USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1004 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 98 TYR OH : rot 180:sc= 0.0589 USER MOD Set 1.2: A 108 GLN : amide:sc= 1.31 K(o=1.8,f=-4.1!) USER MOD Set 1.3: A 110 THR OG1 : rot -10:sc= 0.47 USER MOD Set 2.1: A 94 THR OG1 : rot 137:sc= 0.00137 USER MOD Set 2.2: A 117 SER OG : rot 180:sc= 0.00119 USER MOD Set 3.1: A 45 THR OG1 : rot -157:sc= 1.28 USER MOD Set 3.2: A 102 SER OG : rot 79:sc= 1.06 USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 1.07 USER MOD Set 4.2: A 86 THR OG1 : rot -72:sc= 1.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.71 (180deg=-0.149) USER MOD Single : A 2 ASN : amide:sc= -0.0483 K(o=-0.048,f=-3.5!) USER MOD Single : A 8 GLN : amide:sc= -1.17! K(o=-1.2!,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 13:sc= 0.899 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -142:sc= -0.154 (180deg=-0.736) USER MOD Single : A 22 LYS NZ :NH3+ -120:sc= -0.313 (180deg=-1.56) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0618 (180deg=-0.318) USER MOD Single : A 34 CYS SG : rot -139:sc= -1.39 USER MOD Single : A 35 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.3!) USER MOD Single : A 37 HIS : no HD1:sc= -1.2! C(o=-1.2!,f=-7!) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.031) USER MOD Single : A 47 TYR OH : rot -34:sc= 0.636 USER MOD Single : A 51 TYR OH : rot 169:sc= -0.771 USER MOD Single : A 53 GLN : amide:sc= 0.024 X(o=0.024,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl -153:sc= -0.331 (180deg=-1.61!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 74 TYR OH : rot 78:sc= 0.615 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0481 USER MOD Single : A 85 TYR OH : rot 17:sc= 1.22 USER MOD Single : A 87 SER OG : rot 66:sc= 0.165 USER MOD Single : A 89 SER OG : rot -49:sc= -1.76! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00081 USER MOD Single : A 92 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.22) USER MOD Single : A 93 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.29) USER MOD Single : A 100 GLN : amide:sc= -0.914 X(o=-0.91,f=-0.82) USER MOD Single : A 105 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.064) USER MOD Single : A 107 GLN : amide:sc= -1.13! C(o=-1.1!,f=-6.6!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.699 USER MOD Single : A 114 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.2) USER MOD Single : A 115 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.4) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 126 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-1.4) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= 0.438 K(o=0.44,f=-4.3!) USER MOD Single : A 129 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-0.09) USER MOD Single : A 130 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.558 -32.951 14.125 1.00 0.00 N ATOM 2 CA MET A 1 -3.753 -32.045 12.971 1.00 0.00 C ATOM 3 C MET A 1 -5.201 -31.555 12.916 1.00 0.00 C ATOM 4 O MET A 1 -5.506 -30.552 12.271 1.00 0.00 O ATOM 5 CB MET A 1 -3.389 -32.773 11.673 1.00 0.00 C ATOM 6 CG MET A 1 -3.305 -31.862 10.458 1.00 0.00 C ATOM 7 SD MET A 1 -2.029 -30.599 10.627 1.00 0.00 S ATOM 8 CE MET A 1 -2.171 -29.760 9.050 1.00 0.00 C ATOM 0 H1 MET A 1 -2.552 -32.967 14.388 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.121 -32.613 14.931 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.863 -33.911 13.868 1.00 0.00 H new ATOM 0 HA MET A 1 -3.101 -31.179 13.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.430 -33.274 11.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.131 -33.549 11.483 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.102 -32.462 9.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.270 -31.380 10.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.444 -28.950 9.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.980 -30.467 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.176 -29.352 8.944 1.00 0.00 H new ATOM 20 N ASN A 2 -6.089 -32.256 13.613 1.00 0.00 N ATOM 21 CA ASN A 2 -7.497 -31.863 13.677 1.00 0.00 C ATOM 22 C ASN A 2 -8.014 -31.980 15.108 1.00 0.00 C ATOM 23 O ASN A 2 -9.209 -31.833 15.369 1.00 0.00 O ATOM 24 CB ASN A 2 -8.349 -32.745 12.750 1.00 0.00 C ATOM 25 CG ASN A 2 -8.449 -34.185 13.230 1.00 0.00 C ATOM 26 OD1 ASN A 2 -7.541 -34.707 13.874 1.00 0.00 O ATOM 27 ND2 ASN A 2 -9.553 -34.840 12.916 1.00 0.00 N ATOM 0 H ASN A 2 -5.862 -33.098 14.142 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.575 -30.827 13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.351 -32.322 12.674 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.920 -32.730 11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.672 -35.810 13.209 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -10.287 -34.376 12.380 1.00 0.00 H new ATOM 34 N ASP A 3 -7.098 -32.219 16.033 1.00 0.00 N ATOM 35 CA ASP A 3 -7.453 -32.525 17.411 1.00 0.00 C ATOM 36 C ASP A 3 -7.508 -31.276 18.285 1.00 0.00 C ATOM 37 O ASP A 3 -6.538 -30.923 18.960 1.00 0.00 O ATOM 38 CB ASP A 3 -6.476 -33.550 17.997 1.00 0.00 C ATOM 39 CG ASP A 3 -5.021 -33.222 17.698 1.00 0.00 C ATOM 40 OD1 ASP A 3 -4.607 -33.337 16.523 1.00 0.00 O ATOM 41 OD2 ASP A 3 -4.274 -32.864 18.634 1.00 0.00 O ATOM 0 H ASP A 3 -6.094 -32.207 15.853 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.456 -32.952 17.401 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.617 -33.602 19.077 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.710 -34.537 17.597 1.00 0.00 H new ATOM 46 N ASP A 4 -8.653 -30.603 18.237 1.00 0.00 N ATOM 47 CA ASP A 4 -8.955 -29.475 19.119 1.00 0.00 C ATOM 48 C ASP A 4 -10.359 -28.966 18.811 1.00 0.00 C ATOM 49 O ASP A 4 -11.013 -29.476 17.900 1.00 0.00 O ATOM 50 CB ASP A 4 -7.936 -28.340 18.968 1.00 0.00 C ATOM 51 CG ASP A 4 -7.975 -27.389 20.150 1.00 0.00 C ATOM 52 OD1 ASP A 4 -7.341 -27.691 21.183 1.00 0.00 O ATOM 53 OD2 ASP A 4 -8.666 -26.356 20.062 1.00 0.00 O ATOM 0 H ASP A 4 -9.403 -30.824 17.582 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.898 -29.822 20.151 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -6.935 -28.760 18.872 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.139 -27.788 18.050 1.00 0.00 H new ATOM 58 N VAL A 5 -10.819 -27.963 19.550 1.00 0.00 N ATOM 59 CA VAL A 5 -12.182 -27.468 19.397 1.00 0.00 C ATOM 60 C VAL A 5 -12.223 -25.966 19.121 1.00 0.00 C ATOM 61 O VAL A 5 -13.050 -25.496 18.338 1.00 0.00 O ATOM 62 CB VAL A 5 -13.046 -27.779 20.642 1.00 0.00 C ATOM 63 CG1 VAL A 5 -13.358 -29.264 20.716 1.00 0.00 C ATOM 64 CG2 VAL A 5 -12.354 -27.320 21.919 1.00 0.00 C ATOM 0 H VAL A 5 -10.270 -27.478 20.259 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.595 -27.991 18.535 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.982 -27.228 20.547 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.966 -29.464 21.598 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.904 -29.566 19.822 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.428 -29.828 20.781 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.984 -27.551 22.778 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.399 -27.835 22.021 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.183 -26.244 21.874 1.00 0.00 H new ATOM 74 N ASP A 6 -11.334 -25.212 19.752 1.00 0.00 N ATOM 75 CA ASP A 6 -11.366 -23.758 19.642 1.00 0.00 C ATOM 76 C ASP A 6 -10.163 -23.228 18.877 1.00 0.00 C ATOM 77 O ASP A 6 -10.247 -22.167 18.254 1.00 0.00 O ATOM 78 CB ASP A 6 -11.454 -23.103 21.029 1.00 0.00 C ATOM 79 CG ASP A 6 -10.299 -23.465 21.944 1.00 0.00 C ATOM 80 OD1 ASP A 6 -10.172 -24.656 22.299 1.00 0.00 O ATOM 81 OD2 ASP A 6 -9.529 -22.562 22.332 1.00 0.00 O ATOM 0 H ASP A 6 -10.586 -25.578 20.342 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.261 -23.495 19.079 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.487 -22.020 20.909 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.390 -23.399 21.503 1.00 0.00 H new ATOM 86 N ILE A 7 -9.060 -23.981 18.903 1.00 0.00 N ATOM 87 CA ILE A 7 -7.820 -23.581 18.239 1.00 0.00 C ATOM 88 C ILE A 7 -7.154 -22.441 19.012 1.00 0.00 C ATOM 89 O ILE A 7 -7.834 -21.611 19.614 1.00 0.00 O ATOM 90 CB ILE A 7 -8.065 -23.167 16.762 1.00 0.00 C ATOM 91 CG1 ILE A 7 -8.701 -24.329 15.992 1.00 0.00 C ATOM 92 CG2 ILE A 7 -6.769 -22.739 16.089 1.00 0.00 C ATOM 93 CD1 ILE A 7 -9.046 -23.992 14.557 1.00 0.00 C ATOM 0 H ILE A 7 -9.003 -24.880 19.382 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.154 -24.443 18.229 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.745 -22.316 16.755 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.017 -25.178 16.002 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.607 -24.644 16.510 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.972 -22.455 15.056 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.345 -21.888 16.623 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.060 -23.567 16.105 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.492 -24.863 14.076 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.755 -23.164 14.538 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.140 -23.706 14.022 1.00 0.00 H new ATOM 105 N GLN A 8 -5.825 -22.416 19.004 1.00 0.00 N ATOM 106 CA GLN A 8 -5.060 -21.439 19.773 1.00 0.00 C ATOM 107 C GLN A 8 -5.469 -20.004 19.447 1.00 0.00 C ATOM 108 O GLN A 8 -6.062 -19.732 18.401 1.00 0.00 O ATOM 109 CB GLN A 8 -3.565 -21.616 19.517 1.00 0.00 C ATOM 110 CG GLN A 8 -3.023 -22.958 19.980 1.00 0.00 C ATOM 111 CD GLN A 8 -1.523 -23.080 19.783 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.006 -24.169 19.533 1.00 0.00 O ATOM 113 NE2 GLN A 8 -0.813 -21.969 19.910 1.00 0.00 N ATOM 0 H GLN A 8 -5.251 -23.067 18.469 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.277 -21.618 20.826 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.372 -21.504 18.450 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.021 -20.819 20.025 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.260 -23.097 21.035 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.524 -23.757 19.433 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.280 -21.086 20.118 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.201 -21.996 19.800 1.00 0.00 H new ATOM 122 N GLN A 9 -5.111 -19.088 20.341 1.00 0.00 N ATOM 123 CA GLN A 9 -5.493 -17.680 20.223 1.00 0.00 C ATOM 124 C GLN A 9 -4.737 -16.983 19.092 1.00 0.00 C ATOM 125 O GLN A 9 -4.894 -15.778 18.875 1.00 0.00 O ATOM 126 CB GLN A 9 -5.237 -16.950 21.545 1.00 0.00 C ATOM 127 CG GLN A 9 -3.779 -16.967 21.978 1.00 0.00 C ATOM 128 CD GLN A 9 -3.557 -16.294 23.316 1.00 0.00 C ATOM 129 OE1 GLN A 9 -4.268 -15.359 23.680 1.00 0.00 O ATOM 130 NE2 GLN A 9 -2.573 -16.767 24.061 1.00 0.00 N ATOM 0 H GLN A 9 -4.549 -19.297 21.166 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.557 -17.646 19.988 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.567 -15.916 21.449 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.845 -17.407 22.326 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.433 -17.999 22.034 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.174 -16.469 21.221 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.006 -17.544 23.723 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.381 -16.355 24.974 1.00 0.00 H new ATOM 139 N SER A 10 -3.923 -17.743 18.374 1.00 0.00 N ATOM 140 CA SER A 10 -3.176 -17.220 17.242 1.00 0.00 C ATOM 141 C SER A 10 -4.093 -17.019 16.035 1.00 0.00 C ATOM 142 O SER A 10 -3.910 -17.640 14.988 1.00 0.00 O ATOM 143 CB SER A 10 -2.037 -18.177 16.890 1.00 0.00 C ATOM 144 OG SER A 10 -1.217 -18.420 18.021 1.00 0.00 O ATOM 0 H SER A 10 -3.763 -18.733 18.559 1.00 0.00 H new ATOM 0 HA SER A 10 -2.758 -16.251 17.515 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.447 -19.118 16.523 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.437 -17.755 16.084 1.00 0.00 H new ATOM 0 HG SER A 10 -0.495 -19.036 17.776 1.00 0.00 H new ATOM 150 N TYR A 11 -5.089 -16.161 16.199 1.00 0.00 N ATOM 151 CA TYR A 11 -6.014 -15.854 15.124 1.00 0.00 C ATOM 152 C TYR A 11 -5.470 -14.710 14.283 1.00 0.00 C ATOM 153 O TYR A 11 -5.276 -13.596 14.783 1.00 0.00 O ATOM 154 CB TYR A 11 -7.395 -15.491 15.679 1.00 0.00 C ATOM 155 CG TYR A 11 -8.011 -16.569 16.547 1.00 0.00 C ATOM 156 CD1 TYR A 11 -8.425 -17.778 15.999 1.00 0.00 C ATOM 157 CD2 TYR A 11 -8.177 -16.377 17.913 1.00 0.00 C ATOM 158 CE1 TYR A 11 -8.987 -18.764 16.789 1.00 0.00 C ATOM 159 CE2 TYR A 11 -8.739 -17.359 18.707 1.00 0.00 C ATOM 160 CZ TYR A 11 -9.141 -18.549 18.143 1.00 0.00 C ATOM 161 OH TYR A 11 -9.705 -19.525 18.933 1.00 0.00 O ATOM 0 H TYR A 11 -5.276 -15.665 17.070 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.121 -16.740 14.498 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.312 -14.573 16.261 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.066 -15.281 14.846 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -8.306 -17.950 14.939 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.862 -15.446 18.361 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.304 -19.698 16.348 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.862 -17.193 19.767 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.748 -20.367 18.433 1.00 0.00 H new ATOM 171 N PRO A 12 -5.209 -14.975 12.998 1.00 0.00 N ATOM 172 CA PRO A 12 -4.629 -13.987 12.095 1.00 0.00 C ATOM 173 C PRO A 12 -5.633 -12.929 11.657 1.00 0.00 C ATOM 174 O PRO A 12 -6.843 -13.170 11.620 1.00 0.00 O ATOM 175 CB PRO A 12 -4.181 -14.828 10.901 1.00 0.00 C ATOM 176 CG PRO A 12 -5.119 -15.986 10.884 1.00 0.00 C ATOM 177 CD PRO A 12 -5.461 -16.265 12.325 1.00 0.00 C ATOM 0 HA PRO A 12 -3.824 -13.425 12.569 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.236 -14.259 9.973 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.148 -15.156 11.013 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.015 -15.754 10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.657 -16.856 10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.499 -16.580 12.437 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.840 -17.060 12.738 1.00 0.00 H new ATOM 185 N PHE A 13 -5.122 -11.752 11.339 1.00 0.00 N ATOM 186 CA PHE A 13 -5.944 -10.686 10.796 1.00 0.00 C ATOM 187 C PHE A 13 -6.155 -10.913 9.310 1.00 0.00 C ATOM 188 O PHE A 13 -5.647 -11.883 8.745 1.00 0.00 O ATOM 189 CB PHE A 13 -5.300 -9.319 11.038 1.00 0.00 C ATOM 190 CG PHE A 13 -5.354 -8.872 12.473 1.00 0.00 C ATOM 191 CD1 PHE A 13 -4.386 -9.271 13.377 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.377 -8.047 12.912 1.00 0.00 C ATOM 193 CE1 PHE A 13 -4.435 -8.858 14.693 1.00 0.00 C ATOM 194 CE2 PHE A 13 -6.432 -7.631 14.228 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.460 -8.037 15.119 1.00 0.00 C ATOM 0 H PHE A 13 -4.137 -11.510 11.448 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.908 -10.697 11.304 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.259 -9.355 10.717 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.800 -8.576 10.416 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.582 -9.913 13.049 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.139 -7.726 12.218 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.673 -9.177 15.389 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.235 -6.989 14.559 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.501 -7.713 16.148 1.00 0.00 H new ATOM 205 N SER A 14 -6.899 -10.032 8.676 1.00 0.00 N ATOM 206 CA SER A 14 -7.154 -10.159 7.259 1.00 0.00 C ATOM 207 C SER A 14 -7.130 -8.790 6.595 1.00 0.00 C ATOM 208 O SER A 14 -7.993 -7.952 6.844 1.00 0.00 O ATOM 209 CB SER A 14 -8.502 -10.848 7.033 1.00 0.00 C ATOM 210 OG SER A 14 -8.687 -11.219 5.676 1.00 0.00 O ATOM 0 H SER A 14 -7.336 -9.223 9.118 1.00 0.00 H new ATOM 0 HA SER A 14 -6.372 -10.770 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.566 -11.735 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.307 -10.180 7.339 1.00 0.00 H new ATOM 0 HG SER A 14 -9.557 -11.657 5.572 1.00 0.00 H new ATOM 216 N ILE A 15 -6.108 -8.555 5.797 1.00 0.00 N ATOM 217 CA ILE A 15 -6.034 -7.354 4.986 1.00 0.00 C ATOM 218 C ILE A 15 -6.252 -7.728 3.533 1.00 0.00 C ATOM 219 O ILE A 15 -5.386 -8.339 2.905 1.00 0.00 O ATOM 220 CB ILE A 15 -4.682 -6.603 5.120 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.501 -6.021 6.525 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.588 -5.487 4.090 1.00 0.00 C ATOM 223 CD1 ILE A 15 -4.207 -7.048 7.595 1.00 0.00 C ATOM 0 H ILE A 15 -5.312 -9.184 5.692 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.809 -6.677 5.345 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.887 -7.327 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.688 -5.295 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.405 -5.478 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.634 -4.971 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.660 -5.910 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.403 -4.779 4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.094 -6.549 8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.030 -7.761 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.285 -7.576 7.349 1.00 0.00 H new ATOM 235 N GLU A 16 -7.420 -7.397 3.022 1.00 0.00 N ATOM 236 CA GLU A 16 -7.752 -7.686 1.641 1.00 0.00 C ATOM 237 C GLU A 16 -7.598 -6.428 0.805 1.00 0.00 C ATOM 238 O GLU A 16 -7.680 -5.314 1.326 1.00 0.00 O ATOM 239 CB GLU A 16 -9.182 -8.222 1.536 1.00 0.00 C ATOM 240 CG GLU A 16 -10.232 -7.234 2.007 1.00 0.00 C ATOM 241 CD GLU A 16 -11.639 -7.775 1.891 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.118 -8.408 2.854 1.00 0.00 O ATOM 243 OE2 GLU A 16 -12.283 -7.556 0.844 1.00 0.00 O ATOM 0 H GLU A 16 -8.158 -6.926 3.544 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.072 -8.450 1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.386 -8.491 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.264 -9.136 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.034 -6.968 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.151 -6.318 1.422 1.00 0.00 H new ATOM 250 N THR A 17 -7.365 -6.601 -0.478 1.00 0.00 N ATOM 251 CA THR A 17 -7.204 -5.476 -1.377 1.00 0.00 C ATOM 252 C THR A 17 -8.279 -5.495 -2.458 1.00 0.00 C ATOM 253 O THR A 17 -8.950 -6.510 -2.668 1.00 0.00 O ATOM 254 CB THR A 17 -5.812 -5.495 -2.041 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.617 -6.735 -2.733 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.710 -5.310 -1.007 1.00 0.00 C ATOM 0 H THR A 17 -7.282 -7.514 -0.925 1.00 0.00 H new ATOM 0 HA THR A 17 -7.302 -4.565 -0.787 1.00 0.00 H new ATOM 0 HB THR A 17 -5.764 -4.668 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.732 -6.739 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.739 -5.327 -1.503 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.842 -4.353 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.758 -6.117 -0.275 1.00 0.00 H new ATOM 264 N MET A 18 -8.475 -4.366 -3.116 1.00 0.00 N ATOM 265 CA MET A 18 -9.334 -4.326 -4.286 1.00 0.00 C ATOM 266 C MET A 18 -8.508 -4.695 -5.510 1.00 0.00 C ATOM 267 O MET A 18 -7.341 -4.310 -5.601 1.00 0.00 O ATOM 268 CB MET A 18 -9.973 -2.944 -4.461 1.00 0.00 C ATOM 269 CG MET A 18 -8.980 -1.838 -4.777 1.00 0.00 C ATOM 270 SD MET A 18 -9.773 -0.236 -5.013 1.00 0.00 S ATOM 271 CE MET A 18 -10.832 -0.576 -6.418 1.00 0.00 C ATOM 0 H MET A 18 -8.055 -3.472 -2.863 1.00 0.00 H new ATOM 0 HA MET A 18 -10.146 -5.041 -4.158 1.00 0.00 H new ATOM 0 HB2 MET A 18 -10.711 -2.995 -5.262 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.510 -2.686 -3.549 1.00 0.00 H new ATOM 0 HG2 MET A 18 -8.255 -1.764 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A 18 -8.425 -2.100 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 18 -10.850 0.291 -7.078 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.448 -1.439 -6.963 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.843 -0.787 -6.069 1.00 0.00 H new ATOM 281 N PRO A 19 -9.093 -5.462 -6.449 1.00 0.00 N ATOM 282 CA PRO A 19 -8.391 -5.942 -7.646 1.00 0.00 C ATOM 283 C PRO A 19 -7.576 -4.852 -8.333 1.00 0.00 C ATOM 284 O PRO A 19 -8.127 -3.868 -8.830 1.00 0.00 O ATOM 285 CB PRO A 19 -9.533 -6.409 -8.547 1.00 0.00 C ATOM 286 CG PRO A 19 -10.590 -6.850 -7.602 1.00 0.00 C ATOM 287 CD PRO A 19 -10.495 -5.926 -6.418 1.00 0.00 C ATOM 0 HA PRO A 19 -7.663 -6.718 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.886 -5.604 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.217 -7.223 -9.199 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.576 -6.793 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.438 -7.887 -7.302 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.194 -5.094 -6.502 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.725 -6.443 -5.487 1.00 0.00 H new ATOM 295 N VAL A 20 -6.264 -5.031 -8.343 1.00 0.00 N ATOM 296 CA VAL A 20 -5.363 -4.052 -8.928 1.00 0.00 C ATOM 297 C VAL A 20 -5.176 -4.298 -10.421 1.00 0.00 C ATOM 298 O VAL A 20 -5.304 -5.432 -10.893 1.00 0.00 O ATOM 299 CB VAL A 20 -3.983 -4.065 -8.230 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.109 -3.631 -6.778 1.00 0.00 C ATOM 301 CG2 VAL A 20 -3.338 -5.442 -8.316 1.00 0.00 C ATOM 0 H VAL A 20 -5.799 -5.849 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.821 -3.074 -8.783 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.341 -3.354 -8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.126 -3.648 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.515 -2.621 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.776 -4.313 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.369 -5.422 -7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.981 -6.176 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.202 -5.715 -9.362 1.00 0.00 H new ATOM 311 N PRO A 21 -4.890 -3.233 -11.188 1.00 0.00 N ATOM 312 CA PRO A 21 -4.599 -3.345 -12.617 1.00 0.00 C ATOM 313 C PRO A 21 -3.256 -4.025 -12.865 1.00 0.00 C ATOM 314 O PRO A 21 -2.465 -4.211 -11.942 1.00 0.00 O ATOM 315 CB PRO A 21 -4.562 -1.890 -13.089 1.00 0.00 C ATOM 316 CG PRO A 21 -4.208 -1.104 -11.877 1.00 0.00 C ATOM 317 CD PRO A 21 -4.826 -1.836 -10.719 1.00 0.00 C ATOM 0 HA PRO A 21 -5.335 -3.952 -13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.825 -1.750 -13.880 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.526 -1.581 -13.493 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.127 -1.030 -11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.591 -0.086 -11.945 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.221 -1.743 -9.817 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.816 -1.447 -10.481 1.00 0.00 H new ATOM 325 N LYS A 22 -3.004 -4.409 -14.106 1.00 0.00 N ATOM 326 CA LYS A 22 -1.753 -5.072 -14.449 1.00 0.00 C ATOM 327 C LYS A 22 -0.848 -4.150 -15.257 1.00 0.00 C ATOM 328 O LYS A 22 0.171 -4.585 -15.797 1.00 0.00 O ATOM 329 CB LYS A 22 -2.026 -6.352 -15.241 1.00 0.00 C ATOM 330 CG LYS A 22 -3.005 -7.296 -14.564 1.00 0.00 C ATOM 331 CD LYS A 22 -3.103 -8.639 -15.279 1.00 0.00 C ATOM 332 CE LYS A 22 -3.505 -8.499 -16.745 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.334 -8.274 -17.634 1.00 0.00 N ATOM 0 H LYS A 22 -3.644 -4.275 -14.889 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.246 -5.328 -13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.415 -6.084 -16.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.084 -6.876 -15.403 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.695 -7.458 -13.532 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.991 -6.832 -14.531 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.142 -9.150 -15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.831 -9.267 -14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.031 -9.399 -17.062 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.203 -7.668 -16.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.442 -7.365 -18.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.464 -8.258 -17.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.276 -9.042 -18.333 1.00 0.00 H new ATOM 347 N LYS A 23 -1.227 -2.881 -15.346 1.00 0.00 N ATOM 348 CA LYS A 23 -0.451 -1.904 -16.101 1.00 0.00 C ATOM 349 C LYS A 23 -0.866 -0.484 -15.731 1.00 0.00 C ATOM 350 O LYS A 23 -1.977 -0.263 -15.236 1.00 0.00 O ATOM 351 CB LYS A 23 -0.624 -2.126 -17.609 1.00 0.00 C ATOM 352 CG LYS A 23 -2.043 -1.920 -18.109 1.00 0.00 C ATOM 353 CD LYS A 23 -2.117 -2.102 -19.612 1.00 0.00 C ATOM 354 CE LYS A 23 -3.500 -1.783 -20.148 1.00 0.00 C ATOM 355 NZ LYS A 23 -3.571 -1.978 -21.618 1.00 0.00 N ATOM 0 H LYS A 23 -2.066 -2.504 -14.905 1.00 0.00 H new ATOM 0 HA LYS A 23 0.600 -2.038 -15.846 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.040 -1.447 -18.144 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.308 -3.140 -17.854 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.712 -2.628 -17.619 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.386 -0.920 -17.842 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.382 -1.457 -20.093 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.855 -3.129 -19.868 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.237 -2.420 -19.659 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.758 -0.752 -19.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.529 -1.752 -21.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.884 -1.352 -22.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.349 -2.968 -21.848 1.00 0.00 H new ATOM 369 N LEU A 24 0.028 0.466 -15.982 1.00 0.00 N ATOM 370 CA LEU A 24 -0.195 1.866 -15.633 1.00 0.00 C ATOM 371 C LEU A 24 0.381 2.782 -16.709 1.00 0.00 C ATOM 372 O LEU A 24 1.087 2.332 -17.604 1.00 0.00 O ATOM 373 CB LEU A 24 0.446 2.192 -14.281 1.00 0.00 C ATOM 374 CG LEU A 24 -0.204 1.527 -13.065 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.614 1.796 -11.813 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.632 2.023 -12.881 1.00 0.00 C ATOM 0 H LEU A 24 0.926 0.289 -16.432 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.270 2.031 -15.564 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.495 1.898 -14.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.422 3.272 -14.138 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.233 0.451 -13.238 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.138 1.316 -10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.619 1.394 -11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.672 2.871 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.076 1.538 -12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.626 3.103 -12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.218 1.784 -13.769 1.00 0.00 H new ATOM 388 N LYS A 25 0.060 4.064 -16.639 1.00 0.00 N ATOM 389 CA LYS A 25 0.579 5.030 -17.599 1.00 0.00 C ATOM 390 C LYS A 25 1.303 6.164 -16.887 1.00 0.00 C ATOM 391 O LYS A 25 1.169 6.334 -15.674 1.00 0.00 O ATOM 392 CB LYS A 25 -0.550 5.590 -18.465 1.00 0.00 C ATOM 393 CG LYS A 25 -1.167 4.557 -19.394 1.00 0.00 C ATOM 394 CD LYS A 25 -2.300 5.145 -20.213 1.00 0.00 C ATOM 395 CE LYS A 25 -2.800 4.160 -21.256 1.00 0.00 C ATOM 396 NZ LYS A 25 -1.757 3.853 -22.271 1.00 0.00 N ATOM 0 H LYS A 25 -0.556 4.461 -15.930 1.00 0.00 H new ATOM 0 HA LYS A 25 1.291 4.514 -18.243 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.327 5.996 -17.818 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.165 6.419 -19.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.400 4.165 -20.062 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.539 3.717 -18.808 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.121 5.426 -19.553 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.960 6.057 -20.705 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.112 3.238 -20.765 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.680 4.571 -21.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.204 3.438 -23.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.263 4.729 -22.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.074 3.178 -21.873 1.00 0.00 H new ATOM 410 N VAL A 26 2.068 6.940 -17.642 1.00 0.00 N ATOM 411 CA VAL A 26 2.771 8.086 -17.085 1.00 0.00 C ATOM 412 C VAL A 26 1.769 9.147 -16.644 1.00 0.00 C ATOM 413 O VAL A 26 1.085 9.747 -17.472 1.00 0.00 O ATOM 414 CB VAL A 26 3.753 8.707 -18.104 1.00 0.00 C ATOM 415 CG1 VAL A 26 4.536 9.852 -17.474 1.00 0.00 C ATOM 416 CG2 VAL A 26 4.699 7.649 -18.653 1.00 0.00 C ATOM 0 H VAL A 26 2.217 6.797 -18.641 1.00 0.00 H new ATOM 0 HA VAL A 26 3.345 7.733 -16.229 1.00 0.00 H new ATOM 0 HB VAL A 26 3.171 9.109 -18.933 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.221 10.273 -18.210 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.844 10.624 -17.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.104 9.479 -16.622 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.382 8.107 -19.368 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.271 7.212 -17.834 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.123 6.869 -19.150 1.00 0.00 H new ATOM 426 N GLY A 27 1.673 9.357 -15.341 1.00 0.00 N ATOM 427 CA GLY A 27 0.727 10.321 -14.816 1.00 0.00 C ATOM 428 C GLY A 27 -0.548 9.658 -14.330 1.00 0.00 C ATOM 429 O GLY A 27 -1.470 10.330 -13.862 1.00 0.00 O ATOM 0 H GLY A 27 2.233 8.877 -14.636 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.187 10.870 -13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.485 11.050 -15.589 1.00 0.00 H new ATOM 433 N GLU A 28 -0.600 8.338 -14.449 1.00 0.00 N ATOM 434 CA GLU A 28 -1.747 7.569 -13.987 1.00 0.00 C ATOM 435 C GLU A 28 -1.592 7.267 -12.504 1.00 0.00 C ATOM 436 O GLU A 28 -0.486 6.995 -12.033 1.00 0.00 O ATOM 437 CB GLU A 28 -1.880 6.262 -14.781 1.00 0.00 C ATOM 438 CG GLU A 28 -3.084 5.417 -14.388 1.00 0.00 C ATOM 439 CD GLU A 28 -4.398 6.109 -14.676 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.846 6.924 -13.840 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.988 5.848 -15.742 1.00 0.00 O ATOM 0 H GLU A 28 0.143 7.776 -14.864 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.651 8.157 -14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.947 6.499 -15.843 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.974 5.672 -14.643 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.050 4.470 -14.927 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.027 5.181 -13.325 1.00 0.00 H new ATOM 448 N THR A 29 -2.690 7.323 -11.775 1.00 0.00 N ATOM 449 CA THR A 29 -2.665 7.057 -10.350 1.00 0.00 C ATOM 450 C THR A 29 -3.516 5.837 -10.015 1.00 0.00 C ATOM 451 O THR A 29 -4.732 5.842 -10.208 1.00 0.00 O ATOM 452 CB THR A 29 -3.155 8.281 -9.550 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.313 9.412 -9.827 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.150 8.002 -8.053 1.00 0.00 C ATOM 0 H THR A 29 -3.612 7.551 -12.147 1.00 0.00 H new ATOM 0 HA THR A 29 -1.632 6.852 -10.067 1.00 0.00 H new ATOM 0 HB THR A 29 -4.179 8.495 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.629 10.188 -9.318 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.501 8.884 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.809 7.161 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.137 7.761 -7.731 1.00 0.00 H new ATOM 462 N ALA A 30 -2.862 4.787 -9.542 1.00 0.00 N ATOM 463 CA ALA A 30 -3.545 3.567 -9.156 1.00 0.00 C ATOM 464 C ALA A 30 -4.100 3.695 -7.746 1.00 0.00 C ATOM 465 O ALA A 30 -3.365 4.015 -6.808 1.00 0.00 O ATOM 466 CB ALA A 30 -2.599 2.378 -9.250 1.00 0.00 C ATOM 0 H ALA A 30 -1.850 4.758 -9.416 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.377 3.402 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.126 1.470 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.243 2.276 -10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.750 2.535 -8.585 1.00 0.00 H new ATOM 472 N GLU A 31 -5.395 3.459 -7.611 1.00 0.00 N ATOM 473 CA GLU A 31 -6.065 3.532 -6.322 1.00 0.00 C ATOM 474 C GLU A 31 -6.120 2.148 -5.691 1.00 0.00 C ATOM 475 O GLU A 31 -6.931 1.303 -6.085 1.00 0.00 O ATOM 476 CB GLU A 31 -7.480 4.096 -6.496 1.00 0.00 C ATOM 477 CG GLU A 31 -7.791 5.288 -5.603 1.00 0.00 C ATOM 478 CD GLU A 31 -7.970 4.912 -4.146 1.00 0.00 C ATOM 479 OE1 GLU A 31 -6.970 4.583 -3.481 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.120 4.966 -3.659 1.00 0.00 O ATOM 0 H GLU A 31 -6.009 3.213 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.505 4.197 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.616 4.391 -7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.202 3.305 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.985 6.017 -5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.699 5.774 -5.960 1.00 0.00 H new ATOM 487 N ILE A 32 -5.234 1.904 -4.743 1.00 0.00 N ATOM 488 CA ILE A 32 -5.167 0.610 -4.090 1.00 0.00 C ATOM 489 C ILE A 32 -5.778 0.692 -2.700 1.00 0.00 C ATOM 490 O ILE A 32 -5.144 1.152 -1.751 1.00 0.00 O ATOM 491 CB ILE A 32 -3.716 0.092 -3.990 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.064 0.064 -5.380 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.692 -1.296 -3.357 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.613 -0.366 -5.364 1.00 0.00 C ATOM 0 H ILE A 32 -4.552 2.584 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.734 -0.094 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.145 0.769 -3.355 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.627 -0.613 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.134 1.057 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.663 -1.649 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.122 -1.247 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.274 -1.985 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.221 -0.361 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.036 0.325 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.536 -1.371 -4.950 1.00 0.00 H new ATOM 506 N ARG A 33 -7.020 0.261 -2.585 1.00 0.00 N ATOM 507 CA ARG A 33 -7.707 0.281 -1.311 1.00 0.00 C ATOM 508 C ARG A 33 -7.526 -1.042 -0.590 1.00 0.00 C ATOM 509 O ARG A 33 -7.792 -2.111 -1.147 1.00 0.00 O ATOM 510 CB ARG A 33 -9.189 0.581 -1.514 1.00 0.00 C ATOM 511 CG ARG A 33 -9.428 1.902 -2.217 1.00 0.00 C ATOM 512 CD ARG A 33 -10.890 2.111 -2.541 1.00 0.00 C ATOM 513 NE ARG A 33 -11.088 3.298 -3.360 1.00 0.00 N ATOM 514 CZ ARG A 33 -12.129 3.488 -4.160 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.068 2.555 -4.267 1.00 0.00 N ATOM 516 NH2 ARG A 33 -12.219 4.604 -4.870 1.00 0.00 N ATOM 0 H ARG A 33 -7.572 -0.107 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.275 1.070 -0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.642 -0.222 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.689 0.594 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.076 2.718 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.844 1.935 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.277 1.237 -3.065 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.459 2.206 -1.616 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.380 4.031 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.990 1.689 -3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.867 2.704 -4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.489 5.313 -4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.018 4.753 -5.486 1.00 0.00 H new ATOM 530 N CYS A 34 -7.060 -0.960 0.641 1.00 0.00 N ATOM 531 CA CYS A 34 -6.844 -2.142 1.451 1.00 0.00 C ATOM 532 C CYS A 34 -7.795 -2.116 2.636 1.00 0.00 C ATOM 533 O CYS A 34 -8.054 -1.054 3.203 1.00 0.00 O ATOM 534 CB CYS A 34 -5.394 -2.198 1.929 1.00 0.00 C ATOM 535 SG CYS A 34 -4.176 -2.107 0.594 1.00 0.00 S ATOM 0 H CYS A 34 -6.823 -0.082 1.103 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.039 -3.033 0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.219 -1.376 2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.241 -3.123 2.485 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.209 -2.943 0.831 1.00 0.00 H new ATOM 541 N GLN A 35 -8.326 -3.266 3.000 1.00 0.00 N ATOM 542 CA GLN A 35 -9.313 -3.331 4.058 1.00 0.00 C ATOM 543 C GLN A 35 -8.769 -4.147 5.218 1.00 0.00 C ATOM 544 O GLN A 35 -8.546 -5.355 5.091 1.00 0.00 O ATOM 545 CB GLN A 35 -10.610 -3.953 3.529 1.00 0.00 C ATOM 546 CG GLN A 35 -11.884 -3.357 4.117 1.00 0.00 C ATOM 547 CD GLN A 35 -11.911 -3.376 5.632 1.00 0.00 C ATOM 548 OE1 GLN A 35 -11.506 -2.417 6.285 1.00 0.00 O ATOM 549 NE2 GLN A 35 -12.392 -4.468 6.198 1.00 0.00 N ATOM 0 H GLN A 35 -8.091 -4.165 2.580 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.530 -2.322 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.637 -3.838 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.596 -5.023 3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.989 -2.329 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.744 -3.910 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.718 -5.242 5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.438 -4.538 7.215 1.00 0.00 H new ATOM 558 N LEU A 36 -8.539 -3.482 6.337 1.00 0.00 N ATOM 559 CA LEU A 36 -8.080 -4.153 7.540 1.00 0.00 C ATOM 560 C LEU A 36 -9.263 -4.737 8.290 1.00 0.00 C ATOM 561 O LEU A 36 -10.177 -4.015 8.683 1.00 0.00 O ATOM 562 CB LEU A 36 -7.334 -3.190 8.463 1.00 0.00 C ATOM 563 CG LEU A 36 -6.874 -3.810 9.783 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.463 -4.358 9.666 1.00 0.00 C ATOM 565 CD2 LEU A 36 -6.977 -2.804 10.911 1.00 0.00 C ATOM 0 H LEU A 36 -8.663 -2.475 6.437 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.398 -4.947 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.463 -2.801 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.981 -2.340 8.681 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.535 -4.645 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.161 -4.793 10.619 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.433 -5.125 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.780 -3.550 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.645 -3.265 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.348 -1.942 10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.012 -2.480 11.016 1.00 0.00 H new ATOM 577 N HIS A 37 -9.255 -6.040 8.476 1.00 0.00 N ATOM 578 CA HIS A 37 -10.292 -6.681 9.261 1.00 0.00 C ATOM 579 C HIS A 37 -10.021 -6.478 10.738 1.00 0.00 C ATOM 580 O HIS A 37 -9.136 -7.110 11.313 1.00 0.00 O ATOM 581 CB HIS A 37 -10.396 -8.172 8.941 1.00 0.00 C ATOM 582 CG HIS A 37 -11.005 -8.468 7.603 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.620 -9.666 7.310 1.00 0.00 N ATOM 584 CD2 HIS A 37 -11.083 -7.724 6.472 1.00 0.00 C ATOM 585 CE1 HIS A 37 -12.042 -9.648 6.063 1.00 0.00 C ATOM 586 NE2 HIS A 37 -11.731 -8.484 5.531 1.00 0.00 N ATOM 0 H HIS A 37 -8.549 -6.673 8.099 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.245 -6.220 9.003 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.399 -8.612 8.980 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.990 -8.659 9.715 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -10.706 -6.721 6.337 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.557 -10.453 5.560 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -11.938 -8.195 4.575 1.00 0.00 H new ATOM 595 N ARG A 38 -10.773 -5.564 11.328 1.00 0.00 N ATOM 596 CA ARG A 38 -10.624 -5.224 12.727 1.00 0.00 C ATOM 597 C ARG A 38 -11.990 -5.056 13.379 1.00 0.00 C ATOM 598 O ARG A 38 -12.693 -4.074 13.127 1.00 0.00 O ATOM 599 CB ARG A 38 -9.816 -3.930 12.864 1.00 0.00 C ATOM 600 CG ARG A 38 -9.797 -3.365 14.272 1.00 0.00 C ATOM 601 CD ARG A 38 -9.264 -1.944 14.290 1.00 0.00 C ATOM 602 NE ARG A 38 -9.531 -1.294 15.569 1.00 0.00 N ATOM 603 CZ ARG A 38 -9.753 0.012 15.719 1.00 0.00 C ATOM 604 NH1 ARG A 38 -9.705 0.839 14.678 1.00 0.00 N ATOM 605 NH2 ARG A 38 -10.040 0.485 16.920 1.00 0.00 N ATOM 0 H ARG A 38 -11.503 -5.038 10.848 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.094 -6.032 13.231 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.791 -4.117 12.544 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.229 -3.182 12.188 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.805 -3.383 14.687 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.178 -3.996 14.911 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.190 -1.954 14.102 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.724 -1.371 13.485 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.549 -1.878 16.405 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.496 0.476 13.748 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.877 1.836 14.810 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.089 -0.147 17.719 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.212 1.482 17.048 1.00 0.00 H new ATOM 619 N ASP A 39 -12.369 -6.024 14.195 1.00 0.00 N ATOM 620 CA ASP A 39 -13.607 -5.932 14.957 1.00 0.00 C ATOM 621 C ASP A 39 -13.340 -5.322 16.322 1.00 0.00 C ATOM 622 O ASP A 39 -13.886 -4.269 16.658 1.00 0.00 O ATOM 623 CB ASP A 39 -14.267 -7.304 15.121 1.00 0.00 C ATOM 624 CG ASP A 39 -15.088 -7.714 13.916 1.00 0.00 C ATOM 625 OD1 ASP A 39 -14.517 -8.300 12.973 1.00 0.00 O ATOM 626 OD2 ASP A 39 -16.315 -7.472 13.914 1.00 0.00 O ATOM 0 H ASP A 39 -11.840 -6.882 14.348 1.00 0.00 H new ATOM 0 HA ASP A 39 -14.291 -5.291 14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.496 -8.053 15.300 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.908 -7.290 16.003 1.00 0.00 H new ATOM 631 N GLY A 40 -12.483 -5.971 17.102 1.00 0.00 N ATOM 632 CA GLY A 40 -12.203 -5.481 18.432 1.00 0.00 C ATOM 633 C GLY A 40 -10.788 -5.756 18.899 1.00 0.00 C ATOM 634 O GLY A 40 -10.017 -4.817 19.103 1.00 0.00 O ATOM 0 H GLY A 40 -11.983 -6.820 16.838 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.382 -4.406 18.458 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.902 -5.938 19.132 1.00 0.00 H new ATOM 638 N ARG A 41 -10.443 -7.040 19.048 1.00 0.00 N ATOM 639 CA ARG A 41 -9.194 -7.448 19.687 1.00 0.00 C ATOM 640 C ARG A 41 -9.196 -6.963 21.144 1.00 0.00 C ATOM 641 O ARG A 41 -9.773 -7.615 22.016 1.00 0.00 O ATOM 642 CB ARG A 41 -7.977 -6.910 18.907 1.00 0.00 C ATOM 643 CG ARG A 41 -6.622 -7.371 19.431 1.00 0.00 C ATOM 644 CD ARG A 41 -6.061 -8.535 18.623 1.00 0.00 C ATOM 645 NE ARG A 41 -6.604 -9.834 19.025 1.00 0.00 N ATOM 646 CZ ARG A 41 -6.349 -10.980 18.388 1.00 0.00 C ATOM 647 NH1 ARG A 41 -5.600 -10.982 17.285 1.00 0.00 N ATOM 648 NH2 ARG A 41 -6.840 -12.123 18.853 1.00 0.00 N ATOM 0 H ARG A 41 -11.020 -7.819 18.730 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.117 -8.535 19.680 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.069 -7.214 17.864 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.005 -5.821 18.925 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.920 -6.538 19.401 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.720 -7.669 20.475 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.274 -8.371 17.567 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.976 -8.553 18.730 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.214 -9.866 19.842 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.220 -10.107 16.925 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.407 -11.859 16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.412 -12.126 19.697 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.645 -12.998 18.366 1.00 0.00 H new ATOM 662 N PHE A 42 -8.588 -5.805 21.381 1.00 0.00 N ATOM 663 CA PHE A 42 -8.652 -5.114 22.666 1.00 0.00 C ATOM 664 C PHE A 42 -7.931 -3.776 22.551 1.00 0.00 C ATOM 665 O PHE A 42 -6.766 -3.725 22.147 1.00 0.00 O ATOM 666 CB PHE A 42 -8.090 -5.954 23.831 1.00 0.00 C ATOM 667 CG PHE A 42 -6.685 -6.468 23.657 1.00 0.00 C ATOM 668 CD1 PHE A 42 -5.598 -5.715 24.074 1.00 0.00 C ATOM 669 CD2 PHE A 42 -6.457 -7.715 23.100 1.00 0.00 C ATOM 670 CE1 PHE A 42 -4.311 -6.195 23.933 1.00 0.00 C ATOM 671 CE2 PHE A 42 -5.175 -8.202 22.959 1.00 0.00 C ATOM 672 CZ PHE A 42 -4.100 -7.442 23.375 1.00 0.00 C ATOM 0 H PHE A 42 -8.032 -5.315 20.681 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.702 -4.947 22.904 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.125 -5.350 24.738 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.750 -6.806 23.990 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.760 -4.742 24.514 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.294 -8.314 22.772 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.472 -5.598 24.258 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.012 -9.177 22.524 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.095 -7.822 23.265 1.00 0.00 H new ATOM 682 N GLU A 43 -8.651 -2.701 22.868 1.00 0.00 N ATOM 683 CA GLU A 43 -8.156 -1.334 22.695 1.00 0.00 C ATOM 684 C GLU A 43 -7.849 -1.055 21.222 1.00 0.00 C ATOM 685 O GLU A 43 -8.098 -1.892 20.351 1.00 0.00 O ATOM 686 CB GLU A 43 -6.916 -1.083 23.562 1.00 0.00 C ATOM 687 CG GLU A 43 -7.166 -1.272 25.050 1.00 0.00 C ATOM 688 CD GLU A 43 -8.305 -0.415 25.568 1.00 0.00 C ATOM 689 OE1 GLU A 43 -8.118 0.811 25.710 1.00 0.00 O ATOM 690 OE2 GLU A 43 -9.398 -0.968 25.829 1.00 0.00 O ATOM 0 H GLU A 43 -9.594 -2.752 23.252 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.939 -0.649 23.020 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.120 -1.758 23.247 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.560 -0.067 23.388 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.388 -2.321 25.246 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.256 -1.031 25.600 1.00 0.00 H new ATOM 697 N GLU A 44 -7.333 0.126 20.934 1.00 0.00 N ATOM 698 CA GLU A 44 -6.961 0.468 19.579 1.00 0.00 C ATOM 699 C GLU A 44 -5.455 0.386 19.433 1.00 0.00 C ATOM 700 O GLU A 44 -4.752 1.396 19.509 1.00 0.00 O ATOM 701 CB GLU A 44 -7.454 1.863 19.196 1.00 0.00 C ATOM 702 CG GLU A 44 -8.950 2.051 19.369 1.00 0.00 C ATOM 703 CD GLU A 44 -9.465 3.252 18.610 1.00 0.00 C ATOM 704 OE1 GLU A 44 -9.088 4.387 18.960 1.00 0.00 O ATOM 705 OE2 GLU A 44 -10.231 3.064 17.638 1.00 0.00 O ATOM 0 H GLU A 44 -7.163 0.861 21.621 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.435 -0.244 18.904 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.931 2.602 19.803 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.190 2.059 18.157 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.469 1.156 19.026 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.180 2.166 20.428 1.00 0.00 H new ATOM 712 N THR A 45 -4.961 -0.829 19.283 1.00 0.00 N ATOM 713 CA THR A 45 -3.541 -1.043 19.094 1.00 0.00 C ATOM 714 C THR A 45 -3.104 -0.495 17.736 1.00 0.00 C ATOM 715 O THR A 45 -3.874 -0.498 16.773 1.00 0.00 O ATOM 716 CB THR A 45 -3.160 -2.536 19.230 1.00 0.00 C ATOM 717 OG1 THR A 45 -1.737 -2.666 19.329 1.00 0.00 O ATOM 718 CG2 THR A 45 -3.669 -3.354 18.050 1.00 0.00 C ATOM 0 H THR A 45 -5.522 -1.681 19.289 1.00 0.00 H new ATOM 0 HA THR A 45 -3.014 -0.504 19.882 1.00 0.00 H new ATOM 0 HB THR A 45 -3.631 -2.921 20.135 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.470 -3.566 19.046 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.383 -4.398 18.180 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.755 -3.280 17.997 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.234 -2.971 17.127 1.00 0.00 H new ATOM 726 N LYS A 46 -1.880 -0.005 17.673 1.00 0.00 N ATOM 727 CA LYS A 46 -1.385 0.661 16.480 1.00 0.00 C ATOM 728 C LYS A 46 -0.896 -0.351 15.449 1.00 0.00 C ATOM 729 O LYS A 46 -0.049 -1.196 15.741 1.00 0.00 O ATOM 730 CB LYS A 46 -0.260 1.647 16.833 1.00 0.00 C ATOM 731 CG LYS A 46 -0.732 2.932 17.513 1.00 0.00 C ATOM 732 CD LYS A 46 -1.350 2.666 18.877 1.00 0.00 C ATOM 733 CE LYS A 46 -1.821 3.943 19.550 1.00 0.00 C ATOM 734 NZ LYS A 46 -0.685 4.811 19.959 1.00 0.00 N ATOM 0 H LYS A 46 -1.206 -0.056 18.437 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.213 1.220 16.044 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.453 1.146 17.488 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.275 1.910 15.920 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.112 3.613 17.625 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.462 3.431 16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.193 1.983 18.766 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.619 2.169 19.515 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.470 4.493 18.869 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.418 3.691 20.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.045 5.621 20.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.025 4.264 20.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.189 5.156 19.112 1.00 0.00 H new ATOM 748 N TYR A 47 -1.450 -0.265 14.249 1.00 0.00 N ATOM 749 CA TYR A 47 -1.018 -1.098 13.138 1.00 0.00 C ATOM 750 C TYR A 47 -0.058 -0.304 12.268 1.00 0.00 C ATOM 751 O TYR A 47 -0.233 0.905 12.093 1.00 0.00 O ATOM 752 CB TYR A 47 -2.220 -1.566 12.311 1.00 0.00 C ATOM 753 CG TYR A 47 -3.233 -2.356 13.105 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.071 -3.720 13.311 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.352 -1.740 13.653 1.00 0.00 C ATOM 756 CE1 TYR A 47 -3.993 -4.445 14.040 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.277 -2.458 14.383 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.094 -3.807 14.573 1.00 0.00 C ATOM 759 OH TYR A 47 -6.013 -4.524 15.301 1.00 0.00 O ATOM 0 H TYR A 47 -2.206 0.380 14.019 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.514 -1.983 13.528 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.711 -0.696 11.876 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.864 -2.178 11.483 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.210 -4.222 12.894 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.500 -0.681 13.505 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.853 -5.505 14.192 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.140 -1.963 14.803 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.087 -5.429 14.933 1.00 0.00 H new ATOM 769 N PHE A 48 0.953 -0.969 11.727 1.00 0.00 N ATOM 770 CA PHE A 48 2.000 -0.274 10.989 1.00 0.00 C ATOM 771 C PHE A 48 2.163 -0.828 9.581 1.00 0.00 C ATOM 772 O PHE A 48 1.855 -1.991 9.314 1.00 0.00 O ATOM 773 CB PHE A 48 3.329 -0.361 11.741 1.00 0.00 C ATOM 774 CG PHE A 48 3.332 0.387 13.041 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.528 1.759 13.063 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.139 -0.278 14.240 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.530 2.454 14.255 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.140 0.412 15.438 1.00 0.00 C ATOM 779 CZ PHE A 48 3.336 1.779 15.446 1.00 0.00 C ATOM 0 H PHE A 48 1.071 -1.981 11.784 1.00 0.00 H new ATOM 0 HA PHE A 48 1.700 0.771 10.904 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.560 -1.409 11.933 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.123 0.029 11.105 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.681 2.291 12.135 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.986 -1.347 14.239 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.683 3.523 14.258 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.988 -0.118 16.367 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.338 2.320 16.381 1.00 0.00 H new ATOM 789 N ILE A 49 2.656 0.021 8.691 1.00 0.00 N ATOM 790 CA ILE A 49 2.850 -0.339 7.298 1.00 0.00 C ATOM 791 C ILE A 49 4.232 0.119 6.820 1.00 0.00 C ATOM 792 O ILE A 49 4.699 1.204 7.181 1.00 0.00 O ATOM 793 CB ILE A 49 1.742 0.286 6.414 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.908 -0.134 4.952 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.745 1.807 6.539 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.812 0.388 4.050 1.00 0.00 C ATOM 0 H ILE A 49 2.932 0.977 8.916 1.00 0.00 H new ATOM 0 HA ILE A 49 2.790 -1.424 7.210 1.00 0.00 H new ATOM 0 HB ILE A 49 0.780 -0.085 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.871 0.223 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.929 -1.222 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.959 2.225 5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.566 2.087 7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.712 2.196 6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.991 0.053 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.151 0.010 4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.805 1.478 4.079 1.00 0.00 H new ATOM 808 N ARG A 50 4.899 -0.720 6.038 1.00 0.00 N ATOM 809 CA ARG A 50 6.219 -0.389 5.517 1.00 0.00 C ATOM 810 C ARG A 50 6.328 -0.851 4.066 1.00 0.00 C ATOM 811 O ARG A 50 5.536 -1.680 3.619 1.00 0.00 O ATOM 812 CB ARG A 50 7.305 -1.037 6.382 1.00 0.00 C ATOM 813 CG ARG A 50 8.655 -0.340 6.294 1.00 0.00 C ATOM 814 CD ARG A 50 9.647 -0.909 7.296 1.00 0.00 C ATOM 815 NE ARG A 50 10.014 -2.290 6.990 1.00 0.00 N ATOM 816 CZ ARG A 50 10.402 -3.184 7.905 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.435 -2.858 9.193 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.769 -4.403 7.526 1.00 0.00 N ATOM 0 H ARG A 50 4.548 -1.634 5.751 1.00 0.00 H new ATOM 0 HA ARG A 50 6.361 0.691 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.975 -1.041 7.421 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.423 -2.078 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.055 -0.446 5.285 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.526 0.727 6.475 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.545 -0.291 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.217 -0.863 8.296 1.00 0.00 H new ATOM 0 HE ARG A 50 9.971 -2.591 6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.163 -1.920 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.732 -3.545 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.755 -4.656 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.065 -5.086 8.223 1.00 0.00 H new ATOM 832 N TYR A 51 7.296 -0.316 3.331 1.00 0.00 N ATOM 833 CA TYR A 51 7.408 -0.611 1.910 1.00 0.00 C ATOM 834 C TYR A 51 8.834 -0.934 1.499 1.00 0.00 C ATOM 835 O TYR A 51 9.788 -0.685 2.238 1.00 0.00 O ATOM 836 CB TYR A 51 6.927 0.570 1.070 1.00 0.00 C ATOM 837 CG TYR A 51 5.441 0.790 1.101 1.00 0.00 C ATOM 838 CD1 TYR A 51 4.608 0.098 0.236 1.00 0.00 C ATOM 839 CD2 TYR A 51 4.872 1.697 1.981 1.00 0.00 C ATOM 840 CE1 TYR A 51 3.248 0.307 0.242 1.00 0.00 C ATOM 841 CE2 TYR A 51 3.511 1.909 1.997 1.00 0.00 C ATOM 842 CZ TYR A 51 2.705 1.212 1.126 1.00 0.00 C ATOM 843 OH TYR A 51 1.353 1.433 1.127 1.00 0.00 O ATOM 0 H TYR A 51 8.008 0.319 3.692 1.00 0.00 H new ATOM 0 HA TYR A 51 6.782 -1.485 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.423 1.475 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.238 0.416 0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.033 -0.616 -0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.504 2.245 2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.611 -0.235 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.079 2.617 2.688 1.00 0.00 H new ATOM 0 HH TYR A 51 1.108 1.957 1.918 1.00 0.00 H new ATOM 853 N PHE A 52 8.949 -1.497 0.308 1.00 0.00 N ATOM 854 CA PHE A 52 10.224 -1.677 -0.362 1.00 0.00 C ATOM 855 C PHE A 52 9.976 -1.733 -1.862 1.00 0.00 C ATOM 856 O PHE A 52 9.368 -2.680 -2.356 1.00 0.00 O ATOM 857 CB PHE A 52 10.924 -2.957 0.102 1.00 0.00 C ATOM 858 CG PHE A 52 12.294 -3.130 -0.494 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.393 -2.521 0.091 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.484 -3.894 -1.639 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.653 -2.669 -0.452 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.744 -4.044 -2.183 1.00 0.00 C ATOM 863 CZ PHE A 52 14.829 -3.433 -1.589 1.00 0.00 C ATOM 0 H PHE A 52 8.152 -1.845 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 52 10.877 -0.840 -0.115 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.006 -2.945 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.308 -3.817 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.262 -1.924 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.638 -4.375 -2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.501 -2.188 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.880 -4.640 -3.074 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.815 -3.552 -2.013 1.00 0.00 H new ATOM 873 N GLN A 53 10.411 -0.708 -2.578 1.00 0.00 N ATOM 874 CA GLN A 53 10.163 -0.638 -4.009 1.00 0.00 C ATOM 875 C GLN A 53 11.401 -0.147 -4.760 1.00 0.00 C ATOM 876 O GLN A 53 11.918 0.940 -4.493 1.00 0.00 O ATOM 877 CB GLN A 53 8.949 0.257 -4.298 1.00 0.00 C ATOM 878 CG GLN A 53 9.096 1.686 -3.809 1.00 0.00 C ATOM 879 CD GLN A 53 7.810 2.475 -3.925 1.00 0.00 C ATOM 880 OE1 GLN A 53 7.021 2.540 -2.982 1.00 0.00 O ATOM 881 NE2 GLN A 53 7.571 3.043 -5.092 1.00 0.00 N ATOM 0 H GLN A 53 10.933 0.080 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 53 9.940 -1.643 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.770 0.270 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.068 -0.185 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.421 1.679 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.877 2.184 -4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.253 2.964 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.705 3.561 -5.239 1.00 0.00 H new ATOM 890 N PRO A 54 11.918 -0.979 -5.676 1.00 0.00 N ATOM 891 CA PRO A 54 13.068 -0.639 -6.519 1.00 0.00 C ATOM 892 C PRO A 54 12.733 0.406 -7.580 1.00 0.00 C ATOM 893 O PRO A 54 13.626 1.088 -8.087 1.00 0.00 O ATOM 894 CB PRO A 54 13.444 -1.975 -7.184 1.00 0.00 C ATOM 895 CG PRO A 54 12.705 -3.014 -6.413 1.00 0.00 C ATOM 896 CD PRO A 54 11.455 -2.344 -5.936 1.00 0.00 C ATOM 0 HA PRO A 54 13.874 -0.198 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.157 -1.986 -8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.520 -2.146 -7.145 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.474 -3.876 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.300 -3.378 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.666 -2.370 -6.688 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.056 -2.817 -5.039 1.00 0.00 H new ATOM 904 N ASP A 55 11.452 0.531 -7.918 1.00 0.00 N ATOM 905 CA ASP A 55 11.027 1.512 -8.914 1.00 0.00 C ATOM 906 C ASP A 55 11.194 2.928 -8.373 1.00 0.00 C ATOM 907 O ASP A 55 10.689 3.269 -7.302 1.00 0.00 O ATOM 908 CB ASP A 55 9.582 1.275 -9.380 1.00 0.00 C ATOM 909 CG ASP A 55 8.584 1.119 -8.249 1.00 0.00 C ATOM 910 OD1 ASP A 55 8.395 -0.025 -7.788 1.00 0.00 O ATOM 911 OD2 ASP A 55 7.969 2.128 -7.844 1.00 0.00 O ATOM 0 H ASP A 55 10.697 -0.028 -7.522 1.00 0.00 H new ATOM 0 HA ASP A 55 11.669 1.390 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.273 2.109 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.554 0.380 -10.001 1.00 0.00 H new ATOM 916 N GLY A 56 11.943 3.736 -9.113 1.00 0.00 N ATOM 917 CA GLY A 56 12.254 5.077 -8.663 1.00 0.00 C ATOM 918 C GLY A 56 11.423 6.145 -9.342 1.00 0.00 C ATOM 919 O GLY A 56 11.267 7.244 -8.806 1.00 0.00 O ATOM 0 H GLY A 56 12.341 3.485 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.099 5.136 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.310 5.278 -8.845 1.00 0.00 H new ATOM 923 N ALA A 57 10.894 5.848 -10.522 1.00 0.00 N ATOM 924 CA ALA A 57 10.108 6.828 -11.249 1.00 0.00 C ATOM 925 C ALA A 57 8.624 6.638 -10.973 1.00 0.00 C ATOM 926 O ALA A 57 7.920 5.935 -11.707 1.00 0.00 O ATOM 927 CB ALA A 57 10.398 6.755 -12.738 1.00 0.00 C ATOM 0 H ALA A 57 10.995 4.947 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 57 10.392 7.821 -10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.798 7.498 -13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.455 6.953 -12.913 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.149 5.761 -13.109 1.00 0.00 H new ATOM 933 N GLY A 58 8.173 7.275 -9.907 1.00 0.00 N ATOM 934 CA GLY A 58 6.794 7.188 -9.485 1.00 0.00 C ATOM 935 C GLY A 58 6.607 7.849 -8.137 1.00 0.00 C ATOM 936 O GLY A 58 7.562 8.386 -7.570 1.00 0.00 O ATOM 0 H GLY A 58 8.755 7.866 -9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.151 7.667 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.491 6.143 -9.429 1.00 0.00 H new ATOM 940 N THR A 59 5.389 7.847 -7.628 1.00 0.00 N ATOM 941 CA THR A 59 5.111 8.425 -6.322 1.00 0.00 C ATOM 942 C THR A 59 3.957 7.692 -5.645 1.00 0.00 C ATOM 943 O THR A 59 2.936 7.410 -6.272 1.00 0.00 O ATOM 944 CB THR A 59 4.782 9.929 -6.434 1.00 0.00 C ATOM 945 OG1 THR A 59 5.800 10.590 -7.199 1.00 0.00 O ATOM 946 CG2 THR A 59 4.689 10.573 -5.055 1.00 0.00 C ATOM 0 H THR A 59 4.574 7.452 -8.098 1.00 0.00 H new ATOM 0 HA THR A 59 6.009 8.314 -5.715 1.00 0.00 H new ATOM 0 HB THR A 59 3.817 10.031 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.588 11.544 -7.270 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.456 11.632 -5.163 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.903 10.086 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.641 10.462 -4.537 1.00 0.00 H new ATOM 954 N LEU A 60 4.130 7.378 -4.369 1.00 0.00 N ATOM 955 CA LEU A 60 3.124 6.648 -3.609 1.00 0.00 C ATOM 956 C LEU A 60 2.677 7.462 -2.400 1.00 0.00 C ATOM 957 O LEU A 60 3.493 7.850 -1.565 1.00 0.00 O ATOM 958 CB LEU A 60 3.688 5.298 -3.159 1.00 0.00 C ATOM 959 CG LEU A 60 2.752 4.441 -2.304 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.498 4.072 -3.079 1.00 0.00 C ATOM 961 CD2 LEU A 60 3.476 3.191 -1.834 1.00 0.00 C ATOM 0 H LEU A 60 4.964 7.619 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 60 2.258 6.475 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.966 4.727 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.604 5.477 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 60 2.450 5.021 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.848 3.463 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.972 4.980 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.774 3.508 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.802 2.587 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.802 2.612 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.344 3.475 -1.240 1.00 0.00 H new ATOM 973 N LYS A 61 1.382 7.726 -2.317 1.00 0.00 N ATOM 974 CA LYS A 61 0.827 8.474 -1.202 1.00 0.00 C ATOM 975 C LYS A 61 -0.224 7.649 -0.469 1.00 0.00 C ATOM 976 O LYS A 61 -0.799 6.717 -1.026 1.00 0.00 O ATOM 977 CB LYS A 61 0.180 9.779 -1.674 1.00 0.00 C ATOM 978 CG LYS A 61 1.083 10.679 -2.499 1.00 0.00 C ATOM 979 CD LYS A 61 0.461 12.056 -2.656 1.00 0.00 C ATOM 980 CE LYS A 61 1.206 12.911 -3.662 1.00 0.00 C ATOM 981 NZ LYS A 61 0.782 12.632 -5.058 1.00 0.00 N ATOM 0 H LYS A 61 0.695 7.432 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 61 1.653 8.705 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.704 9.537 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.162 10.334 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.057 10.766 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.251 10.235 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.577 11.950 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.451 12.560 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.038 13.964 -3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.277 12.732 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.317 13.239 -5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.966 11.634 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.235 12.828 -5.158 1.00 0.00 H new ATOM 995 N MET A 62 -0.457 8.001 0.782 1.00 0.00 N ATOM 996 CA MET A 62 -1.551 7.433 1.554 1.00 0.00 C ATOM 997 C MET A 62 -2.790 8.306 1.358 1.00 0.00 C ATOM 998 O MET A 62 -2.686 9.402 0.807 1.00 0.00 O ATOM 999 CB MET A 62 -1.165 7.382 3.039 1.00 0.00 C ATOM 1000 CG MET A 62 -2.141 6.608 3.915 1.00 0.00 C ATOM 1001 SD MET A 62 -1.820 6.823 5.676 1.00 0.00 S ATOM 1002 CE MET A 62 -0.157 6.170 5.816 1.00 0.00 C ATOM 0 H MET A 62 0.103 8.685 1.291 1.00 0.00 H new ATOM 0 HA MET A 62 -1.762 6.418 1.217 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.177 6.931 3.130 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.086 8.401 3.417 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.158 6.933 3.693 1.00 0.00 H new ATOM 0 HG3 MET A 62 -2.084 5.548 3.666 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.001 5.791 6.826 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.023 5.360 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.563 6.961 5.608 1.00 0.00 H new ATOM 1012 N SER A 63 -3.949 7.829 1.799 1.00 0.00 N ATOM 1013 CA SER A 63 -5.188 8.605 1.731 1.00 0.00 C ATOM 1014 C SER A 63 -5.061 9.977 2.412 1.00 0.00 C ATOM 1015 O SER A 63 -5.806 10.908 2.100 1.00 0.00 O ATOM 1016 CB SER A 63 -6.319 7.797 2.366 1.00 0.00 C ATOM 1017 OG SER A 63 -5.858 7.087 3.506 1.00 0.00 O ATOM 0 H SER A 63 -4.059 6.902 2.211 1.00 0.00 H new ATOM 0 HA SER A 63 -5.407 8.798 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.131 8.465 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.725 7.096 1.636 1.00 0.00 H new ATOM 0 HG SER A 63 -6.599 6.579 3.897 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.115 10.099 3.339 1.00 0.00 N ATOM 1024 CA ASP A 64 -3.863 11.366 4.026 1.00 0.00 C ATOM 1025 C ASP A 64 -3.080 12.331 3.136 1.00 0.00 C ATOM 1026 O ASP A 64 -3.089 13.542 3.351 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.082 11.115 5.323 1.00 0.00 C ATOM 1028 CG ASP A 64 -2.766 12.394 6.078 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -3.598 12.826 6.903 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -1.675 12.963 5.870 1.00 0.00 O ATOM 0 H ASP A 64 -3.508 9.334 3.634 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.827 11.818 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.660 10.452 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.151 10.599 5.087 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.420 11.790 2.124 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.546 12.593 1.293 1.00 0.00 C ATOM 1037 C GLY A 65 -0.091 12.373 1.648 1.00 0.00 C ATOM 1038 O GLY A 65 0.810 12.884 0.980 1.00 0.00 O ATOM 0 H GLY A 65 -2.474 10.806 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.708 12.343 0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.796 13.647 1.412 1.00 0.00 H new ATOM 1042 N THR A 66 0.127 11.611 2.713 1.00 0.00 N ATOM 1043 CA THR A 66 1.463 11.255 3.158 1.00 0.00 C ATOM 1044 C THR A 66 2.197 10.454 2.092 1.00 0.00 C ATOM 1045 O THR A 66 1.730 9.394 1.671 1.00 0.00 O ATOM 1046 CB THR A 66 1.398 10.427 4.459 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.679 11.156 5.459 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.791 10.093 4.973 1.00 0.00 C ATOM 0 H THR A 66 -0.619 11.224 3.290 1.00 0.00 H new ATOM 0 HA THR A 66 2.007 12.181 3.344 1.00 0.00 H new ATOM 0 HB THR A 66 0.883 9.492 4.240 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.638 10.627 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.710 9.510 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.327 9.514 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.335 11.016 5.177 1.00 0.00 H new ATOM 1056 N VAL A 67 3.335 10.971 1.649 1.00 0.00 N ATOM 1057 CA VAL A 67 4.166 10.264 0.693 1.00 0.00 C ATOM 1058 C VAL A 67 4.924 9.150 1.401 1.00 0.00 C ATOM 1059 O VAL A 67 5.729 9.402 2.300 1.00 0.00 O ATOM 1060 CB VAL A 67 5.154 11.210 -0.022 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.026 10.441 -1.005 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.398 12.321 -0.732 1.00 0.00 C ATOM 0 H VAL A 67 3.701 11.878 1.938 1.00 0.00 H new ATOM 0 HA VAL A 67 3.514 9.839 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 67 5.806 11.657 0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.714 11.129 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.594 9.680 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.395 9.962 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.107 12.981 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.723 11.888 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.822 12.892 -0.004 1.00 0.00 H new ATOM 1072 N LEU A 68 4.645 7.923 1.001 1.00 0.00 N ATOM 1073 CA LEU A 68 5.186 6.754 1.670 1.00 0.00 C ATOM 1074 C LEU A 68 6.553 6.390 1.104 1.00 0.00 C ATOM 1075 O LEU A 68 6.663 5.921 -0.027 1.00 0.00 O ATOM 1076 CB LEU A 68 4.207 5.587 1.522 1.00 0.00 C ATOM 1077 CG LEU A 68 2.817 5.844 2.112 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.816 4.821 1.604 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.874 5.814 3.632 1.00 0.00 C ATOM 0 H LEU A 68 4.040 7.709 0.208 1.00 0.00 H new ATOM 0 HA LEU A 68 5.317 6.977 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.100 5.351 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.635 4.707 2.003 1.00 0.00 H new ATOM 0 HG LEU A 68 2.489 6.833 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.837 5.024 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.752 4.883 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.140 3.821 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.879 5.998 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.226 4.837 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.558 6.585 3.986 1.00 0.00 H new ATOM 1091 N LEU A 69 7.591 6.628 1.892 1.00 0.00 N ATOM 1092 CA LEU A 69 8.952 6.352 1.465 1.00 0.00 C ATOM 1093 C LEU A 69 9.484 5.104 2.155 1.00 0.00 C ATOM 1094 O LEU A 69 9.385 4.974 3.374 1.00 0.00 O ATOM 1095 CB LEU A 69 9.856 7.545 1.783 1.00 0.00 C ATOM 1096 CG LEU A 69 9.462 8.863 1.115 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.374 9.984 1.579 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.511 8.729 -0.399 1.00 0.00 C ATOM 0 H LEU A 69 7.515 7.013 2.833 1.00 0.00 H new ATOM 0 HA LEU A 69 8.948 6.183 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.867 7.693 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.875 7.297 1.485 1.00 0.00 H new ATOM 0 HG LEU A 69 8.440 9.106 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.081 10.916 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.292 10.096 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.405 9.747 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.228 9.676 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.522 8.464 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.818 7.950 -0.718 1.00 0.00 H new ATOM 1110 N PRO A 70 10.048 4.164 1.381 1.00 0.00 N ATOM 1111 CA PRO A 70 10.648 2.951 1.934 1.00 0.00 C ATOM 1112 C PRO A 70 11.910 3.253 2.742 1.00 0.00 C ATOM 1113 O PRO A 70 13.008 3.352 2.191 1.00 0.00 O ATOM 1114 CB PRO A 70 10.983 2.111 0.695 1.00 0.00 C ATOM 1115 CG PRO A 70 11.080 3.092 -0.423 1.00 0.00 C ATOM 1116 CD PRO A 70 10.129 4.207 -0.091 1.00 0.00 C ATOM 0 HA PRO A 70 9.978 2.444 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.920 1.570 0.827 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.210 1.368 0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.099 3.467 -0.524 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.816 2.626 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.500 5.169 -0.445 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.153 4.053 -0.551 1.00 0.00 H new ATOM 1124 N ASN A 71 11.731 3.438 4.046 1.00 0.00 N ATOM 1125 CA ASN A 71 12.840 3.725 4.948 1.00 0.00 C ATOM 1126 C ASN A 71 12.401 3.559 6.396 1.00 0.00 C ATOM 1127 O ASN A 71 12.945 2.731 7.128 1.00 0.00 O ATOM 1128 CB ASN A 71 13.370 5.144 4.718 1.00 0.00 C ATOM 1129 CG ASN A 71 14.497 5.517 5.667 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.267 6.095 6.731 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.721 5.190 5.290 1.00 0.00 N ATOM 0 H ASN A 71 10.821 3.394 4.504 1.00 0.00 H new ATOM 0 HA ASN A 71 13.642 3.017 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.723 5.232 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.552 5.855 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.516 5.416 5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.870 4.712 4.401 1.00 0.00 H new ATOM 1138 N ASP A 72 11.412 4.341 6.804 1.00 0.00 N ATOM 1139 CA ASP A 72 10.901 4.267 8.165 1.00 0.00 C ATOM 1140 C ASP A 72 9.535 3.593 8.193 1.00 0.00 C ATOM 1141 O ASP A 72 9.041 3.129 7.165 1.00 0.00 O ATOM 1142 CB ASP A 72 10.830 5.659 8.800 1.00 0.00 C ATOM 1143 CG ASP A 72 9.861 6.589 8.098 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.171 7.046 6.975 1.00 0.00 O ATOM 1145 OD2 ASP A 72 8.804 6.897 8.682 1.00 0.00 O ATOM 0 H ASP A 72 10.949 5.032 6.214 1.00 0.00 H new ATOM 0 HA ASP A 72 11.593 3.663 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.535 5.560 9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.824 6.106 8.790 1.00 0.00 H new ATOM 1150 N LEU A 73 8.931 3.543 9.370 1.00 0.00 N ATOM 1151 CA LEU A 73 7.702 2.793 9.569 1.00 0.00 C ATOM 1152 C LEU A 73 6.526 3.726 9.835 1.00 0.00 C ATOM 1153 O LEU A 73 6.531 4.479 10.811 1.00 0.00 O ATOM 1154 CB LEU A 73 7.883 1.827 10.739 1.00 0.00 C ATOM 1155 CG LEU A 73 6.706 0.890 11.009 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.390 0.054 9.778 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.012 -0.009 12.195 1.00 0.00 C ATOM 0 H LEU A 73 9.275 4.016 10.206 1.00 0.00 H new ATOM 0 HA LEU A 73 7.484 2.232 8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.771 1.222 10.554 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.076 2.408 11.641 1.00 0.00 H new ATOM 0 HG LEU A 73 5.831 1.495 11.244 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.549 -0.606 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.133 0.712 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.261 -0.544 9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.166 -0.672 12.377 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.900 -0.604 11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.190 0.603 13.079 1.00 0.00 H new ATOM 1169 N TYR A 74 5.517 3.657 8.976 1.00 0.00 N ATOM 1170 CA TYR A 74 4.342 4.511 9.097 1.00 0.00 C ATOM 1171 C TYR A 74 3.186 3.739 9.723 1.00 0.00 C ATOM 1172 O TYR A 74 3.109 2.520 9.592 1.00 0.00 O ATOM 1173 CB TYR A 74 3.929 5.043 7.720 1.00 0.00 C ATOM 1174 CG TYR A 74 5.040 5.764 6.991 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.475 7.012 7.413 1.00 0.00 C ATOM 1176 CD2 TYR A 74 5.665 5.187 5.892 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.497 7.669 6.757 1.00 0.00 C ATOM 1178 CE2 TYR A 74 6.690 5.836 5.234 1.00 0.00 C ATOM 1179 CZ TYR A 74 7.102 7.075 5.670 1.00 0.00 C ATOM 1180 OH TYR A 74 8.130 7.721 5.023 1.00 0.00 O ATOM 0 H TYR A 74 5.489 3.015 8.184 1.00 0.00 H new ATOM 0 HA TYR A 74 4.592 5.353 9.742 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.584 4.211 7.107 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.085 5.722 7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.007 7.477 8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.343 4.215 5.547 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.821 8.643 7.094 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.166 5.374 4.382 1.00 0.00 H new ATOM 0 HH TYR A 74 8.954 7.630 5.545 1.00 0.00 H new ATOM 1190 N PRO A 75 2.289 4.429 10.438 1.00 0.00 N ATOM 1191 CA PRO A 75 1.095 3.817 11.008 1.00 0.00 C ATOM 1192 C PRO A 75 -0.088 3.822 10.038 1.00 0.00 C ATOM 1193 O PRO A 75 -0.057 4.490 9.002 1.00 0.00 O ATOM 1194 CB PRO A 75 0.808 4.713 12.209 1.00 0.00 C ATOM 1195 CG PRO A 75 1.288 6.067 11.799 1.00 0.00 C ATOM 1196 CD PRO A 75 2.375 5.862 10.769 1.00 0.00 C ATOM 0 HA PRO A 75 1.243 2.766 11.255 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.255 4.726 12.448 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.330 4.361 13.099 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.470 6.656 11.383 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.671 6.616 12.659 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.213 6.485 9.889 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.356 6.121 11.167 1.00 0.00 H new ATOM 1204 N LEU A 76 -1.124 3.067 10.376 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.343 3.039 9.579 1.00 0.00 C ATOM 1206 C LEU A 76 -3.404 3.948 10.196 1.00 0.00 C ATOM 1207 O LEU A 76 -3.599 3.941 11.411 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.879 1.607 9.463 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.984 0.636 8.690 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.583 -0.761 8.701 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.788 1.121 7.260 1.00 0.00 C ATOM 0 H LEU A 76 -1.145 2.464 11.199 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.106 3.404 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.034 1.212 10.467 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.855 1.640 8.979 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.010 0.597 9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.934 -1.439 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.677 -1.108 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.568 -0.738 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.149 0.420 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.755 1.186 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.319 2.105 7.271 1.00 0.00 H new ATOM 1223 N PRO A 77 -4.099 4.745 9.365 1.00 0.00 N ATOM 1224 CA PRO A 77 -5.106 5.700 9.839 1.00 0.00 C ATOM 1225 C PRO A 77 -6.463 5.052 10.115 1.00 0.00 C ATOM 1226 O PRO A 77 -7.414 5.726 10.515 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.207 6.685 8.677 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.907 5.871 7.464 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.940 4.796 7.896 1.00 0.00 C ATOM 0 HA PRO A 77 -4.825 6.152 10.790 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.201 7.130 8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.497 7.504 8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.818 5.432 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.473 6.490 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.176 3.837 7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.916 5.042 7.613 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.555 3.752 9.895 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.799 3.054 10.125 1.00 0.00 C ATOM 1239 C GLY A 78 -7.890 1.773 9.330 1.00 0.00 C ATOM 1240 O GLY A 78 -6.875 1.259 8.860 1.00 0.00 O ATOM 0 H GLY A 78 -5.789 3.167 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.896 2.828 11.187 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.633 3.704 9.860 1.00 0.00 H new ATOM 1244 N GLU A 79 -9.104 1.267 9.175 1.00 0.00 N ATOM 1245 CA GLU A 79 -9.329 0.007 8.478 1.00 0.00 C ATOM 1246 C GLU A 79 -9.522 0.229 6.980 1.00 0.00 C ATOM 1247 O GLU A 79 -8.950 -0.485 6.154 1.00 0.00 O ATOM 1248 CB GLU A 79 -10.560 -0.713 9.049 1.00 0.00 C ATOM 1249 CG GLU A 79 -10.440 -1.118 10.515 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.572 0.048 11.476 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -11.706 0.529 11.686 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -9.547 0.488 12.032 1.00 0.00 O ATOM 0 H GLU A 79 -9.953 1.711 9.524 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.444 -0.612 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.428 -0.064 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.750 -1.606 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.208 -1.856 10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.476 -1.602 10.673 1.00 0.00 H new ATOM 1259 N THR A 80 -10.316 1.233 6.638 1.00 0.00 N ATOM 1260 CA THR A 80 -10.705 1.482 5.256 1.00 0.00 C ATOM 1261 C THR A 80 -9.778 2.481 4.558 1.00 0.00 C ATOM 1262 O THR A 80 -10.242 3.384 3.860 1.00 0.00 O ATOM 1263 CB THR A 80 -12.150 2.007 5.206 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.373 2.918 6.294 1.00 0.00 O ATOM 1265 CG2 THR A 80 -13.148 0.860 5.285 1.00 0.00 C ATOM 0 H THR A 80 -10.708 1.896 7.307 1.00 0.00 H new ATOM 0 HA THR A 80 -10.628 0.533 4.725 1.00 0.00 H new ATOM 0 HB THR A 80 -12.295 2.525 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.294 3.252 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.162 1.257 5.248 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.992 0.184 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 80 -13.005 0.317 6.219 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.475 2.292 4.709 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.496 3.201 4.114 1.00 0.00 C ATOM 1275 C PHE A 81 -7.252 2.862 2.640 1.00 0.00 C ATOM 1276 O PHE A 81 -7.661 1.803 2.152 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.176 3.160 4.897 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.531 1.803 4.942 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.939 0.857 5.869 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.517 1.472 4.057 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.352 -0.390 5.914 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.926 0.225 4.097 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.344 -0.709 5.026 1.00 0.00 C ATOM 0 H PHE A 81 -8.068 1.520 5.237 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.902 4.211 4.167 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.478 3.867 4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.360 3.497 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.728 1.100 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.186 2.197 3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.680 -1.116 6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.137 -0.021 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.884 -1.685 5.057 1.00 0.00 H new ATOM 1293 N ARG A 82 -6.582 3.767 1.933 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.303 3.578 0.514 1.00 0.00 C ATOM 1295 C ARG A 82 -4.933 4.153 0.156 1.00 0.00 C ATOM 1296 O ARG A 82 -4.391 4.999 0.882 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.402 4.223 -0.332 1.00 0.00 C ATOM 1298 CG ARG A 82 -7.478 5.730 -0.191 1.00 0.00 C ATOM 1299 CD ARG A 82 -8.764 6.277 -0.778 1.00 0.00 C ATOM 1300 NE ARG A 82 -9.939 5.773 -0.072 1.00 0.00 N ATOM 1301 CZ ARG A 82 -10.715 6.523 0.707 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.453 7.816 0.869 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -11.752 5.976 1.329 1.00 0.00 N ATOM 0 H ARG A 82 -6.222 4.639 2.320 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.288 2.509 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.234 3.974 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -8.363 3.792 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -7.413 6.002 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.625 6.187 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.751 7.366 -0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.828 6.004 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.179 4.788 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.654 8.238 0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.051 8.386 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.953 4.983 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.348 6.549 1.927 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.383 3.680 -0.953 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.036 4.035 -1.371 1.00 0.00 C ATOM 1319 C LEU A 83 -3.046 4.559 -2.803 1.00 0.00 C ATOM 1320 O LEU A 83 -3.563 3.904 -3.707 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.132 2.802 -1.284 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.176 2.054 0.050 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.449 0.726 -0.065 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.568 2.900 1.159 1.00 0.00 C ATOM 0 H LEU A 83 -4.859 3.039 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.657 4.816 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.410 2.110 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.104 3.111 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.218 1.858 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.489 0.205 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.927 0.115 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.409 0.903 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.609 2.351 2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.530 3.127 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.129 3.829 1.257 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.463 5.729 -3.005 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.420 6.345 -4.325 1.00 0.00 C ATOM 1338 C TYR A 84 -1.022 6.241 -4.920 1.00 0.00 C ATOM 1339 O TYR A 84 -0.085 6.871 -4.428 1.00 0.00 O ATOM 1340 CB TYR A 84 -2.828 7.819 -4.244 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.269 8.051 -3.844 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -4.634 8.170 -2.509 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.265 8.163 -4.807 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -5.949 8.392 -2.146 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.582 8.385 -4.452 1.00 0.00 C ATOM 1346 CZ TYR A 84 -6.919 8.498 -3.122 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.231 8.718 -2.765 1.00 0.00 O ATOM 0 H TYR A 84 -2.011 6.274 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.122 5.813 -4.966 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.180 8.323 -3.527 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.654 8.285 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.878 8.088 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.005 8.075 -5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.216 8.482 -1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.343 8.469 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.785 8.768 -3.572 1.00 0.00 H new ATOM 1357 N TYR A 85 -0.873 5.447 -5.971 1.00 0.00 N ATOM 1358 CA TYR A 85 0.417 5.319 -6.636 1.00 0.00 C ATOM 1359 C TYR A 85 0.366 5.915 -8.037 1.00 0.00 C ATOM 1360 O TYR A 85 -0.322 5.403 -8.917 1.00 0.00 O ATOM 1361 CB TYR A 85 0.864 3.852 -6.709 1.00 0.00 C ATOM 1362 CG TYR A 85 2.214 3.666 -7.372 1.00 0.00 C ATOM 1363 CD1 TYR A 85 3.392 3.781 -6.644 1.00 0.00 C ATOM 1364 CD2 TYR A 85 2.308 3.389 -8.732 1.00 0.00 C ATOM 1365 CE1 TYR A 85 4.624 3.623 -7.252 1.00 0.00 C ATOM 1366 CE2 TYR A 85 3.535 3.234 -9.347 1.00 0.00 C ATOM 1367 CZ TYR A 85 4.689 3.352 -8.603 1.00 0.00 C ATOM 1368 OH TYR A 85 5.912 3.205 -9.216 1.00 0.00 O ATOM 0 H TYR A 85 -1.621 4.886 -6.379 1.00 0.00 H new ATOM 0 HA TYR A 85 1.146 5.872 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.903 3.441 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.116 3.279 -7.257 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.345 3.997 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.405 3.293 -9.317 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.531 3.711 -6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.590 3.022 -10.404 1.00 0.00 H new ATOM 0 HH TYR A 85 6.601 3.049 -8.537 1.00 0.00 H new ATOM 1378 N THR A 86 1.099 6.996 -8.233 1.00 0.00 N ATOM 1379 CA THR A 86 1.202 7.626 -9.536 1.00 0.00 C ATOM 1380 C THR A 86 2.481 7.163 -10.237 1.00 0.00 C ATOM 1381 O THR A 86 3.586 7.371 -9.733 1.00 0.00 O ATOM 1382 CB THR A 86 1.202 9.164 -9.415 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.098 9.587 -8.600 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.099 9.820 -10.787 1.00 0.00 C ATOM 0 H THR A 86 1.636 7.459 -7.499 1.00 0.00 H new ATOM 0 HA THR A 86 0.333 7.331 -10.125 1.00 0.00 H new ATOM 0 HB THR A 86 2.141 9.469 -8.954 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.739 9.468 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.101 10.904 -10.673 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.949 9.518 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.174 9.508 -11.271 1.00 0.00 H new ATOM 1392 N SER A 87 2.322 6.516 -11.380 1.00 0.00 N ATOM 1393 CA SER A 87 3.453 5.973 -12.119 1.00 0.00 C ATOM 1394 C SER A 87 4.044 7.010 -13.075 1.00 0.00 C ATOM 1395 O SER A 87 3.309 7.754 -13.729 1.00 0.00 O ATOM 1396 CB SER A 87 3.006 4.729 -12.886 1.00 0.00 C ATOM 1397 OG SER A 87 1.727 4.930 -13.464 1.00 0.00 O ATOM 0 H SER A 87 1.416 6.353 -11.819 1.00 0.00 H new ATOM 0 HA SER A 87 4.235 5.702 -11.410 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.731 4.497 -13.666 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.976 3.872 -12.213 1.00 0.00 H new ATOM 0 HG SER A 87 1.786 5.620 -14.157 1.00 0.00 H new ATOM 1403 N ALA A 88 5.373 7.060 -13.147 1.00 0.00 N ATOM 1404 CA ALA A 88 6.058 7.995 -14.034 1.00 0.00 C ATOM 1405 C ALA A 88 6.882 7.251 -15.084 1.00 0.00 C ATOM 1406 O ALA A 88 7.675 7.851 -15.806 1.00 0.00 O ATOM 1407 CB ALA A 88 6.944 8.934 -13.228 1.00 0.00 C ATOM 0 H ALA A 88 5.996 6.464 -12.602 1.00 0.00 H new ATOM 0 HA ALA A 88 5.304 8.585 -14.555 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.449 9.626 -13.902 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.332 9.496 -12.523 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.687 8.353 -12.681 1.00 0.00 H new ATOM 1413 N SER A 89 6.684 5.941 -15.162 1.00 0.00 N ATOM 1414 CA SER A 89 7.375 5.112 -16.146 1.00 0.00 C ATOM 1415 C SER A 89 6.353 4.488 -17.093 1.00 0.00 C ATOM 1416 O SER A 89 5.152 4.692 -16.911 1.00 0.00 O ATOM 1417 CB SER A 89 8.188 4.027 -15.440 1.00 0.00 C ATOM 1418 OG SER A 89 9.098 4.589 -14.515 1.00 0.00 O ATOM 0 H SER A 89 6.048 5.426 -14.553 1.00 0.00 H new ATOM 0 HA SER A 89 8.061 5.731 -16.725 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.515 3.344 -14.922 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.733 3.439 -16.179 1.00 0.00 H new ATOM 0 HG SER A 89 9.600 5.311 -14.948 1.00 0.00 H new ATOM 1424 N THR A 90 6.809 3.736 -18.095 1.00 0.00 N ATOM 1425 CA THR A 90 5.887 3.138 -19.052 1.00 0.00 C ATOM 1426 C THR A 90 5.036 2.070 -18.364 1.00 0.00 C ATOM 1427 O THR A 90 3.821 2.073 -18.500 1.00 0.00 O ATOM 1428 CB THR A 90 6.658 2.512 -20.228 1.00 0.00 C ATOM 1429 OG1 THR A 90 7.706 3.402 -20.638 1.00 0.00 O ATOM 1430 CG2 THR A 90 5.734 2.234 -21.403 1.00 0.00 C ATOM 0 H THR A 90 7.794 3.531 -18.261 1.00 0.00 H new ATOM 0 HA THR A 90 5.236 3.922 -19.439 1.00 0.00 H new ATOM 0 HB THR A 90 7.083 1.564 -19.897 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.199 3.004 -21.386 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.306 1.792 -22.219 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.950 1.543 -21.094 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.283 3.167 -21.740 1.00 0.00 H new ATOM 1438 N ASP A 91 5.695 1.213 -17.579 1.00 0.00 N ATOM 1439 CA ASP A 91 5.034 0.352 -16.587 1.00 0.00 C ATOM 1440 C ASP A 91 6.084 -0.174 -15.626 1.00 0.00 C ATOM 1441 O ASP A 91 6.519 -1.322 -15.723 1.00 0.00 O ATOM 1442 CB ASP A 91 4.386 -0.891 -17.196 1.00 0.00 C ATOM 1443 CG ASP A 91 3.176 -0.649 -18.076 1.00 0.00 C ATOM 1444 OD1 ASP A 91 2.084 -0.394 -17.534 1.00 0.00 O ATOM 1445 OD2 ASP A 91 3.305 -0.763 -19.320 1.00 0.00 O ATOM 0 H ASP A 91 6.708 1.094 -17.612 1.00 0.00 H new ATOM 0 HA ASP A 91 4.266 0.967 -16.117 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.138 -1.417 -17.784 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.093 -1.557 -16.385 1.00 0.00 H new ATOM 1450 N GLN A 92 6.517 0.668 -14.733 1.00 0.00 N ATOM 1451 CA GLN A 92 7.455 0.260 -13.700 1.00 0.00 C ATOM 1452 C GLN A 92 6.802 0.257 -12.331 1.00 0.00 C ATOM 1453 O GLN A 92 6.574 1.319 -11.763 1.00 0.00 O ATOM 1454 CB GLN A 92 8.707 1.135 -13.703 1.00 0.00 C ATOM 1455 CG GLN A 92 9.801 0.627 -12.775 1.00 0.00 C ATOM 1456 CD GLN A 92 10.167 -0.827 -13.035 1.00 0.00 C ATOM 1457 OE1 GLN A 92 11.029 -1.126 -13.860 1.00 0.00 O ATOM 1458 NE2 GLN A 92 9.521 -1.742 -12.318 1.00 0.00 N ATOM 0 H GLN A 92 6.240 1.649 -14.690 1.00 0.00 H new ATOM 0 HA GLN A 92 7.762 -0.761 -13.928 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.099 1.192 -14.718 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.434 2.149 -13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.689 1.247 -12.894 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.473 0.735 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.812 -1.454 -11.643 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.734 -2.732 -12.443 1.00 0.00 H new ATOM 1467 N GLN A 93 6.477 -0.909 -11.810 1.00 0.00 N ATOM 1468 CA GLN A 93 6.055 -0.994 -10.424 1.00 0.00 C ATOM 1469 C GLN A 93 6.421 -2.340 -9.822 1.00 0.00 C ATOM 1470 O GLN A 93 6.032 -3.388 -10.330 1.00 0.00 O ATOM 1471 CB GLN A 93 4.555 -0.731 -10.271 1.00 0.00 C ATOM 1472 CG GLN A 93 4.085 -0.815 -8.826 1.00 0.00 C ATOM 1473 CD GLN A 93 2.720 -0.201 -8.609 1.00 0.00 C ATOM 1474 OE1 GLN A 93 1.883 -0.174 -9.505 1.00 0.00 O ATOM 1475 NE2 GLN A 93 2.481 0.296 -7.406 1.00 0.00 N ATOM 0 H GLN A 93 6.495 -1.796 -12.313 1.00 0.00 H new ATOM 0 HA GLN A 93 6.588 -0.215 -9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.322 0.257 -10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.001 -1.453 -10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.059 -1.861 -8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.809 -0.312 -8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.202 0.256 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.576 0.719 -7.200 1.00 0.00 H new ATOM 1484 N THR A 94 7.211 -2.301 -8.765 1.00 0.00 N ATOM 1485 CA THR A 94 7.497 -3.479 -7.971 1.00 0.00 C ATOM 1486 C THR A 94 7.538 -3.072 -6.505 1.00 0.00 C ATOM 1487 O THR A 94 8.506 -2.480 -6.047 1.00 0.00 O ATOM 1488 CB THR A 94 8.841 -4.121 -8.380 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.860 -4.352 -9.798 1.00 0.00 O ATOM 1490 CG2 THR A 94 9.063 -5.437 -7.647 1.00 0.00 C ATOM 0 H THR A 94 7.671 -1.453 -8.434 1.00 0.00 H new ATOM 0 HA THR A 94 6.716 -4.221 -8.139 1.00 0.00 H new ATOM 0 HB THR A 94 9.643 -3.434 -8.109 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.732 -4.090 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 94 10.016 -5.868 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.075 -5.257 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.257 -6.129 -7.890 1.00 0.00 H new ATOM 1498 N VAL A 95 6.484 -3.382 -5.774 1.00 0.00 N ATOM 1499 CA VAL A 95 6.345 -2.880 -4.419 1.00 0.00 C ATOM 1500 C VAL A 95 6.081 -4.006 -3.432 1.00 0.00 C ATOM 1501 O VAL A 95 5.093 -4.734 -3.558 1.00 0.00 O ATOM 1502 CB VAL A 95 5.192 -1.855 -4.310 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.171 -1.215 -2.932 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.289 -0.790 -5.391 1.00 0.00 C ATOM 0 H VAL A 95 5.717 -3.974 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 95 7.289 -2.394 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 95 4.256 -2.395 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.353 -0.497 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.029 -1.986 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.116 -0.702 -2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.463 -0.087 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.235 -0.257 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.239 -1.262 -6.372 1.00 0.00 H new ATOM 1514 N ASP A 96 6.972 -4.149 -2.463 1.00 0.00 N ATOM 1515 CA ASP A 96 6.734 -5.029 -1.330 1.00 0.00 C ATOM 1516 C ASP A 96 5.992 -4.258 -0.251 1.00 0.00 C ATOM 1517 O ASP A 96 6.545 -3.340 0.360 1.00 0.00 O ATOM 1518 CB ASP A 96 8.051 -5.575 -0.763 1.00 0.00 C ATOM 1519 CG ASP A 96 8.727 -6.579 -1.676 1.00 0.00 C ATOM 1520 OD1 ASP A 96 8.338 -7.767 -1.649 1.00 0.00 O ATOM 1521 OD2 ASP A 96 9.666 -6.193 -2.401 1.00 0.00 O ATOM 0 H ASP A 96 7.870 -3.665 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 96 6.136 -5.876 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.732 -4.744 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.856 -6.045 0.201 1.00 0.00 H new ATOM 1526 N VAL A 97 4.739 -4.613 -0.034 1.00 0.00 N ATOM 1527 CA VAL A 97 3.910 -3.924 0.940 1.00 0.00 C ATOM 1528 C VAL A 97 3.823 -4.732 2.230 1.00 0.00 C ATOM 1529 O VAL A 97 3.404 -5.891 2.226 1.00 0.00 O ATOM 1530 CB VAL A 97 2.487 -3.668 0.399 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.716 -2.754 1.338 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.537 -3.081 -1.005 1.00 0.00 C ATOM 0 H VAL A 97 4.271 -5.377 -0.521 1.00 0.00 H new ATOM 0 HA VAL A 97 4.379 -2.961 1.141 1.00 0.00 H new ATOM 0 HB VAL A 97 1.966 -4.624 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.715 -2.585 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.642 -3.220 2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.237 -1.801 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.522 -2.910 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.079 -2.136 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.045 -3.777 -1.672 1.00 0.00 H new ATOM 1542 N TYR A 98 4.228 -4.118 3.329 1.00 0.00 N ATOM 1543 CA TYR A 98 4.237 -4.789 4.618 1.00 0.00 C ATOM 1544 C TYR A 98 3.130 -4.259 5.518 1.00 0.00 C ATOM 1545 O TYR A 98 3.154 -3.097 5.921 1.00 0.00 O ATOM 1546 CB TYR A 98 5.594 -4.599 5.307 1.00 0.00 C ATOM 1547 CG TYR A 98 6.733 -5.329 4.632 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.244 -4.893 3.417 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.298 -6.454 5.216 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.283 -5.561 2.800 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.340 -7.126 4.605 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.828 -6.676 3.398 1.00 0.00 C ATOM 1553 OH TYR A 98 9.860 -7.348 2.784 1.00 0.00 O ATOM 0 H TYR A 98 4.556 -3.152 3.354 1.00 0.00 H new ATOM 0 HA TYR A 98 4.065 -5.851 4.443 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.827 -3.535 5.341 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.517 -4.941 6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.822 -4.017 2.947 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.918 -6.810 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.667 -5.211 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.770 -8.000 5.072 1.00 0.00 H new ATOM 0 HH TYR A 98 10.129 -8.110 3.338 1.00 0.00 H new ATOM 1563 N PHE A 99 2.165 -5.112 5.824 1.00 0.00 N ATOM 1564 CA PHE A 99 1.131 -4.786 6.797 1.00 0.00 C ATOM 1565 C PHE A 99 1.360 -5.603 8.053 1.00 0.00 C ATOM 1566 O PHE A 99 1.213 -6.824 8.032 1.00 0.00 O ATOM 1567 CB PHE A 99 -0.267 -5.102 6.255 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.678 -4.287 5.064 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -1.056 -2.964 5.211 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.697 -4.850 3.798 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.445 -2.215 4.119 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -1.089 -4.107 2.703 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.463 -2.787 2.863 1.00 0.00 C ATOM 0 H PHE A 99 2.075 -6.040 5.411 1.00 0.00 H new ATOM 0 HA PHE A 99 1.188 -3.718 7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.308 -6.158 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.994 -4.947 7.052 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.047 -2.512 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.402 -5.881 3.667 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.735 -1.183 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.103 -4.557 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.769 -2.204 2.007 1.00 0.00 H new ATOM 1583 N GLN A 100 1.727 -4.947 9.141 1.00 0.00 N ATOM 1584 CA GLN A 100 2.037 -5.668 10.360 1.00 0.00 C ATOM 1585 C GLN A 100 1.220 -5.173 11.539 1.00 0.00 C ATOM 1586 O GLN A 100 0.967 -3.973 11.703 1.00 0.00 O ATOM 1587 CB GLN A 100 3.526 -5.588 10.695 1.00 0.00 C ATOM 1588 CG GLN A 100 4.020 -4.183 10.988 1.00 0.00 C ATOM 1589 CD GLN A 100 5.473 -4.161 11.413 1.00 0.00 C ATOM 1590 OE1 GLN A 100 5.971 -5.108 12.024 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.165 -3.084 11.091 1.00 0.00 N ATOM 0 H GLN A 100 1.816 -3.933 9.204 1.00 0.00 H new ATOM 0 HA GLN A 100 1.773 -6.709 10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.727 -6.220 11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.098 -5.996 9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.894 -3.564 10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.407 -3.741 11.774 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.715 -2.321 10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.149 -3.014 11.349 1.00 0.00 H new ATOM 1600 N ASP A 101 0.809 -6.126 12.346 1.00 0.00 N ATOM 1601 CA ASP A 101 0.124 -5.862 13.593 1.00 0.00 C ATOM 1602 C ASP A 101 1.131 -5.846 14.741 1.00 0.00 C ATOM 1603 O ASP A 101 2.222 -6.412 14.625 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.968 -6.919 13.821 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.153 -7.279 15.279 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.741 -6.473 16.031 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -0.682 -8.361 15.678 1.00 0.00 O ATOM 0 H ASP A 101 0.943 -7.119 12.153 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.356 -4.884 13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.912 -6.549 13.422 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.716 -7.819 13.260 1.00 0.00 H new ATOM 1612 N SER A 102 0.756 -5.200 15.835 1.00 0.00 N ATOM 1613 CA SER A 102 1.625 -5.026 16.992 1.00 0.00 C ATOM 1614 C SER A 102 2.120 -6.359 17.570 1.00 0.00 C ATOM 1615 O SER A 102 3.196 -6.418 18.169 1.00 0.00 O ATOM 1616 CB SER A 102 0.871 -4.236 18.059 1.00 0.00 C ATOM 1617 OG SER A 102 -0.460 -4.718 18.203 1.00 0.00 O ATOM 0 H SER A 102 -0.166 -4.778 15.947 1.00 0.00 H new ATOM 0 HA SER A 102 2.512 -4.482 16.667 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.395 -4.313 19.012 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.852 -3.180 17.790 1.00 0.00 H new ATOM 0 HG SER A 102 -0.455 -5.536 18.743 1.00 0.00 H new ATOM 1623 N PHE A 103 1.349 -7.424 17.383 1.00 0.00 N ATOM 1624 CA PHE A 103 1.686 -8.715 17.969 1.00 0.00 C ATOM 1625 C PHE A 103 2.488 -9.570 16.993 1.00 0.00 C ATOM 1626 O PHE A 103 2.922 -10.672 17.328 1.00 0.00 O ATOM 1627 CB PHE A 103 0.416 -9.442 18.409 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.447 -8.604 19.306 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -0.020 -8.265 20.580 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -1.675 -8.140 18.868 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -0.805 -7.481 21.401 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -2.464 -7.354 19.684 1.00 0.00 C ATOM 1633 CZ PHE A 103 -2.028 -7.024 20.951 1.00 0.00 C ATOM 0 H PHE A 103 0.490 -7.419 16.833 1.00 0.00 H new ATOM 0 HA PHE A 103 2.310 -8.540 18.846 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.156 -9.732 17.528 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.689 -10.361 18.928 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.937 -8.618 20.934 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.020 -8.396 17.877 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -0.464 -7.225 22.393 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.421 -6.998 19.331 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.643 -6.408 21.591 1.00 0.00 H new ATOM 1643 N GLY A 104 2.693 -9.055 15.787 1.00 0.00 N ATOM 1644 CA GLY A 104 3.546 -9.735 14.833 1.00 0.00 C ATOM 1645 C GLY A 104 2.790 -10.331 13.662 1.00 0.00 C ATOM 1646 O GLY A 104 3.358 -11.093 12.878 1.00 0.00 O ATOM 0 H GLY A 104 2.285 -8.182 15.454 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.288 -9.032 14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.090 -10.528 15.345 1.00 0.00 H new ATOM 1650 N GLN A 105 1.512 -10.005 13.540 1.00 0.00 N ATOM 1651 CA GLN A 105 0.725 -10.460 12.405 1.00 0.00 C ATOM 1652 C GLN A 105 1.114 -9.664 11.164 1.00 0.00 C ATOM 1653 O GLN A 105 0.751 -8.500 11.027 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.772 -10.312 12.699 1.00 0.00 C ATOM 1655 CG GLN A 105 -1.676 -10.791 11.573 1.00 0.00 C ATOM 1656 CD GLN A 105 -1.507 -12.267 11.260 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -1.700 -12.693 10.123 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -1.156 -13.057 12.264 1.00 0.00 N ATOM 0 H GLN A 105 1.000 -9.430 14.209 1.00 0.00 H new ATOM 0 HA GLN A 105 0.929 -11.516 12.225 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.010 -10.870 13.604 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.989 -9.264 12.904 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.715 -10.600 11.843 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.467 -10.209 10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.005 -12.664 13.193 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.037 -14.058 12.108 1.00 0.00 H new ATOM 1667 N LEU A 106 1.874 -10.287 10.280 1.00 0.00 N ATOM 1668 CA LEU A 106 2.402 -9.600 9.111 1.00 0.00 C ATOM 1669 C LEU A 106 1.866 -10.199 7.817 1.00 0.00 C ATOM 1670 O LEU A 106 1.998 -11.397 7.574 1.00 0.00 O ATOM 1671 CB LEU A 106 3.932 -9.667 9.117 1.00 0.00 C ATOM 1672 CG LEU A 106 4.625 -9.105 7.870 1.00 0.00 C ATOM 1673 CD1 LEU A 106 4.388 -7.609 7.742 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.116 -9.400 7.910 1.00 0.00 C ATOM 0 H LEU A 106 2.140 -11.269 10.349 1.00 0.00 H new ATOM 0 HA LEU A 106 2.077 -8.561 9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.298 -9.125 9.989 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.232 -10.708 9.239 1.00 0.00 H new ATOM 0 HG LEU A 106 4.194 -9.595 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.890 -7.236 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.318 -7.415 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.785 -7.101 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.591 -8.994 7.017 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.554 -8.940 8.796 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.273 -10.478 7.946 1.00 0.00 H new ATOM 1686 N GLN A 107 1.262 -9.355 6.996 1.00 0.00 N ATOM 1687 CA GLN A 107 0.860 -9.739 5.653 1.00 0.00 C ATOM 1688 C GLN A 107 1.724 -9.010 4.636 1.00 0.00 C ATOM 1689 O GLN A 107 1.628 -7.790 4.486 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.615 -9.421 5.394 1.00 0.00 C ATOM 1691 CG GLN A 107 -1.587 -10.309 6.152 1.00 0.00 C ATOM 1692 CD GLN A 107 -3.024 -10.108 5.707 1.00 0.00 C ATOM 1693 OE1 GLN A 107 -3.960 -10.271 6.488 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -3.206 -9.753 4.443 1.00 0.00 N ATOM 0 H GLN A 107 1.038 -8.390 7.240 1.00 0.00 H new ATOM 0 HA GLN A 107 0.994 -10.816 5.556 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.804 -8.382 5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.813 -9.514 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.308 -11.353 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.508 -10.101 7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.402 -9.628 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -4.150 -9.605 4.086 1.00 0.00 H new ATOM 1703 N GLN A 108 2.588 -9.750 3.962 1.00 0.00 N ATOM 1704 CA GLN A 108 3.458 -9.166 2.959 1.00 0.00 C ATOM 1705 C GLN A 108 2.840 -9.336 1.582 1.00 0.00 C ATOM 1706 O GLN A 108 2.627 -10.459 1.119 1.00 0.00 O ATOM 1707 CB GLN A 108 4.844 -9.814 3.017 1.00 0.00 C ATOM 1708 CG GLN A 108 5.978 -8.867 2.648 1.00 0.00 C ATOM 1709 CD GLN A 108 6.298 -8.820 1.163 1.00 0.00 C ATOM 1710 OE1 GLN A 108 5.437 -9.039 0.313 1.00 0.00 O ATOM 1711 NE2 GLN A 108 7.546 -8.522 0.844 1.00 0.00 N ATOM 0 H GLN A 108 2.705 -10.755 4.092 1.00 0.00 H new ATOM 0 HA GLN A 108 3.573 -8.101 3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.015 -10.197 4.023 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.864 -10.670 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.720 -7.863 2.984 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.875 -9.164 3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.232 -8.347 1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.823 -8.467 -0.136 1.00 0.00 H new ATOM 1720 N LEU A 109 2.531 -8.221 0.944 1.00 0.00 N ATOM 1721 CA LEU A 109 1.925 -8.240 -0.376 1.00 0.00 C ATOM 1722 C LEU A 109 2.905 -7.693 -1.409 1.00 0.00 C ATOM 1723 O LEU A 109 3.297 -6.528 -1.351 1.00 0.00 O ATOM 1724 CB LEU A 109 0.637 -7.409 -0.385 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.374 -7.732 0.725 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.639 -6.910 0.546 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.707 -9.214 0.744 1.00 0.00 C ATOM 0 H LEU A 109 2.691 -7.287 1.321 1.00 0.00 H new ATOM 0 HA LEU A 109 1.678 -9.271 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.906 -6.355 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.146 -7.545 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 109 0.081 -7.473 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.345 -7.151 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.393 -5.849 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.088 -7.139 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.425 -9.415 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.137 -9.503 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.202 -9.789 0.922 1.00 0.00 H new ATOM 1739 N THR A 110 3.309 -8.534 -2.342 1.00 0.00 N ATOM 1740 CA THR A 110 4.241 -8.124 -3.378 1.00 0.00 C ATOM 1741 C THR A 110 3.496 -7.811 -4.672 1.00 0.00 C ATOM 1742 O THR A 110 2.883 -8.696 -5.273 1.00 0.00 O ATOM 1743 CB THR A 110 5.286 -9.224 -3.648 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.805 -9.722 -2.405 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.431 -8.686 -4.498 1.00 0.00 C ATOM 0 H THR A 110 3.007 -9.506 -2.405 1.00 0.00 H new ATOM 0 HA THR A 110 4.753 -7.228 -3.027 1.00 0.00 H new ATOM 0 HB THR A 110 4.798 -10.033 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.503 -9.147 -1.671 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.156 -9.480 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.041 -8.331 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.916 -7.862 -3.975 1.00 0.00 H new ATOM 1753 N PHE A 111 3.536 -6.557 -5.092 1.00 0.00 N ATOM 1754 CA PHE A 111 2.864 -6.150 -6.317 1.00 0.00 C ATOM 1755 C PHE A 111 3.872 -5.705 -7.367 1.00 0.00 C ATOM 1756 O PHE A 111 4.603 -4.739 -7.161 1.00 0.00 O ATOM 1757 CB PHE A 111 1.880 -5.010 -6.040 1.00 0.00 C ATOM 1758 CG PHE A 111 0.749 -5.382 -5.122 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.293 -6.181 -5.571 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.725 -4.927 -3.814 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.337 -6.516 -4.730 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.318 -5.258 -2.970 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.350 -6.055 -3.427 1.00 0.00 C ATOM 0 H PHE A 111 4.024 -5.805 -4.606 1.00 0.00 H new ATOM 0 HA PHE A 111 2.316 -7.012 -6.696 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.425 -4.172 -5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.466 -4.664 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.288 -6.545 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.530 -4.307 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.143 -7.138 -5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.326 -4.894 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.165 -6.317 -2.768 1.00 0.00 H new ATOM 1773 N SER A 112 3.904 -6.407 -8.485 1.00 0.00 N ATOM 1774 CA SER A 112 4.725 -6.005 -9.614 1.00 0.00 C ATOM 1775 C SER A 112 3.851 -5.863 -10.849 1.00 0.00 C ATOM 1776 O SER A 112 3.312 -6.845 -11.359 1.00 0.00 O ATOM 1777 CB SER A 112 5.839 -7.019 -9.871 1.00 0.00 C ATOM 1778 OG SER A 112 6.500 -7.374 -8.666 1.00 0.00 O ATOM 0 H SER A 112 3.369 -7.262 -8.636 1.00 0.00 H new ATOM 0 HA SER A 112 5.190 -5.047 -9.383 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.421 -7.912 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.559 -6.601 -10.574 1.00 0.00 H new ATOM 0 HG SER A 112 7.206 -8.025 -8.860 1.00 0.00 H new ATOM 1784 N PHE A 113 3.697 -4.637 -11.315 1.00 0.00 N ATOM 1785 CA PHE A 113 2.830 -4.354 -12.447 1.00 0.00 C ATOM 1786 C PHE A 113 3.615 -4.468 -13.742 1.00 0.00 C ATOM 1787 O PHE A 113 4.514 -3.662 -13.995 1.00 0.00 O ATOM 1788 CB PHE A 113 2.215 -2.954 -12.325 1.00 0.00 C ATOM 1789 CG PHE A 113 1.216 -2.806 -11.205 1.00 0.00 C ATOM 1790 CD1 PHE A 113 1.471 -3.326 -9.943 1.00 0.00 C ATOM 1791 CD2 PHE A 113 0.021 -2.135 -11.416 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.557 -3.180 -8.919 1.00 0.00 C ATOM 1793 CE2 PHE A 113 -0.896 -1.984 -10.392 1.00 0.00 C ATOM 1794 CZ PHE A 113 -0.627 -2.508 -9.142 1.00 0.00 C ATOM 0 H PHE A 113 4.163 -3.817 -10.926 1.00 0.00 H new ATOM 0 HA PHE A 113 2.021 -5.084 -12.453 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.017 -2.230 -12.178 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.727 -2.702 -13.266 1.00 0.00 H new ATOM 0 HD1 PHE A 113 2.397 -3.852 -9.760 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -0.196 -1.726 -12.391 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.769 -3.592 -7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.822 -1.457 -10.569 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.342 -2.392 -8.341 1.00 0.00 H new ATOM 1804 N ASN A 114 3.287 -5.493 -14.533 1.00 0.00 N ATOM 1805 CA ASN A 114 3.940 -5.744 -15.820 1.00 0.00 C ATOM 1806 C ASN A 114 5.392 -6.199 -15.606 1.00 0.00 C ATOM 1807 O ASN A 114 5.888 -6.236 -14.478 1.00 0.00 O ATOM 1808 CB ASN A 114 3.862 -4.485 -16.710 1.00 0.00 C ATOM 1809 CG ASN A 114 4.280 -4.723 -18.153 1.00 0.00 C ATOM 1810 OD1 ASN A 114 3.479 -5.161 -18.979 1.00 0.00 O ATOM 1811 ND2 ASN A 114 5.526 -4.412 -18.476 1.00 0.00 N ATOM 0 H ASN A 114 2.562 -6.171 -14.299 1.00 0.00 H new ATOM 0 HA ASN A 114 3.417 -6.550 -16.335 1.00 0.00 H new ATOM 0 HB2 ASN A 114 2.841 -4.105 -16.696 1.00 0.00 H new ATOM 0 HB3 ASN A 114 4.497 -3.709 -16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 114 5.849 -4.533 -19.436 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.162 -4.051 -17.765 1.00 0.00 H new ATOM 1818 N ASN A 115 6.060 -6.580 -16.684 1.00 0.00 N ATOM 1819 CA ASN A 115 7.448 -7.026 -16.616 1.00 0.00 C ATOM 1820 C ASN A 115 8.395 -5.834 -16.802 1.00 0.00 C ATOM 1821 O ASN A 115 7.985 -4.686 -16.612 1.00 0.00 O ATOM 1822 CB ASN A 115 7.702 -8.102 -17.682 1.00 0.00 C ATOM 1823 CG ASN A 115 7.581 -7.574 -19.101 1.00 0.00 C ATOM 1824 OD1 ASN A 115 6.481 -7.455 -19.640 1.00 0.00 O ATOM 1825 ND2 ASN A 115 8.714 -7.287 -19.725 1.00 0.00 N ATOM 0 H ASN A 115 5.662 -6.590 -17.623 1.00 0.00 H new ATOM 0 HA ASN A 115 7.639 -7.461 -15.635 1.00 0.00 H new ATOM 0 HB2 ASN A 115 8.699 -8.518 -17.539 1.00 0.00 H new ATOM 0 HB3 ASN A 115 6.993 -8.918 -17.542 1.00 0.00 H new ATOM 0 HD21 ASN A 115 8.695 -6.953 -20.689 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.605 -7.400 -19.242 1.00 0.00 H new ATOM 1832 N ASP A 116 9.653 -6.128 -17.159 1.00 0.00 N ATOM 1833 CA ASP A 116 10.703 -5.114 -17.371 1.00 0.00 C ATOM 1834 C ASP A 116 11.349 -4.702 -16.056 1.00 0.00 C ATOM 1835 O ASP A 116 12.018 -3.671 -15.978 1.00 0.00 O ATOM 1836 CB ASP A 116 10.194 -3.867 -18.114 1.00 0.00 C ATOM 1837 CG ASP A 116 10.073 -4.070 -19.611 1.00 0.00 C ATOM 1838 OD1 ASP A 116 11.118 -4.233 -20.275 1.00 0.00 O ATOM 1839 OD2 ASP A 116 8.936 -4.048 -20.134 1.00 0.00 O ATOM 0 H ASP A 116 9.976 -7.083 -17.311 1.00 0.00 H new ATOM 0 HA ASP A 116 11.451 -5.590 -18.005 1.00 0.00 H new ATOM 0 HB2 ASP A 116 9.221 -3.585 -17.713 1.00 0.00 H new ATOM 0 HB3 ASP A 116 10.871 -3.035 -17.921 1.00 0.00 H new ATOM 1844 N SER A 117 11.164 -5.518 -15.029 1.00 0.00 N ATOM 1845 CA SER A 117 11.820 -5.283 -13.757 1.00 0.00 C ATOM 1846 C SER A 117 13.200 -5.940 -13.790 1.00 0.00 C ATOM 1847 O SER A 117 13.322 -7.167 -13.719 1.00 0.00 O ATOM 1848 CB SER A 117 10.972 -5.836 -12.601 1.00 0.00 C ATOM 1849 OG SER A 117 11.396 -5.317 -11.350 1.00 0.00 O ATOM 0 H SER A 117 10.567 -6.345 -15.054 1.00 0.00 H new ATOM 0 HA SER A 117 11.934 -4.212 -13.592 1.00 0.00 H new ATOM 0 HB2 SER A 117 9.924 -5.584 -12.764 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.040 -6.924 -12.587 1.00 0.00 H new ATOM 0 HG SER A 117 10.836 -5.687 -10.636 1.00 0.00 H new ATOM 1855 N SER A 118 14.231 -5.119 -13.953 1.00 0.00 N ATOM 1856 CA SER A 118 15.593 -5.606 -14.114 1.00 0.00 C ATOM 1857 C SER A 118 16.123 -6.248 -12.836 1.00 0.00 C ATOM 1858 O SER A 118 16.223 -5.596 -11.792 1.00 0.00 O ATOM 1859 CB SER A 118 16.502 -4.459 -14.550 1.00 0.00 C ATOM 1860 OG SER A 118 16.072 -3.920 -15.790 1.00 0.00 O ATOM 0 H SER A 118 14.146 -4.103 -13.977 1.00 0.00 H new ATOM 0 HA SER A 118 15.585 -6.378 -14.884 1.00 0.00 H new ATOM 0 HB2 SER A 118 16.501 -3.679 -13.789 1.00 0.00 H new ATOM 0 HB3 SER A 118 17.528 -4.816 -14.639 1.00 0.00 H new ATOM 0 HG SER A 118 16.666 -3.186 -16.051 1.00 0.00 H new ATOM 1866 N LYS A 119 16.464 -7.527 -12.937 1.00 0.00 N ATOM 1867 CA LYS A 119 16.997 -8.285 -11.813 1.00 0.00 C ATOM 1868 C LYS A 119 18.492 -8.027 -11.658 1.00 0.00 C ATOM 1869 O LYS A 119 18.961 -7.616 -10.596 1.00 0.00 O ATOM 1870 CB LYS A 119 16.777 -9.786 -12.038 1.00 0.00 C ATOM 1871 CG LYS A 119 15.335 -10.177 -12.329 1.00 0.00 C ATOM 1872 CD LYS A 119 15.242 -11.637 -12.751 1.00 0.00 C ATOM 1873 CE LYS A 119 16.000 -11.888 -14.049 1.00 0.00 C ATOM 1874 NZ LYS A 119 16.058 -13.332 -14.404 1.00 0.00 N ATOM 0 H LYS A 119 16.379 -8.066 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 119 16.476 -7.965 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 119 17.403 -10.111 -12.869 1.00 0.00 H new ATOM 0 HB3 LYS A 119 17.115 -10.326 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 119 14.723 -10.011 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.933 -9.540 -13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 119 15.646 -12.272 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 119 14.196 -11.915 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 119 15.521 -11.337 -14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 119 17.014 -11.499 -13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 16.583 -13.450 -15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 16.539 -13.857 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 15.092 -13.700 -14.521 1.00 0.00 H new ATOM 1888 N GLU A 120 19.226 -8.255 -12.740 1.00 0.00 N ATOM 1889 CA GLU A 120 20.682 -8.211 -12.708 1.00 0.00 C ATOM 1890 C GLU A 120 21.194 -6.796 -12.932 1.00 0.00 C ATOM 1891 O GLU A 120 22.275 -6.434 -12.467 1.00 0.00 O ATOM 1892 CB GLU A 120 21.255 -9.149 -13.769 1.00 0.00 C ATOM 1893 CG GLU A 120 20.732 -10.573 -13.672 1.00 0.00 C ATOM 1894 CD GLU A 120 21.074 -11.236 -12.353 1.00 0.00 C ATOM 1895 OE1 GLU A 120 20.351 -11.013 -11.365 1.00 0.00 O ATOM 1896 OE2 GLU A 120 22.065 -11.995 -12.304 1.00 0.00 O ATOM 0 H GLU A 120 18.834 -8.474 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 120 21.011 -8.538 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 120 21.021 -8.752 -14.757 1.00 0.00 H new ATOM 0 HB3 GLU A 120 22.341 -9.163 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 120 19.650 -10.567 -13.800 1.00 0.00 H new ATOM 0 HG3 GLU A 120 21.147 -11.164 -14.489 1.00 0.00 H new ATOM 1903 N GLU A 121 20.404 -5.989 -13.632 1.00 0.00 N ATOM 1904 CA GLU A 121 20.774 -4.601 -13.900 1.00 0.00 C ATOM 1905 C GLU A 121 20.403 -3.721 -12.709 1.00 0.00 C ATOM 1906 O GLU A 121 19.983 -2.573 -12.865 1.00 0.00 O ATOM 1907 CB GLU A 121 20.085 -4.100 -15.170 1.00 0.00 C ATOM 1908 CG GLU A 121 20.278 -5.014 -16.371 1.00 0.00 C ATOM 1909 CD GLU A 121 21.734 -5.342 -16.648 1.00 0.00 C ATOM 1910 OE1 GLU A 121 22.389 -4.587 -17.396 1.00 0.00 O ATOM 1911 OE2 GLU A 121 22.227 -6.370 -16.137 1.00 0.00 O ATOM 0 H GLU A 121 19.505 -6.270 -14.024 1.00 0.00 H new ATOM 0 HA GLU A 121 21.852 -4.549 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 121 19.018 -3.991 -14.975 1.00 0.00 H new ATOM 0 HB3 GLU A 121 20.468 -3.109 -15.414 1.00 0.00 H new ATOM 0 HG2 GLU A 121 19.729 -5.941 -16.205 1.00 0.00 H new ATOM 0 HG3 GLU A 121 19.845 -4.541 -17.252 1.00 0.00 H new ATOM 1918 N GLU A 122 20.576 -4.286 -11.523 1.00 0.00 N ATOM 1919 CA GLU A 122 20.288 -3.610 -10.269 1.00 0.00 C ATOM 1920 C GLU A 122 21.166 -2.376 -10.106 1.00 0.00 C ATOM 1921 O GLU A 122 20.674 -1.256 -9.945 1.00 0.00 O ATOM 1922 CB GLU A 122 20.545 -4.583 -9.121 1.00 0.00 C ATOM 1923 CG GLU A 122 20.330 -3.998 -7.734 1.00 0.00 C ATOM 1924 CD GLU A 122 20.803 -4.940 -6.650 1.00 0.00 C ATOM 1925 OE1 GLU A 122 20.191 -6.012 -6.484 1.00 0.00 O ATOM 1926 OE2 GLU A 122 21.806 -4.623 -5.975 1.00 0.00 O ATOM 0 H GLU A 122 20.924 -5.237 -11.404 1.00 0.00 H new ATOM 0 HA GLU A 122 19.247 -3.287 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 122 19.892 -5.447 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.570 -4.946 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 122 20.864 -3.051 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 122 19.272 -3.781 -7.591 1.00 0.00 H new ATOM 1933 N LEU A 123 22.470 -2.595 -10.163 1.00 0.00 N ATOM 1934 CA LEU A 123 23.431 -1.529 -9.956 1.00 0.00 C ATOM 1935 C LEU A 123 23.743 -0.832 -11.268 1.00 0.00 C ATOM 1936 O LEU A 123 24.170 -1.468 -12.233 1.00 0.00 O ATOM 1937 CB LEU A 123 24.717 -2.081 -9.334 1.00 0.00 C ATOM 1938 CG LEU A 123 24.536 -2.796 -7.996 1.00 0.00 C ATOM 1939 CD1 LEU A 123 25.877 -3.276 -7.467 1.00 0.00 C ATOM 1940 CD2 LEU A 123 23.861 -1.878 -6.988 1.00 0.00 C ATOM 0 H LEU A 123 22.886 -3.507 -10.352 1.00 0.00 H new ATOM 0 HA LEU A 123 22.994 -0.803 -9.270 1.00 0.00 H new ATOM 0 HB2 LEU A 123 25.175 -2.774 -10.040 1.00 0.00 H new ATOM 0 HB3 LEU A 123 25.418 -1.258 -9.196 1.00 0.00 H new ATOM 0 HG LEU A 123 23.895 -3.664 -8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.731 -3.783 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 123 26.324 -3.968 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.539 -2.422 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 123 23.740 -2.404 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 123 24.476 -0.991 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 123 22.883 -1.580 -7.365 1.00 0.00 H new ATOM 1952 N GLU A 124 23.505 0.470 -11.302 1.00 0.00 N ATOM 1953 CA GLU A 124 23.811 1.276 -12.470 1.00 0.00 C ATOM 1954 C GLU A 124 25.327 1.343 -12.636 1.00 0.00 C ATOM 1955 O GLU A 124 26.044 1.664 -11.686 1.00 0.00 O ATOM 1956 CB GLU A 124 23.202 2.672 -12.294 1.00 0.00 C ATOM 1957 CG GLU A 124 22.809 3.360 -13.593 1.00 0.00 C ATOM 1958 CD GLU A 124 23.988 3.952 -14.333 1.00 0.00 C ATOM 1959 OE1 GLU A 124 24.434 5.054 -13.950 1.00 0.00 O ATOM 1960 OE2 GLU A 124 24.454 3.336 -15.311 1.00 0.00 O ATOM 0 H GLU A 124 23.098 0.993 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 124 23.384 0.833 -13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 124 22.319 2.592 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 124 23.918 3.302 -11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 124 22.306 2.641 -14.240 1.00 0.00 H new ATOM 0 HG3 GLU A 124 22.091 4.150 -13.375 1.00 0.00 H new ATOM 1967 N HIS A 125 25.805 1.013 -13.832 1.00 0.00 N ATOM 1968 CA HIS A 125 27.238 0.865 -14.074 1.00 0.00 C ATOM 1969 C HIS A 125 27.980 2.181 -13.881 1.00 0.00 C ATOM 1970 O HIS A 125 27.819 3.117 -14.668 1.00 0.00 O ATOM 1971 CB HIS A 125 27.498 0.327 -15.485 1.00 0.00 C ATOM 1972 CG HIS A 125 28.941 -0.001 -15.745 1.00 0.00 C ATOM 1973 ND1 HIS A 125 29.751 0.752 -16.564 1.00 0.00 N ATOM 1974 CD2 HIS A 125 29.713 -1.014 -15.288 1.00 0.00 C ATOM 1975 CE1 HIS A 125 30.957 0.219 -16.597 1.00 0.00 C ATOM 1976 NE2 HIS A 125 30.965 -0.854 -15.828 1.00 0.00 N ATOM 0 H HIS A 125 25.221 0.843 -14.650 1.00 0.00 H new ATOM 0 HA HIS A 125 27.615 0.150 -13.343 1.00 0.00 H new ATOM 0 HB2 HIS A 125 26.896 -0.569 -15.640 1.00 0.00 H new ATOM 0 HB3 HIS A 125 27.164 1.065 -16.214 1.00 0.00 H new ATOM 0 HD2 HIS A 125 29.401 -1.804 -14.621 1.00 0.00 H new ATOM 0 HE1 HIS A 125 31.798 0.597 -17.159 1.00 0.00 H new ATOM 0 HE2 HIS A 125 31.767 -1.462 -15.663 1.00 0.00 H new ATOM 1985 N HIS A 126 28.783 2.227 -12.820 1.00 0.00 N ATOM 1986 CA HIS A 126 29.652 3.362 -12.501 1.00 0.00 C ATOM 1987 C HIS A 126 28.858 4.545 -11.949 1.00 0.00 C ATOM 1988 O HIS A 126 29.207 5.079 -10.897 1.00 0.00 O ATOM 1989 CB HIS A 126 30.484 3.790 -13.718 1.00 0.00 C ATOM 1990 CG HIS A 126 31.642 4.675 -13.370 1.00 0.00 C ATOM 1991 ND1 HIS A 126 32.038 5.744 -14.143 1.00 0.00 N ATOM 1992 CD2 HIS A 126 32.518 4.617 -12.338 1.00 0.00 C ATOM 1993 CE1 HIS A 126 33.104 6.301 -13.606 1.00 0.00 C ATOM 1994 NE2 HIS A 126 33.416 5.639 -12.507 1.00 0.00 N ATOM 0 H HIS A 126 28.851 1.465 -12.145 1.00 0.00 H new ATOM 0 HA HIS A 126 30.337 3.028 -11.722 1.00 0.00 H new ATOM 0 HB2 HIS A 126 30.857 2.900 -14.224 1.00 0.00 H new ATOM 0 HB3 HIS A 126 29.838 4.311 -14.424 1.00 0.00 H new ATOM 0 HD2 HIS A 126 32.510 3.899 -11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 126 33.634 7.156 -13.999 1.00 0.00 H new ATOM 0 HE2 HIS A 126 34.197 5.853 -11.886 1.00 0.00 H new ATOM 2003 N HIS A 127 27.805 4.945 -12.666 1.00 0.00 N ATOM 2004 CA HIS A 127 26.928 6.055 -12.271 1.00 0.00 C ATOM 2005 C HIS A 127 27.630 7.409 -12.425 1.00 0.00 C ATOM 2006 O HIS A 127 27.164 8.278 -13.165 1.00 0.00 O ATOM 2007 CB HIS A 127 26.413 5.866 -10.838 1.00 0.00 C ATOM 2008 CG HIS A 127 25.455 6.930 -10.392 1.00 0.00 C ATOM 2009 ND1 HIS A 127 25.780 7.891 -9.461 1.00 0.00 N ATOM 2010 CD2 HIS A 127 24.168 7.168 -10.738 1.00 0.00 C ATOM 2011 CE1 HIS A 127 24.739 8.674 -9.256 1.00 0.00 C ATOM 2012 NE2 HIS A 127 23.745 8.259 -10.020 1.00 0.00 N ATOM 0 H HIS A 127 27.533 4.505 -13.545 1.00 0.00 H new ATOM 0 HA HIS A 127 26.070 6.050 -12.944 1.00 0.00 H new ATOM 0 HB2 HIS A 127 25.923 4.895 -10.763 1.00 0.00 H new ATOM 0 HB3 HIS A 127 27.263 5.847 -10.156 1.00 0.00 H new ATOM 0 HD2 HIS A 127 23.582 6.604 -11.448 1.00 0.00 H new ATOM 0 HE1 HIS A 127 24.705 9.514 -8.577 1.00 0.00 H new ATOM 0 HE2 HIS A 127 22.817 8.679 -10.069 1.00 0.00 H new ATOM 2021 N HIS A 128 28.742 7.585 -11.723 1.00 0.00 N ATOM 2022 CA HIS A 128 29.514 8.820 -11.782 1.00 0.00 C ATOM 2023 C HIS A 128 30.900 8.566 -11.190 1.00 0.00 C ATOM 2024 O HIS A 128 31.016 7.870 -10.185 1.00 0.00 O ATOM 2025 CB HIS A 128 28.789 9.930 -11.003 1.00 0.00 C ATOM 2026 CG HIS A 128 29.174 11.320 -11.412 1.00 0.00 C ATOM 2027 ND1 HIS A 128 29.669 12.263 -10.535 1.00 0.00 N ATOM 2028 CD2 HIS A 128 29.106 11.933 -12.618 1.00 0.00 C ATOM 2029 CE1 HIS A 128 29.894 13.391 -11.188 1.00 0.00 C ATOM 2030 NE2 HIS A 128 29.561 13.216 -12.449 1.00 0.00 N ATOM 0 H HIS A 128 29.133 6.879 -11.099 1.00 0.00 H new ATOM 0 HA HIS A 128 29.618 9.143 -12.818 1.00 0.00 H new ATOM 0 HB2 HIS A 128 27.714 9.809 -11.136 1.00 0.00 H new ATOM 0 HB3 HIS A 128 28.995 9.806 -9.940 1.00 0.00 H new ATOM 0 HD1 HIS A 128 29.835 12.114 -9.540 1.00 0.00 H new ATOM 0 HD2 HIS A 128 28.758 11.493 -13.541 1.00 0.00 H new ATOM 0 HE1 HIS A 128 30.285 14.302 -10.759 1.00 0.00 H new ATOM 2039 N HIS A 129 31.952 9.091 -11.824 1.00 0.00 N ATOM 2040 CA HIS A 129 33.317 8.890 -11.320 1.00 0.00 C ATOM 2041 C HIS A 129 33.473 9.410 -9.892 1.00 0.00 C ATOM 2042 O HIS A 129 34.201 8.831 -9.095 1.00 0.00 O ATOM 2043 CB HIS A 129 34.379 9.506 -12.256 1.00 0.00 C ATOM 2044 CG HIS A 129 34.128 10.923 -12.698 1.00 0.00 C ATOM 2045 ND1 HIS A 129 34.096 11.292 -14.024 1.00 0.00 N ATOM 2046 CD2 HIS A 129 33.940 12.066 -11.993 1.00 0.00 C ATOM 2047 CE1 HIS A 129 33.896 12.593 -14.118 1.00 0.00 C ATOM 2048 NE2 HIS A 129 33.797 13.083 -12.901 1.00 0.00 N ATOM 0 H HIS A 129 31.890 9.650 -12.675 1.00 0.00 H new ATOM 0 HA HIS A 129 33.488 7.814 -11.302 1.00 0.00 H new ATOM 0 HB2 HIS A 129 35.344 9.470 -11.751 1.00 0.00 H new ATOM 0 HB3 HIS A 129 34.460 8.879 -13.144 1.00 0.00 H new ATOM 0 HD2 HIS A 129 33.909 12.158 -10.917 1.00 0.00 H new ATOM 0 HE1 HIS A 129 33.826 13.158 -15.036 1.00 0.00 H new ATOM 0 HE2 HIS A 129 33.639 14.064 -12.670 1.00 0.00 H new ATOM 2057 N HIS A 130 32.787 10.505 -9.596 1.00 0.00 N ATOM 2058 CA HIS A 130 32.682 11.047 -8.245 1.00 0.00 C ATOM 2059 C HIS A 130 31.827 12.299 -8.284 1.00 0.00 C ATOM 2060 O HIS A 130 32.321 13.349 -8.725 1.00 0.00 O ATOM 2061 CB HIS A 130 34.051 11.317 -7.569 1.00 0.00 C ATOM 2062 CG HIS A 130 35.058 12.088 -8.377 1.00 0.00 C ATOM 2063 ND1 HIS A 130 36.093 11.478 -9.048 1.00 0.00 N ATOM 2064 CD2 HIS A 130 35.219 13.420 -8.580 1.00 0.00 C ATOM 2065 CE1 HIS A 130 36.843 12.393 -9.629 1.00 0.00 C ATOM 2066 NE2 HIS A 130 36.336 13.581 -9.363 1.00 0.00 N ATOM 2067 OXT HIS A 130 30.635 12.203 -7.933 1.00 0.00 O ATOM 0 H HIS A 130 32.281 11.050 -10.294 1.00 0.00 H new ATOM 0 HA HIS A 130 32.209 10.288 -7.622 1.00 0.00 H new ATOM 0 HB2 HIS A 130 33.872 11.859 -6.640 1.00 0.00 H new ATOM 0 HB3 HIS A 130 34.493 10.358 -7.298 1.00 0.00 H new ATOM 0 HD2 HIS A 130 34.586 14.207 -8.197 1.00 0.00 H new ATOM 0 HE1 HIS A 130 37.725 12.202 -10.223 1.00 0.00 H new ATOM 0 HE2 HIS A 130 36.712 14.473 -9.686 1.00 0.00 H new TER 2076 HIS A 130