USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1376 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 114 CYS SG : rot 100:sc= 0.454 USER MOD Set 1.2: A 120 GLN : amide:sc= -6.21! C(o=-5.8!,f=-13!) USER MOD Set 2.1: A 106 GLN : amide:sc= -6.02! C(o=-8.8!,f=-6.3!) USER MOD Set 2.2: A 108 TYR OH : rot 179:sc= -2.74! USER MOD Set 3.1: A 96 GLN : amide:sc= -1.49 K(o=-1.1,f=-4.4) USER MOD Set 3.2: A 130 LYS NZ :NH3+ -138:sc= 0.411 (180deg=0) USER MOD Set 4.1: A 69 TYR OH : rot 15:sc= 0.825 USER MOD Set 4.2: A 70 GLN : amide:sc= 0.944 K(o=1.8,f=1.2!) USER MOD Set 5.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 58 MET CE :methyl 166:sc= -2.24 (180deg=-2.97!) USER MOD Set 6.1: A 20 TYR OH : rot -125:sc= 0.0604 USER MOD Set 6.2: A 22 CYS SG : rot -95:sc= 0.6 USER MOD Set 6.3: A 26 CYS SG : rot 160:sc= -0.682 USER MOD Set 7.1: A 8 SER OG : rot -127:sc= -1.57! USER MOD Set 7.2: A 10 TYR OH : rot 165:sc= -1.89 USER MOD Single : A 1 SER N :NH3+ -103:sc= 0.0242 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.79! C(o=-2.8!,f=-5.5!) USER MOD Single : A 16 GLN : amide:sc= -0.987 K(o=-0.99,f=0) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.405! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -31:sc= 0.169 USER MOD Single : A 36 CYS SG : rot -152:sc= -2.86! USER MOD Single : A 37 ASN : amide:sc= -14.5! C(o=-15!,f=-18!) USER MOD Single : A 38 SER OG : rot 59:sc= 0.607 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.53) USER MOD Single : A 55 SER OG : rot 180:sc= -0.228 USER MOD Single : A 57 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-5.2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.41! C(o=-3.4!,f=-0.8!) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00366 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0939! C(o=-0.094!,f=-12!) USER MOD Single : A 81 SER OG : rot -100:sc= -0.0612 USER MOD Single : A 82 CYS SG : rot 24:sc= -0.847 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.113 USER MOD Single : A 92 GLN : amide:sc= -4.55! C(o=-4.6!,f=-6.3!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -1.36 (180deg=-1.98) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.587 K(o=-0.59,f=-1.2) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -0.922 K(o=-0.92,f=-2.3!) USER MOD Single : A 127 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.28) USER MOD Single : A 128 SER OG : rot -114:sc= -1.91! USER MOD Single : A 129 CYS SG : rot 21:sc= 0.28 USER MOD Single : A 135 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 139 TYR OH : rot -157:sc= 0.916 USER MOD Single : A 143 ASN : amide:sc= -4.04! K(o=-4!,f=-1.6) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -2.15! K(o=-2.1!,f=-0.25) USER MOD Single : A 149 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.639 USER MOD Single : A 158 LYS NZ :NH3+ -166:sc= -0.0114 (180deg=-0.268) USER MOD Single : A 166 SER OG : rot 180:sc=-0.00323 USER MOD Single : A 170 GLN : amide:sc= -0.0569 X(o=-0.057,f=0.0045) USER MOD Single : A 171 SER OG : rot -137:sc= -0.655 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.033 -11.099 -7.539 1.00 4.50 N ATOM 2 CA SER A 1 -17.638 -12.303 -6.903 1.00 4.52 C ATOM 3 C SER A 1 -17.978 -11.993 -5.444 1.00 3.57 C ATOM 4 O SER A 1 -17.261 -11.283 -4.766 1.00 3.03 O ATOM 5 CB SER A 1 -16.642 -13.463 -6.960 1.00 4.81 C ATOM 6 OG SER A 1 -15.610 -13.240 -6.009 1.00 5.28 O ATOM 0 H1 SER A 1 -17.740 -10.633 -8.142 1.00 4.50 H new ATOM 0 H2 SER A 1 -16.718 -10.438 -6.801 1.00 4.50 H new ATOM 0 H3 SER A 1 -16.218 -11.385 -8.119 1.00 4.50 H new ATOM 0 HA SER A 1 -18.548 -12.578 -7.437 1.00 4.52 H new ATOM 0 HB2 SER A 1 -17.150 -14.404 -6.750 1.00 4.81 H new ATOM 0 HB3 SER A 1 -16.219 -13.546 -7.961 1.00 4.81 H new ATOM 0 HG SER A 1 -14.970 -13.982 -6.041 1.00 5.28 H new ATOM 14 N LYS A 2 -19.069 -12.517 -4.954 1.00 3.60 N ATOM 15 CA LYS A 2 -19.453 -12.250 -3.541 1.00 3.08 C ATOM 16 C LYS A 2 -18.454 -12.932 -2.604 1.00 2.11 C ATOM 17 O LYS A 2 -18.598 -14.086 -2.253 1.00 2.12 O ATOM 18 CB LYS A 2 -20.860 -12.797 -3.283 1.00 3.28 C ATOM 19 CG LYS A 2 -21.886 -11.945 -4.032 1.00 3.95 C ATOM 20 CD LYS A 2 -23.294 -12.462 -3.731 1.00 4.66 C ATOM 21 CE LYS A 2 -24.327 -11.466 -4.257 1.00 5.66 C ATOM 22 NZ LYS A 2 -25.687 -11.876 -3.805 1.00 5.96 N ATOM 0 H LYS A 2 -19.710 -13.118 -5.472 1.00 3.60 H new ATOM 0 HA LYS A 2 -19.444 -11.176 -3.357 1.00 3.08 H new ATOM 0 HB2 LYS A 2 -20.924 -13.834 -3.612 1.00 3.28 H new ATOM 0 HB3 LYS A 2 -21.075 -12.787 -2.214 1.00 3.28 H new ATOM 0 HG2 LYS A 2 -21.798 -10.901 -3.730 1.00 3.95 H new ATOM 0 HG3 LYS A 2 -21.694 -11.984 -5.104 1.00 3.95 H new ATOM 0 HD2 LYS A 2 -23.442 -13.436 -4.197 1.00 4.66 H new ATOM 0 HD3 LYS A 2 -23.420 -12.600 -2.657 1.00 4.66 H new ATOM 0 HE2 LYS A 2 -24.099 -10.464 -3.895 1.00 5.66 H new ATOM 0 HE3 LYS A 2 -24.290 -11.428 -5.346 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 -26.391 -11.199 -4.163 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 -25.903 -12.825 -4.171 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 -25.718 -11.891 -2.766 1.00 5.96 H new ATOM 36 N THR A 3 -17.467 -12.198 -2.158 1.00 1.72 N ATOM 37 CA THR A 3 -16.476 -12.764 -1.192 1.00 1.18 C ATOM 38 C THR A 3 -16.819 -12.234 0.198 1.00 1.02 C ATOM 39 O THR A 3 -17.980 -12.111 0.534 1.00 1.63 O ATOM 40 CB THR A 3 -15.053 -12.309 -1.526 1.00 1.48 C ATOM 41 OG1 THR A 3 -14.968 -10.896 -1.398 1.00 2.13 O ATOM 42 CG2 THR A 3 -14.708 -12.715 -2.959 1.00 2.22 C ATOM 0 H THR A 3 -17.304 -11.226 -2.422 1.00 1.72 H new ATOM 0 HA THR A 3 -16.521 -13.852 -1.241 1.00 1.18 H new ATOM 0 HB THR A 3 -14.350 -12.780 -0.839 1.00 1.48 H new ATOM 0 HG1 THR A 3 -14.057 -10.603 -1.610 1.00 2.13 H new ATOM 0 HG21 THR A 3 -13.695 -12.390 -3.195 1.00 2.22 H new ATOM 0 HG22 THR A 3 -14.774 -13.799 -3.056 1.00 2.22 H new ATOM 0 HG23 THR A 3 -15.409 -12.246 -3.649 1.00 2.22 H new ATOM 50 N GLY A 4 -15.861 -11.910 1.020 1.00 0.52 N ATOM 51 CA GLY A 4 -16.200 -11.386 2.378 1.00 0.30 C ATOM 52 C GLY A 4 -14.880 -11.223 3.137 1.00 0.41 C ATOM 53 O GLY A 4 -14.428 -12.113 3.830 1.00 0.81 O ATOM 0 H GLY A 4 -14.864 -11.983 0.816 1.00 0.52 H new ATOM 0 HA2 GLY A 4 -16.723 -10.432 2.304 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.864 -12.074 2.902 1.00 0.30 H new ATOM 57 N GLY A 5 -14.252 -10.083 2.990 1.00 0.01 N ATOM 58 CA GLY A 5 -12.951 -9.850 3.675 1.00 0.01 C ATOM 59 C GLY A 5 -13.172 -9.515 5.150 1.00 0.01 C ATOM 60 O GLY A 5 -14.165 -8.922 5.526 1.00 0.01 O ATOM 0 H GLY A 5 -14.588 -9.304 2.423 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.324 -10.737 3.588 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.418 -9.034 3.187 1.00 0.01 H new ATOM 64 N LYS A 6 -12.243 -9.888 5.987 1.00 0.00 N ATOM 65 CA LYS A 6 -12.368 -9.598 7.443 1.00 0.01 C ATOM 66 C LYS A 6 -10.970 -9.452 8.039 1.00 0.01 C ATOM 67 O LYS A 6 -10.078 -10.239 7.762 1.00 0.00 O ATOM 68 CB LYS A 6 -13.112 -10.735 8.145 1.00 0.02 C ATOM 69 CG LYS A 6 -13.399 -10.348 9.596 1.00 0.02 C ATOM 70 CD LYS A 6 -13.994 -11.549 10.332 1.00 0.02 C ATOM 71 CE LYS A 6 -14.435 -11.122 11.732 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.137 -12.255 12.398 1.00 0.02 N ATOM 0 H LYS A 6 -11.394 -10.387 5.721 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.930 -8.675 7.583 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -14.046 -10.947 7.624 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.515 -11.647 8.113 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.481 -10.025 10.087 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.091 -9.507 9.630 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -14.844 -11.945 9.776 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.257 -12.349 10.400 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -13.569 -10.820 12.321 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -15.096 -10.257 11.669 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -15.437 -11.965 13.351 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -15.972 -12.523 11.838 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -14.493 -13.068 12.470 1.00 0.02 H new ATOM 86 N ILE A 7 -10.789 -8.452 8.872 1.00 0.02 N ATOM 87 CA ILE A 7 -9.468 -8.217 9.532 1.00 0.00 C ATOM 88 C ILE A 7 -9.687 -8.063 11.040 1.00 0.02 C ATOM 89 O ILE A 7 -10.636 -7.443 11.479 1.00 0.01 O ATOM 90 CB ILE A 7 -8.805 -6.970 8.938 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.572 -6.599 9.767 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.791 -5.805 8.938 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.717 -5.592 8.994 1.00 0.02 C ATOM 0 H ILE A 7 -11.514 -7.780 9.124 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.804 -9.064 9.358 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.503 -7.182 7.912 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.878 -6.173 10.722 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.988 -7.492 9.989 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.312 -4.923 8.514 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.663 -6.067 8.339 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.103 -5.592 9.961 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.840 -5.329 9.586 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.399 -6.034 8.050 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.303 -4.694 8.795 1.00 0.02 H new ATOM 105 N SER A 8 -8.802 -8.615 11.836 1.00 0.02 N ATOM 106 CA SER A 8 -8.928 -8.501 13.326 1.00 0.02 C ATOM 107 C SER A 8 -7.670 -7.850 13.903 1.00 0.01 C ATOM 108 O SER A 8 -6.562 -8.256 13.623 1.00 0.02 O ATOM 109 CB SER A 8 -9.108 -9.884 13.942 1.00 0.30 C ATOM 110 OG SER A 8 -8.875 -9.805 15.341 1.00 0.39 O ATOM 0 H SER A 8 -7.991 -9.144 11.515 1.00 0.02 H new ATOM 0 HA SER A 8 -9.797 -7.886 13.560 1.00 0.02 H new ATOM 0 HB2 SER A 8 -10.115 -10.253 13.749 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.416 -10.592 13.485 1.00 0.30 H new ATOM 0 HG SER A 8 -8.202 -10.470 15.599 1.00 0.39 H new ATOM 116 N PHE A 9 -7.848 -6.844 14.724 1.00 0.02 N ATOM 117 CA PHE A 9 -6.687 -6.143 15.360 1.00 0.01 C ATOM 118 C PHE A 9 -6.644 -6.506 16.851 1.00 0.01 C ATOM 119 O PHE A 9 -7.670 -6.568 17.498 1.00 0.02 O ATOM 120 CB PHE A 9 -6.885 -4.629 15.229 1.00 0.02 C ATOM 121 CG PHE A 9 -7.193 -4.258 13.798 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.488 -4.427 13.295 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.188 -3.730 12.979 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.778 -4.069 11.974 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.476 -3.374 11.657 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.772 -3.543 11.155 1.00 0.02 C ATOM 0 H PHE A 9 -8.762 -6.473 14.985 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.760 -6.443 14.872 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.699 -4.305 15.878 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.986 -4.109 15.560 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.264 -4.834 13.927 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.189 -3.597 13.368 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.778 -4.198 11.586 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.700 -2.969 11.025 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.996 -3.267 10.135 1.00 0.02 H new ATOM 136 N TYR A 10 -5.474 -6.755 17.402 1.00 0.02 N ATOM 137 CA TYR A 10 -5.373 -7.126 18.856 1.00 0.01 C ATOM 138 C TYR A 10 -4.454 -6.139 19.580 1.00 0.02 C ATOM 139 O TYR A 10 -3.439 -5.716 19.049 1.00 0.01 O ATOM 140 CB TYR A 10 -4.772 -8.526 18.984 1.00 0.02 C ATOM 141 CG TYR A 10 -5.666 -9.541 18.313 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.744 -9.587 16.917 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.404 -10.447 19.086 1.00 0.00 C ATOM 144 CE1 TYR A 10 -6.559 -10.538 16.292 1.00 0.02 C ATOM 145 CE2 TYR A 10 -7.222 -11.397 18.461 1.00 0.02 C ATOM 146 CZ TYR A 10 -7.299 -11.444 17.063 1.00 0.00 C ATOM 147 OH TYR A 10 -8.103 -12.381 16.447 1.00 0.02 O ATOM 0 H TYR A 10 -4.583 -6.717 16.906 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.369 -7.100 19.297 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.781 -8.547 18.530 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.646 -8.781 20.036 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -5.175 -8.888 16.321 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.342 -10.413 20.164 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.617 -10.573 15.214 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.793 -12.093 19.057 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.354 -13.073 17.094 1.00 0.02 H new ATOM 157 N GLU A 11 -4.826 -5.736 20.773 1.00 0.00 N ATOM 158 CA GLU A 11 -4.007 -4.740 21.523 1.00 0.02 C ATOM 159 C GLU A 11 -2.672 -5.327 21.987 1.00 0.03 C ATOM 160 O GLU A 11 -1.717 -4.597 22.159 1.00 0.03 O ATOM 161 CB GLU A 11 -4.788 -4.268 22.757 1.00 0.00 C ATOM 162 CG GLU A 11 -5.903 -3.318 22.331 1.00 0.00 C ATOM 163 CD GLU A 11 -6.667 -2.852 23.569 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.609 -3.545 24.571 1.00 0.02 O ATOM 165 OE2 GLU A 11 -7.297 -1.809 23.495 1.00 0.01 O ATOM 0 H GLU A 11 -5.664 -6.057 21.257 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.800 -3.910 20.848 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.209 -5.125 23.282 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.117 -3.766 23.454 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.485 -2.461 21.803 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.580 -3.819 21.639 1.00 0.00 H new ATOM 172 N ASP A 12 -2.580 -6.620 22.208 1.00 0.02 N ATOM 173 CA ASP A 12 -1.281 -7.213 22.677 1.00 0.01 C ATOM 174 C ASP A 12 -0.713 -8.167 21.622 1.00 0.02 C ATOM 175 O ASP A 12 -1.351 -8.499 20.643 1.00 0.02 O ATOM 176 CB ASP A 12 -1.504 -7.994 23.976 1.00 0.01 C ATOM 177 CG ASP A 12 -2.022 -7.047 25.059 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.601 -6.032 24.706 1.00 0.03 O ATOM 179 OD2 ASP A 12 -1.831 -7.352 26.225 1.00 0.02 O ATOM 0 H ASP A 12 -3.342 -7.287 22.085 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.576 -6.399 22.846 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.219 -8.800 23.810 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.572 -8.457 24.299 1.00 0.01 H new ATOM 184 N ARG A 13 0.499 -8.598 21.832 1.00 0.02 N ATOM 185 CA ARG A 13 1.167 -9.528 20.876 1.00 0.02 C ATOM 186 C ARG A 13 0.565 -10.932 21.007 1.00 0.00 C ATOM 187 O ARG A 13 0.016 -11.300 22.027 1.00 0.02 O ATOM 188 CB ARG A 13 2.667 -9.588 21.222 1.00 0.00 C ATOM 189 CG ARG A 13 3.409 -8.366 20.651 1.00 0.01 C ATOM 190 CD ARG A 13 3.221 -7.157 21.570 1.00 0.02 C ATOM 191 NE ARG A 13 4.051 -6.026 21.064 1.00 0.03 N ATOM 192 CZ ARG A 13 3.867 -4.819 21.525 1.00 0.02 C ATOM 193 NH1 ARG A 13 2.967 -4.599 22.443 1.00 0.02 N ATOM 194 NH2 ARG A 13 4.587 -3.829 21.071 1.00 0.02 N ATOM 0 H ARG A 13 1.066 -8.341 22.640 1.00 0.02 H new ATOM 0 HA ARG A 13 1.024 -9.173 19.856 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.794 -9.623 22.304 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.101 -10.503 20.820 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.470 -8.592 20.547 1.00 0.01 H new ATOM 0 HG3 ARG A 13 3.033 -8.136 19.654 1.00 0.01 H new ATOM 0 HD2 ARG A 13 2.170 -6.868 21.601 1.00 0.02 H new ATOM 0 HD3 ARG A 13 3.512 -7.411 22.589 1.00 0.02 H new ATOM 0 HE ARG A 13 4.765 -6.196 20.355 1.00 0.03 H new ATOM 0 HH11 ARG A 13 2.405 -5.371 22.802 1.00 0.02 H new ATOM 0 HH12 ARG A 13 2.825 -3.655 22.802 1.00 0.02 H new ATOM 0 HH21 ARG A 13 5.294 -3.999 20.355 1.00 0.02 H new ATOM 0 HH22 ARG A 13 4.443 -2.886 21.432 1.00 0.02 H new ATOM 208 N ASN A 14 0.695 -11.718 19.971 1.00 0.02 N ATOM 209 CA ASN A 14 0.172 -13.116 19.989 1.00 0.02 C ATOM 210 C ASN A 14 -1.358 -13.132 20.068 1.00 0.02 C ATOM 211 O ASN A 14 -1.959 -13.981 20.695 1.00 0.02 O ATOM 212 CB ASN A 14 0.787 -13.859 21.180 1.00 0.26 C ATOM 213 CG ASN A 14 2.232 -13.396 21.377 1.00 0.12 C ATOM 214 OD1 ASN A 14 2.478 -12.406 22.037 1.00 0.74 O ATOM 215 ND2 ASN A 14 3.203 -14.075 20.831 1.00 0.46 N ATOM 0 H ASN A 14 1.149 -11.446 19.099 1.00 0.02 H new ATOM 0 HA ASN A 14 0.452 -13.617 19.062 1.00 0.02 H new ATOM 0 HB2 ASN A 14 0.206 -13.667 22.082 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.759 -14.935 21.006 1.00 0.26 H new ATOM 0 HD21 ASN A 14 4.170 -13.775 20.958 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.996 -14.906 20.277 1.00 0.46 H new ATOM 222 N PHE A 15 -1.972 -12.170 19.420 1.00 0.02 N ATOM 223 CA PHE A 15 -3.465 -12.048 19.388 1.00 0.02 C ATOM 224 C PHE A 15 -4.052 -12.138 20.795 1.00 0.00 C ATOM 225 O PHE A 15 -5.041 -12.803 21.033 1.00 0.02 O ATOM 226 CB PHE A 15 -4.097 -13.118 18.469 1.00 0.02 C ATOM 227 CG PHE A 15 -3.423 -14.458 18.649 1.00 0.02 C ATOM 228 CD1 PHE A 15 -2.300 -14.783 17.879 1.00 0.02 C ATOM 229 CD2 PHE A 15 -3.921 -15.376 19.582 1.00 0.02 C ATOM 230 CE1 PHE A 15 -1.675 -16.024 18.042 1.00 0.02 C ATOM 231 CE2 PHE A 15 -3.296 -16.618 19.745 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.173 -16.942 18.975 1.00 0.02 C ATOM 0 H PHE A 15 -1.485 -11.443 18.896 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.704 -11.067 18.978 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.160 -13.210 18.691 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -4.014 -12.803 17.429 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -1.916 -14.076 17.159 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -4.788 -15.126 20.176 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -0.808 -16.274 17.448 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -3.680 -17.326 20.465 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.690 -17.900 19.100 1.00 0.02 H new ATOM 242 N GLN A 16 -3.452 -11.440 21.720 1.00 0.02 N ATOM 243 CA GLN A 16 -3.952 -11.421 23.127 1.00 0.02 C ATOM 244 C GLN A 16 -4.488 -10.017 23.420 1.00 0.02 C ATOM 245 O GLN A 16 -4.242 -9.089 22.673 1.00 0.02 O ATOM 246 CB GLN A 16 -2.795 -11.724 24.083 1.00 0.02 C ATOM 247 CG GLN A 16 -2.403 -13.196 23.957 1.00 0.00 C ATOM 248 CD GLN A 16 -1.347 -13.534 25.011 1.00 0.00 C ATOM 249 OE1 GLN A 16 -1.170 -14.683 25.365 1.00 0.02 O ATOM 250 NE2 GLN A 16 -0.631 -12.574 25.530 1.00 0.02 N ATOM 0 H GLN A 16 -2.621 -10.871 21.558 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.735 -12.168 23.261 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.941 -11.088 23.851 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.089 -11.501 25.109 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.280 -13.830 24.089 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.013 -13.396 22.959 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.779 -11.610 25.233 1.00 0.02 H new ATOM 0 HE22 GLN A 16 0.077 -12.788 26.232 1.00 0.02 H new ATOM 259 N GLY A 17 -5.219 -9.841 24.490 1.00 0.03 N ATOM 260 CA GLY A 17 -5.750 -8.481 24.808 1.00 0.03 C ATOM 261 C GLY A 17 -7.106 -8.256 24.129 1.00 0.02 C ATOM 262 O GLY A 17 -7.724 -9.174 23.627 1.00 0.02 O ATOM 0 H GLY A 17 -5.470 -10.574 25.153 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.855 -8.369 25.887 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.041 -7.722 24.477 1.00 0.03 H new ATOM 266 N ARG A 18 -7.564 -7.034 24.105 1.00 0.00 N ATOM 267 CA ARG A 18 -8.869 -6.725 23.453 1.00 0.02 C ATOM 268 C ARG A 18 -8.731 -6.906 21.940 1.00 0.02 C ATOM 269 O ARG A 18 -7.703 -6.617 21.356 1.00 0.02 O ATOM 270 CB ARG A 18 -9.251 -5.276 23.764 1.00 0.79 C ATOM 271 CG ARG A 18 -10.678 -5.009 23.278 1.00 1.49 C ATOM 272 CD ARG A 18 -11.097 -3.592 23.672 1.00 1.42 C ATOM 273 NE ARG A 18 -12.531 -3.384 23.327 1.00 2.07 N ATOM 274 CZ ARG A 18 -13.183 -2.377 23.839 1.00 2.35 C ATOM 275 NH1 ARG A 18 -12.579 -1.556 24.654 1.00 2.53 N ATOM 276 NH2 ARG A 18 -14.439 -2.192 23.535 1.00 2.76 N ATOM 0 H ARG A 18 -7.086 -6.230 24.512 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.642 -7.396 23.829 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.180 -5.092 24.836 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.556 -4.593 23.277 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.733 -5.128 22.196 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.363 -5.736 23.713 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -10.943 -3.440 24.740 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -10.477 -2.861 23.153 1.00 1.42 H new ATOM 0 HE ARG A 18 -13.002 -4.028 22.692 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.598 -1.702 24.890 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -13.088 -0.768 25.055 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -14.909 -2.835 22.898 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -14.950 -1.405 23.935 1.00 2.76 H new ATOM 290 N ARG A 19 -9.765 -7.407 21.306 1.00 0.02 N ATOM 291 CA ARG A 19 -9.726 -7.649 19.831 1.00 0.02 C ATOM 292 C ARG A 19 -10.808 -6.812 19.145 1.00 0.02 C ATOM 293 O ARG A 19 -11.870 -6.577 19.688 1.00 0.02 O ATOM 294 CB ARG A 19 -10.015 -9.139 19.586 1.00 0.85 C ATOM 295 CG ARG A 19 -9.924 -9.481 18.090 1.00 1.31 C ATOM 296 CD ARG A 19 -10.543 -10.861 17.852 1.00 1.34 C ATOM 297 NE ARG A 19 -10.571 -11.155 16.392 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.766 -12.378 15.979 1.00 1.63 C ATOM 299 NH1 ARG A 19 -10.915 -13.343 16.846 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.809 -12.637 14.701 1.00 1.89 N ATOM 0 H ARG A 19 -10.645 -7.661 21.755 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.751 -7.373 19.430 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.304 -9.747 20.145 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -11.009 -9.386 19.959 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.446 -8.728 17.500 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.883 -9.475 17.766 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.966 -11.624 18.375 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -11.554 -10.891 18.258 1.00 1.34 H new ATOM 0 HE ARG A 19 -10.438 -10.402 15.716 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.879 -13.141 17.845 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.067 -14.299 16.524 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -10.690 -11.884 14.024 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.961 -13.593 14.379 1.00 1.89 H new ATOM 314 N TYR A 20 -10.543 -6.385 17.940 1.00 0.02 N ATOM 315 CA TYR A 20 -11.537 -5.583 17.163 1.00 0.02 C ATOM 316 C TYR A 20 -11.624 -6.183 15.759 1.00 0.02 C ATOM 317 O TYR A 20 -10.625 -6.359 15.094 1.00 0.02 O ATOM 318 CB TYR A 20 -11.076 -4.122 17.084 1.00 0.02 C ATOM 319 CG TYR A 20 -11.915 -3.372 16.070 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.297 -3.253 16.260 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.313 -2.799 14.940 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.076 -2.563 15.324 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.094 -2.110 14.005 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.476 -1.992 14.196 1.00 0.02 C ATOM 325 OH TYR A 20 -14.247 -1.313 13.274 1.00 0.01 O ATOM 0 H TYR A 20 -9.665 -6.560 17.451 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.514 -5.608 17.647 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.164 -3.650 18.063 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.024 -4.078 16.803 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.762 -3.694 17.129 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.247 -2.889 14.791 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.142 -2.471 15.473 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.630 -1.669 13.135 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.101 -1.693 12.382 1.00 0.01 H new ATOM 335 N ASP A 21 -12.809 -6.515 15.313 1.00 0.01 N ATOM 336 CA ASP A 21 -12.983 -7.130 13.958 1.00 0.02 C ATOM 337 C ASP A 21 -13.713 -6.152 13.038 1.00 0.00 C ATOM 338 O ASP A 21 -14.675 -5.519 13.425 1.00 0.01 O ATOM 339 CB ASP A 21 -13.815 -8.405 14.102 1.00 0.12 C ATOM 340 CG ASP A 21 -12.958 -9.505 14.733 1.00 0.41 C ATOM 341 OD1 ASP A 21 -11.866 -9.193 15.180 1.00 1.12 O ATOM 342 OD2 ASP A 21 -13.408 -10.639 14.760 1.00 0.56 O ATOM 0 H ASP A 21 -13.675 -6.385 15.835 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.008 -7.363 13.531 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.691 -8.212 14.721 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -14.178 -8.727 13.126 1.00 0.12 H new ATOM 347 N CYS A 22 -13.246 -6.024 11.817 1.00 0.01 N ATOM 348 CA CYS A 22 -13.889 -5.084 10.846 1.00 0.00 C ATOM 349 C CYS A 22 -14.146 -5.812 9.525 1.00 0.02 C ATOM 350 O CYS A 22 -13.319 -6.564 9.042 1.00 0.01 O ATOM 351 CB CYS A 22 -12.959 -3.890 10.619 1.00 0.00 C ATOM 352 SG CYS A 22 -13.890 -2.537 9.858 1.00 0.02 S ATOM 0 H CYS A 22 -12.442 -6.534 11.451 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.840 -4.730 11.243 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.531 -3.563 11.567 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.127 -4.180 9.977 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.747 -2.585 8.567 1.00 0.02 H new ATOM 358 N ASP A 23 -15.301 -5.592 8.943 1.00 0.01 N ATOM 359 CA ASP A 23 -15.658 -6.260 7.651 1.00 0.02 C ATOM 360 C ASP A 23 -15.833 -5.202 6.560 1.00 0.00 C ATOM 361 O ASP A 23 -16.299 -5.485 5.474 1.00 0.02 O ATOM 362 CB ASP A 23 -16.968 -7.029 7.827 1.00 0.16 C ATOM 363 CG ASP A 23 -18.090 -6.051 8.180 1.00 0.17 C ATOM 364 OD1 ASP A 23 -17.797 -5.041 8.797 1.00 0.20 O ATOM 365 OD2 ASP A 23 -19.224 -6.328 7.824 1.00 0.17 O ATOM 0 H ASP A 23 -16.020 -4.970 9.313 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.863 -6.949 7.364 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.213 -7.565 6.910 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -16.861 -7.776 8.614 1.00 0.16 H new ATOM 370 N CYS A 24 -15.448 -3.987 6.835 1.00 0.01 N ATOM 371 CA CYS A 24 -15.572 -2.909 5.813 1.00 0.01 C ATOM 372 C CYS A 24 -14.586 -1.798 6.171 1.00 0.01 C ATOM 373 O CYS A 24 -13.938 -1.850 7.198 1.00 0.01 O ATOM 374 CB CYS A 24 -16.999 -2.358 5.812 1.00 0.62 C ATOM 375 SG CYS A 24 -17.136 -1.035 4.582 1.00 1.23 S ATOM 0 H CYS A 24 -15.051 -3.693 7.727 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.351 -3.302 4.821 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.707 -3.155 5.585 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.254 -1.977 6.801 1.00 0.62 H new ATOM 0 HG CYS A 24 -18.349 -0.568 4.580 1.00 1.23 H new ATOM 381 N ASP A 25 -14.445 -0.799 5.345 1.00 0.02 N ATOM 382 CA ASP A 25 -13.483 0.291 5.662 1.00 0.01 C ATOM 383 C ASP A 25 -13.895 0.998 6.953 1.00 0.02 C ATOM 384 O ASP A 25 -15.065 1.180 7.229 1.00 0.00 O ATOM 385 CB ASP A 25 -13.474 1.307 4.515 1.00 0.01 C ATOM 386 CG ASP A 25 -14.912 1.603 4.084 1.00 0.01 C ATOM 387 OD1 ASP A 25 -15.717 1.914 4.947 1.00 0.01 O ATOM 388 OD2 ASP A 25 -15.185 1.513 2.899 1.00 0.01 O ATOM 0 H ASP A 25 -14.953 -0.691 4.467 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.489 -0.138 5.790 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -12.982 2.226 4.833 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -12.904 0.915 3.673 1.00 0.01 H new ATOM 393 N CYS A 26 -12.932 1.424 7.731 1.00 0.01 N ATOM 394 CA CYS A 26 -13.233 2.158 9.000 1.00 0.01 C ATOM 395 C CYS A 26 -12.352 3.409 9.056 1.00 0.01 C ATOM 396 O CYS A 26 -11.139 3.322 9.068 1.00 0.01 O ATOM 397 CB CYS A 26 -12.940 1.258 10.203 1.00 0.01 C ATOM 398 SG CYS A 26 -13.694 1.969 11.688 1.00 0.02 S ATOM 0 H CYS A 26 -11.939 1.293 7.539 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.285 2.442 9.028 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.334 0.257 10.026 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.864 1.157 10.342 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.824 1.045 12.593 1.00 0.02 H new ATOM 404 N ALA A 27 -12.950 4.573 9.047 1.00 0.01 N ATOM 405 CA ALA A 27 -12.141 5.826 9.055 1.00 0.01 C ATOM 406 C ALA A 27 -11.586 6.102 10.450 1.00 0.01 C ATOM 407 O ALA A 27 -10.587 6.779 10.607 1.00 0.02 O ATOM 408 CB ALA A 27 -13.014 7.000 8.607 1.00 0.24 C ATOM 0 H ALA A 27 -13.961 4.708 9.034 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.304 5.705 8.367 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.423 7.916 8.613 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.385 6.814 7.599 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.857 7.108 9.290 1.00 0.24 H new ATOM 414 N ASP A 28 -12.222 5.584 11.467 1.00 0.01 N ATOM 415 CA ASP A 28 -11.731 5.807 12.858 1.00 0.02 C ATOM 416 C ASP A 28 -12.205 4.645 13.735 1.00 0.01 C ATOM 417 O ASP A 28 -13.343 4.604 14.160 1.00 0.02 O ATOM 418 CB ASP A 28 -12.296 7.124 13.397 1.00 0.67 C ATOM 419 CG ASP A 28 -11.873 7.300 14.858 1.00 0.90 C ATOM 420 OD1 ASP A 28 -12.399 6.585 15.696 1.00 1.14 O ATOM 421 OD2 ASP A 28 -11.029 8.143 15.113 1.00 0.87 O ATOM 0 H ASP A 28 -13.064 5.013 11.393 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.642 5.859 12.866 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -11.933 7.960 12.799 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.383 7.125 13.319 1.00 0.67 H new ATOM 426 N PHE A 29 -11.335 3.704 14.010 1.00 0.02 N ATOM 427 CA PHE A 29 -11.715 2.529 14.867 1.00 0.02 C ATOM 428 C PHE A 29 -11.102 2.677 16.264 1.00 0.00 C ATOM 429 O PHE A 29 -11.098 1.761 17.068 1.00 0.02 O ATOM 430 CB PHE A 29 -11.270 1.221 14.201 1.00 2.87 C ATOM 431 CG PHE A 29 -9.783 1.013 14.358 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.893 1.735 13.559 1.00 4.68 C ATOM 433 CD2 PHE A 29 -9.298 0.082 15.285 1.00 4.52 C ATOM 434 CE1 PHE A 29 -7.517 1.529 13.686 1.00 5.85 C ATOM 435 CE2 PHE A 29 -7.921 -0.122 15.413 1.00 5.75 C ATOM 436 CZ PHE A 29 -7.033 0.600 14.613 1.00 6.37 C ATOM 0 H PHE A 29 -10.371 3.696 13.677 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.799 2.500 14.974 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.807 0.382 14.644 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.528 1.242 13.142 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.268 2.452 12.844 1.00 4.68 H new ATOM 0 HD2 PHE A 29 -9.987 -0.478 15.900 1.00 4.52 H new ATOM 0 HE1 PHE A 29 -6.828 2.086 13.069 1.00 5.85 H new ATOM 0 HE2 PHE A 29 -7.545 -0.837 16.130 1.00 5.75 H new ATOM 0 HZ PHE A 29 -5.969 0.441 14.710 1.00 6.37 H new ATOM 446 N ARG A 30 -10.561 3.830 16.538 1.00 0.01 N ATOM 447 CA ARG A 30 -9.921 4.077 17.859 1.00 0.00 C ATOM 448 C ARG A 30 -10.932 3.889 18.994 1.00 0.01 C ATOM 449 O ARG A 30 -10.557 3.665 20.128 1.00 0.02 O ATOM 450 CB ARG A 30 -9.378 5.506 17.904 1.00 0.32 C ATOM 451 CG ARG A 30 -8.516 5.764 16.664 1.00 0.86 C ATOM 452 CD ARG A 30 -7.635 6.994 16.892 1.00 1.62 C ATOM 453 NE ARG A 30 -6.482 6.618 17.758 1.00 2.25 N ATOM 454 CZ ARG A 30 -5.447 7.407 17.847 1.00 2.70 C ATOM 455 NH1 ARG A 30 -5.426 8.530 17.180 1.00 3.11 N ATOM 456 NH2 ARG A 30 -4.434 7.076 18.600 1.00 3.02 N ATOM 0 H ARG A 30 -10.535 4.621 15.895 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.108 3.363 17.988 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.202 6.219 17.942 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.787 5.654 18.808 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -7.894 4.894 16.455 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.153 5.918 15.793 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.277 7.382 15.938 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -8.214 7.789 17.362 1.00 1.62 H new ATOM 0 HE ARG A 30 -6.502 5.743 18.282 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -6.218 8.788 16.591 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -4.618 9.149 17.248 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -4.450 6.199 19.120 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -3.626 7.694 18.668 1.00 3.02 H new ATOM 470 N SER A 31 -12.206 3.995 18.721 1.00 0.02 N ATOM 471 CA SER A 31 -13.213 3.838 19.809 1.00 0.02 C ATOM 472 C SER A 31 -13.367 2.363 20.180 1.00 0.01 C ATOM 473 O SER A 31 -13.902 2.026 21.218 1.00 0.02 O ATOM 474 CB SER A 31 -14.559 4.384 19.333 1.00 0.37 C ATOM 475 OG SER A 31 -14.469 5.795 19.198 1.00 0.88 O ATOM 0 H SER A 31 -12.591 4.183 17.795 1.00 0.02 H new ATOM 0 HA SER A 31 -12.877 4.390 20.687 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.832 3.932 18.379 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.343 4.124 20.045 1.00 0.37 H new ATOM 0 HG SER A 31 -15.329 6.150 18.891 1.00 0.88 H new ATOM 481 N TYR A 32 -12.914 1.480 19.329 1.00 0.01 N ATOM 482 CA TYR A 32 -13.043 0.017 19.609 1.00 0.01 C ATOM 483 C TYR A 32 -11.694 -0.527 20.071 1.00 0.02 C ATOM 484 O TYR A 32 -11.614 -1.555 20.713 1.00 0.02 O ATOM 485 CB TYR A 32 -13.458 -0.702 18.323 1.00 0.02 C ATOM 486 CG TYR A 32 -14.867 -0.301 17.952 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.956 -0.891 18.606 1.00 0.01 C ATOM 488 CD2 TYR A 32 -15.086 0.655 16.953 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.262 -0.524 18.260 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.391 1.023 16.607 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.479 0.433 17.261 1.00 0.02 C ATOM 492 OH TYR A 32 -18.766 0.795 16.917 1.00 0.02 O ATOM 0 H TYR A 32 -12.457 1.710 18.446 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.791 -0.146 20.385 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.772 -0.449 17.515 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.401 -1.781 18.463 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.788 -1.629 19.377 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.246 1.109 16.448 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -18.102 -0.979 18.764 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.559 1.761 15.837 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.737 1.471 16.208 1.00 0.02 H new ATOM 502 N LEU A 33 -10.630 0.153 19.739 1.00 0.02 N ATOM 503 CA LEU A 33 -9.274 -0.323 20.149 1.00 0.02 C ATOM 504 C LEU A 33 -8.349 0.895 20.313 1.00 0.02 C ATOM 505 O LEU A 33 -8.264 1.754 19.459 1.00 0.02 O ATOM 506 CB LEU A 33 -8.730 -1.253 19.039 1.00 1.66 C ATOM 507 CG LEU A 33 -7.942 -2.438 19.644 1.00 2.38 C ATOM 508 CD1 LEU A 33 -8.864 -3.324 20.517 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.343 -3.287 18.506 1.00 2.80 C ATOM 0 H LEU A 33 -10.640 1.019 19.201 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.323 -0.866 21.093 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.558 -1.631 18.439 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.083 -0.686 18.369 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.145 -2.041 20.273 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.288 -4.151 20.932 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.279 -2.727 21.329 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.675 -3.718 19.905 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.787 -4.123 18.930 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.146 -3.668 17.875 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.672 -2.671 17.907 1.00 2.80 H new ATOM 521 N SER A 34 -7.677 0.971 21.432 1.00 0.02 N ATOM 522 CA SER A 34 -6.773 2.130 21.704 1.00 0.02 C ATOM 523 C SER A 34 -5.381 1.898 21.105 1.00 0.00 C ATOM 524 O SER A 34 -4.564 2.797 21.055 1.00 0.01 O ATOM 525 CB SER A 34 -6.649 2.315 23.215 1.00 0.02 C ATOM 526 OG SER A 34 -5.945 3.522 23.482 1.00 0.02 O ATOM 0 H SER A 34 -7.716 0.274 22.176 1.00 0.02 H new ATOM 0 HA SER A 34 -7.198 3.021 21.243 1.00 0.02 H new ATOM 0 HB2 SER A 34 -7.638 2.348 23.672 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.123 1.468 23.655 1.00 0.02 H new ATOM 0 HG SER A 34 -5.307 3.696 22.759 1.00 0.02 H new ATOM 532 N ARG A 35 -5.102 0.710 20.646 1.00 0.02 N ATOM 533 CA ARG A 35 -3.769 0.418 20.047 1.00 0.01 C ATOM 534 C ARG A 35 -3.836 -0.976 19.425 1.00 0.02 C ATOM 535 O ARG A 35 -4.730 -1.745 19.719 1.00 0.02 O ATOM 536 CB ARG A 35 -2.691 0.442 21.133 1.00 0.02 C ATOM 537 CG ARG A 35 -3.078 -0.514 22.261 1.00 0.02 C ATOM 538 CD ARG A 35 -2.060 -0.400 23.396 1.00 0.02 C ATOM 539 NE ARG A 35 -2.490 -1.254 24.536 1.00 0.02 N ATOM 540 CZ ARG A 35 -1.647 -1.550 25.486 1.00 0.02 C ATOM 541 NH1 ARG A 35 -0.424 -1.094 25.440 1.00 0.00 N ATOM 542 NH2 ARG A 35 -2.027 -2.300 26.483 1.00 0.02 N ATOM 0 H ARG A 35 -5.747 -0.080 20.660 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.519 1.166 19.295 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.729 0.152 20.711 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.576 1.453 21.523 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -4.076 -0.276 22.628 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.111 -1.538 21.889 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -1.075 -0.709 23.047 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -1.973 0.638 23.718 1.00 0.02 H new ATOM 0 HE ARG A 35 -3.446 -1.609 24.575 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.128 -0.506 24.661 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.235 -1.326 26.183 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.983 -2.654 26.519 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -1.368 -2.532 27.227 1.00 0.02 H new ATOM 556 N CYS A 36 -2.907 -1.323 18.573 1.00 0.02 N ATOM 557 CA CYS A 36 -2.928 -2.677 17.941 1.00 0.02 C ATOM 558 C CYS A 36 -1.497 -3.203 17.836 1.00 0.02 C ATOM 559 O CYS A 36 -0.693 -2.643 17.115 1.00 0.02 O ATOM 560 CB CYS A 36 -3.529 -2.567 16.538 1.00 0.02 C ATOM 561 SG CYS A 36 -4.929 -1.422 16.563 1.00 0.02 S ATOM 0 H CYS A 36 -2.132 -0.725 18.286 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.527 -3.358 18.545 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -2.773 -2.217 15.835 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.855 -3.548 16.194 1.00 0.02 H new ATOM 0 HG CYS A 36 -5.769 -1.743 15.625 1.00 0.02 H new ATOM 567 N ASN A 37 -1.149 -4.254 18.548 1.00 0.02 N ATOM 568 CA ASN A 37 0.254 -4.772 18.477 1.00 0.01 C ATOM 569 C ASN A 37 0.296 -6.082 17.691 1.00 0.02 C ATOM 570 O ASN A 37 1.347 -6.626 17.416 1.00 0.02 O ATOM 571 CB ASN A 37 0.793 -5.007 19.891 1.00 0.02 C ATOM 572 CG ASN A 37 0.372 -3.845 20.792 1.00 0.01 C ATOM 573 OD1 ASN A 37 -0.202 -2.881 20.328 1.00 0.03 O ATOM 574 ND2 ASN A 37 0.629 -3.898 22.069 1.00 0.02 N ATOM 0 H ASN A 37 -1.772 -4.770 19.169 1.00 0.02 H new ATOM 0 HA ASN A 37 0.874 -4.033 17.969 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.409 -5.947 20.287 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.880 -5.090 19.869 1.00 0.02 H new ATOM 0 HD21 ASN A 37 0.348 -3.130 22.678 1.00 0.02 H new ATOM 0 HD22 ASN A 37 1.111 -4.708 22.459 1.00 0.02 H new ATOM 581 N SER A 38 -0.850 -6.567 17.288 1.00 0.02 N ATOM 582 CA SER A 38 -0.904 -7.815 16.473 1.00 0.02 C ATOM 583 C SER A 38 -2.174 -7.771 15.626 1.00 0.01 C ATOM 584 O SER A 38 -3.148 -7.140 15.983 1.00 0.02 O ATOM 585 CB SER A 38 -0.916 -9.053 17.371 1.00 0.01 C ATOM 586 OG SER A 38 -1.522 -10.131 16.672 1.00 0.02 O ATOM 0 H SER A 38 -1.757 -6.148 17.491 1.00 0.02 H new ATOM 0 HA SER A 38 -0.021 -7.877 15.837 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.101 -9.317 17.660 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.465 -8.845 18.290 1.00 0.01 H new ATOM 0 HG SER A 38 -1.018 -10.313 15.852 1.00 0.02 H new ATOM 592 N ILE A 39 -2.170 -8.421 14.491 1.00 0.02 N ATOM 593 CA ILE A 39 -3.378 -8.391 13.611 1.00 0.02 C ATOM 594 C ILE A 39 -3.524 -9.725 12.879 1.00 0.02 C ATOM 595 O ILE A 39 -2.558 -10.362 12.512 1.00 0.02 O ATOM 596 CB ILE A 39 -3.212 -7.278 12.568 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.701 -6.004 13.250 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.561 -6.998 11.903 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.635 -4.861 12.233 1.00 0.00 C ATOM 0 H ILE A 39 -1.387 -8.969 14.136 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.261 -8.211 14.224 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.493 -7.594 11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.361 -5.732 14.074 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.714 -6.180 13.677 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.444 -6.207 11.162 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.921 -7.903 11.414 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.281 -6.683 12.659 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.271 -3.958 12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.957 -5.133 11.424 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.630 -4.677 11.827 1.00 0.00 H new ATOM 611 N ARG A 40 -4.748 -10.114 12.624 1.00 0.02 N ATOM 612 CA ARG A 40 -5.020 -11.370 11.862 1.00 0.02 C ATOM 613 C ARG A 40 -5.911 -11.013 10.671 1.00 0.01 C ATOM 614 O ARG A 40 -6.979 -10.458 10.841 1.00 0.02 O ATOM 615 CB ARG A 40 -5.731 -12.407 12.734 1.00 0.01 C ATOM 616 CG ARG A 40 -5.840 -13.729 11.974 1.00 0.02 C ATOM 617 CD ARG A 40 -6.322 -14.826 12.925 1.00 0.02 C ATOM 618 NE ARG A 40 -5.392 -14.923 14.086 1.00 0.02 N ATOM 619 CZ ARG A 40 -5.754 -15.569 15.161 1.00 0.02 C ATOM 620 NH1 ARG A 40 -6.932 -16.125 15.223 1.00 0.02 N ATOM 621 NH2 ARG A 40 -4.938 -15.658 16.175 1.00 0.02 N ATOM 0 H ARG A 40 -5.583 -9.606 12.916 1.00 0.02 H new ATOM 0 HA ARG A 40 -4.075 -11.803 11.533 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.180 -12.554 13.663 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.724 -12.049 13.005 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.534 -13.625 11.140 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -4.872 -13.999 11.551 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -7.331 -14.604 13.272 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -6.368 -15.781 12.402 1.00 0.02 H new ATOM 0 HE ARG A 40 -4.472 -14.484 14.040 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.571 -16.055 14.431 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -7.214 -16.630 16.063 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -4.017 -15.223 16.128 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -5.221 -16.163 17.015 1.00 0.02 H new ATOM 635 N VAL A 41 -5.516 -11.368 9.477 1.00 0.02 N ATOM 636 CA VAL A 41 -6.380 -11.096 8.288 1.00 0.01 C ATOM 637 C VAL A 41 -6.991 -12.428 7.871 1.00 0.02 C ATOM 638 O VAL A 41 -6.292 -13.341 7.481 1.00 0.02 O ATOM 639 CB VAL A 41 -5.550 -10.499 7.154 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.476 -10.135 5.990 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.861 -9.227 7.655 1.00 0.00 C ATOM 0 H VAL A 41 -4.632 -11.835 9.272 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.161 -10.375 8.528 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.805 -11.222 6.823 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.888 -9.708 5.177 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.986 -11.031 5.637 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.214 -9.406 6.326 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.266 -8.795 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.614 -8.508 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.211 -9.472 8.495 1.00 0.00 H new ATOM 651 N GLU A 42 -8.287 -12.557 7.979 1.00 0.01 N ATOM 652 CA GLU A 42 -8.934 -13.850 7.622 1.00 0.01 C ATOM 653 C GLU A 42 -9.185 -13.906 6.121 1.00 0.02 C ATOM 654 O GLU A 42 -9.115 -14.958 5.519 1.00 0.01 O ATOM 655 CB GLU A 42 -10.262 -13.986 8.373 1.00 0.99 C ATOM 656 CG GLU A 42 -10.713 -15.449 8.362 1.00 1.86 C ATOM 657 CD GLU A 42 -12.075 -15.564 9.047 1.00 3.10 C ATOM 658 OE1 GLU A 42 -13.062 -15.203 8.427 1.00 3.67 O ATOM 659 OE2 GLU A 42 -12.109 -16.009 10.183 1.00 3.81 O ATOM 0 H GLU A 42 -8.922 -11.825 8.298 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.274 -14.670 7.904 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.148 -13.638 9.400 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -11.021 -13.358 7.906 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -10.777 -15.814 7.337 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -9.981 -16.071 8.877 1.00 1.86 H new ATOM 666 N GLY A 43 -9.483 -12.799 5.503 1.00 0.01 N ATOM 667 CA GLY A 43 -9.742 -12.849 4.038 1.00 0.02 C ATOM 668 C GLY A 43 -9.639 -11.456 3.430 1.00 0.02 C ATOM 669 O GLY A 43 -9.935 -10.471 4.072 1.00 0.02 O ATOM 0 H GLY A 43 -9.558 -11.879 5.937 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -9.025 -13.515 3.559 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.734 -13.261 3.852 1.00 0.02 H new ATOM 673 N GLY A 44 -9.248 -11.370 2.190 1.00 0.00 N ATOM 674 CA GLY A 44 -9.152 -10.035 1.540 1.00 0.01 C ATOM 675 C GLY A 44 -7.808 -9.386 1.871 1.00 0.01 C ATOM 676 O GLY A 44 -7.056 -9.869 2.694 1.00 0.01 O ATOM 0 H GLY A 44 -8.992 -12.162 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.259 -10.139 0.460 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.967 -9.396 1.881 1.00 0.01 H new ATOM 680 N THR A 45 -7.533 -8.268 1.258 1.00 0.01 N ATOM 681 CA THR A 45 -6.266 -7.524 1.541 1.00 0.00 C ATOM 682 C THR A 45 -6.645 -6.152 2.093 1.00 0.01 C ATOM 683 O THR A 45 -7.582 -5.543 1.627 1.00 0.01 O ATOM 684 CB THR A 45 -5.472 -7.357 0.245 1.00 0.73 C ATOM 685 OG1 THR A 45 -5.060 -8.634 -0.222 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.243 -6.487 0.509 1.00 1.48 C ATOM 0 H THR A 45 -8.138 -7.830 0.563 1.00 0.01 H new ATOM 0 HA THR A 45 -5.653 -8.068 2.260 1.00 0.00 H new ATOM 0 HB THR A 45 -6.098 -6.879 -0.508 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.552 -8.530 -1.054 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.677 -6.368 -0.415 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.561 -5.508 0.869 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.614 -6.964 1.261 1.00 1.48 H new ATOM 694 N TRP A 46 -5.990 -5.687 3.132 1.00 0.02 N ATOM 695 CA TRP A 46 -6.391 -4.376 3.745 1.00 0.01 C ATOM 696 C TRP A 46 -5.217 -3.403 3.844 1.00 0.01 C ATOM 697 O TRP A 46 -4.069 -3.776 3.977 1.00 0.01 O ATOM 698 CB TRP A 46 -6.918 -4.643 5.154 1.00 0.00 C ATOM 699 CG TRP A 46 -8.174 -5.449 5.069 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.238 -6.760 4.740 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.545 -5.020 5.313 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.562 -7.163 4.761 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.406 -6.125 5.110 1.00 0.01 C ATOM 704 CE3 TRP A 46 -10.119 -3.792 5.686 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.787 -6.014 5.271 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.507 -3.676 5.849 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.340 -4.785 5.642 1.00 0.01 C ATOM 0 H TRP A 46 -5.201 -6.153 3.580 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.151 -3.924 3.108 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.169 -5.177 5.739 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.111 -3.701 5.667 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.394 -7.389 4.500 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.876 -8.109 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.486 -2.932 5.848 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.424 -6.871 5.110 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.937 -2.728 6.135 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.408 -4.690 5.769 1.00 0.01 H new ATOM 718 N ALA A 47 -5.542 -2.136 3.840 1.00 0.01 N ATOM 719 CA ALA A 47 -4.523 -1.062 4.003 1.00 0.01 C ATOM 720 C ALA A 47 -4.758 -0.500 5.401 1.00 0.01 C ATOM 721 O ALA A 47 -5.876 -0.205 5.776 1.00 0.01 O ATOM 722 CB ALA A 47 -4.726 0.026 2.945 1.00 0.24 C ATOM 0 H ALA A 47 -6.497 -1.795 3.727 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.507 -1.437 3.881 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.975 0.805 3.075 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.628 -0.410 1.951 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.720 0.459 3.054 1.00 0.24 H new ATOM 728 N VAL A 48 -3.710 -0.330 6.167 1.00 0.01 N ATOM 729 CA VAL A 48 -3.853 0.236 7.544 1.00 0.02 C ATOM 730 C VAL A 48 -3.082 1.550 7.626 1.00 0.01 C ATOM 731 O VAL A 48 -2.026 1.686 7.044 1.00 0.01 O ATOM 732 CB VAL A 48 -3.309 -0.755 8.575 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.187 -2.008 8.593 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.876 -1.146 8.205 1.00 0.65 C ATOM 0 H VAL A 48 -2.754 -0.561 5.896 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.907 0.418 7.757 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.316 -0.290 9.561 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.799 -2.714 9.328 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.208 -1.733 8.858 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.180 -2.471 7.606 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.490 -1.852 8.940 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.869 -1.609 7.218 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.248 -0.255 8.192 1.00 0.65 H new ATOM 744 N TYR A 49 -3.609 2.520 8.333 1.00 0.01 N ATOM 745 CA TYR A 49 -2.916 3.844 8.446 1.00 0.01 C ATOM 746 C TYR A 49 -2.627 4.152 9.913 1.00 0.01 C ATOM 747 O TYR A 49 -3.347 3.762 10.811 1.00 0.02 O ATOM 748 CB TYR A 49 -3.806 4.929 7.840 1.00 0.01 C ATOM 749 CG TYR A 49 -3.994 4.643 6.367 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.849 3.611 5.958 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.316 5.409 5.409 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.024 3.344 4.595 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.492 5.142 4.046 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.347 4.110 3.639 1.00 0.02 C ATOM 755 OH TYR A 49 -4.521 3.848 2.295 1.00 0.01 O ATOM 0 H TYR A 49 -4.492 2.452 8.839 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.970 3.813 7.905 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.771 4.951 8.346 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.352 5.910 7.978 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.374 3.021 6.695 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.657 6.206 5.722 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.682 2.547 4.281 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -2.968 5.732 3.308 1.00 0.01 H new ATOM 0 HH TYR A 49 -3.980 4.472 1.767 1.00 0.01 H new ATOM 765 N GLU A 50 -1.523 4.806 10.148 1.00 0.01 N ATOM 766 CA GLU A 50 -1.088 5.112 11.539 1.00 0.01 C ATOM 767 C GLU A 50 -2.042 6.098 12.227 1.00 0.01 C ATOM 768 O GLU A 50 -2.237 6.021 13.424 1.00 0.02 O ATOM 769 CB GLU A 50 0.331 5.706 11.482 1.00 0.02 C ATOM 770 CG GLU A 50 1.089 5.387 12.777 1.00 0.01 C ATOM 771 CD GLU A 50 2.437 6.107 12.772 1.00 0.02 C ATOM 772 OE1 GLU A 50 2.455 7.290 12.476 1.00 0.02 O ATOM 773 OE2 GLU A 50 3.432 5.461 13.062 1.00 0.01 O ATOM 0 H GLU A 50 -0.893 5.147 9.421 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.097 4.192 12.124 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.870 5.299 10.626 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.276 6.785 11.340 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.502 5.699 13.641 1.00 0.01 H new ATOM 0 HG3 GLU A 50 1.240 4.311 12.866 1.00 0.01 H new ATOM 780 N ARG A 51 -2.621 7.035 11.504 1.00 0.02 N ATOM 781 CA ARG A 51 -3.541 8.034 12.155 1.00 0.02 C ATOM 782 C ARG A 51 -4.926 7.974 11.471 1.00 0.01 C ATOM 783 O ARG A 51 -5.046 7.514 10.348 1.00 0.02 O ATOM 784 CB ARG A 51 -2.928 9.448 11.971 1.00 0.02 C ATOM 785 CG ARG A 51 -2.176 9.901 13.237 1.00 0.01 C ATOM 786 CD ARG A 51 -0.874 9.112 13.382 1.00 0.02 C ATOM 787 NE ARG A 51 -0.057 9.708 14.480 1.00 0.02 N ATOM 788 CZ ARG A 51 0.953 9.046 14.973 1.00 0.02 C ATOM 789 NH1 ARG A 51 1.261 7.875 14.491 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.658 9.557 15.945 1.00 0.01 N ATOM 0 H ARG A 51 -2.498 7.151 10.498 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.658 7.811 13.215 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.245 9.443 11.122 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.718 10.162 11.740 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -1.960 10.968 13.180 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -2.803 9.750 14.116 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.091 8.066 13.601 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.316 9.133 12.446 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.288 10.632 14.844 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.712 7.477 13.729 1.00 0.02 H new ATOM 0 HH12 ARG A 51 2.051 7.357 14.876 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.419 10.475 16.320 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.448 9.038 16.330 1.00 0.01 H new ATOM 804 N PRO A 52 -5.967 8.442 12.143 1.00 0.02 N ATOM 805 CA PRO A 52 -7.342 8.423 11.564 1.00 0.02 C ATOM 806 C PRO A 52 -7.407 9.112 10.196 1.00 0.01 C ATOM 807 O PRO A 52 -6.520 9.841 9.797 1.00 0.02 O ATOM 808 CB PRO A 52 -8.174 9.178 12.626 1.00 0.02 C ATOM 809 CG PRO A 52 -7.218 9.688 13.721 1.00 0.01 C ATOM 810 CD PRO A 52 -5.851 9.020 13.515 1.00 0.01 C ATOM 0 HA PRO A 52 -7.704 7.413 11.370 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.706 10.012 12.168 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.927 8.518 13.057 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.123 10.773 13.667 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.612 9.451 14.709 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.035 9.740 13.583 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.660 8.250 14.263 1.00 0.01 H new ATOM 818 N ASN A 53 -8.492 8.895 9.506 1.00 0.02 N ATOM 819 CA ASN A 53 -8.696 9.541 8.181 1.00 0.02 C ATOM 820 C ASN A 53 -7.643 9.077 7.172 1.00 0.01 C ATOM 821 O ASN A 53 -7.203 9.824 6.321 1.00 0.01 O ATOM 822 CB ASN A 53 -8.629 11.062 8.349 1.00 0.01 C ATOM 823 CG ASN A 53 -9.307 11.462 9.658 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.378 10.982 9.973 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.724 12.327 10.443 1.00 0.01 N ATOM 0 H ASN A 53 -9.255 8.290 9.809 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.675 9.253 7.797 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.590 11.393 8.350 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.119 11.553 7.509 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -9.167 12.600 11.320 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.825 12.730 10.179 1.00 0.01 H new ATOM 832 N PHE A 54 -7.265 7.831 7.254 1.00 0.02 N ATOM 833 CA PHE A 54 -6.270 7.271 6.298 1.00 0.01 C ATOM 834 C PHE A 54 -5.085 8.223 6.116 1.00 0.01 C ATOM 835 O PHE A 54 -4.720 8.578 5.012 1.00 0.02 O ATOM 836 CB PHE A 54 -6.960 7.023 4.952 1.00 1.78 C ATOM 837 CG PHE A 54 -8.374 6.539 5.193 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.594 5.377 5.942 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.462 7.248 4.666 1.00 2.77 C ATOM 840 CE1 PHE A 54 -9.902 4.925 6.166 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.768 6.796 4.890 1.00 3.32 C ATOM 842 CZ PHE A 54 -10.987 5.634 5.640 1.00 3.39 C ATOM 0 H PHE A 54 -7.608 7.170 7.951 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.884 6.333 6.696 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.973 7.940 4.363 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.404 6.283 4.377 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.756 4.829 6.347 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.293 8.144 4.087 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.072 4.029 6.745 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.606 7.343 4.485 1.00 3.32 H new ATOM 0 HZ PHE A 54 -11.994 5.285 5.812 1.00 3.39 H new ATOM 852 N SER A 55 -4.487 8.632 7.209 1.00 0.02 N ATOM 853 CA SER A 55 -3.314 9.567 7.145 1.00 0.02 C ATOM 854 C SER A 55 -2.133 8.968 7.911 1.00 0.01 C ATOM 855 O SER A 55 -2.289 8.043 8.685 1.00 0.01 O ATOM 856 CB SER A 55 -3.700 10.902 7.782 1.00 1.90 C ATOM 857 OG SER A 55 -2.519 11.627 8.101 1.00 2.33 O ATOM 0 H SER A 55 -4.762 8.357 8.152 1.00 0.02 H new ATOM 0 HA SER A 55 -3.030 9.720 6.104 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.321 11.479 7.097 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.291 10.732 8.682 1.00 1.90 H new ATOM 0 HG SER A 55 -2.762 12.485 8.508 1.00 2.33 H new ATOM 863 N GLY A 56 -0.944 9.473 7.690 1.00 0.02 N ATOM 864 CA GLY A 56 0.254 8.920 8.389 1.00 0.02 C ATOM 865 C GLY A 56 0.833 7.758 7.575 1.00 0.02 C ATOM 866 O GLY A 56 0.573 7.631 6.395 1.00 0.00 O ATOM 0 H GLY A 56 -0.753 10.247 7.053 1.00 0.02 H new ATOM 0 HA2 GLY A 56 1.006 9.699 8.515 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.020 8.577 9.387 1.00 0.02 H new ATOM 870 N HIS A 57 1.629 6.921 8.181 1.00 0.02 N ATOM 871 CA HIS A 57 2.232 5.789 7.418 1.00 0.02 C ATOM 872 C HIS A 57 1.137 4.822 6.971 1.00 0.01 C ATOM 873 O HIS A 57 0.241 4.509 7.727 1.00 0.01 O ATOM 874 CB HIS A 57 3.226 5.049 8.314 1.00 0.00 C ATOM 875 CG HIS A 57 4.265 6.015 8.811 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.929 7.247 9.350 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.636 5.947 8.854 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.074 7.866 9.690 1.00 0.02 C ATOM 879 NE2 HIS A 57 6.145 7.118 9.410 1.00 0.01 N ATOM 0 H HIS A 57 1.888 6.970 9.166 1.00 0.02 H new ATOM 0 HA HIS A 57 2.746 6.180 6.540 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.705 4.594 9.156 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.701 4.241 7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.229 5.113 8.509 1.00 0.01 H new ATOM 0 HE1 HIS A 57 5.122 8.849 10.135 1.00 0.02 H new ATOM 0 HE2 HIS A 57 7.125 7.354 9.569 1.00 0.01 H new ATOM 887 N MET A 58 1.209 4.338 5.748 1.00 0.02 N ATOM 888 CA MET A 58 0.179 3.372 5.244 1.00 0.02 C ATOM 889 C MET A 58 0.861 2.054 4.863 1.00 0.01 C ATOM 890 O MET A 58 1.918 2.039 4.264 1.00 0.01 O ATOM 891 CB MET A 58 -0.525 3.965 4.018 1.00 2.61 C ATOM 892 CG MET A 58 0.453 4.059 2.847 1.00 3.46 C ATOM 893 SD MET A 58 -0.282 5.064 1.533 1.00 4.50 S ATOM 894 CE MET A 58 -1.182 3.734 0.697 1.00 5.01 C ATOM 0 H MET A 58 1.940 4.573 5.077 1.00 0.02 H new ATOM 0 HA MET A 58 -0.558 3.185 6.025 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.377 3.344 3.742 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.916 4.954 4.256 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.392 4.502 3.177 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.686 3.062 2.472 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.904 4.164 0.003 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.479 3.108 0.147 1.00 5.01 H new ATOM 0 HE3 MET A 58 -1.705 3.128 1.437 1.00 5.01 H new ATOM 904 N TYR A 59 0.264 0.947 5.224 1.00 0.02 N ATOM 905 CA TYR A 59 0.858 -0.395 4.915 1.00 0.01 C ATOM 906 C TYR A 59 -0.227 -1.325 4.356 1.00 0.01 C ATOM 907 O TYR A 59 -1.354 -1.333 4.809 1.00 0.02 O ATOM 908 CB TYR A 59 1.418 -1.002 6.203 1.00 0.01 C ATOM 909 CG TYR A 59 2.747 -0.363 6.535 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.914 -0.814 5.907 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.810 0.679 7.467 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.146 -0.223 6.213 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.042 1.270 7.773 1.00 0.01 C ATOM 914 CZ TYR A 59 5.209 0.819 7.145 1.00 0.01 C ATOM 915 OH TYR A 59 6.422 1.402 7.446 1.00 0.01 O ATOM 0 H TYR A 59 -0.623 0.913 5.727 1.00 0.02 H new ATOM 0 HA TYR A 59 1.653 -0.279 4.178 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.716 -0.850 7.023 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.541 -2.079 6.085 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.864 -1.617 5.187 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.909 1.027 7.950 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.047 -0.571 5.730 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.092 2.073 8.493 1.00 0.01 H new ATOM 0 HH TYR A 59 6.289 2.110 8.111 1.00 0.01 H new ATOM 925 N ILE A 60 0.129 -2.123 3.377 1.00 0.02 N ATOM 926 CA ILE A 60 -0.843 -3.088 2.770 1.00 0.01 C ATOM 927 C ILE A 60 -0.670 -4.452 3.455 1.00 0.01 C ATOM 928 O ILE A 60 0.435 -4.924 3.631 1.00 0.01 O ATOM 929 CB ILE A 60 -0.573 -3.218 1.262 1.00 0.45 C ATOM 930 CG1 ILE A 60 -1.066 -1.957 0.541 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.322 -4.435 0.705 1.00 1.21 C ATOM 932 CD1 ILE A 60 -0.375 -0.715 1.114 1.00 1.72 C ATOM 0 H ILE A 60 1.063 -2.147 2.968 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.863 -2.731 2.911 1.00 0.01 H new ATOM 0 HB ILE A 60 0.498 -3.341 1.102 1.00 0.45 H new ATOM 0 HG12 ILE A 60 -0.861 -2.036 -0.527 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -2.146 -1.865 0.652 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.128 -4.524 -0.364 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -0.979 -5.337 1.212 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.392 -4.311 0.871 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -0.733 0.173 0.594 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -0.602 -0.630 2.177 1.00 1.72 H new ATOM 0 HD13 ILE A 60 0.703 -0.804 0.980 1.00 1.72 H new ATOM 944 N LEU A 61 -1.754 -5.070 3.868 1.00 0.01 N ATOM 945 CA LEU A 61 -1.660 -6.393 4.578 1.00 0.01 C ATOM 946 C LEU A 61 -2.431 -7.486 3.787 1.00 0.01 C ATOM 947 O LEU A 61 -3.646 -7.469 3.767 1.00 0.00 O ATOM 948 CB LEU A 61 -2.298 -6.222 5.987 1.00 0.01 C ATOM 949 CG LEU A 61 -1.272 -6.507 7.100 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.811 -6.001 8.440 1.00 0.01 C ATOM 951 CD2 LEU A 61 -1.031 -8.014 7.201 1.00 0.01 C ATOM 0 H LEU A 61 -2.703 -4.716 3.745 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.618 -6.701 4.659 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.683 -5.208 6.094 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -3.147 -6.898 6.089 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.338 -5.997 6.862 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -1.083 -6.204 9.225 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -1.988 -4.927 8.379 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.746 -6.511 8.672 1.00 0.01 H new ATOM 0 HD21 LEU A 61 -0.305 -8.214 7.989 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -1.969 -8.518 7.435 1.00 0.01 H new ATOM 0 HD23 LEU A 61 -0.647 -8.386 6.251 1.00 0.01 H new ATOM 963 N PRO A 62 -1.764 -8.449 3.164 1.00 0.02 N ATOM 964 CA PRO A 62 -2.498 -9.529 2.443 1.00 0.01 C ATOM 965 C PRO A 62 -3.071 -10.544 3.443 1.00 0.00 C ATOM 966 O PRO A 62 -2.740 -10.521 4.613 1.00 0.02 O ATOM 967 CB PRO A 62 -1.398 -10.149 1.567 1.00 1.47 C ATOM 968 CG PRO A 62 -0.036 -9.709 2.136 1.00 1.29 C ATOM 969 CD PRO A 62 -0.272 -8.540 3.114 1.00 0.82 C ATOM 0 HA PRO A 62 -3.353 -9.180 1.864 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.478 -11.236 1.566 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.504 -9.821 0.533 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.447 -10.541 2.649 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.630 -9.401 1.330 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.154 -8.742 4.097 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.178 -7.615 2.755 1.00 0.82 H new ATOM 977 N GLN A 63 -3.929 -11.428 3.006 1.00 0.02 N ATOM 978 CA GLN A 63 -4.518 -12.426 3.947 1.00 0.00 C ATOM 979 C GLN A 63 -3.412 -13.173 4.698 1.00 0.00 C ATOM 980 O GLN A 63 -2.391 -13.513 4.132 1.00 0.02 O ATOM 981 CB GLN A 63 -5.353 -13.429 3.150 1.00 1.27 C ATOM 982 CG GLN A 63 -6.412 -12.681 2.337 1.00 1.67 C ATOM 983 CD GLN A 63 -7.162 -13.669 1.441 1.00 2.43 C ATOM 984 OE1 GLN A 63 -7.021 -14.867 1.588 1.00 4.25 O ATOM 985 NE2 GLN A 63 -7.957 -13.213 0.511 1.00 3.04 N ATOM 0 H GLN A 63 -4.247 -11.502 2.040 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.144 -11.905 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.710 -14.006 2.486 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -5.832 -14.138 3.826 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -7.111 -12.178 3.006 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -5.940 -11.909 1.729 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -8.075 -12.207 0.389 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -8.461 -13.863 -0.093 1.00 3.04 H new ATOM 994 N GLY A 64 -3.601 -13.442 5.968 1.00 0.02 N ATOM 995 CA GLY A 64 -2.548 -14.176 6.732 1.00 0.01 C ATOM 996 C GLY A 64 -2.646 -13.851 8.226 1.00 0.02 C ATOM 997 O GLY A 64 -3.521 -13.133 8.667 1.00 0.02 O ATOM 0 H GLY A 64 -4.431 -13.187 6.503 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.661 -15.249 6.579 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.561 -13.902 6.358 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.740 -14.382 9.006 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.744 -14.126 10.482 1.00 0.02 C ATOM 1003 C GLU A 65 -0.448 -13.417 10.873 1.00 0.02 C ATOM 1004 O GLU A 65 0.638 -13.839 10.530 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.827 -15.465 11.221 1.00 0.77 C ATOM 1006 CG GLU A 65 -2.100 -15.216 12.708 1.00 0.49 C ATOM 1007 CD GLU A 65 -1.820 -16.494 13.501 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -2.273 -17.543 13.077 1.00 0.96 O ATOM 1009 OE2 GLU A 65 -1.157 -16.400 14.522 1.00 0.71 O ATOM 0 H GLU A 65 -0.988 -14.990 8.681 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.598 -13.503 10.747 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.619 -16.079 10.793 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.895 -16.017 11.100 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -1.471 -14.404 13.073 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -3.135 -14.906 12.851 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.569 -12.338 11.605 1.00 0.02 N ATOM 1017 CA TYR A 66 0.626 -11.567 12.060 1.00 0.02 C ATOM 1018 C TYR A 66 0.602 -11.522 13.601 1.00 0.02 C ATOM 1019 O TYR A 66 -0.067 -10.687 14.180 1.00 0.02 O ATOM 1020 CB TYR A 66 0.525 -10.150 11.494 1.00 0.01 C ATOM 1021 CG TYR A 66 0.594 -10.229 9.985 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.493 -10.731 9.257 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.752 -9.823 9.314 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.420 -10.823 7.862 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.826 -9.917 7.920 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.741 -10.417 7.194 1.00 0.02 C ATOM 1027 OH TYR A 66 0.814 -10.508 5.819 1.00 0.01 O ATOM 0 H TYR A 66 -1.463 -11.953 11.911 1.00 0.02 H new ATOM 0 HA TYR A 66 1.553 -12.029 11.719 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.409 -9.683 11.806 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.335 -9.530 11.878 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.388 -11.047 9.773 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.591 -9.436 9.873 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.259 -11.207 7.301 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.722 -9.603 7.405 1.00 0.02 H new ATOM 0 HH TYR A 66 1.688 -10.184 5.516 1.00 0.01 H new ATOM 1037 N PRO A 67 1.296 -12.422 14.276 1.00 0.01 N ATOM 1038 CA PRO A 67 1.278 -12.438 15.767 1.00 0.02 C ATOM 1039 C PRO A 67 1.952 -11.217 16.414 1.00 0.02 C ATOM 1040 O PRO A 67 1.928 -11.075 17.620 1.00 0.02 O ATOM 1041 CB PRO A 67 2.034 -13.744 16.109 1.00 0.02 C ATOM 1042 CG PRO A 67 2.496 -14.404 14.793 1.00 0.02 C ATOM 1043 CD PRO A 67 2.121 -13.480 13.621 1.00 0.01 C ATOM 0 HA PRO A 67 0.260 -12.396 16.155 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.892 -13.529 16.746 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.386 -14.422 16.665 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.573 -14.572 14.812 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.023 -15.379 14.672 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.004 -13.062 13.139 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.560 -14.011 12.852 1.00 0.01 H new ATOM 1051 N GLU A 68 2.535 -10.327 15.656 1.00 0.01 N ATOM 1052 CA GLU A 68 3.176 -9.136 16.286 1.00 0.01 C ATOM 1053 C GLU A 68 3.263 -8.028 15.239 1.00 0.03 C ATOM 1054 O GLU A 68 3.246 -8.266 14.049 1.00 0.02 O ATOM 1055 CB GLU A 68 4.594 -9.488 16.753 1.00 0.69 C ATOM 1056 CG GLU A 68 4.533 -10.448 17.943 1.00 1.09 C ATOM 1057 CD GLU A 68 5.902 -10.510 18.623 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.879 -10.159 17.981 1.00 1.55 O ATOM 1059 OE2 GLU A 68 5.952 -10.907 19.776 1.00 2.02 O ATOM 0 H GLU A 68 2.595 -10.371 14.639 1.00 0.01 H new ATOM 0 HA GLU A 68 2.587 -8.813 17.144 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.151 -9.945 15.935 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.128 -8.581 17.035 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.777 -10.114 18.654 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.237 -11.442 17.607 1.00 1.09 H new ATOM 1066 N TYR A 69 3.309 -6.806 15.691 1.00 0.02 N ATOM 1067 CA TYR A 69 3.335 -5.658 14.746 1.00 0.02 C ATOM 1068 C TYR A 69 4.566 -5.703 13.836 1.00 0.01 C ATOM 1069 O TYR A 69 4.491 -5.395 12.665 1.00 0.01 O ATOM 1070 CB TYR A 69 3.274 -4.344 15.531 1.00 0.02 C ATOM 1071 CG TYR A 69 4.574 -4.121 16.269 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.849 -4.846 17.436 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.500 -3.186 15.792 1.00 0.02 C ATOM 1074 CE1 TYR A 69 6.050 -4.635 18.124 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.700 -2.976 16.480 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.976 -3.699 17.645 1.00 0.02 C ATOM 1077 OH TYR A 69 8.159 -3.490 18.324 1.00 0.01 O ATOM 0 H TYR A 69 3.330 -6.553 16.679 1.00 0.02 H new ATOM 0 HA TYR A 69 2.461 -5.724 14.098 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.085 -3.513 14.851 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.445 -4.372 16.238 1.00 0.02 H new ATOM 0 HD1 TYR A 69 4.135 -5.567 17.805 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.288 -2.627 14.893 1.00 0.02 H new ATOM 0 HE1 TYR A 69 6.263 -5.194 19.024 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.414 -2.255 16.111 1.00 0.02 H new ATOM 0 HH TYR A 69 8.304 -4.221 18.961 1.00 0.01 H new ATOM 1087 N GLN A 70 5.700 -6.085 14.362 1.00 0.01 N ATOM 1088 CA GLN A 70 6.933 -6.154 13.526 1.00 0.02 C ATOM 1089 C GLN A 70 6.737 -7.140 12.367 1.00 0.01 C ATOM 1090 O GLN A 70 7.390 -7.058 11.347 1.00 0.02 O ATOM 1091 CB GLN A 70 8.098 -6.637 14.392 1.00 0.01 C ATOM 1092 CG GLN A 70 8.255 -5.714 15.600 1.00 0.01 C ATOM 1093 CD GLN A 70 9.565 -6.035 16.321 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.162 -7.066 16.088 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.038 -5.189 17.194 1.00 0.02 N ATOM 0 H GLN A 70 5.825 -6.353 15.338 1.00 0.01 H new ATOM 0 HA GLN A 70 7.143 -5.163 13.123 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.918 -7.660 14.724 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.018 -6.648 13.808 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.250 -4.673 15.278 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.413 -5.841 16.280 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.536 -4.323 17.389 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.910 -5.393 17.682 1.00 0.02 H new ATOM 1104 N ARG A 71 5.830 -8.072 12.524 1.00 0.01 N ATOM 1105 CA ARG A 71 5.581 -9.061 11.435 1.00 0.02 C ATOM 1106 C ARG A 71 4.896 -8.344 10.274 1.00 0.01 C ATOM 1107 O ARG A 71 4.873 -8.809 9.153 1.00 0.02 O ATOM 1108 CB ARG A 71 4.683 -10.192 11.947 1.00 0.34 C ATOM 1109 CG ARG A 71 4.657 -11.341 10.926 1.00 0.72 C ATOM 1110 CD ARG A 71 6.051 -11.998 10.807 1.00 1.04 C ATOM 1111 NE ARG A 71 6.821 -11.381 9.673 1.00 1.67 N ATOM 1112 CZ ARG A 71 6.378 -11.404 8.442 1.00 2.47 C ATOM 1113 NH1 ARG A 71 5.297 -12.068 8.140 1.00 2.54 N ATOM 1114 NH2 ARG A 71 7.044 -10.788 7.503 1.00 3.42 N ATOM 0 H ARG A 71 5.254 -8.189 13.357 1.00 0.01 H new ATOM 0 HA ARG A 71 6.527 -9.491 11.104 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.051 -10.555 12.907 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.673 -9.819 12.114 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.923 -12.087 11.229 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.344 -10.963 9.953 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.601 -11.873 11.740 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.943 -13.070 10.642 1.00 1.04 H new ATOM 0 HE ARG A 71 7.715 -10.931 9.869 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.790 -12.575 8.866 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.958 -12.081 7.178 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.906 -10.292 7.731 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.703 -10.803 6.542 1.00 3.42 H new ATOM 1128 N TRP A 72 4.334 -7.201 10.560 1.00 0.02 N ATOM 1129 CA TRP A 72 3.627 -6.395 9.523 1.00 0.01 C ATOM 1130 C TRP A 72 4.511 -5.181 9.206 1.00 0.01 C ATOM 1131 O TRP A 72 4.116 -4.256 8.528 1.00 0.02 O ATOM 1132 CB TRP A 72 2.251 -6.000 10.118 1.00 0.02 C ATOM 1133 CG TRP A 72 1.808 -4.635 9.693 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.526 -4.263 8.427 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.563 -3.467 10.530 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.133 -2.938 8.431 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.141 -2.403 9.705 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.672 -3.234 11.913 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.835 -1.145 10.232 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.365 -1.972 12.448 1.00 0.02 C ATOM 1141 CH2 TRP A 72 0.948 -0.930 11.609 1.00 0.02 C ATOM 0 H TRP A 72 4.335 -6.783 11.490 1.00 0.02 H new ATOM 0 HA TRP A 72 3.454 -6.934 8.592 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.504 -6.732 9.811 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.306 -6.037 11.206 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.596 -4.896 7.555 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.869 -2.418 7.594 1.00 0.02 H new ATOM 0 HE3 TRP A 72 1.994 -4.030 12.568 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.514 -0.345 9.581 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.451 -1.804 13.511 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.714 0.039 12.026 1.00 0.02 H new ATOM 1152 N MET A 73 5.718 -5.205 9.698 1.00 0.02 N ATOM 1153 CA MET A 73 6.673 -4.085 9.451 1.00 0.02 C ATOM 1154 C MET A 73 6.133 -2.773 10.032 1.00 0.01 C ATOM 1155 O MET A 73 6.517 -1.695 9.627 1.00 0.02 O ATOM 1156 CB MET A 73 6.898 -3.919 7.945 1.00 0.02 C ATOM 1157 CG MET A 73 7.066 -5.294 7.292 1.00 0.01 C ATOM 1158 SD MET A 73 7.717 -5.087 5.616 1.00 0.01 S ATOM 1159 CE MET A 73 6.131 -4.804 4.790 1.00 0.01 C ATOM 0 H MET A 73 6.090 -5.964 10.269 1.00 0.02 H new ATOM 0 HA MET A 73 7.617 -4.324 9.941 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.054 -3.394 7.497 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.784 -3.310 7.765 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.743 -5.910 7.884 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.108 -5.814 7.261 1.00 0.01 H new ATOM 0 HE1 MET A 73 6.298 -4.649 3.724 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.486 -5.671 4.934 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.652 -3.921 5.214 1.00 0.01 H new ATOM 1169 N GLY A 74 5.240 -2.864 10.981 1.00 0.02 N ATOM 1170 CA GLY A 74 4.674 -1.631 11.591 1.00 0.02 C ATOM 1171 C GLY A 74 5.802 -0.810 12.210 1.00 0.01 C ATOM 1172 O GLY A 74 6.731 -1.349 12.776 1.00 0.01 O ATOM 0 H GLY A 74 4.879 -3.740 11.359 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.154 -1.043 10.835 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.939 -1.893 12.352 1.00 0.02 H new ATOM 1176 N LEU A 75 5.712 0.491 12.148 1.00 0.02 N ATOM 1177 CA LEU A 75 6.769 1.328 12.784 1.00 0.02 C ATOM 1178 C LEU A 75 6.489 1.357 14.292 1.00 0.01 C ATOM 1179 O LEU A 75 7.388 1.421 15.104 1.00 0.02 O ATOM 1180 CB LEU A 75 6.733 2.749 12.203 1.00 0.55 C ATOM 1181 CG LEU A 75 7.959 3.554 12.689 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.170 3.272 11.791 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.644 5.054 12.636 1.00 0.42 C ATOM 0 H LEU A 75 4.961 1.006 11.689 1.00 0.02 H new ATOM 0 HA LEU A 75 7.759 0.914 12.591 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.726 2.705 11.114 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.815 3.251 12.507 1.00 0.55 H new ATOM 0 HG LEU A 75 8.188 3.255 13.712 1.00 0.58 H new ATOM 0 HD11 LEU A 75 10.027 3.846 12.145 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.407 2.209 11.823 1.00 0.98 H new ATOM 0 HD13 LEU A 75 8.938 3.561 10.766 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.510 5.620 12.979 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.406 5.340 11.611 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.791 5.270 13.280 1.00 0.42 H new ATOM 1195 N ASN A 76 5.236 1.270 14.661 1.00 0.01 N ATOM 1196 CA ASN A 76 4.840 1.248 16.093 1.00 0.02 C ATOM 1197 C ASN A 76 3.475 0.562 16.149 1.00 0.02 C ATOM 1198 O ASN A 76 3.018 0.020 15.162 1.00 0.02 O ATOM 1199 CB ASN A 76 4.740 2.678 16.630 1.00 0.02 C ATOM 1200 CG ASN A 76 3.798 3.491 15.741 1.00 0.02 C ATOM 1201 OD1 ASN A 76 2.760 3.008 15.333 1.00 0.01 O ATOM 1202 ND2 ASN A 76 4.117 4.715 15.421 1.00 0.02 N ATOM 0 H ASN A 76 4.454 1.212 14.008 1.00 0.01 H new ATOM 0 HA ASN A 76 5.572 0.719 16.703 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.371 2.668 17.656 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.727 3.140 16.651 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.495 5.266 14.829 1.00 0.02 H new ATOM 0 HD22 ASN A 76 4.988 5.121 15.763 1.00 0.02 H new ATOM 1209 N ASP A 77 2.815 0.558 17.277 1.00 0.01 N ATOM 1210 CA ASP A 77 1.483 -0.122 17.357 1.00 0.01 C ATOM 1211 C ASP A 77 0.358 0.901 17.200 1.00 0.01 C ATOM 1212 O ASP A 77 -0.729 0.713 17.709 1.00 0.01 O ATOM 1213 CB ASP A 77 1.344 -0.798 18.721 1.00 0.01 C ATOM 1214 CG ASP A 77 2.283 -2.002 18.790 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.792 -2.393 17.753 1.00 0.02 O ATOM 1216 OD2 ASP A 77 2.477 -2.515 19.880 1.00 0.01 O ATOM 0 H ASP A 77 3.135 0.992 18.143 1.00 0.01 H new ATOM 0 HA ASP A 77 1.415 -0.861 16.558 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.583 -0.091 19.515 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.314 -1.117 18.877 1.00 0.01 H new ATOM 1221 N ARG A 78 0.598 1.987 16.509 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.470 3.019 16.345 1.00 0.01 C ATOM 1223 C ARG A 78 -1.210 2.823 15.021 1.00 0.02 C ATOM 1224 O ARG A 78 -0.622 2.862 13.959 1.00 0.02 O ATOM 1225 CB ARG A 78 0.166 4.415 16.385 1.00 0.43 C ATOM 1226 CG ARG A 78 0.855 4.650 17.743 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.147 5.217 18.755 1.00 1.00 C ATOM 1228 NE ARG A 78 -0.527 6.602 18.355 1.00 1.30 N ATOM 1229 CZ ARG A 78 -1.574 7.169 18.888 1.00 2.30 C ATOM 1230 NH1 ARG A 78 -2.294 6.522 19.764 1.00 2.72 N ATOM 1231 NH2 ARG A 78 -1.904 8.386 18.543 1.00 3.20 N ATOM 0 H ARG A 78 1.484 2.203 16.053 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.189 2.918 17.158 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.893 4.514 15.579 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.598 5.175 16.221 1.00 0.43 H new ATOM 0 HG2 ARG A 78 1.269 3.713 18.116 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.689 5.341 17.621 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.033 4.584 18.799 1.00 1.00 H new ATOM 0 HD3 ARG A 78 0.291 5.222 19.753 1.00 1.00 H new ATOM 0 HE ARG A 78 0.031 7.106 17.665 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -2.038 5.572 20.033 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -3.112 6.967 20.180 1.00 2.72 H new ATOM 0 HH21 ARG A 78 -1.343 8.892 17.857 1.00 3.20 H new ATOM 0 HH22 ARG A 78 -2.723 8.830 18.959 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.502 2.636 15.080 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.315 2.467 13.838 1.00 0.01 C ATOM 1247 C LEU A 79 -4.677 3.126 14.085 1.00 0.01 C ATOM 1248 O LEU A 79 -5.380 2.774 15.013 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.497 0.974 13.540 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.224 0.396 12.891 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.401 -1.116 12.707 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.953 1.061 11.521 1.00 2.61 C ATOM 0 H LEU A 79 -3.036 2.593 15.948 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.819 2.928 12.984 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.718 0.437 14.462 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.349 0.831 12.875 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.372 0.597 13.541 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.505 -1.534 12.248 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.564 -1.584 13.678 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.260 -1.306 12.064 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.050 0.637 11.083 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.798 0.882 10.856 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.820 2.134 11.657 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.034 4.116 13.295 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.330 4.847 13.521 1.00 0.02 C ATOM 1266 C GLY A 80 -7.380 4.547 12.443 1.00 0.02 C ATOM 1267 O GLY A 80 -8.554 4.813 12.638 1.00 0.01 O ATOM 0 H GLY A 80 -4.485 4.450 12.503 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.730 4.573 14.497 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.137 5.920 13.545 1.00 0.02 H new ATOM 1271 N SER A 81 -7.009 3.997 11.318 1.00 0.01 N ATOM 1272 CA SER A 81 -8.040 3.713 10.272 1.00 0.01 C ATOM 1273 C SER A 81 -7.572 2.586 9.359 1.00 0.02 C ATOM 1274 O SER A 81 -6.391 2.330 9.214 1.00 0.01 O ATOM 1275 CB SER A 81 -8.278 4.970 9.436 1.00 0.01 C ATOM 1276 OG SER A 81 -7.090 5.289 8.723 1.00 0.01 O ATOM 0 H SER A 81 -6.053 3.735 11.078 1.00 0.01 H new ATOM 0 HA SER A 81 -8.965 3.413 10.764 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.101 4.808 8.740 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.564 5.801 10.081 1.00 0.01 H new ATOM 0 HG SER A 81 -6.612 6.006 9.189 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.504 1.911 8.740 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.142 0.792 7.824 1.00 0.01 C ATOM 1284 C CYS A 82 -9.123 0.748 6.650 1.00 0.01 C ATOM 1285 O CYS A 82 -10.284 1.080 6.784 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.198 -0.534 8.583 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.488 -1.846 7.557 1.00 0.02 S ATOM 0 H CYS A 82 -9.504 2.088 8.830 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.132 0.952 7.447 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.648 -0.452 9.520 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -9.230 -0.776 8.839 1.00 0.01 H new ATOM 0 HG CYS A 82 -6.675 -1.324 6.687 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.664 0.331 5.500 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.560 0.249 4.304 1.00 0.01 C ATOM 1295 C ARG A 83 -9.312 -1.074 3.592 1.00 0.01 C ATOM 1296 O ARG A 83 -8.192 -1.529 3.471 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.224 1.378 3.328 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.413 2.731 4.013 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.306 3.841 2.967 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.085 3.626 2.137 1.00 0.01 N ATOM 1301 CZ ARG A 83 -7.951 4.255 1.002 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -8.882 5.075 0.597 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -6.885 4.064 0.272 1.00 0.01 N ATOM 0 H ARG A 83 -7.700 0.041 5.334 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.598 0.329 4.628 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.196 1.277 2.981 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.865 1.313 2.449 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.385 2.771 4.505 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -8.658 2.869 4.787 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.193 3.845 2.334 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.259 4.814 3.457 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.356 2.988 2.457 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -9.714 5.224 1.168 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -8.778 5.567 -0.290 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.158 3.423 0.589 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -6.780 4.556 -0.616 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.353 -1.703 3.116 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.176 -2.997 2.411 1.00 0.01 C ATOM 1319 C ALA A 84 -9.659 -2.721 1.005 1.00 0.01 C ATOM 1320 O ALA A 84 -10.207 -1.923 0.270 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.520 -3.724 2.317 1.00 0.43 C ATOM 0 H ALA A 84 -11.316 -1.374 3.187 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.468 -3.619 2.959 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.385 -4.673 1.799 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -11.904 -3.910 3.320 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.229 -3.107 1.765 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.617 -3.398 0.622 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.055 -3.217 -0.739 1.00 0.01 C ATOM 1329 C VAL A 85 -8.770 -4.188 -1.678 1.00 0.01 C ATOM 1330 O VAL A 85 -8.773 -5.382 -1.457 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.553 -3.517 -0.712 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -5.944 -3.181 -2.069 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -5.873 -2.663 0.361 1.00 1.12 C ATOM 0 H VAL A 85 -8.125 -4.078 1.202 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.199 -2.193 -1.083 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.405 -4.573 -0.488 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -4.875 -3.394 -2.051 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.421 -3.784 -2.841 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.100 -2.124 -2.286 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -4.805 -2.880 0.376 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.025 -1.607 0.136 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.304 -2.893 1.336 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.380 -3.698 -2.720 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.095 -4.607 -3.664 1.00 0.01 C ATOM 1345 C HIS A 86 -9.132 -5.008 -4.775 1.00 0.01 C ATOM 1346 O HIS A 86 -8.434 -4.188 -5.333 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.294 -3.870 -4.265 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.013 -3.124 -3.175 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.008 -1.740 -3.100 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.760 -3.555 -2.106 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -12.732 -1.390 -2.020 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.212 -2.459 -1.379 1.00 1.71 N ATOM 0 H HIS A 86 -9.416 -2.707 -2.961 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.446 -5.495 -3.139 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -10.960 -3.177 -5.037 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -11.969 -4.579 -4.743 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -12.965 -4.588 -1.866 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -12.904 -0.370 -1.710 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.787 -2.469 -0.537 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.090 -6.273 -5.098 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.171 -6.750 -6.172 1.00 0.01 C ATOM 1362 C LEU A 87 -8.975 -6.881 -7.467 1.00 0.01 C ATOM 1363 O LEU A 87 -10.083 -7.380 -7.469 1.00 0.01 O ATOM 1364 CB LEU A 87 -7.601 -8.131 -5.775 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.566 -8.277 -4.245 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -6.837 -9.577 -3.887 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.849 -7.072 -3.598 1.00 1.34 C ATOM 0 H LEU A 87 -9.656 -7.001 -4.661 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.348 -6.048 -6.311 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.213 -8.922 -6.208 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -6.596 -8.247 -6.181 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.587 -8.307 -3.864 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.806 -9.690 -2.803 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.366 -10.423 -4.326 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -5.820 -9.543 -4.277 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.835 -7.195 -2.515 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.826 -7.015 -3.970 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.379 -6.154 -3.852 1.00 1.34 H new ATOM 1379 N SER A 88 -8.415 -6.463 -8.573 1.00 0.01 N ATOM 1380 CA SER A 88 -9.117 -6.583 -9.887 1.00 0.01 C ATOM 1381 C SER A 88 -8.402 -7.636 -10.731 1.00 0.01 C ATOM 1382 O SER A 88 -7.214 -7.523 -10.960 1.00 0.01 O ATOM 1383 CB SER A 88 -9.077 -5.240 -10.618 1.00 0.81 C ATOM 1384 OG SER A 88 -9.999 -5.268 -11.701 1.00 1.08 O ATOM 0 H SER A 88 -7.489 -6.038 -8.622 1.00 0.01 H new ATOM 0 HA SER A 88 -10.155 -6.872 -9.724 1.00 0.01 H new ATOM 0 HB2 SER A 88 -9.329 -4.431 -9.932 1.00 0.81 H new ATOM 0 HB3 SER A 88 -8.070 -5.043 -10.987 1.00 0.81 H new ATOM 0 HG SER A 88 -9.978 -4.408 -12.171 1.00 1.08 H new ATOM 1390 N SER A 89 -9.090 -8.624 -11.246 1.00 0.01 N ATOM 1391 CA SER A 89 -8.408 -9.624 -12.127 1.00 0.01 C ATOM 1392 C SER A 89 -8.822 -9.288 -13.555 1.00 0.01 C ATOM 1393 O SER A 89 -9.202 -8.165 -13.822 1.00 0.01 O ATOM 1394 CB SER A 89 -8.875 -11.037 -11.777 1.00 0.43 C ATOM 1395 OG SER A 89 -10.170 -11.252 -12.323 1.00 1.26 O ATOM 0 H SER A 89 -10.087 -8.782 -11.097 1.00 0.01 H new ATOM 0 HA SER A 89 -7.326 -9.586 -12.002 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.174 -11.772 -12.172 1.00 0.43 H new ATOM 0 HB3 SER A 89 -8.898 -11.168 -10.695 1.00 0.43 H new ATOM 0 HG SER A 89 -10.472 -12.158 -12.102 1.00 1.26 H new ATOM 1401 N GLY A 90 -8.809 -10.223 -14.475 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.265 -9.905 -15.867 1.00 0.00 C ATOM 1403 C GLY A 90 -8.334 -10.493 -16.930 1.00 0.00 C ATOM 1404 O GLY A 90 -8.789 -11.108 -17.874 1.00 0.01 O ATOM 0 H GLY A 90 -8.505 -11.185 -14.325 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.273 -10.293 -16.015 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.318 -8.823 -15.992 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.044 -10.329 -16.805 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.147 -10.911 -17.839 1.00 0.00 C ATOM 1410 C GLY A 91 -4.677 -10.574 -17.571 1.00 0.00 C ATOM 1411 O GLY A 91 -4.037 -11.212 -16.757 1.00 0.01 O ATOM 0 H GLY A 91 -6.582 -9.827 -16.047 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.273 -11.993 -17.862 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.433 -10.535 -18.821 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.130 -9.595 -18.252 1.00 1.80 N ATOM 1416 CA GLN A 92 -2.686 -9.233 -18.046 1.00 2.31 C ATOM 1417 C GLN A 92 -2.566 -7.779 -17.581 1.00 1.91 C ATOM 1418 O GLN A 92 -2.960 -6.852 -18.261 1.00 2.31 O ATOM 1419 CB GLN A 92 -1.937 -9.447 -19.369 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.439 -9.634 -19.103 1.00 2.86 C ATOM 1421 CD GLN A 92 0.118 -8.399 -18.392 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.217 -7.339 -18.977 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.490 -8.494 -17.144 1.00 4.43 N ATOM 0 H GLN A 92 -4.620 -9.028 -18.944 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.248 -9.865 -17.274 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.335 -10.322 -19.883 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.093 -8.592 -20.027 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.277 -10.521 -18.491 1.00 2.86 H new ATOM 0 HG3 GLN A 92 0.090 -9.794 -20.043 1.00 2.86 H new ATOM 0 HE21 GLN A 92 0.407 -9.384 -16.653 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.864 -7.678 -16.660 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.021 -7.590 -16.405 1.00 0.01 N ATOM 1433 CA ALA A 93 -1.868 -6.209 -15.864 1.00 0.01 C ATOM 1434 C ALA A 93 -0.690 -5.524 -16.564 1.00 0.01 C ATOM 1435 O ALA A 93 0.388 -6.074 -16.664 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.592 -6.273 -14.360 1.00 2.99 C ATOM 0 H ALA A 93 -1.676 -8.334 -15.798 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.784 -5.645 -16.040 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.481 -5.262 -13.967 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.424 -6.768 -13.858 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.675 -6.835 -14.182 1.00 2.99 H new ATOM 1442 N LYS A 94 -0.895 -4.328 -17.055 1.00 0.00 N ATOM 1443 CA LYS A 94 0.198 -3.585 -17.763 1.00 0.01 C ATOM 1444 C LYS A 94 0.286 -2.161 -17.206 1.00 0.01 C ATOM 1445 O LYS A 94 -0.718 -1.529 -16.948 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.150 -3.540 -19.253 1.00 2.49 C ATOM 1447 CG LYS A 94 1.039 -2.984 -20.042 1.00 3.43 C ATOM 1448 CD LYS A 94 0.797 -3.171 -21.544 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.513 -2.489 -21.951 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.649 -1.195 -21.224 1.00 6.36 N ATOM 0 H LYS A 94 -1.782 -3.827 -16.996 1.00 0.00 H new ATOM 0 HA LYS A 94 1.158 -4.080 -17.616 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.400 -4.540 -19.609 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.029 -2.916 -19.413 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.176 -1.927 -19.815 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.955 -3.495 -19.745 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.628 -2.749 -22.110 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.754 -4.233 -21.785 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.526 -2.316 -23.027 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -1.359 -3.137 -21.722 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.248 -0.548 -21.776 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.086 -1.363 -20.295 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 0.291 -0.770 -21.093 1.00 6.36 H new ATOM 1464 N ILE A 95 1.485 -1.654 -17.014 1.00 0.00 N ATOM 1465 CA ILE A 95 1.642 -0.264 -16.468 1.00 0.01 C ATOM 1466 C ILE A 95 2.595 0.537 -17.359 1.00 0.01 C ATOM 1467 O ILE A 95 3.575 0.025 -17.869 1.00 0.01 O ATOM 1468 CB ILE A 95 2.207 -0.337 -15.043 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.508 1.076 -14.538 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.492 -1.163 -15.037 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.739 1.039 -13.026 1.00 1.09 C ATOM 0 H ILE A 95 2.359 -2.142 -17.211 1.00 0.00 H new ATOM 0 HA ILE A 95 0.670 0.229 -16.449 1.00 0.01 H new ATOM 0 HB ILE A 95 1.472 -0.809 -14.391 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.389 1.474 -15.042 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.678 1.742 -14.774 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.889 -1.211 -14.023 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.278 -2.171 -15.392 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.227 -0.696 -15.692 1.00 0.36 H new ATOM 0 HD11 ILE A 95 2.953 2.045 -12.666 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.845 0.659 -12.531 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.583 0.386 -12.803 1.00 1.09 H new ATOM 1483 N GLN A 96 2.331 1.815 -17.502 1.00 0.01 N ATOM 1484 CA GLN A 96 3.228 2.710 -18.298 1.00 0.01 C ATOM 1485 C GLN A 96 3.688 3.839 -17.372 1.00 0.01 C ATOM 1486 O GLN A 96 2.887 4.420 -16.665 1.00 0.00 O ATOM 1487 CB GLN A 96 2.484 3.276 -19.513 1.00 0.53 C ATOM 1488 CG GLN A 96 1.059 3.640 -19.126 1.00 0.82 C ATOM 1489 CD GLN A 96 0.420 4.455 -20.252 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -0.687 4.181 -20.667 1.00 1.75 O ATOM 1491 NE2 GLN A 96 1.080 5.455 -20.770 1.00 2.05 N ATOM 0 H GLN A 96 1.520 2.281 -17.095 1.00 0.01 H new ATOM 0 HA GLN A 96 4.086 2.153 -18.675 1.00 0.01 H new ATOM 0 HB2 GLN A 96 3.004 4.157 -19.890 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.475 2.542 -20.319 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.478 2.736 -18.941 1.00 0.82 H new ATOM 0 HG3 GLN A 96 1.057 4.215 -18.200 1.00 0.82 H new ATOM 0 HE21 GLN A 96 2.011 5.687 -20.422 1.00 2.05 H new ATOM 0 HE22 GLN A 96 0.665 6.005 -21.522 1.00 2.05 H new ATOM 1500 N VAL A 97 4.956 4.166 -17.361 1.00 0.01 N ATOM 1501 CA VAL A 97 5.453 5.266 -16.468 1.00 0.01 C ATOM 1502 C VAL A 97 6.158 6.321 -17.315 1.00 0.01 C ATOM 1503 O VAL A 97 6.754 6.020 -18.329 1.00 0.01 O ATOM 1504 CB VAL A 97 6.442 4.688 -15.453 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.720 3.684 -14.554 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.581 3.981 -16.191 1.00 1.03 C ATOM 0 H VAL A 97 5.673 3.719 -17.932 1.00 0.01 H new ATOM 0 HA VAL A 97 4.613 5.719 -15.942 1.00 0.01 H new ATOM 0 HB VAL A 97 6.850 5.496 -14.845 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.424 3.272 -13.831 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.909 4.186 -14.026 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.312 2.878 -15.163 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.284 3.570 -15.467 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.174 3.174 -16.800 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.097 4.695 -16.833 1.00 1.03 H new ATOM 1516 N PHE A 98 6.068 7.568 -16.911 1.00 0.01 N ATOM 1517 CA PHE A 98 6.705 8.678 -17.697 1.00 0.01 C ATOM 1518 C PHE A 98 7.765 9.404 -16.865 1.00 0.01 C ATOM 1519 O PHE A 98 7.628 9.600 -15.674 1.00 0.01 O ATOM 1520 CB PHE A 98 5.627 9.674 -18.115 1.00 0.25 C ATOM 1521 CG PHE A 98 4.702 9.021 -19.118 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.579 8.313 -18.673 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.964 9.127 -20.489 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.718 7.712 -19.600 1.00 0.56 C ATOM 1525 CE2 PHE A 98 4.102 8.528 -21.415 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.979 7.820 -20.971 1.00 0.69 C ATOM 0 H PHE A 98 5.579 7.867 -16.067 1.00 0.01 H new ATOM 0 HA PHE A 98 7.189 8.249 -18.574 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.062 10.003 -17.243 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.086 10.562 -18.551 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.377 8.230 -17.615 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.831 9.671 -20.832 1.00 0.58 H new ATOM 0 HE1 PHE A 98 1.852 7.165 -19.257 1.00 0.56 H new ATOM 0 HE2 PHE A 98 4.303 8.612 -22.473 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.314 7.357 -21.686 1.00 0.69 H new ATOM 1536 N GLU A 99 8.842 9.766 -17.508 1.00 0.01 N ATOM 1537 CA GLU A 99 9.966 10.444 -16.801 1.00 0.01 C ATOM 1538 C GLU A 99 9.552 11.833 -16.281 1.00 0.01 C ATOM 1539 O GLU A 99 10.065 12.291 -15.279 1.00 0.01 O ATOM 1540 CB GLU A 99 11.156 10.586 -17.766 1.00 0.01 C ATOM 1541 CG GLU A 99 12.463 10.756 -16.983 1.00 0.01 C ATOM 1542 CD GLU A 99 12.466 12.111 -16.276 1.00 0.01 C ATOM 1543 OE1 GLU A 99 12.481 13.117 -16.967 1.00 0.01 O ATOM 1544 OE2 GLU A 99 12.452 12.122 -15.056 1.00 0.02 O ATOM 0 H GLU A 99 8.992 9.619 -18.506 1.00 0.01 H new ATOM 0 HA GLU A 99 10.247 9.836 -15.941 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.220 9.706 -18.406 1.00 0.01 H new ATOM 0 HB3 GLU A 99 11.002 11.445 -18.419 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.568 9.954 -16.253 1.00 0.01 H new ATOM 0 HG3 GLU A 99 13.315 10.686 -17.659 1.00 0.01 H new ATOM 1551 N LYS A 100 8.635 12.509 -16.942 1.00 0.01 N ATOM 1552 CA LYS A 100 8.208 13.874 -16.467 1.00 0.01 C ATOM 1553 C LYS A 100 6.725 13.869 -16.078 1.00 0.01 C ATOM 1554 O LYS A 100 5.994 12.934 -16.347 1.00 0.01 O ATOM 1555 CB LYS A 100 8.443 14.911 -17.573 1.00 0.94 C ATOM 1556 CG LYS A 100 9.946 15.204 -17.700 1.00 1.63 C ATOM 1557 CD LYS A 100 10.172 16.438 -18.586 1.00 2.19 C ATOM 1558 CE LYS A 100 9.931 16.080 -20.056 1.00 2.84 C ATOM 1559 NZ LYS A 100 10.362 17.218 -20.916 1.00 3.18 N ATOM 0 H LYS A 100 8.165 12.178 -17.785 1.00 0.01 H new ATOM 0 HA LYS A 100 8.802 14.135 -15.591 1.00 0.01 H new ATOM 0 HB2 LYS A 100 8.054 14.540 -18.521 1.00 0.94 H new ATOM 0 HB3 LYS A 100 7.902 15.829 -17.344 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.376 15.372 -16.713 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.457 14.342 -18.128 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.499 17.241 -18.284 1.00 2.19 H new ATOM 0 HD3 LYS A 100 11.189 16.808 -18.455 1.00 2.19 H new ATOM 0 HE2 LYS A 100 10.486 15.180 -20.319 1.00 2.84 H new ATOM 0 HE3 LYS A 100 8.876 15.863 -20.221 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 10.200 16.979 -21.915 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 9.813 18.066 -20.670 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.374 17.404 -20.764 1.00 3.18 H new ATOM 1573 N GLY A 101 6.292 14.924 -15.440 1.00 0.01 N ATOM 1574 CA GLY A 101 4.871 15.027 -14.993 1.00 0.01 C ATOM 1575 C GLY A 101 3.925 15.127 -16.191 1.00 0.00 C ATOM 1576 O GLY A 101 4.323 15.403 -17.306 1.00 0.01 O ATOM 0 H GLY A 101 6.871 15.731 -15.206 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.611 14.156 -14.392 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.749 15.902 -14.355 1.00 0.01 H new ATOM 1580 N ASP A 102 2.659 14.918 -15.940 1.00 0.01 N ATOM 1581 CA ASP A 102 1.631 15.007 -17.015 1.00 0.00 C ATOM 1582 C ASP A 102 1.963 14.058 -18.165 1.00 0.00 C ATOM 1583 O ASP A 102 1.758 14.363 -19.323 1.00 0.01 O ATOM 1584 CB ASP A 102 1.562 16.443 -17.538 1.00 0.01 C ATOM 1585 CG ASP A 102 1.466 17.410 -16.357 1.00 0.01 C ATOM 1586 OD1 ASP A 102 1.524 16.947 -15.230 1.00 0.01 O ATOM 1587 OD2 ASP A 102 1.334 18.598 -16.600 1.00 0.01 O ATOM 0 H ASP A 102 2.289 14.685 -15.018 1.00 0.01 H new ATOM 0 HA ASP A 102 0.666 14.719 -16.597 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.446 16.667 -18.135 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.698 16.563 -18.191 1.00 0.01 H new ATOM 1592 N PHE A 103 2.445 12.891 -17.839 1.00 0.01 N ATOM 1593 CA PHE A 103 2.764 11.882 -18.885 1.00 0.01 C ATOM 1594 C PHE A 103 3.667 12.481 -19.966 1.00 0.00 C ATOM 1595 O PHE A 103 3.352 12.432 -21.139 1.00 0.01 O ATOM 1596 CB PHE A 103 1.456 11.393 -19.520 1.00 0.01 C ATOM 1597 CG PHE A 103 0.394 11.268 -18.452 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.444 10.210 -17.537 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.641 12.211 -18.376 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.538 10.094 -16.546 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.622 12.095 -17.385 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.571 11.037 -16.469 1.00 0.01 C ATOM 0 H PHE A 103 2.633 12.591 -16.882 1.00 0.01 H new ATOM 0 HA PHE A 103 3.293 11.049 -18.422 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.131 12.091 -20.292 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.613 10.430 -20.006 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.240 9.483 -17.596 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.681 13.027 -19.082 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -0.499 9.277 -15.841 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.419 12.822 -17.327 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.328 10.948 -15.704 1.00 0.01 H new ATOM 1612 N ASN A 104 4.798 13.025 -19.587 1.00 0.00 N ATOM 1613 CA ASN A 104 5.743 13.606 -20.597 1.00 0.01 C ATOM 1614 C ASN A 104 7.134 13.023 -20.351 1.00 0.01 C ATOM 1615 O ASN A 104 7.388 12.422 -19.326 1.00 0.01 O ATOM 1616 CB ASN A 104 5.796 15.129 -20.444 1.00 1.68 C ATOM 1617 CG ASN A 104 4.412 15.713 -20.727 1.00 2.31 C ATOM 1618 OD1 ASN A 104 3.692 15.218 -21.571 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.003 16.752 -20.050 1.00 2.38 N ATOM 0 H ASN A 104 5.110 13.093 -18.618 1.00 0.00 H new ATOM 0 HA ASN A 104 5.404 13.363 -21.604 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.116 15.394 -19.436 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.529 15.550 -21.132 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.080 17.147 -20.230 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.607 17.169 -19.341 1.00 2.38 H new ATOM 1626 N GLY A 105 8.043 13.179 -21.281 1.00 0.01 N ATOM 1627 CA GLY A 105 9.418 12.622 -21.091 1.00 0.01 C ATOM 1628 C GLY A 105 9.491 11.228 -21.709 1.00 0.01 C ATOM 1629 O GLY A 105 8.621 10.830 -22.459 1.00 0.01 O ATOM 0 H GLY A 105 7.893 13.668 -22.163 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.155 13.277 -21.556 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.659 12.574 -20.029 1.00 0.01 H new ATOM 1633 N GLN A 106 10.505 10.473 -21.394 1.00 0.01 N ATOM 1634 CA GLN A 106 10.605 9.101 -21.955 1.00 0.01 C ATOM 1635 C GLN A 106 9.594 8.215 -21.233 1.00 0.01 C ATOM 1636 O GLN A 106 9.321 8.392 -20.061 1.00 0.01 O ATOM 1637 CB GLN A 106 12.018 8.558 -21.733 1.00 0.01 C ATOM 1638 CG GLN A 106 12.093 7.113 -22.229 1.00 0.01 C ATOM 1639 CD GLN A 106 13.552 6.654 -22.252 1.00 0.01 C ATOM 1640 OE1 GLN A 106 14.347 7.077 -21.435 1.00 0.01 O ATOM 1641 NE2 GLN A 106 13.940 5.799 -23.159 1.00 0.01 N ATOM 0 H GLN A 106 11.267 10.747 -20.773 1.00 0.01 H new ATOM 0 HA GLN A 106 10.397 9.114 -23.025 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.743 9.174 -22.264 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.275 8.604 -20.675 1.00 0.01 H new ATOM 0 HG2 GLN A 106 11.507 6.464 -21.579 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.662 7.038 -23.227 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.273 5.444 -23.844 1.00 0.01 H new ATOM 0 HE22 GLN A 106 14.910 5.486 -23.182 1.00 0.01 H new ATOM 1650 N MET A 107 9.021 7.275 -21.940 1.00 0.01 N ATOM 1651 CA MET A 107 8.002 6.368 -21.327 1.00 0.01 C ATOM 1652 C MET A 107 8.496 4.922 -21.359 1.00 0.01 C ATOM 1653 O MET A 107 9.109 4.477 -22.308 1.00 0.01 O ATOM 1654 CB MET A 107 6.697 6.459 -22.122 1.00 0.00 C ATOM 1655 CG MET A 107 5.573 5.771 -21.344 1.00 0.01 C ATOM 1656 SD MET A 107 4.147 5.531 -22.434 1.00 0.01 S ATOM 1657 CE MET A 107 4.578 3.872 -23.016 1.00 0.01 C ATOM 0 H MET A 107 9.217 7.095 -22.925 1.00 0.01 H new ATOM 0 HA MET A 107 7.837 6.673 -20.294 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.442 7.503 -22.303 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.820 5.987 -23.097 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.917 4.811 -20.960 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.289 6.376 -20.483 1.00 0.01 H new ATOM 0 HE1 MET A 107 3.817 3.522 -23.714 1.00 0.01 H new ATOM 0 HE2 MET A 107 5.545 3.902 -23.518 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.632 3.191 -22.167 1.00 0.01 H new ATOM 1667 N TYR A 108 8.200 4.181 -20.323 1.00 0.01 N ATOM 1668 CA TYR A 108 8.598 2.743 -20.249 1.00 0.00 C ATOM 1669 C TYR A 108 7.363 1.931 -19.843 1.00 0.01 C ATOM 1670 O TYR A 108 6.614 2.313 -18.963 1.00 0.01 O ATOM 1671 CB TYR A 108 9.695 2.562 -19.197 1.00 0.54 C ATOM 1672 CG TYR A 108 11.008 3.074 -19.743 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.770 2.271 -20.600 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.463 4.350 -19.390 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.988 2.744 -21.104 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.680 4.822 -19.894 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.443 4.020 -20.752 1.00 1.82 C ATOM 1678 OH TYR A 108 14.644 4.485 -21.248 1.00 2.48 O ATOM 0 H TYR A 108 7.688 4.519 -19.508 1.00 0.01 H new ATOM 0 HA TYR A 108 8.978 2.407 -21.214 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.433 3.101 -18.287 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.786 1.509 -18.929 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.419 1.287 -20.872 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.875 4.970 -18.729 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.576 2.124 -21.764 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.031 5.806 -19.621 1.00 1.51 H new ATOM 0 HH TYR A 108 14.803 5.394 -20.920 1.00 2.48 H new ATOM 1688 N GLU A 109 7.136 0.824 -20.505 1.00 0.01 N ATOM 1689 CA GLU A 109 5.936 -0.029 -20.214 1.00 0.01 C ATOM 1690 C GLU A 109 6.381 -1.423 -19.777 1.00 0.01 C ATOM 1691 O GLU A 109 7.266 -2.013 -20.364 1.00 0.01 O ATOM 1692 CB GLU A 109 5.096 -0.122 -21.493 1.00 0.01 C ATOM 1693 CG GLU A 109 3.831 -0.951 -21.233 1.00 0.01 C ATOM 1694 CD GLU A 109 4.167 -2.445 -21.274 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.386 -2.952 -22.362 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.201 -3.054 -20.218 1.00 0.00 O ATOM 0 H GLU A 109 7.739 0.468 -21.246 1.00 0.01 H new ATOM 0 HA GLU A 109 5.347 0.410 -19.409 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.822 0.877 -21.831 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.682 -0.579 -22.290 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.409 -0.691 -20.262 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.074 -0.719 -21.982 1.00 0.01 H new ATOM 1703 N THR A 110 5.777 -1.959 -18.742 1.00 0.01 N ATOM 1704 CA THR A 110 6.180 -3.317 -18.274 1.00 0.00 C ATOM 1705 C THR A 110 4.998 -4.052 -17.632 1.00 0.01 C ATOM 1706 O THR A 110 4.072 -3.461 -17.104 1.00 0.01 O ATOM 1707 CB THR A 110 7.312 -3.193 -17.251 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.537 -4.455 -16.642 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.928 -2.170 -16.182 1.00 1.69 C ATOM 0 H THR A 110 5.029 -1.517 -18.208 1.00 0.01 H new ATOM 0 HA THR A 110 6.517 -3.889 -19.138 1.00 0.00 H new ATOM 0 HB THR A 110 8.221 -2.864 -17.754 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.263 -4.378 -15.988 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.735 -2.083 -15.455 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.756 -1.201 -16.651 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.018 -2.495 -15.677 1.00 1.69 H new ATOM 1717 N THR A 111 5.037 -5.355 -17.704 1.00 0.00 N ATOM 1718 CA THR A 111 3.949 -6.209 -17.132 1.00 0.01 C ATOM 1719 C THR A 111 4.471 -6.961 -15.903 1.00 0.01 C ATOM 1720 O THR A 111 3.822 -7.861 -15.404 1.00 0.01 O ATOM 1721 CB THR A 111 3.498 -7.217 -18.191 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.603 -8.022 -18.577 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.956 -6.471 -19.413 1.00 0.01 C ATOM 0 H THR A 111 5.794 -5.878 -18.145 1.00 0.00 H new ATOM 0 HA THR A 111 3.109 -5.580 -16.836 1.00 0.01 H new ATOM 0 HB THR A 111 2.713 -7.850 -17.778 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.315 -8.669 -19.254 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.635 -7.191 -20.166 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.108 -5.854 -19.116 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.739 -5.836 -19.828 1.00 0.01 H new ATOM 1731 N GLU A 112 5.650 -6.626 -15.430 1.00 0.01 N ATOM 1732 CA GLU A 112 6.237 -7.351 -14.249 1.00 0.01 C ATOM 1733 C GLU A 112 6.523 -6.390 -13.088 1.00 0.01 C ATOM 1734 O GLU A 112 6.598 -5.189 -13.258 1.00 0.01 O ATOM 1735 CB GLU A 112 7.550 -8.010 -14.678 1.00 0.85 C ATOM 1736 CG GLU A 112 7.257 -9.139 -15.667 1.00 1.61 C ATOM 1737 CD GLU A 112 6.565 -10.292 -14.938 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.791 -10.434 -13.747 1.00 3.07 O ATOM 1739 OE2 GLU A 112 5.819 -11.011 -15.581 1.00 3.21 O ATOM 0 H GLU A 112 6.234 -5.881 -15.810 1.00 0.01 H new ATOM 0 HA GLU A 112 5.517 -8.096 -13.910 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.206 -7.271 -15.138 1.00 0.85 H new ATOM 0 HB3 GLU A 112 8.073 -8.403 -13.806 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.623 -8.773 -16.475 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.184 -9.487 -16.122 1.00 1.61 H new ATOM 1746 N ASP A 113 6.711 -6.931 -11.912 1.00 0.01 N ATOM 1747 CA ASP A 113 7.027 -6.086 -10.723 1.00 0.01 C ATOM 1748 C ASP A 113 8.407 -5.458 -10.936 1.00 0.00 C ATOM 1749 O ASP A 113 9.238 -5.995 -11.641 1.00 0.01 O ATOM 1750 CB ASP A 113 7.060 -6.970 -9.472 1.00 0.01 C ATOM 1751 CG ASP A 113 7.732 -8.303 -9.805 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.743 -8.280 -10.488 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.225 -9.325 -9.372 1.00 0.00 O ATOM 0 H ASP A 113 6.658 -7.932 -11.724 1.00 0.01 H new ATOM 0 HA ASP A 113 6.273 -5.309 -10.597 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.604 -6.467 -8.673 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.047 -7.142 -9.109 1.00 0.01 H new ATOM 1758 N CYS A 114 8.668 -4.337 -10.301 1.00 0.01 N ATOM 1759 CA CYS A 114 10.008 -3.677 -10.428 1.00 0.01 C ATOM 1760 C CYS A 114 10.602 -3.482 -9.013 1.00 0.01 C ATOM 1761 O CYS A 114 10.091 -2.675 -8.256 1.00 0.01 O ATOM 1762 CB CYS A 114 9.820 -2.304 -11.072 1.00 0.01 C ATOM 1763 SG CYS A 114 11.388 -1.399 -11.031 1.00 0.01 S ATOM 0 H CYS A 114 8.006 -3.849 -9.697 1.00 0.01 H new ATOM 0 HA CYS A 114 10.673 -4.291 -11.035 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.480 -2.417 -12.101 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.050 -1.744 -10.541 1.00 0.01 H new ATOM 0 HG CYS A 114 11.964 -1.477 -12.194 1.00 0.01 H new ATOM 1769 N PRO A 115 11.668 -4.178 -8.636 1.00 0.01 N ATOM 1770 CA PRO A 115 12.259 -3.982 -7.279 1.00 0.01 C ATOM 1771 C PRO A 115 13.085 -2.691 -7.200 1.00 0.01 C ATOM 1772 O PRO A 115 13.156 -2.059 -6.165 1.00 0.01 O ATOM 1773 CB PRO A 115 13.147 -5.228 -7.128 1.00 0.01 C ATOM 1774 CG PRO A 115 13.399 -5.797 -8.537 1.00 0.01 C ATOM 1775 CD PRO A 115 12.347 -5.197 -9.494 1.00 0.01 C ATOM 0 HA PRO A 115 11.512 -3.878 -6.492 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.090 -4.970 -6.646 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.659 -5.971 -6.497 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.405 -5.547 -8.873 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.327 -6.885 -8.526 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.809 -4.745 -10.372 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.649 -5.953 -9.855 1.00 0.01 H new ATOM 1783 N SER A 116 13.714 -2.302 -8.278 1.00 0.01 N ATOM 1784 CA SER A 116 14.541 -1.058 -8.264 1.00 0.02 C ATOM 1785 C SER A 116 14.345 -0.320 -9.587 1.00 0.01 C ATOM 1786 O SER A 116 14.800 -0.748 -10.630 1.00 0.00 O ATOM 1787 CB SER A 116 16.013 -1.430 -8.091 1.00 0.01 C ATOM 1788 OG SER A 116 16.216 -1.952 -6.785 1.00 0.01 O ATOM 0 H SER A 116 13.691 -2.794 -9.171 1.00 0.01 H new ATOM 0 HA SER A 116 14.236 -0.415 -7.438 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.304 -2.168 -8.839 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.642 -0.553 -8.246 1.00 0.01 H new ATOM 0 HG SER A 116 17.159 -2.193 -6.672 1.00 0.01 H new ATOM 1794 N ILE A 117 13.640 0.775 -9.544 1.00 0.01 N ATOM 1795 CA ILE A 117 13.368 1.549 -10.786 1.00 0.01 C ATOM 1796 C ILE A 117 14.676 2.076 -11.383 1.00 0.01 C ATOM 1797 O ILE A 117 14.833 2.114 -12.586 1.00 0.00 O ATOM 1798 CB ILE A 117 12.418 2.720 -10.449 1.00 0.57 C ATOM 1799 CG1 ILE A 117 10.964 2.230 -10.503 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.587 3.876 -11.447 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.029 3.276 -9.886 1.00 1.83 C ATOM 0 H ILE A 117 13.237 1.170 -8.694 1.00 0.01 H new ATOM 0 HA ILE A 117 12.898 0.900 -11.525 1.00 0.01 H new ATOM 0 HB ILE A 117 12.664 3.079 -9.450 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.675 2.038 -11.536 1.00 1.44 H new ATOM 0 HG13 ILE A 117 10.871 1.286 -9.966 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.906 4.686 -11.185 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.614 4.240 -11.412 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.361 3.524 -12.453 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.001 2.916 -9.930 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.309 3.446 -8.846 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.111 4.210 -10.442 1.00 1.83 H new ATOM 1813 N MET A 118 15.596 2.513 -10.567 1.00 0.02 N ATOM 1814 CA MET A 118 16.856 3.064 -11.130 1.00 0.01 C ATOM 1815 C MET A 118 17.638 1.958 -11.830 1.00 0.01 C ATOM 1816 O MET A 118 18.236 2.175 -12.859 1.00 0.02 O ATOM 1817 CB MET A 118 17.709 3.690 -10.024 1.00 0.24 C ATOM 1818 CG MET A 118 18.830 4.521 -10.651 1.00 0.63 C ATOM 1819 SD MET A 118 18.143 6.060 -11.312 1.00 1.20 S ATOM 1820 CE MET A 118 19.684 7.011 -11.323 1.00 1.34 C ATOM 0 H MET A 118 15.530 2.512 -9.549 1.00 0.02 H new ATOM 0 HA MET A 118 16.605 3.839 -11.854 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.090 4.319 -9.385 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.131 2.910 -9.390 1.00 0.24 H new ATOM 0 HG2 MET A 118 19.594 4.742 -9.906 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.315 3.955 -11.447 1.00 0.63 H new ATOM 0 HE1 MET A 118 19.490 8.014 -11.703 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.078 7.077 -10.309 1.00 1.34 H new ATOM 0 HE3 MET A 118 20.413 6.515 -11.964 1.00 1.34 H new ATOM 1830 N GLU A 119 17.645 0.772 -11.305 1.00 0.01 N ATOM 1831 CA GLU A 119 18.401 -0.312 -11.981 1.00 0.02 C ATOM 1832 C GLU A 119 17.684 -0.706 -13.275 1.00 0.02 C ATOM 1833 O GLU A 119 18.305 -1.023 -14.270 1.00 0.01 O ATOM 1834 CB GLU A 119 18.481 -1.526 -11.054 1.00 0.30 C ATOM 1835 CG GLU A 119 19.467 -2.547 -11.625 1.00 0.99 C ATOM 1836 CD GLU A 119 19.318 -3.874 -10.879 1.00 1.69 C ATOM 1837 OE1 GLU A 119 18.595 -3.900 -9.896 1.00 2.11 O ATOM 1838 OE2 GLU A 119 19.931 -4.840 -11.302 1.00 2.07 O ATOM 0 H GLU A 119 17.165 0.506 -10.445 1.00 0.01 H new ATOM 0 HA GLU A 119 19.407 0.037 -12.216 1.00 0.02 H new ATOM 0 HB2 GLU A 119 18.800 -1.215 -10.059 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.495 -1.979 -10.946 1.00 0.30 H new ATOM 0 HG2 GLU A 119 19.280 -2.693 -12.689 1.00 0.99 H new ATOM 0 HG3 GLU A 119 20.487 -2.176 -11.528 1.00 0.99 H new ATOM 1845 N GLN A 120 16.378 -0.749 -13.250 1.00 0.00 N ATOM 1846 CA GLN A 120 15.614 -1.189 -14.454 1.00 0.01 C ATOM 1847 C GLN A 120 15.462 -0.071 -15.492 1.00 0.01 C ATOM 1848 O GLN A 120 15.635 -0.292 -16.674 1.00 0.01 O ATOM 1849 CB GLN A 120 14.222 -1.645 -14.011 1.00 0.52 C ATOM 1850 CG GLN A 120 13.539 -2.405 -15.148 1.00 1.07 C ATOM 1851 CD GLN A 120 12.057 -2.588 -14.817 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.601 -2.168 -13.772 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.282 -3.205 -15.666 1.00 2.08 N ATOM 0 H GLN A 120 15.806 -0.497 -12.444 1.00 0.00 H new ATOM 0 HA GLN A 120 16.170 -2.001 -14.923 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.301 -2.283 -13.131 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.620 -0.782 -13.725 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.649 -1.858 -16.084 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.014 -3.376 -15.289 1.00 1.07 H new ATOM 0 HE21 GLN A 120 11.665 -3.557 -16.543 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.293 -3.335 -15.453 1.00 2.08 H new ATOM 1862 N PHE A 121 15.064 1.105 -15.068 1.00 0.02 N ATOM 1863 CA PHE A 121 14.807 2.222 -16.039 1.00 0.01 C ATOM 1864 C PHE A 121 15.832 3.352 -15.921 1.00 0.01 C ATOM 1865 O PHE A 121 15.778 4.316 -16.658 1.00 0.01 O ATOM 1866 CB PHE A 121 13.408 2.781 -15.769 1.00 0.01 C ATOM 1867 CG PHE A 121 12.394 1.665 -15.876 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.116 1.095 -17.123 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.733 1.200 -14.731 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.178 0.061 -17.227 1.00 0.01 C ATOM 1871 CE2 PHE A 121 10.795 0.166 -14.836 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.518 -0.404 -16.084 1.00 0.01 C ATOM 0 H PHE A 121 14.905 1.342 -14.089 1.00 0.02 H new ATOM 0 HA PHE A 121 14.889 1.818 -17.048 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.369 3.230 -14.776 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.175 3.569 -16.485 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.625 1.453 -18.006 1.00 0.01 H new ATOM 0 HD2 PHE A 121 11.947 1.639 -13.768 1.00 0.01 H new ATOM 0 HE1 PHE A 121 10.964 -0.378 -18.190 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.285 -0.192 -13.954 1.00 0.01 H new ATOM 0 HZ PHE A 121 9.795 -1.202 -16.165 1.00 0.01 H new ATOM 1882 N HIS A 122 16.761 3.260 -15.011 1.00 0.01 N ATOM 1883 CA HIS A 122 17.769 4.349 -14.866 1.00 0.01 C ATOM 1884 C HIS A 122 17.061 5.661 -14.510 1.00 0.01 C ATOM 1885 O HIS A 122 17.478 6.729 -14.914 1.00 0.02 O ATOM 1886 CB HIS A 122 18.548 4.497 -16.177 1.00 0.01 C ATOM 1887 CG HIS A 122 18.810 3.133 -16.753 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.968 2.012 -15.952 1.00 0.01 N ATOM 1889 CD2 HIS A 122 18.950 2.693 -18.045 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.190 0.962 -16.763 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.190 1.321 -18.051 1.00 0.01 N ATOM 0 H HIS A 122 16.867 2.480 -14.362 1.00 0.01 H new ATOM 0 HA HIS A 122 18.468 4.102 -14.066 1.00 0.01 H new ATOM 0 HB2 HIS A 122 17.980 5.101 -16.885 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.489 5.016 -15.998 1.00 0.01 H new ATOM 0 HD1 HIS A 122 18.924 1.988 -14.933 1.00 0.01 H new ATOM 0 HD2 HIS A 122 18.884 3.316 -18.924 1.00 0.01 H new ATOM 0 HE1 HIS A 122 19.349 -0.048 -16.416 1.00 0.00 H new ATOM 1899 N LEU A 123 15.990 5.584 -13.748 1.00 0.01 N ATOM 1900 CA LEU A 123 15.237 6.824 -13.347 1.00 0.01 C ATOM 1901 C LEU A 123 15.351 7.022 -11.832 1.00 0.02 C ATOM 1902 O LEU A 123 15.236 6.088 -11.064 1.00 0.01 O ATOM 1903 CB LEU A 123 13.763 6.675 -13.730 1.00 0.01 C ATOM 1904 CG LEU A 123 13.648 6.290 -15.206 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.169 6.183 -15.586 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.331 7.352 -16.082 1.00 0.01 C ATOM 0 H LEU A 123 15.603 4.713 -13.385 1.00 0.01 H new ATOM 0 HA LEU A 123 15.660 7.687 -13.861 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.291 5.914 -13.108 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.234 7.610 -13.546 1.00 0.01 H new ATOM 0 HG LEU A 123 14.139 5.330 -15.367 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.082 5.909 -16.637 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.690 5.421 -14.972 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.680 7.143 -15.420 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.244 7.069 -17.131 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.850 8.317 -15.925 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.385 7.424 -15.812 1.00 0.01 H new ATOM 1918 N ARG A 124 15.594 8.233 -11.399 1.00 0.01 N ATOM 1919 CA ARG A 124 15.735 8.494 -9.933 1.00 0.00 C ATOM 1920 C ARG A 124 14.378 8.845 -9.311 1.00 0.01 C ATOM 1921 O ARG A 124 14.188 8.724 -8.116 1.00 0.01 O ATOM 1922 CB ARG A 124 16.697 9.665 -9.719 1.00 1.67 C ATOM 1923 CG ARG A 124 16.271 10.841 -10.600 1.00 1.98 C ATOM 1924 CD ARG A 124 17.108 12.074 -10.256 1.00 2.92 C ATOM 1925 NE ARG A 124 18.494 11.896 -10.773 1.00 3.54 N ATOM 1926 CZ ARG A 124 19.292 12.924 -10.871 1.00 4.57 C ATOM 1927 NH1 ARG A 124 18.875 14.110 -10.521 1.00 5.25 N ATOM 1928 NH2 ARG A 124 20.506 12.767 -11.320 1.00 5.32 N ATOM 0 H ARG A 124 15.701 9.053 -11.997 1.00 0.01 H new ATOM 0 HA ARG A 124 16.120 7.593 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.697 9.963 -8.671 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.715 9.363 -9.964 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.399 10.585 -11.652 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.213 11.055 -10.451 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.658 12.965 -10.693 1.00 2.92 H new ATOM 0 HD3 ARG A 124 17.128 12.223 -9.176 1.00 2.92 H new ATOM 0 HE ARG A 124 18.819 10.970 -11.051 1.00 3.54 H new ATOM 0 HH11 ARG A 124 17.925 14.234 -10.171 1.00 5.25 H new ATOM 0 HH12 ARG A 124 19.499 14.913 -10.598 1.00 5.25 H new ATOM 0 HH21 ARG A 124 20.832 11.840 -11.595 1.00 5.32 H new ATOM 0 HH22 ARG A 124 21.129 13.571 -11.396 1.00 5.32 H new ATOM 1942 N GLU A 125 13.437 9.297 -10.100 1.00 0.01 N ATOM 1943 CA GLU A 125 12.103 9.676 -9.538 1.00 0.01 C ATOM 1944 C GLU A 125 11.007 9.425 -10.579 1.00 0.01 C ATOM 1945 O GLU A 125 11.277 9.284 -11.755 1.00 0.01 O ATOM 1946 CB GLU A 125 12.109 11.165 -9.184 1.00 0.01 C ATOM 1947 CG GLU A 125 13.083 11.416 -8.028 1.00 0.01 C ATOM 1948 CD GLU A 125 12.817 12.800 -7.431 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.988 13.774 -8.145 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.447 12.860 -6.270 1.00 0.02 O ATOM 0 H GLU A 125 13.533 9.420 -11.108 1.00 0.01 H new ATOM 0 HA GLU A 125 11.909 9.076 -8.649 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.401 11.754 -10.053 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.106 11.486 -8.904 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.963 10.649 -7.263 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.111 11.353 -8.384 1.00 0.01 H new ATOM 1957 N ILE A 126 9.766 9.402 -10.153 1.00 0.01 N ATOM 1958 CA ILE A 126 8.624 9.197 -11.105 1.00 0.01 C ATOM 1959 C ILE A 126 7.603 10.305 -10.842 1.00 0.01 C ATOM 1960 O ILE A 126 7.209 10.524 -9.714 1.00 0.01 O ATOM 1961 CB ILE A 126 7.958 7.841 -10.838 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.019 6.721 -10.803 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.916 7.549 -11.930 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.763 6.593 -12.148 1.00 1.70 C ATOM 0 H ILE A 126 9.492 9.517 -9.177 1.00 0.01 H new ATOM 0 HA ILE A 126 8.982 9.221 -12.134 1.00 0.01 H new ATOM 0 HB ILE A 126 7.459 7.877 -9.870 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.737 6.925 -10.009 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.538 5.773 -10.562 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.446 6.585 -11.736 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.156 8.331 -11.926 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.406 7.524 -12.903 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.501 5.794 -12.081 1.00 1.70 H new ATOM 0 HD12 ILE A 126 9.049 6.362 -12.938 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.266 7.533 -12.377 1.00 1.70 H new ATOM 1976 N HIS A 127 7.205 11.039 -11.859 1.00 0.01 N ATOM 1977 CA HIS A 127 6.243 12.174 -11.638 1.00 0.01 C ATOM 1978 C HIS A 127 4.857 11.894 -12.222 1.00 0.01 C ATOM 1979 O HIS A 127 3.903 12.579 -11.914 1.00 0.01 O ATOM 1980 CB HIS A 127 6.808 13.448 -12.268 1.00 0.02 C ATOM 1981 CG HIS A 127 8.234 13.631 -11.827 1.00 0.01 C ATOM 1982 ND1 HIS A 127 8.593 14.534 -10.838 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.402 13.031 -12.228 1.00 0.01 C ATOM 1984 CE1 HIS A 127 9.926 14.452 -10.680 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.469 13.551 -11.502 1.00 0.02 N ATOM 0 H HIS A 127 7.501 10.904 -12.826 1.00 0.01 H new ATOM 0 HA HIS A 127 6.125 12.294 -10.561 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.757 13.383 -13.355 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.210 14.310 -11.972 1.00 0.02 H new ATOM 0 HD2 HIS A 127 9.481 12.271 -12.991 1.00 0.01 H new ATOM 0 HE1 HIS A 127 10.489 15.044 -9.973 1.00 0.01 H new ATOM 0 HE2 HIS A 127 11.454 13.298 -11.581 1.00 0.02 H new ATOM 1993 N SER A 128 4.717 10.885 -13.039 1.00 0.01 N ATOM 1994 CA SER A 128 3.374 10.564 -13.603 1.00 0.01 C ATOM 1995 C SER A 128 3.376 9.118 -14.102 1.00 0.01 C ATOM 1996 O SER A 128 4.408 8.581 -14.460 1.00 0.01 O ATOM 1997 CB SER A 128 3.070 11.507 -14.768 1.00 0.01 C ATOM 1998 OG SER A 128 2.010 10.966 -15.544 1.00 0.01 O ATOM 0 H SER A 128 5.473 10.270 -13.340 1.00 0.01 H new ATOM 0 HA SER A 128 2.612 10.687 -12.833 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.795 12.492 -14.391 1.00 0.01 H new ATOM 0 HB3 SER A 128 3.958 11.639 -15.386 1.00 0.01 H new ATOM 0 HG SER A 128 2.343 10.733 -16.436 1.00 0.01 H new ATOM 2004 N CYS A 129 2.236 8.483 -14.126 1.00 0.01 N ATOM 2005 CA CYS A 129 2.179 7.070 -14.592 1.00 0.01 C ATOM 2006 C CYS A 129 0.719 6.672 -14.828 1.00 0.00 C ATOM 2007 O CYS A 129 -0.178 7.123 -14.135 1.00 0.01 O ATOM 2008 CB CYS A 129 2.798 6.152 -13.534 1.00 0.69 C ATOM 2009 SG CYS A 129 1.802 6.210 -12.023 1.00 1.22 S ATOM 0 H CYS A 129 1.341 8.883 -13.843 1.00 0.01 H new ATOM 0 HA CYS A 129 2.738 6.972 -15.522 1.00 0.01 H new ATOM 0 HB2 CYS A 129 2.849 5.130 -13.909 1.00 0.69 H new ATOM 0 HB3 CYS A 129 3.820 6.464 -13.320 1.00 0.69 H new ATOM 0 HG CYS A 129 0.606 6.632 -12.308 1.00 1.22 H new ATOM 2015 N LYS A 130 0.467 5.827 -15.804 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.941 5.395 -16.087 1.00 0.01 C ATOM 2017 C LYS A 130 -1.019 3.865 -16.058 1.00 0.01 C ATOM 2018 O LYS A 130 -0.576 3.173 -16.952 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.373 5.916 -17.468 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.905 5.964 -17.549 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.356 6.194 -19.006 1.00 0.29 C ATOM 2022 CE LYS A 130 -3.480 4.854 -19.745 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.378 5.085 -21.213 1.00 1.41 N ATOM 0 H LYS A 130 1.175 5.419 -16.415 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.608 5.804 -15.328 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -0.959 6.910 -17.638 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.978 5.269 -18.251 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.325 5.031 -17.174 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.285 6.763 -16.913 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -4.314 6.714 -19.019 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -2.638 6.835 -19.519 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -2.695 4.172 -19.418 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -4.433 4.381 -19.506 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -4.085 4.503 -21.706 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.552 6.089 -21.419 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -2.426 4.824 -21.540 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.601 3.350 -15.018 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.773 1.878 -14.846 1.00 0.01 C ATOM 2039 C VAL A 131 -3.262 1.578 -14.966 1.00 0.01 C ATOM 2040 O VAL A 131 -4.070 2.260 -14.369 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.271 1.466 -13.463 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.108 2.160 -12.386 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.396 -0.050 -13.308 1.00 0.01 C ATOM 0 H VAL A 131 -1.979 3.905 -14.251 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.208 1.328 -15.599 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.227 1.759 -13.354 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.749 1.865 -11.400 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.019 3.241 -12.496 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.153 1.869 -12.494 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.038 -0.346 -12.322 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.440 -0.342 -13.418 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.799 -0.545 -14.074 1.00 0.01 H new ATOM 2053 N VAL A 132 -3.653 0.541 -15.678 1.00 0.01 N ATOM 2054 CA VAL A 132 -5.089 0.188 -15.760 1.00 0.01 C ATOM 2055 C VAL A 132 -5.199 -1.293 -15.429 1.00 0.00 C ATOM 2056 O VAL A 132 -5.129 -2.162 -16.277 1.00 0.01 O ATOM 2057 CB VAL A 132 -5.601 0.440 -17.180 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -7.062 0.001 -17.280 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -5.496 1.932 -17.503 1.00 1.98 C ATOM 0 H VAL A 132 -3.028 -0.070 -16.203 1.00 0.01 H new ATOM 0 HA VAL A 132 -5.682 0.789 -15.070 1.00 0.01 H new ATOM 0 HB VAL A 132 -5.000 -0.129 -17.889 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -7.427 0.180 -18.291 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -7.139 -1.061 -17.049 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -7.662 0.571 -16.571 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -5.861 2.112 -18.514 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -6.097 2.501 -16.794 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -4.455 2.247 -17.431 1.00 1.98 H new ATOM 2069 N GLU A 133 -5.416 -1.551 -14.192 1.00 0.01 N ATOM 2070 CA GLU A 133 -5.599 -2.937 -13.682 1.00 0.01 C ATOM 2071 C GLU A 133 -6.587 -2.817 -12.532 1.00 0.01 C ATOM 2072 O GLU A 133 -7.720 -3.246 -12.617 1.00 0.01 O ATOM 2073 CB GLU A 133 -4.258 -3.492 -13.184 1.00 0.00 C ATOM 2074 CG GLU A 133 -4.478 -4.814 -12.429 1.00 0.00 C ATOM 2075 CD GLU A 133 -4.875 -4.530 -10.977 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -4.271 -3.654 -10.379 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -5.776 -5.193 -10.488 1.00 0.00 O ATOM 0 H GLU A 133 -5.479 -0.833 -13.471 1.00 0.01 H new ATOM 0 HA GLU A 133 -5.962 -3.615 -14.454 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -3.587 -3.654 -14.028 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -3.777 -2.766 -12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.257 -5.397 -12.920 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -3.568 -5.413 -12.455 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.155 -2.238 -11.452 1.00 0.01 N ATOM 2085 CA GLY A 134 -7.045 -2.081 -10.277 1.00 0.01 C ATOM 2086 C GLY A 134 -6.232 -1.484 -9.133 1.00 0.01 C ATOM 2087 O GLY A 134 -6.314 -0.304 -8.858 1.00 0.01 O ATOM 0 H GLY A 134 -5.214 -1.863 -11.333 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -7.886 -1.433 -10.523 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -7.460 -3.045 -9.984 1.00 0.01 H new ATOM 2091 N THR A 135 -5.450 -2.296 -8.459 1.00 0.01 N ATOM 2092 CA THR A 135 -4.622 -1.788 -7.318 1.00 0.01 C ATOM 2093 C THR A 135 -3.130 -2.101 -7.533 1.00 0.01 C ATOM 2094 O THR A 135 -2.727 -3.228 -7.770 1.00 0.01 O ATOM 2095 CB THR A 135 -5.123 -2.430 -6.028 1.00 1.43 C ATOM 2096 OG1 THR A 135 -4.916 -3.833 -6.084 1.00 1.92 O ATOM 2097 CG2 THR A 135 -6.616 -2.135 -5.882 1.00 2.30 C ATOM 0 H THR A 135 -5.350 -3.293 -8.651 1.00 0.01 H new ATOM 0 HA THR A 135 -4.721 -0.704 -7.256 1.00 0.01 H new ATOM 0 HB THR A 135 -4.580 -2.025 -5.174 1.00 1.43 H new ATOM 0 HG1 THR A 135 -5.237 -4.244 -5.254 1.00 1.92 H new ATOM 0 HG21 THR A 135 -6.988 -2.588 -4.963 1.00 2.30 H new ATOM 0 HG22 THR A 135 -6.772 -1.057 -5.844 1.00 2.30 H new ATOM 0 HG23 THR A 135 -7.154 -2.549 -6.735 1.00 2.30 H new ATOM 2105 N TRP A 136 -2.312 -1.084 -7.430 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.829 -1.235 -7.589 1.00 0.01 C ATOM 2107 C TRP A 136 -0.185 -0.594 -6.358 1.00 0.01 C ATOM 2108 O TRP A 136 -0.740 0.326 -5.792 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.360 -0.518 -8.869 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.501 -1.434 -10.047 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.670 -1.945 -10.497 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.540 -1.955 -10.925 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.414 -2.744 -11.596 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.066 -2.783 -11.899 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.937 -1.791 -10.971 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.686 -3.425 -12.882 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.697 -2.437 -11.960 1.00 0.01 C ATOM 2118 CH2 TRP A 136 2.072 -3.251 -12.914 1.00 0.01 C ATOM 0 H TRP A 136 -2.617 -0.130 -7.237 1.00 0.01 H new ATOM 0 HA TRP A 136 -0.548 -2.285 -7.674 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -0.949 0.385 -9.027 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.679 -0.206 -8.762 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.644 -1.759 -10.068 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.133 -3.244 -12.120 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.428 -1.164 -10.241 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.200 -4.053 -13.614 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.769 -2.306 -11.985 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.661 -3.744 -13.673 1.00 0.01 H new ATOM 2129 N ILE A 137 0.975 -1.039 -5.927 1.00 0.01 N ATOM 2130 CA ILE A 137 1.621 -0.412 -4.728 1.00 0.00 C ATOM 2131 C ILE A 137 2.959 0.198 -5.138 1.00 0.01 C ATOM 2132 O ILE A 137 3.751 -0.419 -5.816 1.00 0.01 O ATOM 2133 CB ILE A 137 1.894 -1.480 -3.662 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.631 -2.300 -3.384 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.349 -0.799 -2.370 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.019 -3.577 -2.630 1.00 1.69 C ATOM 0 H ILE A 137 1.499 -1.805 -6.351 1.00 0.01 H new ATOM 0 HA ILE A 137 0.954 0.352 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 137 2.673 -2.149 -4.027 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.075 -1.715 -2.795 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.133 -2.552 -4.320 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.544 -1.555 -1.609 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.260 -0.231 -2.559 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.568 -0.125 -2.019 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.125 -4.166 -2.428 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.710 -4.162 -3.237 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.499 -3.312 -1.688 1.00 1.69 H new ATOM 2148 N PHE A 138 3.213 1.401 -4.701 1.00 0.01 N ATOM 2149 CA PHE A 138 4.503 2.093 -5.012 1.00 0.01 C ATOM 2150 C PHE A 138 5.269 2.194 -3.687 1.00 0.01 C ATOM 2151 O PHE A 138 4.674 2.430 -2.657 1.00 0.00 O ATOM 2152 CB PHE A 138 4.206 3.505 -5.563 1.00 1.11 C ATOM 2153 CG PHE A 138 4.112 3.514 -7.083 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.679 2.385 -7.800 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.459 4.680 -7.777 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.600 2.429 -9.197 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.380 4.721 -9.173 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.951 3.596 -9.883 1.00 2.49 C ATOM 0 H PHE A 138 2.569 1.947 -4.129 1.00 0.01 H new ATOM 0 HA PHE A 138 5.083 1.552 -5.759 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.271 3.870 -5.139 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.990 4.191 -5.244 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.407 1.483 -7.273 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.789 5.552 -7.232 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.267 1.560 -9.746 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.651 5.622 -9.703 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.891 3.628 -10.961 1.00 2.49 H new ATOM 2168 N TYR A 139 6.573 2.022 -3.697 1.00 0.01 N ATOM 2169 CA TYR A 139 7.367 2.113 -2.425 1.00 0.01 C ATOM 2170 C TYR A 139 8.454 3.177 -2.573 1.00 0.01 C ATOM 2171 O TYR A 139 9.010 3.374 -3.640 1.00 0.01 O ATOM 2172 CB TYR A 139 8.015 0.762 -2.120 1.00 0.01 C ATOM 2173 CG TYR A 139 6.966 -0.326 -2.165 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.441 -0.740 -3.394 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.519 -0.919 -0.978 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.469 -1.747 -3.437 1.00 0.01 C ATOM 2177 CE2 TYR A 139 5.547 -1.927 -1.022 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.022 -2.340 -2.252 1.00 0.02 C ATOM 2179 OH TYR A 139 4.064 -3.333 -2.295 1.00 0.00 O ATOM 0 H TYR A 139 7.123 1.822 -4.533 1.00 0.01 H new ATOM 0 HA TYR A 139 6.700 2.386 -1.607 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.802 0.553 -2.845 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.486 0.787 -1.137 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.786 -0.283 -4.310 1.00 0.01 H new ATOM 0 HD2 TYR A 139 6.923 -0.599 -0.029 1.00 0.01 H new ATOM 0 HE1 TYR A 139 5.064 -2.066 -4.386 1.00 0.01 H new ATOM 0 HE2 TYR A 139 5.203 -2.385 -0.107 1.00 0.02 H new ATOM 0 HH TYR A 139 3.605 -3.383 -1.430 1.00 0.00 H new ATOM 2189 N GLU A 140 8.722 3.897 -1.514 1.00 0.01 N ATOM 2190 CA GLU A 140 9.716 5.007 -1.570 1.00 0.02 C ATOM 2191 C GLU A 140 11.154 4.477 -1.629 1.00 0.01 C ATOM 2192 O GLU A 140 12.013 5.119 -2.202 1.00 0.01 O ATOM 2193 CB GLU A 140 9.537 5.851 -0.300 1.00 0.01 C ATOM 2194 CG GLU A 140 10.091 7.264 -0.525 1.00 0.02 C ATOM 2195 CD GLU A 140 9.086 8.085 -1.337 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.105 7.512 -1.782 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.315 9.272 -1.497 1.00 0.02 O ATOM 0 H GLU A 140 8.288 3.760 -0.601 1.00 0.01 H new ATOM 0 HA GLU A 140 9.548 5.596 -2.471 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.481 5.904 -0.035 1.00 0.01 H new ATOM 0 HB3 GLU A 140 10.053 5.378 0.536 1.00 0.01 H new ATOM 0 HG2 GLU A 140 10.282 7.748 0.433 1.00 0.02 H new ATOM 0 HG3 GLU A 140 11.044 7.213 -1.052 1.00 0.02 H new ATOM 2204 N LEU A 141 11.445 3.334 -1.044 1.00 0.01 N ATOM 2205 CA LEU A 141 12.852 2.805 -1.077 1.00 0.02 C ATOM 2206 C LEU A 141 12.865 1.469 -1.849 1.00 0.01 C ATOM 2207 O LEU A 141 11.863 0.782 -1.905 1.00 0.01 O ATOM 2208 CB LEU A 141 13.318 2.574 0.376 1.00 0.57 C ATOM 2209 CG LEU A 141 13.867 3.885 0.979 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.796 3.819 2.507 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.328 4.101 0.559 1.00 1.24 C ATOM 0 H LEU A 141 10.774 2.748 -0.548 1.00 0.01 H new ATOM 0 HA LEU A 141 13.519 3.512 -1.571 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.486 2.210 0.978 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.089 1.804 0.399 1.00 0.57 H new ATOM 0 HG LEU A 141 13.261 4.713 0.611 1.00 0.81 H new ATOM 0 HD11 LEU A 141 14.184 4.746 2.930 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.760 3.685 2.818 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.393 2.980 2.863 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.698 5.030 0.993 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.935 3.268 0.913 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.389 4.159 -0.528 1.00 1.24 H new ATOM 2223 N PRO A 142 13.988 1.096 -2.438 1.00 0.01 N ATOM 2224 CA PRO A 142 14.068 -0.177 -3.211 1.00 0.01 C ATOM 2225 C PRO A 142 13.636 -1.403 -2.400 1.00 0.01 C ATOM 2226 O PRO A 142 13.456 -1.358 -1.195 1.00 0.01 O ATOM 2227 CB PRO A 142 15.565 -0.254 -3.592 1.00 0.01 C ATOM 2228 CG PRO A 142 16.299 0.916 -2.912 1.00 0.02 C ATOM 2229 CD PRO A 142 15.246 1.899 -2.382 1.00 0.01 C ATOM 0 HA PRO A 142 13.393 -0.181 -4.067 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.990 -1.206 -3.272 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.684 -0.199 -4.674 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.923 0.551 -2.096 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.961 1.413 -3.621 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.472 2.226 -1.367 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.182 2.795 -2.999 1.00 0.01 H new ATOM 2237 N ASN A 143 13.489 -2.500 -3.094 1.00 0.01 N ATOM 2238 CA ASN A 143 13.101 -3.786 -2.456 1.00 0.01 C ATOM 2239 C ASN A 143 11.777 -3.661 -1.708 1.00 0.01 C ATOM 2240 O ASN A 143 11.541 -4.323 -0.716 1.00 0.01 O ATOM 2241 CB ASN A 143 14.196 -4.216 -1.479 1.00 0.23 C ATOM 2242 CG ASN A 143 13.868 -5.602 -0.920 1.00 0.11 C ATOM 2243 OD1 ASN A 143 14.506 -6.063 0.006 1.00 0.75 O ATOM 2244 ND2 ASN A 143 12.895 -6.293 -1.449 1.00 0.56 N ATOM 0 H ASN A 143 13.626 -2.556 -4.103 1.00 0.01 H new ATOM 0 HA ASN A 143 12.979 -4.532 -3.241 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.162 -4.236 -1.984 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.276 -3.494 -0.666 1.00 0.23 H new ATOM 0 HD21 ASN A 143 12.671 -7.219 -1.085 1.00 0.56 H new ATOM 0 HD22 ASN A 143 12.359 -5.907 -2.226 1.00 0.56 H new ATOM 2251 N TYR A 144 10.900 -2.831 -2.198 1.00 0.01 N ATOM 2252 CA TYR A 144 9.570 -2.666 -1.557 1.00 0.02 C ATOM 2253 C TYR A 144 9.732 -2.291 -0.082 1.00 0.01 C ATOM 2254 O TYR A 144 9.103 -2.869 0.783 1.00 0.01 O ATOM 2255 CB TYR A 144 8.792 -3.982 -1.680 1.00 0.01 C ATOM 2256 CG TYR A 144 9.099 -4.610 -3.022 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.886 -3.876 -4.196 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.604 -5.915 -3.094 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.176 -4.446 -5.441 1.00 0.01 C ATOM 2260 CE2 TYR A 144 9.895 -6.484 -4.340 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.681 -5.751 -5.513 1.00 0.01 C ATOM 2262 OH TYR A 144 9.967 -6.312 -6.741 1.00 0.01 O ATOM 0 H TYR A 144 11.052 -2.254 -3.025 1.00 0.01 H new ATOM 0 HA TYR A 144 9.024 -1.866 -2.057 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.070 -4.661 -0.874 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.722 -3.797 -1.586 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.498 -2.870 -4.140 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.769 -6.482 -2.189 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.011 -3.880 -6.346 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.285 -7.490 -4.396 1.00 0.01 H new ATOM 0 HH TYR A 144 10.310 -7.221 -6.613 1.00 0.01 H new ATOM 2272 N ARG A 145 10.568 -1.320 0.206 1.00 0.02 N ATOM 2273 CA ARG A 145 10.775 -0.891 1.631 1.00 0.01 C ATOM 2274 C ARG A 145 10.444 0.598 1.773 1.00 0.01 C ATOM 2275 O ARG A 145 10.344 1.315 0.796 1.00 0.01 O ATOM 2276 CB ARG A 145 12.245 -1.109 2.016 1.00 0.01 C ATOM 2277 CG ARG A 145 12.531 -2.615 2.216 1.00 0.02 C ATOM 2278 CD ARG A 145 12.314 -3.010 3.689 1.00 0.01 C ATOM 2279 NE ARG A 145 11.266 -2.141 4.295 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.699 -2.489 5.417 1.00 0.01 C ATOM 2281 NH1 ARG A 145 11.048 -3.597 6.011 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.781 -1.725 5.946 1.00 0.01 N ATOM 0 H ARG A 145 11.117 -0.805 -0.483 1.00 0.02 H new ATOM 0 HA ARG A 145 10.126 -1.477 2.282 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.895 -0.709 1.238 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.472 -0.564 2.932 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.876 -3.205 1.574 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.555 -2.840 1.919 1.00 0.02 H new ATOM 0 HD2 ARG A 145 12.015 -4.056 3.754 1.00 0.01 H new ATOM 0 HD3 ARG A 145 13.247 -2.910 4.243 1.00 0.01 H new ATOM 0 HE ARG A 145 10.992 -1.274 3.832 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.765 -4.193 5.598 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.603 -3.867 6.888 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.509 -0.858 5.482 1.00 0.01 H new ATOM 0 HH22 ARG A 145 9.336 -1.995 6.823 1.00 0.01 H new ATOM 2296 N GLY A 146 10.255 1.069 2.983 1.00 0.01 N ATOM 2297 CA GLY A 146 9.921 2.510 3.194 1.00 0.02 C ATOM 2298 C GLY A 146 8.405 2.712 3.149 1.00 0.01 C ATOM 2299 O GLY A 146 7.635 1.775 3.228 1.00 0.02 O ATOM 0 H GLY A 146 10.318 0.513 3.836 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.312 2.845 4.155 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.399 3.118 2.426 1.00 0.02 H new ATOM 2303 N ARG A 147 7.976 3.939 3.026 1.00 0.01 N ATOM 2304 CA ARG A 147 6.513 4.225 2.976 1.00 0.01 C ATOM 2305 C ARG A 147 5.946 3.705 1.658 1.00 0.01 C ATOM 2306 O ARG A 147 6.590 3.742 0.626 1.00 0.01 O ATOM 2307 CB ARG A 147 6.285 5.738 3.067 1.00 0.01 C ATOM 2308 CG ARG A 147 4.803 6.046 2.833 1.00 0.01 C ATOM 2309 CD ARG A 147 4.486 7.463 3.316 1.00 0.01 C ATOM 2310 NE ARG A 147 3.070 7.789 2.991 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.485 8.804 3.565 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.139 9.530 4.428 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.245 9.090 3.278 1.00 0.02 N ATOM 0 H ARG A 147 8.578 4.759 2.958 1.00 0.01 H new ATOM 0 HA ARG A 147 6.014 3.733 3.811 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.593 6.105 4.046 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.896 6.254 2.326 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.565 5.951 1.773 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.184 5.324 3.364 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.651 7.539 4.391 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.155 8.180 2.840 1.00 0.01 H new ATOM 0 HE ARG A 147 2.557 7.218 2.319 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.108 9.304 4.654 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.682 10.324 4.877 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.733 8.520 2.605 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.788 9.884 3.727 1.00 0.02 H new ATOM 2327 N GLN A 148 4.743 3.187 1.706 1.00 0.01 N ATOM 2328 CA GLN A 148 4.098 2.613 0.487 1.00 0.01 C ATOM 2329 C GLN A 148 2.896 3.472 0.084 1.00 0.01 C ATOM 2330 O GLN A 148 2.222 4.044 0.917 1.00 0.01 O ATOM 2331 CB GLN A 148 3.612 1.198 0.842 1.00 0.00 C ATOM 2332 CG GLN A 148 4.610 0.536 1.795 1.00 0.02 C ATOM 2333 CD GLN A 148 4.300 -0.959 1.901 1.00 0.02 C ATOM 2334 OE1 GLN A 148 5.076 -1.714 2.452 1.00 0.02 O ATOM 2335 NE2 GLN A 148 3.188 -1.421 1.395 1.00 0.01 N ATOM 0 H GLN A 148 4.174 3.138 2.551 1.00 0.01 H new ATOM 0 HA GLN A 148 4.806 2.587 -0.342 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.627 1.247 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.508 0.601 -0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.627 0.682 1.432 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.552 1.001 2.779 1.00 0.02 H new ATOM 0 HE21 GLN A 148 2.536 -0.787 0.932 1.00 0.01 H new ATOM 0 HE22 GLN A 148 2.971 -2.415 1.463 1.00 0.01 H new ATOM 2344 N TYR A 149 2.618 3.545 -1.191 1.00 0.01 N ATOM 2345 CA TYR A 149 1.453 4.340 -1.689 1.00 0.01 C ATOM 2346 C TYR A 149 0.547 3.414 -2.499 1.00 0.01 C ATOM 2347 O TYR A 149 1.021 2.651 -3.318 1.00 0.01 O ATOM 2348 CB TYR A 149 1.947 5.488 -2.571 1.00 0.01 C ATOM 2349 CG TYR A 149 2.574 6.553 -1.701 1.00 0.01 C ATOM 2350 CD1 TYR A 149 1.768 7.343 -0.872 1.00 0.01 C ATOM 2351 CD2 TYR A 149 3.961 6.752 -1.720 1.00 0.01 C ATOM 2352 CE1 TYR A 149 2.347 8.330 -0.064 1.00 0.01 C ATOM 2353 CE2 TYR A 149 4.539 7.738 -0.912 1.00 0.01 C ATOM 2354 CZ TYR A 149 3.732 8.527 -0.084 1.00 0.01 C ATOM 2355 OH TYR A 149 4.302 9.499 0.713 1.00 0.01 O ATOM 0 H TYR A 149 3.157 3.080 -1.921 1.00 0.01 H new ATOM 0 HA TYR A 149 0.900 4.760 -0.849 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.674 5.119 -3.295 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.117 5.908 -3.139 1.00 0.01 H new ATOM 0 HD1 TYR A 149 0.699 7.191 -0.856 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.585 6.144 -2.359 1.00 0.01 H new ATOM 0 HE1 TYR A 149 1.724 8.939 0.574 1.00 0.01 H new ATOM 0 HE2 TYR A 149 5.608 7.890 -0.927 1.00 0.01 H new ATOM 0 HH TYR A 149 5.273 9.503 0.580 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.742 3.442 -2.277 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.647 2.524 -3.037 1.00 0.01 C ATOM 2367 C LEU A 150 -2.234 3.264 -4.240 1.00 0.01 C ATOM 2368 O LEU A 150 -2.912 4.263 -4.100 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.771 2.070 -2.095 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.646 1.000 -2.777 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -2.919 -0.354 -2.807 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -4.956 0.853 -1.997 1.00 0.01 C ATOM 0 H LEU A 150 -1.206 4.056 -1.607 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.094 1.657 -3.399 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.344 1.668 -1.176 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.385 2.925 -1.813 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.850 1.311 -3.802 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.553 -1.096 -3.292 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -1.986 -0.254 -3.362 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.702 -0.673 -1.788 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.580 0.097 -2.474 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -4.738 0.550 -0.973 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.483 1.807 -1.988 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.990 2.765 -5.424 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.542 3.408 -6.652 1.00 0.01 C ATOM 2386 C LEU A 151 -3.814 2.659 -7.052 1.00 0.01 C ATOM 2387 O LEU A 151 -3.871 1.449 -6.970 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.511 3.321 -7.784 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.448 4.410 -7.602 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.328 4.163 -6.306 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.515 4.377 -8.791 1.00 0.01 C ATOM 0 H LEU A 151 -1.427 1.932 -5.593 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.768 4.457 -6.462 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -1.041 2.338 -7.785 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -2.005 3.440 -8.748 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.931 5.386 -7.549 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.083 4.939 -6.180 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.360 4.185 -5.460 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.814 3.189 -6.353 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.273 5.150 -8.667 1.00 0.01 H new ATOM 0 HD22 LEU A 151 0.997 3.401 -8.842 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -0.039 4.557 -9.713 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.833 3.361 -7.476 1.00 0.01 N ATOM 2404 CA ASP A 152 -6.112 2.685 -7.869 1.00 0.01 C ATOM 2405 C ASP A 152 -6.272 2.717 -9.390 1.00 0.00 C ATOM 2406 O ASP A 152 -5.373 3.093 -10.114 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.285 3.423 -7.221 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.108 3.424 -5.701 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.019 3.740 -5.252 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -8.064 3.108 -5.013 1.00 1.57 O ATOM 0 H ASP A 152 -4.837 4.377 -7.568 1.00 0.01 H new ATOM 0 HA ASP A 152 -6.092 1.648 -7.534 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.335 4.446 -7.593 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.225 2.940 -7.488 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.415 2.313 -9.876 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.646 2.308 -11.349 1.00 0.01 C ATOM 2417 C LYS A 153 -7.773 3.748 -11.853 1.00 0.01 C ATOM 2418 O LYS A 153 -8.599 4.050 -12.690 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.936 1.546 -11.658 1.00 0.38 C ATOM 2420 CG LYS A 153 -10.050 2.029 -10.724 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.397 1.455 -11.177 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.449 -0.051 -10.894 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.858 -0.522 -10.995 1.00 1.84 N ATOM 0 H LYS A 153 -8.201 1.985 -9.314 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.806 1.823 -11.846 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -9.224 1.704 -12.697 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.778 0.475 -11.530 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.838 1.719 -9.701 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -10.090 3.118 -10.725 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -12.210 1.959 -10.655 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.540 1.638 -12.242 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -10.822 -0.588 -11.605 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -11.054 -0.260 -9.900 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -12.897 -1.543 -10.804 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -13.444 -0.017 -10.300 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -13.219 -0.335 -11.952 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.958 4.636 -11.341 1.00 0.00 N ATOM 2438 CA LYS A 154 -7.013 6.070 -11.770 1.00 0.01 C ATOM 2439 C LYS A 154 -5.721 6.426 -12.511 1.00 0.01 C ATOM 2440 O LYS A 154 -4.758 5.685 -12.491 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.150 6.951 -10.522 1.00 0.39 C ATOM 2442 CG LYS A 154 -7.627 8.353 -10.914 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.901 9.169 -9.649 1.00 0.97 C ATOM 2444 CE LYS A 154 -8.578 10.486 -10.027 1.00 1.44 C ATOM 2445 NZ LYS A 154 -9.047 11.174 -8.792 1.00 2.28 N ATOM 0 H LYS A 154 -6.250 4.428 -10.637 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.863 6.232 -12.432 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.857 6.500 -9.825 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -6.192 7.016 -10.007 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.872 8.849 -11.523 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.531 8.286 -11.519 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.538 8.603 -8.969 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.968 9.366 -9.122 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -7.880 11.124 -10.569 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -9.420 10.297 -10.693 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -9.508 12.070 -9.048 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -9.726 10.566 -8.292 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -8.234 11.367 -8.172 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.693 7.565 -13.155 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.466 7.998 -13.894 1.00 0.01 C ATOM 2461 C GLU A 155 -3.760 9.066 -13.061 1.00 0.01 C ATOM 2462 O GLU A 155 -4.369 10.027 -12.638 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.869 8.581 -15.253 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.095 9.488 -15.094 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.466 10.084 -16.455 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -6.905 9.331 -17.309 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.308 11.282 -16.619 1.00 0.01 O ATOM 0 H GLU A 155 -6.474 8.220 -13.201 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.800 7.151 -14.058 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.039 9.148 -15.675 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -5.092 7.775 -15.952 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -6.933 8.918 -14.693 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -5.882 10.285 -14.381 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.486 8.900 -12.791 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.764 9.904 -11.950 1.00 0.01 C ATOM 2476 C TYR A 156 -0.939 10.845 -12.826 1.00 0.01 C ATOM 2477 O TYR A 156 0.029 10.445 -13.442 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.863 9.154 -10.970 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.727 8.285 -10.088 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.024 6.974 -10.477 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.242 8.795 -8.891 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.839 6.173 -9.668 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.054 7.993 -8.082 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.353 6.683 -8.469 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.156 5.896 -7.673 1.00 0.01 O ATOM 0 H TYR A 156 -1.919 8.117 -13.115 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.483 10.511 -11.400 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.141 8.543 -11.512 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.293 9.859 -10.365 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.625 6.581 -11.400 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -2.013 9.807 -8.592 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.071 5.162 -9.968 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.450 8.386 -7.157 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.426 6.402 -6.879 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.335 12.091 -12.914 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.600 13.055 -13.785 1.00 0.01 C ATOM 2497 C ARG A 157 0.451 13.819 -12.980 1.00 0.00 C ATOM 2498 O ARG A 157 1.447 14.252 -13.524 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.595 14.051 -14.385 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.411 14.699 -13.265 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.346 15.752 -13.860 1.00 0.00 C ATOM 2502 NE ARG A 157 -2.551 16.723 -14.663 1.00 0.01 N ATOM 2503 CZ ARG A 157 -3.152 17.520 -15.504 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -4.449 17.467 -15.641 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -2.457 18.372 -16.207 1.00 0.01 N ATOM 0 H ARG A 157 -2.137 12.481 -12.419 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.098 12.498 -14.577 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -1.063 14.816 -14.950 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -2.258 13.542 -15.084 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.989 13.941 -12.736 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -1.745 15.159 -12.535 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.098 15.274 -14.488 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.879 16.272 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 157 -1.538 16.765 -14.556 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -4.993 16.803 -15.091 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -4.918 18.090 -16.298 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -1.444 18.415 -16.099 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -2.927 18.995 -16.864 1.00 0.01 H new ATOM 2519 N LYS A 158 0.256 13.980 -11.691 1.00 0.01 N ATOM 2520 CA LYS A 158 1.260 14.705 -10.849 1.00 0.01 C ATOM 2521 C LYS A 158 1.697 13.760 -9.715 1.00 0.01 C ATOM 2522 O LYS A 158 0.946 12.893 -9.321 1.00 0.01 O ATOM 2523 CB LYS A 158 0.593 15.955 -10.251 1.00 0.58 C ATOM 2524 CG LYS A 158 0.617 17.095 -11.276 1.00 0.97 C ATOM 2525 CD LYS A 158 -0.010 18.349 -10.663 1.00 1.44 C ATOM 2526 CE LYS A 158 -0.305 19.365 -11.770 1.00 2.13 C ATOM 2527 NZ LYS A 158 0.960 19.704 -12.479 1.00 2.54 N ATOM 0 H LYS A 158 -0.561 13.638 -11.185 1.00 0.01 H new ATOM 0 HA LYS A 158 2.124 15.005 -11.442 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.435 15.730 -9.967 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.115 16.258 -9.343 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.643 17.301 -11.582 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.070 16.803 -12.172 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.929 18.090 -10.138 1.00 1.44 H new ATOM 0 HD3 LYS A 158 0.666 18.784 -9.926 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -1.030 18.954 -12.473 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.749 20.265 -11.344 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 0.815 20.553 -13.061 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 1.710 19.886 -11.782 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 1.240 18.910 -13.089 1.00 2.54 H new ATOM 2541 N PRO A 159 2.879 13.919 -9.168 1.00 0.01 N ATOM 2542 CA PRO A 159 3.314 13.030 -8.055 1.00 0.02 C ATOM 2543 C PRO A 159 2.394 13.182 -6.834 1.00 0.01 C ATOM 2544 O PRO A 159 2.033 12.214 -6.202 1.00 0.01 O ATOM 2545 CB PRO A 159 4.746 13.527 -7.777 1.00 0.41 C ATOM 2546 CG PRO A 159 4.937 14.865 -8.519 1.00 0.70 C ATOM 2547 CD PRO A 159 3.849 14.966 -9.598 1.00 0.28 C ATOM 0 HA PRO A 159 3.274 11.967 -8.293 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.903 13.659 -6.706 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.477 12.794 -8.118 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.863 15.701 -7.823 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.928 14.913 -8.971 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.394 15.956 -9.625 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.245 14.770 -10.594 1.00 0.28 H new ATOM 2555 N VAL A 160 2.018 14.375 -6.490 1.00 0.01 N ATOM 2556 CA VAL A 160 1.132 14.552 -5.306 1.00 0.02 C ATOM 2557 C VAL A 160 -0.189 13.813 -5.543 1.00 0.02 C ATOM 2558 O VAL A 160 -0.932 13.542 -4.620 1.00 0.02 O ATOM 2559 CB VAL A 160 0.857 16.043 -5.100 1.00 0.14 C ATOM 2560 CG1 VAL A 160 0.035 16.241 -3.825 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.186 16.792 -4.971 1.00 0.74 C ATOM 0 H VAL A 160 2.282 15.234 -6.972 1.00 0.01 H new ATOM 0 HA VAL A 160 1.618 14.146 -4.419 1.00 0.02 H new ATOM 0 HB VAL A 160 0.301 16.431 -5.953 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.160 17.303 -3.679 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.911 15.707 -3.915 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.590 15.854 -2.971 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.992 17.855 -4.824 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.741 16.403 -4.118 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.772 16.652 -5.879 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.503 13.499 -6.767 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.791 12.801 -7.035 1.00 0.01 C ATOM 2573 C ASP A 161 -1.821 11.391 -6.418 1.00 0.01 C ATOM 2574 O ASP A 161 -2.887 10.840 -6.225 1.00 0.01 O ATOM 2575 CB ASP A 161 -1.998 12.683 -8.545 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.402 12.145 -8.830 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.147 11.958 -7.882 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.708 11.930 -9.991 1.00 0.00 O ATOM 0 H ASP A 161 0.070 13.693 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.587 13.389 -6.579 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.868 13.657 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.249 12.018 -8.974 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.685 10.807 -6.071 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.720 9.437 -5.430 1.00 0.01 C ATOM 2585 C TRP A 162 -0.520 9.561 -3.911 1.00 0.01 C ATOM 2586 O TRP A 162 -0.290 8.583 -3.227 1.00 0.01 O ATOM 2587 CB TRP A 162 0.309 8.463 -6.036 1.00 0.01 C ATOM 2588 CG TRP A 162 1.648 9.089 -6.243 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.341 9.801 -5.327 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.484 9.020 -7.430 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.548 10.187 -5.889 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.681 9.727 -7.182 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.314 8.422 -8.690 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.679 9.834 -8.152 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.315 8.528 -9.667 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.494 9.232 -9.398 1.00 0.01 C ATOM 0 H TRP A 162 0.244 11.208 -6.200 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.703 9.013 -5.635 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.415 7.599 -5.380 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.066 8.094 -6.991 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.010 10.031 -4.325 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.252 10.744 -5.405 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.407 7.877 -8.908 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.587 10.378 -7.940 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.175 8.064 -10.632 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.261 9.310 -10.154 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.673 10.744 -3.369 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.568 10.917 -1.885 1.00 0.01 C ATOM 2609 C GLY A 163 0.875 11.126 -1.410 1.00 0.01 C ATOM 2610 O GLY A 163 1.151 11.077 -0.228 1.00 0.01 O ATOM 0 H GLY A 163 -0.866 11.599 -3.890 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.173 11.771 -1.580 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -0.984 10.039 -1.391 1.00 0.01 H new ATOM 2614 N ALA A 164 1.802 11.349 -2.303 1.00 0.01 N ATOM 2615 CA ALA A 164 3.227 11.547 -1.873 1.00 0.02 C ATOM 2616 C ALA A 164 3.571 13.036 -1.862 1.00 0.01 C ATOM 2617 O ALA A 164 3.178 13.788 -2.729 1.00 0.02 O ATOM 2618 CB ALA A 164 4.151 10.863 -2.875 1.00 0.01 C ATOM 0 H ALA A 164 1.640 11.403 -3.309 1.00 0.01 H new ATOM 0 HA ALA A 164 3.353 11.127 -0.875 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.188 11.003 -2.568 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.924 9.798 -2.911 1.00 0.01 H new ATOM 0 HB3 ALA A 164 4.003 11.299 -3.863 1.00 0.01 H new ATOM 2624 N ALA A 165 4.320 13.455 -0.879 1.00 0.02 N ATOM 2625 CA ALA A 165 4.722 14.887 -0.788 1.00 0.01 C ATOM 2626 C ALA A 165 5.970 15.124 -1.642 1.00 0.02 C ATOM 2627 O ALA A 165 6.403 16.245 -1.820 1.00 0.01 O ATOM 2628 CB ALA A 165 5.035 15.246 0.666 1.00 0.59 C ATOM 0 H ALA A 165 4.674 12.861 -0.129 1.00 0.02 H new ATOM 0 HA ALA A 165 3.904 15.510 -1.149 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.328 16.294 0.727 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.150 15.081 1.280 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.850 14.619 1.028 1.00 0.59 H new ATOM 2634 N SER A 166 6.553 14.077 -2.176 1.00 0.01 N ATOM 2635 CA SER A 166 7.777 14.236 -3.029 1.00 0.01 C ATOM 2636 C SER A 166 7.695 13.256 -4.216 1.00 0.02 C ATOM 2637 O SER A 166 7.119 12.194 -4.085 1.00 0.01 O ATOM 2638 CB SER A 166 9.016 13.911 -2.191 1.00 0.72 C ATOM 2639 OG SER A 166 8.906 14.544 -0.925 1.00 0.87 O ATOM 0 H SER A 166 6.234 13.115 -2.058 1.00 0.01 H new ATOM 0 HA SER A 166 7.841 15.259 -3.400 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.111 12.833 -2.064 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.915 14.252 -2.704 1.00 0.72 H new ATOM 0 HG SER A 166 9.697 14.336 -0.386 1.00 0.87 H new ATOM 2645 N PRO A 167 8.271 13.575 -5.363 1.00 0.02 N ATOM 2646 CA PRO A 167 8.224 12.639 -6.525 1.00 0.01 C ATOM 2647 C PRO A 167 9.171 11.449 -6.339 1.00 0.01 C ATOM 2648 O PRO A 167 9.513 10.762 -7.287 1.00 0.01 O ATOM 2649 CB PRO A 167 8.707 13.534 -7.677 1.00 0.38 C ATOM 2650 CG PRO A 167 9.477 14.707 -7.054 1.00 0.35 C ATOM 2651 CD PRO A 167 8.993 14.866 -5.603 1.00 0.22 C ATOM 0 HA PRO A 167 7.240 12.197 -6.678 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.347 12.972 -8.357 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.862 13.897 -8.262 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.550 14.517 -7.081 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.301 15.623 -7.618 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.823 15.002 -4.910 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.335 15.727 -5.486 1.00 0.22 H new ATOM 2659 N ALA A 168 9.626 11.213 -5.137 1.00 0.01 N ATOM 2660 CA ALA A 168 10.576 10.087 -4.928 1.00 0.01 C ATOM 2661 C ALA A 168 9.825 8.764 -4.794 1.00 0.01 C ATOM 2662 O ALA A 168 9.021 8.563 -3.910 1.00 0.02 O ATOM 2663 CB ALA A 168 11.382 10.338 -3.653 1.00 0.18 C ATOM 0 H ALA A 168 9.383 11.745 -4.301 1.00 0.01 H new ATOM 0 HA ALA A 168 11.241 10.027 -5.789 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.080 9.515 -3.496 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.937 11.271 -3.751 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.704 10.407 -2.802 1.00 0.18 H new ATOM 2669 N ILE A 169 10.137 7.865 -5.683 1.00 0.01 N ATOM 2670 CA ILE A 169 9.525 6.505 -5.700 1.00 0.01 C ATOM 2671 C ILE A 169 10.593 5.581 -6.297 1.00 0.01 C ATOM 2672 O ILE A 169 11.118 5.853 -7.358 1.00 0.01 O ATOM 2673 CB ILE A 169 8.247 6.546 -6.577 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.996 6.872 -5.710 1.00 2.75 C ATOM 2675 CG2 ILE A 169 8.038 5.202 -7.290 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.013 7.752 -6.498 1.00 3.99 C ATOM 0 H ILE A 169 10.817 8.022 -6.427 1.00 0.01 H new ATOM 0 HA ILE A 169 9.229 6.153 -4.712 1.00 0.01 H new ATOM 0 HB ILE A 169 8.378 7.330 -7.323 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.504 5.947 -5.407 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.301 7.384 -4.797 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.136 5.250 -7.901 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.897 4.991 -7.927 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.932 4.410 -6.549 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.144 7.971 -5.878 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.503 8.684 -6.778 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.694 7.225 -7.397 1.00 3.99 H new ATOM 2688 N GLN A 170 10.958 4.525 -5.605 1.00 0.01 N ATOM 2689 CA GLN A 170 12.043 3.623 -6.115 1.00 0.01 C ATOM 2690 C GLN A 170 11.539 2.230 -6.512 1.00 0.02 C ATOM 2691 O GLN A 170 12.260 1.501 -7.165 1.00 0.01 O ATOM 2692 CB GLN A 170 13.104 3.475 -5.024 1.00 2.62 C ATOM 2693 CG GLN A 170 13.667 4.855 -4.675 1.00 3.39 C ATOM 2694 CD GLN A 170 14.472 5.394 -5.861 1.00 4.36 C ATOM 2695 OE1 GLN A 170 14.002 6.243 -6.592 1.00 4.83 O ATOM 2696 NE2 GLN A 170 15.671 4.930 -6.083 1.00 5.17 N ATOM 0 H GLN A 170 10.552 4.249 -4.711 1.00 0.01 H new ATOM 0 HA GLN A 170 12.449 4.081 -7.017 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.669 3.012 -4.138 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.904 2.819 -5.366 1.00 2.62 H new ATOM 0 HG2 GLN A 170 12.855 5.540 -4.432 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.302 4.788 -3.792 1.00 3.39 H new ATOM 0 HE21 GLN A 170 16.064 4.217 -5.468 1.00 5.17 H new ATOM 0 HE22 GLN A 170 16.215 5.280 -6.871 1.00 5.17 H new ATOM 2705 N SER A 171 10.345 1.808 -6.167 1.00 0.01 N ATOM 2706 CA SER A 171 9.933 0.430 -6.601 1.00 0.01 C ATOM 2707 C SER A 171 8.406 0.329 -6.636 1.00 0.01 C ATOM 2708 O SER A 171 7.704 1.089 -5.998 1.00 0.01 O ATOM 2709 CB SER A 171 10.496 -0.602 -5.620 1.00 0.01 C ATOM 2710 OG SER A 171 9.557 -0.820 -4.579 1.00 0.02 O ATOM 0 H SER A 171 9.659 2.333 -5.624 1.00 0.01 H new ATOM 0 HA SER A 171 10.325 0.235 -7.599 1.00 0.01 H new ATOM 0 HB2 SER A 171 10.705 -1.538 -6.139 1.00 0.01 H new ATOM 0 HB3 SER A 171 11.440 -0.249 -5.206 1.00 0.01 H new ATOM 0 HG SER A 171 10.025 -0.855 -3.719 1.00 0.02 H new ATOM 2716 N PHE A 172 7.884 -0.627 -7.365 1.00 0.01 N ATOM 2717 CA PHE A 172 6.398 -0.792 -7.426 1.00 0.01 C ATOM 2718 C PHE A 172 6.031 -2.253 -7.709 1.00 0.01 C ATOM 2719 O PHE A 172 6.802 -3.002 -8.280 1.00 0.01 O ATOM 2720 CB PHE A 172 5.806 0.115 -8.509 1.00 1.06 C ATOM 2721 CG PHE A 172 6.385 -0.230 -9.862 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.918 -1.348 -10.562 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.381 0.578 -10.420 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.450 -1.657 -11.819 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.912 0.270 -11.678 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.447 -0.848 -12.378 1.00 1.92 C ATOM 0 H PHE A 172 8.419 -1.297 -7.918 1.00 0.01 H new ATOM 0 HA PHE A 172 5.981 -0.507 -6.460 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.722 0.004 -8.532 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.015 1.158 -8.272 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.148 -1.972 -10.133 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.741 1.441 -9.879 1.00 1.29 H new ATOM 0 HE1 PHE A 172 6.091 -2.521 -12.359 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.680 0.895 -12.108 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.856 -1.087 -13.348 1.00 1.92 H new ATOM 2736 N ARG A 173 4.858 -2.669 -7.294 1.00 0.01 N ATOM 2737 CA ARG A 173 4.432 -4.086 -7.516 1.00 0.01 C ATOM 2738 C ARG A 173 2.936 -4.143 -7.833 1.00 0.01 C ATOM 2739 O ARG A 173 2.149 -3.352 -7.352 1.00 0.01 O ATOM 2740 CB ARG A 173 4.660 -4.895 -6.237 1.00 0.01 C ATOM 2741 CG ARG A 173 6.152 -5.060 -5.955 1.00 0.01 C ATOM 2742 CD ARG A 173 6.319 -5.988 -4.750 1.00 0.01 C ATOM 2743 NE ARG A 173 5.411 -5.542 -3.656 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.156 -6.339 -2.656 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.696 -7.525 -2.613 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.362 -5.949 -1.698 1.00 0.01 N ATOM 0 H ARG A 173 4.176 -2.086 -6.810 1.00 0.01 H new ATOM 0 HA ARG A 173 5.012 -4.493 -8.345 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.180 -4.395 -5.396 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.194 -5.875 -6.334 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.658 -5.476 -6.826 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.609 -4.091 -5.753 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.089 -7.015 -5.033 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.354 -5.976 -4.407 1.00 0.01 H new ATOM 0 HE ARG A 173 4.989 -4.614 -3.689 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.318 -7.830 -3.362 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.496 -8.148 -1.831 1.00 0.01 H new ATOM 0 HH21 ARG A 173 3.941 -5.021 -1.731 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.162 -6.572 -0.916 1.00 0.01 H new ATOM 2760 N ARG A 174 2.539 -5.104 -8.622 1.00 0.01 N ATOM 2761 CA ARG A 174 1.096 -5.257 -8.957 1.00 0.01 C ATOM 2762 C ARG A 174 0.442 -6.104 -7.865 1.00 0.01 C ATOM 2763 O ARG A 174 1.029 -7.048 -7.376 1.00 0.01 O ATOM 2764 CB ARG A 174 0.941 -5.971 -10.302 1.00 0.01 C ATOM 2765 CG ARG A 174 1.635 -7.338 -10.246 1.00 0.01 C ATOM 2766 CD ARG A 174 1.872 -7.851 -11.669 1.00 0.01 C ATOM 2767 NE ARG A 174 2.223 -9.298 -11.624 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.183 -10.013 -12.715 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.842 -9.461 -13.846 1.00 0.01 N ATOM 2770 NH2 ARG A 174 2.486 -11.282 -12.672 1.00 0.01 N ATOM 0 H ARG A 174 3.157 -5.793 -9.051 1.00 0.01 H new ATOM 0 HA ARG A 174 0.626 -4.276 -9.022 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.116 -6.098 -10.537 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.374 -5.365 -11.098 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.584 -7.254 -9.716 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.021 -8.047 -9.690 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.978 -7.702 -12.274 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.675 -7.286 -12.142 1.00 0.01 H new ATOM 0 HE ARG A 174 2.495 -9.730 -10.741 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.606 -8.469 -13.879 1.00 0.01 H new ATOM 0 HH12 ARG A 174 1.811 -10.021 -14.698 1.00 0.01 H new ATOM 0 HH21 ARG A 174 2.753 -11.713 -11.787 1.00 0.01 H new ATOM 0 HH22 ARG A 174 2.455 -11.843 -13.523 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.767 -5.787 -7.479 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.439 -6.600 -6.416 1.00 0.01 C ATOM 2786 C ILE A 175 -2.320 -7.671 -7.063 1.00 0.00 C ATOM 2787 O ILE A 175 -3.126 -7.391 -7.928 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.295 -5.700 -5.528 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.496 -4.440 -5.171 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.653 -6.451 -4.243 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.317 -3.523 -4.252 1.00 3.04 C ATOM 0 H ILE A 175 -1.315 -5.010 -7.848 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.675 -7.080 -5.804 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.207 -5.422 -6.056 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.566 -4.720 -4.677 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.225 -3.904 -6.081 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.264 -5.812 -3.606 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.210 -7.354 -4.493 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.740 -6.723 -3.714 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.734 -2.635 -4.009 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.235 -3.227 -4.759 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.565 -4.056 -3.334 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.161 -8.904 -6.649 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.974 -10.019 -7.229 1.00 0.00 C ATOM 2805 C VAL A 176 -3.442 -10.952 -6.110 1.00 0.01 C ATOM 2806 O VAL A 176 -2.777 -11.117 -5.106 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.119 -10.820 -8.212 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.597 -9.892 -9.309 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.936 -11.442 -7.467 1.00 1.89 C ATOM 0 H VAL A 176 -1.498 -9.188 -5.928 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.837 -9.598 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.724 -11.608 -8.660 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.988 -10.463 -10.009 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.438 -9.447 -9.840 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -0.992 -9.104 -8.861 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.325 -12.013 -8.166 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.332 -10.653 -7.019 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.306 -12.104 -6.684 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.583 -11.565 -6.278 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.107 -12.491 -5.232 1.00 0.01 C ATOM 2821 C GLU A 177 -3.984 -13.420 -4.757 1.00 0.01 C ATOM 2822 O GLU A 177 -4.230 -14.493 -4.243 1.00 0.01 O ATOM 2823 CB GLU A 177 -6.258 -13.331 -5.813 1.00 2.15 C ATOM 2824 CG GLU A 177 -7.170 -12.453 -6.689 1.00 3.19 C ATOM 2825 CD GLU A 177 -6.597 -12.348 -8.106 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -6.597 -13.351 -8.801 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -6.168 -11.265 -8.471 1.00 4.77 O ATOM 0 H GLU A 177 -5.178 -11.463 -7.100 1.00 0.01 H new ATOM 0 HA GLU A 177 -5.476 -11.908 -4.388 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -5.855 -14.153 -6.405 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.838 -13.775 -5.004 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -8.173 -12.879 -6.725 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -7.261 -11.459 -6.251 1.00 3.19 H new TER 2834 GLU A 177