USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN :FLIP amide:sc= -0.511 F(o=-2.3,f=-0.4) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.115 K(o=-0.4,f=-1.2) USER MOD Set 2.1: A 22 THR OG1 : rot -158:sc= -0.465 USER MOD Set 2.2: A 25 ASN :FLIP amide:sc= -0.594 F(o=-4.2!,f=-1.1) USER MOD Single : A 1 MET CE :methyl 171:sc= -0.252 (180deg=-0.407) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.22 (180deg=0.195) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.27 F(o=-2,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 85:sc= 0.296 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 0.337 (180deg=0.0125) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.4!) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc=-0.00925 (180deg=-0.195) USER MOD Single : A 40 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 41 GLN : amide:sc= -3.34 K(o=-3.3,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 144:sc= -0.103 (180deg=-0.463) USER MOD Single : A 49 GLN :FLIP amide:sc= -3.57! C(o=-4.9!,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.555 USER MOD Single : A 59 TYR OH : rot -68:sc= 0.0693 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 123:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.993 K(o=-0.99,f=-2.3!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 CYS SG : rot 180:sc= -2.3! USER MOD Single : B 11 THR OG1 : rot 166:sc= 1.48 USER MOD Single : B 15 TYR OH : rot -143:sc= 0.79 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.868 USER MOD Single : B 18 THR OG1 : rot 110:sc= -0.186 USER MOD Single : B 19 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.8!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.553 USER MOD Single : B 32 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-2.2!) USER MOD Single : B 35 SER OG : rot -109:sc= 0.00807 USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot -102:sc= 0.809 USER MOD Single : B 45 LYS NZ :NH3+ 176:sc= -1.75 (180deg=-1.8) USER MOD Single : B 49 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.57) USER MOD Single : B 51 LYS NZ :NH3+ -164:sc= -0.0425 (180deg=-0.298) USER MOD Single : B 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.0043) USER MOD Single : B 64 SER OG : rot 31:sc= 0.626 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.976 -20.592 -5.355 1.00 15.13 N ATOM 2 CA MET A 1 -13.660 -20.131 -4.841 1.00 14.88 C ATOM 3 C MET A 1 -13.431 -18.658 -5.172 1.00 13.56 C ATOM 4 O MET A 1 -12.911 -18.324 -6.237 1.00 12.96 O ATOM 5 CB MET A 1 -12.532 -20.982 -5.435 1.00 15.67 C ATOM 6 CG MET A 1 -11.141 -20.546 -5.000 1.00 15.34 C ATOM 7 SD MET A 1 -10.952 -20.504 -3.208 1.00 16.50 S ATOM 8 CE MET A 1 -11.189 -22.232 -2.795 1.00 15.91 C ATOM 0 H1 MET A 1 -15.169 -21.551 -5.003 1.00 15.13 H new ATOM 0 H2 MET A 1 -15.722 -19.946 -5.027 1.00 15.13 H new ATOM 0 H3 MET A 1 -14.959 -20.601 -6.395 1.00 15.13 H new ATOM 0 HA MET A 1 -13.660 -20.244 -3.757 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.684 -22.022 -5.147 1.00 15.67 H new ATOM 0 HB3 MET A 1 -12.592 -20.941 -6.523 1.00 15.67 H new ATOM 0 HG2 MET A 1 -10.403 -21.227 -5.423 1.00 15.34 H new ATOM 0 HG3 MET A 1 -10.931 -19.557 -5.406 1.00 15.34 H new ATOM 0 HE1 MET A 1 -10.944 -22.392 -1.745 1.00 15.91 H new ATOM 0 HE2 MET A 1 -12.228 -22.509 -2.972 1.00 15.91 H new ATOM 0 HE3 MET A 1 -10.539 -22.847 -3.417 1.00 15.91 H new ATOM 20 N GLN A 2 -13.833 -17.782 -4.254 1.00 13.22 N ATOM 21 CA GLN A 2 -13.671 -16.342 -4.439 1.00 12.04 C ATOM 22 C GLN A 2 -12.259 -15.901 -4.068 1.00 11.88 C ATOM 23 O GLN A 2 -11.648 -16.453 -3.153 1.00 12.64 O ATOM 24 CB GLN A 2 -14.691 -15.584 -3.587 1.00 11.89 C ATOM 25 CG GLN A 2 -16.136 -15.908 -3.930 1.00 10.95 C ATOM 26 CD GLN A 2 -16.487 -15.561 -5.364 1.00 11.15 C ATOM 27 OE1 GLN A 2 -16.306 -16.517 -6.266 1.00 10.74 O flip ATOM 28 NE2 GLN A 2 -16.916 -14.445 -5.658 1.00 11.94 N flip ATOM 0 H GLN A 2 -14.274 -18.045 -3.373 1.00 13.22 H new ATOM 0 HA GLN A 2 -13.839 -16.114 -5.491 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -14.516 -15.814 -2.536 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.529 -14.513 -3.710 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -16.316 -16.970 -3.763 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -16.797 -15.363 -3.256 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -17.040 -13.739 -4.932 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -17.147 -14.227 -6.627 1.00 11.94 H new ATOM 37 N ILE A 3 -11.747 -14.904 -4.786 1.00 10.95 N ATOM 38 CA ILE A 3 -10.408 -14.379 -4.536 1.00 10.68 C ATOM 39 C ILE A 3 -10.340 -12.885 -4.842 1.00 9.47 C ATOM 40 O ILE A 3 -11.085 -12.378 -5.682 1.00 8.82 O ATOM 41 CB ILE A 3 -9.336 -15.115 -5.374 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.642 -14.994 -6.871 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.249 -16.579 -4.962 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.533 -15.512 -7.761 1.00 10.30 C ATOM 0 H ILE A 3 -12.242 -14.442 -5.549 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.200 -14.545 -3.479 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.371 -14.646 -5.184 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.559 -15.541 -7.091 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.830 -13.948 -7.111 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.490 -17.081 -5.562 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -8.981 -16.645 -3.908 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.214 -17.060 -5.121 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.820 -15.394 -8.806 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.620 -14.949 -7.570 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.359 -16.567 -7.549 1.00 10.30 H new ATOM 56 N PHE A 4 -9.444 -12.191 -4.149 1.00 9.25 N ATOM 57 CA PHE A 4 -9.266 -10.752 -4.332 1.00 8.23 C ATOM 58 C PHE A 4 -7.943 -10.452 -5.028 1.00 7.51 C ATOM 59 O PHE A 4 -6.953 -11.158 -4.827 1.00 7.97 O ATOM 60 CB PHE A 4 -9.318 -10.040 -2.978 1.00 8.76 C ATOM 61 CG PHE A 4 -10.513 -10.416 -2.147 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.782 -9.979 -2.497 1.00 10.81 C ATOM 63 CD2 PHE A 4 -10.369 -11.210 -1.019 1.00 9.35 C ATOM 64 CE1 PHE A 4 -12.882 -10.328 -1.738 1.00 11.64 C ATOM 65 CE2 PHE A 4 -11.467 -11.560 -0.256 1.00 10.22 C ATOM 66 CZ PHE A 4 -12.725 -11.118 -0.616 1.00 11.33 C ATOM 0 H PHE A 4 -8.825 -12.603 -3.451 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.076 -10.385 -4.962 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.411 -10.271 -2.420 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.325 -8.963 -3.143 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -11.911 -9.359 -3.372 1.00 10.81 H new ATOM 0 HD2 PHE A 4 -9.388 -11.559 -0.734 1.00 9.35 H new ATOM 0 HE1 PHE A 4 -13.865 -9.983 -2.022 1.00 11.64 H new ATOM 0 HE2 PHE A 4 -11.341 -12.178 0.621 1.00 10.22 H new ATOM 0 HZ PHE A 4 -13.585 -11.390 -0.021 1.00 11.33 H new ATOM 76 N VAL A 5 -7.933 -9.404 -5.849 1.00 6.47 N ATOM 77 CA VAL A 5 -6.732 -9.000 -6.572 1.00 5.80 C ATOM 78 C VAL A 5 -6.566 -7.482 -6.518 1.00 4.97 C ATOM 79 O VAL A 5 -7.169 -6.751 -7.303 1.00 4.55 O ATOM 80 CB VAL A 5 -6.762 -9.462 -8.045 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.472 -9.078 -8.760 1.00 5.38 C ATOM 82 CG2 VAL A 5 -6.998 -10.963 -8.131 1.00 6.66 C ATOM 0 H VAL A 5 -8.748 -8.818 -6.030 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.885 -9.482 -6.084 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.589 -8.956 -8.543 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.516 -9.414 -9.796 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.350 -7.995 -8.734 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.625 -9.550 -8.262 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -7.016 -11.269 -9.177 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.195 -11.488 -7.613 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -7.952 -11.209 -7.665 1.00 6.66 H new ATOM 92 N LYS A 6 -5.742 -7.022 -5.580 1.00 4.99 N ATOM 93 CA LYS A 6 -5.495 -5.594 -5.397 1.00 4.54 C ATOM 94 C LYS A 6 -4.501 -5.064 -6.425 1.00 3.66 C ATOM 95 O LYS A 6 -3.456 -5.664 -6.652 1.00 3.73 O ATOM 96 CB LYS A 6 -4.965 -5.337 -3.982 1.00 5.41 C ATOM 97 CG LYS A 6 -4.428 -3.927 -3.766 1.00 5.62 C ATOM 98 CD LYS A 6 -3.689 -3.809 -2.441 1.00 6.25 C ATOM 99 CE LYS A 6 -2.958 -2.481 -2.320 1.00 6.57 C ATOM 100 NZ LYS A 6 -2.130 -2.414 -1.084 1.00 6.86 N ATOM 0 H LYS A 6 -5.231 -7.621 -4.931 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.439 -5.067 -5.538 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.766 -5.523 -3.266 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -4.172 -6.053 -3.767 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.757 -3.663 -4.583 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -5.253 -3.215 -3.789 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.398 -3.910 -1.619 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -2.975 -4.627 -2.349 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -2.321 -2.337 -3.192 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -3.683 -1.667 -2.316 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -1.648 -1.494 -1.039 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -2.741 -2.526 -0.250 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.422 -3.175 -1.099 1.00 6.86 H new ATOM 114 N THR A 7 -4.836 -3.929 -7.031 1.00 3.27 N ATOM 115 CA THR A 7 -3.970 -3.304 -8.025 1.00 2.97 C ATOM 116 C THR A 7 -3.309 -2.058 -7.445 1.00 3.21 C ATOM 117 O THR A 7 -3.853 -1.415 -6.546 1.00 3.79 O ATOM 118 CB THR A 7 -4.761 -2.912 -9.290 1.00 3.37 C ATOM 119 OG1 THR A 7 -5.566 -4.014 -9.726 1.00 3.78 O ATOM 120 CG2 THR A 7 -3.822 -2.495 -10.415 1.00 3.68 C ATOM 0 H THR A 7 -5.703 -3.423 -6.851 1.00 3.27 H new ATOM 0 HA THR A 7 -3.207 -4.033 -8.299 1.00 2.97 H new ATOM 0 HB THR A 7 -5.401 -2.066 -9.039 1.00 3.37 H new ATOM 0 HG1 THR A 7 -6.415 -4.012 -9.237 1.00 3.78 H new ATOM 0 HG21 THR A 7 -4.406 -2.224 -11.295 1.00 3.68 H new ATOM 0 HG22 THR A 7 -3.229 -1.638 -10.095 1.00 3.68 H new ATOM 0 HG23 THR A 7 -3.159 -3.324 -10.661 1.00 3.68 H new ATOM 128 N LEU A 8 -2.135 -1.729 -7.966 1.00 3.26 N ATOM 129 CA LEU A 8 -1.382 -0.562 -7.516 1.00 3.74 C ATOM 130 C LEU A 8 -2.216 0.712 -7.642 1.00 4.78 C ATOM 131 O LEU A 8 -2.131 1.606 -6.800 1.00 5.48 O ATOM 132 CB LEU A 8 -0.105 -0.437 -8.346 1.00 3.85 C ATOM 133 CG LEU A 8 0.867 0.656 -7.901 1.00 3.89 C ATOM 134 CD1 LEU A 8 1.328 0.404 -6.471 1.00 4.36 C ATOM 135 CD2 LEU A 8 2.052 0.722 -8.856 1.00 4.09 C ATOM 0 H LEU A 8 -1.678 -2.259 -8.708 1.00 3.26 H new ATOM 0 HA LEU A 8 -1.127 -0.693 -6.464 1.00 3.74 H new ATOM 0 HB2 LEU A 8 0.417 -1.394 -8.323 1.00 3.85 H new ATOM 0 HB3 LEU A 8 -0.384 -0.250 -9.383 1.00 3.85 H new ATOM 0 HG LEU A 8 0.356 1.618 -7.925 1.00 3.89 H new ATOM 0 HD11 LEU A 8 2.020 1.190 -6.168 1.00 4.36 H new ATOM 0 HD12 LEU A 8 0.465 0.403 -5.805 1.00 4.36 H new ATOM 0 HD13 LEU A 8 1.830 -0.562 -6.415 1.00 4.36 H new ATOM 0 HD21 LEU A 8 2.739 1.504 -8.530 1.00 4.09 H new ATOM 0 HD22 LEU A 8 2.570 -0.237 -8.860 1.00 4.09 H new ATOM 0 HD23 LEU A 8 1.697 0.947 -9.862 1.00 4.09 H new ATOM 147 N THR A 9 -3.021 0.782 -8.701 1.00 5.08 N ATOM 148 CA THR A 9 -3.874 1.941 -8.951 1.00 6.24 C ATOM 149 C THR A 9 -4.794 2.216 -7.764 1.00 6.58 C ATOM 150 O THR A 9 -5.077 3.371 -7.440 1.00 7.61 O ATOM 151 CB THR A 9 -4.736 1.736 -10.212 1.00 6.63 C ATOM 152 OG1 THR A 9 -5.567 0.580 -10.053 1.00 5.90 O ATOM 153 CG2 THR A 9 -3.863 1.571 -11.447 1.00 7.65 C ATOM 0 H THR A 9 -3.100 0.046 -9.402 1.00 5.08 H new ATOM 0 HA THR A 9 -3.213 2.795 -9.100 1.00 6.24 H new ATOM 0 HB THR A 9 -5.360 2.619 -10.345 1.00 6.63 H new ATOM 0 HG1 THR A 9 -6.113 0.457 -10.857 1.00 5.90 H new ATOM 0 HG21 THR A 9 -4.495 1.428 -12.323 1.00 7.65 H new ATOM 0 HG22 THR A 9 -3.252 2.463 -11.582 1.00 7.65 H new ATOM 0 HG23 THR A 9 -3.215 0.703 -11.321 1.00 7.65 H new ATOM 161 N GLY A 10 -5.257 1.145 -7.122 1.00 5.95 N ATOM 162 CA GLY A 10 -6.145 1.275 -5.977 1.00 6.60 C ATOM 163 C GLY A 10 -7.446 0.518 -6.167 1.00 6.46 C ATOM 164 O GLY A 10 -8.326 0.554 -5.307 1.00 7.08 O ATOM 0 H GLY A 10 -5.031 0.183 -7.376 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.640 0.906 -5.085 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -6.363 2.329 -5.807 1.00 6.60 H new ATOM 168 N LYS A 11 -7.558 -0.172 -7.299 1.00 5.81 N ATOM 169 CA LYS A 11 -8.761 -0.936 -7.621 1.00 5.70 C ATOM 170 C LYS A 11 -8.588 -2.426 -7.335 1.00 5.01 C ATOM 171 O LYS A 11 -7.658 -3.063 -7.833 1.00 4.26 O ATOM 172 CB LYS A 11 -9.126 -0.735 -9.094 1.00 5.63 C ATOM 173 CG LYS A 11 -9.442 0.711 -9.457 1.00 5.81 C ATOM 174 CD LYS A 11 -9.611 0.892 -10.959 1.00 6.13 C ATOM 175 CE LYS A 11 -10.782 0.085 -11.499 1.00 6.58 C ATOM 176 NZ LYS A 11 -10.987 0.314 -12.956 1.00 6.35 N ATOM 0 H LYS A 11 -6.829 -0.218 -8.011 1.00 5.81 H new ATOM 0 HA LYS A 11 -9.564 -0.566 -6.983 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.300 -1.083 -9.714 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -9.989 -1.357 -9.333 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -10.354 1.023 -8.948 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -8.641 1.359 -9.101 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -9.764 1.948 -11.183 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -8.696 0.588 -11.467 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -10.606 -0.976 -11.319 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -11.689 0.354 -10.958 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -11.794 -0.253 -13.286 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -11.180 1.322 -13.125 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -10.131 0.034 -13.475 1.00 6.35 H new ATOM 190 N THR A 12 -9.495 -2.969 -6.524 1.00 5.57 N ATOM 191 CA THR A 12 -9.482 -4.386 -6.184 1.00 5.50 C ATOM 192 C THR A 12 -10.534 -5.114 -7.012 1.00 5.42 C ATOM 193 O THR A 12 -11.666 -4.641 -7.133 1.00 6.02 O ATOM 194 CB THR A 12 -9.759 -4.616 -4.684 1.00 6.58 C ATOM 195 OG1 THR A 12 -8.848 -3.842 -3.895 1.00 6.95 O ATOM 196 CG2 THR A 12 -9.618 -6.089 -4.322 1.00 6.85 C ATOM 0 H THR A 12 -10.252 -2.442 -6.089 1.00 5.57 H new ATOM 0 HA THR A 12 -8.489 -4.777 -6.405 1.00 5.50 H new ATOM 0 HB THR A 12 -10.782 -4.303 -4.477 1.00 6.58 H new ATOM 0 HG1 THR A 12 -9.031 -3.991 -2.944 1.00 6.95 H new ATOM 0 HG21 THR A 12 -9.818 -6.223 -3.259 1.00 6.85 H new ATOM 0 HG22 THR A 12 -10.330 -6.676 -4.902 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.605 -6.423 -4.545 1.00 6.85 H new ATOM 204 N ILE A 13 -10.166 -6.258 -7.584 1.00 4.88 N ATOM 205 CA ILE A 13 -11.092 -7.021 -8.415 1.00 5.00 C ATOM 206 C ILE A 13 -11.332 -8.418 -7.852 1.00 5.65 C ATOM 207 O ILE A 13 -10.425 -9.048 -7.308 1.00 5.97 O ATOM 208 CB ILE A 13 -10.594 -7.132 -9.872 1.00 4.65 C ATOM 209 CG1 ILE A 13 -9.216 -7.799 -9.924 1.00 4.64 C ATOM 210 CG2 ILE A 13 -10.551 -5.755 -10.522 1.00 4.57 C ATOM 211 CD1 ILE A 13 -8.639 -7.904 -11.320 1.00 5.04 C ATOM 0 H ILE A 13 -9.240 -6.674 -7.488 1.00 4.88 H new ATOM 0 HA ILE A 13 -12.034 -6.473 -8.409 1.00 5.00 H new ATOM 0 HB ILE A 13 -11.293 -7.756 -10.430 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -8.526 -7.234 -9.297 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -9.290 -8.799 -9.496 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -10.198 -5.848 -11.549 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -11.551 -5.320 -10.520 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -9.874 -5.110 -9.963 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -7.663 -8.387 -11.275 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -9.307 -8.495 -11.946 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -8.531 -6.906 -11.745 1.00 5.04 H new ATOM 223 N THR A 14 -12.568 -8.887 -7.993 1.00 6.06 N ATOM 224 CA THR A 14 -12.957 -10.205 -7.505 1.00 6.90 C ATOM 225 C THR A 14 -13.010 -11.216 -8.647 1.00 7.04 C ATOM 226 O THR A 14 -13.502 -10.910 -9.734 1.00 6.70 O ATOM 227 CB THR A 14 -14.331 -10.165 -6.805 1.00 7.48 C ATOM 228 OG1 THR A 14 -15.325 -9.648 -7.699 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.277 -9.306 -5.548 1.00 8.28 C ATOM 0 H THR A 14 -13.322 -8.369 -8.445 1.00 6.06 H new ATOM 0 HA THR A 14 -12.201 -10.512 -6.783 1.00 6.90 H new ATOM 0 HB THR A 14 -14.595 -11.183 -6.519 1.00 7.48 H new ATOM 0 HG1 THR A 14 -16.194 -9.628 -7.246 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.258 -9.294 -5.073 1.00 8.28 H new ATOM 0 HG22 THR A 14 -13.544 -9.720 -4.856 1.00 8.28 H new ATOM 0 HG23 THR A 14 -13.991 -8.289 -5.815 1.00 8.28 H new ATOM 237 N LEU A 15 -12.497 -12.418 -8.394 1.00 7.82 N ATOM 238 CA LEU A 15 -12.484 -13.480 -9.397 1.00 8.34 C ATOM 239 C LEU A 15 -12.861 -14.818 -8.765 1.00 9.47 C ATOM 240 O LEU A 15 -12.786 -14.979 -7.546 1.00 10.02 O ATOM 241 CB LEU A 15 -11.108 -13.591 -10.060 1.00 8.35 C ATOM 242 CG LEU A 15 -10.756 -12.463 -11.036 1.00 8.95 C ATOM 243 CD1 LEU A 15 -10.114 -11.292 -10.303 1.00 8.50 C ATOM 244 CD2 LEU A 15 -9.833 -12.979 -12.131 1.00 9.28 C ATOM 0 H LEU A 15 -12.083 -12.681 -7.500 1.00 7.82 H new ATOM 0 HA LEU A 15 -13.219 -13.226 -10.161 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.349 -13.623 -9.279 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -11.056 -14.540 -10.594 1.00 8.35 H new ATOM 0 HG LEU A 15 -11.678 -12.109 -11.497 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -9.873 -10.504 -11.017 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -10.808 -10.906 -9.556 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -9.201 -11.627 -9.811 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -9.592 -12.167 -12.816 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.915 -13.361 -11.683 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -10.330 -13.780 -12.678 1.00 9.28 H new ATOM 256 N GLU A 16 -13.269 -15.771 -9.600 1.00 9.94 N ATOM 257 CA GLU A 16 -13.654 -17.095 -9.120 1.00 11.04 C ATOM 258 C GLU A 16 -12.880 -18.187 -9.861 1.00 11.87 C ATOM 259 O GLU A 16 -13.194 -18.513 -11.006 1.00 12.00 O ATOM 260 CB GLU A 16 -15.162 -17.308 -9.290 1.00 11.14 C ATOM 261 CG GLU A 16 -15.695 -18.536 -8.563 1.00 10.90 C ATOM 262 CD GLU A 16 -15.092 -19.834 -9.069 1.00 11.52 C ATOM 263 OE1 GLU A 16 -15.511 -20.305 -10.147 1.00 11.47 O ATOM 264 OE2 GLU A 16 -14.197 -20.380 -8.388 1.00 12.19 O ATOM 0 H GLU A 16 -13.341 -15.651 -10.610 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.408 -17.157 -8.060 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.688 -16.425 -8.926 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -15.389 -17.399 -10.352 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -15.490 -18.438 -7.497 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -16.778 -18.577 -8.676 1.00 10.90 H new ATOM 271 N VAL A 17 -11.868 -18.750 -9.196 1.00 12.56 N ATOM 272 CA VAL A 17 -11.049 -19.808 -9.788 1.00 13.49 C ATOM 273 C VAL A 17 -10.489 -20.746 -8.716 1.00 14.65 C ATOM 274 O VAL A 17 -9.674 -20.338 -7.887 1.00 14.73 O ATOM 275 CB VAL A 17 -9.877 -19.226 -10.612 1.00 13.20 C ATOM 276 CG1 VAL A 17 -10.363 -18.725 -11.964 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.178 -18.109 -9.846 1.00 12.71 C ATOM 0 H VAL A 17 -11.597 -18.490 -8.248 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.703 -20.373 -10.452 1.00 13.49 H new ATOM 0 HB VAL A 17 -9.156 -20.025 -10.783 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -9.521 -18.320 -12.526 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -10.807 -19.551 -12.520 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -11.109 -17.945 -11.816 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.357 -17.715 -10.445 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.890 -17.311 -9.636 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -8.786 -18.501 -8.908 1.00 12.71 H new ATOM 287 N GLU A 18 -10.939 -22.004 -8.732 1.00 15.63 N ATOM 288 CA GLU A 18 -10.499 -23.018 -7.768 1.00 16.83 C ATOM 289 C GLU A 18 -8.974 -23.117 -7.641 1.00 17.34 C ATOM 290 O GLU A 18 -8.230 -22.578 -8.460 1.00 16.99 O ATOM 291 CB GLU A 18 -11.071 -24.380 -8.172 1.00 17.72 C ATOM 292 CG GLU A 18 -12.591 -24.415 -8.216 1.00 17.49 C ATOM 293 CD GLU A 18 -13.130 -25.751 -8.690 1.00 17.64 C ATOM 294 OE1 GLU A 18 -13.291 -26.659 -7.846 1.00 16.92 O ATOM 295 OE2 GLU A 18 -13.387 -25.892 -9.904 1.00 18.57 O ATOM 0 H GLU A 18 -11.617 -22.348 -9.412 1.00 15.63 H new ATOM 0 HA GLU A 18 -10.873 -22.712 -6.791 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -10.681 -24.651 -9.153 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -10.719 -25.135 -7.469 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -12.985 -24.200 -7.222 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.950 -23.627 -8.878 1.00 17.49 H new ATOM 302 N PRO A 19 -8.500 -23.823 -6.587 1.00 18.22 N ATOM 303 CA PRO A 19 -7.064 -24.015 -6.318 1.00 18.80 C ATOM 304 C PRO A 19 -6.347 -24.816 -7.406 1.00 19.40 C ATOM 305 O PRO A 19 -5.174 -24.573 -7.693 1.00 19.49 O ATOM 306 CB PRO A 19 -7.041 -24.784 -4.988 1.00 19.89 C ATOM 307 CG PRO A 19 -8.387 -24.566 -4.392 1.00 19.55 C ATOM 308 CD PRO A 19 -9.328 -24.472 -5.556 1.00 18.79 C ATOM 0 HA PRO A 19 -6.540 -23.060 -6.288 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -6.848 -25.845 -5.149 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -6.254 -24.413 -4.331 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -8.661 -25.388 -3.730 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -8.409 -23.655 -3.794 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -9.677 -25.454 -5.875 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.212 -23.882 -5.316 1.00 18.79 H new ATOM 316 N SER A 20 -7.055 -25.769 -8.007 1.00 19.87 N ATOM 317 CA SER A 20 -6.478 -26.613 -9.054 1.00 20.59 C ATOM 318 C SER A 20 -6.056 -25.793 -10.275 1.00 19.81 C ATOM 319 O SER A 20 -5.237 -26.242 -11.079 1.00 20.40 O ATOM 320 CB SER A 20 -7.485 -27.687 -9.474 1.00 21.46 C ATOM 321 OG SER A 20 -7.851 -28.502 -8.374 1.00 21.29 O ATOM 0 H SER A 20 -8.029 -25.977 -7.788 1.00 19.87 H new ATOM 0 HA SER A 20 -5.586 -27.086 -8.644 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.374 -27.213 -9.891 1.00 21.46 H new ATOM 0 HB3 SER A 20 -7.054 -28.306 -10.261 1.00 21.46 H new ATOM 0 HG SER A 20 -8.496 -29.179 -8.668 1.00 21.29 H new ATOM 327 N ASP A 21 -6.616 -24.594 -10.406 1.00 18.56 N ATOM 328 CA ASP A 21 -6.304 -23.715 -11.534 1.00 17.80 C ATOM 329 C ASP A 21 -4.845 -23.262 -11.511 1.00 17.76 C ATOM 330 O ASP A 21 -4.254 -23.089 -10.445 1.00 17.65 O ATOM 331 CB ASP A 21 -7.222 -22.490 -11.518 1.00 16.48 C ATOM 332 CG ASP A 21 -8.679 -22.850 -11.748 1.00 16.21 C ATOM 333 OD1 ASP A 21 -9.303 -23.426 -10.832 1.00 16.77 O ATOM 334 OD2 ASP A 21 -9.197 -22.553 -12.845 1.00 15.53 O ATOM 0 H ASP A 21 -7.289 -24.206 -9.745 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.467 -24.285 -12.449 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -7.124 -21.980 -10.560 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -6.899 -21.788 -12.287 1.00 16.48 H new ATOM 339 N THR A 22 -4.275 -23.071 -12.701 1.00 17.95 N ATOM 340 CA THR A 22 -2.888 -22.626 -12.836 1.00 18.00 C ATOM 341 C THR A 22 -2.809 -21.104 -12.847 1.00 16.68 C ATOM 342 O THR A 22 -3.758 -20.432 -13.247 1.00 15.89 O ATOM 343 CB THR A 22 -2.244 -23.158 -14.131 1.00 18.92 C ATOM 344 OG1 THR A 22 -2.982 -22.700 -15.269 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.189 -24.679 -14.139 1.00 20.15 C ATOM 0 H THR A 22 -4.755 -23.218 -13.589 1.00 17.95 H new ATOM 0 HA THR A 22 -2.345 -23.023 -11.978 1.00 18.00 H new ATOM 0 HB THR A 22 -1.223 -22.778 -14.177 1.00 18.92 H new ATOM 0 HG1 THR A 22 -2.804 -23.288 -16.033 1.00 19.12 H new ATOM 0 HG21 THR A 22 -1.729 -25.022 -15.066 1.00 20.15 H new ATOM 0 HG22 THR A 22 -1.598 -25.026 -13.291 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.200 -25.080 -14.066 1.00 20.15 H new ATOM 353 N ILE A 23 -1.673 -20.567 -12.415 1.00 16.47 N ATOM 354 CA ILE A 23 -1.470 -19.121 -12.382 1.00 15.26 C ATOM 355 C ILE A 23 -1.666 -18.509 -13.765 1.00 15.04 C ATOM 356 O ILE A 23 -2.198 -17.407 -13.895 1.00 14.00 O ATOM 357 CB ILE A 23 -0.061 -18.765 -11.862 1.00 15.26 C ATOM 358 CG1 ILE A 23 0.130 -19.285 -10.431 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.174 -17.262 -11.923 1.00 14.03 C ATOM 360 CD1 ILE A 23 -0.838 -18.691 -9.430 1.00 14.76 C ATOM 0 H ILE A 23 -0.877 -21.111 -12.082 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.213 -18.709 -11.700 1.00 15.26 H new ATOM 0 HB ILE A 23 0.674 -19.249 -12.506 1.00 15.26 H new ATOM 0 HG12 ILE A 23 0.018 -20.369 -10.431 1.00 15.58 H new ATOM 0 HG13 ILE A 23 1.149 -19.069 -10.109 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.173 -17.035 -11.552 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.084 -16.921 -12.954 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.567 -16.753 -11.307 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -0.641 -19.107 -8.442 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -0.712 -17.609 -9.400 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -1.860 -18.929 -9.726 1.00 14.76 H new ATOM 372 N GLU A 24 -1.236 -19.233 -14.796 1.00 16.12 N ATOM 373 CA GLU A 24 -1.372 -18.762 -16.168 1.00 16.23 C ATOM 374 C GLU A 24 -2.845 -18.667 -16.547 1.00 15.75 C ATOM 375 O GLU A 24 -3.287 -17.671 -17.121 1.00 15.19 O ATOM 376 CB GLU A 24 -0.643 -19.699 -17.134 1.00 17.64 C ATOM 377 CG GLU A 24 -0.599 -19.187 -18.566 1.00 17.99 C ATOM 378 CD GLU A 24 0.040 -17.815 -18.676 1.00 19.37 C ATOM 379 OE1 GLU A 24 -0.684 -16.807 -18.520 1.00 19.87 O ATOM 380 OE2 GLU A 24 1.264 -17.746 -18.915 1.00 19.99 O ATOM 0 H GLU A 24 -0.791 -20.147 -14.705 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.922 -17.772 -16.238 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.377 -19.850 -16.780 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -1.132 -20.673 -17.121 1.00 17.64 H new ATOM 0 HG2 GLU A 24 -0.044 -19.893 -19.183 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -1.613 -19.144 -18.964 1.00 17.99 H new ATOM 387 N ASN A 25 -3.598 -19.717 -16.221 1.00 16.04 N ATOM 388 CA ASN A 25 -5.026 -19.756 -16.510 1.00 15.65 C ATOM 389 C ASN A 25 -5.735 -18.589 -15.832 1.00 14.26 C ATOM 390 O ASN A 25 -6.598 -17.943 -16.425 1.00 13.66 O ATOM 391 CB ASN A 25 -5.634 -21.083 -16.048 1.00 16.38 C ATOM 392 CG ASN A 25 -5.286 -22.241 -16.967 1.00 16.31 C ATOM 393 OD1 ASN A 25 -4.134 -22.158 -17.625 1.00 16.31 O flip ATOM 394 ND2 ASN A 25 -6.045 -23.203 -17.084 1.00 16.35 N flip ATOM 0 H ASN A 25 -3.240 -20.551 -15.756 1.00 16.04 H new ATOM 0 HA ASN A 25 -5.160 -19.671 -17.588 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -5.284 -21.307 -15.040 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -6.718 -20.981 -15.993 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -6.920 -23.228 -16.561 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -5.798 -23.975 -17.704 1.00 16.35 H new ATOM 401 N VAL A 26 -5.361 -18.328 -14.581 1.00 13.80 N ATOM 402 CA VAL A 26 -5.947 -17.231 -13.822 1.00 12.52 C ATOM 403 C VAL A 26 -5.649 -15.895 -14.496 1.00 11.74 C ATOM 404 O VAL A 26 -6.517 -15.028 -14.580 1.00 10.85 O ATOM 405 CB VAL A 26 -5.425 -17.201 -12.369 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.941 -15.970 -11.634 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.824 -18.471 -11.630 1.00 13.28 C ATOM 0 H VAL A 26 -4.655 -18.862 -14.074 1.00 13.80 H new ATOM 0 HA VAL A 26 -7.024 -17.395 -13.797 1.00 12.52 H new ATOM 0 HB VAL A 26 -4.337 -17.148 -12.400 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -5.561 -15.970 -10.613 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.601 -15.071 -12.148 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -7.031 -15.988 -11.615 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -5.447 -18.431 -10.608 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.911 -18.556 -11.613 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -5.400 -19.337 -12.139 1.00 13.28 H new ATOM 417 N LYS A 27 -4.416 -15.739 -14.978 1.00 12.21 N ATOM 418 CA LYS A 27 -4.011 -14.512 -15.656 1.00 11.77 C ATOM 419 C LYS A 27 -4.835 -14.301 -16.920 1.00 11.96 C ATOM 420 O LYS A 27 -5.052 -13.167 -17.347 1.00 11.29 O ATOM 421 CB LYS A 27 -2.520 -14.548 -15.995 1.00 12.57 C ATOM 422 CG LYS A 27 -1.615 -14.312 -14.795 1.00 12.29 C ATOM 423 CD LYS A 27 -0.146 -14.333 -15.189 1.00 13.09 C ATOM 424 CE LYS A 27 0.755 -14.027 -14.002 1.00 12.80 C ATOM 425 NZ LYS A 27 2.196 -14.053 -14.378 1.00 13.67 N ATOM 0 H LYS A 27 -3.684 -16.446 -14.911 1.00 12.21 H new ATOM 0 HA LYS A 27 -4.191 -13.676 -14.980 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -2.280 -15.516 -16.436 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -2.310 -13.792 -16.752 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.857 -13.352 -14.340 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.801 -15.078 -14.042 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.108 -15.311 -15.597 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.030 -13.603 -15.979 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.503 -13.047 -13.598 1.00 12.80 H new ATOM 0 HE3 LYS A 27 0.573 -14.754 -13.211 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 2.755 -14.427 -13.585 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 2.326 -14.661 -15.211 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 2.514 -13.088 -14.601 1.00 13.67 H new ATOM 439 N ALA A 28 -5.289 -15.403 -17.517 1.00 12.96 N ATOM 440 CA ALA A 28 -6.108 -15.337 -18.721 1.00 13.31 C ATOM 441 C ALA A 28 -7.496 -14.816 -18.374 1.00 12.36 C ATOM 442 O ALA A 28 -8.105 -14.076 -19.147 1.00 12.18 O ATOM 443 CB ALA A 28 -6.196 -16.706 -19.384 1.00 14.55 C ATOM 0 H ALA A 28 -5.102 -16.349 -17.185 1.00 12.96 H new ATOM 0 HA ALA A 28 -5.643 -14.650 -19.428 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.811 -16.637 -20.281 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -5.196 -17.044 -19.655 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.644 -17.418 -18.691 1.00 14.55 H new ATOM 449 N LYS A 29 -7.988 -15.211 -17.199 1.00 11.88 N ATOM 450 CA LYS A 29 -9.294 -14.768 -16.729 1.00 11.02 C ATOM 451 C LYS A 29 -9.247 -13.275 -16.431 1.00 9.90 C ATOM 452 O LYS A 29 -10.139 -12.521 -16.826 1.00 9.41 O ATOM 453 CB LYS A 29 -9.714 -15.550 -15.479 1.00 10.98 C ATOM 454 CG LYS A 29 -11.073 -15.141 -14.924 1.00 12.12 C ATOM 455 CD LYS A 29 -12.166 -15.239 -15.979 1.00 12.25 C ATOM 456 CE LYS A 29 -13.544 -15.015 -15.377 1.00 13.42 C ATOM 457 NZ LYS A 29 -14.609 -15.012 -16.418 1.00 13.70 N ATOM 0 H LYS A 29 -7.499 -15.836 -16.558 1.00 11.88 H new ATOM 0 HA LYS A 29 -10.033 -14.956 -17.508 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -9.735 -16.613 -15.717 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -8.959 -15.411 -14.705 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -11.327 -15.779 -14.077 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -11.020 -14.119 -14.549 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -11.985 -14.502 -16.761 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -12.130 -16.220 -16.452 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -13.753 -15.796 -14.646 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -13.557 -14.066 -14.841 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -15.534 -14.857 -15.968 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -14.424 -14.250 -17.102 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -14.614 -15.927 -16.912 1.00 13.70 H new ATOM 471 N ILE A 30 -8.196 -12.855 -15.728 1.00 9.57 N ATOM 472 CA ILE A 30 -8.007 -11.450 -15.396 1.00 8.57 C ATOM 473 C ILE A 30 -7.871 -10.624 -16.670 1.00 8.97 C ATOM 474 O ILE A 30 -8.365 -9.505 -16.751 1.00 8.49 O ATOM 475 CB ILE A 30 -6.753 -11.231 -14.519 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.865 -12.021 -13.212 1.00 8.10 C ATOM 477 CG2 ILE A 30 -6.562 -9.746 -14.229 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.580 -12.058 -12.412 1.00 8.06 C ATOM 0 H ILE A 30 -7.463 -13.472 -15.378 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.883 -11.130 -14.832 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.882 -11.594 -15.065 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.652 -11.582 -12.599 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -7.170 -13.042 -13.440 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -5.675 -9.607 -13.611 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -6.438 -9.205 -15.167 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -7.436 -9.363 -13.702 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.736 -12.635 -11.500 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.794 -12.524 -13.007 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -5.284 -11.042 -12.152 1.00 8.06 H new ATOM 490 N GLN A 31 -7.177 -11.184 -17.656 1.00 10.07 N ATOM 491 CA GLN A 31 -6.984 -10.516 -18.938 1.00 10.78 C ATOM 492 C GLN A 31 -8.309 -10.389 -19.685 1.00 10.96 C ATOM 493 O GLN A 31 -8.530 -9.427 -20.417 1.00 11.22 O ATOM 494 CB GLN A 31 -5.967 -11.293 -19.785 1.00 12.02 C ATOM 495 CG GLN A 31 -5.641 -10.639 -21.122 1.00 12.96 C ATOM 496 CD GLN A 31 -6.779 -10.733 -22.122 1.00 14.24 C ATOM 497 OE1 GLN A 31 -7.541 -11.700 -22.129 1.00 14.59 O ATOM 498 NE2 GLN A 31 -6.902 -9.720 -22.971 1.00 15.04 N ATOM 0 H GLN A 31 -6.738 -12.102 -17.591 1.00 10.07 H new ATOM 0 HA GLN A 31 -6.599 -9.513 -18.753 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -5.046 -11.406 -19.214 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -6.353 -12.296 -19.968 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -5.396 -9.590 -20.957 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -4.754 -11.111 -21.544 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -6.248 -8.938 -22.930 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -7.650 -9.723 -23.664 1.00 15.04 H new ATOM 507 N ASP A 32 -9.189 -11.365 -19.490 1.00 10.94 N ATOM 508 CA ASP A 32 -10.492 -11.366 -20.147 1.00 11.14 C ATOM 509 C ASP A 32 -11.379 -10.239 -19.619 1.00 10.25 C ATOM 510 O ASP A 32 -12.115 -9.612 -20.380 1.00 10.60 O ATOM 511 CB ASP A 32 -11.186 -12.716 -19.945 1.00 11.35 C ATOM 512 CG ASP A 32 -12.571 -12.755 -20.564 1.00 11.58 C ATOM 513 OD1 ASP A 32 -12.672 -13.049 -21.774 1.00 10.94 O ATOM 514 OD2 ASP A 32 -13.553 -12.489 -19.840 1.00 12.47 O ATOM 0 H ASP A 32 -9.024 -12.167 -18.882 1.00 10.94 H new ATOM 0 HA ASP A 32 -10.330 -11.201 -21.212 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -10.574 -13.505 -20.382 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -11.262 -12.926 -18.878 1.00 11.35 H new ATOM 519 N LYS A 33 -11.302 -9.989 -18.313 1.00 9.23 N ATOM 520 CA LYS A 33 -12.112 -8.949 -17.681 1.00 8.49 C ATOM 521 C LYS A 33 -11.416 -7.582 -17.694 1.00 8.32 C ATOM 522 O LYS A 33 -12.004 -6.585 -18.113 1.00 8.52 O ATOM 523 CB LYS A 33 -12.442 -9.347 -16.240 1.00 7.63 C ATOM 524 CG LYS A 33 -13.432 -8.413 -15.557 1.00 7.20 C ATOM 525 CD LYS A 33 -14.813 -8.497 -16.193 1.00 6.55 C ATOM 526 CE LYS A 33 -15.786 -7.523 -15.545 1.00 6.99 C ATOM 527 NZ LYS A 33 -15.388 -6.106 -15.773 1.00 6.67 N ATOM 0 H LYS A 33 -10.688 -10.492 -17.672 1.00 9.23 H new ATOM 0 HA LYS A 33 -13.030 -8.856 -18.261 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -12.849 -10.358 -16.236 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -11.520 -9.372 -15.659 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -13.502 -8.667 -14.499 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -13.066 -7.388 -15.615 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -14.737 -8.282 -17.259 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -15.197 -9.513 -16.099 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -16.786 -7.688 -15.946 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -15.836 -7.718 -14.474 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -16.176 -5.478 -15.514 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -14.558 -5.880 -15.188 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -15.151 -5.969 -16.776 1.00 6.67 H new ATOM 541 N GLU A 34 -10.167 -7.542 -17.232 1.00 8.14 N ATOM 542 CA GLU A 34 -9.403 -6.292 -17.151 1.00 8.06 C ATOM 543 C GLU A 34 -8.624 -5.967 -18.433 1.00 9.21 C ATOM 544 O GLU A 34 -8.110 -4.856 -18.575 1.00 9.60 O ATOM 545 CB GLU A 34 -8.431 -6.355 -15.971 1.00 7.25 C ATOM 546 CG GLU A 34 -9.105 -6.633 -14.637 1.00 6.20 C ATOM 547 CD GLU A 34 -10.149 -5.591 -14.280 1.00 6.09 C ATOM 548 OE1 GLU A 34 -9.771 -4.530 -13.740 1.00 6.20 O ATOM 549 OE2 GLU A 34 -11.345 -5.837 -14.543 1.00 6.14 O ATOM 0 H GLU A 34 -9.658 -8.364 -16.906 1.00 8.14 H new ATOM 0 HA GLU A 34 -10.132 -5.494 -17.011 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -7.691 -7.132 -16.163 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -7.892 -5.410 -15.905 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -9.575 -7.616 -14.670 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.349 -6.667 -13.853 1.00 6.20 H new ATOM 556 N GLY A 35 -8.537 -6.916 -19.360 1.00 9.92 N ATOM 557 CA GLY A 35 -7.813 -6.673 -20.605 1.00 11.11 C ATOM 558 C GLY A 35 -6.297 -6.796 -20.484 1.00 11.26 C ATOM 559 O GLY A 35 -5.641 -7.284 -21.405 1.00 12.20 O ATOM 0 H GLY A 35 -8.950 -7.845 -19.277 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -8.164 -7.377 -21.359 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -8.057 -5.673 -20.964 1.00 11.11 H new ATOM 563 N ILE A 36 -5.741 -6.350 -19.357 1.00 10.40 N ATOM 564 CA ILE A 36 -4.291 -6.396 -19.129 1.00 10.49 C ATOM 565 C ILE A 36 -3.687 -7.753 -19.518 1.00 11.27 C ATOM 566 O ILE A 36 -4.123 -8.796 -19.034 1.00 11.07 O ATOM 567 CB ILE A 36 -3.950 -6.091 -17.654 1.00 9.23 C ATOM 568 CG1 ILE A 36 -4.783 -6.969 -16.714 1.00 8.55 C ATOM 569 CG2 ILE A 36 -4.179 -4.613 -17.357 1.00 9.38 C ATOM 570 CD1 ILE A 36 -4.603 -6.633 -15.249 1.00 7.28 C ATOM 0 H ILE A 36 -6.273 -5.951 -18.583 1.00 10.40 H new ATOM 0 HA ILE A 36 -3.854 -5.629 -19.769 1.00 10.49 H new ATOM 0 HB ILE A 36 -2.898 -6.320 -17.485 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -5.837 -6.867 -16.974 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -4.515 -8.013 -16.874 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -3.935 -4.409 -16.314 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -3.542 -4.009 -18.003 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -5.224 -4.363 -17.541 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -5.223 -7.295 -14.645 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -3.557 -6.763 -14.972 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -4.899 -5.599 -15.074 1.00 7.28 H new ATOM 582 N PRO A 37 -2.670 -7.749 -20.412 1.00 12.32 N ATOM 583 CA PRO A 37 -2.001 -8.978 -20.870 1.00 13.26 C ATOM 584 C PRO A 37 -1.274 -9.716 -19.742 1.00 12.81 C ATOM 585 O PRO A 37 -0.713 -9.087 -18.845 1.00 12.09 O ATOM 586 CB PRO A 37 -0.984 -8.484 -21.909 1.00 14.23 C ATOM 587 CG PRO A 37 -1.432 -7.111 -22.277 1.00 14.14 C ATOM 588 CD PRO A 37 -2.104 -6.552 -21.057 1.00 12.79 C ATOM 0 HA PRO A 37 -2.724 -9.693 -21.263 1.00 13.26 H new ATOM 0 HB2 PRO A 37 0.025 -8.471 -21.496 1.00 14.23 H new ATOM 0 HB3 PRO A 37 -0.963 -9.138 -22.781 1.00 14.23 H new ATOM 0 HG2 PRO A 37 -0.586 -6.491 -22.574 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -2.119 -7.139 -23.122 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -1.396 -6.039 -20.406 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -2.878 -5.830 -21.318 1.00 12.79 H new ATOM 596 N PRO A 38 -1.270 -11.065 -19.781 1.00 13.33 N ATOM 597 CA PRO A 38 -0.604 -11.891 -18.761 1.00 13.21 C ATOM 598 C PRO A 38 0.902 -11.643 -18.697 1.00 13.55 C ATOM 599 O PRO A 38 1.522 -11.808 -17.646 1.00 13.14 O ATOM 600 CB PRO A 38 -0.877 -13.331 -19.216 1.00 14.22 C ATOM 601 CG PRO A 38 -2.036 -13.234 -20.147 1.00 14.34 C ATOM 602 CD PRO A 38 -1.915 -11.895 -20.814 1.00 14.21 C ATOM 0 HA PRO A 38 -0.978 -11.665 -17.763 1.00 13.21 H new ATOM 0 HB2 PRO A 38 -0.007 -13.758 -19.714 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -1.107 -13.975 -18.367 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -2.016 -14.040 -20.881 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -2.979 -13.318 -19.607 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -1.313 -11.949 -21.721 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -2.889 -11.498 -21.101 1.00 14.21 H new ATOM 610 N ASP A 39 1.480 -11.245 -19.828 1.00 14.37 N ATOM 611 CA ASP A 39 2.915 -10.986 -19.912 1.00 14.81 C ATOM 612 C ASP A 39 3.318 -9.798 -19.040 1.00 13.75 C ATOM 613 O ASP A 39 4.454 -9.720 -18.571 1.00 13.74 O ATOM 614 CB ASP A 39 3.319 -10.725 -21.366 1.00 15.96 C ATOM 615 CG ASP A 39 4.803 -10.451 -21.517 1.00 16.45 C ATOM 616 OD1 ASP A 39 5.202 -9.269 -21.423 1.00 16.42 O ATOM 617 OD2 ASP A 39 5.568 -11.416 -21.727 1.00 16.96 O ATOM 0 H ASP A 39 0.975 -11.095 -20.701 1.00 14.37 H new ATOM 0 HA ASP A 39 3.436 -11.870 -19.544 1.00 14.81 H new ATOM 0 HB2 ASP A 39 3.048 -11.587 -21.975 1.00 15.96 H new ATOM 0 HB3 ASP A 39 2.755 -9.875 -21.749 1.00 15.96 H new ATOM 622 N GLN A 40 2.380 -8.878 -18.826 1.00 12.90 N ATOM 623 CA GLN A 40 2.640 -7.690 -18.015 1.00 11.90 C ATOM 624 C GLN A 40 2.082 -7.855 -16.602 1.00 10.64 C ATOM 625 O GLN A 40 2.355 -7.039 -15.721 1.00 9.67 O ATOM 626 CB GLN A 40 2.021 -6.457 -18.684 1.00 11.91 C ATOM 627 CG GLN A 40 2.477 -5.133 -18.084 1.00 13.23 C ATOM 628 CD GLN A 40 3.977 -4.929 -18.192 1.00 13.45 C ATOM 629 OE1 GLN A 40 4.730 -5.287 -17.286 1.00 14.45 O ATOM 630 NE2 GLN A 40 4.416 -4.353 -19.304 1.00 12.63 N ATOM 0 H GLN A 40 1.434 -8.932 -19.202 1.00 12.90 H new ATOM 0 HA GLN A 40 3.719 -7.557 -17.939 1.00 11.90 H new ATOM 0 HB2 GLN A 40 2.270 -6.468 -19.745 1.00 11.91 H new ATOM 0 HB3 GLN A 40 0.935 -6.523 -18.611 1.00 11.91 H new ATOM 0 HG2 GLN A 40 1.965 -4.314 -18.589 1.00 13.23 H new ATOM 0 HG3 GLN A 40 2.183 -5.093 -17.035 1.00 13.23 H new ATOM 0 HE21 GLN A 40 3.755 -4.073 -20.028 1.00 12.63 H new ATOM 0 HE22 GLN A 40 5.415 -4.191 -19.434 1.00 12.63 H new ATOM 639 N GLN A 41 1.309 -8.916 -16.390 1.00 10.76 N ATOM 640 CA GLN A 41 0.707 -9.178 -15.085 1.00 9.79 C ATOM 641 C GLN A 41 1.661 -9.918 -14.150 1.00 9.92 C ATOM 642 O GLN A 41 2.122 -11.019 -14.454 1.00 10.91 O ATOM 643 CB GLN A 41 -0.579 -9.992 -15.250 1.00 9.99 C ATOM 644 CG GLN A 41 -1.751 -9.186 -15.786 1.00 9.70 C ATOM 645 CD GLN A 41 -3.002 -10.025 -15.955 1.00 9.80 C ATOM 646 OE1 GLN A 41 -3.804 -10.155 -15.032 1.00 9.65 O ATOM 647 NE2 GLN A 41 -3.174 -10.603 -17.139 1.00 10.21 N ATOM 0 H GLN A 41 1.084 -9.609 -17.104 1.00 10.76 H new ATOM 0 HA GLN A 41 0.480 -8.211 -14.636 1.00 9.79 H new ATOM 0 HB2 GLN A 41 -0.386 -10.827 -15.924 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.854 -10.418 -14.285 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.960 -8.359 -15.107 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -1.478 -8.748 -16.746 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -2.483 -10.468 -17.877 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.997 -11.181 -17.310 1.00 10.21 H new ATOM 656 N ARG A 42 1.948 -9.293 -13.010 1.00 9.04 N ATOM 657 CA ARG A 42 2.816 -9.881 -11.995 1.00 9.21 C ATOM 658 C ARG A 42 2.022 -10.069 -10.708 1.00 8.55 C ATOM 659 O ARG A 42 1.572 -9.100 -10.105 1.00 7.55 O ATOM 660 CB ARG A 42 4.039 -8.993 -11.746 1.00 8.92 C ATOM 661 CG ARG A 42 5.013 -8.955 -12.913 1.00 9.32 C ATOM 662 CD ARG A 42 6.286 -8.201 -12.556 1.00 8.97 C ATOM 663 NE ARG A 42 6.046 -6.773 -12.362 1.00 9.07 N ATOM 664 CZ ARG A 42 6.931 -5.941 -11.818 1.00 8.61 C ATOM 665 NH1 ARG A 42 8.104 -6.395 -11.392 1.00 8.06 N ATOM 666 NH2 ARG A 42 6.644 -4.653 -11.698 1.00 8.89 N ATOM 0 H ARG A 42 1.588 -8.371 -12.766 1.00 9.04 H new ATOM 0 HA ARG A 42 3.174 -10.849 -12.346 1.00 9.21 H new ATOM 0 HB2 ARG A 42 3.703 -7.979 -11.531 1.00 8.92 H new ATOM 0 HB3 ARG A 42 4.562 -9.350 -10.859 1.00 8.92 H new ATOM 0 HG2 ARG A 42 5.264 -9.973 -13.212 1.00 9.32 H new ATOM 0 HG3 ARG A 42 4.536 -8.480 -13.770 1.00 9.32 H new ATOM 0 HD2 ARG A 42 6.713 -8.623 -11.646 1.00 8.97 H new ATOM 0 HD3 ARG A 42 7.022 -8.340 -13.348 1.00 8.97 H new ATOM 0 HE ARG A 42 5.148 -6.392 -12.661 1.00 9.07 H new ATOM 0 HH11 ARG A 42 8.330 -7.386 -11.481 1.00 8.06 H new ATOM 0 HH12 ARG A 42 8.779 -5.753 -10.976 1.00 8.06 H new ATOM 0 HH21 ARG A 42 5.744 -4.299 -12.023 1.00 8.89 H new ATOM 0 HH22 ARG A 42 7.323 -4.016 -11.281 1.00 8.89 H new ATOM 680 N LEU A 43 1.862 -11.314 -10.281 1.00 9.27 N ATOM 681 CA LEU A 43 1.080 -11.607 -9.084 1.00 9.04 C ATOM 682 C LEU A 43 1.964 -11.998 -7.908 1.00 9.51 C ATOM 683 O LEU A 43 2.742 -12.949 -7.989 1.00 10.56 O ATOM 684 CB LEU A 43 0.072 -12.724 -9.370 1.00 9.79 C ATOM 685 CG LEU A 43 -1.051 -12.357 -10.346 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.822 -13.599 -10.766 1.00 10.24 C ATOM 687 CD2 LEU A 43 -1.991 -11.334 -9.720 1.00 8.15 C ATOM 0 H LEU A 43 2.259 -12.133 -10.741 1.00 9.27 H new ATOM 0 HA LEU A 43 0.548 -10.695 -8.812 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.611 -13.584 -9.768 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.376 -13.037 -8.427 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.601 -11.914 -11.234 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.615 -13.318 -11.459 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -1.145 -14.300 -11.254 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -2.259 -14.071 -9.886 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.782 -11.086 -10.428 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.432 -11.751 -8.815 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.432 -10.432 -9.469 1.00 8.15 H new ATOM 699 N ILE A 44 1.834 -11.249 -6.816 1.00 8.83 N ATOM 700 CA ILE A 44 2.597 -11.523 -5.607 1.00 9.35 C ATOM 701 C ILE A 44 1.677 -12.026 -4.499 1.00 9.75 C ATOM 702 O ILE A 44 0.655 -11.411 -4.192 1.00 9.11 O ATOM 703 CB ILE A 44 3.399 -10.293 -5.123 1.00 8.53 C ATOM 704 CG1 ILE A 44 2.475 -9.130 -4.763 1.00 8.20 C ATOM 705 CG2 ILE A 44 4.398 -9.867 -6.191 1.00 9.24 C ATOM 706 CD1 ILE A 44 3.207 -7.930 -4.196 1.00 9.33 C ATOM 0 H ILE A 44 1.207 -10.448 -6.746 1.00 8.83 H new ATOM 0 HA ILE A 44 3.320 -12.300 -5.855 1.00 9.35 H new ATOM 0 HB ILE A 44 3.941 -10.577 -4.221 1.00 8.53 H new ATOM 0 HG12 ILE A 44 1.926 -8.823 -5.653 1.00 8.20 H new ATOM 0 HG13 ILE A 44 1.738 -9.473 -4.037 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.958 -9.000 -5.840 1.00 9.24 H new ATOM 0 HG22 ILE A 44 5.087 -10.687 -6.392 1.00 9.24 H new ATOM 0 HG23 ILE A 44 3.865 -9.609 -7.106 1.00 9.24 H new ATOM 0 HD11 ILE A 44 2.490 -7.143 -3.963 1.00 9.33 H new ATOM 0 HD12 ILE A 44 3.734 -8.221 -3.287 1.00 9.33 H new ATOM 0 HD13 ILE A 44 3.924 -7.562 -4.929 1.00 9.33 H new ATOM 718 N PHE A 45 2.048 -13.160 -3.920 1.00 10.94 N ATOM 719 CA PHE A 45 1.270 -13.780 -2.854 1.00 11.61 C ATOM 720 C PHE A 45 2.157 -14.114 -1.661 1.00 12.55 C ATOM 721 O PHE A 45 3.118 -14.874 -1.783 1.00 13.34 O ATOM 722 CB PHE A 45 0.586 -15.053 -3.362 1.00 12.32 C ATOM 723 CG PHE A 45 -0.152 -15.808 -2.290 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.398 -15.383 -1.857 1.00 12.72 C ATOM 725 CD2 PHE A 45 0.404 -16.939 -1.713 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.075 -16.073 -0.870 1.00 13.62 C ATOM 727 CE2 PHE A 45 -0.269 -17.632 -0.726 1.00 15.27 C ATOM 728 CZ PHE A 45 -1.511 -17.199 -0.303 1.00 14.88 C ATOM 0 H PHE A 45 2.892 -13.674 -4.174 1.00 10.94 H new ATOM 0 HA PHE A 45 0.508 -13.068 -2.536 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.113 -14.788 -4.155 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.337 -15.707 -3.804 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -1.845 -14.503 -2.296 1.00 12.72 H new ATOM 0 HD2 PHE A 45 1.375 -17.282 -2.039 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.046 -15.732 -0.542 1.00 13.62 H new ATOM 0 HE2 PHE A 45 0.175 -18.512 -0.285 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.039 -17.739 0.469 1.00 14.88 H new ATOM 738 N ALA A 46 1.823 -13.537 -0.511 1.00 12.55 N ATOM 739 CA ALA A 46 2.572 -13.768 0.722 1.00 13.48 C ATOM 740 C ALA A 46 4.030 -13.337 0.602 1.00 13.42 C ATOM 741 O ALA A 46 4.878 -13.768 1.386 1.00 14.38 O ATOM 742 CB ALA A 46 2.480 -15.233 1.126 1.00 14.76 C ATOM 0 H ALA A 46 1.032 -12.901 -0.406 1.00 12.55 H new ATOM 0 HA ALA A 46 2.119 -13.152 1.499 1.00 13.48 H new ATOM 0 HB1 ALA A 46 3.042 -15.393 2.046 1.00 14.76 H new ATOM 0 HB2 ALA A 46 1.436 -15.501 1.287 1.00 14.76 H new ATOM 0 HB3 ALA A 46 2.896 -15.856 0.334 1.00 14.76 H new ATOM 748 N GLY A 47 4.317 -12.483 -0.372 1.00 12.34 N ATOM 749 CA GLY A 47 5.673 -12.006 -0.559 1.00 12.25 C ATOM 750 C GLY A 47 6.460 -12.826 -1.565 1.00 12.73 C ATOM 751 O GLY A 47 7.660 -12.612 -1.742 1.00 12.99 O ATOM 0 H GLY A 47 3.636 -12.113 -1.035 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.644 -10.968 -0.889 1.00 12.25 H new ATOM 0 HA3 GLY A 47 6.193 -12.022 0.399 1.00 12.25 H new ATOM 755 N LYS A 48 5.789 -13.775 -2.215 1.00 12.95 N ATOM 756 CA LYS A 48 6.428 -14.620 -3.221 1.00 13.60 C ATOM 757 C LYS A 48 5.737 -14.459 -4.570 1.00 12.95 C ATOM 758 O LYS A 48 4.522 -14.296 -4.634 1.00 12.25 O ATOM 759 CB LYS A 48 6.396 -16.092 -2.793 1.00 14.88 C ATOM 760 CG LYS A 48 7.258 -16.403 -1.573 1.00 15.77 C ATOM 761 CD LYS A 48 6.557 -16.051 -0.266 1.00 16.95 C ATOM 762 CE LYS A 48 5.340 -16.931 -0.019 1.00 16.96 C ATOM 763 NZ LYS A 48 5.676 -18.380 -0.080 1.00 17.08 N ATOM 0 H LYS A 48 4.801 -13.978 -2.062 1.00 12.95 H new ATOM 0 HA LYS A 48 7.467 -14.305 -3.315 1.00 13.60 H new ATOM 0 HB2 LYS A 48 5.365 -16.375 -2.578 1.00 14.88 H new ATOM 0 HB3 LYS A 48 6.729 -16.710 -3.627 1.00 14.88 H new ATOM 0 HG2 LYS A 48 7.514 -17.463 -1.572 1.00 15.77 H new ATOM 0 HG3 LYS A 48 8.194 -15.849 -1.641 1.00 15.77 H new ATOM 0 HD2 LYS A 48 7.257 -16.160 0.562 1.00 16.95 H new ATOM 0 HD3 LYS A 48 6.250 -15.005 -0.289 1.00 16.95 H new ATOM 0 HE2 LYS A 48 4.917 -16.698 0.958 1.00 16.96 H new ATOM 0 HE3 LYS A 48 4.573 -16.705 -0.760 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 5.110 -18.897 0.623 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 5.466 -18.745 -1.031 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 6.687 -18.511 0.125 1.00 17.08 H new ATOM 777 N GLN A 49 6.513 -14.514 -5.649 1.00 13.28 N ATOM 778 CA GLN A 49 5.954 -14.372 -6.991 1.00 12.91 C ATOM 779 C GLN A 49 5.314 -15.682 -7.437 1.00 13.82 C ATOM 780 O GLN A 49 5.836 -16.762 -7.159 1.00 14.97 O ATOM 781 CB GLN A 49 7.038 -13.937 -7.987 1.00 13.03 C ATOM 782 CG GLN A 49 8.209 -14.907 -8.107 1.00 12.43 C ATOM 783 CD GLN A 49 7.862 -16.183 -8.858 1.00 12.64 C ATOM 784 OE1 GLN A 49 6.962 -16.082 -9.832 1.00 12.65 O flip ATOM 785 NE2 GLN A 49 8.405 -17.251 -8.570 1.00 12.96 N flip ATOM 0 H GLN A 49 7.523 -14.655 -5.622 1.00 13.28 H new ATOM 0 HA GLN A 49 5.186 -13.599 -6.965 1.00 12.91 H new ATOM 0 HB2 GLN A 49 6.583 -13.813 -8.970 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.420 -12.961 -7.687 1.00 13.03 H new ATOM 0 HG2 GLN A 49 9.034 -14.408 -8.615 1.00 12.43 H new ATOM 0 HG3 GLN A 49 8.560 -15.166 -7.108 1.00 12.43 H new ATOM 0 HE21 GLN A 49 9.091 -17.287 -7.816 1.00 12.96 H new ATOM 0 HE22 GLN A 49 8.169 -18.099 -9.086 1.00 12.96 H new ATOM 794 N LEU A 50 4.172 -15.584 -8.112 1.00 13.33 N ATOM 795 CA LEU A 50 3.464 -16.766 -8.590 1.00 14.13 C ATOM 796 C LEU A 50 3.945 -17.155 -9.986 1.00 14.81 C ATOM 797 O LEU A 50 4.071 -16.305 -10.868 1.00 14.27 O ATOM 798 CB LEU A 50 1.955 -16.509 -8.593 1.00 13.38 C ATOM 799 CG LEU A 50 1.355 -16.175 -7.222 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.138 -15.899 -7.336 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.615 -17.307 -6.236 1.00 13.76 C ATOM 0 H LEU A 50 3.718 -14.699 -8.340 1.00 13.33 H new ATOM 0 HA LEU A 50 3.676 -17.595 -7.915 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.742 -15.687 -9.277 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.452 -17.391 -8.989 1.00 13.38 H new ATOM 0 HG LEU A 50 1.840 -15.273 -6.849 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -0.541 -15.665 -6.351 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.302 -15.055 -8.005 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.642 -16.780 -7.734 1.00 12.09 H new ATOM 0 HD21 LEU A 50 1.182 -17.053 -5.268 1.00 13.76 H new ATOM 0 HD22 LEU A 50 1.160 -18.225 -6.608 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.689 -17.454 -6.126 1.00 13.76 H new ATOM 813 N GLU A 51 4.212 -18.445 -10.173 1.00 16.07 N ATOM 814 CA GLU A 51 4.692 -18.956 -11.454 1.00 16.92 C ATOM 815 C GLU A 51 3.533 -19.370 -12.356 1.00 17.12 C ATOM 816 O GLU A 51 2.670 -20.151 -11.954 1.00 17.35 O ATOM 817 CB GLU A 51 5.625 -20.149 -11.227 1.00 18.22 C ATOM 818 CG GLU A 51 6.888 -19.801 -10.454 1.00 19.07 C ATOM 819 CD GLU A 51 7.671 -21.031 -10.033 1.00 20.22 C ATOM 820 OE1 GLU A 51 7.376 -21.580 -8.950 1.00 21.00 O ATOM 821 OE2 GLU A 51 8.576 -21.447 -10.786 1.00 20.40 O ATOM 0 H GLU A 51 4.104 -19.157 -9.451 1.00 16.07 H new ATOM 0 HA GLU A 51 5.240 -18.155 -11.951 1.00 16.92 H new ATOM 0 HB2 GLU A 51 5.082 -20.925 -10.688 1.00 18.22 H new ATOM 0 HB3 GLU A 51 5.905 -20.568 -12.193 1.00 18.22 H new ATOM 0 HG2 GLU A 51 7.523 -19.164 -11.070 1.00 19.07 H new ATOM 0 HG3 GLU A 51 6.621 -19.224 -9.569 1.00 19.07 H new ATOM 828 N ASP A 52 3.531 -18.838 -13.580 1.00 17.11 N ATOM 829 CA ASP A 52 2.488 -19.142 -14.563 1.00 17.32 C ATOM 830 C ASP A 52 2.106 -20.620 -14.530 1.00 18.50 C ATOM 831 O ASP A 52 0.929 -20.961 -14.431 1.00 18.49 O ATOM 832 CB ASP A 52 2.953 -18.745 -15.966 1.00 17.56 C ATOM 833 CG ASP A 52 3.109 -17.244 -16.114 1.00 16.47 C ATOM 834 OD1 ASP A 52 2.106 -16.571 -16.432 1.00 16.20 O ATOM 835 OD2 ASP A 52 4.232 -16.740 -15.906 1.00 15.96 O ATOM 0 H ASP A 52 4.244 -18.191 -13.916 1.00 17.11 H new ATOM 0 HA ASP A 52 1.602 -18.562 -14.304 1.00 17.32 H new ATOM 0 HB2 ASP A 52 3.905 -19.231 -16.183 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.235 -19.108 -16.701 1.00 17.56 H new ATOM 840 N GLY A 53 3.107 -21.496 -14.612 1.00 19.52 N ATOM 841 CA GLY A 53 2.842 -22.924 -14.572 1.00 20.72 C ATOM 842 C GLY A 53 2.111 -23.312 -13.300 1.00 20.81 C ATOM 843 O GLY A 53 0.905 -23.559 -13.324 1.00 21.79 O ATOM 0 H GLY A 53 4.091 -21.243 -14.705 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.246 -23.210 -15.439 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.782 -23.473 -14.636 1.00 20.72 H new ATOM 847 N ARG A 54 2.867 -23.402 -12.202 1.00 19.86 N ATOM 848 CA ARG A 54 2.331 -23.732 -10.873 1.00 20.02 C ATOM 849 C ARG A 54 0.864 -23.340 -10.691 1.00 19.36 C ATOM 850 O ARG A 54 0.375 -22.389 -11.297 1.00 18.53 O ATOM 851 CB ARG A 54 3.175 -23.052 -9.793 1.00 19.57 C ATOM 852 CG ARG A 54 4.638 -23.468 -9.798 1.00 20.34 C ATOM 853 CD ARG A 54 4.804 -24.948 -9.483 1.00 21.73 C ATOM 854 NE ARG A 54 6.209 -25.345 -9.449 1.00 22.50 N ATOM 855 CZ ARG A 54 6.663 -26.413 -8.799 1.00 23.45 C ATOM 856 NH1 ARG A 54 5.829 -27.188 -8.117 1.00 23.75 N ATOM 857 NH2 ARG A 54 7.955 -26.706 -8.828 1.00 24.16 N ATOM 0 H ARG A 54 3.875 -23.247 -12.208 1.00 19.86 H new ATOM 0 HA ARG A 54 2.382 -24.817 -10.780 1.00 20.02 H new ATOM 0 HB2 ARG A 54 3.115 -21.972 -9.926 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.747 -23.278 -8.816 1.00 19.57 H new ATOM 0 HG2 ARG A 54 5.074 -23.252 -10.773 1.00 20.34 H new ATOM 0 HG3 ARG A 54 5.187 -22.876 -9.066 1.00 20.34 H new ATOM 0 HD2 ARG A 54 4.342 -25.168 -8.521 1.00 21.73 H new ATOM 0 HD3 ARG A 54 4.278 -25.540 -10.232 1.00 21.73 H new ATOM 0 HE ARG A 54 6.882 -24.769 -9.954 1.00 22.50 H new ATOM 0 HH11 ARG A 54 4.834 -26.966 -8.089 1.00 23.75 H new ATOM 0 HH12 ARG A 54 6.183 -28.006 -7.621 1.00 23.75 H new ATOM 0 HH21 ARG A 54 8.601 -26.113 -9.349 1.00 24.16 H new ATOM 0 HH22 ARG A 54 8.304 -27.525 -8.330 1.00 24.16 H new ATOM 871 N THR A 55 0.184 -24.077 -9.810 1.00 19.79 N ATOM 872 CA THR A 55 -1.230 -23.844 -9.519 1.00 19.31 C ATOM 873 C THR A 55 -1.414 -23.207 -8.147 1.00 18.56 C ATOM 874 O THR A 55 -0.500 -23.205 -7.324 1.00 18.57 O ATOM 875 CB THR A 55 -2.033 -25.160 -9.559 1.00 20.43 C ATOM 876 OG1 THR A 55 -1.479 -26.100 -8.629 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.033 -25.762 -10.955 1.00 21.11 C ATOM 0 H THR A 55 0.596 -24.847 -9.282 1.00 19.79 H new ATOM 0 HA THR A 55 -1.601 -23.167 -10.288 1.00 19.31 H new ATOM 0 HB THR A 55 -3.063 -24.935 -9.282 1.00 20.43 H new ATOM 0 HG1 THR A 55 -1.995 -26.933 -8.659 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.607 -26.689 -10.952 1.00 21.11 H new ATOM 0 HG22 THR A 55 -2.484 -25.058 -11.655 1.00 21.11 H new ATOM 0 HG23 THR A 55 -1.008 -25.971 -11.261 1.00 21.11 H new ATOM 885 N LEU A 56 -2.602 -22.655 -7.912 1.00 17.96 N ATOM 886 CA LEU A 56 -2.920 -22.024 -6.634 1.00 17.35 C ATOM 887 C LEU A 56 -2.641 -22.970 -5.464 1.00 18.41 C ATOM 888 O LEU A 56 -2.141 -22.547 -4.421 1.00 18.24 O ATOM 889 CB LEU A 56 -4.384 -21.573 -6.613 1.00 16.66 C ATOM 890 CG LEU A 56 -4.662 -20.223 -7.283 1.00 15.55 C ATOM 891 CD1 LEU A 56 -4.288 -20.264 -8.759 1.00 14.99 C ATOM 892 CD2 LEU A 56 -6.125 -19.835 -7.113 1.00 14.57 C ATOM 0 H LEU A 56 -3.362 -22.632 -8.592 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.278 -21.150 -6.522 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -4.989 -22.335 -7.104 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -4.716 -21.521 -5.576 1.00 16.66 H new ATOM 0 HG LEU A 56 -4.045 -19.468 -6.797 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -4.494 -19.295 -9.214 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -3.227 -20.494 -8.859 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -4.875 -21.033 -9.262 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -6.305 -18.874 -7.595 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -6.758 -20.595 -7.571 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -6.360 -19.758 -6.051 1.00 14.57 H new ATOM 904 N SER A 57 -2.956 -24.251 -5.649 1.00 19.54 N ATOM 905 CA SER A 57 -2.740 -25.257 -4.611 1.00 20.67 C ATOM 906 C SER A 57 -1.259 -25.381 -4.256 1.00 21.10 C ATOM 907 O SER A 57 -0.910 -25.729 -3.128 1.00 21.74 O ATOM 908 CB SER A 57 -3.273 -26.616 -5.072 1.00 21.76 C ATOM 909 OG SER A 57 -4.640 -26.534 -5.433 1.00 21.61 O ATOM 0 H SER A 57 -3.362 -24.617 -6.510 1.00 19.54 H new ATOM 0 HA SER A 57 -3.281 -24.936 -3.721 1.00 20.67 H new ATOM 0 HB2 SER A 57 -2.690 -26.969 -5.923 1.00 21.76 H new ATOM 0 HB3 SER A 57 -3.148 -27.348 -4.274 1.00 21.76 H new ATOM 0 HG SER A 57 -4.955 -27.415 -5.725 1.00 21.61 H new ATOM 915 N ASP A 58 -0.396 -25.088 -5.226 1.00 20.79 N ATOM 916 CA ASP A 58 1.049 -25.170 -5.023 1.00 21.19 C ATOM 917 C ASP A 58 1.514 -24.161 -3.975 1.00 20.53 C ATOM 918 O ASP A 58 2.397 -24.455 -3.168 1.00 21.09 O ATOM 919 CB ASP A 58 1.788 -24.927 -6.342 1.00 20.98 C ATOM 920 CG ASP A 58 3.297 -24.973 -6.181 1.00 22.06 C ATOM 921 OD1 ASP A 58 3.857 -26.089 -6.149 1.00 21.87 O ATOM 922 OD2 ASP A 58 3.916 -23.893 -6.087 1.00 23.14 O ATOM 0 H ASP A 58 -0.672 -24.791 -6.162 1.00 20.79 H new ATOM 0 HA ASP A 58 1.280 -26.173 -4.663 1.00 21.19 H new ATOM 0 HB2 ASP A 58 1.481 -25.677 -7.070 1.00 20.98 H new ATOM 0 HB3 ASP A 58 1.498 -23.956 -6.743 1.00 20.98 H new ATOM 927 N TYR A 59 0.914 -22.974 -3.995 1.00 19.37 N ATOM 928 CA TYR A 59 1.269 -21.916 -3.052 1.00 18.69 C ATOM 929 C TYR A 59 0.328 -21.895 -1.846 1.00 18.82 C ATOM 930 O TYR A 59 0.331 -20.940 -1.069 1.00 18.30 O ATOM 931 CB TYR A 59 1.245 -20.556 -3.756 1.00 17.29 C ATOM 932 CG TYR A 59 2.343 -20.385 -4.786 1.00 17.19 C ATOM 933 CD1 TYR A 59 2.229 -20.945 -6.052 1.00 17.22 C ATOM 934 CD2 TYR A 59 3.491 -19.660 -4.490 1.00 17.17 C ATOM 935 CE1 TYR A 59 3.228 -20.790 -6.992 1.00 17.25 C ATOM 936 CE2 TYR A 59 4.494 -19.500 -5.428 1.00 17.26 C ATOM 937 CZ TYR A 59 4.358 -20.067 -6.676 1.00 17.30 C ATOM 938 OH TYR A 59 5.356 -19.912 -7.610 1.00 17.49 O ATOM 0 H TYR A 59 0.179 -22.720 -4.655 1.00 19.37 H new ATOM 0 HA TYR A 59 2.276 -22.121 -2.687 1.00 18.69 H new ATOM 0 HB2 TYR A 59 0.279 -20.426 -4.243 1.00 17.29 H new ATOM 0 HB3 TYR A 59 1.334 -19.768 -3.008 1.00 17.29 H new ATOM 0 HD1 TYR A 59 1.345 -21.511 -6.305 1.00 17.22 H new ATOM 0 HD2 TYR A 59 3.601 -19.215 -3.512 1.00 17.17 H new ATOM 0 HE1 TYR A 59 3.124 -21.234 -7.971 1.00 17.25 H new ATOM 0 HE2 TYR A 59 5.380 -18.933 -5.183 1.00 17.26 H new ATOM 0 HH TYR A 59 5.787 -20.777 -7.775 1.00 17.49 H new ATOM 948 N ASN A 60 -0.473 -22.950 -1.691 1.00 19.61 N ATOM 949 CA ASN A 60 -1.413 -23.049 -0.573 1.00 19.94 C ATOM 950 C ASN A 60 -2.380 -21.863 -0.568 1.00 18.78 C ATOM 951 O ASN A 60 -2.674 -21.288 0.482 1.00 18.73 O ATOM 952 CB ASN A 60 -0.650 -23.121 0.757 1.00 20.73 C ATOM 953 CG ASN A 60 -1.563 -23.352 1.949 1.00 21.53 C ATOM 954 OD1 ASN A 60 -2.664 -24.064 1.729 1.00 21.59 O flip ATOM 955 ND2 ASN A 60 -1.281 -22.897 3.057 1.00 22.24 N flip ATOM 0 H ASN A 60 -0.490 -23.748 -2.326 1.00 19.61 H new ATOM 0 HA ASN A 60 -1.995 -23.962 -0.695 1.00 19.94 H new ATOM 0 HB2 ASN A 60 0.084 -23.925 0.706 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -0.097 -22.193 0.904 1.00 20.73 H new ATOM 0 HD21 ASN A 60 -0.426 -22.356 3.183 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -1.902 -23.061 3.849 1.00 22.24 H new ATOM 962 N ILE A 61 -2.880 -21.509 -1.750 1.00 17.93 N ATOM 963 CA ILE A 61 -3.809 -20.392 -1.892 1.00 16.80 C ATOM 964 C ILE A 61 -5.257 -20.866 -1.816 1.00 17.14 C ATOM 965 O ILE A 61 -5.697 -21.679 -2.632 1.00 17.46 O ATOM 966 CB ILE A 61 -3.589 -19.643 -3.224 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.120 -19.230 -3.362 1.00 15.44 C ATOM 968 CG2 ILE A 61 -4.501 -18.425 -3.307 1.00 14.52 C ATOM 969 CD1 ILE A 61 -1.796 -18.552 -4.676 1.00 14.60 C ATOM 0 H ILE A 61 -2.656 -21.982 -2.626 1.00 17.93 H new ATOM 0 HA ILE A 61 -3.612 -19.709 -1.065 1.00 16.80 H new ATOM 0 HB ILE A 61 -3.839 -20.312 -4.047 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -1.863 -18.557 -2.544 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -1.492 -20.115 -3.256 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.333 -17.908 -4.252 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -5.541 -18.745 -3.248 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.282 -17.749 -2.480 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -0.738 -18.290 -4.699 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.020 -19.230 -5.500 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.396 -17.648 -4.777 1.00 14.60 H new ATOM 981 N GLN A 62 -5.994 -20.355 -0.829 1.00 17.17 N ATOM 982 CA GLN A 62 -7.395 -20.725 -0.641 1.00 17.56 C ATOM 983 C GLN A 62 -8.326 -19.541 -0.898 1.00 16.44 C ATOM 984 O GLN A 62 -7.900 -18.499 -1.396 1.00 15.35 O ATOM 985 CB GLN A 62 -7.606 -21.262 0.778 1.00 18.57 C ATOM 986 CG GLN A 62 -6.588 -22.314 1.191 1.00 19.77 C ATOM 987 CD GLN A 62 -6.522 -23.483 0.225 1.00 20.75 C ATOM 988 OE1 GLN A 62 -7.519 -23.848 -0.400 1.00 21.49 O ATOM 989 NE2 GLN A 62 -5.341 -24.077 0.095 1.00 20.83 N ATOM 0 H GLN A 62 -5.642 -19.683 -0.147 1.00 17.17 H new ATOM 0 HA GLN A 62 -7.638 -21.503 -1.364 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -7.562 -20.431 1.482 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -8.606 -21.689 0.850 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -5.603 -21.852 1.262 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -6.838 -22.684 2.185 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -4.540 -23.743 0.632 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -5.235 -24.867 -0.541 1.00 20.83 H new ATOM 998 N LYS A 63 -9.605 -19.717 -0.563 1.00 16.74 N ATOM 999 CA LYS A 63 -10.608 -18.671 -0.753 1.00 15.83 C ATOM 1000 C LYS A 63 -10.292 -17.433 0.089 1.00 15.40 C ATOM 1001 O LYS A 63 -9.573 -17.514 1.086 1.00 16.08 O ATOM 1002 CB LYS A 63 -11.998 -19.206 -0.394 1.00 16.42 C ATOM 1003 CG LYS A 63 -13.139 -18.293 -0.819 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.481 -18.807 -0.324 1.00 18.15 C ATOM 1005 CE LYS A 63 -15.609 -17.847 -0.669 1.00 19.19 C ATOM 1006 NZ LYS A 63 -16.920 -18.315 -0.142 1.00 18.86 N ATOM 0 H LYS A 63 -9.971 -20.578 -0.157 1.00 16.74 H new ATOM 0 HA LYS A 63 -10.591 -18.377 -1.803 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -12.133 -20.181 -0.861 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.050 -19.359 0.684 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -12.967 -17.290 -0.430 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -13.157 -18.214 -1.906 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -14.684 -19.782 -0.767 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.441 -18.950 0.756 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -15.385 -16.862 -0.260 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -15.672 -17.736 -1.751 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -17.661 -17.632 -0.399 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -17.147 -19.244 -0.552 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -16.869 -18.397 0.894 1.00 18.86 H new ATOM 1020 N GLU A 64 -10.838 -16.291 -0.331 1.00 14.33 N ATOM 1021 CA GLU A 64 -10.641 -15.021 0.370 1.00 13.93 C ATOM 1022 C GLU A 64 -9.164 -14.635 0.440 1.00 13.56 C ATOM 1023 O GLU A 64 -8.738 -13.942 1.365 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.232 -15.090 1.784 1.00 14.98 C ATOM 1025 CG GLU A 64 -12.714 -15.436 1.810 1.00 15.11 C ATOM 1026 CD GLU A 64 -13.547 -14.496 0.958 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -13.728 -14.786 -0.244 1.00 16.92 O ATOM 1028 OE2 GLU A 64 -14.016 -13.469 1.492 1.00 15.76 O ATOM 0 H GLU A 64 -11.426 -16.220 -1.162 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.162 -14.252 -0.200 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -10.684 -15.834 2.362 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.083 -14.130 2.278 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -12.851 -16.458 1.457 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -13.073 -15.403 2.839 1.00 15.11 H new ATOM 1035 N SER A 65 -8.388 -15.075 -0.550 1.00 13.38 N ATOM 1036 CA SER A 65 -6.961 -14.766 -0.599 1.00 13.05 C ATOM 1037 C SER A 65 -6.713 -13.465 -1.359 1.00 11.65 C ATOM 1038 O SER A 65 -7.398 -13.170 -2.338 1.00 10.94 O ATOM 1039 CB SER A 65 -6.187 -15.912 -1.253 1.00 13.61 C ATOM 1040 OG SER A 65 -6.086 -17.024 -0.381 1.00 14.92 O ATOM 0 H SER A 65 -8.723 -15.645 -1.327 1.00 13.38 H new ATOM 0 HA SER A 65 -6.607 -14.641 0.424 1.00 13.05 H new ATOM 0 HB2 SER A 65 -6.686 -16.213 -2.174 1.00 13.61 H new ATOM 0 HB3 SER A 65 -5.189 -15.570 -1.528 1.00 13.61 H new ATOM 0 HG SER A 65 -6.472 -17.815 -0.813 1.00 14.92 H new ATOM 1046 N THR A 66 -5.728 -12.697 -0.903 1.00 11.29 N ATOM 1047 CA THR A 66 -5.389 -11.423 -1.533 1.00 9.99 C ATOM 1048 C THR A 66 -4.185 -11.569 -2.462 1.00 9.57 C ATOM 1049 O THR A 66 -3.187 -12.195 -2.106 1.00 10.12 O ATOM 1050 CB THR A 66 -5.087 -10.338 -0.480 1.00 9.92 C ATOM 1051 OG1 THR A 66 -6.218 -10.166 0.382 1.00 10.85 O ATOM 1052 CG2 THR A 66 -4.745 -9.011 -1.144 1.00 8.71 C ATOM 0 H THR A 66 -5.149 -12.935 -0.098 1.00 11.29 H new ATOM 0 HA THR A 66 -6.257 -11.118 -2.117 1.00 9.99 H new ATOM 0 HB THR A 66 -4.227 -10.663 0.105 1.00 9.92 H new ATOM 0 HG1 THR A 66 -6.019 -9.477 1.049 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.537 -8.264 -0.378 1.00 8.71 H new ATOM 0 HG22 THR A 66 -3.867 -9.137 -1.777 1.00 8.71 H new ATOM 0 HG23 THR A 66 -5.587 -8.681 -1.753 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.293 -10.986 -3.654 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.221 -11.043 -4.646 1.00 8.45 C ATOM 1062 C LEU A 67 -2.919 -9.659 -5.213 1.00 7.19 C ATOM 1063 O LEU A 67 -3.748 -9.067 -5.902 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.611 -11.991 -5.787 1.00 8.71 C ATOM 1065 CG LEU A 67 -3.766 -13.464 -5.394 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.325 -14.272 -6.556 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -2.433 -14.037 -4.940 1.00 10.94 C ATOM 0 H LEU A 67 -5.116 -10.466 -3.958 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.325 -11.415 -4.150 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.551 -11.647 -6.217 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.857 -11.919 -6.570 1.00 8.71 H new ATOM 0 HG LEU A 67 -4.469 -13.525 -4.563 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -4.428 -15.315 -6.258 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -5.301 -13.877 -6.837 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -3.647 -14.203 -7.407 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -2.562 -15.084 -4.665 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -1.709 -13.962 -5.752 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.071 -13.477 -4.078 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.725 -9.146 -4.923 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.327 -7.833 -5.422 1.00 5.99 C ATOM 1081 C HIS A 68 -0.778 -7.945 -6.842 1.00 5.70 C ATOM 1082 O HIS A 68 0.212 -8.633 -7.086 1.00 6.53 O ATOM 1083 CB HIS A 68 -0.292 -7.186 -4.499 1.00 6.18 C ATOM 1084 CG HIS A 68 0.108 -5.805 -4.923 1.00 6.68 C ATOM 1085 ND1 HIS A 68 0.812 -5.547 -6.081 1.00 6.45 N ATOM 1086 CD2 HIS A 68 -0.107 -4.600 -4.340 1.00 7.71 C ATOM 1087 CE1 HIS A 68 1.014 -4.245 -6.192 1.00 7.36 C ATOM 1088 NE2 HIS A 68 0.466 -3.650 -5.150 1.00 8.09 N ATOM 0 H HIS A 68 -1.023 -9.615 -4.351 1.00 7.09 H new ATOM 0 HA HIS A 68 -2.211 -7.196 -5.439 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.695 -7.144 -3.487 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.596 -7.818 -4.463 1.00 6.18 H new ATOM 0 HD2 HIS A 68 -0.631 -4.421 -3.413 1.00 7.71 H new ATOM 0 HE1 HIS A 68 1.538 -3.753 -6.998 1.00 7.36 H new ATOM 0 HE2 HIS A 68 0.468 -2.645 -4.974 1.00 8.09 H new ATOM 1097 N LEU A 69 -1.438 -7.263 -7.774 1.00 4.81 N ATOM 1098 CA LEU A 69 -1.037 -7.278 -9.173 1.00 4.96 C ATOM 1099 C LEU A 69 -0.146 -6.077 -9.495 1.00 4.58 C ATOM 1100 O LEU A 69 -0.549 -4.926 -9.321 1.00 3.90 O ATOM 1101 CB LEU A 69 -2.280 -7.278 -10.069 1.00 4.80 C ATOM 1102 CG LEU A 69 -2.008 -7.347 -11.575 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -1.047 -8.480 -11.900 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -3.313 -7.517 -12.339 1.00 5.42 C ATOM 0 H LEU A 69 -2.259 -6.689 -7.581 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.462 -8.185 -9.362 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -2.906 -8.126 -9.791 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -2.855 -6.376 -9.862 1.00 4.80 H new ATOM 0 HG LEU A 69 -1.543 -6.411 -11.883 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -0.869 -8.509 -12.975 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -0.103 -8.317 -11.380 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -1.479 -9.427 -11.578 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -3.105 -7.565 -13.408 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -3.802 -8.438 -12.023 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -3.968 -6.670 -12.134 1.00 5.42 H new ATOM 1116 N VAL A 70 1.067 -6.362 -9.964 1.00 5.29 N ATOM 1117 CA VAL A 70 2.030 -5.323 -10.312 1.00 5.30 C ATOM 1118 C VAL A 70 2.103 -5.146 -11.829 1.00 6.23 C ATOM 1119 O VAL A 70 2.190 -6.127 -12.570 1.00 7.13 O ATOM 1120 CB VAL A 70 3.439 -5.642 -9.767 1.00 5.71 C ATOM 1121 CG1 VAL A 70 4.328 -4.408 -9.823 1.00 5.73 C ATOM 1122 CG2 VAL A 70 3.358 -6.186 -8.346 1.00 5.32 C ATOM 0 H VAL A 70 1.407 -7.312 -10.112 1.00 5.29 H new ATOM 0 HA VAL A 70 1.684 -4.398 -9.851 1.00 5.30 H new ATOM 0 HB VAL A 70 3.883 -6.411 -10.399 1.00 5.71 H new ATOM 0 HG11 VAL A 70 5.316 -4.654 -9.435 1.00 5.73 H new ATOM 0 HG12 VAL A 70 4.417 -4.071 -10.856 1.00 5.73 H new ATOM 0 HG13 VAL A 70 3.888 -3.615 -9.219 1.00 5.73 H new ATOM 0 HG21 VAL A 70 4.362 -6.404 -7.982 1.00 5.32 H new ATOM 0 HG22 VAL A 70 2.890 -5.444 -7.699 1.00 5.32 H new ATOM 0 HG23 VAL A 70 2.764 -7.100 -8.339 1.00 5.32 H new ATOM 1132 N LEU A 71 2.071 -3.890 -12.285 1.00 6.27 N ATOM 1133 CA LEU A 71 2.120 -3.586 -13.717 1.00 7.40 C ATOM 1134 C LEU A 71 3.300 -2.674 -14.053 1.00 8.31 C ATOM 1135 O LEU A 71 3.441 -1.593 -13.481 1.00 8.22 O ATOM 1136 CB LEU A 71 0.817 -2.913 -14.173 1.00 7.48 C ATOM 1137 CG LEU A 71 -0.458 -3.766 -14.077 1.00 7.46 C ATOM 1138 CD1 LEU A 71 -0.264 -5.115 -14.757 1.00 6.63 C ATOM 1139 CD2 LEU A 71 -0.881 -3.950 -12.625 1.00 8.16 C ATOM 0 H LEU A 71 2.011 -3.069 -11.683 1.00 6.27 H new ATOM 0 HA LEU A 71 2.246 -4.532 -14.244 1.00 7.40 H new ATOM 0 HB2 LEU A 71 0.671 -2.011 -13.578 1.00 7.48 H new ATOM 0 HB3 LEU A 71 0.940 -2.596 -15.209 1.00 7.48 H new ATOM 0 HG LEU A 71 -1.255 -3.236 -14.598 1.00 7.46 H new ATOM 0 HD11 LEU A 71 -1.181 -5.699 -14.675 1.00 6.63 H new ATOM 0 HD12 LEU A 71 -0.025 -4.961 -15.809 1.00 6.63 H new ATOM 0 HD13 LEU A 71 0.553 -5.652 -14.274 1.00 6.63 H new ATOM 0 HD21 LEU A 71 -1.785 -4.557 -12.584 1.00 8.16 H new ATOM 0 HD22 LEU A 71 -0.084 -4.449 -12.074 1.00 8.16 H new ATOM 0 HD23 LEU A 71 -1.077 -2.976 -12.177 1.00 8.16 H new ATOM 1151 N ARG A 72 4.134 -3.120 -14.995 1.00 9.27 N ATOM 1152 CA ARG A 72 5.304 -2.356 -15.438 1.00 10.25 C ATOM 1153 C ARG A 72 6.158 -1.882 -14.264 1.00 11.32 C ATOM 1154 O ARG A 72 5.843 -0.885 -13.615 1.00 12.10 O ATOM 1155 CB ARG A 72 4.869 -1.152 -16.281 1.00 10.86 C ATOM 1156 CG ARG A 72 4.163 -1.535 -17.573 1.00 11.89 C ATOM 1157 CD ARG A 72 3.933 -0.324 -18.466 1.00 12.56 C ATOM 1158 NE ARG A 72 5.189 0.318 -18.850 1.00 13.15 N ATOM 1159 CZ ARG A 72 5.338 1.063 -19.943 1.00 13.62 C ATOM 1160 NH1 ARG A 72 4.312 1.267 -20.759 1.00 13.61 N ATOM 1161 NH2 ARG A 72 6.514 1.607 -20.219 1.00 14.22 N ATOM 0 H ARG A 72 4.019 -4.015 -15.470 1.00 9.27 H new ATOM 0 HA ARG A 72 5.913 -3.026 -16.045 1.00 10.25 H new ATOM 0 HB2 ARG A 72 4.205 -0.524 -15.687 1.00 10.86 H new ATOM 0 HB3 ARG A 72 5.746 -0.551 -16.521 1.00 10.86 H new ATOM 0 HG2 ARG A 72 4.758 -2.275 -18.108 1.00 11.89 H new ATOM 0 HG3 ARG A 72 3.207 -2.003 -17.341 1.00 11.89 H new ATOM 0 HD2 ARG A 72 3.394 -0.631 -19.362 1.00 12.56 H new ATOM 0 HD3 ARG A 72 3.302 0.396 -17.945 1.00 12.56 H new ATOM 0 HE ARG A 72 5.999 0.187 -18.244 1.00 13.15 H new ATOM 0 HH11 ARG A 72 3.404 0.852 -20.550 1.00 13.61 H new ATOM 0 HH12 ARG A 72 4.431 1.839 -21.595 1.00 13.61 H new ATOM 0 HH21 ARG A 72 7.306 1.455 -19.594 1.00 14.22 H new ATOM 0 HH22 ARG A 72 6.628 2.178 -21.057 1.00 14.22 H new ATOM 1175 N LEU A 73 7.248 -2.599 -14.006 1.00 11.45 N ATOM 1176 CA LEU A 73 8.153 -2.251 -12.916 1.00 12.57 C ATOM 1177 C LEU A 73 8.598 -0.791 -13.016 1.00 13.68 C ATOM 1178 O LEU A 73 8.494 -0.039 -12.047 1.00 13.63 O ATOM 1179 CB LEU A 73 9.371 -3.185 -12.902 1.00 12.50 C ATOM 1180 CG LEU A 73 10.305 -3.092 -14.117 1.00 12.30 C ATOM 1181 CD1 LEU A 73 11.529 -3.972 -13.915 1.00 11.49 C ATOM 1182 CD2 LEU A 73 9.576 -3.483 -15.397 1.00 12.81 C ATOM 0 H LEU A 73 7.526 -3.424 -14.537 1.00 11.45 H new ATOM 0 HA LEU A 73 7.611 -2.376 -11.978 1.00 12.57 H new ATOM 0 HB2 LEU A 73 9.953 -2.977 -12.004 1.00 12.50 H new ATOM 0 HB3 LEU A 73 9.015 -4.212 -12.820 1.00 12.50 H new ATOM 0 HG LEU A 73 10.631 -2.056 -14.214 1.00 12.30 H new ATOM 0 HD11 LEU A 73 12.181 -3.894 -14.785 1.00 11.49 H new ATOM 0 HD12 LEU A 73 12.070 -3.645 -13.027 1.00 11.49 H new ATOM 0 HD13 LEU A 73 11.215 -5.008 -13.788 1.00 11.49 H new ATOM 0 HD21 LEU A 73 10.260 -3.409 -16.242 1.00 12.81 H new ATOM 0 HD22 LEU A 73 9.215 -4.508 -15.311 1.00 12.81 H new ATOM 0 HD23 LEU A 73 8.731 -2.813 -15.554 1.00 12.81 H new ATOM 1194 N ARG A 74 9.093 -0.399 -14.190 1.00 14.71 N ATOM 1195 CA ARG A 74 9.551 0.973 -14.419 1.00 15.86 C ATOM 1196 C ARG A 74 10.582 1.392 -13.373 1.00 16.72 C ATOM 1197 O ARG A 74 10.817 2.583 -13.163 1.00 17.60 O ATOM 1198 CB ARG A 74 8.363 1.940 -14.406 1.00 16.64 C ATOM 1199 CG ARG A 74 7.375 1.707 -15.537 1.00 16.74 C ATOM 1200 CD ARG A 74 6.255 2.734 -15.521 1.00 17.43 C ATOM 1201 NE ARG A 74 5.349 2.577 -16.657 1.00 18.56 N ATOM 1202 CZ ARG A 74 4.417 3.468 -16.988 1.00 18.96 C ATOM 1203 NH1 ARG A 74 4.268 4.576 -16.274 1.00 18.35 N ATOM 1204 NH2 ARG A 74 3.632 3.252 -18.034 1.00 20.03 N ATOM 0 H ARG A 74 9.188 -1.013 -14.999 1.00 14.71 H new ATOM 0 HA ARG A 74 10.027 1.009 -15.399 1.00 15.86 H new ATOM 0 HB2 ARG A 74 7.841 1.847 -13.454 1.00 16.64 H new ATOM 0 HB3 ARG A 74 8.737 2.962 -14.466 1.00 16.64 H new ATOM 0 HG2 ARG A 74 7.897 1.752 -16.493 1.00 16.74 H new ATOM 0 HG3 ARG A 74 6.953 0.706 -15.452 1.00 16.74 H new ATOM 0 HD2 ARG A 74 5.691 2.641 -14.593 1.00 17.43 H new ATOM 0 HD3 ARG A 74 6.683 3.736 -15.535 1.00 17.43 H new ATOM 0 HE ARG A 74 5.436 1.737 -17.229 1.00 18.56 H new ATOM 0 HH11 ARG A 74 4.869 4.748 -15.468 1.00 18.35 H new ATOM 0 HH12 ARG A 74 3.553 5.256 -16.531 1.00 18.35 H new ATOM 0 HH21 ARG A 74 3.741 2.402 -18.587 1.00 20.03 H new ATOM 0 HH22 ARG A 74 2.918 3.936 -18.286 1.00 20.03 H new ATOM 1218 N GLY A 75 11.201 0.403 -12.734 1.00 16.49 N ATOM 1219 CA GLY A 75 12.194 0.672 -11.710 1.00 17.34 C ATOM 1220 C GLY A 75 11.770 0.139 -10.357 1.00 16.75 C ATOM 1221 O GLY A 75 12.405 0.423 -9.340 1.00 16.31 O ATOM 0 H GLY A 75 11.030 -0.587 -12.910 1.00 16.49 H new ATOM 0 HA2 GLY A 75 13.143 0.219 -11.997 1.00 17.34 H new ATOM 0 HA3 GLY A 75 12.362 1.747 -11.640 1.00 17.34 H new ATOM 1225 N GLY A 76 10.689 -0.640 -10.350 1.00 16.82 N ATOM 1226 CA GLY A 76 10.181 -1.207 -9.116 1.00 16.39 C ATOM 1227 C GLY A 76 8.665 -1.216 -9.069 1.00 16.87 C ATOM 1228 O GLY A 76 8.063 -2.214 -9.520 1.00 16.60 O ATOM 1229 OXT GLY A 76 8.079 -0.225 -8.584 1.00 17.60 O ATOM 0 H GLY A 76 10.155 -0.888 -11.183 1.00 16.82 H new ATOM 0 HA2 GLY A 76 10.552 -2.226 -9.007 1.00 16.39 H new ATOM 0 HA3 GLY A 76 10.565 -0.636 -8.271 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 22.876 15.182 6.599 1.00 8.45 N ATOM 1235 CA ALA B 5 21.549 14.805 7.150 1.00 8.55 C ATOM 1236 C ALA B 5 20.657 14.211 6.065 1.00 8.21 C ATOM 1237 O ALA B 5 20.449 14.830 5.020 1.00 8.17 O ATOM 1238 CB ALA B 5 20.878 16.016 7.781 1.00 9.15 C ATOM 0 HA ALA B 5 21.701 14.046 7.917 1.00 8.55 H new ATOM 0 HB1 ALA B 5 19.906 15.726 8.181 1.00 9.15 H new ATOM 0 HB2 ALA B 5 21.503 16.399 8.588 1.00 9.15 H new ATOM 0 HB3 ALA B 5 20.743 16.791 7.027 1.00 9.15 H new ATOM 1244 N LYS B 6 20.131 13.013 6.314 1.00 8.14 N ATOM 1245 CA LYS B 6 19.261 12.342 5.350 1.00 7.96 C ATOM 1246 C LYS B 6 17.835 12.243 5.885 1.00 7.52 C ATOM 1247 O LYS B 6 17.555 12.620 7.024 1.00 7.55 O ATOM 1248 CB LYS B 6 19.799 10.941 5.039 1.00 8.42 C ATOM 1249 CG LYS B 6 21.261 10.926 4.612 1.00 9.06 C ATOM 1250 CD LYS B 6 21.478 11.697 3.316 1.00 9.58 C ATOM 1251 CE LYS B 6 22.940 11.681 2.895 1.00 10.19 C ATOM 1252 NZ LYS B 6 23.158 12.427 1.625 1.00 10.58 N ATOM 0 H LYS B 6 20.292 12.488 7.174 1.00 8.14 H new ATOM 0 HA LYS B 6 19.247 12.932 4.434 1.00 7.96 H new ATOM 0 HB2 LYS B 6 19.681 10.312 5.922 1.00 8.42 H new ATOM 0 HB3 LYS B 6 19.194 10.497 4.248 1.00 8.42 H new ATOM 0 HG2 LYS B 6 21.875 11.360 5.401 1.00 9.06 H new ATOM 0 HG3 LYS B 6 21.591 9.895 4.482 1.00 9.06 H new ATOM 0 HD2 LYS B 6 20.866 11.262 2.526 1.00 9.58 H new ATOM 0 HD3 LYS B 6 21.147 12.727 3.445 1.00 9.58 H new ATOM 0 HE2 LYS B 6 23.550 12.120 3.684 1.00 10.19 H new ATOM 0 HE3 LYS B 6 23.272 10.650 2.772 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 24.166 12.393 1.371 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 22.595 11.992 0.866 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 22.865 13.417 1.749 1.00 10.58 H new ATOM 1266 N GLU B 7 16.943 11.728 5.043 1.00 7.18 N ATOM 1267 CA GLU B 7 15.546 11.525 5.414 1.00 6.79 C ATOM 1268 C GLU B 7 15.317 10.046 5.706 1.00 6.27 C ATOM 1269 O GLU B 7 15.751 9.186 4.939 1.00 6.06 O ATOM 1270 CB GLU B 7 14.614 11.991 4.291 1.00 6.70 C ATOM 1271 CG GLU B 7 14.765 13.464 3.943 1.00 7.25 C ATOM 1272 CD GLU B 7 13.682 13.950 2.998 1.00 7.37 C ATOM 1273 OE1 GLU B 7 13.885 13.870 1.768 1.00 7.53 O ATOM 1274 OE2 GLU B 7 12.628 14.408 3.490 1.00 7.56 O ATOM 0 H GLU B 7 17.166 11.441 4.090 1.00 7.18 H new ATOM 0 HA GLU B 7 15.324 12.114 6.304 1.00 6.79 H new ATOM 0 HB2 GLU B 7 14.807 11.394 3.399 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.582 11.800 4.585 1.00 6.70 H new ATOM 0 HG2 GLU B 7 14.737 14.055 4.858 1.00 7.25 H new ATOM 0 HG3 GLU B 7 15.741 13.628 3.487 1.00 7.25 H new ATOM 1281 N TYR B 8 14.642 9.752 6.814 1.00 6.11 N ATOM 1282 CA TYR B 8 14.381 8.368 7.201 1.00 5.67 C ATOM 1283 C TYR B 8 12.904 8.128 7.494 1.00 5.23 C ATOM 1284 O TYR B 8 12.127 9.068 7.666 1.00 5.37 O ATOM 1285 CB TYR B 8 15.219 7.994 8.425 1.00 5.93 C ATOM 1286 CG TYR B 8 16.706 8.185 8.223 1.00 6.40 C ATOM 1287 CD1 TYR B 8 17.305 9.420 8.443 1.00 6.75 C ATOM 1288 CD2 TYR B 8 17.512 7.132 7.810 1.00 6.73 C ATOM 1289 CE1 TYR B 8 18.662 9.600 8.257 1.00 7.21 C ATOM 1290 CE2 TYR B 8 18.870 7.302 7.623 1.00 7.19 C ATOM 1291 CZ TYR B 8 19.440 8.538 7.847 1.00 7.34 C ATOM 1292 OH TYR B 8 20.793 8.712 7.660 1.00 7.84 O ATOM 0 H TYR B 8 14.267 10.449 7.457 1.00 6.11 H new ATOM 0 HA TYR B 8 14.662 7.736 6.358 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.896 8.597 9.274 1.00 5.93 H new ATOM 0 HB3 TYR B 8 15.027 6.952 8.682 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.699 10.254 8.765 1.00 6.75 H new ATOM 0 HD2 TYR B 8 17.069 6.163 7.632 1.00 6.73 H new ATOM 0 HE1 TYR B 8 19.111 10.567 8.432 1.00 7.21 H new ATOM 0 HE2 TYR B 8 19.482 6.472 7.303 1.00 7.19 H new ATOM 0 HH TYR B 8 21.195 7.866 7.372 1.00 7.84 H new ATOM 1302 N CYS B 9 12.539 6.854 7.548 1.00 4.73 N ATOM 1303 CA CYS B 9 11.162 6.453 7.824 1.00 4.31 C ATOM 1304 C CYS B 9 11.127 5.158 8.629 1.00 3.91 C ATOM 1305 O CYS B 9 12.001 4.302 8.481 1.00 3.80 O ATOM 1306 CB CYS B 9 10.388 6.281 6.514 1.00 4.13 C ATOM 1307 SG CYS B 9 11.103 5.063 5.385 1.00 4.61 S ATOM 0 H CYS B 9 13.181 6.074 7.404 1.00 4.73 H new ATOM 0 HA CYS B 9 10.689 7.238 8.414 1.00 4.31 H new ATOM 0 HB2 CYS B 9 9.364 5.988 6.746 1.00 4.13 H new ATOM 0 HB3 CYS B 9 10.337 7.244 6.006 1.00 4.13 H new ATOM 0 HG CYS B 9 10.377 4.989 4.309 1.00 4.61 H new ATOM 1313 N ARG B 10 10.110 5.016 9.479 1.00 3.77 N ATOM 1314 CA ARG B 10 9.975 3.824 10.312 1.00 3.48 C ATOM 1315 C ARG B 10 8.977 2.848 9.698 1.00 3.02 C ATOM 1316 O ARG B 10 7.964 3.257 9.131 1.00 3.04 O ATOM 1317 CB ARG B 10 9.537 4.206 11.727 1.00 3.74 C ATOM 1318 CG ARG B 10 9.512 3.031 12.695 1.00 3.64 C ATOM 1319 CD ARG B 10 9.156 3.475 14.105 1.00 3.85 C ATOM 1320 NE ARG B 10 9.172 2.359 15.048 1.00 3.92 N ATOM 1321 CZ ARG B 10 8.992 2.497 16.359 1.00 4.05 C ATOM 1322 NH1 ARG B 10 8.781 3.698 16.882 1.00 4.22 N ATOM 1323 NH2 ARG B 10 9.023 1.433 17.148 1.00 4.43 N ATOM 0 H ARG B 10 9.372 5.708 9.608 1.00 3.77 H new ATOM 0 HA ARG B 10 10.948 3.336 10.367 1.00 3.48 H new ATOM 0 HB2 ARG B 10 10.212 4.970 12.113 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.543 4.651 11.683 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.788 2.292 12.352 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.487 2.543 12.702 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.861 4.238 14.434 1.00 3.85 H new ATOM 0 HD3 ARG B 10 8.167 3.934 14.102 1.00 3.85 H new ATOM 0 HE ARG B 10 9.330 1.421 14.680 1.00 3.92 H new ATOM 0 HH11 ARG B 10 8.756 4.520 16.278 1.00 4.22 H new ATOM 0 HH12 ARG B 10 8.643 3.799 17.888 1.00 4.22 H new ATOM 0 HH21 ARG B 10 9.185 0.508 16.750 1.00 4.43 H new ATOM 0 HH22 ARG B 10 8.885 1.539 18.153 1.00 4.43 H new ATOM 1337 N THR B 11 9.269 1.550 9.827 1.00 2.72 N ATOM 1338 CA THR B 11 8.404 0.507 9.286 1.00 2.35 C ATOM 1339 C THR B 11 7.305 0.128 10.276 1.00 2.40 C ATOM 1340 O THR B 11 7.588 -0.242 11.417 1.00 2.57 O ATOM 1341 CB THR B 11 9.217 -0.747 8.936 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.944 -1.183 10.090 1.00 2.48 O ATOM 1343 CG2 THR B 11 10.187 -0.465 7.797 1.00 2.15 C ATOM 0 H THR B 11 10.100 1.200 10.303 1.00 2.72 H new ATOM 0 HA THR B 11 7.944 0.907 8.382 1.00 2.35 H new ATOM 0 HB THR B 11 8.528 -1.529 8.616 1.00 2.15 H new ATOM 0 HG1 THR B 11 10.284 -2.090 9.939 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.751 -1.369 7.568 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.630 -0.151 6.914 1.00 2.15 H new ATOM 0 HG23 THR B 11 10.875 0.327 8.093 1.00 2.15 H new ATOM 1351 N LEU B 12 6.057 0.222 9.834 1.00 2.42 N ATOM 1352 CA LEU B 12 4.917 -0.091 10.692 1.00 2.61 C ATOM 1353 C LEU B 12 4.442 -1.534 10.519 1.00 2.57 C ATOM 1354 O LEU B 12 3.775 -2.071 11.404 1.00 2.79 O ATOM 1355 CB LEU B 12 3.765 0.870 10.389 1.00 2.93 C ATOM 1356 CG LEU B 12 4.136 2.357 10.415 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.973 3.206 9.924 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.556 2.781 11.816 1.00 3.78 C ATOM 0 H LEU B 12 5.807 0.512 8.889 1.00 2.42 H new ATOM 0 HA LEU B 12 5.242 0.026 11.726 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.360 0.629 9.406 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.968 0.697 11.113 1.00 2.93 H new ATOM 0 HG LEU B 12 4.981 2.512 9.744 1.00 3.34 H new ATOM 0 HD11 LEU B 12 3.255 4.259 9.949 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.721 2.922 8.902 1.00 3.72 H new ATOM 0 HD13 LEU B 12 2.108 3.046 10.568 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.815 3.840 11.813 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.733 2.611 12.510 1.00 3.78 H new ATOM 0 HD23 LEU B 12 5.421 2.196 12.129 1.00 3.78 H new ATOM 1370 N PHE B 13 4.771 -2.166 9.392 1.00 2.42 N ATOM 1371 CA PHE B 13 4.339 -3.543 9.147 1.00 2.54 C ATOM 1372 C PHE B 13 5.385 -4.338 8.360 1.00 2.25 C ATOM 1373 O PHE B 13 6.015 -3.808 7.443 1.00 1.97 O ATOM 1374 CB PHE B 13 3.008 -3.525 8.386 1.00 2.93 C ATOM 1375 CG PHE B 13 2.463 -4.887 8.062 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.698 -5.580 8.986 1.00 3.98 C ATOM 1377 CD2 PHE B 13 2.710 -5.470 6.830 1.00 3.89 C ATOM 1378 CE1 PHE B 13 1.192 -6.831 8.688 1.00 4.67 C ATOM 1379 CE2 PHE B 13 2.208 -6.720 6.526 1.00 4.60 C ATOM 1380 CZ PHE B 13 1.448 -7.402 7.456 1.00 4.88 C ATOM 0 H PHE B 13 5.328 -1.754 8.643 1.00 2.42 H new ATOM 0 HA PHE B 13 4.213 -4.038 10.110 1.00 2.54 H new ATOM 0 HB2 PHE B 13 2.271 -2.983 8.979 1.00 2.93 H new ATOM 0 HB3 PHE B 13 3.141 -2.969 7.458 1.00 2.93 H new ATOM 0 HD1 PHE B 13 1.495 -5.138 9.950 1.00 3.98 H new ATOM 0 HD2 PHE B 13 3.302 -4.941 6.098 1.00 3.89 H new ATOM 0 HE1 PHE B 13 0.597 -7.362 9.417 1.00 4.67 H new ATOM 0 HE2 PHE B 13 2.409 -7.164 5.562 1.00 4.60 H new ATOM 0 HZ PHE B 13 1.054 -8.380 7.221 1.00 4.88 H new ATOM 1390 N PRO B 14 5.583 -5.630 8.713 1.00 2.42 N ATOM 1391 CA PRO B 14 6.552 -6.503 8.032 1.00 2.31 C ATOM 1392 C PRO B 14 6.224 -6.698 6.553 1.00 2.34 C ATOM 1393 O PRO B 14 5.064 -6.851 6.176 1.00 2.77 O ATOM 1394 CB PRO B 14 6.441 -7.836 8.782 1.00 2.76 C ATOM 1395 CG PRO B 14 5.805 -7.496 10.085 1.00 3.11 C ATOM 1396 CD PRO B 14 4.895 -6.335 9.809 1.00 2.88 C ATOM 0 HA PRO B 14 7.554 -6.075 8.049 1.00 2.31 H new ATOM 0 HB2 PRO B 14 5.839 -8.553 8.224 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.422 -8.289 8.928 1.00 2.76 H new ATOM 0 HG2 PRO B 14 5.246 -8.345 10.480 1.00 3.11 H new ATOM 0 HG3 PRO B 14 6.557 -7.235 10.830 1.00 3.11 H new ATOM 0 HD2 PRO B 14 3.898 -6.664 9.515 1.00 2.88 H new ATOM 0 HD3 PRO B 14 4.775 -5.699 10.686 1.00 2.88 H new ATOM 1404 N TYR B 15 7.258 -6.693 5.731 1.00 2.05 N ATOM 1405 CA TYR B 15 7.106 -6.863 4.288 1.00 2.18 C ATOM 1406 C TYR B 15 8.191 -7.774 3.720 1.00 2.20 C ATOM 1407 O TYR B 15 9.370 -7.616 4.036 1.00 2.06 O ATOM 1408 CB TYR B 15 7.163 -5.514 3.575 1.00 2.12 C ATOM 1409 CG TYR B 15 6.891 -5.630 2.092 1.00 2.49 C ATOM 1410 CD1 TYR B 15 5.594 -5.776 1.617 1.00 3.05 C ATOM 1411 CD2 TYR B 15 7.930 -5.619 1.170 1.00 2.50 C ATOM 1412 CE1 TYR B 15 5.338 -5.906 0.267 1.00 3.52 C ATOM 1413 CE2 TYR B 15 7.683 -5.745 -0.183 1.00 2.98 C ATOM 1414 CZ TYR B 15 6.386 -5.889 -0.630 1.00 3.45 C ATOM 1415 OH TYR B 15 6.135 -6.022 -1.975 1.00 4.00 O ATOM 0 H TYR B 15 8.223 -6.572 6.037 1.00 2.05 H new ATOM 0 HA TYR B 15 6.133 -7.323 4.118 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.434 -4.839 4.023 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.146 -5.068 3.727 1.00 2.12 H new ATOM 0 HD1 TYR B 15 4.771 -5.788 2.316 1.00 3.05 H new ATOM 0 HD2 TYR B 15 8.947 -5.510 1.517 1.00 2.50 H new ATOM 0 HE1 TYR B 15 4.323 -6.020 -0.085 1.00 3.52 H new ATOM 0 HE2 TYR B 15 8.501 -5.731 -0.888 1.00 2.98 H new ATOM 0 HH TYR B 15 6.844 -6.557 -2.389 1.00 4.00 H new ATOM 1425 N THR B 16 7.783 -8.724 2.881 1.00 2.62 N ATOM 1426 CA THR B 16 8.720 -9.651 2.251 1.00 2.82 C ATOM 1427 C THR B 16 8.811 -9.391 0.749 1.00 2.71 C ATOM 1428 O THR B 16 7.816 -9.495 0.030 1.00 3.05 O ATOM 1429 CB THR B 16 8.306 -11.120 2.483 1.00 3.44 C ATOM 1430 OG1 THR B 16 8.198 -11.383 3.885 1.00 3.72 O ATOM 1431 CG2 THR B 16 9.312 -12.077 1.860 1.00 3.82 C ATOM 0 H THR B 16 6.808 -8.872 2.622 1.00 2.62 H new ATOM 0 HA THR B 16 9.694 -9.483 2.712 1.00 2.82 H new ATOM 0 HB THR B 16 7.338 -11.277 2.007 1.00 3.44 H new ATOM 0 HG1 THR B 16 7.933 -12.316 4.023 1.00 3.72 H new ATOM 0 HG21 THR B 16 8.995 -13.105 2.039 1.00 3.82 H new ATOM 0 HG22 THR B 16 9.369 -11.896 0.787 1.00 3.82 H new ATOM 0 HG23 THR B 16 10.293 -11.916 2.308 1.00 3.82 H new ATOM 1439 N GLY B 17 10.016 -9.046 0.281 1.00 2.63 N ATOM 1440 CA GLY B 17 10.220 -8.783 -1.136 1.00 2.64 C ATOM 1441 C GLY B 17 9.887 -9.980 -2.003 1.00 2.86 C ATOM 1442 O GLY B 17 10.212 -11.115 -1.651 1.00 3.22 O ATOM 0 H GLY B 17 10.850 -8.945 0.859 1.00 2.63 H new ATOM 0 HA2 GLY B 17 9.602 -7.937 -1.438 1.00 2.64 H new ATOM 0 HA3 GLY B 17 11.258 -8.495 -1.303 1.00 2.64 H new ATOM 1446 N THR B 18 9.236 -9.726 -3.141 1.00 2.97 N ATOM 1447 CA THR B 18 8.873 -10.792 -4.068 1.00 3.40 C ATOM 1448 C THR B 18 9.805 -10.796 -5.278 1.00 3.24 C ATOM 1449 O THR B 18 9.971 -11.814 -5.952 1.00 3.53 O ATOM 1450 CB THR B 18 7.418 -10.646 -4.559 1.00 4.01 C ATOM 1451 OG1 THR B 18 7.316 -9.536 -5.464 1.00 4.37 O ATOM 1452 CG2 THR B 18 6.460 -10.436 -3.395 1.00 4.64 C ATOM 0 H THR B 18 8.952 -8.793 -3.439 1.00 2.97 H new ATOM 0 HA THR B 18 8.969 -11.732 -3.525 1.00 3.40 H new ATOM 0 HB THR B 18 7.144 -11.569 -5.071 1.00 4.01 H new ATOM 0 HG1 THR B 18 7.158 -9.868 -6.372 1.00 4.37 H new ATOM 0 HG21 THR B 18 5.443 -10.337 -3.774 1.00 4.64 H new ATOM 0 HG22 THR B 18 6.514 -11.291 -2.721 1.00 4.64 H new ATOM 0 HG23 THR B 18 6.736 -9.530 -2.855 1.00 4.64 H new ATOM 1460 N ASN B 19 10.406 -9.631 -5.537 1.00 2.97 N ATOM 1461 CA ASN B 19 11.337 -9.456 -6.649 1.00 2.95 C ATOM 1462 C ASN B 19 12.703 -9.019 -6.116 1.00 2.53 C ATOM 1463 O ASN B 19 12.796 -8.427 -5.039 1.00 2.37 O ATOM 1464 CB ASN B 19 10.788 -8.418 -7.634 1.00 3.31 C ATOM 1465 CG ASN B 19 11.686 -8.211 -8.841 1.00 3.62 C ATOM 1466 OD1 ASN B 19 12.385 -9.126 -9.277 1.00 3.98 O ATOM 1467 ND2 ASN B 19 11.667 -7.002 -9.388 1.00 4.05 N ATOM 0 H ASN B 19 10.260 -8.787 -4.983 1.00 2.97 H new ATOM 0 HA ASN B 19 11.453 -10.404 -7.174 1.00 2.95 H new ATOM 0 HB2 ASN B 19 9.801 -8.733 -7.972 1.00 3.31 H new ATOM 0 HB3 ASN B 19 10.659 -7.467 -7.117 1.00 3.31 H new ATOM 0 HD21 ASN B 19 12.247 -6.802 -10.203 1.00 4.05 H new ATOM 0 HD22 ASN B 19 11.072 -6.273 -8.994 1.00 4.05 H new ATOM 1474 N GLU B 20 13.758 -9.312 -6.873 1.00 2.59 N ATOM 1475 CA GLU B 20 15.117 -8.972 -6.460 1.00 2.51 C ATOM 1476 C GLU B 20 15.320 -7.459 -6.397 1.00 2.43 C ATOM 1477 O GLU B 20 15.966 -6.951 -5.481 1.00 2.58 O ATOM 1478 CB GLU B 20 16.133 -9.608 -7.417 1.00 2.89 C ATOM 1479 CG GLU B 20 17.576 -9.544 -6.930 1.00 3.34 C ATOM 1480 CD GLU B 20 18.127 -8.128 -6.887 1.00 3.79 C ATOM 1481 OE1 GLU B 20 18.116 -7.453 -7.939 1.00 4.19 O ATOM 1482 OE2 GLU B 20 18.569 -7.695 -5.802 1.00 4.26 O ATOM 0 H GLU B 20 13.698 -9.784 -7.775 1.00 2.59 H new ATOM 0 HA GLU B 20 15.274 -9.369 -5.457 1.00 2.51 H new ATOM 0 HB2 GLU B 20 15.861 -10.651 -7.576 1.00 2.89 H new ATOM 0 HB3 GLU B 20 16.065 -9.110 -8.384 1.00 2.89 H new ATOM 0 HG2 GLU B 20 17.637 -9.982 -5.934 1.00 3.34 H new ATOM 0 HG3 GLU B 20 18.202 -10.151 -7.584 1.00 3.34 H new ATOM 1489 N ASP B 21 14.751 -6.740 -7.364 1.00 2.53 N ATOM 1490 CA ASP B 21 14.897 -5.286 -7.403 1.00 2.79 C ATOM 1491 C ASP B 21 14.054 -4.632 -6.310 1.00 2.58 C ATOM 1492 O ASP B 21 14.110 -3.418 -6.109 1.00 2.78 O ATOM 1493 CB ASP B 21 14.512 -4.739 -8.782 1.00 3.35 C ATOM 1494 CG ASP B 21 14.588 -3.223 -8.855 1.00 3.78 C ATOM 1495 OD1 ASP B 21 15.710 -2.692 -8.990 1.00 4.22 O ATOM 1496 OD2 ASP B 21 13.524 -2.569 -8.777 1.00 4.18 O ATOM 0 H ASP B 21 14.192 -7.134 -8.121 1.00 2.53 H new ATOM 0 HA ASP B 21 15.944 -5.043 -7.220 1.00 2.79 H new ATOM 0 HB2 ASP B 21 15.172 -5.168 -9.536 1.00 3.35 H new ATOM 0 HB3 ASP B 21 13.499 -5.060 -9.026 1.00 3.35 H new ATOM 1501 N GLU B 22 13.281 -5.451 -5.602 1.00 2.35 N ATOM 1502 CA GLU B 22 12.422 -4.967 -4.531 1.00 2.22 C ATOM 1503 C GLU B 22 13.180 -4.911 -3.206 1.00 1.84 C ATOM 1504 O GLU B 22 14.195 -5.589 -3.034 1.00 1.91 O ATOM 1505 CB GLU B 22 11.194 -5.871 -4.404 1.00 2.44 C ATOM 1506 CG GLU B 22 9.991 -5.191 -3.772 1.00 2.91 C ATOM 1507 CD GLU B 22 8.704 -5.963 -3.995 1.00 3.33 C ATOM 1508 OE1 GLU B 22 8.389 -6.847 -3.172 1.00 3.68 O ATOM 1509 OE2 GLU B 22 8.013 -5.688 -4.998 1.00 3.77 O ATOM 0 H GLU B 22 13.234 -6.459 -5.754 1.00 2.35 H new ATOM 0 HA GLU B 22 12.098 -3.955 -4.776 1.00 2.22 H new ATOM 0 HB2 GLU B 22 10.916 -6.231 -5.395 1.00 2.44 H new ATOM 0 HB3 GLU B 22 11.459 -6.745 -3.809 1.00 2.44 H new ATOM 0 HG2 GLU B 22 10.162 -5.078 -2.701 1.00 2.91 H new ATOM 0 HG3 GLU B 22 9.886 -4.188 -4.186 1.00 2.91 H new ATOM 1516 N LEU B 23 12.681 -4.108 -2.279 1.00 1.69 N ATOM 1517 CA LEU B 23 13.285 -3.981 -0.954 1.00 1.59 C ATOM 1518 C LEU B 23 12.454 -4.778 0.043 1.00 1.33 C ATOM 1519 O LEU B 23 11.223 -4.778 -0.012 1.00 1.30 O ATOM 1520 CB LEU B 23 13.354 -2.509 -0.531 1.00 1.92 C ATOM 1521 CG LEU B 23 14.427 -2.163 0.509 1.00 2.39 C ATOM 1522 CD1 LEU B 23 14.497 -0.657 0.715 1.00 3.13 C ATOM 1523 CD2 LEU B 23 14.150 -2.866 1.832 1.00 2.61 C ATOM 0 H LEU B 23 11.853 -3.529 -2.418 1.00 1.69 H new ATOM 0 HA LEU B 23 14.303 -4.371 -0.981 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.528 -1.903 -1.420 1.00 1.92 H new ATOM 0 HB3 LEU B 23 12.382 -2.219 -0.133 1.00 1.92 H new ATOM 0 HG LEU B 23 15.389 -2.512 0.134 1.00 2.39 H new ATOM 0 HD11 LEU B 23 15.263 -0.426 1.456 1.00 3.13 H new ATOM 0 HD12 LEU B 23 14.747 -0.172 -0.229 1.00 3.13 H new ATOM 0 HD13 LEU B 23 13.531 -0.292 1.066 1.00 3.13 H new ATOM 0 HD21 LEU B 23 14.925 -2.604 2.552 1.00 2.61 H new ATOM 0 HD22 LEU B 23 13.179 -2.553 2.214 1.00 2.61 H new ATOM 0 HD23 LEU B 23 14.148 -3.945 1.677 1.00 2.61 H new ATOM 1535 N THR B 24 13.148 -5.455 0.958 1.00 1.49 N ATOM 1536 CA THR B 24 12.493 -6.243 1.991 1.00 1.61 C ATOM 1537 C THR B 24 12.735 -5.600 3.350 1.00 1.73 C ATOM 1538 O THR B 24 13.881 -5.393 3.747 1.00 2.12 O ATOM 1539 CB THR B 24 12.995 -7.701 2.007 1.00 2.09 C ATOM 1540 OG1 THR B 24 12.711 -8.332 0.754 1.00 2.21 O ATOM 1541 CG2 THR B 24 12.352 -8.492 3.138 1.00 2.46 C ATOM 0 H THR B 24 14.167 -5.471 1.001 1.00 1.49 H new ATOM 0 HA THR B 24 11.426 -6.264 1.771 1.00 1.61 H new ATOM 0 HB THR B 24 14.073 -7.684 2.170 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.035 -9.257 0.773 1.00 2.21 H new ATOM 0 HG21 THR B 24 12.725 -9.516 3.124 1.00 2.46 H new ATOM 0 HG22 THR B 24 12.600 -8.029 4.093 1.00 2.46 H new ATOM 0 HG23 THR B 24 11.270 -8.498 3.008 1.00 2.46 H new ATOM 1549 N PHE B 25 11.664 -5.292 4.057 1.00 1.59 N ATOM 1550 CA PHE B 25 11.780 -4.623 5.349 1.00 1.85 C ATOM 1551 C PHE B 25 10.875 -5.226 6.413 1.00 2.01 C ATOM 1552 O PHE B 25 9.776 -5.683 6.109 1.00 2.00 O ATOM 1553 CB PHE B 25 11.461 -3.136 5.185 1.00 1.77 C ATOM 1554 CG PHE B 25 10.136 -2.879 4.525 1.00 1.55 C ATOM 1555 CD1 PHE B 25 9.989 -3.033 3.156 1.00 1.69 C ATOM 1556 CD2 PHE B 25 9.036 -2.489 5.273 1.00 1.98 C ATOM 1557 CE1 PHE B 25 8.773 -2.802 2.545 1.00 2.12 C ATOM 1558 CE2 PHE B 25 7.818 -2.255 4.667 1.00 2.46 C ATOM 1559 CZ PHE B 25 7.685 -2.412 3.301 1.00 2.49 C ATOM 0 H PHE B 25 10.707 -5.491 3.765 1.00 1.59 H new ATOM 0 HA PHE B 25 12.806 -4.760 5.690 1.00 1.85 H new ATOM 0 HB2 PHE B 25 11.468 -2.660 6.166 1.00 1.77 H new ATOM 0 HB3 PHE B 25 12.249 -2.666 4.597 1.00 1.77 H new ATOM 0 HD1 PHE B 25 10.836 -3.338 2.560 1.00 1.69 H new ATOM 0 HD2 PHE B 25 9.133 -2.367 6.342 1.00 1.98 H new ATOM 0 HE1 PHE B 25 8.673 -2.926 1.477 1.00 2.12 H new ATOM 0 HE2 PHE B 25 6.969 -1.949 5.261 1.00 2.46 H new ATOM 0 HZ PHE B 25 6.733 -2.230 2.825 1.00 2.49 H new ATOM 1569 N ARG B 26 11.339 -5.226 7.659 1.00 2.36 N ATOM 1570 CA ARG B 26 10.544 -5.748 8.767 1.00 2.64 C ATOM 1571 C ARG B 26 10.084 -4.605 9.667 1.00 2.55 C ATOM 1572 O ARG B 26 10.418 -3.451 9.417 1.00 2.38 O ATOM 1573 CB ARG B 26 11.346 -6.777 9.570 1.00 3.25 C ATOM 1574 CG ARG B 26 11.820 -7.960 8.738 1.00 3.51 C ATOM 1575 CD ARG B 26 10.649 -8.733 8.153 1.00 4.14 C ATOM 1576 NE ARG B 26 11.084 -9.756 7.205 1.00 4.69 N ATOM 1577 CZ ARG B 26 10.305 -10.250 6.248 1.00 5.47 C ATOM 1578 NH1 ARG B 26 9.059 -9.812 6.112 1.00 5.83 N ATOM 1579 NH2 ARG B 26 10.772 -11.180 5.426 1.00 6.21 N ATOM 0 H ARG B 26 12.257 -4.872 7.927 1.00 2.36 H new ATOM 0 HA ARG B 26 9.665 -6.247 8.359 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.211 -6.285 10.014 1.00 3.25 H new ATOM 0 HB3 ARG B 26 10.731 -7.144 10.392 1.00 3.25 H new ATOM 0 HG2 ARG B 26 12.463 -7.605 7.932 1.00 3.51 H new ATOM 0 HG3 ARG B 26 12.423 -8.624 9.358 1.00 3.51 H new ATOM 0 HD2 ARG B 26 10.086 -9.203 8.960 1.00 4.14 H new ATOM 0 HD3 ARG B 26 9.972 -8.041 7.653 1.00 4.14 H new ATOM 0 HE ARG B 26 12.037 -10.110 7.282 1.00 4.69 H new ATOM 0 HH11 ARG B 26 8.699 -9.096 6.742 1.00 5.83 H new ATOM 0 HH12 ARG B 26 8.462 -10.192 5.377 1.00 5.83 H new ATOM 0 HH21 ARG B 26 11.729 -11.517 5.528 1.00 6.21 H new ATOM 0 HH22 ARG B 26 10.174 -11.559 4.692 1.00 6.21 H new ATOM 1593 N GLU B 27 9.318 -4.926 10.703 1.00 2.79 N ATOM 1594 CA GLU B 27 8.827 -3.907 11.630 1.00 2.80 C ATOM 1595 C GLU B 27 9.905 -3.557 12.653 1.00 3.17 C ATOM 1596 O GLU B 27 10.656 -4.422 13.105 1.00 3.57 O ATOM 1597 CB GLU B 27 7.557 -4.388 12.338 1.00 3.01 C ATOM 1598 CG GLU B 27 7.730 -5.693 13.101 1.00 2.98 C ATOM 1599 CD GLU B 27 6.460 -6.123 13.813 1.00 3.49 C ATOM 1600 OE1 GLU B 27 5.641 -6.832 13.189 1.00 3.87 O ATOM 1601 OE2 GLU B 27 6.285 -5.750 14.992 1.00 3.83 O ATOM 0 H GLU B 27 9.023 -5.877 10.924 1.00 2.79 H new ATOM 0 HA GLU B 27 8.583 -3.011 11.059 1.00 2.80 H new ATOM 0 HB2 GLU B 27 7.225 -3.615 13.031 1.00 3.01 H new ATOM 0 HB3 GLU B 27 6.766 -4.514 11.598 1.00 3.01 H new ATOM 0 HG2 GLU B 27 8.038 -6.477 12.409 1.00 2.98 H new ATOM 0 HG3 GLU B 27 8.531 -5.580 13.831 1.00 2.98 H new ATOM 1608 N GLY B 28 9.968 -2.274 13.007 1.00 3.14 N ATOM 1609 CA GLY B 28 10.977 -1.798 13.940 1.00 3.60 C ATOM 1610 C GLY B 28 12.290 -1.531 13.227 1.00 3.75 C ATOM 1611 O GLY B 28 13.355 -1.482 13.842 1.00 4.23 O ATOM 0 H GLY B 28 9.335 -1.553 12.662 1.00 3.14 H new ATOM 0 HA2 GLY B 28 10.629 -0.885 14.424 1.00 3.60 H new ATOM 0 HA3 GLY B 28 11.129 -2.538 14.726 1.00 3.60 H new ATOM 1615 N GLU B 29 12.184 -1.360 11.910 1.00 3.41 N ATOM 1616 CA GLU B 29 13.330 -1.130 11.035 1.00 3.61 C ATOM 1617 C GLU B 29 13.547 0.345 10.696 1.00 3.65 C ATOM 1618 O GLU B 29 12.792 1.226 11.109 1.00 3.39 O ATOM 1619 CB GLU B 29 13.190 -1.945 9.747 1.00 3.33 C ATOM 1620 CG GLU B 29 13.302 -3.447 9.959 1.00 3.45 C ATOM 1621 CD GLU B 29 14.651 -3.860 10.518 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.604 -4.007 9.724 1.00 3.93 O ATOM 1623 OE2 GLU B 29 14.755 -4.035 11.751 1.00 4.19 O ATOM 0 H GLU B 29 11.291 -1.378 11.417 1.00 3.41 H new ATOM 0 HA GLU B 29 14.209 -1.459 11.590 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.226 -1.722 9.290 1.00 3.33 H new ATOM 0 HB3 GLU B 29 13.958 -1.628 9.042 1.00 3.33 H new ATOM 0 HG2 GLU B 29 12.516 -3.773 10.640 1.00 3.45 H new ATOM 0 HG3 GLU B 29 13.135 -3.957 9.010 1.00 3.45 H new ATOM 1630 N ILE B 30 14.590 0.561 9.930 1.00 4.10 N ATOM 1631 CA ILE B 30 14.981 1.905 9.512 1.00 4.32 C ATOM 1632 C ILE B 30 15.345 1.931 8.032 1.00 4.27 C ATOM 1633 O ILE B 30 16.307 1.288 7.610 1.00 4.58 O ATOM 1634 CB ILE B 30 16.173 2.445 10.335 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.888 2.338 11.839 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.471 3.891 9.950 1.00 5.23 C ATOM 1637 CD1 ILE B 30 14.810 3.281 12.332 1.00 4.81 C ATOM 0 H ILE B 30 15.195 -0.180 9.575 1.00 4.10 H new ATOM 0 HA ILE B 30 14.119 2.548 9.689 1.00 4.32 H new ATOM 0 HB ILE B 30 17.049 1.837 10.110 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.594 1.314 12.070 1.00 5.06 H new ATOM 0 HG13 ILE B 30 16.809 2.537 12.388 1.00 5.06 H new ATOM 0 HG21 ILE B 30 17.313 4.258 10.538 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.719 3.941 8.890 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.594 4.508 10.147 1.00 5.23 H new ATOM 0 HD11 ILE B 30 14.669 3.143 13.404 1.00 4.81 H new ATOM 0 HD12 ILE B 30 15.109 4.310 12.135 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.876 3.069 11.813 1.00 4.81 H new ATOM 1649 N ILE B 31 14.569 2.675 7.253 1.00 3.95 N ATOM 1650 CA ILE B 31 14.797 2.784 5.816 1.00 3.95 C ATOM 1651 C ILE B 31 15.245 4.191 5.437 1.00 4.46 C ATOM 1652 O ILE B 31 14.711 5.180 5.945 1.00 4.64 O ATOM 1653 CB ILE B 31 13.527 2.422 5.016 1.00 3.46 C ATOM 1654 CG1 ILE B 31 12.999 1.047 5.445 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.816 2.442 3.519 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.689 0.665 4.788 1.00 2.59 C ATOM 0 H ILE B 31 13.773 3.214 7.594 1.00 3.95 H new ATOM 0 HA ILE B 31 15.587 2.076 5.564 1.00 3.95 H new ATOM 0 HB ILE B 31 12.760 3.167 5.227 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.748 0.291 5.209 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.868 1.039 6.527 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.910 2.185 2.970 1.00 3.48 H new ATOM 0 HG22 ILE B 31 14.147 3.438 3.226 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.597 1.718 3.290 1.00 3.48 H new ATOM 0 HD11 ILE B 31 11.379 -0.319 5.140 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.926 1.400 5.044 1.00 2.59 H new ATOM 0 HD13 ILE B 31 11.819 0.639 3.706 1.00 2.59 H new ATOM 1668 N HIS B 32 16.231 4.275 4.546 1.00 4.75 N ATOM 1669 CA HIS B 32 16.738 5.560 4.077 1.00 5.28 C ATOM 1670 C HIS B 32 15.992 5.965 2.812 1.00 5.20 C ATOM 1671 O HIS B 32 15.909 5.189 1.867 1.00 5.08 O ATOM 1672 CB HIS B 32 18.240 5.474 3.797 1.00 5.69 C ATOM 1673 CG HIS B 32 18.997 4.688 4.823 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.508 4.433 6.086 1.00 6.55 N ATOM 1675 CD2 HIS B 32 20.210 4.091 4.763 1.00 6.53 C ATOM 1676 CE1 HIS B 32 19.388 3.713 6.759 1.00 7.12 C ATOM 1677 NE2 HIS B 32 20.429 3.492 5.978 1.00 7.14 N ATOM 0 H HIS B 32 16.695 3.465 4.134 1.00 4.75 H new ATOM 0 HA HIS B 32 16.577 6.311 4.851 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.393 5.020 2.818 1.00 5.69 H new ATOM 0 HB3 HIS B 32 18.650 6.483 3.748 1.00 5.69 H new ATOM 0 HD2 HIS B 32 20.881 4.087 3.917 1.00 6.53 H new ATOM 0 HE1 HIS B 32 19.275 3.365 7.775 1.00 7.12 H new ATOM 0 HE2 HIS B 32 21.261 2.962 6.236 1.00 7.14 H new ATOM 1686 N LEU B 33 15.457 7.180 2.796 1.00 5.34 N ATOM 1687 CA LEU B 33 14.704 7.669 1.644 1.00 5.40 C ATOM 1688 C LEU B 33 15.636 8.009 0.481 1.00 5.86 C ATOM 1689 O LEU B 33 16.296 9.049 0.480 1.00 6.33 O ATOM 1690 CB LEU B 33 13.875 8.894 2.043 1.00 5.56 C ATOM 1691 CG LEU B 33 12.817 9.338 1.024 1.00 5.46 C ATOM 1692 CD1 LEU B 33 11.882 10.368 1.643 1.00 5.60 C ATOM 1693 CD2 LEU B 33 13.476 9.900 -0.230 1.00 5.63 C ATOM 0 H LEU B 33 15.530 7.845 3.566 1.00 5.34 H new ATOM 0 HA LEU B 33 14.032 6.878 1.312 1.00 5.40 H new ATOM 0 HB2 LEU B 33 13.376 8.681 2.988 1.00 5.56 H new ATOM 0 HB3 LEU B 33 14.554 9.728 2.222 1.00 5.56 H new ATOM 0 HG LEU B 33 12.231 8.465 0.738 1.00 5.46 H new ATOM 0 HD11 LEU B 33 11.138 10.672 0.907 1.00 5.60 H new ATOM 0 HD12 LEU B 33 11.381 9.932 2.507 1.00 5.60 H new ATOM 0 HD13 LEU B 33 12.457 11.238 1.959 1.00 5.60 H new ATOM 0 HD21 LEU B 33 12.707 10.208 -0.938 1.00 5.63 H new ATOM 0 HD22 LEU B 33 14.090 10.760 0.036 1.00 5.63 H new ATOM 0 HD23 LEU B 33 14.103 9.134 -0.686 1.00 5.63 H new ATOM 1705 N ILE B 34 15.687 7.112 -0.496 1.00 5.75 N ATOM 1706 CA ILE B 34 16.517 7.306 -1.681 1.00 6.18 C ATOM 1707 C ILE B 34 15.825 8.216 -2.694 1.00 6.46 C ATOM 1708 O ILE B 34 16.300 9.315 -2.981 1.00 6.97 O ATOM 1709 CB ILE B 34 16.860 5.963 -2.368 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.778 5.122 -1.477 1.00 5.72 C ATOM 1711 CG2 ILE B 34 17.513 6.204 -3.727 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.184 3.803 -2.101 1.00 6.06 C ATOM 0 H ILE B 34 15.161 6.238 -0.492 1.00 5.75 H new ATOM 0 HA ILE B 34 17.440 7.774 -1.340 1.00 6.18 H new ATOM 0 HB ILE B 34 15.932 5.414 -2.525 1.00 5.96 H new ATOM 0 HG12 ILE B 34 18.675 5.697 -1.247 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.273 4.927 -0.531 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.746 5.247 -4.193 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.828 6.762 -4.366 1.00 6.44 H new ATOM 0 HG23 ILE B 34 18.431 6.776 -3.593 1.00 6.44 H new ATOM 0 HD11 ILE B 34 18.834 3.260 -1.414 1.00 6.06 H new ATOM 0 HD12 ILE B 34 17.294 3.208 -2.305 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.717 3.990 -3.033 1.00 6.06 H new ATOM 1724 N SER B 35 14.700 7.747 -3.229 1.00 6.18 N ATOM 1725 CA SER B 35 13.949 8.513 -4.221 1.00 6.50 C ATOM 1726 C SER B 35 12.465 8.148 -4.233 1.00 6.25 C ATOM 1727 O SER B 35 12.095 7.012 -4.535 1.00 5.79 O ATOM 1728 CB SER B 35 14.546 8.291 -5.613 1.00 6.64 C ATOM 1729 OG SER B 35 13.828 9.012 -6.600 1.00 7.03 O ATOM 0 H SER B 35 14.289 6.843 -2.993 1.00 6.18 H new ATOM 0 HA SER B 35 14.027 9.565 -3.945 1.00 6.50 H new ATOM 0 HB2 SER B 35 15.590 8.604 -5.618 1.00 6.64 H new ATOM 0 HB3 SER B 35 14.531 7.228 -5.853 1.00 6.64 H new ATOM 0 HG SER B 35 13.317 8.386 -7.155 1.00 7.03 H new ATOM 1735 N LYS B 36 11.621 9.124 -3.900 1.00 6.58 N ATOM 1736 CA LYS B 36 10.171 8.929 -3.891 1.00 6.47 C ATOM 1737 C LYS B 36 9.621 8.766 -5.309 1.00 6.70 C ATOM 1738 O LYS B 36 8.406 8.702 -5.503 1.00 6.67 O ATOM 1739 CB LYS B 36 9.482 10.115 -3.209 1.00 6.78 C ATOM 1740 CG LYS B 36 9.936 10.345 -1.775 1.00 6.60 C ATOM 1741 CD LYS B 36 9.393 11.654 -1.217 1.00 6.92 C ATOM 1742 CE LYS B 36 7.919 11.547 -0.862 1.00 7.04 C ATOM 1743 NZ LYS B 36 7.370 12.839 -0.369 1.00 7.52 N ATOM 0 H LYS B 36 11.918 10.062 -3.632 1.00 6.58 H new ATOM 0 HA LYS B 36 9.964 8.015 -3.334 1.00 6.47 H new ATOM 0 HB2 LYS B 36 9.672 11.017 -3.790 1.00 6.78 H new ATOM 0 HB3 LYS B 36 8.404 9.952 -3.218 1.00 6.78 H new ATOM 0 HG2 LYS B 36 9.603 9.517 -1.150 1.00 6.60 H new ATOM 0 HG3 LYS B 36 11.025 10.356 -1.735 1.00 6.60 H new ATOM 0 HD2 LYS B 36 9.961 11.935 -0.330 1.00 6.92 H new ATOM 0 HD3 LYS B 36 9.534 12.448 -1.950 1.00 6.92 H new ATOM 0 HE2 LYS B 36 7.357 11.225 -1.739 1.00 7.04 H new ATOM 0 HE3 LYS B 36 7.785 10.781 -0.098 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 6.363 12.723 -0.138 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 7.889 13.134 0.483 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 7.474 13.565 -1.107 1.00 7.52 H new ATOM 1757 N GLU B 37 10.519 8.694 -6.301 1.00 7.01 N ATOM 1758 CA GLU B 37 10.114 8.525 -7.694 1.00 7.29 C ATOM 1759 C GLU B 37 10.732 7.262 -8.284 1.00 7.12 C ATOM 1760 O GLU B 37 11.896 7.264 -8.691 1.00 7.28 O ATOM 1761 CB GLU B 37 10.544 9.746 -8.514 1.00 7.94 C ATOM 1762 CG GLU B 37 9.911 11.046 -8.046 1.00 8.15 C ATOM 1763 CD GLU B 37 10.448 12.258 -8.783 1.00 8.62 C ATOM 1764 OE1 GLU B 37 11.526 12.758 -8.397 1.00 8.93 O ATOM 1765 OE2 GLU B 37 9.792 12.707 -9.748 1.00 8.92 O ATOM 0 H GLU B 37 11.528 8.751 -6.160 1.00 7.01 H new ATOM 0 HA GLU B 37 9.029 8.430 -7.730 1.00 7.29 H new ATOM 0 HB2 GLU B 37 11.629 9.842 -8.466 1.00 7.94 H new ATOM 0 HB3 GLU B 37 10.284 9.581 -9.560 1.00 7.94 H new ATOM 0 HG2 GLU B 37 8.831 10.990 -8.185 1.00 8.15 H new ATOM 0 HG3 GLU B 37 10.089 11.168 -6.977 1.00 8.15 H new ATOM 1772 N THR B 38 9.956 6.180 -8.319 1.00 6.83 N ATOM 1773 CA THR B 38 10.434 4.909 -8.855 1.00 6.67 C ATOM 1774 C THR B 38 9.789 4.594 -10.199 1.00 7.05 C ATOM 1775 O THR B 38 10.087 3.570 -10.815 1.00 7.02 O ATOM 1776 CB THR B 38 10.128 3.753 -7.883 1.00 6.06 C ATOM 1777 OG1 THR B 38 8.711 3.559 -7.778 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.706 4.038 -6.506 1.00 5.76 C ATOM 0 H THR B 38 8.993 6.159 -7.982 1.00 6.83 H new ATOM 0 HA THR B 38 11.512 5.007 -8.986 1.00 6.67 H new ATOM 0 HB THR B 38 10.590 2.847 -8.276 1.00 6.06 H new ATOM 0 HG1 THR B 38 8.389 3.950 -6.939 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.478 3.209 -5.837 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.787 4.156 -6.582 1.00 5.76 H new ATOM 0 HG23 THR B 38 10.268 4.955 -6.110 1.00 5.76 H new ATOM 1786 N GLY B 39 8.900 5.479 -10.646 1.00 7.47 N ATOM 1787 CA GLY B 39 8.218 5.273 -11.911 1.00 7.90 C ATOM 1788 C GLY B 39 6.897 4.560 -11.721 1.00 7.94 C ATOM 1789 O GLY B 39 6.142 4.362 -12.675 1.00 8.42 O ATOM 0 H GLY B 39 8.641 6.334 -10.154 1.00 7.47 H new ATOM 0 HA2 GLY B 39 8.047 6.235 -12.394 1.00 7.90 H new ATOM 0 HA3 GLY B 39 8.854 4.691 -12.578 1.00 7.90 H new ATOM 1793 N GLU B 40 6.624 4.169 -10.474 1.00 7.48 N ATOM 1794 CA GLU B 40 5.391 3.475 -10.126 1.00 7.53 C ATOM 1795 C GLU B 40 4.712 4.148 -8.938 1.00 7.35 C ATOM 1796 O GLU B 40 5.303 4.270 -7.862 1.00 6.94 O ATOM 1797 CB GLU B 40 5.693 2.012 -9.785 1.00 7.20 C ATOM 1798 CG GLU B 40 5.964 1.139 -10.999 1.00 7.44 C ATOM 1799 CD GLU B 40 4.701 0.803 -11.770 1.00 7.63 C ATOM 1800 OE1 GLU B 40 3.998 -0.149 -11.369 1.00 7.73 O ATOM 1801 OE2 GLU B 40 4.416 1.489 -12.773 1.00 7.96 O ATOM 0 H GLU B 40 7.250 4.325 -9.684 1.00 7.48 H new ATOM 0 HA GLU B 40 4.719 3.517 -10.983 1.00 7.53 H new ATOM 0 HB2 GLU B 40 6.558 1.975 -9.123 1.00 7.20 H new ATOM 0 HB3 GLU B 40 4.850 1.597 -9.232 1.00 7.20 H new ATOM 0 HG2 GLU B 40 6.664 1.650 -11.660 1.00 7.44 H new ATOM 0 HG3 GLU B 40 6.446 0.215 -10.678 1.00 7.44 H new ATOM 1808 N ALA B 41 3.473 4.589 -9.137 1.00 7.70 N ATOM 1809 CA ALA B 41 2.708 5.236 -8.076 1.00 7.61 C ATOM 1810 C ALA B 41 2.534 4.292 -6.891 1.00 7.15 C ATOM 1811 O ALA B 41 2.180 3.130 -7.063 1.00 7.30 O ATOM 1812 CB ALA B 41 1.349 5.679 -8.600 1.00 8.20 C ATOM 0 H ALA B 41 2.977 4.510 -10.025 1.00 7.70 H new ATOM 0 HA ALA B 41 3.258 6.115 -7.741 1.00 7.61 H new ATOM 0 HB1 ALA B 41 0.789 6.160 -7.798 1.00 8.20 H new ATOM 0 HB2 ALA B 41 1.487 6.384 -9.420 1.00 8.20 H new ATOM 0 HB3 ALA B 41 0.796 4.810 -8.958 1.00 8.20 H new ATOM 1818 N GLY B 42 2.781 4.806 -5.689 1.00 6.68 N ATOM 1819 CA GLY B 42 2.672 3.991 -4.492 1.00 6.22 C ATOM 1820 C GLY B 42 3.967 3.269 -4.164 1.00 5.64 C ATOM 1821 O GLY B 42 4.027 2.518 -3.188 1.00 5.21 O ATOM 0 H GLY B 42 3.055 5.774 -5.523 1.00 6.68 H new ATOM 0 HA2 GLY B 42 2.388 4.623 -3.650 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.875 3.260 -4.625 1.00 6.22 H new ATOM 1825 N TRP B 43 5.006 3.489 -4.972 1.00 5.67 N ATOM 1826 CA TRP B 43 6.296 2.834 -4.749 1.00 5.17 C ATOM 1827 C TRP B 43 7.409 3.854 -4.531 1.00 5.12 C ATOM 1828 O TRP B 43 7.657 4.711 -5.381 1.00 5.51 O ATOM 1829 CB TRP B 43 6.672 1.949 -5.941 1.00 5.28 C ATOM 1830 CG TRP B 43 5.795 0.748 -6.120 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.604 0.697 -6.780 1.00 5.83 C ATOM 1832 CD2 TRP B 43 6.051 -0.580 -5.648 1.00 4.91 C ATOM 1833 NE1 TRP B 43 4.104 -0.582 -6.751 1.00 5.80 N ATOM 1834 CE2 TRP B 43 4.972 -1.384 -6.060 1.00 5.25 C ATOM 1835 CE3 TRP B 43 7.086 -1.168 -4.917 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 4.900 -2.742 -5.767 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 7.013 -2.516 -4.625 1.00 4.21 C ATOM 1838 CH2 TRP B 43 5.927 -3.291 -5.051 1.00 4.58 C ATOM 0 H TRP B 43 4.980 4.111 -5.780 1.00 5.67 H new ATOM 0 HA TRP B 43 6.189 2.222 -3.853 1.00 5.17 H new ATOM 0 HB2 TRP B 43 6.635 2.550 -6.850 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.703 1.616 -5.820 1.00 5.28 H new ATOM 0 HD1 TRP B 43 4.124 1.539 -7.256 1.00 5.83 H new ATOM 0 HE1 TRP B 43 3.228 -0.885 -7.176 1.00 5.80 H new ATOM 0 HE3 TRP B 43 7.928 -0.579 -4.586 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 4.063 -3.341 -6.093 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 7.807 -2.980 -4.059 1.00 4.21 H new ATOM 0 HH2 TRP B 43 5.900 -4.343 -4.809 1.00 4.58 H new ATOM 1849 N TRP B 44 8.076 3.748 -3.379 1.00 4.72 N ATOM 1850 CA TRP B 44 9.191 4.626 -3.040 1.00 4.75 C ATOM 1851 C TRP B 44 10.480 3.815 -3.034 1.00 4.41 C ATOM 1852 O TRP B 44 10.438 2.586 -2.970 1.00 3.96 O ATOM 1853 CB TRP B 44 8.978 5.259 -1.662 1.00 4.63 C ATOM 1854 CG TRP B 44 8.017 6.410 -1.657 1.00 5.05 C ATOM 1855 CD1 TRP B 44 7.385 6.967 -2.732 1.00 5.56 C ATOM 1856 CD2 TRP B 44 7.587 7.151 -0.510 1.00 5.06 C ATOM 1857 NE1 TRP B 44 6.589 8.008 -2.322 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.694 8.140 -0.963 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.868 7.072 0.857 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 6.083 9.043 -0.097 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 7.261 7.969 1.716 1.00 4.91 C ATOM 1862 CH2 TRP B 44 6.378 8.943 1.236 1.00 5.40 C ATOM 0 H TRP B 44 7.858 3.056 -2.662 1.00 4.72 H new ATOM 0 HA TRP B 44 9.254 5.422 -3.782 1.00 4.75 H new ATOM 0 HB2 TRP B 44 8.615 4.494 -0.975 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.939 5.601 -1.279 1.00 4.63 H new ATOM 0 HD1 TRP B 44 7.495 6.637 -3.754 1.00 5.56 H new ATOM 0 HE1 TRP B 44 6.013 8.589 -2.931 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.548 6.323 1.236 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 5.401 9.795 -0.464 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.471 7.917 2.774 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.920 9.630 1.932 1.00 5.40 H new ATOM 1873 N LYS B 45 11.624 4.494 -3.096 1.00 4.69 N ATOM 1874 CA LYS B 45 12.908 3.805 -3.096 1.00 4.50 C ATOM 1875 C LYS B 45 13.698 4.157 -1.847 1.00 4.49 C ATOM 1876 O LYS B 45 13.842 5.330 -1.502 1.00 4.93 O ATOM 1877 CB LYS B 45 13.717 4.172 -4.343 1.00 4.91 C ATOM 1878 CG LYS B 45 14.935 3.285 -4.562 1.00 4.77 C ATOM 1879 CD LYS B 45 15.634 3.612 -5.873 1.00 5.23 C ATOM 1880 CE LYS B 45 16.794 2.664 -6.140 1.00 5.18 C ATOM 1881 NZ LYS B 45 17.845 2.757 -5.089 1.00 5.33 N ATOM 0 H LYS B 45 11.686 5.511 -3.146 1.00 4.69 H new ATOM 0 HA LYS B 45 12.718 2.732 -3.105 1.00 4.50 H new ATOM 0 HB2 LYS B 45 13.070 4.108 -5.218 1.00 4.91 H new ATOM 0 HB3 LYS B 45 14.043 5.209 -4.262 1.00 4.91 H new ATOM 0 HG2 LYS B 45 15.633 3.413 -3.735 1.00 4.77 H new ATOM 0 HG3 LYS B 45 14.629 2.239 -4.563 1.00 4.77 H new ATOM 0 HD2 LYS B 45 14.918 3.552 -6.693 1.00 5.23 H new ATOM 0 HD3 LYS B 45 16.001 4.638 -5.845 1.00 5.23 H new ATOM 0 HE2 LYS B 45 16.422 1.641 -6.190 1.00 5.18 H new ATOM 0 HE3 LYS B 45 17.232 2.892 -7.112 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 18.583 2.048 -5.273 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 18.267 3.708 -5.103 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 17.420 2.581 -4.156 1.00 5.33 H new ATOM 1895 N GLY B 46 14.192 3.129 -1.167 1.00 4.06 N ATOM 1896 CA GLY B 46 14.963 3.344 0.039 1.00 4.14 C ATOM 1897 C GLY B 46 16.108 2.365 0.172 1.00 4.03 C ATOM 1898 O GLY B 46 16.274 1.482 -0.672 1.00 3.73 O ATOM 0 H GLY B 46 14.071 2.151 -1.431 1.00 4.06 H new ATOM 0 HA2 GLY B 46 15.356 4.361 0.040 1.00 4.14 H new ATOM 0 HA3 GLY B 46 14.309 3.254 0.906 1.00 4.14 H new ATOM 1902 N GLU B 47 16.907 2.520 1.227 1.00 4.35 N ATOM 1903 CA GLU B 47 18.030 1.622 1.466 1.00 4.42 C ATOM 1904 C GLU B 47 17.946 1.011 2.857 1.00 4.29 C ATOM 1905 O GLU B 47 17.705 1.704 3.847 1.00 4.48 O ATOM 1906 CB GLU B 47 19.365 2.348 1.292 1.00 5.05 C ATOM 1907 CG GLU B 47 20.573 1.426 1.375 1.00 5.29 C ATOM 1908 CD GLU B 47 21.886 2.179 1.287 1.00 5.65 C ATOM 1909 OE1 GLU B 47 22.376 2.387 0.157 1.00 5.74 O ATOM 1910 OE2 GLU B 47 22.426 2.561 2.347 1.00 6.02 O ATOM 0 H GLU B 47 16.797 3.256 1.925 1.00 4.35 H new ATOM 0 HA GLU B 47 17.975 0.822 0.727 1.00 4.42 H new ATOM 0 HB2 GLU B 47 19.371 2.855 0.327 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.453 3.119 2.058 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.538 0.871 2.312 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.523 0.694 0.569 1.00 5.29 H new ATOM 1917 N LEU B 48 18.151 -0.295 2.907 1.00 4.02 N ATOM 1918 CA LEU B 48 18.129 -1.050 4.149 1.00 3.99 C ATOM 1919 C LEU B 48 19.413 -1.866 4.265 1.00 4.21 C ATOM 1920 O LEU B 48 20.167 -1.948 3.308 1.00 4.01 O ATOM 1921 CB LEU B 48 16.885 -1.943 4.234 1.00 3.43 C ATOM 1922 CG LEU B 48 16.695 -2.690 5.561 1.00 3.46 C ATOM 1923 CD1 LEU B 48 16.588 -1.714 6.723 1.00 3.78 C ATOM 1924 CD2 LEU B 48 15.465 -3.580 5.496 1.00 2.98 C ATOM 0 H LEU B 48 18.339 -0.865 2.082 1.00 4.02 H new ATOM 0 HA LEU B 48 18.076 -0.356 4.988 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.004 -1.326 4.055 1.00 3.43 H new ATOM 0 HB3 LEU B 48 16.930 -2.676 3.428 1.00 3.43 H new ATOM 0 HG LEU B 48 17.570 -3.318 5.727 1.00 3.46 H new ATOM 0 HD11 LEU B 48 16.454 -2.268 7.652 1.00 3.78 H new ATOM 0 HD12 LEU B 48 17.499 -1.119 6.784 1.00 3.78 H new ATOM 0 HD13 LEU B 48 15.734 -1.055 6.567 1.00 3.78 H new ATOM 0 HD21 LEU B 48 15.344 -4.103 6.445 1.00 2.98 H new ATOM 0 HD22 LEU B 48 14.583 -2.969 5.303 1.00 2.98 H new ATOM 0 HD23 LEU B 48 15.584 -4.308 4.693 1.00 2.98 H new ATOM 1936 N ASN B 49 19.629 -2.447 5.446 1.00 4.70 N ATOM 1937 CA ASN B 49 20.834 -3.231 5.781 1.00 5.05 C ATOM 1938 C ASN B 49 21.659 -3.719 4.572 1.00 5.24 C ATOM 1939 O ASN B 49 21.772 -4.922 4.330 1.00 5.39 O ATOM 1940 CB ASN B 49 20.407 -4.446 6.611 1.00 4.80 C ATOM 1941 CG ASN B 49 19.606 -4.057 7.842 1.00 4.86 C ATOM 1942 OD1 ASN B 49 19.818 -2.994 8.425 1.00 5.32 O ATOM 1943 ND2 ASN B 49 18.676 -4.918 8.241 1.00 4.62 N ATOM 0 H ASN B 49 18.963 -2.389 6.216 1.00 4.70 H new ATOM 0 HA ASN B 49 21.490 -2.555 6.329 1.00 5.05 H new ATOM 0 HB2 ASN B 49 19.811 -5.115 5.990 1.00 4.80 H new ATOM 0 HB3 ASN B 49 21.293 -5.001 6.919 1.00 4.80 H new ATOM 0 HD21 ASN B 49 18.105 -4.709 9.060 1.00 4.62 H new ATOM 0 HD22 ASN B 49 18.533 -5.788 7.728 1.00 4.62 H new ATOM 1950 N GLY B 50 22.225 -2.771 3.815 1.00 5.30 N ATOM 1951 CA GLY B 50 23.080 -3.112 2.681 1.00 5.53 C ATOM 1952 C GLY B 50 22.341 -3.367 1.373 1.00 5.10 C ATOM 1953 O GLY B 50 22.979 -3.463 0.323 1.00 5.29 O ATOM 0 H GLY B 50 22.105 -1.770 3.969 1.00 5.30 H new ATOM 0 HA2 GLY B 50 23.793 -2.302 2.526 1.00 5.53 H new ATOM 0 HA3 GLY B 50 23.657 -4.001 2.934 1.00 5.53 H new ATOM 1957 N LYS B 51 21.016 -3.479 1.412 1.00 4.57 N ATOM 1958 CA LYS B 51 20.239 -3.709 0.191 1.00 4.17 C ATOM 1959 C LYS B 51 19.450 -2.460 -0.199 1.00 3.96 C ATOM 1960 O LYS B 51 19.104 -1.641 0.649 1.00 3.78 O ATOM 1961 CB LYS B 51 19.289 -4.900 0.371 1.00 3.78 C ATOM 1962 CG LYS B 51 19.978 -6.256 0.333 1.00 4.06 C ATOM 1963 CD LYS B 51 20.895 -6.464 1.532 1.00 4.39 C ATOM 1964 CE LYS B 51 21.482 -7.867 1.553 1.00 4.78 C ATOM 1965 NZ LYS B 51 20.430 -8.910 1.712 1.00 5.33 N ATOM 0 H LYS B 51 20.460 -3.416 2.265 1.00 4.57 H new ATOM 0 HA LYS B 51 20.939 -3.938 -0.613 1.00 4.17 H new ATOM 0 HB2 LYS B 51 18.769 -4.795 1.323 1.00 3.78 H new ATOM 0 HB3 LYS B 51 18.531 -4.868 -0.412 1.00 3.78 H new ATOM 0 HG2 LYS B 51 19.226 -7.044 0.311 1.00 4.06 H new ATOM 0 HG3 LYS B 51 20.558 -6.343 -0.586 1.00 4.06 H new ATOM 0 HD2 LYS B 51 21.702 -5.732 1.504 1.00 4.39 H new ATOM 0 HD3 LYS B 51 20.337 -6.289 2.452 1.00 4.39 H new ATOM 0 HE2 LYS B 51 22.031 -8.044 0.628 1.00 4.78 H new ATOM 0 HE3 LYS B 51 22.199 -7.948 2.370 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 20.872 -9.809 1.991 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 19.755 -8.613 2.446 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 19.927 -9.037 0.810 1.00 5.33 H new ATOM 1979 N GLU B 52 19.182 -2.323 -1.495 1.00 4.08 N ATOM 1980 CA GLU B 52 18.412 -1.201 -2.036 1.00 4.05 C ATOM 1981 C GLU B 52 17.247 -1.749 -2.856 1.00 3.71 C ATOM 1982 O GLU B 52 17.390 -2.756 -3.552 1.00 3.93 O ATOM 1983 CB GLU B 52 19.296 -0.286 -2.893 1.00 4.59 C ATOM 1984 CG GLU B 52 20.204 -1.028 -3.865 1.00 4.83 C ATOM 1985 CD GLU B 52 21.283 -1.835 -3.165 1.00 5.32 C ATOM 1986 OE1 GLU B 52 22.116 -1.228 -2.458 1.00 5.49 O ATOM 1987 OE2 GLU B 52 21.295 -3.075 -3.321 1.00 5.79 O ATOM 0 H GLU B 52 19.493 -2.988 -2.204 1.00 4.08 H new ATOM 0 HA GLU B 52 18.027 -0.601 -1.211 1.00 4.05 H new ATOM 0 HB2 GLU B 52 18.657 0.394 -3.457 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.911 0.327 -2.234 1.00 4.59 H new ATOM 0 HG2 GLU B 52 19.601 -1.695 -4.481 1.00 4.83 H new ATOM 0 HG3 GLU B 52 20.673 -0.309 -4.537 1.00 4.83 H new ATOM 1994 N GLY B 53 16.088 -1.083 -2.773 1.00 3.32 N ATOM 1995 CA GLY B 53 14.935 -1.520 -3.544 1.00 3.12 C ATOM 1996 C GLY B 53 13.712 -0.649 -3.331 1.00 3.18 C ATOM 1997 O GLY B 53 13.794 0.404 -2.696 1.00 3.35 O ATOM 0 H GLY B 53 15.932 -0.259 -2.192 1.00 3.32 H new ATOM 0 HA2 GLY B 53 15.193 -1.521 -4.603 1.00 3.12 H new ATOM 0 HA3 GLY B 53 14.693 -2.548 -3.274 1.00 3.12 H new ATOM 2001 N VAL B 54 12.569 -1.095 -3.865 1.00 3.17 N ATOM 2002 CA VAL B 54 11.321 -0.346 -3.735 1.00 3.38 C ATOM 2003 C VAL B 54 10.331 -1.083 -2.843 1.00 3.02 C ATOM 2004 O VAL B 54 10.354 -2.310 -2.759 1.00 2.70 O ATOM 2005 CB VAL B 54 10.669 -0.099 -5.112 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.600 0.704 -6.008 1.00 4.30 C ATOM 2007 CG2 VAL B 54 10.290 -1.420 -5.772 1.00 3.70 C ATOM 0 H VAL B 54 12.486 -1.967 -4.388 1.00 3.17 H new ATOM 0 HA VAL B 54 11.572 0.613 -3.282 1.00 3.38 H new ATOM 0 HB VAL B 54 9.757 0.479 -4.962 1.00 3.83 H new ATOM 0 HG11 VAL B 54 11.123 0.868 -6.974 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.815 1.665 -5.541 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.530 0.155 -6.151 1.00 4.30 H new ATOM 0 HG21 VAL B 54 9.832 -1.224 -6.741 1.00 3.70 H new ATOM 0 HG22 VAL B 54 11.184 -2.028 -5.909 1.00 3.70 H new ATOM 0 HG23 VAL B 54 9.582 -1.954 -5.138 1.00 3.70 H new ATOM 2017 N PHE B 55 9.462 -0.325 -2.170 1.00 3.13 N ATOM 2018 CA PHE B 55 8.475 -0.926 -1.282 1.00 2.90 C ATOM 2019 C PHE B 55 7.064 -0.382 -1.531 1.00 3.35 C ATOM 2020 O PHE B 55 6.878 0.813 -1.761 1.00 3.72 O ATOM 2021 CB PHE B 55 8.875 -0.679 0.174 1.00 2.46 C ATOM 2022 CG PHE B 55 9.072 0.773 0.511 1.00 2.71 C ATOM 2023 CD1 PHE B 55 10.285 1.398 0.259 1.00 3.05 C ATOM 2024 CD2 PHE B 55 8.048 1.512 1.081 1.00 2.88 C ATOM 2025 CE1 PHE B 55 10.470 2.730 0.571 1.00 3.42 C ATOM 2026 CE2 PHE B 55 8.228 2.844 1.394 1.00 3.20 C ATOM 2027 CZ PHE B 55 9.442 3.455 1.139 1.00 3.42 C ATOM 0 H PHE B 55 9.424 0.693 -2.224 1.00 3.13 H new ATOM 0 HA PHE B 55 8.454 -1.996 -1.489 1.00 2.90 H new ATOM 0 HB2 PHE B 55 8.107 -1.093 0.827 1.00 2.46 H new ATOM 0 HB3 PHE B 55 9.798 -1.220 0.384 1.00 2.46 H new ATOM 0 HD1 PHE B 55 11.093 0.836 -0.186 1.00 3.05 H new ATOM 0 HD2 PHE B 55 7.098 1.040 1.283 1.00 2.88 H new ATOM 0 HE1 PHE B 55 11.419 3.205 0.371 1.00 3.42 H new ATOM 0 HE2 PHE B 55 7.421 3.409 1.838 1.00 3.20 H new ATOM 0 HZ PHE B 55 9.585 4.497 1.384 1.00 3.42 H new ATOM 2037 N PRO B 56 6.053 -1.277 -1.489 1.00 3.43 N ATOM 2038 CA PRO B 56 4.647 -0.937 -1.669 1.00 3.90 C ATOM 2039 C PRO B 56 3.932 -0.787 -0.332 1.00 3.87 C ATOM 2040 O PRO B 56 4.509 -1.032 0.727 1.00 3.45 O ATOM 2041 CB PRO B 56 4.115 -2.151 -2.415 1.00 3.97 C ATOM 2042 CG PRO B 56 4.928 -3.300 -1.906 1.00 3.68 C ATOM 2043 CD PRO B 56 6.200 -2.731 -1.308 1.00 3.17 C ATOM 0 HA PRO B 56 4.499 0.010 -2.187 1.00 3.90 H new ATOM 0 HB2 PRO B 56 3.053 -2.301 -2.220 1.00 3.97 H new ATOM 0 HB3 PRO B 56 4.228 -2.034 -3.493 1.00 3.97 H new ATOM 0 HG2 PRO B 56 4.370 -3.862 -1.157 1.00 3.68 H new ATOM 0 HG3 PRO B 56 5.161 -3.992 -2.715 1.00 3.68 H new ATOM 0 HD2 PRO B 56 6.300 -2.995 -0.255 1.00 3.17 H new ATOM 0 HD3 PRO B 56 7.086 -3.110 -1.817 1.00 3.17 H new ATOM 2051 N ASP B 57 2.671 -0.359 -0.411 1.00 4.36 N ATOM 2052 CA ASP B 57 1.799 -0.239 0.756 1.00 4.47 C ATOM 2053 C ASP B 57 2.044 1.001 1.601 1.00 4.41 C ATOM 2054 O ASP B 57 1.243 1.297 2.489 1.00 4.40 O ATOM 2055 CB ASP B 57 1.936 -1.477 1.643 1.00 5.09 C ATOM 2056 CG ASP B 57 1.759 -2.770 0.869 1.00 5.56 C ATOM 2057 OD1 ASP B 57 0.604 -3.106 0.530 1.00 5.83 O ATOM 2058 OD2 ASP B 57 2.774 -3.448 0.601 1.00 5.85 O ATOM 0 H ASP B 57 2.226 -0.086 -1.287 1.00 4.36 H new ATOM 0 HA ASP B 57 0.790 -0.148 0.354 1.00 4.47 H new ATOM 0 HB2 ASP B 57 2.917 -1.473 2.117 1.00 5.09 H new ATOM 0 HB3 ASP B 57 1.196 -1.431 2.442 1.00 5.09 H new ATOM 2063 N ASN B 58 3.122 1.727 1.356 1.00 4.46 N ATOM 2064 CA ASN B 58 3.430 2.916 2.142 1.00 4.51 C ATOM 2065 C ASN B 58 3.554 2.553 3.622 1.00 3.97 C ATOM 2066 O ASN B 58 3.323 3.384 4.502 1.00 4.05 O ATOM 2067 CB ASN B 58 2.355 3.988 1.938 1.00 4.96 C ATOM 2068 CG ASN B 58 2.206 4.382 0.480 1.00 5.23 C ATOM 2069 OD1 ASN B 58 1.419 3.788 -0.257 1.00 5.40 O ATOM 2070 ND2 ASN B 58 2.964 5.387 0.056 1.00 5.67 N ATOM 0 H ASN B 58 3.798 1.517 0.622 1.00 4.46 H new ATOM 0 HA ASN B 58 4.384 3.321 1.803 1.00 4.51 H new ATOM 0 HB2 ASN B 58 1.400 3.618 2.312 1.00 4.96 H new ATOM 0 HB3 ASN B 58 2.608 4.870 2.527 1.00 4.96 H new ATOM 0 HD21 ASN B 58 2.907 5.694 -0.915 1.00 5.67 H new ATOM 0 HD22 ASN B 58 3.603 5.851 0.701 1.00 5.67 H new ATOM 2077 N PHE B 59 3.919 1.295 3.878 1.00 3.50 N ATOM 2078 CA PHE B 59 4.096 0.774 5.236 1.00 3.01 C ATOM 2079 C PHE B 59 5.106 1.573 6.061 1.00 2.75 C ATOM 2080 O PHE B 59 5.402 1.210 7.199 1.00 2.44 O ATOM 2081 CB PHE B 59 4.568 -0.686 5.171 1.00 2.72 C ATOM 2082 CG PHE B 59 3.486 -1.682 4.837 1.00 3.03 C ATOM 2083 CD1 PHE B 59 2.212 -1.565 5.378 1.00 3.42 C ATOM 2084 CD2 PHE B 59 3.751 -2.746 3.989 1.00 3.42 C ATOM 2085 CE1 PHE B 59 1.229 -2.489 5.077 1.00 3.79 C ATOM 2086 CE2 PHE B 59 2.771 -3.672 3.685 1.00 3.86 C ATOM 2087 CZ PHE B 59 1.509 -3.543 4.230 1.00 3.89 C ATOM 0 H PHE B 59 4.101 0.607 3.148 1.00 3.50 H new ATOM 0 HA PHE B 59 3.127 0.857 5.728 1.00 3.01 H new ATOM 0 HB2 PHE B 59 5.359 -0.765 4.425 1.00 2.72 H new ATOM 0 HB3 PHE B 59 5.007 -0.955 6.132 1.00 2.72 H new ATOM 0 HD1 PHE B 59 1.987 -0.743 6.041 1.00 3.42 H new ATOM 0 HD2 PHE B 59 4.736 -2.853 3.560 1.00 3.42 H new ATOM 0 HE1 PHE B 59 0.242 -2.387 5.504 1.00 3.79 H new ATOM 0 HE2 PHE B 59 2.992 -4.495 3.022 1.00 3.86 H new ATOM 0 HZ PHE B 59 0.742 -4.266 3.994 1.00 3.89 H new ATOM 2097 N ALA B 60 5.625 2.658 5.499 1.00 3.02 N ATOM 2098 CA ALA B 60 6.616 3.467 6.201 1.00 3.01 C ATOM 2099 C ALA B 60 6.253 4.947 6.206 1.00 3.51 C ATOM 2100 O ALA B 60 5.790 5.488 5.201 1.00 3.89 O ATOM 2101 CB ALA B 60 7.989 3.262 5.580 1.00 2.92 C ATOM 0 H ALA B 60 5.380 2.996 4.568 1.00 3.02 H new ATOM 0 HA ALA B 60 6.633 3.136 7.240 1.00 3.01 H new ATOM 0 HB1 ALA B 60 8.722 3.870 6.110 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.268 2.211 5.653 1.00 2.92 H new ATOM 0 HB3 ALA B 60 7.962 3.559 4.531 1.00 2.92 H new ATOM 2107 N VAL B 61 6.468 5.592 7.347 1.00 3.59 N ATOM 2108 CA VAL B 61 6.167 7.011 7.499 1.00 4.08 C ATOM 2109 C VAL B 61 7.436 7.828 7.729 1.00 4.32 C ATOM 2110 O VAL B 61 8.238 7.505 8.607 1.00 4.19 O ATOM 2111 CB VAL B 61 5.179 7.252 8.663 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.758 6.757 9.982 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.802 8.725 8.755 1.00 4.64 C ATOM 0 H VAL B 61 6.851 5.153 8.184 1.00 3.59 H new ATOM 0 HA VAL B 61 5.703 7.339 6.569 1.00 4.08 H new ATOM 0 HB VAL B 61 4.273 6.681 8.460 1.00 4.13 H new ATOM 0 HG11 VAL B 61 5.043 6.939 10.784 1.00 3.91 H new ATOM 0 HG12 VAL B 61 5.961 5.688 9.912 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.685 7.289 10.195 1.00 3.91 H new ATOM 0 HG21 VAL B 61 4.106 8.872 9.581 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.699 9.320 8.926 1.00 4.64 H new ATOM 0 HG23 VAL B 61 4.331 9.039 7.824 1.00 4.64 H new ATOM 2123 N GLN B 62 7.622 8.885 6.927 1.00 4.79 N ATOM 2124 CA GLN B 62 8.794 9.747 7.058 1.00 5.14 C ATOM 2125 C GLN B 62 8.934 10.256 8.492 1.00 5.36 C ATOM 2126 O GLN B 62 7.958 10.315 9.241 1.00 5.56 O ATOM 2127 CB GLN B 62 8.702 10.928 6.085 1.00 5.63 C ATOM 2128 CG GLN B 62 9.917 11.845 6.115 1.00 6.02 C ATOM 2129 CD GLN B 62 9.897 12.880 5.007 1.00 6.30 C ATOM 2130 OE1 GLN B 62 9.381 13.984 5.182 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.458 12.526 3.857 1.00 6.72 N ATOM 0 H GLN B 62 6.977 9.159 6.186 1.00 4.79 H new ATOM 0 HA GLN B 62 9.678 9.158 6.813 1.00 5.14 H new ATOM 0 HB2 GLN B 62 8.573 10.544 5.073 1.00 5.63 H new ATOM 0 HB3 GLN B 62 7.812 11.512 6.320 1.00 5.63 H new ATOM 0 HG2 GLN B 62 9.961 12.352 7.079 1.00 6.02 H new ATOM 0 HG3 GLN B 62 10.823 11.244 6.029 1.00 6.02 H new ATOM 0 HE21 GLN B 62 10.874 11.600 3.756 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.473 13.180 3.074 1.00 6.72 H new ATOM 2140 N ILE B 63 10.158 10.626 8.859 1.00 5.39 N ATOM 2141 CA ILE B 63 10.447 11.142 10.194 1.00 5.68 C ATOM 2142 C ILE B 63 10.857 12.608 10.121 1.00 6.23 C ATOM 2143 O ILE B 63 10.579 13.390 11.031 1.00 6.54 O ATOM 2144 CB ILE B 63 11.571 10.332 10.877 1.00 5.55 C ATOM 2145 CG1 ILE B 63 11.183 8.853 10.960 1.00 5.23 C ATOM 2146 CG2 ILE B 63 11.865 10.890 12.264 1.00 5.71 C ATOM 2147 CD1 ILE B 63 12.298 7.954 11.454 1.00 5.25 C ATOM 0 H ILE B 63 10.971 10.577 8.245 1.00 5.39 H new ATOM 0 HA ILE B 63 9.537 11.046 10.786 1.00 5.68 H new ATOM 0 HB ILE B 63 12.477 10.418 10.277 1.00 5.55 H new ATOM 0 HG12 ILE B 63 10.325 8.749 11.624 1.00 5.23 H new ATOM 0 HG13 ILE B 63 10.866 8.514 9.974 1.00 5.23 H new ATOM 0 HG21 ILE B 63 12.659 10.307 12.730 1.00 5.71 H new ATOM 0 HG22 ILE B 63 12.181 11.930 12.178 1.00 5.71 H new ATOM 0 HG23 ILE B 63 10.966 10.833 12.877 1.00 5.71 H new ATOM 0 HD11 ILE B 63 11.947 6.923 11.485 1.00 5.25 H new ATOM 0 HD12 ILE B 63 13.150 8.027 10.778 1.00 5.25 H new ATOM 0 HD13 ILE B 63 12.600 8.265 12.454 1.00 5.25 H new ATOM 2159 N SER B 64 11.521 12.971 9.025 1.00 6.41 N ATOM 2160 CA SER B 64 11.974 14.341 8.811 1.00 6.97 C ATOM 2161 C SER B 64 12.084 14.642 7.316 1.00 7.20 C ATOM 2162 O SER B 64 12.955 14.041 6.652 1.00 7.43 O ATOM 2163 CB SER B 64 13.321 14.573 9.502 1.00 7.23 C ATOM 2164 OG SER B 64 14.305 13.669 9.027 1.00 7.19 O ATOM 2165 OXT SER B 64 11.297 15.475 6.823 1.00 7.37 O ATOM 0 H SER B 64 11.758 12.330 8.268 1.00 6.41 H new ATOM 0 HA SER B 64 11.239 15.018 9.247 1.00 6.97 H new ATOM 0 HB2 SER B 64 13.650 15.597 9.327 1.00 7.23 H new ATOM 0 HB3 SER B 64 13.205 14.455 10.579 1.00 7.23 H new ATOM 0 HG SER B 64 14.116 13.441 8.093 1.00 7.19 H new TER 2171 SER B 64