM 1693 O GLY A 108 -8.811 1.719 -4.846 1.00 0.23 O ATOM 0 H GLY A 108 -6.360 0.044 -1.719 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.631 2.362 -2.669 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.264 1.543 -3.398 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.198 -0.386 -4.339 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.047 -1.019 -5.330 1.00 0.26 C ATOM 1699 C ALA A 109 -10.516 -0.964 -4.909 1.00 0.27 C ATOM 1700 O ALA A 109 -11.413 -0.890 -5.749 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.601 -2.457 -5.521 1.00 0.29 C ATOM 0 H ALA A 109 -7.634 -1.041 -3.797 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.955 -0.481 -6.273 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.235 -2.939 -6.265 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.565 -2.475 -5.861 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.681 -2.992 -4.575 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.746 -0.978 -3.598 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.097 -0.927 -3.037 1.00 0.28 C ATOM 1709 C LEU A 110 -12.742 0.391 -3.436 1.00 0.24 C ATOM 1710 O LEU A 110 -13.916 0.453 -3.814 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.026 -1.032 -1.509 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.101 -1.892 -0.831 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.495 -1.341 -1.063 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.010 -3.333 -1.310 1.00 1.12 C ATOM 0 H LEU A 110 -10.007 -1.025 -2.897 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.690 -1.758 -3.419 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.049 -1.433 -1.240 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.083 -0.025 -1.095 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.914 -1.864 0.242 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.226 -1.979 -0.566 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.559 -0.332 -0.657 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.703 -1.316 -2.133 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.779 -3.929 -0.819 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.158 -3.368 -2.389 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.027 -3.736 -1.065 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.933 1.435 -3.341 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.293 2.767 -3.786 1.00 0.19 C ATOM 1728 C CYS A 111 -12.837 2.737 -5.206 1.00 0.20 C ATOM 1729 O CYS A 111 -13.942 3.208 -5.468 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.051 3.648 -3.716 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.253 5.295 -4.411 1.00 0.22 S ATOM 0 H CYS A 111 -10.994 1.377 -2.946 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.076 3.167 -3.142 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.749 3.744 -2.673 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.237 3.146 -4.239 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.239 6.035 -4.074 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.069 2.143 -6.107 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.428 2.109 -7.513 1.00 0.22 C ATOM 1739 C VAL A 112 -13.727 1.356 -7.750 1.00 0.22 C ATOM 1740 O VAL A 112 -14.574 1.814 -8.507 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.320 1.480 -8.364 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.814 1.245 -9.776 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.112 2.384 -8.383 1.00 0.27 C ATOM 0 H VAL A 112 -11.189 1.676 -5.886 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.564 3.147 -7.816 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.041 0.521 -7.927 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.017 0.798 -10.370 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.672 0.573 -9.754 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.109 2.195 -10.221 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.328 1.931 -8.990 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.387 3.350 -8.807 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.747 2.525 -7.366 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.887 0.205 -7.114 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.107 -0.573 -7.275 1.00 0.28 C ATOM 1755 C GLU A 113 -16.323 0.205 -6.815 1.00 0.23 C ATOM 1756 O GLU A 113 -17.429 -0.005 -7.305 1.00 0.29 O ATOM 1757 CB GLU A 113 -15.003 -1.904 -6.567 1.00 0.40 C ATOM 1758 CG GLU A 113 -14.104 -2.851 -7.324 1.00 0.53 C ATOM 1759 CD GLU A 113 -14.231 -2.700 -8.837 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -15.352 -2.848 -9.365 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -13.204 -2.435 -9.506 1.00 2.51 O ATOM 0 H GLU A 113 -13.196 -0.208 -6.488 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.233 -0.774 -8.339 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.614 -1.755 -5.560 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.995 -2.343 -6.464 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -13.069 -2.675 -7.031 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -14.345 -3.876 -7.044 1.00 0.53 H new ATOM 1768 N SER A 114 -16.111 1.135 -5.908 1.00 0.18 N ATOM 1769 CA SER A 114 -17.173 2.018 -5.481 1.00 0.19 C ATOM 1770 C SER A 114 -17.448 3.018 -6.591 1.00 0.22 C ATOM 1771 O SER A 114 -18.585 3.314 -6.913 1.00 0.28 O ATOM 1772 CB SER A 114 -16.775 2.729 -4.191 1.00 0.18 C ATOM 1773 OG SER A 114 -16.417 1.790 -3.188 1.00 0.20 O ATOM 0 H SER A 114 -15.213 1.298 -5.453 1.00 0.18 H new ATOM 0 HA SER A 114 -18.079 1.447 -5.280 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.937 3.400 -4.383 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.603 3.345 -3.840 1.00 0.18 H new ATOM 0 HG SER A 114 -15.572 1.358 -3.431 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.382 3.456 -7.230 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.458 4.443 -8.293 1.00 0.27 C ATOM 1781 C VAL A 115 -17.134 3.833 -9.500 1.00 0.28 C ATOM 1782 O VAL A 115 -17.922 4.474 -10.195 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.042 4.892 -8.679 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.056 5.901 -9.802 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.338 5.449 -7.469 1.00 1.10 C ATOM 0 H VAL A 115 -15.434 3.138 -7.027 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.032 5.303 -7.947 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.498 4.020 -9.043 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.033 6.191 -10.043 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.525 5.460 -10.682 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.620 6.781 -9.493 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.333 5.767 -7.747 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.895 6.303 -7.085 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.275 4.680 -6.699 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.817 2.572 -9.698 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.300 1.789 -10.812 1.00 0.34 C ATOM 1797 C ASP A 116 -18.819 1.784 -10.873 1.00 0.35 C ATOM 1798 O ASP A 116 -19.415 2.087 -11.907 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.798 0.368 -10.639 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.053 -0.484 -11.866 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.241 -0.425 -12.813 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -18.062 -1.216 -11.893 1.00 0.60 O ATOM 0 H ASP A 116 -16.201 2.051 -9.073 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.933 2.226 -11.740 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.729 0.386 -10.427 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.286 -0.085 -9.776 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.443 1.464 -9.749 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.894 1.385 -9.679 1.00 0.35 C ATOM 1809 C LYS A 117 -21.481 2.766 -9.394 1.00 0.34 C ATOM 1810 O LYS A 117 -22.643 2.890 -9.005 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.338 0.391 -8.595 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.269 -0.613 -8.169 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.789 -1.491 -9.310 1.00 0.45 C ATOM 1814 CE LYS A 117 -18.635 -2.380 -8.866 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.005 -3.099 -10.004 1.00 1.62 N ATOM 0 H LYS A 117 -18.966 1.255 -8.872 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.263 1.030 -10.641 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.660 0.952 -7.718 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.207 -0.157 -8.959 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.419 -0.074 -7.751 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.668 -1.245 -7.375 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.612 -2.109 -9.669 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.471 -0.867 -10.145 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -17.883 -1.771 -8.363 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.998 -3.105 -8.137 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -16.976 -3.142 -9.861 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -18.387 -4.065 -10.059 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.211 -2.595 -10.890 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.653 3.795 -9.591 1.00 0.31 N ATOM 1830 CA GLU A 118 -21.050 5.191 -9.404 1.00 0.33 C ATOM 1831 C GLU A 118 -21.376 5.470 -7.944 1.00 0.31 C ATOM 1832 O GLU A 118 -22.398 6.069 -7.616 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.233 5.547 -10.305 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.947 5.324 -11.780 1.00 0.49 C ATOM 1835 CD GLU A 118 -23.075 5.793 -12.669 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.119 6.996 -13.001 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -23.932 4.958 -13.032 1.00 1.88 O ATOM 0 H GLU A 118 -19.683 3.681 -9.886 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.208 5.823 -9.689 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -23.097 4.949 -10.014 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.501 6.592 -10.147 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -21.032 5.850 -12.052 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.769 4.263 -11.955 1.00 0.49 H new ATOM 1844 N MET A 119 -20.478 5.039 -7.079 1.00 0.26 N ATOM 1845 CA MET A 119 -20.618 5.212 -5.641 1.00 0.26 C ATOM 1846 C MET A 119 -19.339 5.849 -5.116 1.00 0.25 C ATOM 1847 O MET A 119 -18.793 5.453 -4.092 1.00 0.23 O ATOM 1848 CB MET A 119 -20.846 3.856 -4.969 1.00 0.25 C ATOM 1849 CG MET A 119 -22.007 3.066 -5.549 1.00 0.28 C ATOM 1850 SD MET A 119 -22.074 1.385 -4.907 1.00 0.31 S ATOM 1851 CE MET A 119 -20.375 0.877 -5.160 1.00 0.29 C ATOM 0 H MET A 119 -19.623 4.555 -7.354 1.00 0.26 H new ATOM 0 HA MET A 119 -21.474 5.849 -5.419 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.936 3.262 -5.056 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.023 4.014 -3.905 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.942 3.578 -5.321 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.917 3.035 -6.635 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.339 -0.198 -5.334 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.964 1.399 -6.025 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.787 1.121 -4.276 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.866 6.839 -5.852 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.609 7.510 -5.573 1.00 0.31 C ATOM 1863 C GLN A 120 -17.588 8.206 -4.207 1.00 0.32 C ATOM 1864 O GLN A 120 -16.551 8.707 -3.780 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.353 8.506 -6.689 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.535 7.886 -8.063 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.582 8.591 -8.900 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.198 7.862 -9.817 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.818 9.788 -8.742 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.351 7.204 -6.672 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.819 6.760 -5.531 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.031 9.352 -6.581 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.339 8.897 -6.600 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.582 7.905 -8.592 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.815 6.839 -7.948 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.322 10.315 -8.024 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.510 10.253 -9.329 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.724 8.256 -3.528 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.764 8.787 -2.170 1.00 0.35 C ATOM 1880 C VAL A 121 -17.987 7.888 -1.204 1.00 0.31 C ATOM 1881 O VAL A 121 -17.496 8.350 -0.173 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.206 8.950 -1.654 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.943 10.020 -2.444 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.943 7.623 -1.723 1.00 0.38 C ATOM 0 H VAL A 121 -19.624 7.939 -3.889 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.297 9.771 -2.211 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.167 9.269 -0.612 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.959 10.118 -2.063 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.423 10.972 -2.340 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.976 9.737 -3.496 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.961 7.753 -1.355 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.972 7.276 -2.756 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.426 6.887 -1.107 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.857 6.609 -1.555 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.137 5.652 -0.721 1.00 0.21 C ATOM 1896 C LEU A 122 -15.652 5.926 -0.776 1.00 0.19 C ATOM 1897 O LEU A 122 -14.932 5.620 0.161 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.388 4.205 -1.162 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.744 3.606 -0.786 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.042 3.847 0.679 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.848 4.161 -1.663 1.00 0.22 C ATOM 0 H LEU A 122 -18.242 6.213 -2.413 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.507 5.773 0.297 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.281 4.154 -2.246 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.606 3.577 -0.734 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.699 2.530 -0.954 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.011 3.414 0.929 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.268 3.381 1.289 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.062 4.919 0.875 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.801 3.718 -1.373 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.900 5.243 -1.542 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.639 3.922 -2.706 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.213 6.509 -1.881 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.805 6.824 -2.094 1.00 0.20 C ATOM 1915 C VAL A 123 -13.170 7.485 -0.867 1.00 0.22 C ATOM 1916 O VAL A 123 -12.163 7.003 -0.345 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.656 7.738 -3.324 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.235 8.265 -3.466 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.082 6.976 -4.569 1.00 0.23 C ATOM 0 H VAL A 123 -15.820 6.778 -2.655 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.278 5.885 -2.266 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.302 8.606 -3.193 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.171 8.906 -4.345 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.970 8.839 -2.578 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.546 7.428 -3.576 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.978 7.619 -5.443 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.451 6.095 -4.690 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.122 6.666 -4.468 1.00 0.23 H new ATOM 1929 N SER A 124 -13.773 8.564 -0.391 1.00 0.24 N ATOM 1930 CA SER A 124 -13.218 9.298 0.741 1.00 0.28 C ATOM 1931 C SER A 124 -13.460 8.536 2.043 1.00 0.27 C ATOM 1932 O SER A 124 -12.712 8.686 3.014 1.00 0.33 O ATOM 1933 CB SER A 124 -13.847 10.689 0.825 1.00 0.36 C ATOM 1934 OG SER A 124 -13.017 11.598 1.539 1.00 1.35 O ATOM 0 H SER A 124 -14.640 8.950 -0.766 1.00 0.24 H new ATOM 0 HA SER A 124 -12.143 9.402 0.593 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.024 11.070 -0.181 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.818 10.621 1.315 1.00 0.36 H new ATOM 0 HG SER A 124 -13.571 12.158 2.122 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.505 7.718 2.061 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.842 6.937 3.239 1.00 0.23 C ATOM 1942 C ARG A 125 -13.824 5.824 3.434 1.00 0.21 C ATOM 1943 O ARG A 125 -13.243 5.683 4.504 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.233 6.318 3.108 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.339 7.302 2.780 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.695 6.638 2.884 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.779 7.501 2.413 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.053 7.109 2.318 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.425 5.928 2.795 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -21.960 7.921 1.788 1.00 2.67 N ATOM 0 H ARG A 125 -15.134 7.580 1.270 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.832 7.607 4.098 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.204 5.554 2.331 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.480 5.813 4.042 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.291 8.151 3.462 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.197 7.694 1.773 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.690 5.716 2.302 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.881 6.360 3.921 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.549 8.457 2.142 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.738 5.317 3.236 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.398 5.632 2.721 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.684 8.844 1.453 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.932 7.622 1.716 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.623 5.042 2.384 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.693 3.920 2.408 1.00 0.19 C ATOM 1966 C ILE A 126 -11.301 4.357 2.845 1.00 0.20 C ATOM 1967 O ILE A 126 -10.729 3.758 3.746 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.617 3.238 1.028 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.018 2.779 0.617 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.650 2.059 1.060 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.108 2.245 -0.791 1.00 0.18 C ATOM 0 H ILE A 126 -14.099 5.166 1.491 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.072 3.204 3.137 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.243 3.952 0.294 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.352 2.005 1.309 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.707 3.617 0.720 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.612 1.593 0.076 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.655 2.412 1.333 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.990 1.329 1.794 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.134 1.942 -1.000 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.808 3.022 -1.495 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.447 1.385 -0.897 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.765 5.405 2.226 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.438 5.902 2.588 1.00 0.24 C ATOM 1985 C ALA A 127 -9.376 6.265 4.070 1.00 0.24 C ATOM 1986 O ALA A 127 -8.364 6.037 4.735 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.062 7.098 1.732 1.00 0.27 C ATOM 0 H ALA A 127 -11.223 5.924 1.477 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.718 5.105 2.403 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.072 7.453 2.017 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.054 6.806 0.682 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.790 7.896 1.881 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.472 6.813 4.576 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.602 7.118 5.996 1.00 0.22 C ATOM 1995 C ALA A 128 -10.501 5.847 6.817 1.00 0.23 C ATOM 1996 O ALA A 128 -9.654 5.714 7.705 1.00 0.28 O ATOM 1997 CB ALA A 128 -11.948 7.757 6.267 1.00 0.23 C ATOM 0 H ALA A 128 -11.291 7.058 4.020 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.800 7.802 6.273 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.037 7.982 7.330 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.035 8.679 5.693 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.742 7.071 5.974 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.388 4.922 6.493 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.479 3.645 7.169 1.00 0.35 C ATOM 2005 C TRP A 129 -10.146 2.904 7.107 1.00 0.25 C ATOM 2006 O TRP A 129 -9.665 2.393 8.113 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.559 2.795 6.507 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.934 3.396 6.505 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.466 4.273 7.407 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.963 3.136 5.543 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.758 4.583 7.050 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -16.085 3.894 5.915 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -15.040 2.337 4.398 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -17.271 3.877 5.186 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -16.219 2.319 3.675 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -17.319 3.085 4.072 1.00 3.91 C ATOM 0 H TRP A 129 -12.071 5.040 5.745 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.732 3.823 8.214 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.264 2.600 5.476 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.602 1.831 7.014 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -13.950 4.664 8.271 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.373 5.224 7.551 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -14.194 1.744 4.084 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -18.123 4.468 5.489 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -16.291 1.704 2.790 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -18.226 3.051 3.487 1.00 3.91 H new ATOM 2027 N MET A 130 -9.553 2.870 5.917 1.00 0.24 N ATOM 2028 CA MET A 130 -8.299 2.160 5.684 1.00 0.26 C ATOM 2029 C MET A 130 -7.188 2.693 6.566 1.00 0.25 C ATOM 2030 O MET A 130 -6.541 1.937 7.292 1.00 0.29 O ATOM 2031 CB MET A 130 -7.880 2.295 4.227 1.00 0.31 C ATOM 2032 CG MET A 130 -8.753 1.523 3.263 1.00 0.29 C ATOM 2033 SD MET A 130 -8.274 1.808 1.556 1.00 1.08 S ATOM 2034 CE MET A 130 -6.590 1.214 1.598 1.00 0.31 C ATOM 0 H MET A 130 -9.927 3.333 5.089 1.00 0.24 H new ATOM 0 HA MET A 130 -8.468 1.111 5.928 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.896 3.349 3.951 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.850 1.953 4.122 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.688 0.458 3.486 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.794 1.814 3.402 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.188 1.187 0.585 1.00 0.31 H new ATOM 0 HE2 MET A 130 -5.984 1.881 2.211 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.569 0.211 2.024 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.970 3.998 6.502 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.930 4.622 7.295 1.00 0.24 C ATOM 2046 C ALA A 131 -6.210 4.432 8.775 1.00 0.24 C ATOM 2047 O ALA A 131 -5.290 4.272 9.570 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.804 6.092 6.953 1.00 0.25 C ATOM 0 H ALA A 131 -7.498 4.640 5.911 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.980 4.141 7.061 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.018 6.541 7.560 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.554 6.200 5.898 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.750 6.595 7.155 1.00 0.25 H new ATOM 2054 N THR A 132 -7.487 4.433 9.134 1.00 0.26 N ATOM 2055 CA THR A 132 -7.891 4.169 10.503 1.00 0.29 C ATOM 2056 C THR A 132 -7.559 2.731 10.905 1.00 0.30 C ATOM 2057 O THR A 132 -6.991 2.491 11.969 1.00 0.32 O ATOM 2058 CB THR A 132 -9.396 4.401 10.698 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.713 5.787 10.515 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.821 3.933 12.079 1.00 0.40 C ATOM 0 H THR A 132 -8.260 4.614 8.493 1.00 0.26 H new ATOM 0 HA THR A 132 -7.337 4.863 11.135 1.00 0.29 H new ATOM 0 HB THR A 132 -9.942 3.823 9.952 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.744 5.992 9.557 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.890 4.102 12.207 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.606 2.870 12.185 1.00 0.40 H new ATOM 0 HG23 THR A 132 -9.272 4.491 12.837 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.936 1.779 10.060 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.617 0.376 10.290 1.00 0.32 C ATOM 2070 C TYR A 133 -6.118 0.196 10.486 1.00 0.32 C ATOM 2071 O TYR A 133 -5.683 -0.542 11.370 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.101 -0.474 9.121 1.00 0.33 C ATOM 2073 CG TYR A 133 -9.480 -1.063 9.311 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -9.654 -2.254 10.003 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -10.606 -0.438 8.789 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -10.909 -2.805 10.169 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -11.864 -0.983 8.953 1.00 1.93 C ATOM 2078 CZ TYR A 133 -12.009 -2.166 9.642 1.00 2.40 C ATOM 2079 OH TYR A 133 -13.261 -2.712 9.804 1.00 3.13 O ATOM 0 H TYR A 133 -8.465 1.955 9.206 1.00 0.30 H new ATOM 0 HA TYR A 133 -8.127 0.049 11.196 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.100 0.136 8.218 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.391 -1.285 8.958 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -8.794 -2.758 10.418 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.495 0.489 8.246 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -11.027 -3.733 10.709 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -12.730 -0.484 8.543 1.00 1.93 H new ATOM 0 HH TYR A 133 -13.927 -2.136 9.373 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.333 0.882 9.660 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.890 0.902 9.835 1.00 0.30 C ATOM 2091 C LEU A 134 -3.561 1.522 11.194 1.00 0.32 C ATOM 2092 O LEU A 134 -2.827 0.941 11.981 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.214 1.685 8.690 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.702 1.450 8.515 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.212 2.020 7.190 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.919 2.067 9.663 1.00 0.88 C ATOM 0 H LEU A 134 -5.673 1.428 8.868 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.505 -0.117 9.805 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.713 1.427 7.756 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.380 2.749 8.856 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.534 0.373 8.516 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.141 1.841 7.091 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.739 1.535 6.368 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.405 3.092 7.162 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.146 1.887 9.515 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.105 3.141 9.694 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.236 1.616 10.603 1.00 0.88 H new ATOM 2108 N ASN A 135 -4.138 2.687 11.462 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.934 3.400 12.727 1.00 0.35 C ATOM 2110 C ASN A 135 -4.163 2.502 13.940 1.00 0.38 C ATOM 2111 O ASN A 135 -3.275 2.335 14.776 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.879 4.604 12.817 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.236 5.914 12.409 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.676 6.631 13.238 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.300 6.229 11.130 1.00 0.34 N ATOM 0 H ASN A 135 -4.761 3.168 10.813 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.896 3.732 12.738 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.747 4.422 12.183 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -5.245 4.692 13.840 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.876 7.094 10.796 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.774 5.607 10.475 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.345 1.907 14.023 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.742 1.176 15.219 1.00 0.42 C ATOM 2124 C ASP A 136 -5.102 -0.207 15.278 1.00 0.40 C ATOM 2125 O ASP A 136 -4.528 -0.599 16.295 1.00 0.43 O ATOM 2126 CB ASP A 136 -7.266 1.043 15.268 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.743 0.217 16.446 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.861 0.774 17.557 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.993 -0.993 16.269 1.00 0.58 O ATOM 0 H ASP A 136 -6.043 1.916 13.280 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.393 1.742 16.082 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.712 2.036 15.322 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.617 0.586 14.343 1.00 0.45 H new ATOM 2134 N HIS A 137 -5.187 -0.927 14.177 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.802 -2.331 14.145 1.00 0.38 C ATOM 2136 C HIS A 137 -3.334 -2.531 13.778 1.00 0.35 C ATOM 2137 O HIS A 137 -2.589 -3.215 14.479 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.670 -3.060 13.120 1.00 0.40 C ATOM 2139 CG HIS A 137 -7.029 -3.452 13.614 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.283 -4.640 14.262 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -8.221 -2.816 13.521 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.570 -4.720 14.541 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -9.162 -3.626 14.103 1.00 1.34 N ATOM 0 H HIS A 137 -5.521 -0.563 13.285 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.948 -2.733 15.148 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.787 -2.422 12.244 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -5.145 -3.957 12.792 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -8.398 -1.850 13.072 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.057 -5.543 15.043 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -10.157 -3.417 14.184 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.932 -1.913 12.681 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.683 -2.224 12.024 1.00 0.29 C ATOM 2154 C LEU A 138 -0.478 -1.477 12.572 1.00 0.27 C ATOM 2155 O LEU A 138 0.592 -2.059 12.707 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.863 -1.897 10.561 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.951 -3.096 9.644 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.527 -4.316 10.355 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.778 -2.753 8.421 1.00 1.20 C ATOM 0 H LEU A 138 -3.469 -1.178 12.222 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.465 -3.278 12.199 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.770 -1.303 10.446 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -1.030 -1.272 10.239 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.938 -3.353 9.333 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.573 -5.154 9.660 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.890 -4.579 11.200 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.530 -4.088 10.714 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.836 -3.622 7.766 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.782 -2.464 8.730 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.311 -1.926 7.886 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.649 -0.190 12.841 1.00 0.30 N ATOM 2172 CA GLU A 139 0.461 0.686 13.242 1.00 0.31 C ATOM 2173 C GLU A 139 1.391 0.033 14.279 1.00 0.30 C ATOM 2174 O GLU A 139 2.601 0.003 14.062 1.00 0.30 O ATOM 2175 CB GLU A 139 -0.041 2.035 13.765 1.00 0.38 C ATOM 2176 CG GLU A 139 1.077 3.053 13.941 1.00 0.40 C ATOM 2177 CD GLU A 139 0.637 4.306 14.666 1.00 0.49 C ATOM 2178 OE1 GLU A 139 -0.071 5.133 14.061 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.011 4.474 15.845 1.00 0.61 O ATOM 0 H GLU A 139 -1.552 0.281 12.790 1.00 0.30 H new ATOM 0 HA GLU A 139 1.044 0.856 12.337 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.784 2.434 13.074 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.543 1.885 14.721 1.00 0.38 H new ATOM 0 HG2 GLU A 139 1.896 2.591 14.492 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.467 3.327 12.961 1.00 0.40 H new ATOM 2186 N PRO A 140 0.862 -0.507 15.406 1.00 0.32 N ATOM 2187 CA PRO A 140 1.693 -1.207 16.396 1.00 0.34 C ATOM 2188 C PRO A 140 2.497 -2.339 15.763 1.00 0.32 C ATOM 2189 O PRO A 140 3.696 -2.476 16.001 1.00 0.34 O ATOM 2190 CB PRO A 140 0.679 -1.780 17.388 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.534 -0.936 17.241 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.560 -0.478 15.813 1.00 0.36 C ATOM 0 HA PRO A 140 2.423 -0.540 16.854 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.460 -2.825 17.167 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.062 -1.743 18.408 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.433 -1.502 17.484 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.500 -0.085 17.921 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.167 -1.137 15.193 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.982 0.523 15.722 1.00 0.36 H new ATOM 2200 N TRP A 141 1.821 -3.132 14.941 1.00 0.31 N ATOM 2201 CA TRP A 141 2.447 -4.248 14.240 1.00 0.32 C ATOM 2202 C TRP A 141 3.556 -3.753 13.313 1.00 0.31 C ATOM 2203 O TRP A 141 4.619 -4.358 13.232 1.00 0.36 O ATOM 2204 CB TRP A 141 1.393 -5.023 13.445 1.00 0.35 C ATOM 2205 CG TRP A 141 1.376 -6.481 13.755 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.159 -7.435 13.189 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.538 -7.154 14.702 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.845 -8.668 13.696 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.858 -8.523 14.639 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.456 -6.735 15.591 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.220 -9.474 15.431 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -1.086 -7.680 16.379 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.746 -9.035 16.294 1.00 1.20 C ATOM 0 H TRP A 141 0.827 -3.021 14.741 1.00 0.31 H new ATOM 0 HA TRP A 141 2.895 -4.914 14.978 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.409 -4.603 13.653 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.579 -4.887 12.380 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.920 -7.248 12.446 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.275 -9.550 13.418 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.727 -5.692 15.661 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.479 -10.521 15.366 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.853 -7.368 17.072 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -1.257 -9.749 16.923 1.00 1.20 H new ATOM 2224 N ILE A 142 3.302 -2.645 12.631 1.00 0.26 N ATOM 2225 CA ILE A 142 4.312 -1.996 11.797 1.00 0.26 C ATOM 2226 C ILE A 142 5.569 -1.706 12.605 1.00 0.29 C ATOM 2227 O ILE A 142 6.685 -1.999 12.173 1.00 0.32 O ATOM 2228 CB ILE A 142 3.761 -0.679 11.211 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.821 -0.984 10.059 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.881 0.247 10.761 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.524 -0.225 10.132 1.00 0.26 C ATOM 0 H ILE A 142 2.399 -2.171 12.637 1.00 0.26 H new ATOM 0 HA ILE A 142 4.563 -2.674 10.981 1.00 0.26 H new ATOM 0 HB ILE A 142 3.210 -0.161 11.996 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.320 -0.747 9.119 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.608 -2.053 10.046 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.454 1.164 10.354 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.517 0.490 11.613 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.476 -0.248 9.993 1.00 0.28 H new ATOM 0 HD11 ILE A 142 0.899 -0.490 9.279 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.004 -0.480 11.056 1.00 0.26 H new ATOM 0 HD13 ILE A 142 1.728 0.846 10.114 1.00 0.26 H new ATOM 2243 N GLN A 143 5.369 -1.132 13.779 1.00 0.30 N ATOM 2244 CA GLN A 143 6.463 -0.795 14.677 1.00 0.35 C ATOM 2245 C GLN A 143 7.276 -2.038 15.037 1.00 0.39 C ATOM 2246 O GLN A 143 8.496 -1.970 15.195 1.00 0.43 O ATOM 2247 CB GLN A 143 5.912 -0.144 15.939 1.00 0.41 C ATOM 2248 CG GLN A 143 4.941 0.988 15.650 1.00 0.43 C ATOM 2249 CD GLN A 143 5.584 2.159 14.938 1.00 0.48 C ATOM 2250 OE1 GLN A 143 6.772 2.439 15.105 1.00 0.57 O ATOM 2251 NE2 GLN A 143 4.799 2.849 14.131 1.00 0.52 N ATOM 0 H GLN A 143 4.446 -0.886 14.137 1.00 0.30 H new ATOM 0 HA GLN A 143 7.124 -0.093 14.169 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.410 -0.901 16.541 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.741 0.239 16.535 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.120 0.608 15.042 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.508 1.335 16.588 1.00 0.43 H new ATOM 0 HE21 GLN A 143 3.820 2.583 14.021 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.171 3.648 13.617 1.00 0.52 H new ATOM 2260 N GLU A 144 6.594 -3.179 15.140 1.00 0.40 N ATOM 2261 CA GLU A 144 7.239 -4.451 15.445 1.00 0.47 C ATOM 2262 C GLU A 144 8.179 -4.866 14.322 1.00 0.48 C ATOM 2263 O GLU A 144 9.121 -5.632 14.523 1.00 0.55 O ATOM 2264 CB GLU A 144 6.170 -5.523 15.624 1.00 0.51 C ATOM 2265 CG GLU A 144 5.115 -5.153 16.640 1.00 0.52 C ATOM 2266 CD GLU A 144 5.581 -5.339 18.067 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.437 -4.554 18.518 1.00 0.67 O ATOM 2268 OE2 GLU A 144 5.082 -6.259 18.748 1.00 0.78 O ATOM 0 H GLU A 144 5.584 -3.245 15.015 1.00 0.40 H new ATOM 0 HA GLU A 144 7.819 -4.337 16.360 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.689 -5.711 14.664 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.647 -6.454 15.929 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.823 -4.113 16.491 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.226 -5.761 16.471 1.00 0.52 H new ATOM 2275 N ASN A 145 7.912 -4.337 13.142 1.00 0.44 N ATOM 2276 CA ASN A 145 8.638 -4.714 11.942 1.00 0.48 C ATOM 2277 C ASN A 145 9.654 -3.637 11.611 1.00 0.47 C ATOM 2278 O ASN A 145 10.353 -3.697 10.598 1.00 0.57 O ATOM 2279 CB ASN A 145 7.676 -4.919 10.763 1.00 0.49 C ATOM 2280 CG ASN A 145 6.712 -6.085 10.956 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.242 -6.278 12.181 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.377 -6.791 10.005 1.00 0.54 N flip ATOM 0 H ASN A 145 7.188 -3.636 12.988 1.00 0.44 H new ATOM 0 HA ASN A 145 9.153 -5.657 12.122 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.102 -4.005 10.611 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.257 -5.085 9.856 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.760 -6.612 9.077 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.716 -7.555 10.145 1.00 0.54 H new ATOM 2289 N GLY A 146 9.711 -2.642 12.480 1.00 0.42 N ATOM 2290 CA GLY A 146 10.669 -1.577 12.338 1.00 0.45 C ATOM 2291 C GLY A 146 10.011 -0.238 12.090 1.00 0.44 C ATOM 2292 O GLY A 146 10.385 0.766 12.693 1.00 0.56 O ATOM 0 H GLY A 146 9.099 -2.556 13.292 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.278 -1.518 13.240 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.343 -1.806 11.512 1.00 0.45 H new ATOM 2296 N GLY A 147 9.021 -0.226 11.213 1.00 0.36 N ATOM 2297 CA GLY A 147 8.344 1.006 10.881 1.00 0.36 C ATOM 2298 C GLY A 147 8.063 1.114 9.398 1.00 0.38 C ATOM 2299 O GLY A 147 8.475 0.252 8.619 1.00 0.49 O ATOM 0 H GLY A 147 8.674 -1.051 10.724 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.406 1.065 11.433 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.954 1.852 11.197 1.00 0.36 H new ATOM 2303 N TRP A 148 7.366 2.173 9.008 1.00 0.35 N ATOM 2304 CA TRP A 148 7.011 2.385 7.612 1.00 0.37 C ATOM 2305 C TRP A 148 8.250 2.688 6.782 1.00 0.38 C ATOM 2306 O TRP A 148 8.419 2.156 5.687 1.00 0.40 O ATOM 2307 CB TRP A 148 6.016 3.535 7.475 1.00 0.39 C ATOM 2308 CG TRP A 148 4.676 3.264 8.079 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.779 2.313 7.690 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.067 3.974 9.161 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.653 2.384 8.471 1.00 0.52 N ATOM 2312 CE2 TRP A 148 2.807 3.395 9.382 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.469 5.040 9.966 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 1.944 3.849 10.375 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.613 5.489 10.951 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.363 4.894 11.149 1.00 3.32 C ATOM 0 H TRP A 148 7.035 2.900 9.641 1.00 0.35 H new ATOM 0 HA TRP A 148 6.549 1.469 7.244 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.439 4.424 7.943 1.00 0.39 H new ATOM 0 HB3 TRP A 148 5.885 3.763 6.417 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.932 1.608 6.886 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.834 1.782 8.387 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.433 5.506 9.821 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 0.978 3.392 10.528 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 3.914 6.314 11.580 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.716 5.268 11.929 1.00 3.32 H new ATOM 2327 N ASP A 149 9.115 3.543 7.314 1.00 0.42 N ATOM 2328 CA ASP A 149 10.343 3.916 6.620 1.00 0.47 C ATOM 2329 C ASP A 149 11.229 2.694 6.443 1.00 0.47 C ATOM 2330 O ASP A 149 11.839 2.502 5.391 1.00 0.52 O ATOM 2331 CB ASP A 149 11.091 5.001 7.394 1.00 0.56 C ATOM 2332 CG ASP A 149 12.363 5.450 6.699 1.00 1.23 C ATOM 2333 OD1 ASP A 149 12.287 6.323 5.808 1.00 1.72 O ATOM 2334 OD2 ASP A 149 13.445 4.921 7.026 1.00 1.96 O ATOM 0 H ASP A 149 8.990 3.991 8.222 1.00 0.42 H new ATOM 0 HA ASP A 149 10.081 4.312 5.639 1.00 0.47 H new ATOM 0 HB2 ASP A 149 10.435 5.861 7.531 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.338 4.627 8.388 1.00 0.56 H new ATOM 2339 N THR A 150 11.268 1.859 7.475 1.00 0.47 N ATOM 2340 CA THR A 150 12.025 0.617 7.435 1.00 0.51 C ATOM 2341 C THR A 150 11.590 -0.253 6.259 1.00 0.50 C ATOM 2342 O THR A 150 12.415 -0.902 5.624 1.00 0.56 O ATOM 2343 CB THR A 150 11.865 -0.182 8.743 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.334 0.590 9.857 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.630 -1.494 8.667 1.00 0.67 C ATOM 0 H THR A 150 10.780 2.023 8.355 1.00 0.47 H new ATOM 0 HA THR A 150 13.074 0.888 7.313 1.00 0.51 H new ATOM 0 HB THR A 150 10.806 -0.402 8.881 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.376 0.022 10.654 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.504 -2.043 9.600 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.246 -2.091 7.840 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.688 -1.289 8.506 1.00 0.67 H new ATOM 2353 N PHE A 151 10.298 -0.241 5.956 1.00 0.45 N ATOM 2354 CA PHE A 151 9.773 -1.035 4.857 1.00 0.47 C ATOM 2355 C PHE A 151 10.429 -0.623 3.549 1.00 0.48 C ATOM 2356 O PHE A 151 10.812 -1.466 2.745 1.00 0.55 O ATOM 2357 CB PHE A 151 8.252 -0.883 4.749 1.00 0.47 C ATOM 2358 CG PHE A 151 7.672 -1.535 3.524 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.377 -2.890 3.514 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.417 -0.792 2.387 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.838 -3.486 2.392 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.878 -1.383 1.261 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.615 -2.744 1.260 1.00 3.00 C ATOM 0 H PHE A 151 9.598 0.308 6.455 1.00 0.45 H new ATOM 0 HA PHE A 151 10.001 -2.082 5.057 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.787 -1.314 5.636 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.000 0.177 4.741 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.571 -3.485 4.394 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.642 0.264 2.379 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.592 -4.537 2.405 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.663 -0.788 0.386 1.00 2.61 H new ATOM 0 HZ PHE A 151 6.235 -3.220 0.368 1.00 3.00 H new ATOM 2373 N VAL A 152 10.572 0.677 3.351 1.00 0.45 N ATOM 2374 CA VAL A 152 11.186 1.198 2.139 1.00 0.49 C ATOM 2375 C VAL A 152 12.698 0.959 2.172 1.00 0.57 C ATOM 2376 O VAL A 152 13.361 0.906 1.138 1.00 0.64 O ATOM 2377 CB VAL A 152 10.856 2.696 1.898 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.666 3.131 2.739 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.056 3.591 2.147 1.00 0.91 C ATOM 0 H VAL A 152 10.271 1.392 4.014 1.00 0.45 H new ATOM 0 HA VAL A 152 10.760 0.654 1.296 1.00 0.49 H new ATOM 0 HB VAL A 152 10.590 2.803 0.846 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.454 4.184 2.553 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.794 2.533 2.473 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.895 2.988 3.795 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.779 4.630 1.966 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.386 3.478 3.180 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.866 3.309 1.474 1.00 0.91 H new ATOM 2389 N GLU A 153 13.247 0.835 3.370 1.00 0.59 N ATOM 2390 CA GLU A 153 14.644 0.467 3.522 1.00 0.69 C ATOM 2391 C GLU A 153 14.872 -0.947 2.983 1.00 0.70 C ATOM 2392 O GLU A 153 15.984 -1.307 2.597 1.00 0.80 O ATOM 2393 CB GLU A 153 15.065 0.570 4.989 1.00 0.76 C ATOM 2394 CG GLU A 153 14.972 1.989 5.519 1.00 0.80 C ATOM 2395 CD GLU A 153 16.017 2.909 4.922 1.00 1.31 C ATOM 2396 OE1 GLU A 153 15.815 3.385 3.785 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.043 3.162 5.584 1.00 1.58 O ATOM 0 H GLU A 153 12.748 0.983 4.247 1.00 0.59 H new ATOM 0 HA GLU A 153 15.260 1.158 2.947 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.434 -0.082 5.592 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.089 0.211 5.097 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.980 2.387 5.306 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.084 1.975 6.603 1.00 0.80 H new ATOM 2404 N LEU A 154 13.800 -1.739 2.950 1.00 0.67 N ATOM 2405 CA LEU A 154 13.856 -3.096 2.416 1.00 0.72 C ATOM 2406 C LEU A 154 13.346 -3.133 0.973 1.00 0.74 C ATOM 2407 O LEU A 154 14.025 -3.620 0.068 1.00 0.83 O ATOM 2408 CB LEU A 154 12.992 -4.049 3.255 1.00 0.72 C ATOM 2409 CG LEU A 154 12.859 -3.712 4.742 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.989 -4.739 5.444 1.00 1.30 C ATOM 2411 CD2 LEU A 154 14.221 -3.624 5.406 1.00 1.14 C ATOM 0 H LEU A 154 12.879 -1.460 3.289 1.00 0.67 H new ATOM 0 HA LEU A 154 14.898 -3.414 2.450 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.993 -4.078 2.820 1.00 0.72 H new ATOM 0 HB3 LEU A 154 13.407 -5.053 3.168 1.00 0.72 H new ATOM 0 HG LEU A 154 12.381 -2.736 4.825 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.905 -4.484 6.500 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.997 -4.745 4.992 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.439 -5.727 5.344 1.00 1.30 H new ATOM 0 HD21 LEU A 154 14.096 -3.383 6.462 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.735 -4.580 5.310 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.811 -2.845 4.924 1.00 1.14 H new ATOM 2423 N TYR A 155 12.142 -2.607 0.774 1.00 0.69 N ATOM 2424 CA TYR A 155 11.421 -2.742 -0.488 1.00 0.78 C ATOM 2425 C TYR A 155 11.111 -1.386 -1.098 1.00 0.77 C ATOM 2426 O TYR A 155 10.142 -1.240 -1.845 1.00 1.15 O ATOM 2427 CB TYR A 155 10.106 -3.479 -0.260 1.00 0.86 C ATOM 2428 CG TYR A 155 10.261 -4.918 0.173 1.00 1.40 C ATOM 2429 CD1 TYR A 155 10.616 -5.901 -0.741 1.00 1.83 C ATOM 2430 CD2 TYR A 155 10.066 -5.291 1.497 1.00 2.24 C ATOM 2431 CE1 TYR A 155 10.768 -7.217 -0.350 1.00 2.65 C ATOM 2432 CE2 TYR A 155 10.220 -6.604 1.896 1.00 3.16 C ATOM 2433 CZ TYR A 155 10.524 -7.567 0.971 1.00 3.24 C ATOM 2434 OH TYR A 155 10.724 -8.871 1.365 1.00 4.24 O ATOM 0 H TYR A 155 11.638 -2.075 1.483 1.00 0.69 H new ATOM 0 HA TYR A 155 12.060 -3.302 -1.171 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.531 -2.945 0.497 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.524 -3.451 -1.181 1.00 0.86 H new ATOM 0 HD1 TYR A 155 10.776 -5.632 -1.775 1.00 1.83 H new ATOM 0 HD2 TYR A 155 9.790 -4.543 2.225 1.00 2.24 H new ATOM 0 HE1 TYR A 155 11.074 -7.966 -1.065 1.00 2.65 H new ATOM 0 HE2 TYR A 155 10.101 -6.871 2.936 1.00 3.16 H new ATOM 0 HH TYR A 155 10.512 -8.961 2.318 1.00 4.24 H new ATOM 2444 N GLY A 156 11.928 -0.404 -0.774 1.00 0.66 N ATOM 2445 CA GLY A 156 11.707 0.946 -1.249 1.00 0.64 C ATOM 2446 C GLY A 156 11.661 1.058 -2.750 1.00 0.78 C ATOM 2447 O GLY A 156 12.148 0.189 -3.475 1.00 1.10 O ATOM 0 H GLY A 156 12.752 -0.516 -0.183 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.769 1.318 -0.837 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.500 1.590 -0.869 1.00 0.64 H new ATOM 2451 N ASN A 157 11.069 2.149 -3.180 1.00 0.70 N ATOM 2452 CA ASN A 157 10.846 2.455 -4.580 1.00 0.80 C ATOM 2453 C ASN A 157 12.089 2.216 -5.430 1.00 1.14 C ATOM 2454 O ASN A 157 13.147 2.792 -5.177 1.00 1.29 O ATOM 2455 CB ASN A 157 10.418 3.906 -4.657 1.00 0.70 C ATOM 2456 CG ASN A 157 10.142 4.371 -6.064 1.00 0.77 C ATOM 2457 OD1 ASN A 157 11.014 4.925 -6.730 1.00 0.88 O ATOM 2458 ND2 ASN A 157 8.929 4.137 -6.532 1.00 0.76 N ATOM 0 H ASN A 157 10.718 2.870 -2.550 1.00 0.70 H new ATOM 0 HA ASN A 157 10.077 1.794 -4.980 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.522 4.046 -4.053 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.197 4.531 -4.221 1.00 0.70 H new ATOM 0 HD21 ASN A 157 8.685 4.419 -7.481 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.236 3.674 -5.944 1.00 0.76 H new ATOM 2465 N ASN A 158 11.944 1.380 -6.453 1.00 1.40 N ATOM 2466 CA ASN A 158 13.086 0.968 -7.260 1.00 1.79 C ATOM 2467 C ASN A 158 13.601 2.082 -8.149 1.00 1.93 C ATOM 2468 O ASN A 158 14.779 2.092 -8.483 1.00 2.18 O ATOM 2469 CB ASN A 158 12.767 -0.263 -8.103 1.00 2.11 C ATOM 2470 CG ASN A 158 13.051 -1.551 -7.356 1.00 2.55 C ATOM 2471 OD1 ASN A 158 12.178 -2.115 -6.694 1.00 2.99 O ATOM 2472 ND2 ASN A 158 14.288 -2.016 -7.450 1.00 2.94 N ATOM 0 H ASN A 158 11.053 0.977 -6.741 1.00 1.40 H new ATOM 0 HA ASN A 158 13.875 0.713 -6.552 1.00 1.79 H new ATOM 0 HB2 ASN A 158 11.718 -0.239 -8.398 1.00 2.11 H new ATOM 0 HB3 ASN A 158 13.357 -0.238 -9.019 1.00 2.11 H new ATOM 0 HD21 ASN A 158 14.549 -2.873 -6.963 1.00 2.94 H new ATOM 0 HD22 ASN A 158 14.979 -1.517 -8.009 1.00 2.94 H new ATOM 2479 N ALA A 159 12.738 3.016 -8.536 1.00 1.86 N ATOM 2480 CA ALA A 159 13.182 4.170 -9.313 1.00 2.10 C ATOM 2481 C ALA A 159 14.192 4.976 -8.510 1.00 2.25 C ATOM 2482 O ALA A 159 15.200 5.444 -9.040 1.00 2.52 O ATOM 2483 CB ALA A 159 12.005 5.042 -9.719 1.00 2.14 C ATOM 0 H ALA A 159 11.740 2.999 -8.328 1.00 1.86 H new ATOM 0 HA ALA A 159 13.659 3.810 -10.225 1.00 2.10 H new ATOM 0 HB1 ALA A 159 12.365 5.894 -10.296 1.00 2.14 H new ATOM 0 HB2 ALA A 159 11.313 4.459 -10.326 1.00 2.14 H new ATOM 0 HB3 ALA A 159 11.492 5.400 -8.826 1.00 2.14 H new ATOM 2489 N ALA A 160 13.921 5.116 -7.220 1.00 2.17 N ATOM 2490 CA ALA A 160 14.851 5.767 -6.315 1.00 2.44 C ATOM 2491 C ALA A 160 16.032 4.846 -6.030 1.00 2.55 C ATOM 2492 O ALA A 160 17.170 5.298 -5.915 1.00 2.87 O ATOM 2493 CB ALA A 160 14.151 6.158 -5.022 1.00 2.45 C ATOM 0 H ALA A 160 13.063 4.786 -6.778 1.00 2.17 H new ATOM 0 HA ALA A 160 15.224 6.676 -6.787 1.00 2.44 H new ATOM 0 HB1 ALA A 160 14.863 6.645 -4.356 1.00 2.45 H new ATOM 0 HB2 ALA A 160 13.334 6.845 -5.244 1.00 2.45 H new ATOM 0 HB3 ALA A 160 13.754 5.265 -4.539 1.00 2.45 H new ATOM 2499 N ALA A 161 15.749 3.551 -5.932 1.00 2.37 N ATOM 2500 CA ALA A 161 16.777 2.544 -5.678 1.00 2.60 C ATOM 2501 C ALA A 161 17.860 2.571 -6.753 1.00 2.85 C ATOM 2502 O ALA A 161 19.021 2.834 -6.455 1.00 3.20 O ATOM 2503 CB ALA A 161 16.151 1.162 -5.589 1.00 2.50 C ATOM 0 H ALA A 161 14.807 3.170 -6.025 1.00 2.37 H new ATOM 0 HA ALA A 161 17.249 2.780 -4.724 1.00 2.60 H new ATOM 0 HB1 ALA A 161 16.928 0.422 -5.400 1.00 2.50 H new ATOM 0 HB2 ALA A 161 15.426 1.143 -4.776 1.00 2.50 H new ATOM 0 HB3 ALA A 161 15.649 0.929 -6.528 1.00 2.50 H new ATOM 2509 N GLU A 162 17.475 2.305 -8.001 1.00 2.76 N ATOM 2510 CA GLU A 162 18.410 2.365 -9.127 1.00 3.08 C ATOM 2511 C GLU A 162 19.092 3.723 -9.219 1.00 3.31 C ATOM 2512 O GLU A 162 20.243 3.815 -9.640 1.00 3.67 O ATOM 2513 CB GLU A 162 17.715 2.061 -10.458 1.00 3.06 C ATOM 2514 CG GLU A 162 16.470 2.893 -10.726 1.00 3.25 C ATOM 2515 CD GLU A 162 15.925 2.687 -12.122 1.00 3.48 C ATOM 2516 OE1 GLU A 162 16.408 3.358 -13.061 1.00 3.71 O ATOM 2517 OE2 GLU A 162 15.019 1.849 -12.295 1.00 3.72 O ATOM 0 H GLU A 162 16.523 2.046 -8.259 1.00 2.76 H new ATOM 0 HA GLU A 162 19.164 1.601 -8.939 1.00 3.08 H new ATOM 0 HB2 GLU A 162 18.425 2.222 -11.269 1.00 3.06 H new ATOM 0 HB3 GLU A 162 17.442 1.006 -10.478 1.00 3.06 H new ATOM 0 HG2 GLU A 162 15.701 2.635 -9.998 1.00 3.25 H new ATOM 0 HG3 GLU A 162 16.704 3.948 -10.583 1.00 3.25 H new ATOM 2524 N SER A 163 18.388 4.771 -8.822 1.00 3.19 N ATOM 2525 CA SER A 163 18.953 6.107 -8.842 1.00 3.52 C ATOM 2526 C SER A 163 20.088 6.218 -7.823 1.00 3.81 C ATOM 2527 O SER A 163 21.167 6.731 -8.127 1.00 4.18 O ATOM 2528 CB SER A 163 17.866 7.149 -8.551 1.00 3.44 C ATOM 2529 OG SER A 163 18.401 8.460 -8.515 1.00 3.87 O ATOM 0 H SER A 163 17.427 4.721 -8.483 1.00 3.19 H new ATOM 0 HA SER A 163 19.359 6.300 -9.835 1.00 3.52 H new ATOM 0 HB2 SER A 163 17.091 7.092 -9.316 1.00 3.44 H new ATOM 0 HB3 SER A 163 17.390 6.923 -7.597 1.00 3.44 H new ATOM 0 HG SER A 163 17.684 9.101 -8.329 1.00 3.87 H new ATOM 2535 N ARG A 164 19.845 5.706 -6.621 1.00 3.70 N ATOM 2536 CA ARG A 164 20.847 5.720 -5.559 1.00 4.07 C ATOM 2537 C ARG A 164 21.910 4.668 -5.823 1.00 4.24 C ATOM 2538 O ARG A 164 22.988 4.683 -5.228 1.00 4.61 O ATOM 2539 CB ARG A 164 20.192 5.492 -4.192 1.00 4.05 C ATOM 2540 CG ARG A 164 19.643 6.760 -3.548 1.00 4.12 C ATOM 2541 CD ARG A 164 18.709 7.520 -4.476 1.00 4.41 C ATOM 2542 NE ARG A 164 18.175 8.728 -3.857 1.00 4.73 N ATOM 2543 CZ ARG A 164 17.343 9.568 -4.467 1.00 5.32 C ATOM 2544 NH1 ARG A 164 17.013 9.373 -5.740 1.00 5.65 N ATOM 2545 NH2 ARG A 164 16.853 10.612 -3.812 1.00 5.82 N ATOM 0 H ARG A 164 18.959 5.274 -6.356 1.00 3.70 H new ATOM 0 HA ARG A 164 21.323 6.700 -5.548 1.00 4.07 H new ATOM 0 HB2 ARG A 164 19.380 4.773 -4.305 1.00 4.05 H new ATOM 0 HB3 ARG A 164 20.924 5.043 -3.520 1.00 4.05 H new ATOM 0 HG2 ARG A 164 19.110 6.499 -2.634 1.00 4.12 H new ATOM 0 HG3 ARG A 164 20.472 7.407 -3.260 1.00 4.12 H new ATOM 0 HD2 ARG A 164 19.244 7.788 -5.387 1.00 4.41 H new ATOM 0 HD3 ARG A 164 17.885 6.870 -4.770 1.00 4.41 H new ATOM 0 HE ARG A 164 18.456 8.941 -2.900 1.00 4.73 H new ATOM 0 HH11 ARG A 164 17.398 8.578 -6.251 1.00 5.65 H new ATOM 0 HH12 ARG A 164 16.375 10.018 -6.206 1.00 5.65 H new ATOM 0 HH21 ARG A 164 17.114 10.772 -2.839 1.00 5.82 H new ATOM 0 HH22 ARG A 164 16.215 11.255 -4.281 1.00 5.82 H new ATOM 2559 N LYS A 165 21.586 3.767 -6.726 1.00 4.03 N ATOM 2560 CA LYS A 165 22.514 2.754 -7.187 1.00 4.26 C ATOM 2561 C LYS A 165 23.485 3.353 -8.193 1.00 4.49 C ATOM 2562 O LYS A 165 24.703 3.270 -8.036 1.00 4.77 O ATOM 2563 CB LYS A 165 21.751 1.612 -7.855 1.00 4.10 C ATOM 2564 CG LYS A 165 22.649 0.513 -8.359 1.00 4.47 C ATOM 2565 CD LYS A 165 21.955 -0.351 -9.394 1.00 4.47 C ATOM 2566 CE LYS A 165 21.630 0.441 -10.653 1.00 4.43 C ATOM 2567 NZ LYS A 165 21.033 -0.416 -11.709 1.00 4.72 N ATOM 0 H LYS A 165 20.666 3.716 -7.164 1.00 4.03 H new ATOM 0 HA LYS A 165 23.066 2.374 -6.328 1.00 4.26 H new ATOM 0 HB2 LYS A 165 21.040 1.193 -7.143 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.171 2.009 -8.688 1.00 4.10 H new ATOM 0 HG2 LYS A 165 23.548 0.949 -8.794 1.00 4.47 H new ATOM 0 HG3 LYS A 165 22.968 -0.108 -7.522 1.00 4.47 H new ATOM 0 HD2 LYS A 165 22.592 -1.198 -9.650 1.00 4.47 H new ATOM 0 HD3 LYS A 165 21.037 -0.759 -8.972 1.00 4.47 H new ATOM 0 HE2 LYS A 165 20.939 1.247 -10.406 1.00 4.43 H new ATOM 0 HE3 LYS A 165 22.539 0.906 -11.034 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 20.827 0.161 -12.549 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 21.702 -1.170 -11.963 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 20.152 -0.840 -11.355 1.00 4.72 H new ATOM 2581 N GLY A 166 22.923 3.971 -9.224 1.00 4.45 N ATOM 2582 CA GLY A 166 23.714 4.462 -10.331 1.00 4.72 C ATOM 2583 C GLY A 166 24.653 5.588 -9.950 1.00 4.91 C ATOM 2584 O GLY A 166 25.694 5.769 -10.574 1.00 5.10 O ATOM 0 H GLY A 166 21.921 4.141 -9.311 1.00 4.45 H new ATOM 0 HA2 GLY A 166 24.296 3.639 -10.745 1.00 4.72 H new ATOM 0 HA3 GLY A 166 23.046 4.808 -11.120 1.00 4.72 H new ATOM 2588 N GLN A 167 24.301 6.342 -8.919 1.00 4.92 N ATOM 2589 CA GLN A 167 25.149 7.442 -8.471 1.00 5.16 C ATOM 2590 C GLN A 167 26.456 6.921 -7.888 1.00 5.19 C ATOM 2591 O GLN A 167 27.427 7.670 -7.751 1.00 5.45 O ATOM 2592 CB GLN A 167 24.425 8.309 -7.445 1.00 5.30 C ATOM 2593 CG GLN A 167 23.920 7.539 -6.240 1.00 5.16 C ATOM 2594 CD GLN A 167 23.252 8.435 -5.219 1.00 5.42 C ATOM 2595 OE1 GLN A 167 22.050 8.684 -5.287 1.00 5.60 O ATOM 2596 NE2 GLN A 167 24.022 8.916 -4.261 1.00 5.72 N ATOM 0 H GLN A 167 23.444 6.216 -8.380 1.00 4.92 H new ATOM 0 HA GLN A 167 25.379 8.056 -9.342 1.00 5.16 H new ATOM 0 HB2 GLN A 167 25.100 9.094 -7.106 1.00 5.30 H new ATOM 0 HB3 GLN A 167 23.582 8.801 -7.929 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.212 6.778 -6.569 1.00 5.16 H new ATOM 0 HG3 GLN A 167 24.754 7.017 -5.771 1.00 5.16 H new ATOM 0 HE21 GLN A 167 25.015 8.685 -4.241 1.00 5.72 H new ATOM 0 HE22 GLN A 167 23.624 9.519 -3.541 1.00 5.72 H new ATOM 2605 N GLU A 168 26.483 5.635 -7.561 1.00 5.02 N ATOM 2606 CA GLU A 168 27.691 5.000 -7.059 1.00 5.17 C ATOM 2607 C GLU A 168 28.602 4.608 -8.216 1.00 5.30 C ATOM 2608 O GLU A 168 29.694 4.079 -8.012 1.00 5.55 O ATOM 2609 CB GLU A 168 27.352 3.772 -6.216 1.00 5.10 C ATOM 2610 CG GLU A 168 26.436 4.071 -5.042 1.00 5.39 C ATOM 2611 CD GLU A 168 26.358 2.919 -4.066 1.00 5.63 C ATOM 2612 OE1 GLU A 168 27.250 2.818 -3.195 1.00 5.88 O ATOM 2613 OE2 GLU A 168 25.425 2.101 -4.167 1.00 5.81 O ATOM 0 H GLU A 168 25.679 5.012 -7.635 1.00 5.02 H new ATOM 0 HA GLU A 168 28.213 5.717 -6.425 1.00 5.17 H new ATOM 0 HB2 GLU A 168 26.879 3.024 -6.853 1.00 5.10 H new ATOM 0 HB3 GLU A 168 28.277 3.333 -5.841 1.00 5.10 H new ATOM 0 HG2 GLU A 168 26.793 4.960 -4.523 1.00 5.39 H new ATOM 0 HG3 GLU A 168 25.437 4.298 -5.413 1.00 5.39 H new ATOM 2620 N ARG A 169 28.141 4.864 -9.433 1.00 5.23 N ATOM 2621 CA ARG A 169 28.966 4.663 -10.614 1.00 5.45 C ATOM 2622 C ARG A 169 29.819 5.907 -10.810 1.00 5.78 C ATOM 2623 O ARG A 169 30.962 5.837 -11.258 1.00 6.09 O ATOM 2624 CB ARG A 169 28.085 4.384 -11.839 1.00 5.37 C ATOM 2625 CG ARG A 169 28.837 3.841 -13.048 1.00 5.66 C ATOM 2626 CD ARG A 169 29.548 4.938 -13.821 1.00 6.08 C ATOM 2627 NE ARG A 169 28.611 5.847 -14.475 1.00 6.39 N ATOM 2628 CZ ARG A 169 28.977 6.938 -15.145 1.00 6.90 C ATOM 2629 NH1 ARG A 169 30.254 7.303 -15.183 1.00 7.13 N ATOM 2630 NH2 ARG A 169 28.063 7.673 -15.763 1.00 7.34 N ATOM 0 H ARG A 169 27.202 5.211 -9.627 1.00 5.23 H new ATOM 0 HA ARG A 169 29.615 3.797 -10.485 1.00 5.45 H new ATOM 0 HB2 ARG A 169 27.310 3.671 -11.559 1.00 5.37 H new ATOM 0 HB3 ARG A 169 27.580 5.307 -12.125 1.00 5.37 H new ATOM 0 HG2 ARG A 169 29.566 3.100 -12.718 1.00 5.66 H new ATOM 0 HG3 ARG A 169 28.138 3.328 -13.708 1.00 5.66 H new ATOM 0 HD2 ARG A 169 30.186 5.503 -13.142 1.00 6.08 H new ATOM 0 HD3 ARG A 169 30.199 4.489 -14.571 1.00 6.08 H new ATOM 0 HE ARG A 169 27.615 5.633 -14.415 1.00 6.39 H new ATOM 0 HH11 ARG A 169 30.958 6.747 -14.698 1.00 7.13 H new ATOM 0 HH12 ARG A 169 30.530 8.139 -15.697 1.00 7.13 H new ATOM 0 HH21 ARG A 169 27.080 7.403 -15.725 1.00 7.34 H new ATOM 0 HH22 ARG A 169 28.343 8.509 -16.276 1.00 7.34 H new ATOM 2644 N LEU A 170 29.247 7.045 -10.443 1.00 5.79 N ATOM 2645 CA LEU A 170 29.969 8.304 -10.468 1.00 6.19 C ATOM 2646 C LEU A 170 30.883 8.375 -9.257 1.00 6.32 C ATOM 2647 O LEU A 170 32.071 8.678 -9.380 1.00 6.79 O ATOM 2648 CB LEU A 170 29.007 9.491 -10.476 1.00 6.33 C ATOM 2649 CG LEU A 170 28.316 9.793 -11.815 1.00 6.61 C ATOM 2650 CD1 LEU A 170 29.346 10.015 -12.912 1.00 6.97 C ATOM 2651 CD2 LEU A 170 27.351 8.681 -12.200 1.00 6.43 C ATOM 0 H LEU A 170 28.281 7.120 -10.124 1.00 5.79 H new ATOM 0 HA LEU A 170 30.562 8.353 -11.381 1.00 6.19 H new ATOM 0 HB2 LEU A 170 28.237 9.314 -9.725 1.00 6.33 H new ATOM 0 HB3 LEU A 170 29.556 10.380 -10.165 1.00 6.33 H new ATOM 0 HG LEU A 170 27.738 10.709 -11.694 1.00 6.61 H new ATOM 0 HD11 LEU A 170 28.836 10.227 -13.852 1.00 6.97 H new ATOM 0 HD12 LEU A 170 29.984 10.858 -12.647 1.00 6.97 H new ATOM 0 HD13 LEU A 170 29.956 9.119 -13.025 1.00 6.97 H new ATOM 0 HD21 LEU A 170 26.878 8.923 -13.151 1.00 6.43 H new ATOM 0 HD22 LEU A 170 27.897 7.742 -12.295 1.00 6.43 H new ATOM 0 HD23 LEU A 170 26.586 8.580 -11.430 1.00 6.43 H new ATOM 2663 N GLU A 171 30.305 8.069 -8.095 1.00 6.03 N ATOM 2664 CA GLU A 171 31.038 7.984 -6.835 1.00 6.27 C ATOM 2665 C GLU A 171 31.746 9.299 -6.511 1.00 6.70 C ATOM 2666 O GLU A 171 32.884 9.535 -6.921 1.00 6.90 O ATOM 2667 CB GLU A 171 32.034 6.818 -6.870 1.00 6.34 C ATOM 2668 CG GLU A 171 32.722 6.556 -5.540 1.00 6.31 C ATOM 2669 CD GLU A 171 33.646 5.358 -5.588 1.00 6.67 C ATOM 2670 OE1 GLU A 171 34.775 5.487 -6.109 1.00 6.97 O ATOM 2671 OE2 GLU A 171 33.252 4.281 -5.102 1.00 6.91 O ATOM 0 H GLU A 171 29.308 7.872 -8.003 1.00 6.03 H new ATOM 0 HA GLU A 171 30.317 7.797 -6.039 1.00 6.27 H new ATOM 0 HB2 GLU A 171 31.510 5.914 -7.181 1.00 6.34 H new ATOM 0 HB3 GLU A 171 32.792 7.023 -7.626 1.00 6.34 H new ATOM 0 HG2 GLU A 171 33.292 7.439 -5.250 1.00 6.31 H new ATOM 0 HG3 GLU A 171 31.967 6.397 -4.770 1.00 6.31 H new ATOM 2678 N HIS A 172 31.058 10.159 -5.774 1.00 7.18 N ATOM 2679 CA HIS A 172 31.628 11.437 -5.366 1.00 7.91 C ATOM 2680 C HIS A 172 32.513 11.250 -4.146 1.00 8.34 C ATOM 2681 O HIS A 172 33.260 12.147 -3.756 1.00 8.55 O ATOM 2682 CB HIS A 172 30.526 12.463 -5.087 1.00 8.43 C ATOM 2683 CG HIS A 172 29.952 13.069 -6.333 1.00 8.65 C ATOM 2684 ND1 HIS A 172 28.835 12.580 -6.973 1.00 8.91 N ATOM 2685 CD2 HIS A 172 30.360 14.133 -7.062 1.00 8.94 C ATOM 2686 CE1 HIS A 172 28.585 13.314 -8.041 1.00 9.32 C ATOM 2687 NE2 HIS A 172 29.496 14.265 -8.120 1.00 9.35 N ATOM 0 H HIS A 172 30.106 9.996 -5.446 1.00 7.18 H new ATOM 0 HA HIS A 172 32.240 11.819 -6.183 1.00 7.91 H new ATOM 0 HB2 HIS A 172 29.726 11.983 -4.523 1.00 8.43 H new ATOM 0 HB3 HIS A 172 30.929 13.256 -4.457 1.00 8.43 H new ATOM 0 HD2 HIS A 172 31.211 14.764 -6.850 1.00 8.94 H new ATOM 0 HE1 HIS A 172 27.771 13.162 -8.734 1.00 9.32 H new ATOM 0 HE2 HIS A 172 29.549 14.979 -8.846 1.00 9.35 H new ATOM 2696 N HIS A 173 32.421 10.069 -3.552 1.00 8.71 N ATOM 2697 CA HIS A 173 33.287 9.682 -2.449 1.00 9.35 C ATOM 2698 C HIS A 173 33.186 8.175 -2.265 1.00 9.73 C ATOM 2699 O HIS A 173 32.098 7.612 -2.400 1.00 10.12 O ATOM 2700 CB HIS A 173 32.896 10.414 -1.159 1.00 9.85 C ATOM 2701 CG HIS A 173 34.076 10.842 -0.338 1.00 10.34 C ATOM 2702 ND1 HIS A 173 34.255 10.483 0.980 1.00 10.84 N ATOM 2703 CD2 HIS A 173 35.137 11.620 -0.657 1.00 10.66 C ATOM 2704 CE1 HIS A 173 35.372 11.018 1.433 1.00 11.40 C ATOM 2705 NE2 HIS A 173 35.927 11.712 0.461 1.00 11.31 N ATOM 0 H HIS A 173 31.745 9.354 -3.821 1.00 8.71 H new ATOM 0 HA HIS A 173 34.316 9.960 -2.678 1.00 9.35 H new ATOM 0 HB2 HIS A 173 32.302 11.292 -1.413 1.00 9.85 H new ATOM 0 HB3 HIS A 173 32.261 9.763 -0.558 1.00 9.85 H new ATOM 0 HD2 HIS A 173 35.326 12.083 -1.614 1.00 10.66 H new ATOM 0 HE1 HIS A 173 35.765 10.906 2.433 1.00 11.40 H new ATOM 0 HE2 HIS A 173 36.801 12.233 0.528 1.00 11.31 H new ATOM 2714 N HIS A 174 34.313 7.530 -1.984 1.00 9.86 N ATOM 2715 CA HIS A 174 34.367 6.071 -1.893 1.00 10.40 C ATOM 2716 C HIS A 174 33.399 5.534 -0.843 1.00 11.06 C ATOM 2717 O HIS A 174 32.565 4.676 -1.138 1.00 11.27 O ATOM 2718 CB HIS A 174 35.790 5.598 -1.573 1.00 10.58 C ATOM 2719 CG HIS A 174 36.749 5.723 -2.719 1.00 10.83 C ATOM 2720 ND1 HIS A 174 37.813 6.601 -2.726 1.00 11.12 N ATOM 2721 CD2 HIS A 174 36.810 5.058 -3.896 1.00 11.10 C ATOM 2722 CE1 HIS A 174 38.481 6.470 -3.857 1.00 11.52 C ATOM 2723 NE2 HIS A 174 37.893 5.542 -4.581 1.00 11.52 N ATOM 0 H HIS A 174 35.205 7.994 -1.814 1.00 9.86 H new ATOM 0 HA HIS A 174 34.068 5.679 -2.865 1.00 10.40 H new ATOM 0 HB2 HIS A 174 36.172 6.173 -0.730 1.00 10.58 H new ATOM 0 HB3 HIS A 174 35.752 4.556 -1.257 1.00 10.58 H new ATOM 0 HD2 HIS A 174 36.131 4.289 -4.233 1.00 11.10 H new ATOM 0 HE1 HIS A 174 39.360 7.029 -4.140 1.00 11.52 H new ATOM 0 HE2 HIS A 174 38.195 5.232 -5.505 1.00 11.52 H new ATOM 2732 N HIS A 175 33.505 6.043 0.373 1.00 11.59 N ATOM 2733 CA HIS A 175 32.673 5.565 1.468 1.00 12.41 C ATOM 2734 C HIS A 175 31.387 6.369 1.576 1.00 12.84 C ATOM 2735 O HIS A 175 31.223 7.393 0.903 1.00 13.21 O ATOM 2736 CB HIS A 175 33.435 5.623 2.793 1.00 12.99 C ATOM 2737 CG HIS A 175 34.581 4.665 2.867 1.00 13.51 C ATOM 2738 ND1 HIS A 175 35.874 5.060 3.118 1.00 13.89 N ATOM 2739 CD2 HIS A 175 34.620 3.320 2.733 1.00 13.89 C ATOM 2740 CE1 HIS A 175 36.658 4.000 3.133 1.00 14.46 C ATOM 2741 NE2 HIS A 175 35.924 2.930 2.903 1.00 14.48 N ATOM 0 H HIS A 175 34.157 6.785 0.628 1.00 11.59 H new ATOM 0 HA HIS A 175 32.414 4.528 1.253 1.00 12.41 H new ATOM 0 HB2 HIS A 175 33.809 6.636 2.944 1.00 12.99 H new ATOM 0 HB3 HIS A 175 32.744 5.414 3.609 1.00 12.99 H new ATOM 0 HD2 HIS A 175 33.780 2.673 2.530 1.00 13.89 H new ATOM 0 HE1 HIS A 175 37.724 4.007 3.305 1.00 14.46 H new ATOM 0 HE2 HIS A 175 36.268 1.971 2.859 1.00 14.48 H new ATOM 2750 N HIS A 176 30.478 5.891 2.421 1.00 12.98 N ATOM 2751 CA HIS A 176 29.206 6.562 2.656 1.00 13.55 C ATOM 2752 C HIS A 176 29.424 8.014 3.065 1.00 13.90 C ATOM 2753 O HIS A 176 30.384 8.337 3.766 1.00 14.09 O ATOM 2754 CB HIS A 176 28.375 5.824 3.720 1.00 13.99 C ATOM 2755 CG HIS A 176 29.008 5.755 5.082 1.00 14.45 C ATOM 2756 ND1 HIS A 176 29.522 4.594 5.613 1.00 14.88 N ATOM 2757 CD2 HIS A 176 29.186 6.708 6.031 1.00 14.71 C ATOM 2758 CE1 HIS A 176 29.988 4.834 6.826 1.00 15.37 C ATOM 2759 NE2 HIS A 176 29.795 6.108 7.101 1.00 15.28 N ATOM 0 H HIS A 176 30.602 5.033 2.958 1.00 12.98 H new ATOM 0 HA HIS A 176 28.648 6.547 1.720 1.00 13.55 H new ATOM 0 HB2 HIS A 176 27.407 6.317 3.810 1.00 13.99 H new ATOM 0 HB3 HIS A 176 28.185 4.809 3.372 1.00 13.99 H new ATOM 0 HD2 HIS A 176 28.900 7.747 5.957 1.00 14.71 H new ATOM 0 HE1 HIS A 176 30.449 4.109 7.481 1.00 15.37 H new ATOM 0 HE2 HIS A 176 30.057 6.573 7.971 1.00 15.28 H new ATOM 2768 N HIS A 177 28.540 8.877 2.612 1.00 14.14 N ATOM 2769 CA HIS A 177 28.645 10.302 2.873 1.00 14.65 C ATOM 2770 C HIS A 177 27.260 10.909 3.052 1.00 15.60 C ATOM 2771 O HIS A 177 26.260 10.189 3.036 1.00 16.02 O ATOM 2772 CB HIS A 177 29.426 11.000 1.748 1.00 14.60 C ATOM 2773 CG HIS A 177 29.092 10.510 0.370 1.00 14.47 C ATOM 2774 ND1 HIS A 177 29.645 9.369 -0.175 1.00 14.51 N ATOM 2775 CD2 HIS A 177 28.264 11.008 -0.573 1.00 14.51 C ATOM 2776 CE1 HIS A 177 29.170 9.192 -1.391 1.00 14.56 C ATOM 2777 NE2 HIS A 177 28.331 10.171 -1.654 1.00 14.56 N ATOM 0 H HIS A 177 27.728 8.614 2.053 1.00 14.14 H new ATOM 0 HA HIS A 177 29.198 10.452 3.800 1.00 14.65 H new ATOM 0 HB2 HIS A 177 29.232 12.071 1.797 1.00 14.60 H new ATOM 0 HB3 HIS A 177 30.493 10.861 1.922 1.00 14.60 H new ATOM 0 HD1 HIS A 177 30.316 8.758 0.291 1.00 14.51 H new ATOM 0 HD2 HIS A 177 27.661 11.900 -0.490 1.00 14.51 H new ATOM 0 HE1 HIS A 177 29.426 8.382 -2.058 1.00 14.56 H new ATOM 2786 N LEU A 178 27.205 12.223 3.215 1.00 16.06 N ATOM 2787 CA LEU A 178 25.968 12.905 3.577 1.00 17.08 C ATOM 2788 C LEU A 178 24.922 12.803 2.469 1.00 17.58 C ATOM 2789 O LEU A 178 23.765 12.472 2.737 1.00 17.74 O ATOM 2790 CB LEU A 178 26.236 14.376 3.927 1.00 17.47 C ATOM 2791 CG LEU A 178 27.051 14.618 5.208 1.00 17.56 C ATOM 2792 CD1 LEU A 178 28.522 14.288 5.001 1.00 17.99 C ATOM 2793 CD2 LEU A 178 26.889 16.056 5.674 1.00 17.68 C ATOM 0 H LEU A 178 28.007 12.843 3.102 1.00 16.06 H new ATOM 0 HA LEU A 178 25.568 12.404 4.459 1.00 17.08 H new ATOM 0 HB2 LEU A 178 26.761 14.840 3.091 1.00 17.47 H new ATOM 0 HB3 LEU A 178 25.278 14.887 4.025 1.00 17.47 H new ATOM 0 HG LEU A 178 26.666 13.952 5.980 1.00 17.56 H new ATOM 0 HD11 LEU A 178 29.069 14.470 5.926 1.00 17.99 H new ATOM 0 HD12 LEU A 178 28.624 13.240 4.720 1.00 17.99 H new ATOM 0 HD13 LEU A 178 28.928 14.917 4.209 1.00 17.99 H new ATOM 0 HD21 LEU A 178 27.472 16.212 6.582 1.00 17.68 H new ATOM 0 HD22 LEU A 178 27.242 16.733 4.896 1.00 17.68 H new ATOM 0 HD23 LEU A 178 25.837 16.256 5.879 1.00 17.68 H new ATOM 2805 N GLU A 179 25.332 13.092 1.234 1.00 17.95 N ATOM 2806 CA GLU A 179 24.441 13.000 0.068 1.00 18.57 C ATOM 2807 C GLU A 179 23.254 13.951 0.193 1.00 19.13 C ATOM 2808 O GLU A 179 22.232 13.767 -0.475 1.00 19.11 O ATOM 2809 CB GLU A 179 23.922 11.573 -0.105 1.00 18.91 C ATOM 2810 CG GLU A 179 25.014 10.541 -0.276 1.00 18.77 C ATOM 2811 CD GLU A 179 24.472 9.135 -0.311 1.00 18.94 C ATOM 2812 OE1 GLU A 179 24.262 8.550 0.773 1.00 19.19 O ATOM 2813 OE2 GLU A 179 24.263 8.605 -1.417 1.00 18.93 O ATOM 0 H GLU A 179 26.280 13.394 1.010 1.00 17.95 H new ATOM 0 HA GLU A 179 25.028 13.284 -0.806 1.00 18.57 H new ATOM 0 HB2 GLU A 179 23.318 11.309 0.763 1.00 18.91 H new ATOM 0 HB3 GLU A 179 23.264 11.539 -0.973 1.00 18.91 H new ATOM 0 HG2 GLU A 179 25.559 10.741 -1.199 1.00 18.77 H new ATOM 0 HG3 GLU A 179 25.728 10.632 0.542 1.00 18.77 H new ATOM 2820 N HIS A 180 23.403 14.970 1.033 1.00 19.74 N ATOM 2821 CA HIS A 180 22.326 15.914 1.315 1.00 20.41 C ATOM 2822 C HIS A 180 21.091 15.185 1.837 1.00 20.84 C ATOM 2823 O HIS A 180 19.959 15.554 1.524 1.00 21.13 O ATOM 2824 CB HIS A 180 21.985 16.744 0.071 1.00 21.03 C ATOM 2825 CG HIS A 180 23.092 17.660 -0.354 1.00 21.37 C ATOM 2826 ND1 HIS A 180 23.220 18.951 0.106 1.00 21.96 N ATOM 2827 CD2 HIS A 180 24.135 17.458 -1.190 1.00 21.34 C ATOM 2828 CE1 HIS A 180 24.292 19.502 -0.428 1.00 22.26 C ATOM 2829 NE2 HIS A 180 24.868 18.617 -1.218 1.00 21.90 N ATOM 0 H HIS A 180 24.269 15.165 1.536 1.00 19.74 H new ATOM 0 HA HIS A 180 22.670 16.598 2.091 1.00 20.41 H new ATOM 0 HB2 HIS A 180 21.745 16.070 -0.752 1.00 21.03 H new ATOM 0 HB3 HIS A 180 21.091 17.335 0.271 1.00 21.03 H new ATOM 0 HD2 HIS A 180 24.351 16.551 -1.735 1.00 21.34 H new ATOM 0 HE1 HIS A 180 24.640 20.509 -0.249 1.00 22.26 H new ATOM 0 HE2 HIS A 180 25.718 18.769 -1.760 1.00 21.90 H new ATOM 2838 N HIS A 181 21.325 14.151 2.647 1.00 20.99 N ATOM 2839 CA HIS A 181 20.243 13.400 3.274 1.00 21.54 C ATOM 2840 C HIS A 181 19.541 14.277 4.303 1.00 22.31 C ATOM 2841 O HIS A 181 18.380 14.057 4.641 1.00 22.51 O ATOM 2842 CB HIS A 181 20.779 12.128 3.938 1.00 21.37 C ATOM 2843 CG HIS A 181 19.706 11.178 4.385 1.00 21.01 C ATOM 2844 ND1 HIS A 181 19.603 10.702 5.675 1.00 20.83 N ATOM 2845 CD2 HIS A 181 18.696 10.597 3.693 1.00 20.92 C ATOM 2846 CE1 HIS A 181 18.578 9.874 5.756 1.00 20.64 C ATOM 2847 NE2 HIS A 181 18.011 9.793 4.568 1.00 20.70 N ATOM 0 H HIS A 181 22.259 13.816 2.883 1.00 20.99 H new ATOM 0 HA HIS A 181 19.529 13.106 2.505 1.00 21.54 H new ATOM 0 HB2 HIS A 181 21.437 11.614 3.238 1.00 21.37 H new ATOM 0 HB3 HIS A 181 21.386 12.407 4.799 1.00 21.37 H new ATOM 0 HD2 HIS A 181 18.472 10.740 2.646 1.00 20.92 H new ATOM 0 HE1 HIS A 181 18.258 9.351 6.645 1.00 20.64 H new ATOM 0 HE2 HIS A 181 17.196 9.225 4.337 1.00 20.70 H new ATOM 2856 N HIS A 182 20.263 15.262 4.810 1.00 22.83 N ATOM 2857 CA HIS A 182 19.675 16.278 5.661 1.00 23.69 C ATOM 2858 C HIS A 182 19.464 17.542 4.851 1.00 24.16 C ATOM 2859 O HIS A 182 20.386 18.333 4.667 1.00 24.40 O ATOM 2860 CB HIS A 182 20.559 16.574 6.874 1.00 24.01 C ATOM 2861 CG HIS A 182 20.501 15.521 7.935 1.00 24.24 C ATOM 2862 ND1 HIS A 182 21.570 14.721 8.267 1.00 24.67 N ATOM 2863 CD2 HIS A 182 19.492 15.156 8.758 1.00 24.22 C ATOM 2864 CE1 HIS A 182 21.221 13.910 9.246 1.00 24.89 C ATOM 2865 NE2 HIS A 182 19.964 14.153 9.566 1.00 24.63 N ATOM 0 H HIS A 182 21.263 15.378 4.645 1.00 22.83 H new ATOM 0 HA HIS A 182 18.719 15.908 6.033 1.00 23.69 H new ATOM 0 HB2 HIS A 182 21.591 16.685 6.541 1.00 24.01 H new ATOM 0 HB3 HIS A 182 20.259 17.529 7.306 1.00 24.01 H new ATOM 0 HD2 HIS A 182 18.497 15.577 8.776 1.00 24.22 H new ATOM 0 HE1 HIS A 182 21.857 13.170 9.709 1.00 24.89 H new ATOM 0 HE2 HIS A 182 19.432 13.675 10.293 1.00 24.63 H new ATOM 2874 N HIS A 183 18.257 17.710 4.341 1.00 24.38 N ATOM 2875 CA HIS A 183 17.948 18.848 3.493 1.00 24.93 C ATOM 2876 C HIS A 183 17.812 20.115 4.329 1.00 25.44 C ATOM 2877 O HIS A 183 18.185 21.201 3.889 1.00 25.58 O ATOM 2878 CB HIS A 183 16.665 18.596 2.702 1.00 25.08 C ATOM 2879 CG HIS A 183 16.415 19.617 1.637 1.00 25.22 C ATOM 2880 ND1 HIS A 183 15.571 20.690 1.803 1.00 25.36 N ATOM 2881 CD2 HIS A 183 16.914 19.725 0.384 1.00 25.35 C ATOM 2882 CE1 HIS A 183 15.560 21.413 0.701 1.00 25.56 C ATOM 2883 NE2 HIS A 183 16.368 20.849 -0.176 1.00 25.56 N ATOM 0 H HIS A 183 17.475 17.074 4.499 1.00 24.38 H new ATOM 0 HA HIS A 183 18.769 18.982 2.788 1.00 24.93 H new ATOM 0 HB2 HIS A 183 16.717 17.608 2.244 1.00 25.08 H new ATOM 0 HB3 HIS A 183 15.819 18.584 3.389 1.00 25.08 H new ATOM 0 HD2 HIS A 183 17.613 19.050 -0.087 1.00 25.35 H new ATOM 0 HE1 HIS A 183 14.987 22.314 0.543 1.00 25.56 H new ATOM 0 HE2 HIS A 183 16.555 21.194 -1.117 1.00 25.56 H new ATOM 2892 N HIS A 184 17.280 19.974 5.535 1.00 25.80 N ATOM 2893 CA HIS A 184 17.138 21.111 6.432 1.00 26.40 C ATOM 2894 C HIS A 184 17.972 20.892 7.687 1.00 26.96 C ATOM 2895 O HIS A 184 18.161 19.759 8.126 1.00 27.37 O ATOM 2896 CB HIS A 184 15.663 21.367 6.791 1.00 26.76 C ATOM 2897 CG HIS A 184 15.003 20.281 7.592 1.00 26.84 C ATOM 2898 ND1 HIS A 184 14.185 19.323 7.034 1.00 26.92 N ATOM 2899 CD2 HIS A 184 15.024 20.023 8.922 1.00 26.96 C ATOM 2900 CE1 HIS A 184 13.731 18.528 7.983 1.00 27.09 C ATOM 2901 NE2 HIS A 184 14.225 18.930 9.137 1.00 27.11 N ATOM 0 H HIS A 184 16.942 19.089 5.913 1.00 25.80 H new ATOM 0 HA HIS A 184 17.504 21.999 5.916 1.00 26.40 H new ATOM 0 HB2 HIS A 184 15.598 22.300 7.351 1.00 26.76 H new ATOM 0 HB3 HIS A 184 15.100 21.509 5.868 1.00 26.76 H new ATOM 0 HD2 HIS A 184 15.569 20.576 9.673 1.00 26.96 H new ATOM 0 HE1 HIS A 184 13.066 17.689 7.839 1.00 27.09 H new ATOM 0 HE2 HIS A 184 14.042 18.498 10.043 1.00 27.11 H new ATOM 2910 N HIS A 185 18.471 21.978 8.253 1.00 27.04 N ATOM 2911 CA HIS A 185 19.321 21.903 9.431 1.00 27.63 C ATOM 2912 C HIS A 185 18.480 22.024 10.697 1.00 27.78 C ATOM 2913 O HIS A 185 18.145 20.977 11.289 1.00 27.59 O ATOM 2914 CB HIS A 185 20.394 22.998 9.387 1.00 28.05 C ATOM 2915 CG HIS A 185 21.418 22.886 10.476 1.00 28.32 C ATOM 2916 ND1 HIS A 185 21.548 23.814 11.486 1.00 28.85 N ATOM 2917 CD2 HIS A 185 22.370 21.950 10.705 1.00 28.21 C ATOM 2918 CE1 HIS A 185 22.531 23.455 12.288 1.00 29.06 C ATOM 2919 NE2 HIS A 185 23.045 22.329 11.837 1.00 28.68 N ATOM 2920 OXT HIS A 185 18.137 23.160 11.084 1.00 28.16 O ATOM 0 H HIS A 185 18.302 22.925 7.915 1.00 27.04 H new ATOM 0 HA HIS A 185 19.821 20.935 9.440 1.00 27.63 H new ATOM 0 HB2 HIS A 185 20.899 22.961 8.422 1.00 28.05 H new ATOM 0 HB3 HIS A 185 19.909 23.972 9.456 1.00 28.05 H new ATOM 0 HD2 HIS A 185 22.561 21.070 10.108 1.00 28.21 H new ATOM 0 HE1 HIS A 185 22.859 23.993 13.165 1.00 29.06 H new ATOM 0 HE2 HIS A 185 23.821 21.821 12.262 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -15.754 -18.577 3.134 1.00 3.23 C HETATM 2931 O ACE B1001 -15.013 -19.462 3.573 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -16.409 -17.603 4.092 1.00 4.05 C HETATM 0 H1 ACE B1001 -16.096 -16.588 3.849 1.00 4.05 H new HETATM 0 H2 ACE B1001 -17.493 -17.680 4.004 1.00 4.05 H new HETATM 0 H3 ACE B1001 -16.110 -17.840 5.113 1.00 4.05 H new ATOM 2936 N GLY B1002 -15.997 -18.454 1.835 1.00 2.68 N ATOM 2937 CA GLY B1002 -15.394 -19.360 0.878 1.00 2.37 C ATOM 2938 C GLY B1002 -14.149 -18.774 0.252 1.00 2.24 C ATOM 2939 O GLY B1002 -13.125 -19.447 0.124 1.00 2.97 O ATOM 0 H GLY B1002 -16.602 -17.741 1.427 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -15.144 -20.298 1.374 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -16.116 -19.596 0.097 1.00 2.37 H new ATOM 2943 N CYS B1003 -14.233 -17.515 -0.134 1.00 1.72 N ATOM 2944 CA CYS B1003 -13.107 -16.820 -0.727 1.00 1.60 C ATOM 2945 C CYS B1003 -12.643 -15.715 0.200 1.00 1.42 C ATOM 2946 O CYS B1003 -12.714 -15.867 1.415 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.508 -16.228 -2.072 1.00 1.63 C ATOM 2948 SG CYS B1003 -14.326 -17.406 -3.188 1.00 1.94 S ATOM 0 H CYS B1003 -15.077 -16.949 -0.046 1.00 1.72 H new ATOM 0 HA CYS B1003 -12.293 -17.529 -0.880 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -14.175 -15.383 -1.900 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.618 -15.836 -2.564 1.00 1.63 H new ATOM 2953 N VAL B1004 -12.139 -14.624 -0.388 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.844 -13.386 0.326 1.00 1.19 C ATOM 2955 C VAL B1004 -10.943 -13.623 1.552 1.00 1.19 C ATOM 2956 O VAL B1004 -9.733 -13.747 1.378 1.00 1.63 O ATOM 2957 CB VAL B1004 -13.150 -12.607 0.634 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -13.894 -12.384 -0.667 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -14.077 -13.299 1.631 1.00 1.42 C ATOM 0 H VAL B1004 -11.924 -14.580 -1.384 1.00 1.37 H new ATOM 0 HA VAL B1004 -11.253 -12.742 -0.325 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.853 -11.669 1.103 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -14.816 -11.837 -0.470 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -13.269 -11.808 -1.349 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -14.133 -13.347 -1.119 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.965 -12.686 1.788 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.373 -14.272 1.238 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -13.556 -13.433 2.579 1.00 1.42 H new ATOM 2969 N GLY B1005 -11.501 -13.674 2.765 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.756 -14.165 3.920 1.00 1.07 C ATOM 2971 C GLY B1005 -9.985 -15.468 3.673 1.00 1.05 C ATOM 2972 O GLY B1005 -9.081 -15.806 4.430 1.00 1.20 O ATOM 0 H GLY B1005 -12.457 -13.383 2.968 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -10.052 -13.395 4.236 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.451 -14.320 4.746 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.364 -16.221 2.645 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.616 -17.403 2.236 1.00 1.08 C ATOM 2978 C ARG B1006 -8.693 -17.120 1.055 1.00 1.04 C ATOM 2979 O ARG B1006 -7.669 -17.776 0.892 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.571 -18.528 1.850 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.865 -19.482 2.983 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.554 -18.786 4.142 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.812 -19.697 5.257 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.756 -19.500 6.179 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -13.488 -18.394 6.167 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.954 -20.395 7.136 1.00 2.87 N ATOM 0 H ARG B1006 -11.190 -16.031 2.077 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.006 -17.699 3.089 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.507 -18.095 1.498 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -10.145 -19.086 1.017 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.495 -20.294 2.620 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.935 -19.932 3.330 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -10.935 -17.958 4.487 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.496 -18.358 3.799 1.00 1.55 H new ATOM 0 HE ARG B1006 -11.235 -20.534 5.334 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -13.331 -17.686 5.449 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -14.208 -18.251 6.875 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.383 -21.240 7.170 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -13.677 -20.239 7.838 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.051 -16.142 0.237 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.378 -15.936 -1.039 1.00 1.05 C ATOM 3002 C ALA B1007 -7.218 -14.956 -0.927 1.00 1.02 C ATOM 3003 O ALA B1007 -6.067 -15.340 -1.105 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.372 -15.468 -2.088 1.00 1.10 C ATOM 0 H ALA B1007 -9.802 -15.479 0.432 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.959 -16.895 -1.345 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.856 -15.318 -3.036 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -10.150 -16.221 -2.213 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.824 -14.529 -1.768 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.521 -13.700 -0.623 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.501 -12.653 -0.564 1.00 0.83 C ATOM 3012 C LEU B1008 -5.562 -12.945 0.590 1.00 0.78 C ATOM 3013 O LEU B1008 -4.366 -12.686 0.517 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.185 -11.289 -0.435 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.351 -11.161 -1.404 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -9.185 -9.921 -1.199 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -7.855 -11.225 -2.834 1.00 1.33 C ATOM 0 H LEU B1008 -8.466 -13.378 -0.413 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.906 -12.633 -1.477 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -7.542 -11.154 0.586 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.461 -10.497 -0.627 1.00 0.90 H new ATOM 0 HG LEU B1008 -9.008 -12.006 -1.196 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -9.995 -9.903 -1.928 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -9.603 -9.926 -0.192 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -8.561 -9.037 -1.329 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -8.700 -11.132 -3.517 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -7.153 -10.410 -3.012 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -7.355 -12.179 -3.003 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.142 -13.475 1.653 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.404 -14.111 2.724 1.00 0.78 C ATOM 3031 C ALA B1009 -4.282 -14.993 2.179 1.00 0.80 C ATOM 3032 O ALA B1009 -3.106 -14.796 2.471 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.341 -14.963 3.555 1.00 0.88 C ATOM 0 H ALA B1009 -7.152 -13.474 1.796 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.963 -13.326 3.338 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.782 -15.440 4.360 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.124 -14.335 3.980 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.793 -15.728 2.924 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.674 -15.964 1.362 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.751 -16.957 0.834 1.00 0.94 C ATOM 3041 C ALA B1010 -2.819 -16.362 -0.214 1.00 0.92 C ATOM 3042 O ALA B1010 -1.631 -16.679 -0.256 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.528 -18.120 0.246 1.00 1.03 C ATOM 0 H ALA B1010 -5.637 -16.083 1.049 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.132 -17.312 1.658 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.832 -18.861 -0.148 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.143 -18.576 1.022 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.168 -17.760 -0.559 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.364 -15.502 -1.061 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.574 -14.826 -2.082 1.00 0.93 C ATOM 3051 C PHE B1011 -1.594 -13.851 -1.437 1.00 0.85 C ATOM 3052 O PHE B1011 -0.548 -13.530 -2.005 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.490 -14.097 -3.071 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.064 -14.990 -4.142 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.382 -15.169 -5.331 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.282 -15.642 -3.971 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.893 -15.979 -6.324 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.797 -16.449 -4.960 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.102 -16.621 -6.139 1.00 1.46 C ATOM 0 H PHE B1011 -4.353 -15.254 -1.062 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.002 -15.574 -2.631 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.309 -13.634 -2.520 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.929 -13.291 -3.545 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.437 -14.669 -5.484 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.830 -15.513 -3.050 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.347 -16.111 -7.247 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.744 -16.947 -4.813 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.502 -17.256 -6.916 1.00 1.46 H new ATOM 3069 N GLY B1012 -1.934 -13.405 -0.237 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.083 -12.500 0.501 1.00 0.72 C ATOM 3071 C GLY B1012 0.060 -13.212 1.186 1.00 0.73 C ATOM 3072 O GLY B1012 0.925 -12.578 1.779 1.00 0.78 O ATOM 0 H GLY B1012 -2.797 -13.659 0.243 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -0.683 -11.747 -0.178 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.678 -11.973 1.247 1.00 0.72 H new ATOM 3076 N ASP B1013 0.065 -14.534 1.109 1.00 0.78 N ATOM 3077 CA ASP B1013 1.160 -15.325 1.655 1.00 0.86 C ATOM 3078 C ASP B1013 2.378 -15.216 0.742 1.00 0.93 C ATOM 3079 O ASP B1013 3.519 -15.392 1.170 1.00 1.06 O ATOM 3080 CB ASP B1013 0.732 -16.792 1.795 1.00 0.98 C ATOM 3081 CG ASP B1013 1.789 -17.666 2.441 1.00 1.18 C ATOM 3082 OD1 ASP B1013 1.821 -17.753 3.687 1.00 1.48 O ATOM 3083 OD2 ASP B1013 2.613 -18.253 1.706 1.00 1.90 O ATOM 0 H ASP B1013 -0.676 -15.083 0.674 1.00 0.78 H new ATOM 0 HA ASP B1013 1.420 -14.943 2.642 1.00 0.86 H new ATOM 0 HB2 ASP B1013 -0.182 -16.842 2.387 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.495 -17.190 0.808 1.00 0.98 H new ATOM 3088 N CYS B1014 2.124 -14.863 -0.513 1.00 0.93 N ATOM 3089 CA CYS B1014 3.157 -14.856 -1.541 1.00 1.06 C ATOM 3090 C CYS B1014 4.033 -13.604 -1.476 1.00 1.08 C ATOM 3091 O CYS B1014 4.855 -13.375 -2.362 1.00 1.44 O ATOM 3092 CB CYS B1014 2.516 -14.966 -2.923 1.00 1.12 C ATOM 3093 SG CYS B1014 1.303 -16.316 -3.060 1.00 1.34 S ATOM 0 H CYS B1014 1.203 -14.576 -0.844 1.00 0.93 H new ATOM 0 HA CYS B1014 3.801 -15.716 -1.359 1.00 1.06 H new ATOM 0 HB2 CYS B1014 2.025 -14.023 -3.163 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.299 -15.116 -3.666 1.00 1.12 H new ATOM 3098 N ILE B1015 3.875 -12.795 -0.433 1.00 1.14 N ATOM 3099 CA ILE B1015 4.738 -11.631 -0.259 1.00 1.23 C ATOM 3100 C ILE B1015 6.000 -12.002 0.511 1.00 1.67 C ATOM 3101 O ILE B1015 6.829 -11.147 0.820 1.00 2.20 O ATOM 3102 CB ILE B1015 4.023 -10.438 0.431 1.00 1.32 C ATOM 3103 CG1 ILE B1015 3.285 -10.874 1.705 1.00 2.19 C ATOM 3104 CG2 ILE B1015 3.059 -9.763 -0.532 1.00 1.41 C ATOM 3105 CD1 ILE B1015 4.179 -11.104 2.905 1.00 2.91 C ATOM 0 H ILE B1015 3.170 -12.920 0.294 1.00 1.14 H new ATOM 0 HA ILE B1015 5.008 -11.302 -1.262 1.00 1.23 H new ATOM 0 HB ILE B1015 4.792 -9.723 0.723 1.00 1.32 H new ATOM 0 HG12 ILE B1015 2.546 -10.114 1.959 1.00 2.19 H new ATOM 0 HG13 ILE B1015 2.737 -11.793 1.495 1.00 2.19 H new ATOM 0 HG21 ILE B1015 2.568 -8.929 -0.030 1.00 1.41 H new ATOM 0 HG22 ILE B1015 3.609 -9.393 -1.397 1.00 1.41 H new ATOM 0 HG23 ILE B1015 2.309 -10.483 -0.860 1.00 1.41 H new ATOM 0 HD11 ILE B1015 3.572 -11.409 3.758 1.00 2.91 H new ATOM 0 HD12 ILE B1015 4.902 -11.887 2.676 1.00 2.91 H new ATOM 0 HD13 ILE B1015 4.708 -10.182 3.147 1.00 2.91 H new ATOM 3117 N ASN B1016 6.145 -13.288 0.800 1.00 2.03 N ATOM 3118 CA ASN B1016 7.313 -13.785 1.510 1.00 2.59 C ATOM 3119 C ASN B1016 8.287 -14.408 0.526 1.00 2.83 C ATOM 3120 O ASN B1016 7.889 -14.861 -0.551 1.00 3.29 O ATOM 3121 CB ASN B1016 6.914 -14.820 2.567 1.00 3.32 C ATOM 3122 CG ASN B1016 6.034 -14.244 3.661 1.00 3.73 C ATOM 3123 OD1 ASN B1016 6.527 -13.703 4.652 1.00 4.03 O ATOM 3124 ND2 ASN B1016 4.727 -14.377 3.503 1.00 4.29 N ATOM 0 H ASN B1016 5.465 -14.007 0.552 1.00 2.03 H new ATOM 0 HA ASN B1016 7.790 -12.944 2.014 1.00 2.59 H new ATOM 0 HB2 ASN B1016 6.389 -15.642 2.082 1.00 3.32 H new ATOM 0 HB3 ASN B1016 7.815 -15.238 3.016 1.00 3.32 H new ATOM 0 HD21 ASN B1016 4.089 -14.025 4.217 1.00 4.29 H new ATOM 0 HD22 ASN B1016 4.358 -14.831 2.668 1.00 4.29 H new ATOM 3131 N ARG B1017 9.561 -14.420 0.884 1.00 3.18 N ATOM 3132 CA ARG B1017 10.586 -14.985 0.020 1.00 3.90 C ATOM 3133 C ARG B1017 11.039 -16.336 0.557 1.00 4.54 C ATOM 3134 O ARG B1017 10.598 -17.382 0.084 1.00 5.06 O ATOM 3135 CB ARG B1017 11.783 -14.036 -0.102 1.00 4.55 C ATOM 3136 CG ARG B1017 11.410 -12.621 -0.528 1.00 5.10 C ATOM 3137 CD ARG B1017 10.570 -12.609 -1.797 1.00 5.97 C ATOM 3138 NE ARG B1017 11.280 -13.160 -2.950 1.00 6.51 N ATOM 3139 CZ ARG B1017 10.742 -13.272 -4.167 1.00 7.49 C ATOM 3140 NH1 ARG B1017 9.469 -12.950 -4.365 1.00 8.03 N ATOM 3141 NH2 ARG B1017 11.470 -13.724 -5.179 1.00 8.17 N ATOM 0 H ARG B1017 9.910 -14.045 1.766 1.00 3.18 H new ATOM 0 HA ARG B1017 10.158 -15.123 -0.973 1.00 3.90 H new ATOM 0 HB2 ARG B1017 12.298 -13.992 0.858 1.00 4.55 H new ATOM 0 HB3 ARG B1017 12.488 -14.448 -0.824 1.00 4.55 H new ATOM 0 HG2 ARG B1017 10.858 -12.134 0.276 1.00 5.10 H new ATOM 0 HG3 ARG B1017 12.318 -12.040 -0.689 1.00 5.10 H new ATOM 0 HD2 ARG B1017 9.658 -13.182 -1.629 1.00 5.97 H new ATOM 0 HD3 ARG B1017 10.267 -11.585 -2.017 1.00 5.97 H new ATOM 0 HE ARG B1017 12.240 -13.477 -2.817 1.00 6.51 H new ATOM 0 HH11 ARG B1017 8.900 -12.616 -3.587 1.00 8.03 H new ATOM 0 HH12 ARG B1017 9.060 -13.036 -5.295 1.00 8.03 H new ATOM 0 HH21 ARG B1017 12.444 -13.987 -5.029 1.00 8.17 H new ATOM 0 HH22 ARG B1017 11.056 -13.808 -6.107 1.00 8.17 H new HETATM 3155 N NH2 B1018 11.906 -16.317 1.557 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -13.209 -18.825 -3.047 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.734 -18.400 -3.010 1.00 1.78 C HETATM 3161 O2 33B B1100 -11.366 -17.328 -3.480 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.924 -19.263 -2.409 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.596 -19.167 -2.567 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.765 -19.428 -1.471 1.00 1.42 C HETATM 3165 C6 33B B1100 -9.014 -18.839 -3.809 1.00 1.47 C HETATM 3166 S6 33B B1100 -9.966 -18.545 -5.256 1.00 1.71 S HETATM 3167 C7 33B B1100 -7.378 -19.377 -1.614 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.635 -18.783 -3.925 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.821 -19.061 -2.846 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.508 -19.065 -3.036 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.709 -19.328 -2.143 1.00 1.51 N HETATM 3172 C12 33B B1100 -3.419 -19.292 -2.450 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.436 -19.589 -1.511 1.00 1.75 C HETATM 3174 C14 33B B1100 -3.067 -18.951 -3.736 1.00 1.42 C HETATM 3175 C15 33B B1100 -1.093 -19.531 -1.876 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.734 -18.897 -4.106 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.745 -19.179 -3.179 1.00 1.60 C HETATM 3178 S17 33B B1100 -1.288 -18.516 -5.749 1.00 1.38 S HETATM 3179 N18 33B B1100 0.531 -19.056 -3.538 1.00 1.62 N HETATM 3180 C19 33B B1100 1.458 -19.014 -2.585 1.00 1.65 C HETATM 3181 O19 33B B1100 1.644 -19.904 -1.758 1.00 1.92 O HETATM 3182 C20 33B B1100 2.307 -17.745 -2.587 1.00 1.43 C HETATM 3183 O61 33B B1100 -10.165 -17.068 -5.429 1.00 2.13 O HETATM 3184 O62 33B B1100 -11.306 -19.216 -5.172 1.00 2.30 O HETATM 3185 O63 33B B1100 -9.226 -19.079 -6.455 1.00 2.30 O HETATM 3186 O71 33B B1100 -2.510 -18.384 -6.611 1.00 1.73 O HETATM 3187 O72 33B B1100 -0.521 -17.226 -5.772 1.00 2.03 O HETATM 3188 O73 33B B1100 -0.411 -19.606 -6.296 1.00 2.14 O HETATM 0 HO72 33B B1100 -0.143 -17.054 -4.884 1.00 2.03 H new HETATM 0 HO62 33B B1100 -11.814 -19.035 -5.990 1.00 2.30 H new HETATM 0 HN18 33B B1100 0.792 -18.995 -4.522 1.00 1.62 H new HETATM 0 HN3 33B B1100 -11.314 -20.002 -1.824 1.00 1.51 H new HETATM 0 H8 33B B1100 -7.187 -18.516 -4.882 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.733 -19.585 -0.760 1.00 1.43 H new HETATM 0 H5 33B B1100 -9.203 -19.672 -0.503 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.317 -19.760 -1.145 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.842 -18.722 -4.467 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.716 -19.866 -0.494 1.00 1.75 H new