USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 894 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 111 GLN :FLIP amide:sc= -0.798 F(o=-7.2,f=-5.4) USER MOD Set 1.2: A 114 LYS NZ :NH3+ -157:sc= -4.56! (180deg=-6.05!) USER MOD Set 2.1: A 79 SER OG : rot -112:sc= 0.143 USER MOD Set 2.2: A 109 THR OG1 : rot -94:sc= 0.315 USER MOD Set 3.1: A 88 TYR OH : rot -159:sc= 1.07 USER MOD Set 3.2: A 108 MET CE :methyl 167:sc= -9.96! (180deg=-11!) USER MOD Set 4.1: A 69 THR OG1 : rot 180:sc= -0.0143 USER MOD Set 4.2: A 70 GLN :FLIP amide:sc= -1.24 F(o=-2.6,f=-1.3) USER MOD Set 5.1: A 26 LYS NZ :NH3+ 174:sc= 0.0486 (180deg=0) USER MOD Set 5.2: A 30 ASN :FLIP amide:sc= -1.83 F(o=-5.8!,f=-1.8) USER MOD Set 6.1: A 24 THR OG1 : rot -150:sc= 0.0342 USER MOD Set 6.2: A 34 ASN : amide:sc= -3.83! C(o=-3.8!,f=-10!) USER MOD Set 7.1: A 23 CYS SG : rot -115:sc= -0.64 USER MOD Set 7.2: A 35 LYS NZ :NH3+ 165:sc= 0.109 (180deg=0) USER MOD Set 8.1: A 6 SER OG : rot -101:sc= 0.941 USER MOD Set 8.2: A 125 SER OG : rot 162:sc= 1.2 USER MOD Set 9.1: A 2 ASN : amide:sc= -2.87 K(o=-6.2,f=-8.2!) USER MOD Set 9.2: A 62 HIS : no HD1:sc= -3.3! C(o=-6.2!,f=-9!) USER MOD Single : A 4 SER OG : rot -160:sc= -1.28 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -11.4! C(o=-13!,f=-11!) USER MOD Single : A 11 GLN : amide:sc= -6.02! C(o=-6!,f=-6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.485 K(o=-0.49,f=-1.6!) USER MOD Single : A 20 SER OG : rot 80:sc= -3.91! USER MOD Single : A 37 THR OG1 : rot 60:sc= -0.767 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 46 SER OG : rot -170:sc= 0.0728 USER MOD Single : A 51 SER OG : rot -120:sc= -1.99! USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0191) USER MOD Single : A 57 GLN : amide:sc= 0.766 K(o=0.77,f=-0.08) USER MOD Single : A 58 THR OG1 : rot -2:sc= -1.06 USER MOD Single : A 61 SER OG : rot 98:sc= 1.19 USER MOD Single : A 65 ASN : amide:sc= -2.38 K(o=-2.4,f=-2.9!) USER MOD Single : A 73 THR OG1 : rot 59:sc= 0.453 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -0.478 (180deg=-0.551) USER MOD Single : A 78 GLN : amide:sc= -0.962 X(o=-0.96,f=-1.1) USER MOD Single : A 80 THR OG1 : rot -103:sc= -0.0517 USER MOD Single : A 87 ASN :FLIP amide:sc= -4.1! C(o=-6.7!,f=-4.1!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.257 F(o=-0.92,f=-0.26) USER MOD Single : A 98 SER OG : rot 55:sc= -0.269 USER MOD Single : A 102 SER OG : rot -150:sc= -0.92 USER MOD Single : A 105 SER OG : rot 4:sc= 0.828 USER MOD Single : A 107 GLN :FLIP amide:sc= -12.5! C(o=-16!,f=-13!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -1.464 6.941 -10.183 1.00 0.00 N ATOM 21 CA ASN A 2 -1.833 7.810 -9.071 1.00 0.00 C ATOM 22 C ASN A 2 -0.824 8.944 -8.908 1.00 0.00 C ATOM 23 O ASN A 2 -0.040 9.227 -9.814 1.00 0.00 O ATOM 24 CB ASN A 2 -1.949 6.995 -7.774 1.00 0.00 C ATOM 25 CG ASN A 2 -0.641 6.891 -7.004 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.513 7.428 -5.904 1.00 0.00 O ATOM 27 ND2 ASN A 2 0.337 6.201 -7.579 1.00 0.00 N ATOM 0 HA ASN A 2 -2.804 8.254 -9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.703 7.452 -7.133 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.301 5.992 -8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.236 6.101 -7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.189 5.771 -8.492 1.00 0.00 H new ATOM 34 N LEU A 3 -0.846 9.584 -7.744 1.00 0.00 N ATOM 35 CA LEU A 3 0.070 10.680 -7.461 1.00 0.00 C ATOM 36 C LEU A 3 1.506 10.158 -7.331 1.00 0.00 C ATOM 37 O LEU A 3 1.773 8.989 -7.609 1.00 0.00 O ATOM 38 CB LEU A 3 -0.370 11.423 -6.191 1.00 0.00 C ATOM 39 CG LEU A 3 -0.408 10.578 -4.921 1.00 0.00 C ATOM 40 CD1 LEU A 3 0.998 10.330 -4.422 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.245 11.257 -3.844 1.00 0.00 C ATOM 0 H LEU A 3 -1.488 9.362 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 3 0.046 11.385 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.306 12.263 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.363 11.841 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.873 9.620 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.961 9.726 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.568 9.802 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.480 11.283 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.258 10.636 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.813 12.229 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.264 11.392 -4.206 1.00 0.00 H new ATOM 53 N SER A 4 2.427 11.029 -6.928 1.00 0.00 N ATOM 54 CA SER A 4 3.835 10.655 -6.786 1.00 0.00 C ATOM 55 C SER A 4 4.040 9.595 -5.706 1.00 0.00 C ATOM 56 O SER A 4 3.551 9.726 -4.586 1.00 0.00 O ATOM 57 CB SER A 4 4.679 11.892 -6.470 1.00 0.00 C ATOM 58 OG SER A 4 3.870 12.957 -6.001 1.00 0.00 O ATOM 0 H SER A 4 2.225 12.001 -6.693 1.00 0.00 H new ATOM 0 HA SER A 4 4.156 10.225 -7.735 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.428 11.642 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.217 12.207 -7.364 1.00 0.00 H new ATOM 0 HG SER A 4 4.351 13.804 -6.107 1.00 0.00 H new ATOM 64 N LEU A 5 4.775 8.543 -6.057 1.00 0.00 N ATOM 65 CA LEU A 5 5.053 7.450 -5.126 1.00 0.00 C ATOM 66 C LEU A 5 5.596 7.957 -3.795 1.00 0.00 C ATOM 67 O LEU A 5 4.949 7.806 -2.765 1.00 0.00 O ATOM 68 CB LEU A 5 6.041 6.462 -5.738 1.00 0.00 C ATOM 69 CG LEU A 5 6.158 5.113 -5.014 1.00 0.00 C ATOM 70 CD1 LEU A 5 5.270 5.038 -3.788 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.840 3.963 -5.948 1.00 0.00 C ATOM 0 H LEU A 5 5.190 8.423 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 5 4.105 6.947 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.750 6.276 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.026 6.928 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 5 7.193 5.030 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.389 4.065 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.552 5.823 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.230 5.172 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.931 3.020 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.822 4.070 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.538 3.971 -6.785 1.00 0.00 H new ATOM 83 N SER A 6 6.788 8.545 -3.812 1.00 0.00 N ATOM 84 CA SER A 6 7.401 9.049 -2.588 1.00 0.00 C ATOM 85 C SER A 6 6.423 9.905 -1.786 1.00 0.00 C ATOM 86 O SER A 6 6.489 9.947 -0.555 1.00 0.00 O ATOM 87 CB SER A 6 8.656 9.850 -2.925 1.00 0.00 C ATOM 88 OG SER A 6 9.310 9.308 -4.059 1.00 0.00 O ATOM 0 H SER A 6 7.346 8.684 -4.654 1.00 0.00 H new ATOM 0 HA SER A 6 7.677 8.194 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.389 10.889 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.335 9.847 -2.072 1.00 0.00 H new ATOM 0 HG SER A 6 10.075 8.769 -3.769 1.00 0.00 H new ATOM 94 N ASP A 7 5.505 10.568 -2.485 1.00 0.00 N ATOM 95 CA ASP A 7 4.509 11.407 -1.830 1.00 0.00 C ATOM 96 C ASP A 7 3.472 10.540 -1.144 1.00 0.00 C ATOM 97 O ASP A 7 3.093 10.789 -0.002 1.00 0.00 O ATOM 98 CB ASP A 7 3.826 12.330 -2.842 1.00 0.00 C ATOM 99 CG ASP A 7 4.786 13.334 -3.449 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.864 12.916 -3.919 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.458 14.540 -3.455 1.00 0.00 O ATOM 0 H ASP A 7 5.431 10.540 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 7 5.015 12.023 -1.086 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.383 11.729 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.010 12.862 -2.352 1.00 0.00 H new ATOM 106 N LEU A 8 3.024 9.516 -1.858 1.00 0.00 N ATOM 107 CA LEU A 8 2.031 8.591 -1.339 1.00 0.00 C ATOM 108 C LEU A 8 2.643 7.661 -0.301 1.00 0.00 C ATOM 109 O LEU A 8 1.965 7.231 0.626 1.00 0.00 O ATOM 110 CB LEU A 8 1.445 7.765 -2.477 1.00 0.00 C ATOM 111 CG LEU A 8 0.165 7.008 -2.140 1.00 0.00 C ATOM 112 CD1 LEU A 8 -1.046 7.744 -2.693 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.238 5.596 -2.691 1.00 0.00 C ATOM 0 H LEU A 8 3.337 9.306 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 8 1.242 9.173 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.245 8.427 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.196 7.047 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 8 0.060 6.951 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.952 7.192 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.097 8.741 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.958 7.828 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.680 5.062 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.358 5.634 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.089 5.077 -2.250 1.00 0.00 H new ATOM 125 N HIS A 9 3.930 7.366 -0.463 1.00 0.00 N ATOM 126 CA HIS A 9 4.642 6.495 0.460 1.00 0.00 C ATOM 127 C HIS A 9 4.777 7.188 1.792 1.00 0.00 C ATOM 128 O HIS A 9 4.381 6.667 2.835 1.00 0.00 O ATOM 129 CB HIS A 9 6.035 6.165 -0.085 1.00 0.00 C ATOM 130 CG HIS A 9 7.023 5.781 0.977 1.00 0.00 C ATOM 131 ND1 HIS A 9 8.017 6.493 1.560 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 7.043 4.539 1.576 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 8.610 5.677 2.491 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 8.006 4.505 2.482 1.00 0.00 N flip ATOM 0 H HIS A 9 4.501 7.721 -1.230 1.00 0.00 H new ATOM 0 HA HIS A 9 4.081 5.568 0.577 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.951 5.349 -0.803 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.417 7.029 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.377 3.722 1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.438 5.951 3.128 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.241 3.708 3.073 1.00 0.00 H new ATOM 143 N ARG A 10 5.331 8.382 1.735 1.00 0.00 N ATOM 144 CA ARG A 10 5.513 9.180 2.928 1.00 0.00 C ATOM 145 C ARG A 10 4.151 9.518 3.509 1.00 0.00 C ATOM 146 O ARG A 10 3.961 9.527 4.720 1.00 0.00 O ATOM 147 CB ARG A 10 6.304 10.446 2.609 1.00 0.00 C ATOM 148 CG ARG A 10 5.600 11.387 1.654 1.00 0.00 C ATOM 149 CD ARG A 10 6.581 12.353 1.004 1.00 0.00 C ATOM 150 NE ARG A 10 6.198 13.747 1.211 1.00 0.00 N ATOM 151 CZ ARG A 10 6.586 14.749 0.424 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.372 14.519 -0.620 1.00 0.00 N ATOM 153 NH2 ARG A 10 6.190 15.987 0.685 1.00 0.00 N ATOM 0 H ARG A 10 5.662 8.820 0.876 1.00 0.00 H new ATOM 0 HA ARG A 10 6.084 8.614 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.512 10.976 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.266 10.163 2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.089 10.810 0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.836 11.948 2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.578 12.187 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.637 12.148 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 10 5.597 13.966 2.006 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.683 13.569 -0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.665 15.292 -1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.589 16.172 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.487 16.755 0.083 1.00 0.00 H new ATOM 167 N GLN A 11 3.197 9.758 2.620 1.00 0.00 N ATOM 168 CA GLN A 11 1.835 10.063 3.006 1.00 0.00 C ATOM 169 C GLN A 11 1.243 8.893 3.802 1.00 0.00 C ATOM 170 O GLN A 11 0.951 9.021 4.997 1.00 0.00 O ATOM 171 CB GLN A 11 1.033 10.359 1.722 1.00 0.00 C ATOM 172 CG GLN A 11 -0.429 9.950 1.736 1.00 0.00 C ATOM 173 CD GLN A 11 -1.309 10.979 2.396 1.00 0.00 C ATOM 174 OE1 GLN A 11 -2.042 11.711 1.731 1.00 0.00 O ATOM 175 NE2 GLN A 11 -1.240 11.038 3.711 1.00 0.00 N ATOM 0 H GLN A 11 3.350 9.746 1.612 1.00 0.00 H new ATOM 0 HA GLN A 11 1.796 10.938 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.087 11.429 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.522 9.855 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.768 9.789 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.532 8.999 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.617 10.409 4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.810 11.712 4.222 1.00 0.00 H new ATOM 184 N VAL A 12 1.082 7.751 3.135 1.00 0.00 N ATOM 185 CA VAL A 12 0.529 6.559 3.771 1.00 0.00 C ATOM 186 C VAL A 12 1.332 6.149 5.002 1.00 0.00 C ATOM 187 O VAL A 12 0.771 5.954 6.087 1.00 0.00 O ATOM 188 CB VAL A 12 0.438 5.376 2.775 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.786 5.086 2.124 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.113 4.132 3.462 1.00 0.00 C ATOM 0 H VAL A 12 1.328 7.627 2.153 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.479 6.816 4.095 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.253 5.664 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.683 4.250 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.125 5.968 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.515 4.832 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.168 3.314 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.544 3.849 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.110 4.342 3.850 1.00 0.00 H new ATOM 200 N SER A 13 2.640 6.018 4.827 1.00 0.00 N ATOM 201 CA SER A 13 3.520 5.620 5.912 1.00 0.00 C ATOM 202 C SER A 13 3.538 6.642 7.045 1.00 0.00 C ATOM 203 O SER A 13 3.797 6.287 8.189 1.00 0.00 O ATOM 204 CB SER A 13 4.943 5.410 5.386 1.00 0.00 C ATOM 205 OG SER A 13 5.708 6.601 5.478 1.00 0.00 O ATOM 0 H SER A 13 3.115 6.183 3.939 1.00 0.00 H new ATOM 0 HA SER A 13 3.132 4.685 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.430 4.618 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.904 5.080 4.348 1.00 0.00 H new ATOM 0 HG SER A 13 6.612 6.436 5.137 1.00 0.00 H new ATOM 211 N ARG A 14 3.276 7.910 6.738 1.00 0.00 N ATOM 212 CA ARG A 14 3.299 8.936 7.772 1.00 0.00 C ATOM 213 C ARG A 14 2.050 8.885 8.627 1.00 0.00 C ATOM 214 O ARG A 14 2.126 9.030 9.847 1.00 0.00 O ATOM 215 CB ARG A 14 3.465 10.334 7.173 1.00 0.00 C ATOM 216 CG ARG A 14 3.575 11.432 8.219 1.00 0.00 C ATOM 217 CD ARG A 14 2.207 11.897 8.693 1.00 0.00 C ATOM 218 NE ARG A 14 2.254 13.247 9.251 1.00 0.00 N ATOM 219 CZ ARG A 14 2.775 13.540 10.440 1.00 0.00 C ATOM 220 NH1 ARG A 14 3.282 12.581 11.206 1.00 0.00 N ATOM 221 NH2 ARG A 14 2.786 14.795 10.868 1.00 0.00 N ATOM 0 H ARG A 14 3.050 8.245 5.802 1.00 0.00 H new ATOM 0 HA ARG A 14 4.162 8.729 8.405 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.357 10.349 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.616 10.546 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.150 11.067 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.123 12.278 7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.506 11.873 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.829 11.206 9.446 1.00 0.00 H new ATOM 0 HE ARG A 14 1.865 14.009 8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.274 11.613 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.680 12.812 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.395 15.536 10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.185 15.020 11.779 1.00 0.00 H new ATOM 235 N LEU A 15 0.900 8.674 8.002 1.00 0.00 N ATOM 236 CA LEU A 15 -0.335 8.606 8.768 1.00 0.00 C ATOM 237 C LEU A 15 -0.348 7.355 9.622 1.00 0.00 C ATOM 238 O LEU A 15 -0.576 7.409 10.824 1.00 0.00 O ATOM 239 CB LEU A 15 -1.578 8.590 7.879 1.00 0.00 C ATOM 240 CG LEU A 15 -1.452 9.270 6.529 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.623 8.247 5.418 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.482 10.380 6.395 1.00 0.00 C ATOM 0 H LEU A 15 0.796 8.550 6.995 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.366 9.503 9.386 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.865 7.552 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.394 9.063 8.425 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.460 9.714 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.531 8.741 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.853 7.480 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.607 7.785 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.378 10.857 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.484 9.960 6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.324 11.119 7.180 1.00 0.00 H new ATOM 254 N VAL A 16 -0.125 6.220 8.980 1.00 0.00 N ATOM 255 CA VAL A 16 -0.142 4.944 9.672 1.00 0.00 C ATOM 256 C VAL A 16 0.986 4.811 10.694 1.00 0.00 C ATOM 257 O VAL A 16 0.745 4.406 11.831 1.00 0.00 O ATOM 258 CB VAL A 16 -0.083 3.786 8.670 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.263 3.763 7.980 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.373 2.463 9.356 1.00 0.00 C ATOM 0 H VAL A 16 0.070 6.157 7.981 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.082 4.901 10.222 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.852 3.939 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.294 2.936 7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.416 4.703 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.050 3.633 8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.326 1.656 8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.367 2.289 10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.369 2.493 9.799 1.00 0.00 H new ATOM 270 N GLN A 17 2.215 5.141 10.306 1.00 0.00 N ATOM 271 CA GLN A 17 3.331 5.030 11.236 1.00 0.00 C ATOM 272 C GLN A 17 3.131 5.947 12.442 1.00 0.00 C ATOM 273 O GLN A 17 3.757 5.751 13.483 1.00 0.00 O ATOM 274 CB GLN A 17 4.664 5.336 10.548 1.00 0.00 C ATOM 275 CG GLN A 17 5.060 4.300 9.501 1.00 0.00 C ATOM 276 CD GLN A 17 6.215 3.427 9.951 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.024 2.271 10.329 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.423 3.977 9.912 1.00 0.00 N ATOM 0 H GLN A 17 2.459 5.480 9.375 1.00 0.00 H new ATOM 0 HA GLN A 17 3.362 3.999 11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.603 6.315 10.073 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.448 5.396 11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.200 3.670 9.276 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.333 4.809 8.577 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.535 4.939 9.592 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.239 3.438 10.202 1.00 0.00 H new ATOM 287 N GLN A 18 2.250 6.945 12.310 1.00 0.00 N ATOM 288 CA GLN A 18 1.990 7.864 13.418 1.00 0.00 C ATOM 289 C GLN A 18 0.640 8.569 13.269 1.00 0.00 C ATOM 290 O GLN A 18 0.579 9.795 13.176 1.00 0.00 O ATOM 291 CB GLN A 18 3.116 8.900 13.545 1.00 0.00 C ATOM 292 CG GLN A 18 3.892 9.145 12.259 1.00 0.00 C ATOM 293 CD GLN A 18 5.203 9.867 12.502 1.00 0.00 C ATOM 294 OE1 GLN A 18 5.748 9.833 13.606 1.00 0.00 O ATOM 295 NE2 GLN A 18 5.717 10.526 11.470 1.00 0.00 N ATOM 0 H GLN A 18 1.715 7.133 11.462 1.00 0.00 H new ATOM 0 HA GLN A 18 1.956 7.266 14.329 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.688 9.844 13.883 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.811 8.571 14.317 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.091 8.191 11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.279 9.731 11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.232 10.527 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.597 11.031 11.574 1.00 0.00 H new ATOM 304 N GLU A 19 -0.442 7.787 13.261 1.00 0.00 N ATOM 305 CA GLU A 19 -1.796 8.337 13.139 1.00 0.00 C ATOM 306 C GLU A 19 -2.827 7.231 12.906 1.00 0.00 C ATOM 307 O GLU A 19 -3.897 7.233 13.515 1.00 0.00 O ATOM 308 CB GLU A 19 -1.877 9.363 12.000 1.00 0.00 C ATOM 309 CG GLU A 19 -2.495 10.687 12.420 1.00 0.00 C ATOM 310 CD GLU A 19 -1.591 11.872 12.138 1.00 0.00 C ATOM 311 OE1 GLU A 19 -0.791 11.796 11.182 1.00 0.00 O ATOM 312 OE2 GLU A 19 -1.684 12.877 12.874 1.00 0.00 O ATOM 0 H GLU A 19 -0.408 6.770 13.338 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.024 8.836 14.081 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.874 9.545 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.462 8.941 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.441 10.824 11.896 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.723 10.655 13.485 1.00 0.00 H new ATOM 319 N SER A 20 -2.504 6.296 12.014 1.00 0.00 N ATOM 320 CA SER A 20 -3.410 5.194 11.693 1.00 0.00 C ATOM 321 C SER A 20 -2.934 3.883 12.314 1.00 0.00 C ATOM 322 O SER A 20 -3.739 3.001 12.611 1.00 0.00 O ATOM 323 CB SER A 20 -3.531 5.038 10.173 1.00 0.00 C ATOM 324 OG SER A 20 -3.834 6.277 9.558 1.00 0.00 O ATOM 0 H SER A 20 -1.623 6.279 11.501 1.00 0.00 H new ATOM 0 HA SER A 20 -4.388 5.431 12.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.598 4.646 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.310 4.312 9.939 1.00 0.00 H new ATOM 0 HG SER A 20 -3.015 6.809 9.473 1.00 0.00 H new ATOM 330 N GLY A 21 -1.624 3.758 12.502 1.00 0.00 N ATOM 331 CA GLY A 21 -1.072 2.545 13.080 1.00 0.00 C ATOM 332 C GLY A 21 -0.962 1.424 12.065 1.00 0.00 C ATOM 333 O GLY A 21 0.130 0.922 11.799 1.00 0.00 O ATOM 0 H GLY A 21 -0.936 4.473 12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.086 2.757 13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.701 2.221 13.909 1.00 0.00 H new ATOM 337 N ASP A 22 -2.097 1.037 11.495 1.00 0.00 N ATOM 338 CA ASP A 22 -2.132 -0.028 10.496 1.00 0.00 C ATOM 339 C ASP A 22 -3.534 -0.170 9.883 1.00 0.00 C ATOM 340 O ASP A 22 -3.879 -1.221 9.345 1.00 0.00 O ATOM 341 CB ASP A 22 -1.708 -1.355 11.131 1.00 0.00 C ATOM 342 CG ASP A 22 -0.425 -1.900 10.535 1.00 0.00 C ATOM 343 OD1 ASP A 22 0.656 -1.368 10.867 1.00 0.00 O ATOM 344 OD2 ASP A 22 -0.500 -2.858 9.737 1.00 0.00 O ATOM 0 H ASP A 22 -3.008 1.445 11.707 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.436 0.234 9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.576 -1.215 12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.505 -2.087 11.001 1.00 0.00 H new ATOM 349 N CYS A 23 -4.334 0.894 9.972 1.00 0.00 N ATOM 350 CA CYS A 23 -5.695 0.895 9.432 1.00 0.00 C ATOM 351 C CYS A 23 -5.678 0.663 7.921 1.00 0.00 C ATOM 352 O CYS A 23 -4.721 0.102 7.389 1.00 0.00 O ATOM 353 CB CYS A 23 -6.377 2.225 9.776 1.00 0.00 C ATOM 354 SG CYS A 23 -7.707 2.076 10.993 1.00 0.00 S ATOM 0 H CYS A 23 -4.061 1.771 10.416 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.261 0.080 9.883 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.627 2.919 10.156 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.781 2.661 8.863 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.841 2.379 10.435 1.00 0.00 H new ATOM 360 N THR A 24 -6.731 1.095 7.228 1.00 0.00 N ATOM 361 CA THR A 24 -6.800 0.920 5.783 1.00 0.00 C ATOM 362 C THR A 24 -6.502 2.238 5.081 1.00 0.00 C ATOM 363 O THR A 24 -6.769 3.312 5.620 1.00 0.00 O ATOM 364 CB THR A 24 -8.177 0.405 5.360 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.877 -0.133 6.467 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.117 -0.665 4.291 1.00 0.00 C ATOM 0 H THR A 24 -7.538 1.563 7.640 1.00 0.00 H new ATOM 0 HA THR A 24 -6.052 0.181 5.494 1.00 0.00 H new ATOM 0 HB THR A 24 -8.693 1.274 4.952 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.478 -0.844 6.160 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.128 -0.984 4.039 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.631 -0.264 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.549 -1.518 4.662 1.00 0.00 H new ATOM 374 N GLY A 25 -5.930 2.152 3.887 1.00 0.00 N ATOM 375 CA GLY A 25 -5.588 3.349 3.150 1.00 0.00 C ATOM 376 C GLY A 25 -6.529 3.630 1.998 1.00 0.00 C ATOM 377 O GLY A 25 -6.769 2.766 1.155 1.00 0.00 O ATOM 0 H GLY A 25 -5.698 1.276 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.593 4.201 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.572 3.254 2.766 1.00 0.00 H new ATOM 381 N LYS A 26 -7.044 4.853 1.954 1.00 0.00 N ATOM 382 CA LYS A 26 -7.944 5.266 0.888 1.00 0.00 C ATOM 383 C LYS A 26 -7.193 6.168 -0.081 1.00 0.00 C ATOM 384 O LYS A 26 -6.542 7.123 0.338 1.00 0.00 O ATOM 385 CB LYS A 26 -9.173 5.989 1.467 1.00 0.00 C ATOM 386 CG LYS A 26 -8.979 7.481 1.685 1.00 0.00 C ATOM 387 CD LYS A 26 -9.240 8.285 0.417 1.00 0.00 C ATOM 388 CE LYS A 26 -8.480 9.600 0.433 1.00 0.00 C ATOM 389 NZ LYS A 26 -9.299 10.710 0.996 1.00 0.00 N ATOM 0 H LYS A 26 -6.852 5.577 2.647 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.299 4.385 0.353 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.018 5.839 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.437 5.526 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.649 7.822 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.962 7.667 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.943 7.701 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.308 8.481 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.570 9.486 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.173 9.854 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.712 11.564 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.102 10.904 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.655 10.437 1.934 1.00 0.00 H new ATOM 403 N LEU A 27 -7.273 5.855 -1.368 1.00 0.00 N ATOM 404 CA LEU A 27 -6.579 6.633 -2.385 1.00 0.00 C ATOM 405 C LEU A 27 -7.539 7.536 -3.151 1.00 0.00 C ATOM 406 O LEU A 27 -8.752 7.367 -3.069 1.00 0.00 O ATOM 407 CB LEU A 27 -5.859 5.701 -3.360 1.00 0.00 C ATOM 408 CG LEU A 27 -4.590 6.281 -3.987 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.370 5.462 -3.590 1.00 0.00 C ATOM 410 CD2 LEU A 27 -4.721 6.347 -5.502 1.00 0.00 C ATOM 0 H LEU A 27 -7.811 5.069 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.850 7.265 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.600 4.781 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.550 5.430 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.458 7.295 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.479 5.892 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.262 5.472 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.494 4.435 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.808 6.762 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.883 5.344 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.567 6.982 -5.767 1.00 0.00 H new ATOM 422 N ARG A 28 -6.957 8.492 -3.885 1.00 0.00 N ATOM 423 CA ARG A 28 -7.686 9.473 -4.705 1.00 0.00 C ATOM 424 C ARG A 28 -6.955 10.817 -4.684 1.00 0.00 C ATOM 425 O ARG A 28 -7.552 11.860 -4.414 1.00 0.00 O ATOM 426 CB ARG A 28 -9.142 9.660 -4.246 1.00 0.00 C ATOM 427 CG ARG A 28 -10.159 8.935 -5.122 1.00 0.00 C ATOM 428 CD ARG A 28 -9.727 7.508 -5.431 1.00 0.00 C ATOM 429 NE ARG A 28 -10.299 7.013 -6.678 1.00 0.00 N ATOM 430 CZ ARG A 28 -10.068 7.555 -7.873 1.00 0.00 C ATOM 431 NH1 ARG A 28 -9.263 8.603 -7.992 1.00 0.00 N ATOM 432 NH2 ARG A 28 -10.637 7.041 -8.954 1.00 0.00 N ATOM 0 H ARG A 28 -5.945 8.609 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.717 9.083 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.239 9.303 -3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.377 10.724 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.126 8.921 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.292 9.484 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.639 7.465 -5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.027 6.855 -4.612 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.915 6.201 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.816 8.999 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.091 9.012 -8.910 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.251 6.231 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.461 7.455 -9.869 1.00 0.00 H new ATOM 446 N GLY A 29 -5.651 10.781 -4.954 1.00 0.00 N ATOM 447 CA GLY A 29 -4.852 11.996 -4.943 1.00 0.00 C ATOM 448 C GLY A 29 -4.193 12.221 -3.595 1.00 0.00 C ATOM 449 O GLY A 29 -3.339 13.094 -3.441 1.00 0.00 O ATOM 0 H GLY A 29 -5.134 9.932 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.087 11.935 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.484 12.850 -5.186 1.00 0.00 H new ATOM 453 N ASN A 30 -4.602 11.416 -2.624 1.00 0.00 N ATOM 454 CA ASN A 30 -4.082 11.477 -1.269 1.00 0.00 C ATOM 455 C ASN A 30 -4.500 10.208 -0.548 1.00 0.00 C ATOM 456 O ASN A 30 -5.490 9.582 -0.929 1.00 0.00 O ATOM 457 CB ASN A 30 -4.614 12.730 -0.549 1.00 0.00 C ATOM 458 CG ASN A 30 -5.453 12.419 0.681 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.508 11.628 0.503 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -5.154 12.884 1.781 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.311 10.696 -2.758 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.994 11.548 -1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.771 13.354 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.213 13.313 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.337 13.487 1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.724 12.666 2.599 1.00 0.00 H new ATOM 467 N VAL A 31 -3.773 9.822 0.484 1.00 0.00 N ATOM 468 CA VAL A 31 -4.134 8.620 1.210 1.00 0.00 C ATOM 469 C VAL A 31 -4.678 8.954 2.597 1.00 0.00 C ATOM 470 O VAL A 31 -4.104 9.751 3.339 1.00 0.00 O ATOM 471 CB VAL A 31 -2.979 7.591 1.297 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.944 7.798 0.193 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.315 7.607 2.657 1.00 0.00 C ATOM 0 H VAL A 31 -2.948 10.310 0.832 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.927 8.143 0.634 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.429 6.609 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.153 7.055 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.423 7.690 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.516 8.797 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.511 6.872 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.906 8.598 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.050 7.362 3.424 1.00 0.00 H new ATOM 483 N ALA A 32 -5.803 8.336 2.917 1.00 0.00 N ATOM 484 CA ALA A 32 -6.479 8.538 4.193 1.00 0.00 C ATOM 485 C ALA A 32 -6.533 7.240 4.990 1.00 0.00 C ATOM 486 O ALA A 32 -6.259 6.166 4.458 1.00 0.00 O ATOM 487 CB ALA A 32 -7.882 9.086 3.973 1.00 0.00 C ATOM 0 H ALA A 32 -6.277 7.677 2.299 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.908 9.267 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.371 9.230 4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.822 10.040 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.459 8.380 3.375 1.00 0.00 H new ATOM 493 N ALA A 33 -6.878 7.343 6.268 1.00 0.00 N ATOM 494 CA ALA A 33 -6.950 6.170 7.130 1.00 0.00 C ATOM 495 C ALA A 33 -8.394 5.742 7.363 1.00 0.00 C ATOM 496 O ALA A 33 -9.205 6.500 7.894 1.00 0.00 O ATOM 497 CB ALA A 33 -6.269 6.454 8.459 1.00 0.00 C ATOM 0 H ALA A 33 -7.111 8.223 6.729 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.432 5.352 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.329 5.571 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.223 6.706 8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.766 7.290 8.951 1.00 0.00 H new ATOM 503 N ASN A 34 -8.699 4.515 6.950 1.00 0.00 N ATOM 504 CA ASN A 34 -10.038 3.957 7.094 1.00 0.00 C ATOM 505 C ASN A 34 -10.109 3.029 8.302 1.00 0.00 C ATOM 506 O ASN A 34 -9.203 2.223 8.531 1.00 0.00 O ATOM 507 CB ASN A 34 -10.418 3.193 5.822 1.00 0.00 C ATOM 508 CG ASN A 34 -11.622 2.286 6.005 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.669 2.717 6.486 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.475 1.021 5.619 1.00 0.00 N ATOM 0 H ASN A 34 -8.029 3.884 6.509 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.742 4.775 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.627 3.907 5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.567 2.595 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.250 0.365 5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.588 0.708 5.225 1.00 0.00 H new ATOM 517 N LYS A 35 -11.192 3.147 9.067 1.00 0.00 N ATOM 518 CA LYS A 35 -11.389 2.320 10.252 1.00 0.00 C ATOM 519 C LYS A 35 -12.686 1.516 10.165 1.00 0.00 C ATOM 520 O LYS A 35 -13.106 0.900 11.145 1.00 0.00 O ATOM 521 CB LYS A 35 -11.405 3.192 11.508 1.00 0.00 C ATOM 522 CG LYS A 35 -11.197 2.410 12.795 1.00 0.00 C ATOM 523 CD LYS A 35 -11.211 3.322 14.013 1.00 0.00 C ATOM 524 CE LYS A 35 -9.845 3.389 14.676 1.00 0.00 C ATOM 525 NZ LYS A 35 -8.850 4.102 13.827 1.00 0.00 N ATOM 0 H LYS A 35 -11.947 3.809 8.886 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.557 1.618 10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.626 3.950 11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.358 3.718 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.979 1.657 12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.247 1.878 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.521 4.324 13.715 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.947 2.961 14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.932 3.896 15.637 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.490 2.379 14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.019 4.351 14.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.557 3.485 13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.278 4.969 13.444 1.00 0.00 H new ATOM 539 N GLU A 36 -13.320 1.515 8.993 1.00 0.00 N ATOM 540 CA GLU A 36 -14.564 0.773 8.803 1.00 0.00 C ATOM 541 C GLU A 36 -14.376 -0.689 9.191 1.00 0.00 C ATOM 542 O GLU A 36 -15.028 -1.190 10.107 1.00 0.00 O ATOM 543 CB GLU A 36 -15.031 0.874 7.349 1.00 0.00 C ATOM 544 CG GLU A 36 -16.127 1.904 7.133 1.00 0.00 C ATOM 545 CD GLU A 36 -17.508 1.358 7.438 1.00 0.00 C ATOM 546 OE1 GLU A 36 -17.785 1.073 8.622 1.00 0.00 O ATOM 547 OE2 GLU A 36 -18.313 1.216 6.493 1.00 0.00 O ATOM 0 H GLU A 36 -12.995 2.016 8.166 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.326 1.212 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.178 1.126 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.391 -0.102 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.935 2.771 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.097 2.250 6.100 1.00 0.00 H new ATOM 554 N THR A 37 -13.469 -1.363 8.494 1.00 0.00 N ATOM 555 CA THR A 37 -13.176 -2.764 8.767 1.00 0.00 C ATOM 556 C THR A 37 -11.670 -3.005 8.734 1.00 0.00 C ATOM 557 O THR A 37 -11.028 -3.083 9.781 1.00 0.00 O ATOM 558 CB THR A 37 -13.892 -3.678 7.764 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.155 -4.870 7.548 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.124 -3.034 6.415 1.00 0.00 C ATOM 0 H THR A 37 -12.922 -0.960 7.733 1.00 0.00 H new ATOM 0 HA THR A 37 -13.545 -3.004 9.764 1.00 0.00 H new ATOM 0 HB THR A 37 -14.860 -3.888 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.054 -5.350 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.634 -3.739 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.739 -2.142 6.538 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.166 -2.756 5.975 1.00 0.00 H new ATOM 568 N THR A 38 -11.105 -3.115 7.531 1.00 0.00 N ATOM 569 CA THR A 38 -9.667 -3.341 7.383 1.00 0.00 C ATOM 570 C THR A 38 -9.283 -3.527 5.923 1.00 0.00 C ATOM 571 O THR A 38 -8.260 -3.021 5.467 1.00 0.00 O ATOM 572 CB THR A 38 -9.236 -4.575 8.176 1.00 0.00 C ATOM 573 OG1 THR A 38 -7.843 -4.797 8.042 1.00 0.00 O ATOM 574 CG2 THR A 38 -9.944 -5.841 7.743 1.00 0.00 C ATOM 0 H THR A 38 -11.617 -3.052 6.651 1.00 0.00 H new ATOM 0 HA THR A 38 -9.157 -2.459 7.770 1.00 0.00 H new ATOM 0 HB THR A 38 -9.505 -4.361 9.211 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.587 -5.590 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.592 -6.679 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.019 -5.722 7.880 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.731 -6.035 6.692 1.00 0.00 H new ATOM 582 N PHE A 39 -10.104 -4.278 5.208 1.00 0.00 N ATOM 583 CA PHE A 39 -9.864 -4.570 3.800 1.00 0.00 C ATOM 584 C PHE A 39 -8.535 -5.284 3.597 1.00 0.00 C ATOM 585 O PHE A 39 -7.511 -4.919 4.167 1.00 0.00 O ATOM 586 CB PHE A 39 -9.919 -3.316 2.934 1.00 0.00 C ATOM 587 CG PHE A 39 -11.137 -2.464 3.164 1.00 0.00 C ATOM 588 CD1 PHE A 39 -12.357 -3.045 3.473 1.00 0.00 C ATOM 589 CD2 PHE A 39 -11.066 -1.084 3.058 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.481 -2.266 3.672 1.00 0.00 C ATOM 591 CE2 PHE A 39 -12.187 -0.301 3.258 1.00 0.00 C ATOM 592 CZ PHE A 39 -13.396 -0.893 3.565 1.00 0.00 C ATOM 0 H PHE A 39 -10.953 -4.702 5.583 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.669 -5.233 3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.028 -2.717 3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.887 -3.610 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.430 -4.119 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.124 -0.615 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.426 -2.732 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.117 0.773 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.273 -0.283 3.721 1.00 0.00 H new ATOM 602 N GLN A 40 -8.583 -6.306 2.767 1.00 0.00 N ATOM 603 CA GLN A 40 -7.421 -7.115 2.432 1.00 0.00 C ATOM 604 C GLN A 40 -7.775 -8.023 1.265 1.00 0.00 C ATOM 605 O GLN A 40 -8.030 -9.215 1.438 1.00 0.00 O ATOM 606 CB GLN A 40 -6.960 -7.946 3.633 1.00 0.00 C ATOM 607 CG GLN A 40 -8.074 -8.298 4.603 1.00 0.00 C ATOM 608 CD GLN A 40 -9.128 -9.192 3.981 1.00 0.00 C ATOM 609 OE1 GLN A 40 -8.913 -10.390 3.796 1.00 0.00 O ATOM 610 NE2 GLN A 40 -10.276 -8.611 3.652 1.00 0.00 N ATOM 0 H GLN A 40 -9.439 -6.605 2.299 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.598 -6.457 2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.503 -8.867 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.187 -7.395 4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.648 -8.796 5.474 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.544 -7.381 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.411 -7.615 3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.023 -9.161 3.228 1.00 0.00 H new ATOM 619 N GLY A 41 -7.807 -7.435 0.078 1.00 0.00 N ATOM 620 CA GLY A 41 -8.152 -8.174 -1.117 1.00 0.00 C ATOM 621 C GLY A 41 -9.615 -8.586 -1.150 1.00 0.00 C ATOM 622 O GLY A 41 -10.025 -9.512 -0.451 1.00 0.00 O ATOM 0 H GLY A 41 -7.598 -6.449 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.931 -7.564 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.526 -9.064 -1.182 1.00 0.00 H new ATOM 626 N LEU A 42 -10.393 -7.905 -1.988 1.00 0.00 N ATOM 627 CA LEU A 42 -11.814 -8.203 -2.149 1.00 0.00 C ATOM 628 C LEU A 42 -12.310 -7.655 -3.493 1.00 0.00 C ATOM 629 O LEU A 42 -11.591 -7.718 -4.488 1.00 0.00 O ATOM 630 CB LEU A 42 -12.620 -7.626 -0.982 1.00 0.00 C ATOM 631 CG LEU A 42 -13.909 -8.380 -0.647 1.00 0.00 C ATOM 632 CD1 LEU A 42 -13.601 -9.625 0.170 1.00 0.00 C ATOM 633 CD2 LEU A 42 -14.875 -7.474 0.102 1.00 0.00 C ATOM 0 H LEU A 42 -10.060 -7.137 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.956 -9.284 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.986 -7.610 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.872 -6.591 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.381 -8.690 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.529 -10.149 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.945 -10.282 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.108 -9.338 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.786 -8.025 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.412 -7.135 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.120 -6.612 -0.518 1.00 0.00 H new ATOM 645 N THR A 43 -13.528 -7.121 -3.531 1.00 0.00 N ATOM 646 CA THR A 43 -14.072 -6.576 -4.773 1.00 0.00 C ATOM 647 C THR A 43 -15.264 -5.657 -4.512 1.00 0.00 C ATOM 648 O THR A 43 -16.120 -5.479 -5.378 1.00 0.00 O ATOM 649 CB THR A 43 -14.481 -7.710 -5.717 1.00 0.00 C ATOM 650 OG1 THR A 43 -14.542 -8.946 -5.026 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.533 -7.885 -6.884 1.00 0.00 C ATOM 0 H THR A 43 -14.151 -7.054 -2.726 1.00 0.00 H new ATOM 0 HA THR A 43 -13.288 -5.982 -5.242 1.00 0.00 H new ATOM 0 HB THR A 43 -15.461 -7.425 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.807 -9.656 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.879 -8.704 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.502 -6.965 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.534 -8.112 -6.511 1.00 0.00 H new ATOM 659 N ILE A 44 -15.314 -5.070 -3.319 1.00 0.00 N ATOM 660 CA ILE A 44 -16.401 -4.163 -2.958 1.00 0.00 C ATOM 661 C ILE A 44 -17.759 -4.868 -2.934 1.00 0.00 C ATOM 662 O ILE A 44 -18.793 -4.225 -2.749 1.00 0.00 O ATOM 663 CB ILE A 44 -16.487 -2.988 -3.947 1.00 0.00 C ATOM 664 CG1 ILE A 44 -15.107 -2.369 -4.166 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.473 -1.937 -3.452 1.00 0.00 C ATOM 666 CD1 ILE A 44 -15.079 -1.350 -5.283 1.00 0.00 C ATOM 0 H ILE A 44 -14.617 -5.205 -2.587 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.173 -3.799 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.848 -3.371 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.779 -1.894 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.392 -3.161 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.518 -1.115 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.462 -2.385 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.146 -1.558 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.070 -0.950 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.377 -1.826 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.770 -0.539 -5.053 1.00 0.00 H new ATOM 678 N ALA A 45 -17.762 -6.181 -3.131 1.00 0.00 N ATOM 679 CA ALA A 45 -19.004 -6.943 -3.139 1.00 0.00 C ATOM 680 C ALA A 45 -19.396 -7.386 -1.734 1.00 0.00 C ATOM 681 O ALA A 45 -20.502 -7.106 -1.270 1.00 0.00 O ATOM 682 CB ALA A 45 -18.876 -8.149 -4.056 1.00 0.00 C ATOM 0 H ALA A 45 -16.922 -6.738 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.793 -6.292 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.811 -8.709 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.658 -7.814 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.068 -8.790 -3.704 1.00 0.00 H new ATOM 688 N SER A 46 -18.488 -8.086 -1.063 1.00 0.00 N ATOM 689 CA SER A 46 -18.745 -8.575 0.288 1.00 0.00 C ATOM 690 C SER A 46 -18.694 -7.438 1.304 1.00 0.00 C ATOM 691 O SER A 46 -19.351 -7.491 2.344 1.00 0.00 O ATOM 692 CB SER A 46 -17.729 -9.657 0.664 1.00 0.00 C ATOM 693 OG SER A 46 -17.083 -10.173 -0.487 1.00 0.00 O ATOM 0 H SER A 46 -17.568 -8.328 -1.431 1.00 0.00 H new ATOM 0 HA SER A 46 -19.747 -9.004 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.987 -9.242 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.233 -10.465 1.195 1.00 0.00 H new ATOM 0 HG SER A 46 -16.560 -10.964 -0.241 1.00 0.00 H new ATOM 699 N GLY A 47 -17.909 -6.412 0.996 1.00 0.00 N ATOM 700 CA GLY A 47 -17.784 -5.277 1.891 1.00 0.00 C ATOM 701 C GLY A 47 -16.443 -4.586 1.755 1.00 0.00 C ATOM 702 O GLY A 47 -15.537 -4.809 2.558 1.00 0.00 O ATOM 0 H GLY A 47 -17.356 -6.346 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.581 -4.563 1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.916 -5.612 2.920 1.00 0.00 H new ATOM 706 N ALA A 48 -16.314 -3.750 0.732 1.00 0.00 N ATOM 707 CA ALA A 48 -15.070 -3.029 0.487 1.00 0.00 C ATOM 708 C ALA A 48 -15.331 -1.702 -0.218 1.00 0.00 C ATOM 709 O ALA A 48 -16.059 -1.649 -1.206 1.00 0.00 O ATOM 710 CB ALA A 48 -14.129 -3.883 -0.351 1.00 0.00 C ATOM 0 H ALA A 48 -17.055 -3.554 0.059 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.607 -2.818 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.203 -3.336 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.908 -4.809 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.602 -4.116 -1.305 1.00 0.00 H new ATOM 716 N ARG A 49 -14.722 -0.633 0.284 1.00 0.00 N ATOM 717 CA ARG A 49 -14.883 0.686 -0.316 1.00 0.00 C ATOM 718 C ARG A 49 -14.217 0.731 -1.688 1.00 0.00 C ATOM 719 O ARG A 49 -13.689 -0.273 -2.164 1.00 0.00 O ATOM 720 CB ARG A 49 -14.281 1.761 0.589 1.00 0.00 C ATOM 721 CG ARG A 49 -14.882 1.791 1.984 1.00 0.00 C ATOM 722 CD ARG A 49 -15.269 3.202 2.396 1.00 0.00 C ATOM 723 NE ARG A 49 -16.148 3.209 3.562 1.00 0.00 N ATOM 724 CZ ARG A 49 -17.462 3.001 3.502 1.00 0.00 C ATOM 725 NH1 ARG A 49 -18.053 2.771 2.336 1.00 0.00 N ATOM 726 NH2 ARG A 49 -18.187 3.023 4.612 1.00 0.00 N ATOM 0 H ARG A 49 -14.114 -0.654 1.103 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.949 0.881 -0.434 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.207 1.596 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.420 2.736 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.761 1.148 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.165 1.386 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.369 3.775 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.767 3.699 1.564 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.731 3.383 4.476 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.500 2.753 1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.060 2.612 2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.738 3.199 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -19.193 2.864 4.567 1.00 0.00 H new ATOM 740 N GLU A 50 -14.242 1.900 -2.319 1.00 0.00 N ATOM 741 CA GLU A 50 -13.635 2.069 -3.635 1.00 0.00 C ATOM 742 C GLU A 50 -12.159 2.438 -3.507 1.00 0.00 C ATOM 743 O GLU A 50 -11.330 2.018 -4.310 1.00 0.00 O ATOM 744 CB GLU A 50 -14.380 3.147 -4.429 1.00 0.00 C ATOM 745 CG GLU A 50 -15.009 2.630 -5.713 1.00 0.00 C ATOM 746 CD GLU A 50 -15.212 3.723 -6.744 1.00 0.00 C ATOM 747 OE1 GLU A 50 -14.203 4.235 -7.274 1.00 0.00 O ATOM 748 OE2 GLU A 50 -16.380 4.068 -7.023 1.00 0.00 O ATOM 0 H GLU A 50 -14.675 2.743 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.709 1.122 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.159 3.577 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.687 3.952 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.375 1.850 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.970 2.170 -5.483 1.00 0.00 H new ATOM 755 N SER A 51 -11.841 3.225 -2.489 1.00 0.00 N ATOM 756 CA SER A 51 -10.466 3.654 -2.248 1.00 0.00 C ATOM 757 C SER A 51 -9.527 2.452 -2.115 1.00 0.00 C ATOM 758 O SER A 51 -8.608 2.282 -2.916 1.00 0.00 O ATOM 759 CB SER A 51 -10.413 4.510 -0.986 1.00 0.00 C ATOM 760 OG SER A 51 -10.391 3.707 0.182 1.00 0.00 O ATOM 0 H SER A 51 -12.517 3.582 -1.814 1.00 0.00 H new ATOM 0 HA SER A 51 -10.132 4.244 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.526 5.143 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.278 5.173 -0.957 1.00 0.00 H new ATOM 0 HG SER A 51 -11.170 3.917 0.738 1.00 0.00 H new ATOM 766 N GLU A 52 -9.767 1.628 -1.091 1.00 0.00 N ATOM 767 CA GLU A 52 -8.949 0.429 -0.826 1.00 0.00 C ATOM 768 C GLU A 52 -8.462 -0.225 -2.118 1.00 0.00 C ATOM 769 O GLU A 52 -7.266 -0.237 -2.413 1.00 0.00 O ATOM 770 CB GLU A 52 -9.758 -0.609 -0.033 1.00 0.00 C ATOM 771 CG GLU A 52 -11.247 -0.311 0.037 1.00 0.00 C ATOM 772 CD GLU A 52 -12.085 -1.561 -0.031 1.00 0.00 C ATOM 773 OE1 GLU A 52 -12.176 -2.152 -1.127 1.00 0.00 O ATOM 774 OE2 GLU A 52 -12.651 -1.948 1.010 1.00 0.00 O ATOM 0 H GLU A 52 -10.526 1.767 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.085 0.759 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.615 -1.590 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.361 -0.666 0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.466 0.220 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.521 0.352 -0.783 1.00 0.00 H new ATOM 781 N LYS A 53 -9.403 -0.768 -2.879 1.00 0.00 N ATOM 782 CA LYS A 53 -9.078 -1.429 -4.142 1.00 0.00 C ATOM 783 C LYS A 53 -8.332 -0.488 -5.089 1.00 0.00 C ATOM 784 O LYS A 53 -7.312 -0.866 -5.671 1.00 0.00 O ATOM 785 CB LYS A 53 -10.342 -1.970 -4.821 1.00 0.00 C ATOM 786 CG LYS A 53 -11.474 -0.963 -4.917 1.00 0.00 C ATOM 787 CD LYS A 53 -12.031 -0.873 -6.331 1.00 0.00 C ATOM 788 CE LYS A 53 -12.443 -2.239 -6.860 1.00 0.00 C ATOM 789 NZ LYS A 53 -13.256 -2.133 -8.103 1.00 0.00 N ATOM 0 H LYS A 53 -10.396 -0.765 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.422 -2.268 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.085 -2.309 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.692 -2.843 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.271 -1.245 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.116 0.018 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.891 -0.204 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.281 -0.438 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.552 -2.835 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.015 -2.766 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.573 -3.080 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.085 -1.530 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.679 -1.714 -8.860 1.00 0.00 H new ATOM 803 N VAL A 54 -8.829 0.743 -5.240 1.00 0.00 N ATOM 804 CA VAL A 54 -8.176 1.712 -6.114 1.00 0.00 C ATOM 805 C VAL A 54 -6.715 1.871 -5.717 1.00 0.00 C ATOM 806 O VAL A 54 -5.828 1.935 -6.570 1.00 0.00 O ATOM 807 CB VAL A 54 -8.871 3.092 -6.074 1.00 0.00 C ATOM 808 CG1 VAL A 54 -8.118 4.100 -6.930 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.315 2.975 -6.537 1.00 0.00 C ATOM 0 H VAL A 54 -9.669 1.086 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.248 1.329 -7.132 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.865 3.447 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.625 5.064 -6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.100 4.208 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.089 3.751 -7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.789 3.956 -6.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.340 2.596 -7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.853 2.289 -5.882 1.00 0.00 H new ATOM 819 N PHE A 55 -6.471 1.912 -4.411 1.00 0.00 N ATOM 820 CA PHE A 55 -5.118 2.039 -3.898 1.00 0.00 C ATOM 821 C PHE A 55 -4.287 0.844 -4.332 1.00 0.00 C ATOM 822 O PHE A 55 -3.187 0.998 -4.859 1.00 0.00 O ATOM 823 CB PHE A 55 -5.123 2.142 -2.371 1.00 0.00 C ATOM 824 CG PHE A 55 -3.846 2.696 -1.801 1.00 0.00 C ATOM 825 CD1 PHE A 55 -2.632 2.067 -2.037 1.00 0.00 C ATOM 826 CD2 PHE A 55 -3.860 3.847 -1.031 1.00 0.00 C ATOM 827 CE1 PHE A 55 -1.459 2.577 -1.513 1.00 0.00 C ATOM 828 CE2 PHE A 55 -2.689 4.360 -0.506 1.00 0.00 C ATOM 829 CZ PHE A 55 -1.488 3.725 -0.748 1.00 0.00 C ATOM 0 H PHE A 55 -7.193 1.859 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.680 2.951 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.954 2.775 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.300 1.153 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.603 1.169 -2.637 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.796 4.349 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.520 2.077 -1.702 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.714 5.258 0.094 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.572 4.126 -0.339 1.00 0.00 H new ATOM 839 N ALA A 56 -4.828 -0.352 -4.110 1.00 0.00 N ATOM 840 CA ALA A 56 -4.143 -1.584 -4.480 1.00 0.00 C ATOM 841 C ALA A 56 -3.665 -1.533 -5.925 1.00 0.00 C ATOM 842 O ALA A 56 -2.511 -1.846 -6.218 1.00 0.00 O ATOM 843 CB ALA A 56 -5.049 -2.787 -4.256 1.00 0.00 C ATOM 0 H ALA A 56 -5.740 -0.492 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.266 -1.688 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.521 -3.698 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.329 -2.841 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.947 -2.685 -4.866 1.00 0.00 H new ATOM 849 N GLN A 57 -4.554 -1.130 -6.824 1.00 0.00 N ATOM 850 CA GLN A 57 -4.204 -1.034 -8.235 1.00 0.00 C ATOM 851 C GLN A 57 -3.090 -0.010 -8.445 1.00 0.00 C ATOM 852 O GLN A 57 -2.111 -0.273 -9.148 1.00 0.00 O ATOM 853 CB GLN A 57 -5.431 -0.648 -9.064 1.00 0.00 C ATOM 854 CG GLN A 57 -6.628 -1.560 -8.843 1.00 0.00 C ATOM 855 CD GLN A 57 -6.970 -2.383 -10.070 1.00 0.00 C ATOM 856 OE1 GLN A 57 -7.189 -1.842 -11.154 1.00 0.00 O ATOM 857 NE2 GLN A 57 -7.019 -3.700 -9.904 1.00 0.00 N ATOM 0 H GLN A 57 -5.514 -0.866 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.848 -2.010 -8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.715 0.376 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.164 -0.663 -10.121 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.421 -2.229 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.492 -0.958 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.830 -4.106 -8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.245 -4.305 -10.693 1.00 0.00 H new ATOM 866 N THR A 58 -3.248 1.160 -7.829 1.00 0.00 N ATOM 867 CA THR A 58 -2.263 2.229 -7.950 1.00 0.00 C ATOM 868 C THR A 58 -0.922 1.819 -7.353 1.00 0.00 C ATOM 869 O THR A 58 0.118 1.970 -7.994 1.00 0.00 O ATOM 870 CB THR A 58 -2.776 3.505 -7.279 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.243 3.231 -5.971 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.908 4.157 -8.046 1.00 0.00 C ATOM 0 H THR A 58 -4.049 1.390 -7.241 1.00 0.00 H new ATOM 0 HA THR A 58 -2.111 2.424 -9.012 1.00 0.00 H new ATOM 0 HB THR A 58 -1.927 4.188 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.170 2.270 -5.792 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.231 5.057 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.565 4.422 -9.046 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.744 3.462 -8.122 1.00 0.00 H new ATOM 880 N VAL A 59 -0.940 1.296 -6.129 1.00 0.00 N ATOM 881 CA VAL A 59 0.296 0.873 -5.487 1.00 0.00 C ATOM 882 C VAL A 59 0.916 -0.301 -6.230 1.00 0.00 C ATOM 883 O VAL A 59 2.103 -0.283 -6.547 1.00 0.00 O ATOM 884 CB VAL A 59 0.104 0.499 -3.999 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.824 -0.691 -3.822 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.444 0.201 -3.362 1.00 0.00 C ATOM 0 H VAL A 59 -1.783 1.158 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 59 0.967 1.731 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.358 1.355 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.928 -0.916 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.802 -0.455 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.408 -1.557 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.298 -0.061 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.917 -0.632 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.083 1.081 -3.430 1.00 0.00 H new ATOM 896 N LEU A 60 0.109 -1.317 -6.521 1.00 0.00 N ATOM 897 CA LEU A 60 0.600 -2.486 -7.238 1.00 0.00 C ATOM 898 C LEU A 60 1.357 -2.071 -8.495 1.00 0.00 C ATOM 899 O LEU A 60 2.478 -2.522 -8.732 1.00 0.00 O ATOM 900 CB LEU A 60 -0.554 -3.413 -7.609 1.00 0.00 C ATOM 901 CG LEU A 60 -0.128 -4.711 -8.292 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.323 -5.731 -7.260 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.263 -5.266 -9.140 1.00 0.00 C ATOM 0 H LEU A 60 -0.880 -1.354 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 60 1.284 -3.021 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.111 -3.659 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.237 -2.877 -8.269 1.00 0.00 H new ATOM 0 HG LEU A 60 0.714 -4.496 -8.950 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.623 -6.650 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.168 -5.332 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.498 -5.944 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.941 -6.191 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.126 -5.467 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.536 -4.538 -9.904 1.00 0.00 H new ATOM 915 N SER A 61 0.742 -1.205 -9.295 1.00 0.00 N ATOM 916 CA SER A 61 1.372 -0.730 -10.521 1.00 0.00 C ATOM 917 C SER A 61 2.636 0.065 -10.206 1.00 0.00 C ATOM 918 O SER A 61 3.657 -0.083 -10.878 1.00 0.00 O ATOM 919 CB SER A 61 0.401 0.134 -11.323 1.00 0.00 C ATOM 920 OG SER A 61 -0.903 -0.422 -11.318 1.00 0.00 O ATOM 0 H SER A 61 -0.186 -0.820 -9.118 1.00 0.00 H new ATOM 0 HA SER A 61 1.646 -1.600 -11.118 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.372 1.139 -10.903 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.756 0.227 -12.349 1.00 0.00 H new ATOM 0 HG SER A 61 -1.447 0.026 -10.637 1.00 0.00 H new ATOM 926 N HIS A 62 2.562 0.905 -9.178 1.00 0.00 N ATOM 927 CA HIS A 62 3.702 1.718 -8.772 1.00 0.00 C ATOM 928 C HIS A 62 4.816 0.847 -8.193 1.00 0.00 C ATOM 929 O HIS A 62 5.976 1.257 -8.146 1.00 0.00 O ATOM 930 CB HIS A 62 3.264 2.767 -7.748 1.00 0.00 C ATOM 931 CG HIS A 62 3.300 4.167 -8.278 1.00 0.00 C ATOM 932 ND1 HIS A 62 3.355 5.279 -7.464 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.291 4.634 -9.549 1.00 0.00 C ATOM 934 CE1 HIS A 62 3.379 6.368 -8.212 1.00 0.00 C ATOM 935 NE2 HIS A 62 3.341 6.005 -9.480 1.00 0.00 N ATOM 0 H HIS A 62 1.725 1.040 -8.612 1.00 0.00 H new ATOM 0 HA HIS A 62 4.091 2.225 -9.655 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.252 2.538 -7.415 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.910 2.701 -6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.252 4.039 -10.450 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.422 7.384 -7.847 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.348 6.639 -10.279 1.00 0.00 H new ATOM 944 N VAL A 63 4.455 -0.355 -7.753 1.00 0.00 N ATOM 945 CA VAL A 63 5.419 -1.285 -7.177 1.00 0.00 C ATOM 946 C VAL A 63 5.749 -2.407 -8.152 1.00 0.00 C ATOM 947 O VAL A 63 5.923 -3.560 -7.758 1.00 0.00 O ATOM 948 CB VAL A 63 4.895 -1.904 -5.878 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.012 -2.569 -5.097 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.198 -0.866 -5.023 1.00 0.00 C ATOM 0 H VAL A 63 3.499 -0.708 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 63 6.319 -0.709 -6.963 1.00 0.00 H new ATOM 0 HB VAL A 63 4.168 -2.669 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.609 -2.999 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.459 -3.358 -5.702 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.772 -1.829 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.836 -1.333 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.900 -0.071 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.356 -0.447 -5.574 1.00 0.00 H new ATOM 960 N ALA A 64 5.835 -2.065 -9.428 1.00 0.00 N ATOM 961 CA ALA A 64 6.145 -3.047 -10.451 1.00 0.00 C ATOM 962 C ALA A 64 7.559 -3.587 -10.268 1.00 0.00 C ATOM 963 O ALA A 64 8.516 -3.028 -10.802 1.00 0.00 O ATOM 964 CB ALA A 64 5.984 -2.438 -11.835 1.00 0.00 C ATOM 0 H ALA A 64 5.695 -1.117 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 64 5.446 -3.878 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.220 -3.186 -12.592 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.956 -2.100 -11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.661 -1.590 -11.940 1.00 0.00 H new ATOM 970 N ASN A 65 7.667 -4.680 -9.510 1.00 0.00 N ATOM 971 CA ASN A 65 8.948 -5.346 -9.232 1.00 0.00 C ATOM 972 C ASN A 65 9.587 -4.852 -7.932 1.00 0.00 C ATOM 973 O ASN A 65 9.802 -5.637 -7.008 1.00 0.00 O ATOM 974 CB ASN A 65 9.943 -5.178 -10.389 1.00 0.00 C ATOM 975 CG ASN A 65 9.374 -5.633 -11.721 1.00 0.00 C ATOM 976 OD1 ASN A 65 8.660 -4.889 -12.393 1.00 0.00 O ATOM 977 ND2 ASN A 65 9.691 -6.863 -12.110 1.00 0.00 N ATOM 0 H ASN A 65 6.867 -5.133 -9.068 1.00 0.00 H new ATOM 0 HA ASN A 65 8.715 -6.405 -9.120 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.236 -4.131 -10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.847 -5.747 -10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.339 -7.224 -12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.286 -7.446 -11.522 1.00 0.00 H new ATOM 984 N VAL A 66 9.898 -3.556 -7.866 1.00 0.00 N ATOM 985 CA VAL A 66 10.527 -2.966 -6.678 1.00 0.00 C ATOM 986 C VAL A 66 11.574 -3.904 -6.063 1.00 0.00 C ATOM 987 O VAL A 66 12.320 -4.560 -6.791 1.00 0.00 O ATOM 988 CB VAL A 66 9.474 -2.596 -5.626 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.508 -1.580 -6.200 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.748 -3.841 -5.135 1.00 0.00 C ATOM 0 H VAL A 66 9.725 -2.893 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 66 11.035 -2.059 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 66 9.970 -2.146 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.763 -1.321 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.054 -0.683 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.011 -2.003 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.005 -3.559 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.252 -4.328 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.466 -4.529 -4.689 1.00 0.00 H new ATOM 1000 N VAL A 67 11.629 -3.977 -4.729 1.00 0.00 N ATOM 1001 CA VAL A 67 12.586 -4.847 -4.063 1.00 0.00 C ATOM 1002 C VAL A 67 12.382 -4.837 -2.550 1.00 0.00 C ATOM 1003 O VAL A 67 13.217 -4.351 -1.788 1.00 0.00 O ATOM 1004 CB VAL A 67 14.040 -4.468 -4.412 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.504 -3.233 -3.652 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.954 -5.646 -4.140 1.00 0.00 C ATOM 0 H VAL A 67 11.026 -3.447 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 67 12.406 -5.858 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 67 14.081 -4.220 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.533 -3.001 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.862 -2.389 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.450 -3.424 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.980 -5.375 -4.388 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.894 -5.917 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.645 -6.495 -4.751 1.00 0.00 H new ATOM 1016 N LEU A 68 11.254 -5.382 -2.132 1.00 0.00 N ATOM 1017 CA LEU A 68 10.903 -5.451 -0.724 1.00 0.00 C ATOM 1018 C LEU A 68 11.894 -6.296 0.067 1.00 0.00 C ATOM 1019 O LEU A 68 11.850 -7.524 0.011 1.00 0.00 O ATOM 1020 CB LEU A 68 9.506 -6.051 -0.580 1.00 0.00 C ATOM 1021 CG LEU A 68 8.421 -5.407 -1.445 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.122 -6.273 -2.659 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.157 -5.173 -0.633 1.00 0.00 C ATOM 0 H LEU A 68 10.557 -5.788 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 68 10.929 -4.438 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.558 -7.112 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.204 -5.978 0.465 1.00 0.00 H new ATOM 0 HG LEU A 68 8.789 -4.442 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.348 -5.799 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.027 -6.388 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.776 -7.253 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.398 -4.714 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.787 -6.125 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.380 -4.511 0.204 1.00 0.00 H new ATOM 1035 N THR A 69 12.775 -5.645 0.818 1.00 0.00 N ATOM 1036 CA THR A 69 13.752 -6.370 1.622 1.00 0.00 C ATOM 1037 C THR A 69 13.108 -6.907 2.895 1.00 0.00 C ATOM 1038 O THR A 69 11.905 -6.752 3.102 1.00 0.00 O ATOM 1039 CB THR A 69 14.966 -5.493 1.957 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.821 -4.888 3.231 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.215 -4.387 0.952 1.00 0.00 C ATOM 0 H THR A 69 12.833 -4.629 0.887 1.00 0.00 H new ATOM 0 HA THR A 69 14.107 -7.214 1.031 1.00 0.00 H new ATOM 0 HB THR A 69 15.816 -6.175 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.608 -4.336 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.088 -3.810 1.255 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.391 -4.822 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.345 -3.732 0.908 1.00 0.00 H new ATOM 1049 N GLN A 70 13.916 -7.553 3.735 1.00 0.00 N ATOM 1050 CA GLN A 70 13.428 -8.137 4.992 1.00 0.00 C ATOM 1051 C GLN A 70 12.367 -7.251 5.640 1.00 0.00 C ATOM 1052 O GLN A 70 11.395 -7.746 6.217 1.00 0.00 O ATOM 1053 CB GLN A 70 14.572 -8.374 5.997 1.00 0.00 C ATOM 1054 CG GLN A 70 15.972 -8.356 5.398 1.00 0.00 C ATOM 1055 CD GLN A 70 16.492 -6.948 5.178 1.00 0.00 C ATOM 1056 OE1 GLN A 70 16.944 -6.666 3.961 1.00 0.00 O flip ATOM 1057 NE2 GLN A 70 16.489 -6.123 6.092 1.00 0.00 N flip ATOM 0 H GLN A 70 14.914 -7.687 3.571 1.00 0.00 H new ATOM 0 HA GLN A 70 12.985 -9.099 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.516 -7.611 6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.414 -9.337 6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.653 -8.892 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.964 -8.889 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.132 -6.382 7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.843 -5.180 5.929 1.00 0.00 H new ATOM 1066 N GLU A 71 12.559 -5.939 5.540 1.00 0.00 N ATOM 1067 CA GLU A 71 11.622 -4.987 6.118 1.00 0.00 C ATOM 1068 C GLU A 71 10.274 -5.052 5.413 1.00 0.00 C ATOM 1069 O GLU A 71 9.272 -5.436 6.013 1.00 0.00 O ATOM 1070 CB GLU A 71 12.184 -3.566 6.038 1.00 0.00 C ATOM 1071 CG GLU A 71 11.568 -2.612 7.049 1.00 0.00 C ATOM 1072 CD GLU A 71 12.602 -1.747 7.743 1.00 0.00 C ATOM 1073 OE1 GLU A 71 13.043 -0.749 7.136 1.00 0.00 O ATOM 1074 OE2 GLU A 71 12.970 -2.068 8.893 1.00 0.00 O ATOM 0 H GLU A 71 13.355 -5.513 5.064 1.00 0.00 H new ATOM 0 HA GLU A 71 11.478 -5.253 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.262 -3.601 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.019 -3.175 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.844 -1.972 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.019 -3.186 7.796 1.00 0.00 H new ATOM 1081 N ASP A 72 10.256 -4.678 4.135 1.00 0.00 N ATOM 1082 CA ASP A 72 9.024 -4.697 3.355 1.00 0.00 C ATOM 1083 C ASP A 72 8.443 -6.107 3.280 1.00 0.00 C ATOM 1084 O ASP A 72 7.232 -6.282 3.161 1.00 0.00 O ATOM 1085 CB ASP A 72 9.265 -4.153 1.952 1.00 0.00 C ATOM 1086 CG ASP A 72 9.592 -2.673 1.952 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.071 -1.951 2.826 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.371 -2.237 1.077 1.00 0.00 O ATOM 0 H ASP A 72 11.078 -4.360 3.621 1.00 0.00 H new ATOM 0 HA ASP A 72 8.302 -4.055 3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.084 -4.703 1.488 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.379 -4.326 1.341 1.00 0.00 H new ATOM 1093 N THR A 73 9.308 -7.116 3.367 1.00 0.00 N ATOM 1094 CA THR A 73 8.852 -8.502 3.329 1.00 0.00 C ATOM 1095 C THR A 73 7.976 -8.775 4.545 1.00 0.00 C ATOM 1096 O THR A 73 6.767 -9.015 4.421 1.00 0.00 O ATOM 1097 CB THR A 73 10.040 -9.463 3.298 1.00 0.00 C ATOM 1098 OG1 THR A 73 10.919 -9.142 2.235 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.630 -10.908 3.131 1.00 0.00 C ATOM 0 H THR A 73 10.317 -7.001 3.463 1.00 0.00 H new ATOM 0 HA THR A 73 8.271 -8.662 2.421 1.00 0.00 H new ATOM 0 HB THR A 73 10.532 -9.347 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.243 -8.224 2.344 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.519 -11.539 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.989 -11.203 3.962 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.086 -11.026 2.194 1.00 0.00 H new ATOM 1107 N ALA A 74 8.579 -8.687 5.731 1.00 0.00 N ATOM 1108 CA ALA A 74 7.829 -8.872 6.965 1.00 0.00 C ATOM 1109 C ALA A 74 6.678 -7.874 6.994 1.00 0.00 C ATOM 1110 O ALA A 74 5.649 -8.098 7.630 1.00 0.00 O ATOM 1111 CB ALA A 74 8.732 -8.695 8.177 1.00 0.00 C ATOM 0 H ALA A 74 9.572 -8.491 5.859 1.00 0.00 H new ATOM 0 HA ALA A 74 7.430 -9.886 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.151 -8.838 9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.537 -9.429 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.156 -7.691 8.171 1.00 0.00 H new ATOM 1117 N LYS A 75 6.874 -6.776 6.266 1.00 0.00 N ATOM 1118 CA LYS A 75 5.883 -5.720 6.145 1.00 0.00 C ATOM 1119 C LYS A 75 4.588 -6.276 5.554 1.00 0.00 C ATOM 1120 O LYS A 75 3.517 -6.137 6.145 1.00 0.00 O ATOM 1121 CB LYS A 75 6.450 -4.623 5.246 1.00 0.00 C ATOM 1122 CG LYS A 75 6.003 -3.216 5.585 1.00 0.00 C ATOM 1123 CD LYS A 75 6.986 -2.519 6.508 1.00 0.00 C ATOM 1124 CE LYS A 75 8.215 -2.040 5.755 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.783 -0.799 6.351 1.00 0.00 N ATOM 0 H LYS A 75 7.731 -6.598 5.743 1.00 0.00 H new ATOM 0 HA LYS A 75 5.656 -5.309 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.538 -4.663 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.168 -4.838 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.894 -2.638 4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.022 -3.251 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.498 -1.670 6.987 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.288 -3.202 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.972 -2.824 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.953 -1.855 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.649 -0.533 5.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.088 -0.029 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.010 -0.967 7.352 1.00 0.00 H new ATOM 1139 N LEU A 76 4.695 -6.921 4.388 1.00 0.00 N ATOM 1140 CA LEU A 76 3.527 -7.508 3.737 1.00 0.00 C ATOM 1141 C LEU A 76 2.955 -8.628 4.595 1.00 0.00 C ATOM 1142 O LEU A 76 1.747 -8.687 4.834 1.00 0.00 O ATOM 1143 CB LEU A 76 3.874 -8.061 2.349 1.00 0.00 C ATOM 1144 CG LEU A 76 3.778 -7.051 1.205 1.00 0.00 C ATOM 1145 CD1 LEU A 76 4.850 -7.322 0.161 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.393 -7.091 0.575 1.00 0.00 C ATOM 0 H LEU A 76 5.572 -7.048 3.882 1.00 0.00 H new ATOM 0 HA LEU A 76 2.786 -6.717 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.888 -8.459 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.209 -8.897 2.132 1.00 0.00 H new ATOM 0 HG LEU A 76 3.942 -6.053 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.765 -6.593 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.835 -7.241 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.719 -8.326 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.342 -6.366 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.200 -8.090 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.644 -6.846 1.328 1.00 0.00 H new ATOM 1158 N LEU A 77 3.831 -9.521 5.058 1.00 0.00 N ATOM 1159 CA LEU A 77 3.396 -10.641 5.887 1.00 0.00 C ATOM 1160 C LEU A 77 2.808 -10.149 7.209 1.00 0.00 C ATOM 1161 O LEU A 77 2.013 -10.844 7.840 1.00 0.00 O ATOM 1162 CB LEU A 77 4.553 -11.627 6.126 1.00 0.00 C ATOM 1163 CG LEU A 77 5.391 -11.403 7.392 1.00 0.00 C ATOM 1164 CD1 LEU A 77 4.644 -11.884 8.630 1.00 0.00 C ATOM 1165 CD2 LEU A 77 6.728 -12.120 7.268 1.00 0.00 C ATOM 0 H LEU A 77 4.834 -9.490 4.875 1.00 0.00 H new ATOM 0 HA LEU A 77 2.609 -11.172 5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.140 -12.635 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.219 -11.587 5.264 1.00 0.00 H new ATOM 0 HG LEU A 77 5.572 -10.334 7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.258 -11.715 9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.708 -11.333 8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.430 -12.949 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.315 -11.955 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.557 -13.189 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.271 -11.731 6.407 1.00 0.00 H new ATOM 1177 N GLN A 78 3.199 -8.947 7.621 1.00 0.00 N ATOM 1178 CA GLN A 78 2.701 -8.371 8.866 1.00 0.00 C ATOM 1179 C GLN A 78 1.297 -7.809 8.681 1.00 0.00 C ATOM 1180 O GLN A 78 0.399 -8.077 9.481 1.00 0.00 O ATOM 1181 CB GLN A 78 3.643 -7.273 9.361 1.00 0.00 C ATOM 1182 CG GLN A 78 4.752 -7.788 10.264 1.00 0.00 C ATOM 1183 CD GLN A 78 5.958 -6.870 10.290 1.00 0.00 C ATOM 1184 OE1 GLN A 78 5.871 -5.702 9.914 1.00 0.00 O ATOM 1185 NE2 GLN A 78 7.092 -7.397 10.736 1.00 0.00 N ATOM 0 H GLN A 78 3.856 -8.355 7.114 1.00 0.00 H new ATOM 0 HA GLN A 78 2.660 -9.165 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.088 -6.772 8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.064 -6.524 9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.366 -7.903 11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.061 -8.777 9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 78 7.118 -8.371 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.937 -6.828 10.777 1.00 0.00 H new ATOM 1194 N SER A 79 1.112 -7.036 7.617 1.00 0.00 N ATOM 1195 CA SER A 79 -0.184 -6.442 7.322 1.00 0.00 C ATOM 1196 C SER A 79 -1.202 -7.529 7.017 1.00 0.00 C ATOM 1197 O SER A 79 -2.384 -7.400 7.335 1.00 0.00 O ATOM 1198 CB SER A 79 -0.071 -5.485 6.136 1.00 0.00 C ATOM 1199 OG SER A 79 -1.013 -4.431 6.238 1.00 0.00 O ATOM 0 H SER A 79 1.844 -6.807 6.945 1.00 0.00 H new ATOM 0 HA SER A 79 -0.516 -5.881 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.937 -5.073 6.092 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.232 -6.032 5.207 1.00 0.00 H new ATOM 0 HG SER A 79 -1.683 -4.521 5.529 1.00 0.00 H new ATOM 1205 N THR A 80 -0.727 -8.603 6.399 1.00 0.00 N ATOM 1206 CA THR A 80 -1.583 -9.724 6.045 1.00 0.00 C ATOM 1207 C THR A 80 -1.869 -10.596 7.261 1.00 0.00 C ATOM 1208 O THR A 80 -3.016 -10.731 7.686 1.00 0.00 O ATOM 1209 CB THR A 80 -0.920 -10.555 4.952 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.449 -10.766 5.242 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.007 -9.917 3.585 1.00 0.00 C ATOM 0 H THR A 80 0.251 -8.720 6.132 1.00 0.00 H new ATOM 0 HA THR A 80 -2.531 -9.331 5.677 1.00 0.00 H new ATOM 0 HB THR A 80 -1.467 -11.498 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.997 -10.177 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.517 -10.558 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.054 -9.787 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.513 -8.945 3.605 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.195 -11.322 0.093 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.341 -11.309 -1.362 1.00 0.00 C ATOM 1324 C ASN A 87 -3.058 -10.856 -2.062 1.00 0.00 C ATOM 1325 O ASN A 87 -3.029 -10.686 -3.293 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.510 -10.411 -1.776 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.176 -8.932 -1.699 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -5.389 -8.340 -0.532 1.00 0.00 O flip ATOM 1329 ND2 ASN A 87 -4.732 -8.331 -2.677 1.00 0.00 N flip ATOM 0 HA ASN A 87 -4.546 -12.333 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.808 -10.658 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.366 -10.619 -1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.584 -8.827 -3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.512 -7.337 -2.608 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.991 -10.657 -1.290 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.736 -10.232 -1.870 1.00 0.00 C ATOM 1338 C TYR A 88 0.200 -11.416 -2.035 1.00 0.00 C ATOM 1339 O TYR A 88 0.335 -12.247 -1.136 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.069 -9.147 -1.020 1.00 0.00 C ATOM 1341 CG TYR A 88 -1.042 -8.276 -0.260 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -2.025 -7.555 -0.922 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -0.975 -8.176 1.122 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.914 -6.759 -0.228 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -1.861 -7.383 1.825 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.829 -6.677 1.145 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.715 -5.886 1.840 1.00 0.00 O ATOM 0 H TYR A 88 -1.977 -10.783 -0.278 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.950 -9.809 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.609 -9.621 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.539 -8.515 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.096 -7.617 -1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.217 -8.728 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.673 -6.203 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.795 -7.317 2.901 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.339 -5.667 2.718 1.00 0.00 H new ATOM 1357 N ASP A 89 0.843 -11.489 -3.190 1.00 0.00 N ATOM 1358 CA ASP A 89 1.759 -12.557 -3.483 1.00 0.00 C ATOM 1359 C ASP A 89 3.183 -11.999 -3.443 1.00 0.00 C ATOM 1360 O ASP A 89 3.428 -10.848 -3.815 1.00 0.00 O ATOM 1361 CB ASP A 89 1.360 -13.154 -4.837 1.00 0.00 C ATOM 1362 CG ASP A 89 2.518 -13.704 -5.649 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.534 -14.107 -5.045 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.403 -13.743 -6.891 1.00 0.00 O ATOM 0 H ASP A 89 0.739 -10.808 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 89 1.722 -13.363 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.639 -13.954 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.854 -12.387 -5.423 1.00 0.00 H new ATOM 1369 N LEU A 90 4.105 -12.790 -2.936 1.00 0.00 N ATOM 1370 CA LEU A 90 5.487 -12.332 -2.788 1.00 0.00 C ATOM 1371 C LEU A 90 6.515 -13.332 -3.312 1.00 0.00 C ATOM 1372 O LEU A 90 6.338 -14.546 -3.212 1.00 0.00 O ATOM 1373 CB LEU A 90 5.777 -12.042 -1.308 1.00 0.00 C ATOM 1374 CG LEU A 90 5.499 -10.608 -0.838 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.910 -10.439 0.617 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.233 -9.606 -1.719 1.00 0.00 C ATOM 0 H LEU A 90 3.934 -13.745 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 90 5.582 -11.429 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.182 -12.724 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.824 -12.271 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 90 4.429 -10.418 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.707 -9.417 0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.343 -11.133 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.975 -10.647 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.024 -8.594 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.306 -9.793 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.895 -9.712 -2.750 1.00 0.00 H new ATOM 1388 N ARG A 91 7.614 -12.788 -3.833 1.00 0.00 N ATOM 1389 CA ARG A 91 8.729 -13.584 -4.343 1.00 0.00 C ATOM 1390 C ARG A 91 10.024 -12.993 -3.795 1.00 0.00 C ATOM 1391 O ARG A 91 10.233 -11.791 -3.894 1.00 0.00 O ATOM 1392 CB ARG A 91 8.743 -13.576 -5.875 1.00 0.00 C ATOM 1393 CG ARG A 91 8.381 -14.917 -6.495 1.00 0.00 C ATOM 1394 CD ARG A 91 9.619 -15.705 -6.895 1.00 0.00 C ATOM 1395 NE ARG A 91 9.616 -16.044 -8.316 1.00 0.00 N ATOM 1396 CZ ARG A 91 9.975 -15.201 -9.282 1.00 0.00 C ATOM 1397 NH1 ARG A 91 10.360 -13.966 -8.987 1.00 0.00 N ATOM 1398 NH2 ARG A 91 9.947 -15.594 -10.548 1.00 0.00 N ATOM 0 H ARG A 91 7.756 -11.781 -3.913 1.00 0.00 H new ATOM 0 HA ARG A 91 8.624 -14.620 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.044 -12.820 -6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.735 -13.282 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.793 -15.499 -5.785 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.754 -14.755 -7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.510 -15.122 -6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.673 -16.619 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 91 9.321 -16.983 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.382 -13.657 -8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.634 -13.325 -9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.651 -16.542 -10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.222 -14.949 -11.289 1.00 0.00 H new ATOM 1412 N SER A 92 10.876 -13.808 -3.179 1.00 0.00 N ATOM 1413 CA SER A 92 12.102 -13.272 -2.590 1.00 0.00 C ATOM 1414 C SER A 92 13.359 -13.566 -3.402 1.00 0.00 C ATOM 1415 O SER A 92 13.501 -14.617 -4.024 1.00 0.00 O ATOM 1416 CB SER A 92 12.284 -13.787 -1.164 1.00 0.00 C ATOM 1417 OG SER A 92 11.063 -14.272 -0.633 1.00 0.00 O ATOM 0 H SER A 92 10.748 -14.815 -3.075 1.00 0.00 H new ATOM 0 HA SER A 92 11.975 -12.189 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.029 -14.583 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.666 -12.986 -0.531 1.00 0.00 H new ATOM 0 HG SER A 92 11.209 -14.597 0.280 1.00 0.00 H new ATOM 1423 N VAL A 93 14.269 -12.596 -3.349 1.00 0.00 N ATOM 1424 CA VAL A 93 15.558 -12.645 -4.021 1.00 0.00 C ATOM 1425 C VAL A 93 16.448 -11.519 -3.458 1.00 0.00 C ATOM 1426 O VAL A 93 16.628 -11.426 -2.241 1.00 0.00 O ATOM 1427 CB VAL A 93 15.402 -12.506 -5.554 1.00 0.00 C ATOM 1428 CG1 VAL A 93 14.878 -13.798 -6.161 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.486 -11.339 -5.894 1.00 0.00 C ATOM 0 H VAL A 93 14.123 -11.734 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 93 16.023 -13.613 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 93 16.384 -12.305 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.776 -13.678 -7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.576 -14.608 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.906 -14.035 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.388 -11.257 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.504 -11.507 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.909 -10.416 -5.497 1.00 0.00 H new ATOM 1467 N ASN A 97 16.212 -9.284 -0.468 1.00 0.00 N ATOM 1468 CA ASN A 97 15.101 -8.469 -0.913 1.00 0.00 C ATOM 1469 C ASN A 97 14.085 -9.332 -1.631 1.00 0.00 C ATOM 1470 O ASN A 97 14.368 -10.472 -1.972 1.00 0.00 O ATOM 1471 CB ASN A 97 15.566 -7.352 -1.838 1.00 0.00 C ATOM 1472 CG ASN A 97 17.030 -6.996 -1.655 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.459 -6.888 -0.403 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.765 -6.821 -2.627 1.00 0.00 N flip ATOM 0 HA ASN A 97 14.645 -8.015 -0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.398 -7.652 -2.872 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.958 -6.465 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.392 -6.914 -3.572 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.747 -6.583 -2.488 1.00 0.00 H new ATOM 1481 N SER A 98 12.900 -8.792 -1.848 1.00 0.00 N ATOM 1482 CA SER A 98 11.850 -9.534 -2.518 1.00 0.00 C ATOM 1483 C SER A 98 11.074 -8.648 -3.479 1.00 0.00 C ATOM 1484 O SER A 98 11.118 -7.425 -3.400 1.00 0.00 O ATOM 1485 CB SER A 98 10.895 -10.131 -1.485 1.00 0.00 C ATOM 1486 OG SER A 98 9.626 -10.411 -2.049 1.00 0.00 O ATOM 0 H SER A 98 12.642 -7.845 -1.571 1.00 0.00 H new ATOM 0 HA SER A 98 12.317 -10.334 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.324 -11.047 -1.079 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.779 -9.437 -0.652 1.00 0.00 H new ATOM 0 HG SER A 98 9.737 -10.984 -2.836 1.00 0.00 H new ATOM 1492 N VAL A 99 10.351 -9.293 -4.372 1.00 0.00 N ATOM 1493 CA VAL A 99 9.532 -8.609 -5.349 1.00 0.00 C ATOM 1494 C VAL A 99 8.068 -8.780 -4.966 1.00 0.00 C ATOM 1495 O VAL A 99 7.691 -9.825 -4.423 1.00 0.00 O ATOM 1496 CB VAL A 99 9.789 -9.187 -6.759 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.494 -9.614 -7.432 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.544 -8.186 -7.620 1.00 0.00 C ATOM 0 H VAL A 99 10.316 -10.310 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 99 9.785 -7.549 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 99 10.407 -10.078 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.713 -10.015 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.006 -10.380 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.833 -8.753 -7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.715 -8.612 -8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.957 -7.272 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.502 -7.955 -7.154 1.00 0.00 H new ATOM 1508 N LEU A 100 7.237 -7.774 -5.235 1.00 0.00 N ATOM 1509 CA LEU A 100 5.834 -7.885 -4.883 1.00 0.00 C ATOM 1510 C LEU A 100 4.964 -8.165 -6.089 1.00 0.00 C ATOM 1511 O LEU A 100 4.773 -7.315 -6.961 1.00 0.00 O ATOM 1512 CB LEU A 100 5.328 -6.642 -4.159 1.00 0.00 C ATOM 1513 CG LEU A 100 3.881 -6.215 -4.474 1.00 0.00 C ATOM 1514 CD1 LEU A 100 2.925 -6.679 -3.388 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.799 -4.712 -4.649 1.00 0.00 C ATOM 0 H LEU A 100 7.506 -6.898 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 100 5.761 -8.735 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.409 -6.814 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.991 -5.811 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 100 3.584 -6.691 -5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.912 -6.364 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.959 -7.766 -3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.218 -6.241 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.771 -4.427 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.122 -4.221 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.446 -4.406 -5.471 1.00 0.00 H new ATOM 1527 N VAL A 101 4.377 -9.339 -6.074 1.00 0.00 N ATOM 1528 CA VAL A 101 3.437 -9.743 -7.088 1.00 0.00 C ATOM 1529 C VAL A 101 2.160 -10.018 -6.325 1.00 0.00 C ATOM 1530 O VAL A 101 2.065 -10.983 -5.585 1.00 0.00 O ATOM 1531 CB VAL A 101 3.907 -10.991 -7.870 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.569 -11.995 -6.940 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.749 -11.630 -8.627 1.00 0.00 C ATOM 0 H VAL A 101 4.540 -10.043 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 101 3.315 -8.974 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 101 4.648 -10.670 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.891 -12.864 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.434 -11.534 -6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.857 -12.308 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.107 -12.506 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.975 -11.931 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.335 -10.911 -9.334 1.00 0.00 H new ATOM 1543 N SER A 102 1.215 -9.119 -6.408 1.00 0.00 N ATOM 1544 CA SER A 102 0.016 -9.264 -5.619 1.00 0.00 C ATOM 1545 C SER A 102 -1.219 -8.849 -6.361 1.00 0.00 C ATOM 1546 O SER A 102 -1.177 -7.963 -7.214 1.00 0.00 O ATOM 1547 CB SER A 102 0.161 -8.413 -4.354 1.00 0.00 C ATOM 1548 OG SER A 102 -1.085 -7.874 -3.939 1.00 0.00 O ATOM 0 H SER A 102 1.248 -8.291 -7.003 1.00 0.00 H new ATOM 0 HA SER A 102 -0.100 -10.320 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.580 -9.021 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.865 -7.602 -4.540 1.00 0.00 H new ATOM 0 HG SER A 102 -0.936 -7.019 -3.484 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.331 -9.459 -5.965 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.633 -9.139 -6.510 1.00 0.00 C ATOM 1556 C LEU A 103 -4.555 -10.345 -6.555 1.00 0.00 C ATOM 1557 O LEU A 103 -5.064 -10.726 -7.610 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.578 -8.460 -7.889 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.846 -6.944 -7.884 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.337 -6.666 -7.977 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.268 -6.271 -6.640 1.00 0.00 C ATOM 0 H LEU A 103 -2.348 -10.191 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.049 -8.412 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.595 -8.638 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.307 -8.940 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.347 -6.523 -8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.507 -5.589 -7.972 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.730 -7.091 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.845 -7.118 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.478 -5.202 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.723 -6.702 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.190 -6.428 -6.609 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.802 -10.909 -5.390 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.706 -12.035 -5.261 1.00 0.00 C ATOM 1575 C ARG A 104 -7.143 -11.505 -5.164 1.00 0.00 C ATOM 1576 O ARG A 104 -8.111 -12.265 -5.180 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.320 -12.840 -4.023 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.860 -14.257 -4.325 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.762 -14.277 -5.379 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.513 -14.844 -4.867 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.270 -16.150 -4.783 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.190 -17.029 -5.160 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.103 -16.580 -4.321 1.00 0.00 N ATOM 0 H ARG A 104 -4.385 -10.603 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.640 -12.692 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.524 -12.315 -3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.175 -12.883 -3.349 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.496 -14.725 -3.410 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.707 -14.849 -4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.097 -14.857 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.580 -13.262 -5.731 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.786 -14.200 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.089 -16.705 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.998 -18.029 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.391 -15.910 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.917 -17.581 -4.257 1.00 0.00 H new ATOM 1597 N SER A 105 -7.240 -10.173 -5.082 1.00 0.00 N ATOM 1598 CA SER A 105 -8.501 -9.441 -4.997 1.00 0.00 C ATOM 1599 C SER A 105 -8.182 -7.947 -4.972 1.00 0.00 C ATOM 1600 O SER A 105 -7.010 -7.575 -4.899 1.00 0.00 O ATOM 1601 CB SER A 105 -9.295 -9.851 -3.761 1.00 0.00 C ATOM 1602 OG SER A 105 -9.786 -11.175 -3.878 1.00 0.00 O ATOM 0 H SER A 105 -6.422 -9.563 -5.073 1.00 0.00 H new ATOM 0 HA SER A 105 -9.122 -9.675 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.662 -9.773 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.129 -9.163 -3.617 1.00 0.00 H new ATOM 0 HG SER A 105 -9.456 -11.574 -4.710 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.189 -7.081 -5.061 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.911 -5.646 -5.073 1.00 0.00 C ATOM 1610 C ASP A 106 -9.244 -4.969 -3.746 1.00 0.00 C ATOM 1611 O ASP A 106 -10.399 -4.661 -3.457 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.693 -4.977 -6.206 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.788 -4.250 -7.181 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.623 -4.672 -7.337 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -9.244 -3.258 -7.787 1.00 0.00 O ATOM 0 H ASP A 106 -10.175 -7.335 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.839 -5.528 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.268 -5.732 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.408 -4.272 -5.783 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.199 -4.711 -2.969 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.316 -4.023 -1.691 1.00 0.00 C ATOM 1622 C GLN A 107 -6.921 -3.664 -1.182 1.00 0.00 C ATOM 1623 O GLN A 107 -5.932 -4.233 -1.646 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.075 -4.875 -0.679 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.463 -4.335 -0.342 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.192 -5.167 0.705 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.733 -6.389 0.922 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -12.147 -4.706 1.326 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.243 -4.974 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.888 -3.105 -1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.174 -5.887 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.489 -4.944 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.370 -3.310 0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.063 -4.300 -1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.473 -3.759 1.131 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.614 -5.270 2.036 1.00 0.00 H new ATOM 1637 N MET A 108 -6.827 -2.748 -0.227 1.00 0.00 N ATOM 1638 CA MET A 108 -5.522 -2.377 0.317 1.00 0.00 C ATOM 1639 C MET A 108 -5.644 -1.588 1.614 1.00 0.00 C ATOM 1640 O MET A 108 -6.555 -0.777 1.782 1.00 0.00 O ATOM 1641 CB MET A 108 -4.716 -1.577 -0.706 1.00 0.00 C ATOM 1642 CG MET A 108 -3.212 -1.742 -0.546 1.00 0.00 C ATOM 1643 SD MET A 108 -2.494 -2.826 -1.797 1.00 0.00 S ATOM 1644 CE MET A 108 -1.730 -4.080 -0.778 1.00 0.00 C ATOM 0 H MET A 108 -7.621 -2.255 0.182 1.00 0.00 H new ATOM 0 HA MET A 108 -4.997 -3.306 0.541 1.00 0.00 H new ATOM 0 HB2 MET A 108 -5.004 -1.889 -1.710 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.971 -0.521 -0.614 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.735 -0.763 -0.602 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.998 -2.145 0.444 1.00 0.00 H new ATOM 0 HE1 MET A 108 -1.449 -4.931 -1.398 1.00 0.00 H new ATOM 0 HE2 MET A 108 -0.840 -3.669 -0.301 1.00 0.00 H new ATOM 0 HE3 MET A 108 -2.434 -4.405 -0.012 1.00 0.00 H new ATOM 1654 N THR A 109 -4.702 -1.830 2.522 1.00 0.00 N ATOM 1655 CA THR A 109 -4.672 -1.145 3.809 1.00 0.00 C ATOM 1656 C THR A 109 -3.497 -0.176 3.877 1.00 0.00 C ATOM 1657 O THR A 109 -2.578 -0.244 3.060 1.00 0.00 O ATOM 1658 CB THR A 109 -4.568 -2.153 4.954 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.289 -2.762 4.972 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.598 -3.254 4.878 1.00 0.00 C ATOM 0 H THR A 109 -3.945 -2.500 2.388 1.00 0.00 H new ATOM 0 HA THR A 109 -5.601 -0.585 3.910 1.00 0.00 H new ATOM 0 HB THR A 109 -4.744 -1.576 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.320 -3.604 4.471 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.467 -3.933 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.597 -2.820 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.474 -3.804 3.945 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.525 0.723 4.859 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.453 1.697 5.031 1.00 0.00 C ATOM 1670 C LEU A 110 -1.099 1.000 5.082 1.00 0.00 C ATOM 1671 O LEU A 110 -0.224 1.268 4.260 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.669 2.517 6.303 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.583 3.733 6.141 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.272 4.067 7.458 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.789 4.927 5.627 1.00 0.00 C ATOM 0 H LEU A 110 -4.276 0.796 5.545 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.467 2.371 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.088 1.866 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.699 2.856 6.668 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.354 3.492 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.917 4.935 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.872 3.216 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.521 4.290 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.452 5.785 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.997 5.170 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.349 4.682 4.660 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.930 0.100 6.049 1.00 0.00 N ATOM 1688 CA GLN A 111 0.327 -0.635 6.185 1.00 0.00 C ATOM 1689 C GLN A 111 0.773 -1.193 4.835 1.00 0.00 C ATOM 1690 O GLN A 111 1.800 -0.785 4.292 1.00 0.00 O ATOM 1691 CB GLN A 111 0.187 -1.779 7.195 1.00 0.00 C ATOM 1692 CG GLN A 111 1.350 -2.768 7.168 1.00 0.00 C ATOM 1693 CD GLN A 111 2.543 -2.295 7.974 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.493 -1.658 7.300 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.609 -2.498 9.187 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.639 -0.137 6.743 1.00 0.00 H new ATOM 0 HA GLN A 111 1.081 0.063 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.102 -1.359 8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.740 -2.316 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.013 -3.729 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.657 -2.932 6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 111 1.854 -2.992 9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.418 -2.172 9.715 1.00 0.00 H new ATOM 1704 N ASP A 112 -0.014 -2.125 4.296 1.00 0.00 N ATOM 1705 CA ASP A 112 0.290 -2.739 3.007 1.00 0.00 C ATOM 1706 C ASP A 112 0.662 -1.674 1.986 1.00 0.00 C ATOM 1707 O ASP A 112 1.654 -1.796 1.258 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.911 -3.540 2.511 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.017 -4.892 3.183 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -0.082 -5.706 3.028 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.033 -5.138 3.866 1.00 0.00 O ATOM 0 H ASP A 112 -0.868 -2.470 4.735 1.00 0.00 H new ATOM 0 HA ASP A 112 1.138 -3.412 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.824 -2.973 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.833 -3.678 1.433 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.137 -0.615 1.953 1.00 0.00 N ATOM 1717 CA ALA A 113 0.102 0.488 1.042 1.00 0.00 C ATOM 1718 C ALA A 113 1.538 0.977 1.168 1.00 0.00 C ATOM 1719 O ALA A 113 2.318 0.888 0.223 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.873 1.621 1.320 1.00 0.00 C ATOM 0 H ALA A 113 -0.957 -0.500 2.549 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.055 0.139 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.683 2.442 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.894 1.263 1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.742 1.970 2.344 1.00 0.00 H new ATOM 1726 N LYS A 114 1.885 1.484 2.346 1.00 0.00 N ATOM 1727 CA LYS A 114 3.231 1.982 2.588 1.00 0.00 C ATOM 1728 C LYS A 114 4.267 0.871 2.443 1.00 0.00 C ATOM 1729 O LYS A 114 5.447 1.147 2.237 1.00 0.00 O ATOM 1730 CB LYS A 114 3.319 2.656 3.971 1.00 0.00 C ATOM 1731 CG LYS A 114 3.991 1.831 5.065 1.00 0.00 C ATOM 1732 CD LYS A 114 2.976 1.289 6.054 1.00 0.00 C ATOM 1733 CE LYS A 114 3.280 1.710 7.462 1.00 0.00 C ATOM 1734 NZ LYS A 114 2.286 1.178 8.433 1.00 0.00 N ATOM 0 H LYS A 114 1.255 1.560 3.144 1.00 0.00 H new ATOM 0 HA LYS A 114 3.455 2.734 1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.862 3.595 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.310 2.907 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.539 1.004 4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.720 2.447 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.980 1.637 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 114 2.960 0.201 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.276 1.363 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.295 2.798 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.282 1.772 9.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.340 1.186 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 2.540 0.203 8.691 1.00 0.00 H new ATOM 1748 N VAL A 115 3.832 -0.384 2.540 1.00 0.00 N ATOM 1749 CA VAL A 115 4.756 -1.501 2.400 1.00 0.00 C ATOM 1750 C VAL A 115 5.319 -1.535 0.989 1.00 0.00 C ATOM 1751 O VAL A 115 6.525 -1.329 0.754 1.00 0.00 O ATOM 1752 CB VAL A 115 4.071 -2.851 2.685 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.007 -4.006 2.366 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.601 -2.923 4.122 1.00 0.00 C ATOM 0 H VAL A 115 2.862 -0.648 2.712 1.00 0.00 H new ATOM 0 HA VAL A 115 5.553 -1.353 3.128 1.00 0.00 H new ATOM 0 HB VAL A 115 3.197 -2.932 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.504 -4.950 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.286 -3.968 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.903 -3.929 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.120 -3.885 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.455 -2.815 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.888 -2.121 4.312 1.00 0.00 H new ATOM 1764 N LEU A 116 4.426 -1.781 0.043 1.00 0.00 N ATOM 1765 CA LEU A 116 4.813 -1.837 -1.345 1.00 0.00 C ATOM 1766 C LEU A 116 5.369 -0.495 -1.766 1.00 0.00 C ATOM 1767 O LEU A 116 6.295 -0.430 -2.554 1.00 0.00 O ATOM 1768 CB LEU A 116 3.620 -2.212 -2.221 1.00 0.00 C ATOM 1769 CG LEU A 116 2.813 -3.445 -1.784 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.606 -4.333 -0.835 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.498 -3.020 -1.148 1.00 0.00 C ATOM 0 H LEU A 116 3.434 -1.943 0.217 1.00 0.00 H new ATOM 0 HA LEU A 116 5.580 -2.602 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.944 -1.358 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.981 -2.382 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 116 2.599 -4.033 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.000 -5.193 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.513 -4.677 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.873 -3.766 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.938 -3.905 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.700 -2.400 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.912 -2.450 -1.869 1.00 0.00 H new ATOM 1783 N LEU A 117 4.794 0.570 -1.217 1.00 0.00 N ATOM 1784 CA LEU A 117 5.235 1.928 -1.519 1.00 0.00 C ATOM 1785 C LEU A 117 6.591 2.203 -0.909 1.00 0.00 C ATOM 1786 O LEU A 117 7.343 3.041 -1.398 1.00 0.00 O ATOM 1787 CB LEU A 117 4.223 2.948 -1.003 1.00 0.00 C ATOM 1788 CG LEU A 117 3.235 3.444 -2.047 1.00 0.00 C ATOM 1789 CD1 LEU A 117 1.894 2.750 -1.896 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.065 4.949 -1.946 1.00 0.00 C ATOM 0 H LEU A 117 4.018 0.519 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 117 5.313 2.020 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.667 2.503 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.764 3.804 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 117 3.635 3.204 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.205 3.122 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.025 1.675 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.488 2.954 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.354 5.286 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.692 5.207 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.027 5.436 -2.110 1.00 0.00 H new ATOM 1802 N GLU A 118 6.918 1.469 0.136 1.00 0.00 N ATOM 1803 CA GLU A 118 8.208 1.622 0.765 1.00 0.00 C ATOM 1804 C GLU A 118 9.229 1.088 -0.204 1.00 0.00 C ATOM 1805 O GLU A 118 10.232 1.738 -0.505 1.00 0.00 O ATOM 1806 CB GLU A 118 8.280 0.867 2.094 1.00 0.00 C ATOM 1807 CG GLU A 118 9.644 0.949 2.760 1.00 0.00 C ATOM 1808 CD GLU A 118 9.557 1.316 4.229 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.598 2.020 4.609 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.448 0.899 4.999 1.00 0.00 O ATOM 0 H GLU A 118 6.312 0.768 0.562 1.00 0.00 H new ATOM 0 HA GLU A 118 8.393 2.671 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.527 1.268 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.029 -0.180 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.151 -0.010 2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.254 1.688 2.240 1.00 0.00 H new ATOM 1817 N ALA A 119 8.924 -0.089 -0.739 1.00 0.00 N ATOM 1818 CA ALA A 119 9.790 -0.701 -1.727 1.00 0.00 C ATOM 1819 C ALA A 119 9.593 -0.039 -3.081 1.00 0.00 C ATOM 1820 O ALA A 119 10.471 -0.085 -3.944 1.00 0.00 O ATOM 1821 CB ALA A 119 9.540 -2.196 -1.817 1.00 0.00 C ATOM 0 H ALA A 119 8.091 -0.630 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 119 10.824 -0.554 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.202 -2.631 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.735 -2.656 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.503 -2.375 -2.102 1.00 0.00 H new ATOM 1827 N ALA A 120 8.437 0.590 -3.254 1.00 0.00 N ATOM 1828 CA ALA A 120 8.122 1.272 -4.488 1.00 0.00 C ATOM 1829 C ALA A 120 8.891 2.572 -4.565 1.00 0.00 C ATOM 1830 O ALA A 120 9.662 2.792 -5.493 1.00 0.00 O ATOM 1831 CB ALA A 120 6.628 1.515 -4.612 1.00 0.00 C ATOM 0 H ALA A 120 7.703 0.638 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 120 8.420 0.638 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.420 2.030 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.102 0.561 -4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.289 2.129 -3.778 1.00 0.00 H new ATOM 1837 N LEU A 121 8.711 3.422 -3.564 1.00 0.00 N ATOM 1838 CA LEU A 121 9.431 4.677 -3.525 1.00 0.00 C ATOM 1839 C LEU A 121 10.929 4.375 -3.479 1.00 0.00 C ATOM 1840 O LEU A 121 11.740 5.071 -4.082 1.00 0.00 O ATOM 1841 CB LEU A 121 8.987 5.519 -2.320 1.00 0.00 C ATOM 1842 CG LEU A 121 10.047 5.821 -1.257 1.00 0.00 C ATOM 1843 CD1 LEU A 121 9.926 7.259 -0.774 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.891 4.859 -0.105 1.00 0.00 C ATOM 0 H LEU A 121 8.079 3.264 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 121 9.212 5.262 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.601 6.468 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.157 5.006 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 121 11.037 5.696 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.688 7.455 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.066 7.938 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.938 7.416 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.645 5.073 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.898 4.970 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.017 3.838 -0.464 1.00 0.00 H new ATOM 1856 N ARG A 122 11.274 3.315 -2.747 1.00 0.00 N ATOM 1857 CA ARG A 122 12.659 2.883 -2.594 1.00 0.00 C ATOM 1858 C ARG A 122 13.302 2.502 -3.932 1.00 0.00 C ATOM 1859 O ARG A 122 14.442 2.879 -4.204 1.00 0.00 O ATOM 1860 CB ARG A 122 12.709 1.696 -1.622 1.00 0.00 C ATOM 1861 CG ARG A 122 13.886 0.760 -1.833 1.00 0.00 C ATOM 1862 CD ARG A 122 13.918 -0.343 -0.788 1.00 0.00 C ATOM 1863 NE ARG A 122 15.216 -0.425 -0.121 1.00 0.00 N ATOM 1864 CZ ARG A 122 15.395 -0.933 1.097 1.00 0.00 C ATOM 1865 NH1 ARG A 122 14.364 -1.406 1.787 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.610 -0.970 1.627 1.00 0.00 N ATOM 0 H ARG A 122 10.601 2.735 -2.246 1.00 0.00 H new ATOM 0 HA ARG A 122 13.233 3.720 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.744 2.079 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.785 1.125 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.826 0.318 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.815 1.328 -1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.140 -0.163 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.692 -1.298 -1.262 1.00 0.00 H new ATOM 0 HE ARG A 122 16.034 -0.072 -0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.427 -1.382 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.509 -1.794 2.719 1.00 0.00 H new ATOM 0 HH21 ARG A 122 17.407 -0.610 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.748 -1.359 2.560 1.00 0.00 H new ATOM 1880 N GLN A 123 12.594 1.721 -4.742 1.00 0.00 N ATOM 1881 CA GLN A 123 13.140 1.263 -6.019 1.00 0.00 C ATOM 1882 C GLN A 123 12.736 2.134 -7.212 1.00 0.00 C ATOM 1883 O GLN A 123 13.374 2.068 -8.263 1.00 0.00 O ATOM 1884 CB GLN A 123 12.714 -0.184 -6.272 1.00 0.00 C ATOM 1885 CG GLN A 123 13.739 -1.207 -5.811 1.00 0.00 C ATOM 1886 CD GLN A 123 14.828 -1.445 -6.839 1.00 0.00 C ATOM 1887 OE1 GLN A 123 14.591 -2.058 -7.879 1.00 0.00 O ATOM 1888 NE2 GLN A 123 16.029 -0.958 -6.551 1.00 0.00 N ATOM 0 H GLN A 123 11.649 1.393 -4.541 1.00 0.00 H new ATOM 0 HA GLN A 123 14.224 1.339 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 123 11.770 -0.371 -5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.531 -0.320 -7.338 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.192 -0.868 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.235 -2.149 -5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.179 -0.456 -5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.801 -1.086 -7.205 1.00 0.00 H new ATOM 1897 N GLU A 124 11.674 2.922 -7.078 1.00 0.00 N ATOM 1898 CA GLU A 124 11.218 3.752 -8.196 1.00 0.00 C ATOM 1899 C GLU A 124 11.764 5.175 -8.139 1.00 0.00 C ATOM 1900 O GLU A 124 12.531 5.590 -9.008 1.00 0.00 O ATOM 1901 CB GLU A 124 9.689 3.815 -8.225 1.00 0.00 C ATOM 1902 CG GLU A 124 9.014 2.463 -8.046 1.00 0.00 C ATOM 1903 CD GLU A 124 8.640 1.818 -9.366 1.00 0.00 C ATOM 1904 OE1 GLU A 124 7.904 2.454 -10.149 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.083 0.678 -9.615 1.00 0.00 O ATOM 0 H GLU A 124 11.120 3.006 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 124 11.600 3.280 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.348 4.488 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.371 4.247 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.681 1.798 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.117 2.587 -7.439 1.00 0.00 H new ATOM 1912 N SER A 125 11.337 5.929 -7.135 1.00 0.00 N ATOM 1913 CA SER A 125 11.756 7.318 -6.995 1.00 0.00 C ATOM 1914 C SER A 125 12.935 7.483 -6.045 1.00 0.00 C ATOM 1915 O SER A 125 14.016 7.913 -6.447 1.00 0.00 O ATOM 1916 CB SER A 125 10.581 8.164 -6.503 1.00 0.00 C ATOM 1917 OG SER A 125 9.721 7.407 -5.670 1.00 0.00 O ATOM 0 H SER A 125 10.702 5.603 -6.406 1.00 0.00 H new ATOM 0 HA SER A 125 12.082 7.655 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.956 9.028 -5.954 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.022 8.546 -7.357 1.00 0.00 H new ATOM 0 HG SER A 125 9.161 8.013 -5.142 1.00 0.00 H new