USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1067 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 116 LYS NZ :NH3+ -158:sc= 0.858 (180deg=0) USER MOD Set 1.2: A 118 TYR OH : rot 37:sc= 1.04 USER MOD Set 2.1: A 83 SER OG : rot 80:sc= 1.36 USER MOD Set 2.2: A 96 TYR OH : rot -2:sc= 1.08 USER MOD Set 2.3: A 119 TYR OH : rot -96:sc= 0.958 USER MOD Set 3.1: A 71 LYS NZ :NH3+ 174:sc=-0.00755 (180deg=-0.0568) USER MOD Set 3.2: A 73 SER OG : rot -170:sc= -0.16 USER MOD Set 4.1: A 48 ASN :FLIP amide:sc= -1.33 F(o=-2.9!,f=-1.5) USER MOD Set 4.2: A 50 HIS :FLIP no HD1:sc= -0.14 F(o=-2.1,f=-1.5) USER MOD Set 5.1: A 40 TYR OH : rot 150:sc= 0.539 USER MOD Set 5.2: A 110 THR OG1 : rot 56:sc= 0.995 USER MOD Set 6.1: A 38 SER OG : rot -56:sc= 0.526 USER MOD Set 6.2: A 39 HIS : no HD1:sc= 0.377 K(o=0.9,f=-0.039) USER MOD Single : A 8 GLN :FLIP amide:sc= 1.08 F(o=0,f=1.1) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.224) USER MOD Single : A 14 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.77) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -0.0585 (180deg=-0.0585) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.145 F(o=-1.7!,f=-0.14) USER MOD Single : A 24 ASN : amide:sc= -0.896 K(o=-0.9,f=-7.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0375 F(o=-1.5!,f=-0.038) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 89:sc= 1.26 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00225 (180deg=-0.108) USER MOD Single : A 35 HIS : no HE2:sc= -0.41 K(o=-0.41,f=-0.94) USER MOD Single : A 36 ASN : amide:sc= -0.0718 K(o=-0.072,f=-3.4!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.147 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0289 (180deg=-0.221) USER MOD Single : A 55 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.23) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0632) USER MOD Single : A 77 HIS : no HD1:sc= -0.291 X(o=-0.29,f=0.062) USER MOD Single : A 81 THR OG1 : rot 75:sc= 1.05 USER MOD Single : A 82 THR OG1 : rot 99:sc= 1.12 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 85 LYS NZ :NH3+ 165:sc= -0.0459 (180deg=-0.283) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.2) USER MOD Single : A 88 SER OG : rot 90:sc= 1.27 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 99 ASN : amide:sc= -0.703 K(o=-0.7,f=-1.4!) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc=-0.00323 (180deg=-0.12) USER MOD Single : A 111 ASN : amide:sc= -1.56 K(o=-1.6,f=-7.4!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 115 GLN : amide:sc= -0.0285 K(o=-0.028,f=-1.4) USER MOD Single : A 120 TYR OH : rot 124:sc= 0.478 USER MOD Single : A 121 THR OG1 : rot 66:sc= 0.573 USER MOD Single : A 124 ASN : amide:sc= 0.905 K(o=0.9,f=-5.3!) USER MOD Single : A 125 SER OG : rot 110:sc= 0 USER MOD Single : A 129 THR OG1 : rot 141:sc= 0.336 USER MOD Single : A 131 SER OG : rot 22:sc= 0.71 USER MOD Single : A 133 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -6.222 14.705 -15.218 1.00 0.00 N ATOM 2 CA ASP A 7 -6.291 13.480 -14.436 1.00 0.00 C ATOM 3 C ASP A 7 -5.735 13.688 -13.042 1.00 0.00 C ATOM 4 O ASP A 7 -4.539 13.933 -12.879 1.00 0.00 O ATOM 5 CB ASP A 7 -5.498 12.349 -15.104 1.00 0.00 C ATOM 6 CG ASP A 7 -5.942 12.053 -16.519 1.00 0.00 C ATOM 7 OD1 ASP A 7 -6.987 11.398 -16.694 1.00 0.00 O ATOM 8 OD2 ASP A 7 -5.226 12.453 -17.462 1.00 0.00 O ATOM 0 HA ASP A 7 -7.344 13.206 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.441 12.613 -15.112 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.596 11.444 -14.504 1.00 0.00 H new ATOM 13 N GLN A 8 -6.589 13.564 -12.029 1.00 0.00 N ATOM 14 CA GLN A 8 -6.114 13.550 -10.648 1.00 0.00 C ATOM 15 C GLN A 8 -5.328 12.267 -10.406 1.00 0.00 C ATOM 16 O GLN A 8 -4.645 12.121 -9.398 1.00 0.00 O ATOM 17 CB GLN A 8 -7.274 13.659 -9.654 1.00 0.00 C ATOM 18 CG GLN A 8 -8.101 12.399 -9.558 1.00 0.00 C ATOM 19 CD GLN A 8 -9.398 12.612 -8.804 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.439 12.998 -9.521 1.00 0.00 O flip ATOM 21 NE2 GLN A 8 -9.462 12.441 -7.589 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.599 13.473 -12.135 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.470 14.415 -10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -6.877 13.900 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.919 14.487 -9.949 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.323 12.037 -10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.519 11.623 -9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.635 12.142 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.342 12.598 -7.098 1.00 0.00 H new ATOM 30 N VAL A 9 -5.432 11.344 -11.364 1.00 0.00 N ATOM 31 CA VAL A 9 -4.646 10.118 -11.364 1.00 0.00 C ATOM 32 C VAL A 9 -3.161 10.451 -11.256 1.00 0.00 C ATOM 33 O VAL A 9 -2.422 9.833 -10.492 1.00 0.00 O ATOM 34 CB VAL A 9 -4.896 9.305 -12.658 1.00 0.00 C ATOM 35 CG1 VAL A 9 -4.082 8.017 -12.669 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.382 9.009 -12.825 1.00 0.00 C ATOM 0 H VAL A 9 -6.065 11.429 -12.160 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.951 9.518 -10.507 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.568 9.910 -13.503 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.280 7.469 -13.590 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.020 8.257 -12.610 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.363 7.402 -11.814 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.539 8.437 -13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.736 8.432 -11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.935 9.946 -12.884 1.00 0.00 H new ATOM 46 N VAL A 10 -2.743 11.464 -12.009 1.00 0.00 N ATOM 47 CA VAL A 10 -1.365 11.924 -11.976 1.00 0.00 C ATOM 48 C VAL A 10 -1.038 12.489 -10.596 1.00 0.00 C ATOM 49 O VAL A 10 0.036 12.252 -10.054 1.00 0.00 O ATOM 50 CB VAL A 10 -1.110 13.002 -13.050 1.00 0.00 C ATOM 51 CG1 VAL A 10 0.355 13.415 -13.070 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.552 12.507 -14.420 1.00 0.00 C ATOM 0 H VAL A 10 -3.344 11.981 -12.651 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.720 11.071 -12.186 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.702 13.881 -12.796 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.508 14.176 -13.836 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.632 13.819 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.975 12.546 -13.292 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.364 13.281 -15.164 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.992 11.609 -14.681 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.617 12.276 -14.397 1.00 0.00 H new ATOM 62 N ILE A 11 -2.002 13.212 -10.032 1.00 0.00 N ATOM 63 CA ILE A 11 -1.864 13.802 -8.704 1.00 0.00 C ATOM 64 C ILE A 11 -1.641 12.716 -7.648 1.00 0.00 C ATOM 65 O ILE A 11 -0.665 12.755 -6.898 1.00 0.00 O ATOM 66 CB ILE A 11 -3.112 14.657 -8.333 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.078 16.021 -9.043 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.212 14.859 -6.826 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.266 15.954 -10.545 1.00 0.00 C ATOM 0 H ILE A 11 -2.897 13.405 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.993 14.457 -8.725 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.993 14.110 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.857 16.656 -8.620 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.124 16.503 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.093 15.459 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.295 13.890 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.320 15.372 -6.468 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.228 16.960 -10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.473 15.349 -10.984 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.233 15.504 -10.771 1.00 0.00 H new ATOM 81 N PHE A 12 -2.538 11.738 -7.613 1.00 0.00 N ATOM 82 CA PHE A 12 -2.457 10.658 -6.638 1.00 0.00 C ATOM 83 C PHE A 12 -1.180 9.846 -6.817 1.00 0.00 C ATOM 84 O PHE A 12 -0.510 9.493 -5.842 1.00 0.00 O ATOM 85 CB PHE A 12 -3.676 9.740 -6.749 1.00 0.00 C ATOM 86 CG PHE A 12 -4.936 10.302 -6.152 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.499 11.468 -6.639 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.566 9.645 -5.109 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.663 11.971 -6.099 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.733 10.145 -4.563 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.280 11.309 -5.060 1.00 0.00 C ATOM 0 H PHE A 12 -3.332 11.671 -8.250 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.441 11.110 -5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.854 9.520 -7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.448 8.793 -6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.020 11.991 -7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.141 8.732 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.091 12.883 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.216 9.625 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.192 11.702 -4.635 1.00 0.00 H new ATOM 101 N LYS A 13 -0.829 9.558 -8.066 1.00 0.00 N ATOM 102 CA LYS A 13 0.343 8.740 -8.335 1.00 0.00 C ATOM 103 C LYS A 13 1.617 9.482 -7.941 1.00 0.00 C ATOM 104 O LYS A 13 2.556 8.875 -7.429 1.00 0.00 O ATOM 105 CB LYS A 13 0.415 8.327 -9.805 1.00 0.00 C ATOM 106 CG LYS A 13 1.292 7.107 -10.024 1.00 0.00 C ATOM 107 CD LYS A 13 1.695 6.948 -11.479 1.00 0.00 C ATOM 108 CE LYS A 13 2.453 5.649 -11.708 1.00 0.00 C ATOM 109 NZ LYS A 13 3.539 5.445 -10.711 1.00 0.00 N ATOM 0 H LYS A 13 -1.332 9.874 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 13 0.255 7.836 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.591 8.118 -10.170 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.801 9.159 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.187 7.189 -9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.759 6.214 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.805 6.967 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.317 7.791 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.757 4.812 -11.660 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.880 5.652 -12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.236 4.773 -11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.005 6.354 -10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.135 5.066 -9.831 1.00 0.00 H new ATOM 123 N GLN A 14 1.640 10.801 -8.171 1.00 0.00 N ATOM 124 CA GLN A 14 2.775 11.634 -7.766 1.00 0.00 C ATOM 125 C GLN A 14 3.046 11.491 -6.276 1.00 0.00 C ATOM 126 O GLN A 14 4.198 11.523 -5.843 1.00 0.00 O ATOM 127 CB GLN A 14 2.533 13.112 -8.102 1.00 0.00 C ATOM 128 CG GLN A 14 2.906 13.494 -9.525 1.00 0.00 C ATOM 129 CD GLN A 14 2.701 14.973 -9.801 1.00 0.00 C ATOM 130 OE1 GLN A 14 2.786 15.809 -8.899 1.00 0.00 O ATOM 131 NE2 GLN A 14 2.465 15.311 -11.058 1.00 0.00 N ATOM 0 H GLN A 14 0.888 11.311 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 14 3.645 11.288 -8.324 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.480 13.343 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.105 13.729 -7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.949 13.235 -9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.307 12.910 -10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.402 14.590 -11.777 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.346 16.293 -11.309 1.00 0.00 H new ATOM 140 N ILE A 15 1.978 11.336 -5.502 1.00 0.00 N ATOM 141 CA ILE A 15 2.092 11.116 -4.064 1.00 0.00 C ATOM 142 C ILE A 15 2.864 9.827 -3.779 1.00 0.00 C ATOM 143 O ILE A 15 3.822 9.819 -3.002 1.00 0.00 O ATOM 144 CB ILE A 15 0.701 11.034 -3.395 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.142 12.255 -3.774 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.841 10.934 -1.881 1.00 0.00 C ATOM 147 CD1 ILE A 15 -1.580 12.168 -3.315 1.00 0.00 C ATOM 0 H ILE A 15 1.019 11.359 -5.848 1.00 0.00 H new ATOM 0 HA ILE A 15 2.632 11.966 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 15 0.196 10.137 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.314 13.147 -3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.122 12.377 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.148 10.877 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.409 10.039 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.363 11.814 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.114 13.068 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.053 11.295 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.611 12.078 -2.229 1.00 0.00 H new ATOM 159 N PHE A 16 2.456 8.745 -4.436 1.00 0.00 N ATOM 160 CA PHE A 16 3.099 7.445 -4.247 1.00 0.00 C ATOM 161 C PHE A 16 4.516 7.435 -4.822 1.00 0.00 C ATOM 162 O PHE A 16 5.433 6.868 -4.223 1.00 0.00 O ATOM 163 CB PHE A 16 2.263 6.331 -4.885 1.00 0.00 C ATOM 164 CG PHE A 16 0.984 6.036 -4.146 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.182 6.724 -4.441 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.954 5.069 -3.154 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.354 6.451 -3.761 1.00 0.00 C ATOM 168 CE2 PHE A 16 -0.215 4.793 -2.469 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.370 5.485 -2.774 1.00 0.00 C ATOM 0 H PHE A 16 1.685 8.741 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 16 3.167 7.264 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.023 6.611 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.862 5.422 -4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.175 7.482 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.855 4.524 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.257 6.993 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.224 4.038 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.285 5.271 -2.241 1.00 0.00 H new ATOM 179 N ASP A 17 4.695 8.068 -5.976 1.00 0.00 N ATOM 180 CA ASP A 17 6.011 8.159 -6.603 1.00 0.00 C ATOM 181 C ASP A 17 6.971 8.986 -5.753 1.00 0.00 C ATOM 182 O ASP A 17 8.181 8.771 -5.778 1.00 0.00 O ATOM 183 CB ASP A 17 5.915 8.758 -8.012 1.00 0.00 C ATOM 184 CG ASP A 17 5.631 7.713 -9.074 1.00 0.00 C ATOM 185 OD1 ASP A 17 6.578 7.007 -9.480 1.00 0.00 O ATOM 186 OD2 ASP A 17 4.470 7.587 -9.506 1.00 0.00 O ATOM 0 H ASP A 17 3.947 8.526 -6.497 1.00 0.00 H new ATOM 0 HA ASP A 17 6.401 7.144 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.127 9.511 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.849 9.268 -8.250 1.00 0.00 H new ATOM 191 N LYS A 18 6.425 9.926 -4.997 1.00 0.00 N ATOM 192 CA LYS A 18 7.224 10.766 -4.115 1.00 0.00 C ATOM 193 C LYS A 18 7.719 9.960 -2.917 1.00 0.00 C ATOM 194 O LYS A 18 8.910 9.948 -2.609 1.00 0.00 O ATOM 195 CB LYS A 18 6.387 11.955 -3.632 1.00 0.00 C ATOM 196 CG LYS A 18 7.164 12.997 -2.840 1.00 0.00 C ATOM 197 CD LYS A 18 8.102 13.800 -3.728 1.00 0.00 C ATOM 198 CE LYS A 18 8.717 14.966 -2.970 1.00 0.00 C ATOM 199 NZ LYS A 18 9.655 14.520 -1.906 1.00 0.00 N ATOM 0 H LYS A 18 5.425 10.128 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 18 8.087 11.134 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.934 12.439 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.572 11.581 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.466 13.672 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.739 12.503 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.893 13.152 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.555 14.174 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.247 15.612 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.923 15.564 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.047 15.351 -1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.146 13.925 -1.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.429 13.971 -2.333 1.00 0.00 H new ATOM 213 N VAL A 19 6.797 9.256 -2.273 1.00 0.00 N ATOM 214 CA VAL A 19 7.095 8.573 -1.020 1.00 0.00 C ATOM 215 C VAL A 19 7.948 7.318 -1.231 1.00 0.00 C ATOM 216 O VAL A 19 8.655 6.890 -0.322 1.00 0.00 O ATOM 217 CB VAL A 19 5.798 8.205 -0.259 1.00 0.00 C ATOM 218 CG1 VAL A 19 5.005 7.138 -0.998 1.00 0.00 C ATOM 219 CG2 VAL A 19 6.111 7.762 1.164 1.00 0.00 C ATOM 0 H VAL A 19 5.837 9.143 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 19 7.673 9.274 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 19 5.179 9.101 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.101 6.903 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.733 7.507 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.613 6.239 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.184 7.509 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.762 6.888 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.611 8.572 1.695 1.00 0.00 H new ATOM 229 N ARG A 20 7.907 6.738 -2.426 1.00 0.00 N ATOM 230 CA ARG A 20 8.647 5.502 -2.676 1.00 0.00 C ATOM 231 C ARG A 20 10.156 5.731 -2.646 1.00 0.00 C ATOM 232 O ARG A 20 10.917 4.815 -2.335 1.00 0.00 O ATOM 233 CB ARG A 20 8.236 4.845 -4.002 1.00 0.00 C ATOM 234 CG ARG A 20 8.459 5.708 -5.232 1.00 0.00 C ATOM 235 CD ARG A 20 8.217 4.922 -6.512 1.00 0.00 C ATOM 236 NE ARG A 20 8.296 5.767 -7.702 1.00 0.00 N ATOM 237 CZ ARG A 20 9.348 5.824 -8.519 1.00 0.00 C ATOM 238 NH1 ARG A 20 10.429 5.097 -8.272 1.00 0.00 N ATOM 239 NH2 ARG A 20 9.299 6.609 -9.590 1.00 0.00 N ATOM 0 H ARG A 20 7.381 7.094 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 20 8.389 4.819 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.794 3.916 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.181 4.578 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.792 6.569 -5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.478 6.094 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.951 4.120 -6.588 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.235 4.451 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 20 7.491 6.353 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.459 4.490 -7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.231 5.145 -8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.462 7.160 -9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.098 6.660 -10.222 1.00 0.00 H new ATOM 253 N ASN A 21 10.588 6.948 -2.950 1.00 0.00 N ATOM 254 CA ASN A 21 12.011 7.257 -2.954 1.00 0.00 C ATOM 255 C ASN A 21 12.382 8.241 -1.852 1.00 0.00 C ATOM 256 O ASN A 21 13.391 8.063 -1.172 1.00 0.00 O ATOM 257 CB ASN A 21 12.456 7.799 -4.317 1.00 0.00 C ATOM 258 CG ASN A 21 12.659 6.701 -5.350 1.00 0.00 C ATOM 259 OD1 ASN A 21 13.067 5.523 -4.900 1.00 0.00 O flip ATOM 260 ND2 ASN A 21 12.467 6.913 -6.547 1.00 0.00 N flip ATOM 0 H ASN A 21 9.980 7.730 -3.195 1.00 0.00 H new ATOM 0 HA ASN A 21 12.537 6.322 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.710 8.503 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.386 8.354 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.153 7.832 -6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.622 6.170 -7.228 1.00 0.00 H new ATOM 267 N ASP A 22 11.564 9.270 -1.659 1.00 0.00 N ATOM 268 CA ASP A 22 11.872 10.302 -0.665 1.00 0.00 C ATOM 269 C ASP A 22 11.440 9.869 0.731 1.00 0.00 C ATOM 270 O ASP A 22 12.012 10.307 1.730 1.00 0.00 O ATOM 271 CB ASP A 22 11.201 11.623 -1.039 1.00 0.00 C ATOM 272 CG ASP A 22 11.608 12.760 -0.123 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.768 13.205 -0.205 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.761 13.233 0.662 1.00 0.00 O ATOM 0 H ASP A 22 10.692 9.415 -2.169 1.00 0.00 H new ATOM 0 HA ASP A 22 12.952 10.445 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.458 11.879 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.119 11.500 -1.002 1.00 0.00 H new ATOM 279 N LEU A 23 10.427 9.003 0.783 1.00 0.00 N ATOM 280 CA LEU A 23 9.918 8.454 2.043 1.00 0.00 C ATOM 281 C LEU A 23 9.317 9.539 2.934 1.00 0.00 C ATOM 282 O LEU A 23 9.318 9.423 4.163 1.00 0.00 O ATOM 283 CB LEU A 23 11.028 7.708 2.793 1.00 0.00 C ATOM 284 CG LEU A 23 11.515 6.424 2.123 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.675 5.832 2.902 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.378 5.419 2.018 1.00 0.00 C ATOM 0 H LEU A 23 9.937 8.662 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 23 9.123 7.752 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.877 8.380 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.669 7.464 3.793 1.00 0.00 H new ATOM 0 HG LEU A 23 11.859 6.664 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.012 4.918 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.495 6.549 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.352 5.603 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.740 4.509 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.009 5.181 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.569 5.845 1.424 1.00 0.00 H new ATOM 298 N ASN A 24 8.777 10.582 2.316 1.00 0.00 N ATOM 299 CA ASN A 24 8.141 11.659 3.061 1.00 0.00 C ATOM 300 C ASN A 24 6.721 11.271 3.468 1.00 0.00 C ATOM 301 O ASN A 24 5.735 11.708 2.871 1.00 0.00 O ATOM 302 CB ASN A 24 8.135 12.974 2.266 1.00 0.00 C ATOM 303 CG ASN A 24 7.461 12.872 0.906 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.528 11.846 0.229 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.803 13.948 0.497 1.00 0.00 N ATOM 0 H ASN A 24 8.767 10.704 1.303 1.00 0.00 H new ATOM 0 HA ASN A 24 8.729 11.822 3.964 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.629 13.740 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.164 13.307 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.330 13.944 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.770 14.780 1.086 1.00 0.00 H new ATOM 312 N TYR A 25 6.625 10.436 4.495 1.00 0.00 N ATOM 313 CA TYR A 25 5.332 9.988 5.004 1.00 0.00 C ATOM 314 C TYR A 25 4.532 11.159 5.564 1.00 0.00 C ATOM 315 O TYR A 25 3.307 11.095 5.658 1.00 0.00 O ATOM 316 CB TYR A 25 5.522 8.912 6.074 1.00 0.00 C ATOM 317 CG TYR A 25 6.077 7.614 5.532 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.292 6.775 4.751 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.383 7.223 5.802 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.788 5.586 4.256 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.889 6.033 5.309 1.00 0.00 C ATOM 322 CZ TYR A 25 7.086 5.218 4.536 1.00 0.00 C ATOM 323 OH TYR A 25 7.580 4.031 4.045 1.00 0.00 O ATOM 0 H TYR A 25 7.428 10.054 4.994 1.00 0.00 H new ATOM 0 HA TYR A 25 4.771 9.559 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.193 9.291 6.844 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.564 8.716 6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.274 7.059 4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.013 7.858 6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.161 4.947 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.906 5.743 5.528 1.00 0.00 H new ATOM 0 HH TYR A 25 8.511 3.920 4.332 1.00 0.00 H new ATOM 333 N GLN A 26 5.240 12.231 5.918 1.00 0.00 N ATOM 334 CA GLN A 26 4.612 13.451 6.418 1.00 0.00 C ATOM 335 C GLN A 26 3.568 13.963 5.430 1.00 0.00 C ATOM 336 O GLN A 26 2.434 14.255 5.807 1.00 0.00 O ATOM 337 CB GLN A 26 5.671 14.532 6.647 1.00 0.00 C ATOM 338 CG GLN A 26 6.735 14.135 7.657 1.00 0.00 C ATOM 339 CD GLN A 26 7.872 15.136 7.736 1.00 0.00 C ATOM 340 OE1 GLN A 26 8.165 15.791 6.622 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 8.487 15.312 8.786 1.00 0.00 N flip ATOM 0 H GLN A 26 6.258 12.278 5.867 1.00 0.00 H new ATOM 0 HA GLN A 26 4.120 13.219 7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.152 14.765 5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.180 15.444 6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.276 14.034 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.136 13.157 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.230 14.787 9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.255 15.983 8.821 1.00 0.00 H new ATOM 350 N TRP A 27 3.955 14.055 4.166 1.00 0.00 N ATOM 351 CA TRP A 27 3.060 14.534 3.123 1.00 0.00 C ATOM 352 C TRP A 27 2.190 13.395 2.608 1.00 0.00 C ATOM 353 O TRP A 27 1.014 13.589 2.295 1.00 0.00 O ATOM 354 CB TRP A 27 3.872 15.155 1.983 1.00 0.00 C ATOM 355 CG TRP A 27 3.038 15.679 0.855 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.147 16.715 0.904 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.028 15.203 -0.494 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.579 16.904 -0.332 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.102 15.989 -1.205 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.709 14.186 -1.169 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.844 15.790 -2.559 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.450 13.990 -2.511 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.524 14.789 -3.193 1.00 0.00 C ATOM 0 H TRP A 27 4.887 13.803 3.837 1.00 0.00 H new ATOM 0 HA TRP A 27 2.406 15.299 3.540 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.476 15.969 2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.563 14.407 1.593 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.923 17.299 1.785 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.881 17.611 -0.562 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.424 13.565 -0.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.132 16.405 -3.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.970 13.208 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.344 14.610 -4.243 1.00 0.00 H new ATOM 374 N PHE A 28 2.775 12.206 2.549 1.00 0.00 N ATOM 375 CA PHE A 28 2.082 11.014 2.072 1.00 0.00 C ATOM 376 C PHE A 28 0.768 10.791 2.823 1.00 0.00 C ATOM 377 O PHE A 28 -0.299 10.720 2.213 1.00 0.00 O ATOM 378 CB PHE A 28 2.993 9.792 2.227 1.00 0.00 C ATOM 379 CG PHE A 28 2.384 8.500 1.751 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.965 8.356 0.438 1.00 0.00 C ATOM 381 CD2 PHE A 28 2.240 7.427 2.618 1.00 0.00 C ATOM 382 CE1 PHE A 28 1.412 7.167 -0.002 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.689 6.235 2.183 1.00 0.00 C ATOM 384 CZ PHE A 28 1.276 6.106 0.872 1.00 0.00 C ATOM 0 H PHE A 28 3.741 12.040 2.830 1.00 0.00 H new ATOM 0 HA PHE A 28 1.841 11.159 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.916 9.970 1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.264 9.687 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.071 9.182 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.562 7.523 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.087 7.068 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.582 5.407 2.868 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.847 5.176 0.530 1.00 0.00 H new ATOM 394 N TYR A 29 0.845 10.707 4.149 1.00 0.00 N ATOM 395 CA TYR A 29 -0.335 10.432 4.965 1.00 0.00 C ATOM 396 C TYR A 29 -1.307 11.609 4.961 1.00 0.00 C ATOM 397 O TYR A 29 -2.513 11.421 5.115 1.00 0.00 O ATOM 398 CB TYR A 29 0.063 10.081 6.401 1.00 0.00 C ATOM 399 CG TYR A 29 0.593 8.673 6.557 1.00 0.00 C ATOM 400 CD1 TYR A 29 -0.279 7.594 6.627 1.00 0.00 C ATOM 401 CD2 TYR A 29 1.955 8.423 6.645 1.00 0.00 C ATOM 402 CE1 TYR A 29 0.192 6.304 6.779 1.00 0.00 C ATOM 403 CE2 TYR A 29 2.435 7.136 6.795 1.00 0.00 C ATOM 404 CZ TYR A 29 1.550 6.080 6.862 1.00 0.00 C ATOM 405 OH TYR A 29 2.025 4.796 7.013 1.00 0.00 O ATOM 0 H TYR A 29 1.708 10.825 4.680 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.841 9.574 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.822 10.785 6.741 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.803 10.208 7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.343 7.766 6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.651 9.247 6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.499 5.476 6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.498 6.958 6.859 1.00 0.00 H new ATOM 0 HH TYR A 29 3.004 4.812 7.054 1.00 0.00 H new ATOM 415 N SER A 30 -0.788 12.814 4.768 1.00 0.00 N ATOM 416 CA SER A 30 -1.631 14.002 4.737 1.00 0.00 C ATOM 417 C SER A 30 -2.576 13.961 3.543 1.00 0.00 C ATOM 418 O SER A 30 -3.776 14.208 3.681 1.00 0.00 O ATOM 419 CB SER A 30 -0.773 15.267 4.687 1.00 0.00 C ATOM 420 OG SER A 30 0.053 15.366 5.837 1.00 0.00 O ATOM 0 H SER A 30 0.207 12.995 4.631 1.00 0.00 H new ATOM 0 HA SER A 30 -2.227 14.019 5.650 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.154 15.256 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.416 16.145 4.620 1.00 0.00 H new ATOM 0 HG SER A 30 0.901 14.904 5.671 1.00 0.00 H new ATOM 426 N GLU A 31 -2.041 13.618 2.381 1.00 0.00 N ATOM 427 CA GLU A 31 -2.839 13.573 1.166 1.00 0.00 C ATOM 428 C GLU A 31 -3.769 12.372 1.155 1.00 0.00 C ATOM 429 O GLU A 31 -4.833 12.414 0.534 1.00 0.00 O ATOM 430 CB GLU A 31 -1.945 13.582 -0.070 1.00 0.00 C ATOM 431 CG GLU A 31 -1.220 14.900 -0.256 1.00 0.00 C ATOM 432 CD GLU A 31 -2.180 16.075 -0.271 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.610 16.513 0.815 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.534 16.545 -1.368 1.00 0.00 O ATOM 0 H GLU A 31 -1.060 13.367 2.254 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.460 14.469 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.214 12.778 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.550 13.377 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.496 15.033 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.659 14.877 -1.190 1.00 0.00 H new ATOM 441 N LEU A 32 -3.380 11.309 1.846 1.00 0.00 N ATOM 442 CA LEU A 32 -4.262 10.164 2.020 1.00 0.00 C ATOM 443 C LEU A 32 -5.456 10.573 2.868 1.00 0.00 C ATOM 444 O LEU A 32 -6.589 10.193 2.599 1.00 0.00 O ATOM 445 CB LEU A 32 -3.527 9.001 2.697 1.00 0.00 C ATOM 446 CG LEU A 32 -2.303 8.464 1.954 1.00 0.00 C ATOM 447 CD1 LEU A 32 -1.694 7.298 2.716 1.00 0.00 C ATOM 448 CD2 LEU A 32 -2.671 8.043 0.540 1.00 0.00 C ATOM 0 H LEU A 32 -2.467 11.216 2.292 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.597 9.832 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.213 9.323 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.233 8.182 2.836 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.564 9.262 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.824 6.925 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.390 7.631 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.431 6.501 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.785 7.664 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.429 7.261 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.063 8.902 -0.005 1.00 0.00 H new ATOM 460 N LYS A 33 -5.181 11.386 3.879 1.00 0.00 N ATOM 461 CA LYS A 33 -6.193 11.833 4.824 1.00 0.00 C ATOM 462 C LYS A 33 -7.088 12.920 4.213 1.00 0.00 C ATOM 463 O LYS A 33 -8.158 13.221 4.739 1.00 0.00 O ATOM 464 CB LYS A 33 -5.494 12.338 6.091 1.00 0.00 C ATOM 465 CG LYS A 33 -6.409 12.597 7.277 1.00 0.00 C ATOM 466 CD LYS A 33 -5.592 12.797 8.545 1.00 0.00 C ATOM 467 CE LYS A 33 -6.458 13.160 9.743 1.00 0.00 C ATOM 468 NZ LYS A 33 -7.100 14.489 9.584 1.00 0.00 N ATOM 0 H LYS A 33 -4.248 11.754 4.066 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.844 10.996 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.741 11.608 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.966 13.261 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.019 13.480 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.093 11.758 7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.038 11.884 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.857 13.585 8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.227 12.400 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.847 13.158 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.540 14.772 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.382 15.191 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.829 14.436 8.844 1.00 0.00 H new ATOM 482 N ARG A 34 -6.649 13.506 3.101 1.00 0.00 N ATOM 483 CA ARG A 34 -7.449 14.514 2.406 1.00 0.00 C ATOM 484 C ARG A 34 -8.235 13.913 1.242 1.00 0.00 C ATOM 485 O ARG A 34 -9.321 14.386 0.915 1.00 0.00 O ATOM 486 CB ARG A 34 -6.582 15.664 1.876 1.00 0.00 C ATOM 487 CG ARG A 34 -5.998 16.562 2.955 1.00 0.00 C ATOM 488 CD ARG A 34 -5.701 17.960 2.418 1.00 0.00 C ATOM 489 NE ARG A 34 -4.800 17.946 1.263 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.851 18.827 0.260 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.786 19.771 0.239 1.00 0.00 N ATOM 492 NH2 ARG A 34 -3.975 18.750 -0.733 1.00 0.00 N ATOM 0 H ARG A 34 -5.750 13.303 2.664 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.148 14.904 3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.765 15.245 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.182 16.273 1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.696 16.632 3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.081 16.118 3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.637 18.442 2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.258 18.562 3.211 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.088 17.217 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.471 19.827 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.818 20.440 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.264 18.019 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.013 19.422 -1.500 1.00 0.00 H new ATOM 506 N HIS A 35 -7.689 12.885 0.605 1.00 0.00 N ATOM 507 CA HIS A 35 -8.293 12.354 -0.619 1.00 0.00 C ATOM 508 C HIS A 35 -8.829 10.938 -0.430 1.00 0.00 C ATOM 509 O HIS A 35 -9.961 10.637 -0.813 1.00 0.00 O ATOM 510 CB HIS A 35 -7.277 12.361 -1.764 1.00 0.00 C ATOM 511 CG HIS A 35 -6.756 13.723 -2.115 1.00 0.00 C ATOM 512 ND1 HIS A 35 -5.524 14.189 -1.706 1.00 0.00 N ATOM 513 CD2 HIS A 35 -7.301 14.713 -2.859 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.335 15.407 -2.183 1.00 0.00 C ATOM 515 NE2 HIS A 35 -6.398 15.745 -2.886 1.00 0.00 N ATOM 0 H HIS A 35 -6.841 12.405 0.907 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.133 13.004 -0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.437 11.722 -1.493 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.740 11.922 -2.648 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.862 13.674 -1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.267 14.694 -3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.460 16.020 -2.024 1.00 0.00 H new ATOM 524 N ASN A 36 -8.022 10.083 0.178 1.00 0.00 N ATOM 525 CA ASN A 36 -8.347 8.664 0.307 1.00 0.00 C ATOM 526 C ASN A 36 -9.232 8.427 1.521 1.00 0.00 C ATOM 527 O ASN A 36 -8.999 7.504 2.295 1.00 0.00 O ATOM 528 CB ASN A 36 -7.066 7.825 0.439 1.00 0.00 C ATOM 529 CG ASN A 36 -6.142 7.945 -0.758 1.00 0.00 C ATOM 530 OD1 ASN A 36 -6.071 8.982 -1.416 1.00 0.00 O ATOM 531 ND2 ASN A 36 -5.417 6.878 -1.043 1.00 0.00 N ATOM 0 H ASN A 36 -7.129 10.346 0.594 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.883 8.360 -0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.529 8.134 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.338 6.778 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.771 6.896 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.503 6.036 -0.474 1.00 0.00 H new ATOM 538 N VAL A 37 -10.269 9.247 1.650 1.00 0.00 N ATOM 539 CA VAL A 37 -11.143 9.241 2.821 1.00 0.00 C ATOM 540 C VAL A 37 -11.774 7.866 3.061 1.00 0.00 C ATOM 541 O VAL A 37 -12.145 7.533 4.186 1.00 0.00 O ATOM 542 CB VAL A 37 -12.258 10.303 2.683 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.039 10.451 3.980 1.00 0.00 C ATOM 544 CG2 VAL A 37 -11.676 11.643 2.258 1.00 0.00 C ATOM 0 H VAL A 37 -10.529 9.937 0.945 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.517 9.483 3.680 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.947 9.963 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.816 11.205 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.498 9.497 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.363 10.758 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.478 12.376 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.958 11.982 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.174 11.533 1.297 1.00 0.00 H new ATOM 554 N SER A 38 -11.895 7.070 2.008 1.00 0.00 N ATOM 555 CA SER A 38 -12.453 5.738 2.142 1.00 0.00 C ATOM 556 C SER A 38 -11.340 4.694 2.266 1.00 0.00 C ATOM 557 O SER A 38 -10.957 4.319 3.374 1.00 0.00 O ATOM 558 CB SER A 38 -13.379 5.418 0.964 1.00 0.00 C ATOM 559 OG SER A 38 -14.124 4.236 1.195 1.00 0.00 O ATOM 0 H SER A 38 -11.616 7.323 1.060 1.00 0.00 H new ATOM 0 HA SER A 38 -13.047 5.706 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.061 6.252 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.788 5.305 0.055 1.00 0.00 H new ATOM 0 HG SER A 38 -13.511 3.495 1.383 1.00 0.00 H new ATOM 565 N HIS A 39 -10.801 4.239 1.137 1.00 0.00 N ATOM 566 CA HIS A 39 -9.775 3.197 1.145 1.00 0.00 C ATOM 567 C HIS A 39 -9.194 2.988 -0.248 1.00 0.00 C ATOM 568 O HIS A 39 -9.880 3.195 -1.245 1.00 0.00 O ATOM 569 CB HIS A 39 -10.351 1.870 1.674 1.00 0.00 C ATOM 570 CG HIS A 39 -11.626 1.423 1.012 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.856 1.486 1.630 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.855 0.890 -0.212 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.781 1.012 0.818 1.00 0.00 C ATOM 574 NE2 HIS A 39 -13.201 0.645 -0.305 1.00 0.00 N ATOM 0 H HIS A 39 -11.056 4.574 0.208 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.976 3.527 1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.601 1.089 1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.530 1.970 2.744 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.115 0.694 -0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.836 0.938 1.037 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.676 0.243 -1.114 1.00 0.00 H new ATOM 583 N TYR A 40 -7.936 2.570 -0.318 1.00 0.00 N ATOM 584 CA TYR A 40 -7.325 2.262 -1.601 1.00 0.00 C ATOM 585 C TYR A 40 -6.793 0.833 -1.610 1.00 0.00 C ATOM 586 O TYR A 40 -6.229 0.358 -0.620 1.00 0.00 O ATOM 587 CB TYR A 40 -6.214 3.266 -1.959 1.00 0.00 C ATOM 588 CG TYR A 40 -4.938 3.158 -1.149 1.00 0.00 C ATOM 589 CD1 TYR A 40 -3.904 2.325 -1.561 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.754 3.905 0.005 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.727 2.239 -0.847 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.579 3.823 0.729 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.569 2.989 0.298 1.00 0.00 C ATOM 594 OH TYR A 40 -1.392 2.906 1.010 1.00 0.00 O ATOM 0 H TYR A 40 -7.327 2.438 0.489 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.097 2.349 -2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.964 3.141 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.611 4.274 -1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.025 1.734 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.542 4.562 0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.934 1.588 -1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.453 4.409 1.627 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.219 3.761 1.457 1.00 0.00 H new ATOM 604 N ILE A 41 -7.007 0.149 -2.723 1.00 0.00 N ATOM 605 CA ILE A 41 -6.578 -1.231 -2.880 1.00 0.00 C ATOM 606 C ILE A 41 -5.376 -1.306 -3.814 1.00 0.00 C ATOM 607 O ILE A 41 -5.470 -0.962 -4.992 1.00 0.00 O ATOM 608 CB ILE A 41 -7.709 -2.135 -3.432 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.909 -2.185 -2.477 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.190 -3.538 -3.686 1.00 0.00 C ATOM 611 CD1 ILE A 41 -9.827 -0.986 -2.565 1.00 0.00 C ATOM 0 H ILE A 41 -7.481 0.534 -3.540 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.306 -1.595 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.045 -1.701 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.486 -3.086 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.541 -2.272 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.997 -4.160 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.380 -3.500 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.820 -3.963 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.648 -1.103 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.268 -0.081 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.228 -0.908 -3.576 1.00 0.00 H new ATOM 623 N TYR A 42 -4.257 -1.747 -3.278 1.00 0.00 N ATOM 624 CA TYR A 42 -3.015 -1.832 -4.027 1.00 0.00 C ATOM 625 C TYR A 42 -2.745 -3.282 -4.432 1.00 0.00 C ATOM 626 O TYR A 42 -2.548 -4.141 -3.573 1.00 0.00 O ATOM 627 CB TYR A 42 -1.867 -1.314 -3.150 1.00 0.00 C ATOM 628 CG TYR A 42 -0.645 -0.831 -3.907 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.004 -1.628 -4.848 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.129 0.434 -3.659 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.115 -1.174 -5.522 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.987 0.895 -4.330 1.00 0.00 C ATOM 633 CZ TYR A 42 1.606 0.088 -5.260 1.00 0.00 C ATOM 634 OH TYR A 42 2.721 0.543 -5.922 1.00 0.00 O ATOM 0 H TYR A 42 -4.180 -2.058 -2.310 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.092 -1.226 -4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.241 -0.495 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.563 -2.110 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.385 -2.617 -5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.609 1.069 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.602 -1.805 -6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.373 1.883 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 42 2.933 1.451 -5.621 1.00 0.00 H new ATOM 644 N TYR A 43 -2.755 -3.558 -5.729 1.00 0.00 N ATOM 645 CA TYR A 43 -2.414 -4.891 -6.217 1.00 0.00 C ATOM 646 C TYR A 43 -0.942 -4.939 -6.604 1.00 0.00 C ATOM 647 O TYR A 43 -0.551 -4.417 -7.645 1.00 0.00 O ATOM 648 CB TYR A 43 -3.293 -5.282 -7.410 1.00 0.00 C ATOM 649 CG TYR A 43 -4.747 -5.499 -7.048 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.154 -6.669 -6.418 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.710 -4.540 -7.335 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.476 -6.878 -6.084 1.00 0.00 C ATOM 653 CE2 TYR A 43 -7.036 -4.742 -7.003 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.411 -5.911 -6.378 1.00 0.00 C ATOM 655 OH TYR A 43 -8.730 -6.114 -6.041 1.00 0.00 O ATOM 0 H TYR A 43 -2.993 -2.885 -6.458 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.597 -5.609 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.229 -4.502 -8.169 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.899 -6.195 -7.857 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.422 -7.428 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.418 -3.623 -7.825 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.775 -7.793 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.774 -3.988 -7.232 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.261 -5.338 -6.316 1.00 0.00 H new ATOM 665 N LEU A 44 -0.134 -5.579 -5.767 1.00 0.00 N ATOM 666 CA LEU A 44 1.324 -5.528 -5.892 1.00 0.00 C ATOM 667 C LEU A 44 1.838 -6.205 -7.165 1.00 0.00 C ATOM 668 O LEU A 44 2.903 -5.852 -7.666 1.00 0.00 O ATOM 669 CB LEU A 44 2.004 -6.161 -4.668 1.00 0.00 C ATOM 670 CG LEU A 44 1.925 -5.356 -3.364 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.544 -5.457 -2.737 1.00 0.00 C ATOM 672 CD2 LEU A 44 2.986 -5.832 -2.382 1.00 0.00 C ATOM 0 H LEU A 44 -0.465 -6.146 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 44 1.583 -4.471 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.558 -7.140 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.055 -6.327 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 44 2.110 -4.309 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.520 -4.876 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.200 -5.067 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.321 -6.500 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.917 -5.251 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.827 -6.887 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.974 -5.699 -2.822 1.00 0.00 H new ATOM 684 N ALA A 45 1.084 -7.166 -7.688 1.00 0.00 N ATOM 685 CA ALA A 45 1.525 -7.938 -8.850 1.00 0.00 C ATOM 686 C ALA A 45 1.305 -7.175 -10.157 1.00 0.00 C ATOM 687 O ALA A 45 1.825 -7.551 -11.207 1.00 0.00 O ATOM 688 CB ALA A 45 0.807 -9.281 -8.890 1.00 0.00 C ATOM 0 H ALA A 45 0.167 -7.430 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 45 2.597 -8.108 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.143 -9.847 -9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.032 -9.841 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.268 -9.117 -8.957 1.00 0.00 H new ATOM 694 N THR A 46 0.521 -6.114 -10.091 1.00 0.00 N ATOM 695 CA THR A 46 0.226 -5.313 -11.269 1.00 0.00 C ATOM 696 C THR A 46 0.605 -3.848 -11.038 1.00 0.00 C ATOM 697 O THR A 46 0.787 -3.075 -11.983 1.00 0.00 O ATOM 698 CB THR A 46 -1.273 -5.424 -11.615 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.650 -6.806 -11.676 1.00 0.00 O ATOM 700 CG2 THR A 46 -1.595 -4.752 -12.942 1.00 0.00 C ATOM 0 H THR A 46 0.076 -5.785 -9.234 1.00 0.00 H new ATOM 0 HA THR A 46 0.817 -5.692 -12.103 1.00 0.00 H new ATOM 0 HB THR A 46 -1.836 -4.914 -10.833 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.603 -6.876 -11.894 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.660 -4.851 -13.151 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.333 -3.695 -12.888 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.023 -5.227 -13.739 1.00 0.00 H new ATOM 708 N GLU A 47 0.735 -3.493 -9.762 1.00 0.00 N ATOM 709 CA GLU A 47 1.029 -2.132 -9.328 1.00 0.00 C ATOM 710 C GLU A 47 -0.106 -1.181 -9.710 1.00 0.00 C ATOM 711 O GLU A 47 0.105 0.013 -9.921 1.00 0.00 O ATOM 712 CB GLU A 47 2.373 -1.644 -9.880 1.00 0.00 C ATOM 713 CG GLU A 47 2.902 -0.415 -9.155 1.00 0.00 C ATOM 714 CD GLU A 47 4.309 -0.040 -9.553 1.00 0.00 C ATOM 715 OE1 GLU A 47 5.252 -0.735 -9.124 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.477 0.969 -10.269 1.00 0.00 O ATOM 0 H GLU A 47 0.637 -4.153 -8.990 1.00 0.00 H new ATOM 0 HA GLU A 47 1.109 -2.141 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.105 -2.448 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.263 -1.415 -10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.240 0.428 -9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.873 -0.596 -8.081 1.00 0.00 H new ATOM 723 N ASN A 48 -1.323 -1.705 -9.785 1.00 0.00 N ATOM 724 CA ASN A 48 -2.481 -0.846 -9.968 1.00 0.00 C ATOM 725 C ASN A 48 -3.079 -0.533 -8.606 1.00 0.00 C ATOM 726 O ASN A 48 -3.260 -1.424 -7.770 1.00 0.00 O ATOM 727 CB ASN A 48 -3.538 -1.451 -10.915 1.00 0.00 C ATOM 728 CG ASN A 48 -4.353 -2.582 -10.306 1.00 0.00 C ATOM 729 OD1 ASN A 48 -3.975 -3.813 -10.604 1.00 0.00 O flip ATOM 730 ND2 ASN A 48 -5.347 -2.346 -9.622 1.00 0.00 N flip ATOM 0 H ASN A 48 -1.530 -2.702 -9.723 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.148 0.073 -10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.217 -0.661 -11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.037 -1.821 -11.810 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.606 -1.382 -9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.913 -3.115 -9.263 1.00 0.00 H new ATOM 737 N VAL A 49 -3.332 0.741 -8.366 1.00 0.00 N ATOM 738 CA VAL A 49 -3.852 1.184 -7.087 1.00 0.00 C ATOM 739 C VAL A 49 -5.277 1.697 -7.249 1.00 0.00 C ATOM 740 O VAL A 49 -5.514 2.693 -7.923 1.00 0.00 O ATOM 741 CB VAL A 49 -2.979 2.305 -6.483 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.302 2.498 -5.013 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.497 2.015 -6.680 1.00 0.00 C ATOM 0 H VAL A 49 -3.185 1.489 -9.044 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.839 0.328 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.208 3.232 -7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.677 3.292 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.352 2.770 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.110 1.571 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.907 2.822 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.242 1.075 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.279 1.941 -7.745 1.00 0.00 H new ATOM 753 N HIS A 50 -6.222 1.004 -6.645 1.00 0.00 N ATOM 754 CA HIS A 50 -7.623 1.390 -6.724 1.00 0.00 C ATOM 755 C HIS A 50 -8.002 2.284 -5.551 1.00 0.00 C ATOM 756 O HIS A 50 -8.307 1.793 -4.468 1.00 0.00 O ATOM 757 CB HIS A 50 -8.528 0.154 -6.738 1.00 0.00 C ATOM 758 CG HIS A 50 -8.533 -0.589 -8.038 1.00 0.00 C ATOM 759 ND1 HIS A 50 -7.882 -0.354 -9.200 1.00 0.00 N flip ATOM 760 CD2 HIS A 50 -9.309 -1.706 -8.258 1.00 0.00 C flip ATOM 761 CE1 HIS A 50 -8.276 -1.321 -10.091 1.00 0.00 C flip ATOM 762 NE2 HIS A 50 -9.137 -2.122 -9.496 1.00 0.00 N flip ATOM 0 H HIS A 50 -6.047 0.166 -6.091 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.763 1.943 -7.653 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.210 -0.524 -5.946 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.547 0.461 -6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.958 -2.169 -7.529 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.936 -1.411 -11.112 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.593 -2.928 -9.922 1.00 0.00 H new ATOM 771 N ILE A 51 -7.967 3.595 -5.759 1.00 0.00 N ATOM 772 CA ILE A 51 -8.353 4.528 -4.712 1.00 0.00 C ATOM 773 C ILE A 51 -9.854 4.762 -4.750 1.00 0.00 C ATOM 774 O ILE A 51 -10.366 5.445 -5.634 1.00 0.00 O ATOM 775 CB ILE A 51 -7.634 5.901 -4.815 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.125 5.765 -4.600 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.209 6.883 -3.799 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.383 5.194 -5.783 1.00 0.00 C ATOM 0 H ILE A 51 -7.678 4.031 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.052 4.068 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.803 6.281 -5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.712 6.746 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.948 5.129 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.693 7.839 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.272 7.025 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.073 6.487 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.320 5.130 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.766 4.198 -6.006 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.526 5.840 -6.649 1.00 0.00 H new ATOM 790 N VAL A 52 -10.558 4.168 -3.808 1.00 0.00 N ATOM 791 CA VAL A 52 -11.976 4.415 -3.666 1.00 0.00 C ATOM 792 C VAL A 52 -12.169 5.686 -2.856 1.00 0.00 C ATOM 793 O VAL A 52 -11.753 5.766 -1.697 1.00 0.00 O ATOM 794 CB VAL A 52 -12.707 3.239 -2.981 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.200 3.516 -2.876 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.453 1.942 -3.738 1.00 0.00 C ATOM 0 H VAL A 52 -10.171 3.511 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.407 4.523 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.312 3.133 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.693 2.674 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.362 4.419 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.616 3.653 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.975 1.123 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.819 2.040 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.383 1.733 -3.754 1.00 0.00 H new ATOM 806 N LEU A 53 -12.759 6.690 -3.483 1.00 0.00 N ATOM 807 CA LEU A 53 -12.951 7.982 -2.844 1.00 0.00 C ATOM 808 C LEU A 53 -13.998 7.892 -1.740 1.00 0.00 C ATOM 809 O LEU A 53 -14.585 6.833 -1.527 1.00 0.00 O ATOM 810 CB LEU A 53 -13.351 9.040 -3.878 1.00 0.00 C ATOM 811 CG LEU A 53 -12.319 9.300 -4.979 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.802 10.389 -5.923 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.974 9.682 -4.374 1.00 0.00 C ATOM 0 H LEU A 53 -13.115 6.635 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.005 8.280 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.287 8.733 -4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.547 9.977 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.193 8.380 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.054 10.558 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.739 10.080 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.960 11.311 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.254 9.863 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.088 10.586 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.617 8.871 -3.740 1.00 0.00 H new ATOM 825 N LYS A 54 -14.232 9.023 -1.072 1.00 0.00 N ATOM 826 CA LYS A 54 -15.115 9.097 0.097 1.00 0.00 C ATOM 827 C LYS A 54 -16.391 8.279 -0.097 1.00 0.00 C ATOM 828 O LYS A 54 -16.704 7.403 0.709 1.00 0.00 O ATOM 829 CB LYS A 54 -15.472 10.560 0.369 1.00 0.00 C ATOM 830 CG LYS A 54 -16.257 10.779 1.651 1.00 0.00 C ATOM 831 CD LYS A 54 -16.652 12.236 1.807 1.00 0.00 C ATOM 832 CE LYS A 54 -17.381 12.482 3.117 1.00 0.00 C ATOM 833 NZ LYS A 54 -16.508 12.225 4.292 1.00 0.00 N ATOM 0 H LYS A 54 -13.814 9.918 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.582 8.674 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.553 11.145 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.053 10.943 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.151 10.155 1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.657 10.468 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.761 12.862 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.290 12.532 0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -17.737 13.512 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.260 11.840 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.949 12.623 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.382 11.200 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.581 12.672 4.140 1.00 0.00 H new ATOM 847 N ASN A 55 -17.116 8.574 -1.164 1.00 0.00 N ATOM 848 CA ASN A 55 -18.315 7.822 -1.517 1.00 0.00 C ATOM 849 C ASN A 55 -18.568 7.988 -3.011 1.00 0.00 C ATOM 850 O ASN A 55 -19.668 7.777 -3.514 1.00 0.00 O ATOM 851 CB ASN A 55 -19.509 8.319 -0.682 1.00 0.00 C ATOM 852 CG ASN A 55 -20.753 7.458 -0.830 1.00 0.00 C ATOM 853 OD1 ASN A 55 -20.885 6.421 -0.181 1.00 0.00 O ATOM 854 ND2 ASN A 55 -21.689 7.902 -1.653 1.00 0.00 N ATOM 0 H ASN A 55 -16.895 9.335 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.181 6.763 -1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.220 8.349 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.747 9.341 -0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -22.558 7.380 -1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.542 8.767 -2.174 1.00 0.00 H new ATOM 861 N ASP A 56 -17.507 8.332 -3.720 1.00 0.00 N ATOM 862 CA ASP A 56 -17.613 8.712 -5.118 1.00 0.00 C ATOM 863 C ASP A 56 -17.421 7.516 -6.037 1.00 0.00 C ATOM 864 O ASP A 56 -18.382 6.843 -6.408 1.00 0.00 O ATOM 865 CB ASP A 56 -16.589 9.798 -5.451 1.00 0.00 C ATOM 866 CG ASP A 56 -16.750 11.025 -4.583 1.00 0.00 C ATOM 867 OD1 ASP A 56 -16.237 11.020 -3.442 1.00 0.00 O ATOM 868 OD2 ASP A 56 -17.394 11.994 -5.031 1.00 0.00 O ATOM 0 H ASP A 56 -16.558 8.356 -3.348 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.617 9.103 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.583 9.397 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.691 10.081 -6.499 1.00 0.00 H new ATOM 873 N ASN A 57 -16.174 7.245 -6.387 1.00 0.00 N ATOM 874 CA ASN A 57 -15.851 6.186 -7.330 1.00 0.00 C ATOM 875 C ASN A 57 -14.434 5.693 -7.084 1.00 0.00 C ATOM 876 O ASN A 57 -13.815 6.050 -6.077 1.00 0.00 O ATOM 877 CB ASN A 57 -15.999 6.688 -8.774 1.00 0.00 C ATOM 878 CG ASN A 57 -15.000 7.775 -9.130 1.00 0.00 C ATOM 879 OD1 ASN A 57 -13.916 7.496 -9.640 1.00 0.00 O ATOM 880 ND2 ASN A 57 -15.361 9.020 -8.877 1.00 0.00 N ATOM 0 H ASN A 57 -15.363 7.749 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.545 5.359 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.874 5.849 -9.459 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -17.010 7.070 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.732 9.790 -9.106 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -16.269 9.212 -8.453 1.00 0.00 H new ATOM 887 N THR A 58 -13.917 4.891 -8.002 1.00 0.00 N ATOM 888 CA THR A 58 -12.601 4.301 -7.838 1.00 0.00 C ATOM 889 C THR A 58 -11.598 4.887 -8.831 1.00 0.00 C ATOM 890 O THR A 58 -11.724 4.705 -10.046 1.00 0.00 O ATOM 891 CB THR A 58 -12.662 2.772 -8.017 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.709 2.230 -7.203 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.340 2.125 -7.638 1.00 0.00 C ATOM 0 H THR A 58 -14.390 4.635 -8.868 1.00 0.00 H new ATOM 0 HA THR A 58 -12.267 4.534 -6.827 1.00 0.00 H new ATOM 0 HB THR A 58 -12.863 2.560 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.745 1.258 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.411 1.046 -7.774 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.547 2.519 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.113 2.345 -6.595 1.00 0.00 H new ATOM 901 N VAL A 59 -10.608 5.591 -8.306 1.00 0.00 N ATOM 902 CA VAL A 59 -9.538 6.144 -9.118 1.00 0.00 C ATOM 903 C VAL A 59 -8.380 5.154 -9.173 1.00 0.00 C ATOM 904 O VAL A 59 -7.681 4.948 -8.184 1.00 0.00 O ATOM 905 CB VAL A 59 -9.041 7.500 -8.559 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.965 8.098 -9.455 1.00 0.00 C ATOM 907 CG2 VAL A 59 -10.206 8.467 -8.394 1.00 0.00 C ATOM 0 H VAL A 59 -10.524 5.794 -7.310 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.928 6.319 -10.121 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.599 7.323 -7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.633 9.050 -9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.119 7.413 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.371 8.260 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.839 9.415 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.679 8.635 -9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.934 8.044 -7.702 1.00 0.00 H new ATOM 917 N LEU A 60 -8.204 4.515 -10.318 1.00 0.00 N ATOM 918 CA LEU A 60 -7.168 3.503 -10.471 1.00 0.00 C ATOM 919 C LEU A 60 -5.863 4.108 -10.979 1.00 0.00 C ATOM 920 O LEU A 60 -5.787 4.604 -12.101 1.00 0.00 O ATOM 921 CB LEU A 60 -7.625 2.379 -11.410 1.00 0.00 C ATOM 922 CG LEU A 60 -8.274 2.827 -12.724 1.00 0.00 C ATOM 923 CD1 LEU A 60 -7.862 1.907 -13.864 1.00 0.00 C ATOM 924 CD2 LEU A 60 -9.789 2.833 -12.587 1.00 0.00 C ATOM 0 H LEU A 60 -8.764 4.678 -11.155 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.987 3.081 -9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.762 1.757 -11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.334 1.749 -10.873 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.933 3.838 -12.948 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.332 2.241 -14.789 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.778 1.932 -13.978 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.180 0.888 -13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.238 3.153 -13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.136 1.829 -12.342 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.080 3.521 -11.793 1.00 0.00 H new ATOM 936 N LEU A 61 -4.841 4.057 -10.138 1.00 0.00 N ATOM 937 CA LEU A 61 -3.508 4.480 -10.531 1.00 0.00 C ATOM 938 C LEU A 61 -2.770 3.308 -11.153 1.00 0.00 C ATOM 939 O LEU A 61 -2.534 2.301 -10.487 1.00 0.00 O ATOM 940 CB LEU A 61 -2.701 4.974 -9.325 1.00 0.00 C ATOM 941 CG LEU A 61 -3.376 6.018 -8.441 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.436 6.427 -7.315 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.798 7.227 -9.254 1.00 0.00 C ATOM 0 H LEU A 61 -4.911 3.725 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.613 5.297 -11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.449 4.113 -8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.762 5.390 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.275 5.579 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.923 7.173 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.187 5.553 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.524 6.849 -7.737 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.277 7.956 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.921 7.677 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.500 6.918 -10.028 1.00 0.00 H new ATOM 955 N LYS A 62 -2.419 3.419 -12.419 1.00 0.00 N ATOM 956 CA LYS A 62 -1.620 2.390 -13.053 1.00 0.00 C ATOM 957 C LYS A 62 -0.141 2.683 -12.832 1.00 0.00 C ATOM 958 O LYS A 62 0.381 3.693 -13.311 1.00 0.00 O ATOM 959 CB LYS A 62 -1.931 2.278 -14.557 1.00 0.00 C ATOM 960 CG LYS A 62 -1.811 3.590 -15.319 1.00 0.00 C ATOM 961 CD LYS A 62 -1.124 3.400 -16.663 1.00 0.00 C ATOM 962 CE LYS A 62 0.311 2.921 -16.490 1.00 0.00 C ATOM 963 NZ LYS A 62 1.039 2.853 -17.783 1.00 0.00 N ATOM 0 H LYS A 62 -2.671 4.202 -13.023 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.871 1.432 -12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.255 1.549 -15.003 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.943 1.891 -14.679 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.804 4.013 -15.474 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.249 4.308 -14.721 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.681 2.677 -17.259 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.131 4.341 -17.213 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.838 3.594 -15.813 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.310 1.936 -16.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.011 2.522 -17.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.552 2.191 -18.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.064 3.798 -18.217 1.00 0.00 H new ATOM 1039 N ILE A 67 4.492 -7.094 -12.942 1.00 0.00 N ATOM 1040 CA ILE A 67 5.582 -7.414 -12.026 1.00 0.00 C ATOM 1041 C ILE A 67 5.112 -8.457 -11.016 1.00 0.00 C ATOM 1042 O ILE A 67 4.548 -8.129 -9.970 1.00 0.00 O ATOM 1043 CB ILE A 67 6.128 -6.171 -11.263 1.00 0.00 C ATOM 1044 CG1 ILE A 67 6.742 -5.144 -12.221 1.00 0.00 C ATOM 1045 CG2 ILE A 67 7.166 -6.587 -10.230 1.00 0.00 C ATOM 1046 CD1 ILE A 67 5.730 -4.257 -12.912 1.00 0.00 C ATOM 0 HA ILE A 67 6.399 -7.802 -12.634 1.00 0.00 H new ATOM 0 HB ILE A 67 5.281 -5.706 -10.758 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.439 -4.516 -11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.323 -5.672 -12.978 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.535 -5.704 -9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.711 -7.269 -9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.996 -7.086 -10.729 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.247 -3.560 -13.571 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.047 -4.872 -13.498 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.165 -3.699 -12.165 1.00 0.00 H new ATOM 1058 N VAL A 68 5.319 -9.723 -11.343 1.00 0.00 N ATOM 1059 CA VAL A 68 4.878 -10.800 -10.479 1.00 0.00 C ATOM 1060 C VAL A 68 6.015 -11.266 -9.575 1.00 0.00 C ATOM 1061 O VAL A 68 6.733 -12.219 -9.888 1.00 0.00 O ATOM 1062 CB VAL A 68 4.316 -11.999 -11.276 1.00 0.00 C ATOM 1063 CG1 VAL A 68 3.734 -13.046 -10.335 1.00 0.00 C ATOM 1064 CG2 VAL A 68 3.269 -11.536 -12.281 1.00 0.00 C ATOM 0 H VAL A 68 5.788 -10.026 -12.197 1.00 0.00 H new ATOM 0 HA VAL A 68 4.069 -10.401 -9.867 1.00 0.00 H new ATOM 0 HB VAL A 68 5.138 -12.456 -11.828 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.344 -13.881 -10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.514 -13.405 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.927 -12.602 -9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.887 -12.396 -12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.449 -11.049 -11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.721 -10.831 -12.979 1.00 0.00 H new ATOM 1074 N SER A 69 6.206 -10.549 -8.482 1.00 0.00 N ATOM 1075 CA SER A 69 7.150 -10.955 -7.453 1.00 0.00 C ATOM 1076 C SER A 69 6.376 -11.418 -6.226 1.00 0.00 C ATOM 1077 O SER A 69 6.949 -11.734 -5.185 1.00 0.00 O ATOM 1078 CB SER A 69 8.082 -9.795 -7.101 1.00 0.00 C ATOM 1079 OG SER A 69 8.731 -9.300 -8.262 1.00 0.00 O ATOM 0 H SER A 69 5.717 -9.677 -8.282 1.00 0.00 H new ATOM 0 HA SER A 69 7.764 -11.777 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.512 -8.995 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.826 -10.127 -6.377 1.00 0.00 H new ATOM 0 HG SER A 69 9.321 -8.557 -8.015 1.00 0.00 H new ATOM 1085 N VAL A 70 5.058 -11.459 -6.379 1.00 0.00 N ATOM 1086 CA VAL A 70 4.167 -11.839 -5.302 1.00 0.00 C ATOM 1087 C VAL A 70 3.901 -13.338 -5.342 1.00 0.00 C ATOM 1088 O VAL A 70 3.396 -13.860 -6.338 1.00 0.00 O ATOM 1089 CB VAL A 70 2.822 -11.088 -5.389 1.00 0.00 C ATOM 1090 CG1 VAL A 70 1.949 -11.407 -4.187 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.046 -9.588 -5.508 1.00 0.00 C ATOM 0 H VAL A 70 4.583 -11.230 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 70 4.656 -11.572 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 70 2.304 -11.426 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.006 -10.867 -4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.752 -12.479 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.462 -11.105 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.083 -9.080 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.591 -9.231 -4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.624 -9.377 -6.407 1.00 0.00 H new ATOM 1101 N LYS A 71 4.251 -14.023 -4.268 1.00 0.00 N ATOM 1102 CA LYS A 71 3.995 -15.450 -4.164 1.00 0.00 C ATOM 1103 C LYS A 71 2.528 -15.707 -3.846 1.00 0.00 C ATOM 1104 O LYS A 71 1.847 -14.850 -3.287 1.00 0.00 O ATOM 1105 CB LYS A 71 4.876 -16.083 -3.085 1.00 0.00 C ATOM 1106 CG LYS A 71 6.346 -16.177 -3.469 1.00 0.00 C ATOM 1107 CD LYS A 71 7.177 -16.840 -2.377 1.00 0.00 C ATOM 1108 CE LYS A 71 6.663 -18.234 -2.031 1.00 0.00 C ATOM 1109 NZ LYS A 71 6.644 -19.143 -3.209 1.00 0.00 N ATOM 0 H LYS A 71 4.713 -13.615 -3.455 1.00 0.00 H new ATOM 0 HA LYS A 71 4.236 -15.905 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.786 -15.501 -2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.503 -17.083 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.444 -16.744 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.735 -15.178 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.215 -16.907 -2.703 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.163 -16.217 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.291 -18.667 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.656 -18.155 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.385 -20.103 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.947 -18.800 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.587 -19.162 -3.648 1.00 0.00 H new ATOM 1123 N PHE A 72 2.047 -16.886 -4.215 1.00 0.00 N ATOM 1124 CA PHE A 72 0.679 -17.284 -3.901 1.00 0.00 C ATOM 1125 C PHE A 72 0.629 -17.975 -2.541 1.00 0.00 C ATOM 1126 O PHE A 72 -0.377 -18.578 -2.159 1.00 0.00 O ATOM 1127 CB PHE A 72 0.109 -18.193 -5.000 1.00 0.00 C ATOM 1128 CG PHE A 72 1.038 -19.290 -5.453 1.00 0.00 C ATOM 1129 CD1 PHE A 72 1.187 -20.451 -4.711 1.00 0.00 C ATOM 1130 CD2 PHE A 72 1.755 -19.158 -6.632 1.00 0.00 C ATOM 1131 CE1 PHE A 72 2.035 -21.456 -5.134 1.00 0.00 C ATOM 1132 CE2 PHE A 72 2.605 -20.160 -7.060 1.00 0.00 C ATOM 1133 CZ PHE A 72 2.746 -21.310 -6.310 1.00 0.00 C ATOM 0 H PHE A 72 2.582 -17.584 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 72 0.059 -16.388 -3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.815 -18.644 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.153 -17.579 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.634 -20.571 -3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.648 -18.261 -7.224 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.142 -22.355 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.158 -20.043 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.411 -22.094 -6.641 1.00 0.00 H new ATOM 1143 N SER A 73 1.737 -17.878 -1.824 1.00 0.00 N ATOM 1144 CA SER A 73 1.846 -18.417 -0.480 1.00 0.00 C ATOM 1145 C SER A 73 1.450 -17.346 0.534 1.00 0.00 C ATOM 1146 O SER A 73 1.001 -16.263 0.153 1.00 0.00 O ATOM 1147 CB SER A 73 3.286 -18.877 -0.231 1.00 0.00 C ATOM 1148 OG SER A 73 3.764 -19.656 -1.318 1.00 0.00 O ATOM 0 H SER A 73 2.586 -17.423 -2.159 1.00 0.00 H new ATOM 0 HA SER A 73 1.177 -19.270 -0.371 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.930 -18.009 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.332 -19.461 0.688 1.00 0.00 H new ATOM 0 HG SER A 73 4.619 -20.069 -1.074 1.00 0.00 H new ATOM 1154 N LYS A 74 1.617 -17.639 1.815 1.00 0.00 N ATOM 1155 CA LYS A 74 1.297 -16.674 2.852 1.00 0.00 C ATOM 1156 C LYS A 74 2.183 -16.873 4.078 1.00 0.00 C ATOM 1157 O LYS A 74 2.320 -17.987 4.590 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.181 -16.782 3.246 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.583 -18.150 3.777 1.00 0.00 C ATOM 1160 CD LYS A 74 -2.005 -18.145 4.307 1.00 0.00 C ATOM 1161 CE LYS A 74 -2.378 -19.483 4.924 1.00 0.00 C ATOM 1162 NZ LYS A 74 -2.389 -20.579 3.920 1.00 0.00 N ATOM 0 H LYS A 74 1.970 -18.532 2.158 1.00 0.00 H new ATOM 0 HA LYS A 74 1.485 -15.677 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.400 -16.031 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.796 -16.546 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.492 -18.891 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.101 -18.449 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.113 -17.357 5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.695 -17.913 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.671 -19.726 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.362 -19.406 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.778 -21.442 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.979 -20.302 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.418 -20.762 3.595 1.00 0.00 H new ATOM 1176 N ASP A 75 2.810 -15.795 4.521 1.00 0.00 N ATOM 1177 CA ASP A 75 3.565 -15.803 5.763 1.00 0.00 C ATOM 1178 C ASP A 75 3.310 -14.525 6.541 1.00 0.00 C ATOM 1179 O ASP A 75 3.181 -13.450 5.960 1.00 0.00 O ATOM 1180 CB ASP A 75 5.065 -15.964 5.512 1.00 0.00 C ATOM 1181 CG ASP A 75 5.871 -15.767 6.783 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.516 -16.372 7.819 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.838 -14.984 6.765 1.00 0.00 O ATOM 0 H ASP A 75 2.810 -14.898 4.035 1.00 0.00 H new ATOM 0 HA ASP A 75 3.227 -16.659 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.262 -16.956 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.388 -15.243 4.761 1.00 0.00 H new ATOM 1188 N ARG A 76 3.237 -14.648 7.855 1.00 0.00 N ATOM 1189 CA ARG A 76 2.958 -13.513 8.717 1.00 0.00 C ATOM 1190 C ARG A 76 4.254 -12.993 9.339 1.00 0.00 C ATOM 1191 O ARG A 76 4.305 -11.880 9.863 1.00 0.00 O ATOM 1192 CB ARG A 76 1.964 -13.935 9.802 1.00 0.00 C ATOM 1193 CG ARG A 76 1.313 -12.777 10.541 1.00 0.00 C ATOM 1194 CD ARG A 76 0.258 -13.274 11.518 1.00 0.00 C ATOM 1195 NE ARG A 76 -0.518 -12.179 12.099 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.842 -12.205 12.254 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -2.531 -13.294 11.926 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -2.467 -11.151 12.761 1.00 0.00 N ATOM 0 H ARG A 76 3.368 -15.530 8.351 1.00 0.00 H new ATOM 0 HA ARG A 76 2.519 -12.707 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.183 -14.544 9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.480 -14.567 10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.074 -12.211 11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.856 -12.095 9.824 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.415 -13.961 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.741 -13.838 12.316 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.016 -11.345 12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.047 -14.111 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.544 -13.312 12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.935 -10.324 13.031 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.480 -11.168 12.881 1.00 0.00 H new ATOM 1212 N HIS A 77 5.310 -13.795 9.243 1.00 0.00 N ATOM 1213 CA HIS A 77 6.590 -13.458 9.856 1.00 0.00 C ATOM 1214 C HIS A 77 7.319 -12.392 9.054 1.00 0.00 C ATOM 1215 O HIS A 77 7.785 -11.393 9.608 1.00 0.00 O ATOM 1216 CB HIS A 77 7.483 -14.695 9.982 1.00 0.00 C ATOM 1217 CG HIS A 77 6.958 -15.733 10.918 1.00 0.00 C ATOM 1218 ND1 HIS A 77 7.006 -15.602 12.290 1.00 0.00 N ATOM 1219 CD2 HIS A 77 6.369 -16.927 10.675 1.00 0.00 C ATOM 1220 CE1 HIS A 77 6.471 -16.672 12.849 1.00 0.00 C ATOM 1221 NE2 HIS A 77 6.076 -17.488 11.891 1.00 0.00 N ATOM 0 H HIS A 77 5.304 -14.685 8.745 1.00 0.00 H new ATOM 0 HA HIS A 77 6.377 -13.069 10.852 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.609 -15.141 8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 77 8.472 -14.383 10.319 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.168 -17.357 9.705 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.373 -16.849 13.910 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.625 -18.392 12.032 1.00 0.00 H new ATOM 1230 N LEU A 78 7.429 -12.613 7.750 1.00 0.00 N ATOM 1231 CA LEU A 78 8.123 -11.684 6.874 1.00 0.00 C ATOM 1232 C LEU A 78 7.452 -10.312 6.900 1.00 0.00 C ATOM 1233 O LEU A 78 8.131 -9.289 6.907 1.00 0.00 O ATOM 1234 CB LEU A 78 8.181 -12.234 5.445 1.00 0.00 C ATOM 1235 CG LEU A 78 9.065 -11.443 4.473 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.486 -11.336 5.005 1.00 0.00 C ATOM 1237 CD2 LEU A 78 9.068 -12.103 3.104 1.00 0.00 C ATOM 0 H LEU A 78 7.044 -13.431 7.277 1.00 0.00 H new ATOM 0 HA LEU A 78 9.144 -11.568 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.541 -13.262 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.168 -12.266 5.044 1.00 0.00 H new ATOM 0 HG LEU A 78 8.654 -10.438 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.097 -10.771 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.477 -10.825 5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.904 -12.335 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.700 -11.530 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.455 -13.118 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.051 -12.135 2.713 1.00 0.00 H new ATOM 1249 N ILE A 79 6.123 -10.293 6.938 1.00 0.00 N ATOM 1250 CA ILE A 79 5.378 -9.039 7.022 1.00 0.00 C ATOM 1251 C ILE A 79 5.741 -8.287 8.303 1.00 0.00 C ATOM 1252 O ILE A 79 6.040 -7.090 8.275 1.00 0.00 O ATOM 1253 CB ILE A 79 3.853 -9.273 6.993 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.459 -10.088 5.759 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.117 -7.939 7.003 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.990 -10.451 5.714 1.00 0.00 C ATOM 0 H ILE A 79 5.540 -11.129 6.912 1.00 0.00 H new ATOM 0 HA ILE A 79 5.654 -8.446 6.150 1.00 0.00 H new ATOM 0 HB ILE A 79 3.571 -9.836 7.882 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.712 -9.520 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.051 -11.003 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.042 -8.117 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.376 -7.387 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.406 -7.358 6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.785 -11.028 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.735 -11.046 6.591 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.390 -9.541 5.707 1.00 0.00 H new ATOM 1268 N GLU A 80 5.723 -9.008 9.419 1.00 0.00 N ATOM 1269 CA GLU A 80 6.087 -8.447 10.715 1.00 0.00 C ATOM 1270 C GLU A 80 7.513 -7.904 10.680 1.00 0.00 C ATOM 1271 O GLU A 80 7.761 -6.752 11.045 1.00 0.00 O ATOM 1272 CB GLU A 80 5.927 -9.527 11.799 1.00 0.00 C ATOM 1273 CG GLU A 80 6.277 -9.081 13.215 1.00 0.00 C ATOM 1274 CD GLU A 80 7.760 -9.199 13.531 1.00 0.00 C ATOM 1275 OE1 GLU A 80 8.300 -10.323 13.469 1.00 0.00 O ATOM 1276 OE2 GLU A 80 8.386 -8.167 13.862 1.00 0.00 O ATOM 0 H GLU A 80 5.457 -9.992 9.451 1.00 0.00 H new ATOM 0 HA GLU A 80 5.425 -7.614 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.895 -9.878 11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.556 -10.378 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.965 -8.046 13.351 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.711 -9.681 13.928 1.00 0.00 H new ATOM 1283 N THR A 81 8.436 -8.731 10.208 1.00 0.00 N ATOM 1284 CA THR A 81 9.846 -8.373 10.164 1.00 0.00 C ATOM 1285 C THR A 81 10.089 -7.159 9.264 1.00 0.00 C ATOM 1286 O THR A 81 10.794 -6.222 9.645 1.00 0.00 O ATOM 1287 CB THR A 81 10.696 -9.559 9.661 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.377 -10.742 10.412 1.00 0.00 O ATOM 1289 CG2 THR A 81 12.181 -9.264 9.794 1.00 0.00 C ATOM 0 H THR A 81 8.230 -9.663 9.847 1.00 0.00 H new ATOM 0 HA THR A 81 10.144 -8.118 11.181 1.00 0.00 H new ATOM 0 HB THR A 81 10.466 -9.716 8.607 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.511 -11.093 10.117 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.755 -10.117 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.431 -8.382 9.205 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.423 -9.081 10.841 1.00 0.00 H new ATOM 1297 N THR A 82 9.484 -7.174 8.081 1.00 0.00 N ATOM 1298 CA THR A 82 9.667 -6.100 7.113 1.00 0.00 C ATOM 1299 C THR A 82 9.138 -4.769 7.649 1.00 0.00 C ATOM 1300 O THR A 82 9.760 -3.728 7.458 1.00 0.00 O ATOM 1301 CB THR A 82 8.980 -6.434 5.769 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.448 -7.702 5.296 1.00 0.00 O ATOM 1303 CG2 THR A 82 9.278 -5.373 4.717 1.00 0.00 C ATOM 0 H THR A 82 8.862 -7.920 7.770 1.00 0.00 H new ATOM 0 HA THR A 82 10.739 -6.003 6.943 1.00 0.00 H new ATOM 0 HB THR A 82 7.904 -6.464 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.793 -8.396 5.519 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.781 -5.637 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.913 -4.406 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.354 -5.317 4.552 1.00 0.00 H new ATOM 1311 N SER A 83 8.003 -4.809 8.339 1.00 0.00 N ATOM 1312 CA SER A 83 7.400 -3.600 8.888 1.00 0.00 C ATOM 1313 C SER A 83 8.262 -3.013 10.009 1.00 0.00 C ATOM 1314 O SER A 83 8.477 -1.796 10.075 1.00 0.00 O ATOM 1315 CB SER A 83 5.993 -3.904 9.400 1.00 0.00 C ATOM 1316 OG SER A 83 5.185 -4.440 8.364 1.00 0.00 O ATOM 0 H SER A 83 7.483 -5.665 8.531 1.00 0.00 H new ATOM 0 HA SER A 83 7.336 -2.858 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.047 -4.611 10.228 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.538 -2.993 9.788 1.00 0.00 H new ATOM 0 HG SER A 83 5.390 -5.391 8.248 1.00 0.00 H new ATOM 1322 N ASN A 84 8.765 -3.879 10.881 1.00 0.00 N ATOM 1323 CA ASN A 84 9.623 -3.442 11.976 1.00 0.00 C ATOM 1324 C ASN A 84 10.920 -2.862 11.427 1.00 0.00 C ATOM 1325 O ASN A 84 11.331 -1.763 11.803 1.00 0.00 O ATOM 1326 CB ASN A 84 9.917 -4.606 12.927 1.00 0.00 C ATOM 1327 CG ASN A 84 10.809 -4.208 14.091 1.00 0.00 C ATOM 1328 OD1 ASN A 84 10.808 -3.057 14.532 1.00 0.00 O ATOM 1329 ND2 ASN A 84 11.566 -5.163 14.605 1.00 0.00 N ATOM 0 H ASN A 84 8.594 -4.884 10.852 1.00 0.00 H new ATOM 0 HA ASN A 84 9.103 -2.666 12.537 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.977 -4.999 13.314 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.394 -5.412 12.370 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.178 -4.959 15.395 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.538 -6.103 14.211 1.00 0.00 H new ATOM 1336 N LYS A 85 11.540 -3.592 10.508 1.00 0.00 N ATOM 1337 CA LYS A 85 12.781 -3.152 9.889 1.00 0.00 C ATOM 1338 C LYS A 85 12.550 -1.865 9.101 1.00 0.00 C ATOM 1339 O LYS A 85 13.437 -1.010 9.015 1.00 0.00 O ATOM 1340 CB LYS A 85 13.334 -4.244 8.968 1.00 0.00 C ATOM 1341 CG LYS A 85 14.705 -3.926 8.383 1.00 0.00 C ATOM 1342 CD LYS A 85 15.774 -3.821 9.463 1.00 0.00 C ATOM 1343 CE LYS A 85 16.040 -5.165 10.131 1.00 0.00 C ATOM 1344 NZ LYS A 85 16.554 -6.177 9.167 1.00 0.00 N ATOM 0 H LYS A 85 11.201 -4.494 10.175 1.00 0.00 H new ATOM 0 HA LYS A 85 13.511 -2.956 10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.396 -5.178 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.631 -4.407 8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.984 -4.702 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.655 -2.988 7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.698 -3.444 9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.460 -3.097 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.762 -5.032 10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.120 -5.532 10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.957 -6.981 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.774 -6.511 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.290 -5.747 8.571 1.00 0.00 H new ATOM 1358 N LEU A 86 11.346 -1.731 8.548 1.00 0.00 N ATOM 1359 CA LEU A 86 10.974 -0.548 7.783 1.00 0.00 C ATOM 1360 C LEU A 86 11.141 0.715 8.609 1.00 0.00 C ATOM 1361 O LEU A 86 11.784 1.657 8.172 1.00 0.00 O ATOM 1362 CB LEU A 86 9.528 -0.639 7.291 1.00 0.00 C ATOM 1363 CG LEU A 86 9.015 0.604 6.556 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.715 0.761 5.213 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.506 0.537 6.374 1.00 0.00 C ATOM 0 H LEU A 86 10.609 -2.433 8.618 1.00 0.00 H new ATOM 0 HA LEU A 86 11.641 -0.502 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.440 -1.498 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.880 -0.830 8.147 1.00 0.00 H new ATOM 0 HG LEU A 86 9.245 1.479 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.337 1.649 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.788 0.864 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.522 -0.117 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.163 1.429 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.249 -0.348 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.024 0.481 7.350 1.00 0.00 H new ATOM 1377 N LYS A 87 10.576 0.742 9.807 1.00 0.00 N ATOM 1378 CA LYS A 87 10.645 1.952 10.620 1.00 0.00 C ATOM 1379 C LYS A 87 11.980 2.044 11.358 1.00 0.00 C ATOM 1380 O LYS A 87 12.387 3.121 11.792 1.00 0.00 O ATOM 1381 CB LYS A 87 9.486 2.027 11.617 1.00 0.00 C ATOM 1382 CG LYS A 87 9.319 3.412 12.234 1.00 0.00 C ATOM 1383 CD LYS A 87 8.997 4.456 11.170 1.00 0.00 C ATOM 1384 CE LYS A 87 8.939 5.867 11.741 1.00 0.00 C ATOM 1385 NZ LYS A 87 10.290 6.408 12.054 1.00 0.00 N ATOM 0 H LYS A 87 10.076 -0.039 10.232 1.00 0.00 H new ATOM 0 HA LYS A 87 10.564 2.800 9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.561 1.746 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.650 1.299 12.411 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.521 3.388 12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.233 3.692 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.752 4.415 10.385 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.041 4.215 10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.444 6.525 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.333 5.865 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.211 7.413 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.700 5.879 12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.904 6.311 11.221 1.00 0.00 H new ATOM 1399 N SER A 88 12.663 0.915 11.492 1.00 0.00 N ATOM 1400 CA SER A 88 13.947 0.884 12.175 1.00 0.00 C ATOM 1401 C SER A 88 15.038 1.533 11.325 1.00 0.00 C ATOM 1402 O SER A 88 15.674 2.498 11.751 1.00 0.00 O ATOM 1403 CB SER A 88 14.330 -0.554 12.528 1.00 0.00 C ATOM 1404 OG SER A 88 13.367 -1.137 13.395 1.00 0.00 O ATOM 0 H SER A 88 12.350 0.011 11.137 1.00 0.00 H new ATOM 0 HA SER A 88 13.852 1.457 13.097 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.411 -1.147 11.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.310 -0.567 13.005 1.00 0.00 H new ATOM 0 HG SER A 88 12.674 -1.581 12.863 1.00 0.00 H new ATOM 1410 N ARG A 89 15.244 1.015 10.120 1.00 0.00 N ATOM 1411 CA ARG A 89 16.284 1.538 9.240 1.00 0.00 C ATOM 1412 C ARG A 89 15.719 2.623 8.331 1.00 0.00 C ATOM 1413 O ARG A 89 16.460 3.445 7.788 1.00 0.00 O ATOM 1414 CB ARG A 89 16.882 0.410 8.395 1.00 0.00 C ATOM 1415 CG ARG A 89 18.119 0.823 7.615 1.00 0.00 C ATOM 1416 CD ARG A 89 18.712 -0.340 6.834 1.00 0.00 C ATOM 1417 NE ARG A 89 19.865 0.066 6.034 1.00 0.00 N ATOM 1418 CZ ARG A 89 20.761 -0.787 5.530 1.00 0.00 C ATOM 1419 NH1 ARG A 89 20.650 -2.090 5.759 1.00 0.00 N ATOM 1420 NH2 ARG A 89 21.760 -0.329 4.788 1.00 0.00 N ATOM 0 H ARG A 89 14.709 0.238 9.731 1.00 0.00 H new ATOM 0 HA ARG A 89 17.070 1.973 9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 89 17.136 -0.425 9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.126 0.051 7.697 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.862 1.629 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.867 1.217 8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.011 -1.126 7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.949 -0.764 6.181 1.00 0.00 H new ATOM 0 HE ARG A 89 19.994 1.061 5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.877 -2.445 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.337 -2.736 5.371 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.842 0.671 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 89 22.446 -0.977 4.401 1.00 0.00 H new ATOM 1434 N GLU A 90 14.400 2.623 8.201 1.00 0.00 N ATOM 1435 CA GLU A 90 13.694 3.511 7.287 1.00 0.00 C ATOM 1436 C GLU A 90 14.191 3.308 5.863 1.00 0.00 C ATOM 1437 O GLU A 90 14.771 4.199 5.244 1.00 0.00 O ATOM 1438 CB GLU A 90 13.790 4.972 7.733 1.00 0.00 C ATOM 1439 CG GLU A 90 13.284 5.185 9.153 1.00 0.00 C ATOM 1440 CD GLU A 90 12.883 6.616 9.438 1.00 0.00 C ATOM 1441 OE1 GLU A 90 13.742 7.516 9.332 1.00 0.00 O ATOM 1442 OE2 GLU A 90 11.701 6.847 9.773 1.00 0.00 O ATOM 0 H GLU A 90 13.786 2.004 8.729 1.00 0.00 H new ATOM 0 HA GLU A 90 12.635 3.255 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.827 5.301 7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 90 13.214 5.595 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 90 12.428 4.534 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 90 14.061 4.886 9.857 1.00 0.00 H new ATOM 1449 N ILE A 91 13.988 2.090 5.377 1.00 0.00 N ATOM 1450 CA ILE A 91 14.338 1.724 4.014 1.00 0.00 C ATOM 1451 C ILE A 91 13.286 2.237 3.043 1.00 0.00 C ATOM 1452 O ILE A 91 12.220 2.693 3.459 1.00 0.00 O ATOM 1453 CB ILE A 91 14.474 0.192 3.862 1.00 0.00 C ATOM 1454 CG1 ILE A 91 13.200 -0.502 4.360 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.700 -0.308 4.617 1.00 0.00 C ATOM 1456 CD1 ILE A 91 13.242 -2.012 4.257 1.00 0.00 C ATOM 0 H ILE A 91 13.576 1.330 5.918 1.00 0.00 H new ATOM 0 HA ILE A 91 15.300 2.182 3.785 1.00 0.00 H new ATOM 0 HB ILE A 91 14.605 -0.050 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.029 -0.223 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.349 -0.132 3.787 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.783 -1.389 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.594 0.170 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.601 -0.063 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.306 -2.428 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.380 -2.302 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.071 -2.394 4.853 1.00 0.00 H new ATOM 1468 N THR A 92 13.582 2.168 1.757 1.00 0.00 N ATOM 1469 CA THR A 92 12.674 2.675 0.743 1.00 0.00 C ATOM 1470 C THR A 92 11.370 1.888 0.705 1.00 0.00 C ATOM 1471 O THR A 92 11.311 0.722 1.107 1.00 0.00 O ATOM 1472 CB THR A 92 13.315 2.655 -0.652 1.00 0.00 C ATOM 1473 OG1 THR A 92 13.980 1.404 -0.874 1.00 0.00 O ATOM 1474 CG2 THR A 92 14.293 3.808 -0.812 1.00 0.00 C ATOM 0 H THR A 92 14.444 1.766 1.390 1.00 0.00 H new ATOM 0 HA THR A 92 12.455 3.706 1.019 1.00 0.00 H new ATOM 0 HB THR A 92 12.526 2.771 -1.395 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.383 1.402 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.735 3.774 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 92 13.766 4.753 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.080 3.724 -0.062 1.00 0.00 H new ATOM 1482 N PHE A 93 10.329 2.540 0.200 1.00 0.00 N ATOM 1483 CA PHE A 93 9.006 1.938 0.097 1.00 0.00 C ATOM 1484 C PHE A 93 9.045 0.741 -0.852 1.00 0.00 C ATOM 1485 O PHE A 93 8.225 -0.173 -0.763 1.00 0.00 O ATOM 1486 CB PHE A 93 8.013 2.992 -0.410 1.00 0.00 C ATOM 1487 CG PHE A 93 6.570 2.661 -0.162 1.00 0.00 C ATOM 1488 CD1 PHE A 93 5.994 2.914 1.071 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.786 2.113 -1.165 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.662 2.625 1.301 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.455 1.820 -0.942 1.00 0.00 C ATOM 1492 CZ PHE A 93 3.891 2.077 0.292 1.00 0.00 C ATOM 0 H PHE A 93 10.378 3.497 -0.148 1.00 0.00 H new ATOM 0 HA PHE A 93 8.687 1.585 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.241 3.946 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.162 3.127 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.592 3.342 1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.221 1.913 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.224 2.827 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.856 1.391 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.850 1.851 0.469 1.00 0.00 H new ATOM 1502 N GLN A 94 10.025 0.755 -1.748 1.00 0.00 N ATOM 1503 CA GLN A 94 10.212 -0.319 -2.713 1.00 0.00 C ATOM 1504 C GLN A 94 10.654 -1.603 -2.017 1.00 0.00 C ATOM 1505 O GLN A 94 10.149 -2.685 -2.321 1.00 0.00 O ATOM 1506 CB GLN A 94 11.233 0.104 -3.769 1.00 0.00 C ATOM 1507 CG GLN A 94 10.738 1.235 -4.653 1.00 0.00 C ATOM 1508 CD GLN A 94 11.793 1.747 -5.612 1.00 0.00 C ATOM 1509 OE1 GLN A 94 12.986 1.745 -5.310 1.00 0.00 O ATOM 1510 NE2 GLN A 94 11.358 2.174 -6.783 1.00 0.00 N ATOM 0 H GLN A 94 10.709 1.508 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 94 9.260 -0.518 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.153 0.414 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.480 -0.755 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.874 0.891 -5.222 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.398 2.058 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.360 2.158 -6.993 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.020 2.519 -7.478 1.00 0.00 H new ATOM 1519 N GLU A 95 11.582 -1.473 -1.075 1.00 0.00 N ATOM 1520 CA GLU A 95 12.042 -2.614 -0.286 1.00 0.00 C ATOM 1521 C GLU A 95 10.893 -3.186 0.533 1.00 0.00 C ATOM 1522 O GLU A 95 10.722 -4.404 0.623 1.00 0.00 O ATOM 1523 CB GLU A 95 13.181 -2.195 0.641 1.00 0.00 C ATOM 1524 CG GLU A 95 14.444 -1.772 -0.088 1.00 0.00 C ATOM 1525 CD GLU A 95 15.177 -2.940 -0.719 1.00 0.00 C ATOM 1526 OE1 GLU A 95 14.621 -3.579 -1.632 1.00 0.00 O ATOM 1527 OE2 GLU A 95 16.324 -3.226 -0.303 1.00 0.00 O ATOM 0 H GLU A 95 12.032 -0.589 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 95 12.407 -3.381 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.842 -1.370 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.418 -3.025 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.186 -1.049 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.110 -1.266 0.611 1.00 0.00 H new ATOM 1534 N TYR A 96 10.099 -2.294 1.119 1.00 0.00 N ATOM 1535 CA TYR A 96 8.938 -2.696 1.905 1.00 0.00 C ATOM 1536 C TYR A 96 7.960 -3.481 1.033 1.00 0.00 C ATOM 1537 O TYR A 96 7.475 -4.540 1.430 1.00 0.00 O ATOM 1538 CB TYR A 96 8.249 -1.463 2.510 1.00 0.00 C ATOM 1539 CG TYR A 96 7.113 -1.789 3.460 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.339 -2.546 4.599 1.00 0.00 C ATOM 1541 CD2 TYR A 96 5.822 -1.341 3.220 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.313 -2.851 5.476 1.00 0.00 C ATOM 1543 CE2 TYR A 96 4.788 -1.641 4.092 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.038 -2.397 5.217 1.00 0.00 C ATOM 1545 OH TYR A 96 4.011 -2.697 6.085 1.00 0.00 O ATOM 0 H TYR A 96 10.240 -1.285 1.064 1.00 0.00 H new ATOM 0 HA TYR A 96 9.271 -3.338 2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.993 -0.869 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.864 -0.842 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.336 -2.905 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.620 -0.749 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.510 -3.442 6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.789 -1.283 3.891 1.00 0.00 H new ATOM 0 HH TYR A 96 4.350 -3.263 6.810 1.00 0.00 H new ATOM 1555 N ARG A 97 7.697 -2.966 -0.166 1.00 0.00 N ATOM 1556 CA ARG A 97 6.797 -3.624 -1.108 1.00 0.00 C ATOM 1557 C ARG A 97 7.316 -4.995 -1.518 1.00 0.00 C ATOM 1558 O ARG A 97 6.577 -5.979 -1.500 1.00 0.00 O ATOM 1559 CB ARG A 97 6.615 -2.785 -2.377 1.00 0.00 C ATOM 1560 CG ARG A 97 5.677 -1.602 -2.238 1.00 0.00 C ATOM 1561 CD ARG A 97 5.574 -0.836 -3.551 1.00 0.00 C ATOM 1562 NE ARG A 97 5.223 -1.711 -4.676 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.371 -1.380 -5.965 1.00 0.00 C ATOM 1564 NH1 ARG A 97 5.857 -0.194 -6.310 1.00 0.00 N ATOM 1565 NH2 ARG A 97 5.037 -2.239 -6.918 1.00 0.00 N ATOM 0 H ARG A 97 8.096 -2.092 -0.508 1.00 0.00 H new ATOM 0 HA ARG A 97 5.843 -3.735 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.591 -2.419 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.243 -3.432 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.689 -1.949 -1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.036 -0.938 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.823 -0.052 -3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.524 -0.344 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 97 4.841 -2.632 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.123 0.477 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.965 0.046 -7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.666 -3.156 -6.671 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.151 -1.983 -7.899 1.00 0.00 H new ATOM 1579 N ARG A 98 8.586 -5.044 -1.899 1.00 0.00 N ATOM 1580 CA ARG A 98 9.178 -6.253 -2.460 1.00 0.00 C ATOM 1581 C ARG A 98 9.147 -7.407 -1.464 1.00 0.00 C ATOM 1582 O ARG A 98 8.860 -8.546 -1.833 1.00 0.00 O ATOM 1583 CB ARG A 98 10.610 -5.973 -2.928 1.00 0.00 C ATOM 1584 CG ARG A 98 11.290 -7.176 -3.556 1.00 0.00 C ATOM 1585 CD ARG A 98 12.493 -6.768 -4.391 1.00 0.00 C ATOM 1586 NE ARG A 98 13.507 -6.051 -3.619 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.817 -6.151 -3.850 1.00 0.00 C ATOM 1588 NH1 ARG A 98 15.269 -6.926 -4.826 1.00 0.00 N ATOM 1589 NH2 ARG A 98 15.669 -5.455 -3.120 1.00 0.00 N ATOM 0 H ARG A 98 9.230 -4.256 -1.829 1.00 0.00 H new ATOM 0 HA ARG A 98 8.581 -6.553 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.594 -5.157 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.202 -5.635 -2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.607 -7.865 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.577 -7.712 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.942 -7.658 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.159 -6.138 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 98 13.196 -5.441 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.614 -7.450 -5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.272 -6.998 -4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 98 15.325 -4.842 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 98 16.671 -5.530 -3.295 1.00 0.00 H new ATOM 1603 N ASN A 99 9.420 -7.110 -0.203 1.00 0.00 N ATOM 1604 CA ASN A 99 9.397 -8.135 0.835 1.00 0.00 C ATOM 1605 C ASN A 99 7.970 -8.603 1.104 1.00 0.00 C ATOM 1606 O ASN A 99 7.736 -9.780 1.366 1.00 0.00 O ATOM 1607 CB ASN A 99 10.051 -7.634 2.124 1.00 0.00 C ATOM 1608 CG ASN A 99 11.563 -7.539 2.006 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.189 -8.297 1.266 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.162 -6.612 2.740 1.00 0.00 N ATOM 0 H ASN A 99 9.659 -6.175 0.127 1.00 0.00 H new ATOM 0 HA ASN A 99 9.975 -8.985 0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.646 -6.654 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.794 -8.305 2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.176 -6.509 2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.609 -6.002 3.342 1.00 0.00 H new ATOM 1617 N LEU A 100 7.017 -7.681 1.016 1.00 0.00 N ATOM 1618 CA LEU A 100 5.606 -8.028 1.166 1.00 0.00 C ATOM 1619 C LEU A 100 5.171 -8.974 0.056 1.00 0.00 C ATOM 1620 O LEU A 100 4.449 -9.946 0.295 1.00 0.00 O ATOM 1621 CB LEU A 100 4.735 -6.772 1.145 1.00 0.00 C ATOM 1622 CG LEU A 100 4.809 -5.906 2.401 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.141 -4.568 2.158 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.147 -6.612 3.570 1.00 0.00 C ATOM 0 H LEU A 100 7.194 -6.692 0.842 1.00 0.00 H new ATOM 0 HA LEU A 100 5.481 -8.526 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.023 -6.164 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.698 -7.071 0.990 1.00 0.00 H new ATOM 0 HG LEU A 100 5.859 -5.737 2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.202 -3.962 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.645 -4.053 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.095 -4.726 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.208 -5.982 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.101 -6.805 3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.656 -7.557 3.760 1.00 0.00 H new ATOM 1636 N ALA A 101 5.629 -8.689 -1.154 1.00 0.00 N ATOM 1637 CA ALA A 101 5.332 -9.526 -2.306 1.00 0.00 C ATOM 1638 C ALA A 101 5.855 -10.944 -2.096 1.00 0.00 C ATOM 1639 O ALA A 101 5.185 -11.921 -2.433 1.00 0.00 O ATOM 1640 CB ALA A 101 5.934 -8.910 -3.559 1.00 0.00 C ATOM 0 H ALA A 101 6.212 -7.879 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 101 4.250 -9.585 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.709 -9.541 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.511 -7.918 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 101 7.015 -8.829 -3.442 1.00 0.00 H new ATOM 1646 N LYS A 102 7.038 -11.044 -1.507 1.00 0.00 N ATOM 1647 CA LYS A 102 7.656 -12.334 -1.235 1.00 0.00 C ATOM 1648 C LYS A 102 6.903 -13.084 -0.137 1.00 0.00 C ATOM 1649 O LYS A 102 6.945 -14.314 -0.069 1.00 0.00 O ATOM 1650 CB LYS A 102 9.116 -12.141 -0.835 1.00 0.00 C ATOM 1651 CG LYS A 102 9.974 -11.526 -1.929 1.00 0.00 C ATOM 1652 CD LYS A 102 11.391 -11.255 -1.442 1.00 0.00 C ATOM 1653 CE LYS A 102 12.128 -12.538 -1.090 1.00 0.00 C ATOM 1654 NZ LYS A 102 12.352 -13.397 -2.283 1.00 0.00 N ATOM 0 H LYS A 102 7.592 -10.242 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 102 7.611 -12.932 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.160 -11.505 0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.537 -13.106 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.005 -12.196 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.520 -10.595 -2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.944 -10.720 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.356 -10.606 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.088 -12.292 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.556 -13.092 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.999 -14.173 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.444 -13.792 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.770 -12.828 -3.047 1.00 0.00 H new ATOM 1668 N ALA A 103 6.223 -12.336 0.727 1.00 0.00 N ATOM 1669 CA ALA A 103 5.450 -12.929 1.813 1.00 0.00 C ATOM 1670 C ALA A 103 4.094 -13.407 1.311 1.00 0.00 C ATOM 1671 O ALA A 103 3.439 -14.233 1.946 1.00 0.00 O ATOM 1672 CB ALA A 103 5.278 -11.934 2.955 1.00 0.00 C ATOM 0 H ALA A 103 6.192 -11.317 0.696 1.00 0.00 H new ATOM 0 HA ALA A 103 5.998 -13.792 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.699 -12.395 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.257 -11.645 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.755 -11.050 2.591 1.00 0.00 H new ATOM 1678 N GLY A 104 3.681 -12.884 0.167 1.00 0.00 N ATOM 1679 CA GLY A 104 2.435 -13.308 -0.430 1.00 0.00 C ATOM 1680 C GLY A 104 1.349 -12.255 -0.341 1.00 0.00 C ATOM 1681 O GLY A 104 0.173 -12.560 -0.515 1.00 0.00 O ATOM 0 H GLY A 104 4.188 -12.172 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.606 -13.558 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.093 -14.218 0.063 1.00 0.00 H new ATOM 1685 N VAL A 105 1.736 -11.016 -0.068 1.00 0.00 N ATOM 1686 CA VAL A 105 0.775 -9.922 -0.018 1.00 0.00 C ATOM 1687 C VAL A 105 0.381 -9.511 -1.432 1.00 0.00 C ATOM 1688 O VAL A 105 1.122 -8.808 -2.120 1.00 0.00 O ATOM 1689 CB VAL A 105 1.324 -8.698 0.745 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.298 -7.574 0.769 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.724 -9.088 2.160 1.00 0.00 C ATOM 0 H VAL A 105 2.701 -10.744 0.121 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.100 -10.283 0.523 1.00 0.00 H new ATOM 0 HB VAL A 105 2.211 -8.338 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.705 -6.721 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.062 -7.275 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.609 -7.920 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.109 -8.213 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.854 -9.475 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.496 -9.856 2.121 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.780 -9.978 -1.863 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.262 -9.712 -3.210 1.00 0.00 C ATOM 1703 C PHE A 106 -2.173 -8.491 -3.226 1.00 0.00 C ATOM 1704 O PHE A 106 -2.211 -7.745 -4.206 1.00 0.00 O ATOM 1705 CB PHE A 106 -2.010 -10.939 -3.746 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.597 -10.750 -5.118 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -1.793 -10.819 -6.246 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -3.953 -10.512 -5.281 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -2.330 -10.652 -7.508 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -4.496 -10.344 -6.541 1.00 0.00 C ATOM 1711 CZ PHE A 106 -3.684 -10.416 -7.655 1.00 0.00 C ATOM 0 H PHE A 106 -1.409 -10.546 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.406 -9.506 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.325 -11.787 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.811 -11.195 -3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.735 -11.005 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.593 -10.457 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -1.693 -10.706 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.554 -10.157 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.106 -10.288 -8.641 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.883 -8.274 -2.128 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.824 -7.171 -2.051 1.00 0.00 C ATOM 1723 C ARG A 107 -3.580 -6.332 -0.805 1.00 0.00 C ATOM 1724 O ARG A 107 -3.846 -6.759 0.321 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.268 -7.682 -2.089 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.295 -6.563 -2.168 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.651 -7.064 -2.638 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.276 -7.967 -1.677 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.477 -9.264 -1.902 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -8.075 -9.812 -3.046 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -9.089 -10.008 -0.991 1.00 0.00 N ATOM 0 H ARG A 107 -2.825 -8.844 -1.284 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.667 -6.534 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.391 -8.341 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.459 -8.280 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.400 -6.098 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.938 -5.791 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.309 -6.213 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.534 -7.578 -3.592 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.576 -7.582 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.612 -9.239 -3.751 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.229 -10.806 -3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.406 -9.587 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.243 -11.001 -1.163 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.057 -5.142 -1.035 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.762 -4.187 0.021 1.00 0.00 C ATOM 1747 C TRP A 108 -3.908 -3.185 0.127 1.00 0.00 C ATOM 1748 O TRP A 108 -4.035 -2.285 -0.698 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.443 -3.484 -0.327 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.926 -2.504 0.685 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.635 -1.807 1.622 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.435 -2.092 0.827 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.795 -0.990 2.337 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.482 -1.150 1.867 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.622 -2.437 0.173 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.668 -0.543 2.265 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.797 -1.835 0.569 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.813 -0.898 1.606 1.00 0.00 C ATOM 0 H TRP A 108 -2.822 -4.806 -1.969 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.659 -4.686 0.984 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.680 -4.246 -0.486 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.573 -2.961 -1.274 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.701 -1.887 1.777 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.075 -0.366 3.094 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.618 -3.162 -0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.685 0.182 3.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.720 -2.091 0.070 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.750 -0.444 1.893 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.748 -3.344 1.134 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.924 -2.499 1.272 1.00 0.00 C ATOM 1771 C VAL A 109 -5.795 -1.568 2.469 1.00 0.00 C ATOM 1772 O VAL A 109 -6.103 -1.943 3.600 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.214 -3.334 1.417 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.438 -2.434 1.447 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.326 -4.344 0.293 1.00 0.00 C ATOM 0 H VAL A 109 -4.640 -4.046 1.866 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.991 -1.906 0.360 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.163 -3.875 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.336 -3.044 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.366 -1.750 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.492 -1.862 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.242 -4.922 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.349 -3.822 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.467 -5.015 0.320 1.00 0.00 H new ATOM 1785 N THR A 110 -5.329 -0.358 2.228 1.00 0.00 N ATOM 1786 CA THR A 110 -5.256 0.629 3.286 1.00 0.00 C ATOM 1787 C THR A 110 -6.582 1.368 3.382 1.00 0.00 C ATOM 1788 O THR A 110 -6.941 2.155 2.501 1.00 0.00 O ATOM 1789 CB THR A 110 -4.102 1.626 3.068 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.853 0.919 3.029 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.063 2.671 4.174 1.00 0.00 C ATOM 0 H THR A 110 -4.998 -0.037 1.318 1.00 0.00 H new ATOM 0 HA THR A 110 -5.056 0.106 4.221 1.00 0.00 H new ATOM 0 HB THR A 110 -4.267 2.137 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.892 0.224 2.339 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.239 3.361 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.003 3.223 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.920 2.178 5.136 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.316 1.083 4.441 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.636 1.648 4.637 1.00 0.00 C ATOM 1801 C ASN A 111 -8.553 2.825 5.596 1.00 0.00 C ATOM 1802 O ASN A 111 -8.581 2.647 6.814 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.588 0.569 5.178 1.00 0.00 C ATOM 1804 CG ASN A 111 -11.055 0.967 5.118 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.409 2.134 5.255 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.920 -0.013 4.915 1.00 0.00 N ATOM 0 H ASN A 111 -7.015 0.456 5.187 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.025 2.005 3.684 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.445 -0.349 4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.322 0.347 6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.919 0.190 4.868 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.588 -0.971 4.806 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.422 4.021 5.035 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.299 5.242 5.825 1.00 0.00 C ATOM 1815 C ILE A 112 -9.585 5.494 6.611 1.00 0.00 C ATOM 1816 O ILE A 112 -9.554 5.962 7.748 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.988 6.465 4.925 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.698 6.230 4.122 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.870 7.740 5.752 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.465 6.025 4.978 1.00 0.00 C ATOM 0 H ILE A 112 -8.398 4.173 4.027 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.470 5.108 6.520 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.818 6.587 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.834 5.356 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.532 7.083 3.463 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.652 8.581 5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.809 7.923 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.065 7.629 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.599 5.866 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.301 6.907 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.607 5.154 5.618 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.709 5.136 6.006 1.00 0.00 N ATOM 1833 CA HIS A 113 -12.017 5.291 6.635 1.00 0.00 C ATOM 1834 C HIS A 113 -12.116 4.448 7.906 1.00 0.00 C ATOM 1835 O HIS A 113 -12.876 4.770 8.820 1.00 0.00 O ATOM 1836 CB HIS A 113 -13.113 4.876 5.646 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.507 5.122 6.134 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -15.329 4.118 6.599 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -15.231 6.262 6.206 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -16.496 4.630 6.940 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -16.462 5.929 6.710 1.00 0.00 N ATOM 0 H HIS A 113 -10.742 4.732 5.070 1.00 0.00 H new ATOM 0 HA HIS A 113 -12.148 6.337 6.910 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.967 5.417 4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -13.001 3.815 5.421 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.901 7.250 5.920 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -17.336 4.080 7.339 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -17.228 6.581 6.880 1.00 0.00 H new ATOM 1850 N GLU A 114 -11.339 3.374 7.955 1.00 0.00 N ATOM 1851 CA GLU A 114 -11.393 2.444 9.071 1.00 0.00 C ATOM 1852 C GLU A 114 -10.123 2.537 9.916 1.00 0.00 C ATOM 1853 O GLU A 114 -10.007 1.881 10.951 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.578 1.027 8.533 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.312 0.095 9.476 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.755 -1.174 8.779 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.607 -1.085 7.869 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -12.254 -2.259 9.128 1.00 0.00 O ATOM 0 H GLU A 114 -10.663 3.126 7.232 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.237 2.701 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.124 1.077 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.598 0.604 8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.664 -0.158 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.182 0.606 9.888 1.00 0.00 H new ATOM 1865 N GLN A 115 -9.180 3.361 9.456 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.917 3.597 10.161 1.00 0.00 C ATOM 1867 C GLN A 115 -7.084 2.318 10.260 1.00 0.00 C ATOM 1868 O GLN A 115 -6.405 2.085 11.263 1.00 0.00 O ATOM 1869 CB GLN A 115 -8.183 4.167 11.560 1.00 0.00 C ATOM 1870 CG GLN A 115 -8.927 5.494 11.547 1.00 0.00 C ATOM 1871 CD GLN A 115 -8.141 6.600 10.869 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -6.912 6.623 10.913 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -8.844 7.517 10.224 1.00 0.00 N ATOM 0 H GLN A 115 -9.269 3.884 8.585 1.00 0.00 H new ATOM 0 HA GLN A 115 -7.346 4.325 9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.760 3.442 12.134 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.232 4.298 12.076 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.881 5.366 11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -9.152 5.790 12.572 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.862 7.463 10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.367 8.278 9.740 1.00 0.00 H new ATOM 1882 N LYS A 116 -7.115 1.504 9.209 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.356 0.256 9.184 1.00 0.00 C ATOM 1884 C LYS A 116 -5.677 0.061 7.834 1.00 0.00 C ATOM 1885 O LYS A 116 -6.093 0.639 6.831 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.259 -0.951 9.432 1.00 0.00 C ATOM 1887 CG LYS A 116 -8.031 -0.926 10.737 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.736 -2.253 10.942 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.891 -2.157 11.922 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.635 -3.442 11.997 1.00 0.00 N ATOM 0 H LYS A 116 -7.657 1.685 8.364 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.611 0.328 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.970 -1.027 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.647 -1.853 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.353 -0.732 11.568 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.759 -0.115 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.107 -2.614 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.018 -2.989 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.513 -1.893 12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.567 -1.359 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.596 -3.267 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.690 -3.867 11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.140 -4.093 12.640 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.638 -0.760 7.815 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.997 -1.164 6.570 1.00 0.00 C ATOM 1906 C ARG A 117 -4.013 -2.687 6.469 1.00 0.00 C ATOM 1907 O ARG A 117 -3.227 -3.369 7.128 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.558 -0.639 6.498 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.431 0.842 6.821 1.00 0.00 C ATOM 1910 CD ARG A 117 -1.043 1.375 6.498 1.00 0.00 C ATOM 1911 NE ARG A 117 -0.870 1.641 5.066 1.00 0.00 N ATOM 1912 CZ ARG A 117 0.281 2.028 4.520 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.377 2.113 5.268 1.00 0.00 N ATOM 1914 NH2 ARG A 117 0.336 2.325 3.225 1.00 0.00 N ATOM 0 H ARG A 117 -4.218 -1.162 8.653 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.549 -0.737 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.938 -1.208 7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.165 -0.819 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.176 1.402 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.645 1.003 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.868 2.293 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.294 0.654 6.825 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.677 1.523 4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.336 1.882 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.259 2.410 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.504 2.256 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.218 2.621 2.807 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.927 -3.204 5.662 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.142 -4.641 5.545 1.00 0.00 C ATOM 1930 C TYR A 118 -4.205 -5.264 4.517 1.00 0.00 C ATOM 1931 O TYR A 118 -3.989 -4.709 3.438 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.590 -4.929 5.136 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.622 -4.698 6.221 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -8.186 -3.444 6.431 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.042 -5.747 7.026 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -9.138 -3.248 7.417 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.992 -5.558 8.012 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.536 -4.309 8.205 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.482 -4.123 9.189 1.00 0.00 O ATOM 0 H TYR A 118 -5.540 -2.642 5.071 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.935 -5.082 6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.840 -4.304 4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.659 -5.965 4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.877 -2.612 5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.619 -6.730 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.567 -2.269 7.569 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.306 -6.387 8.628 1.00 0.00 H new ATOM 0 HH TYR A 118 -11.161 -3.490 8.875 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.657 -6.423 4.854 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.806 -7.167 3.940 1.00 0.00 C ATOM 1951 C TYR A 119 -3.404 -8.547 3.653 1.00 0.00 C ATOM 1952 O TYR A 119 -3.448 -9.416 4.535 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.393 -7.310 4.515 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.668 -5.992 4.693 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.067 -5.358 3.614 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.579 -5.386 5.939 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.602 -4.159 3.771 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.087 -4.185 6.105 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.675 -3.576 5.016 1.00 0.00 C ATOM 1960 OH TYR A 119 1.344 -2.382 5.172 1.00 0.00 O ATOM 0 H TYR A 119 -3.789 -6.870 5.761 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.744 -6.613 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.453 -7.814 5.480 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.806 -7.951 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.123 -5.810 2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.038 -5.861 6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.066 -3.681 2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.146 -3.727 7.081 1.00 0.00 H new ATOM 0 HH TYR A 119 2.260 -2.557 5.473 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.879 -8.720 2.423 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.485 -9.971 1.970 1.00 0.00 C ATOM 1972 C TYR A 120 -3.601 -10.645 0.925 1.00 0.00 C ATOM 1973 O TYR A 120 -2.955 -9.979 0.118 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.860 -9.695 1.354 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.894 -9.193 2.338 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.637 -10.080 3.104 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.132 -7.834 2.497 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.589 -9.632 3.998 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.084 -7.377 3.389 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.808 -8.280 4.137 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.759 -7.831 5.025 1.00 0.00 O ATOM 0 H TYR A 120 -3.855 -7.993 1.708 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.592 -10.630 2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.747 -8.960 0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.229 -10.611 0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.467 -11.141 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.564 -7.123 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.158 -10.338 4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.260 -6.317 3.499 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.346 -7.208 5.659 1.00 0.00 H new ATOM 1991 N THR A 121 -3.575 -11.962 0.958 1.00 0.00 N ATOM 1992 CA THR A 121 -2.917 -12.744 -0.073 1.00 0.00 C ATOM 1993 C THR A 121 -3.927 -13.032 -1.185 1.00 0.00 C ATOM 1994 O THR A 121 -5.056 -12.537 -1.136 1.00 0.00 O ATOM 1995 CB THR A 121 -2.329 -14.063 0.494 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.616 -14.779 -0.524 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.421 -14.951 1.070 1.00 0.00 C ATOM 0 H THR A 121 -4.006 -12.519 1.695 1.00 0.00 H new ATOM 0 HA THR A 121 -2.078 -12.173 -0.471 1.00 0.00 H new ATOM 0 HB THR A 121 -1.639 -13.795 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.828 -14.264 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 121 -2.977 -15.867 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.931 -14.424 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.138 -15.199 0.288 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.524 -13.792 -2.192 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.410 -14.123 -3.305 1.00 0.00 C ATOM 2007 C PHE A 122 -5.690 -14.801 -2.802 1.00 0.00 C ATOM 2008 O PHE A 122 -6.768 -14.610 -3.363 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.679 -15.028 -4.302 1.00 0.00 C ATOM 2010 CG PHE A 122 -4.425 -15.245 -5.591 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -4.439 -14.265 -6.570 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -5.110 -16.427 -5.822 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -5.123 -14.461 -7.755 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -5.796 -16.627 -7.006 1.00 0.00 C ATOM 2015 CZ PHE A 122 -5.802 -15.643 -7.972 1.00 0.00 C ATOM 0 H PHE A 122 -2.589 -14.193 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.695 -13.199 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.705 -14.593 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.495 -15.995 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.910 -13.338 -6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.108 -17.201 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.126 -13.690 -8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.326 -17.553 -7.174 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.337 -15.797 -8.897 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.566 -15.562 -1.718 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.714 -16.245 -1.116 1.00 0.00 C ATOM 2027 C ASP A 123 -7.255 -15.425 0.057 1.00 0.00 C ATOM 2028 O ASP A 123 -7.965 -15.935 0.926 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.305 -17.648 -0.650 1.00 0.00 C ATOM 2030 CG ASP A 123 -7.500 -18.527 -0.341 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -8.230 -18.891 -1.283 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -7.702 -18.881 0.839 1.00 0.00 O ATOM 0 H ASP A 123 -4.682 -15.723 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.502 -16.344 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.699 -18.122 -1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.680 -17.564 0.239 1.00 0.00 H new ATOM 2037 N ASN A 124 -6.909 -14.141 0.050 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.303 -13.171 1.070 1.00 0.00 C ATOM 2039 C ASN A 124 -6.519 -13.429 2.345 1.00 0.00 C ATOM 2040 O ASN A 124 -5.529 -12.760 2.632 1.00 0.00 O ATOM 2041 CB ASN A 124 -8.819 -13.216 1.363 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.680 -13.160 0.114 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -9.286 -12.606 -0.908 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.868 -13.736 0.193 1.00 0.00 N ATOM 0 H ASN A 124 -6.331 -13.734 -0.685 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.077 -12.176 0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.048 -14.130 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.080 -12.380 2.012 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -11.492 -13.730 -0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.160 -14.187 1.060 1.00 0.00 H new ATOM 2051 N SER A 125 -6.957 -14.445 3.054 1.00 0.00 N ATOM 2052 CA SER A 125 -6.388 -14.901 4.330 1.00 0.00 C ATOM 2053 C SER A 125 -6.438 -13.849 5.449 1.00 0.00 C ATOM 2054 O SER A 125 -6.755 -14.185 6.588 1.00 0.00 O ATOM 2055 CB SER A 125 -4.949 -15.384 4.132 1.00 0.00 C ATOM 2056 OG SER A 125 -4.475 -16.049 5.291 1.00 0.00 O ATOM 0 H SER A 125 -7.753 -15.009 2.756 1.00 0.00 H new ATOM 0 HA SER A 125 -7.020 -15.726 4.657 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.902 -16.058 3.276 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.304 -14.535 3.905 1.00 0.00 H new ATOM 0 HG SER A 125 -4.386 -17.007 5.105 1.00 0.00 H new ATOM 2062 N LEU A 126 -6.125 -12.598 5.119 1.00 0.00 N ATOM 2063 CA LEU A 126 -5.928 -11.545 6.108 1.00 0.00 C ATOM 2064 C LEU A 126 -4.729 -11.889 6.980 1.00 0.00 C ATOM 2065 O LEU A 126 -4.867 -12.438 8.074 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.183 -11.309 6.960 1.00 0.00 C ATOM 2067 CG LEU A 126 -7.055 -10.207 8.014 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.676 -8.887 7.361 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.349 -10.066 8.797 1.00 0.00 C ATOM 0 H LEU A 126 -6.001 -12.287 4.156 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.734 -10.611 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.012 -11.061 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.443 -12.241 7.461 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.263 -10.485 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.589 -8.115 8.125 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.722 -8.997 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.445 -8.602 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.239 -9.278 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -9.161 -9.811 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.577 -11.008 9.296 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.550 -11.589 6.460 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.309 -11.948 7.121 1.00 0.00 C ATOM 2083 C LEU A 127 -1.900 -10.886 8.123 1.00 0.00 C ATOM 2084 O LEU A 127 -1.320 -11.190 9.162 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.195 -12.137 6.088 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.399 -13.298 5.117 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.287 -13.316 4.080 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.445 -14.616 5.876 1.00 0.00 C ATOM 0 H LEU A 127 -3.428 -11.095 5.576 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.471 -12.885 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.095 -11.217 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.253 -12.287 6.616 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.350 -13.164 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.443 -14.148 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.294 -12.379 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.675 -13.434 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.591 -15.436 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.507 -14.760 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.270 -14.597 6.588 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.199 -9.638 7.807 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.807 -8.536 8.663 1.00 0.00 C ATOM 2102 C PHE A 128 -2.772 -7.377 8.486 1.00 0.00 C ATOM 2103 O PHE A 128 -3.418 -7.257 7.444 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.378 -8.103 8.326 1.00 0.00 C ATOM 2105 CG PHE A 128 0.503 -7.908 9.526 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.996 -9.000 10.222 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.848 -6.636 9.951 1.00 0.00 C ATOM 2108 CE1 PHE A 128 1.818 -8.827 11.318 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.668 -6.457 11.050 1.00 0.00 C ATOM 2110 CZ PHE A 128 2.154 -7.554 11.732 1.00 0.00 C ATOM 0 H PHE A 128 -2.710 -9.365 6.967 1.00 0.00 H new ATOM 0 HA PHE A 128 -1.838 -8.857 9.704 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.073 -8.852 7.675 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.416 -7.171 7.761 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.734 -9.998 9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.473 -5.775 9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.197 -9.687 11.850 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.928 -5.460 11.374 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.797 -7.416 12.589 1.00 0.00 H new ATOM 2120 N THR A 129 -2.885 -6.546 9.505 1.00 0.00 N ATOM 2121 CA THR A 129 -3.745 -5.376 9.452 1.00 0.00 C ATOM 2122 C THR A 129 -3.366 -4.397 10.560 1.00 0.00 C ATOM 2123 O THR A 129 -3.721 -4.573 11.729 1.00 0.00 O ATOM 2124 CB THR A 129 -5.248 -5.761 9.527 1.00 0.00 C ATOM 2125 OG1 THR A 129 -6.072 -4.590 9.594 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.542 -6.663 10.718 1.00 0.00 C ATOM 0 H THR A 129 -2.387 -6.660 10.388 1.00 0.00 H new ATOM 0 HA THR A 129 -3.594 -4.887 8.490 1.00 0.00 H new ATOM 0 HB THR A 129 -5.481 -6.312 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.879 -4.726 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.604 -6.909 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 129 -4.958 -7.580 10.633 1.00 0.00 H new ATOM 0 HG23 THR A 129 -5.275 -6.147 11.640 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.599 -3.386 10.193 1.00 0.00 N ATOM 2135 CA GLU A 130 -2.141 -2.397 11.153 1.00 0.00 C ATOM 2136 C GLU A 130 -3.121 -1.249 11.257 1.00 0.00 C ATOM 2137 O GLU A 130 -3.496 -0.653 10.250 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.768 -1.854 10.766 1.00 0.00 C ATOM 2139 CG GLU A 130 0.351 -2.855 10.957 1.00 0.00 C ATOM 2140 CD GLU A 130 0.450 -3.341 12.391 1.00 0.00 C ATOM 2141 OE1 GLU A 130 1.075 -2.647 13.218 1.00 0.00 O ATOM 2142 OE2 GLU A 130 -0.116 -4.410 12.704 1.00 0.00 O ATOM 0 H GLU A 130 -2.280 -3.228 9.237 1.00 0.00 H new ATOM 0 HA GLU A 130 -2.068 -2.893 12.121 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.791 -1.541 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.556 -0.966 11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.190 -3.707 10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.297 -2.400 10.664 1.00 0.00 H new ATOM 2149 N SER A 131 -3.536 -0.945 12.470 1.00 0.00 N ATOM 2150 CA SER A 131 -4.398 0.194 12.698 1.00 0.00 C ATOM 2151 C SER A 131 -3.542 1.420 12.988 1.00 0.00 C ATOM 2152 O SER A 131 -2.763 1.434 13.943 1.00 0.00 O ATOM 2153 CB SER A 131 -5.368 -0.079 13.850 1.00 0.00 C ATOM 2154 OG SER A 131 -6.368 0.926 13.929 1.00 0.00 O ATOM 0 H SER A 131 -3.291 -1.469 13.310 1.00 0.00 H new ATOM 0 HA SER A 131 -4.994 0.377 11.804 1.00 0.00 H new ATOM 0 HB2 SER A 131 -5.838 -1.053 13.710 1.00 0.00 H new ATOM 0 HB3 SER A 131 -4.817 -0.122 14.790 1.00 0.00 H new ATOM 0 HG SER A 131 -6.448 1.376 13.062 1.00 0.00 H new ATOM 2160 N ILE A 132 -3.675 2.432 12.147 1.00 0.00 N ATOM 2161 CA ILE A 132 -2.891 3.647 12.287 1.00 0.00 C ATOM 2162 C ILE A 132 -3.485 4.548 13.370 1.00 0.00 C ATOM 2163 O ILE A 132 -4.461 5.264 13.149 1.00 0.00 O ATOM 2164 CB ILE A 132 -2.776 4.402 10.941 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -4.151 4.539 10.271 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.801 3.675 10.020 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -4.133 5.338 8.986 1.00 0.00 C ATOM 0 H ILE A 132 -4.321 2.436 11.358 1.00 0.00 H new ATOM 0 HA ILE A 132 -1.884 3.363 12.591 1.00 0.00 H new ATOM 0 HB ILE A 132 -2.397 5.405 11.136 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.543 3.543 10.062 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -4.839 5.012 10.971 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.725 4.212 9.074 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.819 3.630 10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -2.161 2.663 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -5.141 5.389 8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -3.773 6.346 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.472 4.855 8.267 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.900 4.476 14.556 1.00 0.00 N ATOM 2180 CA GLN A 133 -3.405 5.217 15.699 1.00 0.00 C ATOM 2181 C GLN A 133 -2.815 6.622 15.736 1.00 0.00 C ATOM 2182 O GLN A 133 -1.607 6.810 15.569 1.00 0.00 O ATOM 2183 CB GLN A 133 -3.085 4.468 16.999 1.00 0.00 C ATOM 2184 CG GLN A 133 -3.653 5.130 18.246 1.00 0.00 C ATOM 2185 CD GLN A 133 -5.163 5.268 18.197 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -5.690 6.274 17.723 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -5.867 4.259 18.682 1.00 0.00 N ATOM 0 H GLN A 133 -2.074 3.911 14.751 1.00 0.00 H new ATOM 0 HA GLN A 133 -4.487 5.305 15.602 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -3.476 3.453 16.928 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -2.003 4.386 17.103 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -3.374 4.545 19.122 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -3.205 6.117 18.365 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -5.391 3.443 19.066 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -6.886 4.297 18.672 1.00 0.00 H new