USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 88 TYR OH : rot 80:sc= 0.554 USER MOD Set 1.2: A 108 MET CE :methyl -179:sc= -9.26! (180deg=-9.46!) USER MOD Set 1.3: A 109 THR OG1 : rot 180:sc= 0.0291 USER MOD Set 2.1: A 40 GLN : amide:sc= -4.25 K(o=-20,f=-26!) USER MOD Set 2.2: A 107 GLN : amide:sc= -15.5! C(o=-20!,f=-21!) USER MOD Set 3.1: A 84 ASN : amide:sc= -0.75 X(o=-1.3,f=-1.8) USER MOD Set 3.2: A 86 ASN :FLIP amide:sc= -0.554 X(o=-1.8,f=-1.3) USER MOD Set 4.1: A 69 THR OG1 : rot 136:sc= 1.05 USER MOD Set 4.2: A 70 GLN : amide:sc= -0.683 K(o=0.37,f=-5.8!) USER MOD Set 5.1: A 20 SER OG : rot 50:sc= -1.76 USER MOD Set 5.2: A 23 CYS SG : rot 180:sc= 0 USER MOD Set 6.1: A 9 HIS : no HE2:sc= -5.86! C(o=-7.9!,f=-12!) USER MOD Set 6.2: A 13 SER OG : rot 75:sc= -2.02! USER MOD Set 7.1: A 2 ASN : amide:sc= -4.34 K(o=-4.5,f=-9.1!) USER MOD Set 7.2: A 62 HIS : no HE2:sc= -0.176 K(o=-4.5,f=-8.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 131:sc= -0.0693 (180deg=-0.893) USER MOD Single : A 4 SER OG : rot -138:sc= 1.38! USER MOD Single : A 6 SER OG : rot 178:sc= -1.52! USER MOD Single : A 11 GLN :FLIP amide:sc= -13! C(o=-17!,f=-13!) USER MOD Single : A 17 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.6) USER MOD Single : A 24 THR OG1 : rot 72:sc= -2.13! USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.305 (180deg=-0.279) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.1 F(o=-4.9!,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -6.28! C(o=-6.3!,f=-7!) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.0145 (180deg=-0.25) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.596 USER MOD Single : A 38 THR OG1 : rot 46:sc= 0.355 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 46 SER OG : rot 170:sc= -0.383 USER MOD Single : A 51 SER OG : rot 140:sc= 0.153 USER MOD Single : A 53 LYS NZ :NH3+ -115:sc= -1.22! (180deg=-2.16!) USER MOD Single : A 57 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.16) USER MOD Single : A 58 THR OG1 : rot -98:sc= -2.88! USER MOD Single : A 61 SER OG : rot 58:sc= 1.18 USER MOD Single : A 65 ASN : amide:sc= -3.08 K(o=-3.1,f=-4.7!) USER MOD Single : A 73 THR OG1 : rot -80:sc= -4.24 USER MOD Single : A 75 LYS NZ :NH3+ -109:sc= -1.38 (180deg=-3.89!) USER MOD Single : A 78 GLN : amide:sc= -0.809 K(o=-0.81,f=-1.5!) USER MOD Single : A 79 SER OG : rot -76:sc= -2.68! USER MOD Single : A 80 THR OG1 : rot 97:sc= 0.923 USER MOD Single : A 82 LYS NZ :NH3+ 153:sc= 0.251 (180deg=-0.273) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 87 ASN : amide:sc= -7.89! C(o=-7.9!,f=-8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN :FLIP amide:sc= -1.07 F(o=-1.7,f=-1.1) USER MOD Single : A 97 ASN :FLIP amide:sc= -3.6! C(o=-4.6!,f=-3.6!) USER MOD Single : A 98 SER OG : rot 78:sc= 0.348 USER MOD Single : A 102 SER OG : rot 135:sc= 0.437 USER MOD Single : A 105 SER OG : rot 84:sc= 0.977 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.976 F(o=-2.7!,f=-0.98) USER MOD Single : A 114 LYS NZ :NH3+ -119:sc= -6.75! (180deg=-12.4!) USER MOD Single : A 123 GLN : amide:sc= -2.97 K(o=-3,f=-5.4!) USER MOD Single : A 125 SER OG : rot -130:sc= 0.111 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.655 8.907 -13.279 1.00 0.00 N ATOM 2 CA MET A 1 -3.534 8.427 -12.179 1.00 0.00 C ATOM 3 C MET A 1 -2.858 8.596 -10.822 1.00 0.00 C ATOM 4 O MET A 1 -1.656 8.847 -10.744 1.00 0.00 O ATOM 5 CB MET A 1 -3.869 6.954 -12.426 1.00 0.00 C ATOM 6 CG MET A 1 -2.647 6.052 -12.491 1.00 0.00 C ATOM 7 SD MET A 1 -2.767 4.811 -13.794 1.00 0.00 S ATOM 8 CE MET A 1 -1.275 5.151 -14.724 1.00 0.00 C ATOM 0 H1 MET A 1 -2.610 8.186 -14.027 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.041 9.789 -13.672 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.699 9.082 -12.908 1.00 0.00 H new ATOM 0 HA MET A 1 -4.448 9.020 -12.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.527 6.602 -11.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.423 6.868 -13.361 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.759 6.662 -12.656 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.517 5.553 -11.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.206 4.462 -15.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.303 6.176 -15.094 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.406 5.022 -14.078 1.00 0.00 H new ATOM 20 N ASN A 2 -3.640 8.459 -9.755 1.00 0.00 N ATOM 21 CA ASN A 2 -3.122 8.597 -8.396 1.00 0.00 C ATOM 22 C ASN A 2 -2.256 9.848 -8.261 1.00 0.00 C ATOM 23 O ASN A 2 -2.243 10.708 -9.141 1.00 0.00 O ATOM 24 CB ASN A 2 -2.316 7.350 -8.000 1.00 0.00 C ATOM 25 CG ASN A 2 -0.881 7.385 -8.501 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.002 7.960 -7.861 1.00 0.00 O ATOM 27 ND2 ASN A 2 -0.640 6.766 -9.651 1.00 0.00 N ATOM 0 H ASN A 2 -4.638 8.252 -9.805 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.973 8.697 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.313 7.256 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.811 6.463 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.304 6.755 -10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.399 6.301 -10.149 1.00 0.00 H new ATOM 34 N LEU A 3 -1.521 9.926 -7.159 1.00 0.00 N ATOM 35 CA LEU A 3 -0.632 11.060 -6.914 1.00 0.00 C ATOM 36 C LEU A 3 0.796 10.727 -7.366 1.00 0.00 C ATOM 37 O LEU A 3 1.124 10.879 -8.543 1.00 0.00 O ATOM 38 CB LEU A 3 -0.658 11.497 -5.434 1.00 0.00 C ATOM 39 CG LEU A 3 -1.287 10.518 -4.436 1.00 0.00 C ATOM 40 CD1 LEU A 3 -0.560 9.184 -4.446 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.260 11.111 -3.035 1.00 0.00 C ATOM 0 H LEU A 3 -1.521 9.221 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.995 11.902 -7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.367 11.692 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.197 12.442 -5.368 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.321 10.347 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.028 8.509 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.614 8.748 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.484 9.337 -4.173 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.709 10.408 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.228 11.306 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.823 12.044 -3.024 1.00 0.00 H new ATOM 53 N SER A 4 1.642 10.265 -6.443 1.00 0.00 N ATOM 54 CA SER A 4 3.018 9.909 -6.777 1.00 0.00 C ATOM 55 C SER A 4 3.453 8.667 -6.006 1.00 0.00 C ATOM 56 O SER A 4 2.631 7.986 -5.396 1.00 0.00 O ATOM 57 CB SER A 4 3.962 11.075 -6.469 1.00 0.00 C ATOM 58 OG SER A 4 5.312 10.724 -6.721 1.00 0.00 O ATOM 0 H SER A 4 1.397 10.130 -5.462 1.00 0.00 H new ATOM 0 HA SER A 4 3.065 9.691 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.689 11.938 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.849 11.371 -5.426 1.00 0.00 H new ATOM 0 HG SER A 4 5.880 11.070 -6.001 1.00 0.00 H new ATOM 64 N LEU A 5 4.748 8.372 -6.040 1.00 0.00 N ATOM 65 CA LEU A 5 5.280 7.206 -5.341 1.00 0.00 C ATOM 66 C LEU A 5 5.816 7.579 -3.969 1.00 0.00 C ATOM 67 O LEU A 5 5.298 7.151 -2.940 1.00 0.00 O ATOM 68 CB LEU A 5 6.415 6.572 -6.147 1.00 0.00 C ATOM 69 CG LEU A 5 6.494 5.069 -6.073 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.689 4.547 -6.857 1.00 0.00 C ATOM 71 CD2 LEU A 5 6.549 4.603 -4.631 1.00 0.00 C ATOM 0 H LEU A 5 5.447 8.921 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 5 4.459 6.498 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.304 6.863 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.361 6.987 -5.800 1.00 0.00 H new ATOM 0 HG LEU A 5 5.591 4.661 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.723 3.460 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.595 4.841 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.606 4.966 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.606 3.515 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.429 5.025 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.652 4.934 -4.107 1.00 0.00 H new ATOM 83 N SER A 6 6.875 8.364 -3.977 1.00 0.00 N ATOM 84 CA SER A 6 7.527 8.791 -2.757 1.00 0.00 C ATOM 85 C SER A 6 6.611 9.669 -1.912 1.00 0.00 C ATOM 86 O SER A 6 6.595 9.559 -0.686 1.00 0.00 O ATOM 87 CB SER A 6 8.816 9.511 -3.124 1.00 0.00 C ATOM 88 OG SER A 6 8.664 10.919 -3.062 1.00 0.00 O ATOM 0 H SER A 6 7.307 8.723 -4.829 1.00 0.00 H new ATOM 0 HA SER A 6 7.763 7.920 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.612 9.200 -2.447 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.121 9.222 -4.130 1.00 0.00 H new ATOM 0 HG SER A 6 9.519 11.350 -3.271 1.00 0.00 H new ATOM 94 N ASP A 7 5.823 10.517 -2.566 1.00 0.00 N ATOM 95 CA ASP A 7 4.891 11.372 -1.847 1.00 0.00 C ATOM 96 C ASP A 7 3.839 10.495 -1.198 1.00 0.00 C ATOM 97 O ASP A 7 3.605 10.560 0.008 1.00 0.00 O ATOM 98 CB ASP A 7 4.230 12.385 -2.788 1.00 0.00 C ATOM 99 CG ASP A 7 5.194 12.940 -3.820 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.769 12.139 -4.587 1.00 0.00 O ATOM 101 OD2 ASP A 7 5.374 14.175 -3.860 1.00 0.00 O ATOM 0 H ASP A 7 5.812 10.629 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 7 5.432 11.936 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.393 11.909 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.820 13.207 -2.201 1.00 0.00 H new ATOM 106 N LEU A 8 3.234 9.639 -2.012 1.00 0.00 N ATOM 107 CA LEU A 8 2.229 8.707 -1.533 1.00 0.00 C ATOM 108 C LEU A 8 2.738 7.977 -0.303 1.00 0.00 C ATOM 109 O LEU A 8 2.102 7.986 0.749 1.00 0.00 O ATOM 110 CB LEU A 8 1.895 7.701 -2.623 1.00 0.00 C ATOM 111 CG LEU A 8 0.766 6.740 -2.280 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.507 7.512 -1.967 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.546 5.765 -3.422 1.00 0.00 C ATOM 0 H LEU A 8 3.425 9.573 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 8 1.330 9.264 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.628 8.244 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.790 7.122 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 8 1.042 6.170 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.306 6.812 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.332 8.173 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.796 8.105 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.264 5.082 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.284 6.316 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.459 5.196 -3.596 1.00 0.00 H new ATOM 125 N HIS A 9 3.906 7.362 -0.443 1.00 0.00 N ATOM 126 CA HIS A 9 4.526 6.644 0.658 1.00 0.00 C ATOM 127 C HIS A 9 4.634 7.551 1.870 1.00 0.00 C ATOM 128 O HIS A 9 4.395 7.136 2.998 1.00 0.00 O ATOM 129 CB HIS A 9 5.920 6.167 0.262 1.00 0.00 C ATOM 130 CG HIS A 9 6.596 5.354 1.322 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.700 5.797 2.018 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.314 4.123 1.812 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.068 4.875 2.889 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.244 3.849 2.785 1.00 0.00 N ATOM 0 H HIS A 9 4.442 7.348 -1.311 1.00 0.00 H new ATOM 0 HA HIS A 9 3.907 5.780 0.900 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.847 5.573 -0.649 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.539 7.033 0.029 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.161 6.697 1.882 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.508 3.477 1.496 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.902 4.948 3.571 1.00 0.00 H new ATOM 143 N ARG A 10 5.004 8.796 1.614 1.00 0.00 N ATOM 144 CA ARG A 10 5.161 9.780 2.681 1.00 0.00 C ATOM 145 C ARG A 10 3.881 9.932 3.502 1.00 0.00 C ATOM 146 O ARG A 10 3.901 9.743 4.717 1.00 0.00 O ATOM 147 CB ARG A 10 5.582 11.140 2.118 1.00 0.00 C ATOM 148 CG ARG A 10 6.967 11.137 1.491 1.00 0.00 C ATOM 149 CD ARG A 10 7.977 11.871 2.359 1.00 0.00 C ATOM 150 NE ARG A 10 9.132 12.327 1.590 1.00 0.00 N ATOM 151 CZ ARG A 10 9.104 13.362 0.754 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.982 14.048 0.573 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.201 13.711 0.095 1.00 0.00 N ATOM 0 H ARG A 10 5.202 9.152 0.679 1.00 0.00 H new ATOM 0 HA ARG A 10 5.947 9.412 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.854 11.455 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.556 11.879 2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.296 10.109 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.923 11.606 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.495 12.727 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.312 11.213 3.160 1.00 0.00 H new ATOM 0 HE ARG A 10 10.012 11.823 1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.135 13.783 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.967 14.840 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.065 13.186 0.229 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.180 14.504 -0.546 1.00 0.00 H new ATOM 167 N GLN A 11 2.771 10.282 2.850 1.00 0.00 N ATOM 168 CA GLN A 11 1.510 10.461 3.574 1.00 0.00 C ATOM 169 C GLN A 11 1.021 9.150 4.185 1.00 0.00 C ATOM 170 O GLN A 11 0.694 9.098 5.372 1.00 0.00 O ATOM 171 CB GLN A 11 0.409 11.078 2.696 1.00 0.00 C ATOM 172 CG GLN A 11 0.473 10.704 1.228 1.00 0.00 C ATOM 173 CD GLN A 11 1.320 11.665 0.424 1.00 0.00 C ATOM 174 OE1 GLN A 11 1.228 11.573 -0.895 1.00 0.00 O flip ATOM 175 NE2 GLN A 11 2.052 12.483 0.981 1.00 0.00 N flip ATOM 0 H GLN A 11 2.717 10.444 1.844 1.00 0.00 H new ATOM 0 HA GLN A 11 1.723 11.163 4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.561 10.775 3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.463 12.163 2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.879 9.697 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.536 10.682 0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.093 12.520 1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.618 13.124 0.424 1.00 0.00 H new ATOM 184 N VAL A 12 0.974 8.088 3.385 1.00 0.00 N ATOM 185 CA VAL A 12 0.520 6.795 3.883 1.00 0.00 C ATOM 186 C VAL A 12 1.412 6.310 5.029 1.00 0.00 C ATOM 187 O VAL A 12 0.923 5.897 6.091 1.00 0.00 O ATOM 188 CB VAL A 12 0.487 5.745 2.751 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.891 5.412 2.277 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.246 4.490 3.198 1.00 0.00 C ATOM 0 H VAL A 12 1.241 8.097 2.401 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.494 6.923 4.262 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.058 6.174 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.840 4.670 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.372 6.315 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.470 5.011 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.256 3.765 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.262 4.060 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.270 4.744 3.470 1.00 0.00 H new ATOM 200 N SER A 13 2.724 6.379 4.817 1.00 0.00 N ATOM 201 CA SER A 13 3.680 5.963 5.833 1.00 0.00 C ATOM 202 C SER A 13 3.562 6.848 7.060 1.00 0.00 C ATOM 203 O SER A 13 3.458 6.360 8.181 1.00 0.00 O ATOM 204 CB SER A 13 5.113 6.019 5.297 1.00 0.00 C ATOM 205 OG SER A 13 5.278 5.167 4.177 1.00 0.00 O ATOM 0 H SER A 13 3.146 6.718 3.953 1.00 0.00 H new ATOM 0 HA SER A 13 3.451 4.933 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.359 7.043 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.809 5.728 6.084 1.00 0.00 H new ATOM 0 HG SER A 13 4.851 5.571 3.393 1.00 0.00 H new ATOM 211 N ARG A 14 3.566 8.156 6.837 1.00 0.00 N ATOM 212 CA ARG A 14 3.454 9.107 7.930 1.00 0.00 C ATOM 213 C ARG A 14 2.132 8.929 8.653 1.00 0.00 C ATOM 214 O ARG A 14 2.000 9.289 9.819 1.00 0.00 O ATOM 215 CB ARG A 14 3.582 10.543 7.419 1.00 0.00 C ATOM 216 CG ARG A 14 5.017 10.967 7.147 1.00 0.00 C ATOM 217 CD ARG A 14 5.284 12.381 7.639 1.00 0.00 C ATOM 218 NE ARG A 14 5.178 12.485 9.093 1.00 0.00 N ATOM 219 CZ ARG A 14 5.300 13.628 9.765 1.00 0.00 C ATOM 220 NH1 ARG A 14 5.531 14.765 9.120 1.00 0.00 N ATOM 221 NH2 ARG A 14 5.190 13.634 11.086 1.00 0.00 N ATOM 0 H ARG A 14 3.645 8.579 5.912 1.00 0.00 H new ATOM 0 HA ARG A 14 4.268 8.916 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.001 10.647 6.502 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.144 11.221 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.701 10.275 7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.218 10.909 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.281 12.692 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.575 13.066 7.174 1.00 0.00 H new ATOM 0 HE ARG A 14 5.000 11.632 9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.616 14.767 8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.623 15.637 9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.012 12.763 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.283 14.509 11.602 1.00 0.00 H new ATOM 235 N LEU A 15 1.153 8.364 7.959 1.00 0.00 N ATOM 236 CA LEU A 15 -0.148 8.138 8.552 1.00 0.00 C ATOM 237 C LEU A 15 -0.088 7.005 9.557 1.00 0.00 C ATOM 238 O LEU A 15 -0.350 7.196 10.744 1.00 0.00 O ATOM 239 CB LEU A 15 -1.165 7.805 7.476 1.00 0.00 C ATOM 240 CG LEU A 15 -1.757 9.015 6.779 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.205 8.639 5.378 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.916 9.585 7.582 1.00 0.00 C ATOM 0 H LEU A 15 1.239 8.057 6.990 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.450 9.051 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.691 7.167 6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.973 7.227 7.923 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.990 9.786 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.629 9.514 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.349 8.279 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.959 7.854 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.326 10.452 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.692 8.827 7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.562 9.885 8.568 1.00 0.00 H new ATOM 254 N VAL A 16 0.255 5.819 9.074 1.00 0.00 N ATOM 255 CA VAL A 16 0.340 4.656 9.945 1.00 0.00 C ATOM 256 C VAL A 16 1.527 4.760 10.888 1.00 0.00 C ATOM 257 O VAL A 16 1.489 4.246 12.006 1.00 0.00 O ATOM 258 CB VAL A 16 0.442 3.352 9.133 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.935 2.192 9.992 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.899 3.019 8.509 1.00 0.00 C ATOM 0 H VAL A 16 0.477 5.638 8.095 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.578 4.632 10.533 1.00 0.00 H new ATOM 0 HB VAL A 16 1.174 3.507 8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.994 1.289 9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.922 2.427 10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.241 2.030 10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.815 2.095 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.644 2.893 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.203 3.829 7.846 1.00 0.00 H new ATOM 270 N GLN A 17 2.582 5.417 10.435 1.00 0.00 N ATOM 271 CA GLN A 17 3.771 5.564 11.253 1.00 0.00 C ATOM 272 C GLN A 17 3.530 6.538 12.405 1.00 0.00 C ATOM 273 O GLN A 17 4.259 6.521 13.396 1.00 0.00 O ATOM 274 CB GLN A 17 4.961 6.004 10.400 1.00 0.00 C ATOM 275 CG GLN A 17 5.387 4.962 9.369 1.00 0.00 C ATOM 276 CD GLN A 17 6.699 4.292 9.726 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.611 4.209 8.904 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.801 3.811 10.960 1.00 0.00 N ATOM 0 H GLN A 17 2.638 5.853 9.514 1.00 0.00 H new ATOM 0 HA GLN A 17 4.006 4.592 11.687 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.707 6.931 9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.805 6.224 11.053 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.608 4.204 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.480 5.439 8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.019 3.902 11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.661 3.351 11.259 1.00 0.00 H new ATOM 287 N GLN A 18 2.496 7.376 12.288 1.00 0.00 N ATOM 288 CA GLN A 18 2.182 8.325 13.354 1.00 0.00 C ATOM 289 C GLN A 18 0.711 8.740 13.326 1.00 0.00 C ATOM 290 O GLN A 18 0.393 9.929 13.362 1.00 0.00 O ATOM 291 CB GLN A 18 3.088 9.559 13.265 1.00 0.00 C ATOM 292 CG GLN A 18 2.780 10.472 12.091 1.00 0.00 C ATOM 293 CD GLN A 18 2.842 11.941 12.460 1.00 0.00 C ATOM 294 OE1 GLN A 18 3.691 12.361 13.247 1.00 0.00 O ATOM 295 NE2 GLN A 18 1.940 12.731 11.891 1.00 0.00 N ATOM 0 H GLN A 18 1.874 7.416 11.481 1.00 0.00 H new ATOM 0 HA GLN A 18 2.366 7.822 14.303 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.997 10.130 14.189 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.125 9.231 13.194 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.488 10.274 11.286 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.787 10.240 11.706 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.255 12.340 11.245 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.932 13.729 12.100 1.00 0.00 H new ATOM 304 N GLU A 19 -0.187 7.757 13.273 1.00 0.00 N ATOM 305 CA GLU A 19 -1.620 8.044 13.253 1.00 0.00 C ATOM 306 C GLU A 19 -2.455 6.768 13.222 1.00 0.00 C ATOM 307 O GLU A 19 -3.185 6.469 14.167 1.00 0.00 O ATOM 308 CB GLU A 19 -1.973 8.914 12.045 1.00 0.00 C ATOM 309 CG GLU A 19 -2.925 10.054 12.371 1.00 0.00 C ATOM 310 CD GLU A 19 -2.262 11.157 13.173 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.746 10.862 14.272 1.00 0.00 O ATOM 312 OE2 GLU A 19 -2.257 12.314 12.703 1.00 0.00 O ATOM 0 H GLU A 19 0.049 6.765 13.243 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.854 8.580 14.173 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.056 9.327 11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.422 8.286 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.318 10.470 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.775 9.664 12.931 1.00 0.00 H new ATOM 319 N SER A 20 -2.361 6.031 12.121 1.00 0.00 N ATOM 320 CA SER A 20 -3.126 4.801 11.957 1.00 0.00 C ATOM 321 C SER A 20 -2.510 3.647 12.749 1.00 0.00 C ATOM 322 O SER A 20 -2.962 3.326 13.848 1.00 0.00 O ATOM 323 CB SER A 20 -3.223 4.445 10.468 1.00 0.00 C ATOM 324 OG SER A 20 -4.372 5.032 9.881 1.00 0.00 O ATOM 0 H SER A 20 -1.762 6.264 11.329 1.00 0.00 H new ATOM 0 HA SER A 20 -4.128 4.967 12.352 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.329 4.789 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.263 3.362 10.351 1.00 0.00 H new ATOM 0 HG SER A 20 -4.404 5.985 10.107 1.00 0.00 H new ATOM 330 N GLY A 21 -1.484 3.025 12.182 1.00 0.00 N ATOM 331 CA GLY A 21 -0.827 1.909 12.840 1.00 0.00 C ATOM 332 C GLY A 21 -0.801 0.674 11.962 1.00 0.00 C ATOM 333 O GLY A 21 0.226 0.006 11.840 1.00 0.00 O ATOM 0 H GLY A 21 -1.093 3.274 11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.193 2.191 13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.344 1.681 13.772 1.00 0.00 H new ATOM 337 N ASP A 22 -1.940 0.379 11.347 1.00 0.00 N ATOM 338 CA ASP A 22 -2.072 -0.776 10.465 1.00 0.00 C ATOM 339 C ASP A 22 -3.494 -0.854 9.909 1.00 0.00 C ATOM 340 O ASP A 22 -4.023 -1.939 9.665 1.00 0.00 O ATOM 341 CB ASP A 22 -1.734 -2.061 11.220 1.00 0.00 C ATOM 342 CG ASP A 22 -0.744 -2.931 10.470 1.00 0.00 C ATOM 343 OD1 ASP A 22 0.467 -2.631 10.520 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.181 -3.911 9.831 1.00 0.00 O ATOM 0 H ASP A 22 -2.793 0.929 11.444 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.374 -0.663 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.323 -1.807 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.649 -2.626 11.397 1.00 0.00 H new ATOM 349 N CYS A 23 -4.101 0.311 9.723 1.00 0.00 N ATOM 350 CA CYS A 23 -5.462 0.414 9.208 1.00 0.00 C ATOM 351 C CYS A 23 -5.490 0.267 7.693 1.00 0.00 C ATOM 352 O CYS A 23 -4.530 -0.205 7.085 1.00 0.00 O ATOM 353 CB CYS A 23 -6.058 1.763 9.615 1.00 0.00 C ATOM 354 SG CYS A 23 -5.839 2.169 11.363 1.00 0.00 S ATOM 0 H CYS A 23 -3.665 1.211 9.924 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.056 -0.395 9.634 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.601 2.547 9.011 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.123 1.762 9.384 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.374 3.328 11.610 1.00 0.00 H new ATOM 360 N THR A 24 -6.599 0.680 7.091 1.00 0.00 N ATOM 361 CA THR A 24 -6.760 0.601 5.650 1.00 0.00 C ATOM 362 C THR A 24 -6.603 1.987 5.032 1.00 0.00 C ATOM 363 O THR A 24 -7.025 2.984 5.616 1.00 0.00 O ATOM 364 CB THR A 24 -8.129 0.017 5.317 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.356 -1.172 6.051 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.313 -0.311 3.852 1.00 0.00 C ATOM 0 H THR A 24 -7.401 1.074 7.583 1.00 0.00 H new ATOM 0 HA THR A 24 -5.991 -0.051 5.235 1.00 0.00 H new ATOM 0 HB THR A 24 -8.842 0.797 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.509 -0.951 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.310 -0.722 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.195 0.596 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.566 -1.044 3.547 1.00 0.00 H new ATOM 374 N GLY A 25 -5.975 2.051 3.863 1.00 0.00 N ATOM 375 CA GLY A 25 -5.759 3.330 3.214 1.00 0.00 C ATOM 376 C GLY A 25 -6.673 3.568 2.029 1.00 0.00 C ATOM 377 O GLY A 25 -6.927 2.663 1.235 1.00 0.00 O ATOM 0 H GLY A 25 -5.613 1.244 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.906 4.128 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.723 3.389 2.881 1.00 0.00 H new ATOM 381 N LYS A 26 -7.154 4.801 1.907 1.00 0.00 N ATOM 382 CA LYS A 26 -8.032 5.181 0.806 1.00 0.00 C ATOM 383 C LYS A 26 -7.296 6.132 -0.137 1.00 0.00 C ATOM 384 O LYS A 26 -6.614 7.050 0.315 1.00 0.00 O ATOM 385 CB LYS A 26 -9.313 5.829 1.352 1.00 0.00 C ATOM 386 CG LYS A 26 -9.205 7.326 1.581 1.00 0.00 C ATOM 387 CD LYS A 26 -9.639 8.110 0.353 1.00 0.00 C ATOM 388 CE LYS A 26 -10.439 9.345 0.733 1.00 0.00 C ATOM 389 NZ LYS A 26 -11.637 9.005 1.550 1.00 0.00 N ATOM 0 H LYS A 26 -6.949 5.557 2.560 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.316 4.290 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.129 5.637 0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.578 5.347 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.823 7.610 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.176 7.583 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.760 8.407 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.240 7.471 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.803 10.031 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.753 9.866 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.299 9.807 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.105 8.168 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.345 8.802 2.527 1.00 0.00 H new ATOM 403 N LEU A 27 -7.417 5.903 -1.442 1.00 0.00 N ATOM 404 CA LEU A 27 -6.732 6.744 -2.420 1.00 0.00 C ATOM 405 C LEU A 27 -7.687 7.707 -3.120 1.00 0.00 C ATOM 406 O LEU A 27 -8.900 7.505 -3.123 1.00 0.00 O ATOM 407 CB LEU A 27 -6.018 5.879 -3.458 1.00 0.00 C ATOM 408 CG LEU A 27 -4.964 6.613 -4.291 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.746 5.730 -4.512 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.552 7.057 -5.621 1.00 0.00 C ATOM 0 H LEU A 27 -7.976 5.151 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.000 7.340 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.539 5.044 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.763 5.456 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.648 7.500 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.008 6.270 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.311 5.462 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.044 4.824 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.789 7.577 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.897 6.184 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.392 7.728 -5.442 1.00 0.00 H new ATOM 422 N ARG A 28 -7.102 8.757 -3.707 1.00 0.00 N ATOM 423 CA ARG A 28 -7.837 9.801 -4.432 1.00 0.00 C ATOM 424 C ARG A 28 -6.979 11.062 -4.503 1.00 0.00 C ATOM 425 O ARG A 28 -7.386 12.132 -4.050 1.00 0.00 O ATOM 426 CB ARG A 28 -9.180 10.121 -3.750 1.00 0.00 C ATOM 427 CG ARG A 28 -10.398 9.819 -4.613 1.00 0.00 C ATOM 428 CD ARG A 28 -10.317 8.439 -5.246 1.00 0.00 C ATOM 429 NE ARG A 28 -11.301 7.518 -4.683 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.617 7.671 -4.810 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.111 8.705 -5.479 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.442 6.786 -4.267 1.00 0.00 N ATOM 0 H ARG A 28 -6.093 8.908 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.052 9.437 -5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.252 9.549 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.194 11.176 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.300 9.887 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.484 10.573 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.474 8.524 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.316 8.032 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.960 6.710 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.481 9.388 -5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.121 8.817 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.068 5.989 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.451 6.903 -4.364 1.00 0.00 H new ATOM 446 N GLY A 29 -5.763 10.920 -5.032 1.00 0.00 N ATOM 447 CA GLY A 29 -4.855 12.049 -5.094 1.00 0.00 C ATOM 448 C GLY A 29 -4.244 12.319 -3.732 1.00 0.00 C ATOM 449 O GLY A 29 -3.486 13.273 -3.550 1.00 0.00 O ATOM 0 H GLY A 29 -5.396 10.049 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.066 11.849 -5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.389 12.934 -5.441 1.00 0.00 H new ATOM 453 N ASN A 30 -4.597 11.461 -2.774 1.00 0.00 N ATOM 454 CA ASN A 30 -4.123 11.550 -1.404 1.00 0.00 C ATOM 455 C ASN A 30 -4.444 10.236 -0.690 1.00 0.00 C ATOM 456 O ASN A 30 -5.254 9.449 -1.181 1.00 0.00 O ATOM 457 CB ASN A 30 -4.785 12.746 -0.698 1.00 0.00 C ATOM 458 CG ASN A 30 -5.375 12.399 0.658 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.381 11.531 0.661 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.934 12.905 1.689 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.229 10.677 -2.936 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.045 11.710 -1.384 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.046 13.538 -0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.573 13.144 -1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.160 13.567 1.641 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.343 12.662 2.592 1.00 0.00 H new ATOM 467 N VAL A 31 -3.839 10.002 0.468 1.00 0.00 N ATOM 468 CA VAL A 31 -4.119 8.779 1.214 1.00 0.00 C ATOM 469 C VAL A 31 -4.766 9.089 2.557 1.00 0.00 C ATOM 470 O VAL A 31 -4.270 9.904 3.335 1.00 0.00 O ATOM 471 CB VAL A 31 -2.861 7.911 1.428 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.675 8.756 1.858 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.130 6.800 2.438 1.00 0.00 C ATOM 0 H VAL A 31 -3.164 10.629 0.906 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.816 8.205 0.604 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.612 7.449 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.805 8.116 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.458 9.497 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.910 9.263 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.228 6.203 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.419 7.239 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.936 6.163 2.073 1.00 0.00 H new ATOM 483 N ALA A 32 -5.880 8.418 2.812 1.00 0.00 N ATOM 484 CA ALA A 32 -6.625 8.589 4.053 1.00 0.00 C ATOM 485 C ALA A 32 -6.619 7.296 4.859 1.00 0.00 C ATOM 486 O ALA A 32 -6.266 6.238 4.338 1.00 0.00 O ATOM 487 CB ALA A 32 -8.052 9.031 3.762 1.00 0.00 C ATOM 0 H ALA A 32 -6.292 7.742 2.168 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.139 9.366 4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.593 9.154 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.037 9.979 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.549 8.277 3.152 1.00 0.00 H new ATOM 493 N ALA A 33 -7.000 7.382 6.130 1.00 0.00 N ATOM 494 CA ALA A 33 -7.016 6.207 6.991 1.00 0.00 C ATOM 495 C ALA A 33 -8.431 5.687 7.215 1.00 0.00 C ATOM 496 O ALA A 33 -9.369 6.458 7.419 1.00 0.00 O ATOM 497 CB ALA A 33 -6.355 6.523 8.323 1.00 0.00 C ATOM 0 H ALA A 33 -7.299 8.246 6.582 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.453 5.422 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.373 5.637 8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.322 6.827 8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.895 7.332 8.814 1.00 0.00 H new ATOM 503 N ASN A 34 -8.566 4.365 7.169 1.00 0.00 N ATOM 504 CA ASN A 34 -9.851 3.705 7.361 1.00 0.00 C ATOM 505 C ASN A 34 -9.773 2.721 8.527 1.00 0.00 C ATOM 506 O ASN A 34 -9.062 1.718 8.457 1.00 0.00 O ATOM 507 CB ASN A 34 -10.258 2.980 6.069 1.00 0.00 C ATOM 508 CG ASN A 34 -11.200 1.812 6.305 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.007 1.826 7.235 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.101 0.793 5.458 1.00 0.00 N ATOM 0 H ASN A 34 -7.791 3.724 6.998 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.606 4.455 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.736 3.692 5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.361 2.618 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.708 -0.020 5.565 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.418 0.823 4.701 1.00 0.00 H new ATOM 517 N LYS A 35 -10.509 3.016 9.596 1.00 0.00 N ATOM 518 CA LYS A 35 -10.522 2.157 10.776 1.00 0.00 C ATOM 519 C LYS A 35 -11.878 1.479 10.952 1.00 0.00 C ATOM 520 O LYS A 35 -11.977 0.428 11.585 1.00 0.00 O ATOM 521 CB LYS A 35 -10.170 2.955 12.038 1.00 0.00 C ATOM 522 CG LYS A 35 -10.635 4.405 12.011 1.00 0.00 C ATOM 523 CD LYS A 35 -12.140 4.516 12.210 1.00 0.00 C ATOM 524 CE LYS A 35 -12.786 5.365 11.126 1.00 0.00 C ATOM 525 NZ LYS A 35 -12.197 6.731 11.065 1.00 0.00 N ATOM 0 H LYS A 35 -11.103 3.842 9.669 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.767 1.385 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.612 2.460 12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.089 2.935 12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.122 4.967 12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.359 4.858 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.583 3.520 12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.347 4.952 13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.665 4.874 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.857 5.440 11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.884 7.386 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.962 7.051 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.333 6.711 10.486 1.00 0.00 H new ATOM 539 N GLU A 36 -12.924 2.081 10.387 1.00 0.00 N ATOM 540 CA GLU A 36 -14.269 1.522 10.487 1.00 0.00 C ATOM 541 C GLU A 36 -14.275 0.051 10.078 1.00 0.00 C ATOM 542 O GLU A 36 -14.870 -0.790 10.752 1.00 0.00 O ATOM 543 CB GLU A 36 -15.240 2.313 9.608 1.00 0.00 C ATOM 544 CG GLU A 36 -16.562 2.624 10.291 1.00 0.00 C ATOM 545 CD GLU A 36 -16.699 4.088 10.662 1.00 0.00 C ATOM 546 OE1 GLU A 36 -16.589 4.942 9.758 1.00 0.00 O ATOM 547 OE2 GLU A 36 -16.916 4.380 11.857 1.00 0.00 O ATOM 0 H GLU A 36 -12.865 2.951 9.858 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.591 1.595 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.767 3.248 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.435 1.748 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.382 2.342 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.654 2.015 11.191 1.00 0.00 H new ATOM 554 N THR A 37 -13.599 -0.249 8.974 1.00 0.00 N ATOM 555 CA THR A 37 -13.510 -1.616 8.475 1.00 0.00 C ATOM 556 C THR A 37 -12.053 -1.995 8.230 1.00 0.00 C ATOM 557 O THR A 37 -11.147 -1.394 8.807 1.00 0.00 O ATOM 558 CB THR A 37 -14.339 -1.777 7.197 1.00 0.00 C ATOM 559 OG1 THR A 37 -14.332 -3.125 6.761 1.00 0.00 O ATOM 560 CG2 THR A 37 -13.847 -0.923 6.052 1.00 0.00 C ATOM 0 H THR A 37 -13.103 0.439 8.407 1.00 0.00 H new ATOM 0 HA THR A 37 -13.917 -2.290 9.228 1.00 0.00 H new ATOM 0 HB THR A 37 -15.345 -1.453 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.868 -3.208 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.479 -1.086 5.179 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.888 0.128 6.338 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.819 -1.194 5.812 1.00 0.00 H new ATOM 568 N THR A 38 -11.825 -2.992 7.384 1.00 0.00 N ATOM 569 CA THR A 38 -10.468 -3.433 7.089 1.00 0.00 C ATOM 570 C THR A 38 -10.396 -4.102 5.727 1.00 0.00 C ATOM 571 O THR A 38 -10.766 -5.265 5.573 1.00 0.00 O ATOM 572 CB THR A 38 -9.976 -4.395 8.168 1.00 0.00 C ATOM 573 OG1 THR A 38 -10.922 -5.426 8.392 1.00 0.00 O ATOM 574 CG2 THR A 38 -9.708 -3.717 9.495 1.00 0.00 C ATOM 0 H THR A 38 -12.556 -3.507 6.894 1.00 0.00 H new ATOM 0 HA THR A 38 -9.824 -2.553 7.075 1.00 0.00 H new ATOM 0 HB THR A 38 -9.037 -4.799 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.227 -5.783 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.361 -4.456 10.218 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.944 -2.951 9.364 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.626 -3.256 9.860 1.00 0.00 H new ATOM 582 N PHE A 39 -9.919 -3.358 4.740 1.00 0.00 N ATOM 583 CA PHE A 39 -9.801 -3.884 3.388 1.00 0.00 C ATOM 584 C PHE A 39 -8.485 -4.622 3.178 1.00 0.00 C ATOM 585 O PHE A 39 -7.409 -4.132 3.515 1.00 0.00 O ATOM 586 CB PHE A 39 -9.948 -2.780 2.356 1.00 0.00 C ATOM 587 CG PHE A 39 -11.149 -1.898 2.586 1.00 0.00 C ATOM 588 CD1 PHE A 39 -12.369 -2.452 2.940 1.00 0.00 C ATOM 589 CD2 PHE A 39 -11.060 -0.521 2.450 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.475 -1.651 3.154 1.00 0.00 C ATOM 591 CE2 PHE A 39 -12.163 0.284 2.663 1.00 0.00 C ATOM 592 CZ PHE A 39 -13.371 -0.282 3.016 1.00 0.00 C ATOM 0 H PHE A 39 -9.609 -2.392 4.849 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.613 -4.599 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.048 -2.165 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.020 -3.227 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.457 -3.523 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.117 -0.072 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.420 -2.096 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.080 1.355 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.234 0.346 3.184 1.00 0.00 H new ATOM 602 N GLN A 40 -8.606 -5.806 2.608 1.00 0.00 N ATOM 603 CA GLN A 40 -7.470 -6.671 2.313 1.00 0.00 C ATOM 604 C GLN A 40 -7.861 -7.694 1.247 1.00 0.00 C ATOM 605 O GLN A 40 -8.201 -8.835 1.559 1.00 0.00 O ATOM 606 CB GLN A 40 -6.992 -7.389 3.581 1.00 0.00 C ATOM 607 CG GLN A 40 -8.093 -7.638 4.603 1.00 0.00 C ATOM 608 CD GLN A 40 -9.238 -8.459 4.042 1.00 0.00 C ATOM 609 OE1 GLN A 40 -9.112 -9.667 3.845 1.00 0.00 O ATOM 610 NE2 GLN A 40 -10.365 -7.805 3.782 1.00 0.00 N ATOM 0 H GLN A 40 -9.504 -6.202 2.332 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.652 -6.056 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.548 -8.344 3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.205 -6.796 4.047 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.672 -8.152 5.467 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.477 -6.681 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.426 -6.803 3.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.169 -8.305 3.404 1.00 0.00 H new ATOM 619 N GLY A 41 -7.815 -7.269 -0.012 1.00 0.00 N ATOM 620 CA GLY A 41 -8.170 -8.146 -1.117 1.00 0.00 C ATOM 621 C GLY A 41 -9.657 -8.479 -1.165 1.00 0.00 C ATOM 622 O GLY A 41 -10.132 -9.339 -0.423 1.00 0.00 O ATOM 0 H GLY A 41 -7.537 -6.328 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.880 -7.673 -2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.599 -9.071 -1.036 1.00 0.00 H new ATOM 626 N LEU A 42 -10.385 -7.805 -2.057 1.00 0.00 N ATOM 627 CA LEU A 42 -11.821 -8.036 -2.226 1.00 0.00 C ATOM 628 C LEU A 42 -12.283 -7.529 -3.600 1.00 0.00 C ATOM 629 O LEU A 42 -11.545 -7.640 -4.579 1.00 0.00 O ATOM 630 CB LEU A 42 -12.605 -7.372 -1.094 1.00 0.00 C ATOM 631 CG LEU A 42 -13.773 -8.190 -0.530 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.625 -8.788 -1.640 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.258 -9.284 0.394 1.00 0.00 C ATOM 0 H LEU A 42 -10.001 -7.091 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.015 -9.108 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.915 -7.148 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.992 -6.419 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.406 -7.513 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.443 -9.361 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -15.032 -7.987 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.011 -9.445 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.100 -9.855 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.596 -9.948 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.709 -8.833 1.221 1.00 0.00 H new ATOM 645 N THR A 43 -13.496 -6.983 -3.692 1.00 0.00 N ATOM 646 CA THR A 43 -13.994 -6.493 -4.973 1.00 0.00 C ATOM 647 C THR A 43 -15.174 -5.536 -4.803 1.00 0.00 C ATOM 648 O THR A 43 -15.955 -5.338 -5.733 1.00 0.00 O ATOM 649 CB THR A 43 -14.407 -7.672 -5.857 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.905 -8.892 -5.337 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.920 -7.549 -7.284 1.00 0.00 C ATOM 0 H THR A 43 -14.140 -6.871 -2.909 1.00 0.00 H new ATOM 0 HA THR A 43 -13.185 -5.938 -5.448 1.00 0.00 H new ATOM 0 HB THR A 43 -15.497 -7.662 -5.858 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.182 -9.633 -5.916 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.247 -8.417 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.330 -6.644 -7.732 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.831 -7.497 -7.294 1.00 0.00 H new ATOM 659 N ILE A 44 -15.297 -4.936 -3.622 1.00 0.00 N ATOM 660 CA ILE A 44 -16.382 -3.994 -3.354 1.00 0.00 C ATOM 661 C ILE A 44 -17.753 -4.671 -3.354 1.00 0.00 C ATOM 662 O ILE A 44 -18.779 -4.002 -3.229 1.00 0.00 O ATOM 663 CB ILE A 44 -16.399 -2.864 -4.397 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.991 -2.293 -4.594 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.371 -1.769 -3.979 1.00 0.00 C ATOM 666 CD1 ILE A 44 -14.426 -2.542 -5.976 1.00 0.00 C ATOM 0 H ILE A 44 -14.662 -5.084 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.191 -3.588 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.736 -3.276 -5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.014 -1.219 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.323 -2.731 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.371 -0.977 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.374 -2.187 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.065 -1.358 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.427 -2.111 -6.044 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.371 -3.615 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.072 -2.080 -6.722 1.00 0.00 H new ATOM 678 N ALA A 45 -17.775 -5.992 -3.498 1.00 0.00 N ATOM 679 CA ALA A 45 -19.029 -6.735 -3.516 1.00 0.00 C ATOM 680 C ALA A 45 -19.474 -7.099 -2.104 1.00 0.00 C ATOM 681 O ALA A 45 -20.575 -6.751 -1.679 1.00 0.00 O ATOM 682 CB ALA A 45 -18.887 -7.989 -4.365 1.00 0.00 C ATOM 0 H ALA A 45 -16.940 -6.569 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.794 -6.095 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.831 -8.534 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.624 -7.710 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.104 -8.623 -3.949 1.00 0.00 H new ATOM 688 N SER A 46 -18.609 -7.805 -1.384 1.00 0.00 N ATOM 689 CA SER A 46 -18.912 -8.221 -0.019 1.00 0.00 C ATOM 690 C SER A 46 -19.125 -7.012 0.886 1.00 0.00 C ATOM 691 O SER A 46 -20.192 -6.845 1.475 1.00 0.00 O ATOM 692 CB SER A 46 -17.785 -9.096 0.534 1.00 0.00 C ATOM 693 OG SER A 46 -16.652 -8.316 0.874 1.00 0.00 O ATOM 0 H SER A 46 -17.693 -8.101 -1.722 1.00 0.00 H new ATOM 0 HA SER A 46 -19.834 -8.801 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 46 -18.137 -9.634 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.505 -9.845 -0.207 1.00 0.00 H new ATOM 0 HG SER A 46 -16.012 -8.868 1.370 1.00 0.00 H new ATOM 699 N GLY A 47 -18.101 -6.172 0.991 1.00 0.00 N ATOM 700 CA GLY A 47 -18.193 -4.989 1.825 1.00 0.00 C ATOM 701 C GLY A 47 -16.921 -4.167 1.800 1.00 0.00 C ATOM 702 O GLY A 47 -16.128 -4.208 2.742 1.00 0.00 O ATOM 0 H GLY A 47 -17.208 -6.290 0.513 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.027 -4.374 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.410 -5.286 2.851 1.00 0.00 H new ATOM 706 N ALA A 48 -16.721 -3.422 0.718 1.00 0.00 N ATOM 707 CA ALA A 48 -15.534 -2.591 0.573 1.00 0.00 C ATOM 708 C ALA A 48 -15.885 -1.226 -0.024 1.00 0.00 C ATOM 709 O ALA A 48 -17.034 -0.789 0.046 1.00 0.00 O ATOM 710 CB ALA A 48 -14.503 -3.307 -0.285 1.00 0.00 C ATOM 0 H ALA A 48 -17.366 -3.377 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.110 -2.418 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.618 -2.680 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.227 -4.249 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.925 -3.506 -1.270 1.00 0.00 H new ATOM 716 N ARG A 49 -14.892 -0.553 -0.609 1.00 0.00 N ATOM 717 CA ARG A 49 -15.111 0.762 -1.209 1.00 0.00 C ATOM 718 C ARG A 49 -14.333 0.911 -2.517 1.00 0.00 C ATOM 719 O ARG A 49 -13.719 -0.040 -2.998 1.00 0.00 O ATOM 720 CB ARG A 49 -14.704 1.863 -0.228 1.00 0.00 C ATOM 721 CG ARG A 49 -15.608 1.953 0.991 1.00 0.00 C ATOM 722 CD ARG A 49 -15.962 3.395 1.320 1.00 0.00 C ATOM 723 NE ARG A 49 -15.046 3.974 2.300 1.00 0.00 N ATOM 724 CZ ARG A 49 -15.095 5.241 2.703 1.00 0.00 C ATOM 725 NH1 ARG A 49 -16.014 6.066 2.213 1.00 0.00 N ATOM 726 NH2 ARG A 49 -14.224 5.686 3.598 1.00 0.00 N ATOM 0 H ARG A 49 -13.934 -0.896 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.173 0.857 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.680 1.685 0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.710 2.822 -0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.521 1.386 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.112 1.495 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.940 3.991 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.981 3.439 1.706 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.326 3.371 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.687 5.729 1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.047 7.036 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.516 5.057 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.261 6.657 3.907 1.00 0.00 H new ATOM 740 N GLU A 50 -14.369 2.110 -3.093 1.00 0.00 N ATOM 741 CA GLU A 50 -13.670 2.379 -4.347 1.00 0.00 C ATOM 742 C GLU A 50 -12.212 2.754 -4.097 1.00 0.00 C ATOM 743 O GLU A 50 -11.337 2.481 -4.920 1.00 0.00 O ATOM 744 CB GLU A 50 -14.372 3.503 -5.114 1.00 0.00 C ATOM 745 CG GLU A 50 -14.079 3.497 -6.606 1.00 0.00 C ATOM 746 CD GLU A 50 -14.896 4.524 -7.365 1.00 0.00 C ATOM 747 OE1 GLU A 50 -14.673 5.735 -7.153 1.00 0.00 O ATOM 748 OE2 GLU A 50 -15.760 4.118 -8.170 1.00 0.00 O ATOM 0 H GLU A 50 -14.874 2.910 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.691 1.467 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.448 3.417 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.067 4.462 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.019 3.692 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.284 2.505 -7.009 1.00 0.00 H new ATOM 755 N SER A 51 -11.955 3.382 -2.956 1.00 0.00 N ATOM 756 CA SER A 51 -10.602 3.792 -2.603 1.00 0.00 C ATOM 757 C SER A 51 -9.667 2.588 -2.548 1.00 0.00 C ATOM 758 O SER A 51 -8.741 2.480 -3.348 1.00 0.00 O ATOM 759 CB SER A 51 -10.604 4.515 -1.258 1.00 0.00 C ATOM 760 OG SER A 51 -11.923 4.842 -0.853 1.00 0.00 O ATOM 0 H SER A 51 -12.664 3.618 -2.261 1.00 0.00 H new ATOM 0 HA SER A 51 -10.240 4.474 -3.373 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.135 3.885 -0.503 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.007 5.424 -1.330 1.00 0.00 H new ATOM 0 HG SER A 51 -12.016 4.690 0.111 1.00 0.00 H new ATOM 766 N GLU A 52 -9.920 1.688 -1.596 1.00 0.00 N ATOM 767 CA GLU A 52 -9.104 0.479 -1.425 1.00 0.00 C ATOM 768 C GLU A 52 -8.625 -0.072 -2.766 1.00 0.00 C ATOM 769 O GLU A 52 -7.429 -0.082 -3.055 1.00 0.00 O ATOM 770 CB GLU A 52 -9.896 -0.608 -0.685 1.00 0.00 C ATOM 771 CG GLU A 52 -11.384 -0.646 -1.020 1.00 0.00 C ATOM 772 CD GLU A 52 -11.754 -1.808 -1.924 1.00 0.00 C ATOM 773 OE1 GLU A 52 -10.837 -2.425 -2.503 1.00 0.00 O ATOM 774 OE2 GLU A 52 -12.958 -2.096 -2.060 1.00 0.00 O ATOM 0 H GLU A 52 -10.686 1.772 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.232 0.762 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.459 -1.579 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.782 -0.456 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.958 -0.713 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.667 0.289 -1.504 1.00 0.00 H new ATOM 781 N LYS A 53 -9.571 -0.525 -3.580 1.00 0.00 N ATOM 782 CA LYS A 53 -9.258 -1.077 -4.897 1.00 0.00 C ATOM 783 C LYS A 53 -8.371 -0.118 -5.681 1.00 0.00 C ATOM 784 O LYS A 53 -7.310 -0.504 -6.171 1.00 0.00 O ATOM 785 CB LYS A 53 -10.535 -1.373 -5.691 1.00 0.00 C ATOM 786 CG LYS A 53 -11.688 -0.427 -5.374 1.00 0.00 C ATOM 787 CD LYS A 53 -12.446 0.081 -6.609 1.00 0.00 C ATOM 788 CE LYS A 53 -12.110 -0.673 -7.892 1.00 0.00 C ATOM 789 NZ LYS A 53 -10.888 -0.129 -8.551 1.00 0.00 N ATOM 0 H LYS A 53 -10.565 -0.522 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.722 -2.014 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.311 -1.315 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.850 -2.396 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.391 -0.937 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.299 0.429 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.517 0.004 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.223 1.138 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.961 -1.729 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.952 -0.611 -8.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.144 0.283 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.466 0.606 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.200 -0.896 -8.695 1.00 0.00 H new ATOM 803 N VAL A 54 -8.799 1.140 -5.784 1.00 0.00 N ATOM 804 CA VAL A 54 -8.017 2.143 -6.496 1.00 0.00 C ATOM 805 C VAL A 54 -6.613 2.223 -5.906 1.00 0.00 C ATOM 806 O VAL A 54 -5.634 2.428 -6.624 1.00 0.00 O ATOM 807 CB VAL A 54 -8.684 3.534 -6.430 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.806 4.590 -7.089 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.058 3.498 -7.082 1.00 0.00 C ATOM 0 H VAL A 54 -9.674 1.484 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.962 1.841 -7.542 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.806 3.802 -5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.298 5.561 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.846 4.637 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.645 4.328 -8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.513 4.487 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.957 3.203 -8.127 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.689 2.778 -6.561 1.00 0.00 H new ATOM 819 N PHE A 55 -6.529 2.041 -4.591 1.00 0.00 N ATOM 820 CA PHE A 55 -5.254 2.074 -3.889 1.00 0.00 C ATOM 821 C PHE A 55 -4.428 0.841 -4.230 1.00 0.00 C ATOM 822 O PHE A 55 -3.234 0.941 -4.513 1.00 0.00 O ATOM 823 CB PHE A 55 -5.481 2.150 -2.378 1.00 0.00 C ATOM 824 CG PHE A 55 -4.460 2.986 -1.659 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.107 2.804 -1.895 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.854 3.953 -0.748 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.165 3.572 -1.237 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.917 4.723 -0.086 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.571 4.532 -0.330 1.00 0.00 C ATOM 0 H PHE A 55 -7.334 1.868 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.708 2.962 -4.208 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.473 2.560 -2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.468 1.141 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.785 2.053 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.905 4.106 -0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.113 3.422 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.237 5.474 0.622 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.837 5.132 0.187 1.00 0.00 H new ATOM 839 N ALA A 56 -5.074 -0.324 -4.212 1.00 0.00 N ATOM 840 CA ALA A 56 -4.398 -1.575 -4.531 1.00 0.00 C ATOM 841 C ALA A 56 -3.876 -1.546 -5.959 1.00 0.00 C ATOM 842 O ALA A 56 -2.725 -1.897 -6.219 1.00 0.00 O ATOM 843 CB ALA A 56 -5.333 -2.761 -4.333 1.00 0.00 C ATOM 0 H ALA A 56 -6.062 -0.425 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.553 -1.689 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.807 -3.684 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.663 -2.795 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.200 -2.654 -4.985 1.00 0.00 H new ATOM 849 N GLN A 57 -4.729 -1.118 -6.883 1.00 0.00 N ATOM 850 CA GLN A 57 -4.349 -1.035 -8.286 1.00 0.00 C ATOM 851 C GLN A 57 -3.211 -0.037 -8.477 1.00 0.00 C ATOM 852 O GLN A 57 -2.249 -0.305 -9.200 1.00 0.00 O ATOM 853 CB GLN A 57 -5.552 -0.627 -9.138 1.00 0.00 C ATOM 854 CG GLN A 57 -6.652 -1.675 -9.178 1.00 0.00 C ATOM 855 CD GLN A 57 -6.550 -2.581 -10.389 1.00 0.00 C ATOM 856 OE1 GLN A 57 -6.508 -2.114 -11.527 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.509 -3.887 -10.149 1.00 0.00 N ATOM 0 H GLN A 57 -5.686 -0.824 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.006 -2.019 -8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.963 0.305 -8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.215 -0.427 -10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.606 -2.279 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.622 -1.178 -9.181 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.546 -4.231 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.440 -4.546 -10.924 1.00 0.00 H new ATOM 866 N THR A 58 -3.327 1.113 -7.820 1.00 0.00 N ATOM 867 CA THR A 58 -2.309 2.152 -7.916 1.00 0.00 C ATOM 868 C THR A 58 -0.987 1.675 -7.327 1.00 0.00 C ATOM 869 O THR A 58 0.041 1.683 -8.006 1.00 0.00 O ATOM 870 CB THR A 58 -2.768 3.424 -7.203 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.301 3.119 -5.927 1.00 0.00 O ATOM 872 CG2 THR A 58 -3.819 4.195 -7.974 1.00 0.00 C ATOM 0 H THR A 58 -4.115 1.348 -7.216 1.00 0.00 H new ATOM 0 HA THR A 58 -2.158 2.375 -8.972 1.00 0.00 H new ATOM 0 HB THR A 58 -1.877 4.047 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.278 3.075 -5.983 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.101 5.086 -7.413 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.417 4.489 -8.943 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.697 3.566 -8.121 1.00 0.00 H new ATOM 880 N VAL A 59 -1.011 1.256 -6.063 1.00 0.00 N ATOM 881 CA VAL A 59 0.202 0.780 -5.415 1.00 0.00 C ATOM 882 C VAL A 59 0.766 -0.426 -6.154 1.00 0.00 C ATOM 883 O VAL A 59 1.970 -0.505 -6.395 1.00 0.00 O ATOM 884 CB VAL A 59 -0.013 0.419 -3.929 1.00 0.00 C ATOM 885 CG1 VAL A 59 -1.009 -0.715 -3.763 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.311 0.047 -3.290 1.00 0.00 C ATOM 0 H VAL A 59 -1.846 1.237 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 59 0.913 1.605 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.425 1.296 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.132 -0.939 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.969 -0.420 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.641 -1.601 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.151 -0.206 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.737 -0.811 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.998 0.891 -3.358 1.00 0.00 H new ATOM 896 N LEU A 60 -0.105 -1.359 -6.528 1.00 0.00 N ATOM 897 CA LEU A 60 0.332 -2.542 -7.253 1.00 0.00 C ATOM 898 C LEU A 60 1.079 -2.138 -8.520 1.00 0.00 C ATOM 899 O LEU A 60 2.117 -2.711 -8.852 1.00 0.00 O ATOM 900 CB LEU A 60 -0.862 -3.425 -7.610 1.00 0.00 C ATOM 901 CG LEU A 60 -0.514 -4.661 -8.437 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.262 -5.855 -7.531 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.621 -4.967 -9.435 1.00 0.00 C ATOM 0 H LEU A 60 -1.107 -1.318 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 60 1.005 -3.110 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.348 -3.746 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.587 -2.827 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 60 0.400 -4.456 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.016 -6.726 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.568 -5.634 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.157 -6.062 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.354 -5.851 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.553 -5.151 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.750 -4.118 -10.107 1.00 0.00 H new ATOM 915 N SER A 61 0.543 -1.142 -9.220 1.00 0.00 N ATOM 916 CA SER A 61 1.159 -0.653 -10.447 1.00 0.00 C ATOM 917 C SER A 61 2.551 -0.095 -10.170 1.00 0.00 C ATOM 918 O SER A 61 3.540 -0.565 -10.731 1.00 0.00 O ATOM 919 CB SER A 61 0.286 0.424 -11.088 1.00 0.00 C ATOM 920 OG SER A 61 -0.988 -0.089 -11.434 1.00 0.00 O ATOM 0 H SER A 61 -0.316 -0.659 -8.958 1.00 0.00 H new ATOM 0 HA SER A 61 1.252 -1.492 -11.136 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.169 1.260 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.779 0.813 -11.979 1.00 0.00 H new ATOM 0 HG SER A 61 -1.423 -0.452 -10.634 1.00 0.00 H new ATOM 926 N HIS A 62 2.622 0.908 -9.297 1.00 0.00 N ATOM 927 CA HIS A 62 3.897 1.522 -8.944 1.00 0.00 C ATOM 928 C HIS A 62 4.874 0.464 -8.448 1.00 0.00 C ATOM 929 O HIS A 62 6.082 0.563 -8.662 1.00 0.00 O ATOM 930 CB HIS A 62 3.693 2.591 -7.869 1.00 0.00 C ATOM 931 CG HIS A 62 3.132 3.874 -8.399 1.00 0.00 C ATOM 932 ND1 HIS A 62 3.421 4.361 -9.656 1.00 0.00 N ATOM 933 CD2 HIS A 62 2.293 4.774 -7.834 1.00 0.00 C ATOM 934 CE1 HIS A 62 2.786 5.504 -9.841 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.094 5.777 -8.750 1.00 0.00 N ATOM 0 H HIS A 62 1.813 1.311 -8.823 1.00 0.00 H new ATOM 0 HA HIS A 62 4.312 1.994 -9.835 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.024 2.201 -7.103 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.648 2.794 -7.385 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.031 3.909 -10.337 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.861 4.714 -6.846 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.826 6.112 -10.733 1.00 0.00 H new ATOM 944 N VAL A 63 4.332 -0.556 -7.794 1.00 0.00 N ATOM 945 CA VAL A 63 5.137 -1.650 -7.272 1.00 0.00 C ATOM 946 C VAL A 63 5.062 -2.852 -8.204 1.00 0.00 C ATOM 947 O VAL A 63 4.633 -3.936 -7.809 1.00 0.00 O ATOM 948 CB VAL A 63 4.675 -2.075 -5.872 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.732 -2.910 -5.174 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.293 -0.867 -5.028 1.00 0.00 C ATOM 0 H VAL A 63 3.332 -0.647 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 63 6.165 -1.292 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 63 3.786 -2.694 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.375 -3.196 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.933 -3.807 -5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.648 -2.328 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.970 -1.200 -4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.155 -0.208 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.480 -0.327 -5.513 1.00 0.00 H new ATOM 960 N ALA A 64 5.474 -2.649 -9.449 1.00 0.00 N ATOM 961 CA ALA A 64 5.446 -3.710 -10.446 1.00 0.00 C ATOM 962 C ALA A 64 6.682 -4.606 -10.350 1.00 0.00 C ATOM 963 O ALA A 64 7.174 -5.094 -11.367 1.00 0.00 O ATOM 964 CB ALA A 64 5.338 -3.112 -11.840 1.00 0.00 C ATOM 0 H ALA A 64 5.832 -1.758 -9.792 1.00 0.00 H new ATOM 0 HA ALA A 64 4.571 -4.330 -10.250 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.318 -3.913 -12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.422 -2.526 -11.915 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.197 -2.468 -12.027 1.00 0.00 H new ATOM 970 N ASN A 65 7.173 -4.817 -9.122 1.00 0.00 N ATOM 971 CA ASN A 65 8.353 -5.652 -8.869 1.00 0.00 C ATOM 972 C ASN A 65 9.047 -5.216 -7.578 1.00 0.00 C ATOM 973 O ASN A 65 9.146 -5.984 -6.625 1.00 0.00 O ATOM 974 CB ASN A 65 9.350 -5.585 -10.037 1.00 0.00 C ATOM 975 CG ASN A 65 10.706 -6.174 -9.691 1.00 0.00 C ATOM 976 OD1 ASN A 65 11.502 -5.556 -8.984 1.00 0.00 O ATOM 977 ND2 ASN A 65 10.974 -7.376 -10.189 1.00 0.00 N ATOM 0 H ASN A 65 6.764 -4.415 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 65 8.011 -6.682 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.936 -6.118 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.478 -4.546 -10.340 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.869 -7.823 -9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.285 -7.852 -10.771 1.00 0.00 H new ATOM 984 N VAL A 66 9.517 -3.971 -7.561 1.00 0.00 N ATOM 985 CA VAL A 66 10.203 -3.405 -6.398 1.00 0.00 C ATOM 986 C VAL A 66 11.157 -4.403 -5.737 1.00 0.00 C ATOM 987 O VAL A 66 11.533 -5.407 -6.343 1.00 0.00 O ATOM 988 CB VAL A 66 9.189 -2.890 -5.373 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.270 -1.893 -6.044 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.413 -4.044 -4.756 1.00 0.00 C ATOM 0 H VAL A 66 9.435 -3.327 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 66 10.805 -2.572 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 66 9.713 -2.389 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.545 -1.522 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.857 -1.059 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.745 -2.378 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.698 -3.655 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.879 -4.583 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.105 -4.722 -4.256 1.00 0.00 H new ATOM 1000 N VAL A 67 11.567 -4.111 -4.502 1.00 0.00 N ATOM 1001 CA VAL A 67 12.483 -4.956 -3.787 1.00 0.00 C ATOM 1002 C VAL A 67 12.219 -4.907 -2.287 1.00 0.00 C ATOM 1003 O VAL A 67 12.961 -4.276 -1.534 1.00 0.00 O ATOM 1004 CB VAL A 67 13.915 -4.506 -4.043 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.293 -4.689 -5.504 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.123 -3.071 -3.590 1.00 0.00 C ATOM 0 H VAL A 67 11.267 -3.284 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 67 12.339 -5.976 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 67 14.578 -5.138 -3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.321 -4.360 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.205 -5.741 -5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.625 -4.097 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.154 -2.774 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.447 -2.415 -4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.918 -2.993 -2.522 1.00 0.00 H new ATOM 1016 N LEU A 68 11.162 -5.569 -1.854 1.00 0.00 N ATOM 1017 CA LEU A 68 10.818 -5.585 -0.444 1.00 0.00 C ATOM 1018 C LEU A 68 11.894 -6.297 0.370 1.00 0.00 C ATOM 1019 O LEU A 68 11.922 -7.526 0.438 1.00 0.00 O ATOM 1020 CB LEU A 68 9.457 -6.261 -0.232 1.00 0.00 C ATOM 1021 CG LEU A 68 8.389 -5.894 -1.266 1.00 0.00 C ATOM 1022 CD1 LEU A 68 7.786 -7.146 -1.886 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.303 -5.025 -0.642 1.00 0.00 C ATOM 0 H LEU A 68 10.530 -6.100 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 68 10.754 -4.553 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.598 -7.342 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.088 -5.999 0.760 1.00 0.00 H new ATOM 0 HG LEU A 68 8.869 -5.319 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.030 -6.862 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.570 -7.721 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.326 -7.753 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.556 -4.778 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.827 -5.568 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.748 -4.107 -0.257 1.00 0.00 H new ATOM 1035 N THR A 69 12.782 -5.520 0.987 1.00 0.00 N ATOM 1036 CA THR A 69 13.857 -6.089 1.793 1.00 0.00 C ATOM 1037 C THR A 69 13.294 -6.771 3.033 1.00 0.00 C ATOM 1038 O THR A 69 12.081 -6.913 3.174 1.00 0.00 O ATOM 1039 CB THR A 69 14.877 -5.017 2.195 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.495 -4.380 3.403 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.069 -3.940 1.146 1.00 0.00 C ATOM 0 H THR A 69 12.778 -4.501 0.944 1.00 0.00 H new ATOM 0 HA THR A 69 14.370 -6.834 1.184 1.00 0.00 H new ATOM 0 HB THR A 69 15.818 -5.554 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.278 -4.284 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.804 -3.216 1.498 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.421 -4.393 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.120 -3.435 0.965 1.00 0.00 H new ATOM 1049 N GLN A 70 14.180 -7.191 3.929 1.00 0.00 N ATOM 1050 CA GLN A 70 13.762 -7.858 5.158 1.00 0.00 C ATOM 1051 C GLN A 70 12.653 -7.069 5.850 1.00 0.00 C ATOM 1052 O GLN A 70 11.744 -7.647 6.455 1.00 0.00 O ATOM 1053 CB GLN A 70 14.956 -8.030 6.102 1.00 0.00 C ATOM 1054 CG GLN A 70 15.452 -6.729 6.714 1.00 0.00 C ATOM 1055 CD GLN A 70 16.097 -5.811 5.694 1.00 0.00 C ATOM 1056 OE1 GLN A 70 15.738 -4.639 5.582 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.056 -6.339 4.941 1.00 0.00 N ATOM 0 H GLN A 70 15.189 -7.082 3.829 1.00 0.00 H new ATOM 0 HA GLN A 70 13.374 -8.843 4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.677 -8.714 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.775 -8.498 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.616 -6.212 7.185 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.172 -6.954 7.501 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.323 -7.315 5.066 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.525 -5.768 4.238 1.00 0.00 H new ATOM 1066 N GLU A 71 12.728 -5.745 5.745 1.00 0.00 N ATOM 1067 CA GLU A 71 11.732 -4.878 6.354 1.00 0.00 C ATOM 1068 C GLU A 71 10.422 -4.958 5.590 1.00 0.00 C ATOM 1069 O GLU A 71 9.420 -5.445 6.109 1.00 0.00 O ATOM 1070 CB GLU A 71 12.231 -3.432 6.379 1.00 0.00 C ATOM 1071 CG GLU A 71 11.368 -2.505 7.220 1.00 0.00 C ATOM 1072 CD GLU A 71 10.630 -1.477 6.384 1.00 0.00 C ATOM 1073 OE1 GLU A 71 9.993 -1.873 5.384 1.00 0.00 O ATOM 1074 OE2 GLU A 71 10.690 -0.278 6.727 1.00 0.00 O ATOM 0 H GLU A 71 13.468 -5.253 5.244 1.00 0.00 H new ATOM 0 HA GLU A 71 11.564 -5.213 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.250 -3.415 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.270 -3.052 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.646 -3.097 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.996 -1.992 7.949 1.00 0.00 H new ATOM 1081 N ASP A 72 10.439 -4.492 4.346 1.00 0.00 N ATOM 1082 CA ASP A 72 9.248 -4.523 3.512 1.00 0.00 C ATOM 1083 C ASP A 72 8.662 -5.936 3.469 1.00 0.00 C ATOM 1084 O ASP A 72 7.447 -6.113 3.426 1.00 0.00 O ATOM 1085 CB ASP A 72 9.562 -4.025 2.109 1.00 0.00 C ATOM 1086 CG ASP A 72 10.394 -2.757 2.109 1.00 0.00 C ATOM 1087 OD1 ASP A 72 11.470 -2.750 2.742 1.00 0.00 O ATOM 1088 OD2 ASP A 72 9.967 -1.769 1.474 1.00 0.00 O ATOM 0 H ASP A 72 11.262 -4.090 3.896 1.00 0.00 H new ATOM 0 HA ASP A 72 8.504 -3.857 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.094 -4.804 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.629 -3.842 1.576 1.00 0.00 H new ATOM 1093 N THR A 73 9.531 -6.947 3.515 1.00 0.00 N ATOM 1094 CA THR A 73 9.070 -8.334 3.523 1.00 0.00 C ATOM 1095 C THR A 73 8.245 -8.564 4.778 1.00 0.00 C ATOM 1096 O THR A 73 7.072 -8.935 4.703 1.00 0.00 O ATOM 1097 CB THR A 73 10.246 -9.310 3.473 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.265 -8.916 4.373 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.865 -9.430 2.096 1.00 0.00 C ATOM 0 H THR A 73 10.544 -6.833 3.547 1.00 0.00 H new ATOM 0 HA THR A 73 8.461 -8.513 2.637 1.00 0.00 H new ATOM 0 HB THR A 73 9.830 -10.278 3.751 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.798 -8.199 3.970 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.693 -10.138 2.130 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.114 -9.784 1.389 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.233 -8.455 1.776 1.00 0.00 H new ATOM 1107 N ALA A 74 8.845 -8.284 5.937 1.00 0.00 N ATOM 1108 CA ALA A 74 8.124 -8.408 7.195 1.00 0.00 C ATOM 1109 C ALA A 74 6.902 -7.495 7.148 1.00 0.00 C ATOM 1110 O ALA A 74 5.901 -7.725 7.826 1.00 0.00 O ATOM 1111 CB ALA A 74 9.023 -8.048 8.371 1.00 0.00 C ATOM 0 H ALA A 74 9.813 -7.975 6.026 1.00 0.00 H new ATOM 0 HA ALA A 74 7.804 -9.441 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.463 -8.148 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.882 -8.719 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.368 -7.020 8.264 1.00 0.00 H new ATOM 1117 N LYS A 75 7.006 -6.467 6.306 1.00 0.00 N ATOM 1118 CA LYS A 75 5.937 -5.503 6.101 1.00 0.00 C ATOM 1119 C LYS A 75 4.709 -6.201 5.528 1.00 0.00 C ATOM 1120 O LYS A 75 3.674 -6.290 6.189 1.00 0.00 O ATOM 1121 CB LYS A 75 6.424 -4.423 5.141 1.00 0.00 C ATOM 1122 CG LYS A 75 6.015 -3.010 5.513 1.00 0.00 C ATOM 1123 CD LYS A 75 7.052 -2.304 6.376 1.00 0.00 C ATOM 1124 CE LYS A 75 7.778 -3.252 7.321 1.00 0.00 C ATOM 1125 NZ LYS A 75 6.915 -3.679 8.457 1.00 0.00 N ATOM 0 H LYS A 75 7.839 -6.283 5.747 1.00 0.00 H new ATOM 0 HA LYS A 75 5.663 -5.049 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.512 -4.469 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.045 -4.645 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.852 -2.432 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.065 -3.040 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.781 -1.813 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.563 -1.523 6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.110 -4.131 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.672 -2.763 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.250 -3.232 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.933 -3.390 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.959 -4.713 8.557 1.00 0.00 H new ATOM 1139 N LEU A 76 4.834 -6.725 4.303 1.00 0.00 N ATOM 1140 CA LEU A 76 3.729 -7.444 3.675 1.00 0.00 C ATOM 1141 C LEU A 76 3.213 -8.490 4.647 1.00 0.00 C ATOM 1142 O LEU A 76 2.007 -8.700 4.786 1.00 0.00 O ATOM 1143 CB LEU A 76 4.171 -8.120 2.376 1.00 0.00 C ATOM 1144 CG LEU A 76 4.600 -7.165 1.261 1.00 0.00 C ATOM 1145 CD1 LEU A 76 6.116 -7.043 1.218 1.00 0.00 C ATOM 1146 CD2 LEU A 76 4.056 -7.634 -0.083 1.00 0.00 C ATOM 0 H LEU A 76 5.680 -6.664 3.736 1.00 0.00 H new ATOM 0 HA LEU A 76 2.942 -6.732 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.001 -8.791 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.351 -8.738 2.009 1.00 0.00 H new ATOM 0 HG LEU A 76 4.185 -6.179 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.404 -6.360 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.477 -6.658 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.555 -8.023 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.371 -6.943 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.440 -8.630 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.967 -7.665 -0.044 1.00 0.00 H new ATOM 1158 N LEU A 77 4.155 -9.128 5.338 1.00 0.00 N ATOM 1159 CA LEU A 77 3.835 -10.140 6.326 1.00 0.00 C ATOM 1160 C LEU A 77 2.873 -9.593 7.361 1.00 0.00 C ATOM 1161 O LEU A 77 1.747 -10.061 7.485 1.00 0.00 O ATOM 1162 CB LEU A 77 5.107 -10.612 7.024 1.00 0.00 C ATOM 1163 CG LEU A 77 5.300 -12.118 7.024 1.00 0.00 C ATOM 1164 CD1 LEU A 77 6.624 -12.494 7.669 1.00 0.00 C ATOM 1165 CD2 LEU A 77 4.143 -12.806 7.734 1.00 0.00 C ATOM 0 H LEU A 77 5.154 -8.955 5.226 1.00 0.00 H new ATOM 0 HA LEU A 77 3.366 -10.979 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.966 -10.148 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.093 -10.260 8.055 1.00 0.00 H new ATOM 0 HG LEU A 77 5.319 -12.458 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.740 -13.578 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.442 -12.036 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.641 -12.138 8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.299 -13.885 7.724 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.090 -12.457 8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.210 -12.570 7.222 1.00 0.00 H new ATOM 1177 N GLN A 78 3.333 -8.604 8.110 1.00 0.00 N ATOM 1178 CA GLN A 78 2.514 -8.004 9.143 1.00 0.00 C ATOM 1179 C GLN A 78 1.226 -7.436 8.553 1.00 0.00 C ATOM 1180 O GLN A 78 0.130 -7.743 9.021 1.00 0.00 O ATOM 1181 CB GLN A 78 3.292 -6.906 9.874 1.00 0.00 C ATOM 1182 CG GLN A 78 2.701 -6.535 11.224 1.00 0.00 C ATOM 1183 CD GLN A 78 3.005 -5.104 11.623 1.00 0.00 C ATOM 1184 OE1 GLN A 78 2.161 -4.217 11.492 1.00 0.00 O ATOM 1185 NE2 GLN A 78 4.216 -4.872 12.116 1.00 0.00 N ATOM 0 H GLN A 78 4.266 -8.203 8.020 1.00 0.00 H new ATOM 0 HA GLN A 78 2.250 -8.781 9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.321 -7.235 10.016 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.326 -6.016 9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.621 -6.678 11.195 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.091 -7.211 11.985 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.885 -5.637 12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 78 4.478 -3.929 12.404 1.00 0.00 H new ATOM 1194 N SER A 79 1.366 -6.606 7.521 1.00 0.00 N ATOM 1195 CA SER A 79 0.211 -5.997 6.867 1.00 0.00 C ATOM 1196 C SER A 79 -0.801 -7.050 6.426 1.00 0.00 C ATOM 1197 O SER A 79 -1.996 -6.770 6.321 1.00 0.00 O ATOM 1198 CB SER A 79 0.656 -5.185 5.650 1.00 0.00 C ATOM 1199 OG SER A 79 -0.236 -4.109 5.394 1.00 0.00 O ATOM 0 H SER A 79 2.266 -6.341 7.121 1.00 0.00 H new ATOM 0 HA SER A 79 -0.266 -5.340 7.594 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.660 -4.796 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.707 -5.834 4.776 1.00 0.00 H new ATOM 0 HG SER A 79 -1.051 -4.453 4.972 1.00 0.00 H new ATOM 1205 N THR A 80 -0.315 -8.256 6.155 1.00 0.00 N ATOM 1206 CA THR A 80 -1.178 -9.344 5.710 1.00 0.00 C ATOM 1207 C THR A 80 -1.647 -10.198 6.887 1.00 0.00 C ATOM 1208 O THR A 80 -2.844 -10.295 7.158 1.00 0.00 O ATOM 1209 CB THR A 80 -0.435 -10.212 4.693 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.034 -9.442 3.573 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.260 -11.370 4.181 1.00 0.00 C ATOM 0 H THR A 80 0.671 -8.505 6.236 1.00 0.00 H new ATOM 0 HA THR A 80 -2.060 -8.909 5.240 1.00 0.00 H new ATOM 0 HB THR A 80 0.428 -10.609 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.899 -9.163 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.674 -11.945 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.544 -12.012 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.158 -10.990 3.694 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.696 -10.817 7.577 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.999 -11.670 8.723 1.00 0.00 C ATOM 1221 C VAL A 81 -1.894 -10.961 9.738 1.00 0.00 C ATOM 1222 O VAL A 81 -2.595 -11.611 10.515 1.00 0.00 O ATOM 1223 CB VAL A 81 0.292 -12.136 9.427 1.00 0.00 C ATOM 1224 CG1 VAL A 81 1.158 -12.944 8.474 1.00 0.00 C ATOM 1225 CG2 VAL A 81 1.061 -10.944 9.979 1.00 0.00 C ATOM 0 H VAL A 81 0.298 -10.744 7.362 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.532 -12.537 8.332 1.00 0.00 H new ATOM 0 HB VAL A 81 0.016 -12.778 10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.064 -13.264 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.605 -13.820 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.426 -12.328 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.968 -11.293 10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.327 -10.273 9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.439 -10.411 10.699 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.866 -9.628 9.731 1.00 0.00 N ATOM 1236 CA LYS A 82 -2.676 -8.835 10.656 1.00 0.00 C ATOM 1237 C LYS A 82 -4.103 -9.374 10.747 1.00 0.00 C ATOM 1238 O LYS A 82 -4.555 -9.780 11.818 1.00 0.00 O ATOM 1239 CB LYS A 82 -2.699 -7.369 10.217 1.00 0.00 C ATOM 1240 CG LYS A 82 -2.289 -6.398 11.313 1.00 0.00 C ATOM 1241 CD LYS A 82 -3.120 -6.590 12.574 1.00 0.00 C ATOM 1242 CE LYS A 82 -2.310 -7.234 13.689 1.00 0.00 C ATOM 1243 NZ LYS A 82 -2.953 -8.479 14.194 1.00 0.00 N ATOM 0 H LYS A 82 -1.291 -9.075 9.095 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.222 -8.908 11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.032 -7.244 9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.703 -7.116 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.234 -6.538 11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.403 -5.375 10.954 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.499 -5.625 12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.986 -7.212 12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.309 -7.464 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.195 -6.526 14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.225 -9.113 14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.636 -8.239 14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.447 -8.956 13.413 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.806 -9.377 9.619 1.00 0.00 N ATOM 1258 CA HIS A 83 -6.180 -9.869 9.575 1.00 0.00 C ATOM 1259 C HIS A 83 -6.304 -11.051 8.618 1.00 0.00 C ATOM 1260 O HIS A 83 -6.351 -12.205 9.044 1.00 0.00 O ATOM 1261 CB HIS A 83 -7.133 -8.748 9.153 1.00 0.00 C ATOM 1262 CG HIS A 83 -7.251 -7.651 10.164 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -7.990 -7.771 11.322 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -6.718 -6.406 10.187 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -7.907 -6.647 12.013 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -7.140 -5.804 11.346 1.00 0.00 N ATOM 0 H HIS A 83 -4.448 -9.045 8.724 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.452 -10.207 10.575 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.789 -8.326 8.209 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.121 -9.171 8.971 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.080 -5.968 9.434 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.385 -6.452 12.961 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -6.900 -4.858 11.644 1.00 0.00 H new ATOM 1275 N ASN A 84 -6.353 -10.757 7.322 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.468 -11.797 6.306 1.00 0.00 C ATOM 1277 C ASN A 84 -5.103 -12.120 5.709 1.00 0.00 C ATOM 1278 O ASN A 84 -4.328 -11.219 5.387 1.00 0.00 O ATOM 1279 CB ASN A 84 -7.430 -11.357 5.202 1.00 0.00 C ATOM 1280 CG ASN A 84 -7.989 -12.531 4.421 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -7.696 -12.699 3.238 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -8.797 -13.352 5.082 1.00 0.00 N ATOM 0 H ASN A 84 -6.315 -9.808 6.951 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.861 -12.696 6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.252 -10.793 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.912 -10.684 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.201 -14.160 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.013 -13.175 6.063 1.00 0.00 H new ATOM 1289 N LEU A 85 -4.811 -13.408 5.567 1.00 0.00 N ATOM 1290 CA LEU A 85 -3.534 -13.842 5.012 1.00 0.00 C ATOM 1291 C LEU A 85 -3.737 -14.699 3.767 1.00 0.00 C ATOM 1292 O LEU A 85 -3.640 -15.925 3.823 1.00 0.00 O ATOM 1293 CB LEU A 85 -2.731 -14.622 6.059 1.00 0.00 C ATOM 1294 CG LEU A 85 -3.564 -15.444 7.047 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -4.049 -16.731 6.397 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -2.753 -15.749 8.297 1.00 0.00 C ATOM 0 H LEU A 85 -5.439 -14.168 5.828 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.975 -12.951 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.046 -15.293 5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.120 -13.917 6.623 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.436 -14.857 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.639 -17.301 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.665 -16.491 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.191 -17.324 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.358 -16.334 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.863 -16.317 8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.455 -14.815 8.774 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.015 -14.046 2.641 1.00 0.00 N ATOM 1309 CA ASN A 86 -4.226 -14.754 1.381 1.00 0.00 C ATOM 1310 C ASN A 86 -4.602 -13.792 0.257 1.00 0.00 C ATOM 1311 O ASN A 86 -5.452 -14.105 -0.576 1.00 0.00 O ATOM 1312 CB ASN A 86 -5.319 -15.814 1.539 1.00 0.00 C ATOM 1313 CG ASN A 86 -6.576 -15.258 2.178 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -6.692 -15.417 3.492 1.00 0.00 O flip ATOM 1315 ND2 ASN A 86 -7.433 -14.691 1.500 1.00 0.00 N flip ATOM 0 H ASN A 86 -4.099 -13.032 2.575 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.287 -15.240 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.564 -16.227 0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.939 -16.636 2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.303 -14.591 0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.273 -14.321 1.945 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.963 -12.624 0.228 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.245 -11.639 -0.811 1.00 0.00 C ATOM 1324 C ASN A 87 -2.959 -11.151 -1.472 1.00 0.00 C ATOM 1325 O ASN A 87 -2.894 -11.032 -2.695 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.066 -10.467 -0.243 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.646 -9.093 -0.759 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.087 -8.960 -1.846 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -4.935 -8.058 0.021 1.00 0.00 N ATOM 0 H ASN A 87 -3.254 -12.340 0.904 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.844 -12.123 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.117 -10.626 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.983 -10.474 0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.692 -7.113 -0.275 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.400 -8.208 0.917 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.937 -10.856 -0.676 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.688 -10.379 -1.237 1.00 0.00 C ATOM 1338 C TYR A 88 0.270 -11.532 -1.495 1.00 0.00 C ATOM 1339 O TYR A 88 0.382 -12.455 -0.688 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.039 -9.345 -0.315 1.00 0.00 C ATOM 1341 CG TYR A 88 -1.017 -8.338 0.244 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.858 -8.671 1.299 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -1.104 -7.058 -0.286 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.757 -7.755 1.810 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -2.001 -6.137 0.219 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.826 -6.490 1.266 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.721 -5.575 1.772 1.00 0.00 O ATOM 0 H TYR A 88 -1.951 -10.938 0.341 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.912 -9.901 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.450 -9.862 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.739 -8.817 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.808 -9.662 1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.460 -6.778 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.403 -8.028 2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.056 -5.145 -0.204 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.354 -5.175 2.588 1.00 0.00 H new ATOM 1357 N ASP A 89 0.948 -11.480 -2.636 1.00 0.00 N ATOM 1358 CA ASP A 89 1.875 -12.506 -3.025 1.00 0.00 C ATOM 1359 C ASP A 89 3.267 -11.874 -3.198 1.00 0.00 C ATOM 1360 O ASP A 89 3.384 -10.696 -3.550 1.00 0.00 O ATOM 1361 CB ASP A 89 1.314 -13.133 -4.308 1.00 0.00 C ATOM 1362 CG ASP A 89 2.364 -13.710 -5.238 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.450 -14.088 -4.752 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.093 -13.798 -6.453 1.00 0.00 O ATOM 0 H ASP A 89 0.862 -10.719 -3.310 1.00 0.00 H new ATOM 0 HA ASP A 89 1.992 -13.293 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.615 -13.923 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.745 -12.376 -4.848 1.00 0.00 H new ATOM 1369 N LEU A 90 4.316 -12.626 -2.915 1.00 0.00 N ATOM 1370 CA LEU A 90 5.671 -12.073 -3.015 1.00 0.00 C ATOM 1371 C LEU A 90 6.722 -13.104 -3.431 1.00 0.00 C ATOM 1372 O LEU A 90 6.498 -14.313 -3.376 1.00 0.00 O ATOM 1373 CB LEU A 90 6.111 -11.437 -1.683 1.00 0.00 C ATOM 1374 CG LEU A 90 5.010 -11.042 -0.707 1.00 0.00 C ATOM 1375 CD1 LEU A 90 4.272 -12.270 -0.198 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.601 -10.262 0.455 1.00 0.00 C ATOM 0 H LEU A 90 4.268 -13.601 -2.620 1.00 0.00 H new ATOM 0 HA LEU A 90 5.613 -11.317 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.777 -12.137 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.697 -10.547 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 90 4.294 -10.409 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.491 -11.963 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.822 -12.799 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.973 -12.930 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.807 -9.984 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.334 -10.880 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.087 -9.361 0.079 1.00 0.00 H new ATOM 1388 N ARG A 91 7.885 -12.579 -3.823 1.00 0.00 N ATOM 1389 CA ARG A 91 9.033 -13.387 -4.235 1.00 0.00 C ATOM 1390 C ARG A 91 10.304 -12.789 -3.625 1.00 0.00 C ATOM 1391 O ARG A 91 10.308 -11.629 -3.253 1.00 0.00 O ATOM 1392 CB ARG A 91 9.134 -13.420 -5.765 1.00 0.00 C ATOM 1393 CG ARG A 91 10.339 -14.185 -6.289 1.00 0.00 C ATOM 1394 CD ARG A 91 10.549 -13.944 -7.777 1.00 0.00 C ATOM 1395 NE ARG A 91 9.837 -14.920 -8.599 1.00 0.00 N ATOM 1396 CZ ARG A 91 8.576 -14.774 -9.003 1.00 0.00 C ATOM 1397 NH1 ARG A 91 7.876 -13.702 -8.650 1.00 0.00 N ATOM 1398 NH2 ARG A 91 8.012 -15.705 -9.761 1.00 0.00 N ATOM 0 H ARG A 91 8.057 -11.574 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 91 8.909 -14.411 -3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.227 -13.870 -6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.176 -12.397 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.231 -13.881 -5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.201 -15.251 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.210 -12.940 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.614 -13.988 -8.004 1.00 0.00 H new ATOM 0 HE ARG A 91 10.336 -15.764 -8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.303 -12.983 -8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.911 -13.597 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.544 -16.532 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.047 -15.594 -10.071 1.00 0.00 H new ATOM 1412 N SER A 92 11.370 -13.575 -3.506 1.00 0.00 N ATOM 1413 CA SER A 92 12.619 -13.083 -2.912 1.00 0.00 C ATOM 1414 C SER A 92 13.689 -12.806 -3.952 1.00 0.00 C ATOM 1415 O SER A 92 13.643 -13.304 -5.075 1.00 0.00 O ATOM 1416 CB SER A 92 13.150 -14.072 -1.877 1.00 0.00 C ATOM 1417 OG SER A 92 13.315 -15.363 -2.437 1.00 0.00 O ATOM 0 H SER A 92 11.399 -14.549 -3.809 1.00 0.00 H new ATOM 0 HA SER A 92 12.380 -12.137 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.104 -13.717 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.461 -14.124 -1.034 1.00 0.00 H new ATOM 0 HG SER A 92 13.658 -15.975 -1.753 1.00 0.00 H new ATOM 1423 N VAL A 93 14.643 -11.978 -3.537 1.00 0.00 N ATOM 1424 CA VAL A 93 15.754 -11.548 -4.346 1.00 0.00 C ATOM 1425 C VAL A 93 16.355 -10.306 -3.705 1.00 0.00 C ATOM 1426 O VAL A 93 15.674 -9.528 -3.049 1.00 0.00 O ATOM 1427 CB VAL A 93 15.360 -11.216 -5.806 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.522 -12.436 -6.702 1.00 0.00 C ATOM 1429 CG2 VAL A 93 13.942 -10.666 -5.884 1.00 0.00 C ATOM 0 H VAL A 93 14.655 -11.581 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 93 16.465 -12.373 -4.391 1.00 0.00 H new ATOM 0 HB VAL A 93 16.036 -10.440 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.239 -12.178 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.561 -12.764 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.882 -13.241 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.695 -10.443 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.243 -11.407 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.872 -9.755 -5.290 1.00 0.00 H new ATOM 1439 N GLY A 94 17.628 -10.136 -3.876 1.00 0.00 N ATOM 1440 CA GLY A 94 18.290 -8.978 -3.301 1.00 0.00 C ATOM 1441 C GLY A 94 19.027 -9.286 -2.021 1.00 0.00 C ATOM 1442 O GLY A 94 19.177 -8.413 -1.167 1.00 0.00 O ATOM 0 H GLY A 94 18.234 -10.767 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.993 -8.572 -4.028 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.548 -8.203 -3.108 1.00 0.00 H new ATOM 1446 N ASN A 95 19.469 -10.530 -1.861 1.00 0.00 N ATOM 1447 CA ASN A 95 20.166 -10.921 -0.640 1.00 0.00 C ATOM 1448 C ASN A 95 19.337 -10.515 0.577 1.00 0.00 C ATOM 1449 O ASN A 95 19.861 -10.350 1.678 1.00 0.00 O ATOM 1450 CB ASN A 95 21.545 -10.259 -0.581 1.00 0.00 C ATOM 1451 CG ASN A 95 22.357 -10.710 0.617 1.00 0.00 C ATOM 1452 OD1 ASN A 95 22.366 -9.897 1.669 1.00 0.00 O flip ATOM 1453 ND2 ASN A 95 22.971 -11.777 0.599 1.00 0.00 N flip ATOM 0 H ASN A 95 19.360 -11.274 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 95 20.300 -12.003 -0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 95 22.094 -10.489 -1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.423 -9.176 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 95 22.937 -12.371 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 95 23.514 -12.067 1.413 1.00 0.00 H new ATOM 1460 N GLY A 96 18.034 -10.346 0.358 1.00 0.00 N ATOM 1461 CA GLY A 96 17.146 -9.949 1.424 1.00 0.00 C ATOM 1462 C GLY A 96 15.961 -9.124 0.939 1.00 0.00 C ATOM 1463 O GLY A 96 15.150 -8.689 1.755 1.00 0.00 O ATOM 0 H GLY A 96 17.582 -10.479 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.777 -10.840 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.706 -9.372 2.159 1.00 0.00 H new ATOM 1467 N ASN A 97 15.834 -8.912 -0.382 1.00 0.00 N ATOM 1468 CA ASN A 97 14.722 -8.147 -0.913 1.00 0.00 C ATOM 1469 C ASN A 97 13.710 -9.079 -1.550 1.00 0.00 C ATOM 1470 O ASN A 97 13.994 -10.253 -1.770 1.00 0.00 O ATOM 1471 CB ASN A 97 15.185 -7.096 -1.925 1.00 0.00 C ATOM 1472 CG ASN A 97 16.555 -6.522 -1.606 1.00 0.00 C ATOM 1473 OD1 ASN A 97 16.875 -6.416 -0.320 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.315 -6.169 -2.508 1.00 0.00 N flip ATOM 0 H ASN A 97 16.486 -9.260 -1.085 1.00 0.00 H new ATOM 0 HA ASN A 97 14.255 -7.618 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.208 -7.543 -2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.457 -6.286 -1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.030 -6.268 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.229 -5.778 -2.281 1.00 0.00 H new ATOM 1481 N SER A 98 12.530 -8.570 -1.839 1.00 0.00 N ATOM 1482 CA SER A 98 11.507 -9.389 -2.456 1.00 0.00 C ATOM 1483 C SER A 98 10.742 -8.602 -3.499 1.00 0.00 C ATOM 1484 O SER A 98 10.795 -7.375 -3.544 1.00 0.00 O ATOM 1485 CB SER A 98 10.548 -9.959 -1.408 1.00 0.00 C ATOM 1486 OG SER A 98 9.203 -9.929 -1.860 1.00 0.00 O ATOM 0 H SER A 98 12.257 -7.604 -1.659 1.00 0.00 H new ATOM 0 HA SER A 98 12.005 -10.223 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.831 -10.985 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.635 -9.386 -0.485 1.00 0.00 H new ATOM 0 HG SER A 98 9.050 -10.671 -2.482 1.00 0.00 H new ATOM 1492 N VAL A 99 10.023 -9.326 -4.325 1.00 0.00 N ATOM 1493 CA VAL A 99 9.226 -8.730 -5.365 1.00 0.00 C ATOM 1494 C VAL A 99 7.773 -8.775 -4.938 1.00 0.00 C ATOM 1495 O VAL A 99 7.358 -9.719 -4.263 1.00 0.00 O ATOM 1496 CB VAL A 99 9.431 -9.488 -6.696 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.160 -10.198 -7.146 1.00 0.00 C ATOM 1498 CG2 VAL A 99 9.940 -8.550 -7.779 1.00 0.00 C ATOM 0 H VAL A 99 9.976 -10.344 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 99 9.528 -7.695 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 99 10.186 -10.254 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.347 -10.719 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.857 -10.918 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.365 -9.466 -7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.077 -9.106 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.216 -7.751 -7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.893 -8.120 -7.470 1.00 0.00 H new ATOM 1508 N LEU A 100 6.993 -7.766 -5.305 1.00 0.00 N ATOM 1509 CA LEU A 100 5.604 -7.759 -4.903 1.00 0.00 C ATOM 1510 C LEU A 100 4.675 -8.139 -6.027 1.00 0.00 C ATOM 1511 O LEU A 100 4.329 -7.323 -6.881 1.00 0.00 O ATOM 1512 CB LEU A 100 5.163 -6.420 -4.344 1.00 0.00 C ATOM 1513 CG LEU A 100 3.635 -6.208 -4.317 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.089 -6.368 -2.909 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.260 -4.853 -4.896 1.00 0.00 C ATOM 0 H LEU A 100 7.292 -6.967 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 100 5.540 -8.511 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.549 -6.320 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.617 -5.626 -4.937 1.00 0.00 H new ATOM 0 HG LEU A 100 3.180 -6.976 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.010 -6.214 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.309 -7.372 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.555 -5.634 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.177 -4.731 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.732 -4.064 -4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.602 -4.792 -5.929 1.00 0.00 H new ATOM 1527 N VAL A 101 4.184 -9.351 -5.937 1.00 0.00 N ATOM 1528 CA VAL A 101 3.185 -9.829 -6.850 1.00 0.00 C ATOM 1529 C VAL A 101 1.993 -10.076 -5.960 1.00 0.00 C ATOM 1530 O VAL A 101 1.978 -10.999 -5.166 1.00 0.00 O ATOM 1531 CB VAL A 101 3.618 -11.113 -7.593 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.334 -12.070 -6.652 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.424 -11.785 -8.262 1.00 0.00 C ATOM 0 H VAL A 101 4.467 -10.029 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 101 2.985 -9.118 -7.651 1.00 0.00 H new ATOM 0 HB VAL A 101 4.321 -10.830 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.629 -12.966 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.221 -11.585 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.666 -12.346 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.756 -12.686 -8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.685 -12.051 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.976 -11.099 -8.981 1.00 0.00 H new ATOM 1543 N SER A 102 1.036 -9.193 -5.995 1.00 0.00 N ATOM 1544 CA SER A 102 -0.068 -9.320 -5.081 1.00 0.00 C ATOM 1545 C SER A 102 -1.364 -8.883 -5.682 1.00 0.00 C ATOM 1546 O SER A 102 -1.399 -8.160 -6.676 1.00 0.00 O ATOM 1547 CB SER A 102 0.219 -8.473 -3.832 1.00 0.00 C ATOM 1548 OG SER A 102 -0.915 -7.715 -3.438 1.00 0.00 O ATOM 0 H SER A 102 0.994 -8.395 -6.629 1.00 0.00 H new ATOM 0 HA SER A 102 -0.166 -10.375 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.523 -9.125 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.054 -7.801 -4.032 1.00 0.00 H new ATOM 0 HG SER A 102 -1.038 -7.790 -2.469 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.425 -9.296 -5.017 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.759 -8.928 -5.397 1.00 0.00 C ATOM 1556 C LEU A 103 -4.779 -9.887 -4.827 1.00 0.00 C ATOM 1557 O LEU A 103 -5.388 -9.615 -3.793 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.922 -8.782 -6.918 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.972 -7.338 -7.459 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.393 -6.955 -7.834 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.415 -6.326 -6.459 1.00 0.00 C ATOM 0 H LEU A 103 -2.377 -9.899 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.943 -7.944 -4.967 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.096 -9.302 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.838 -9.292 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.341 -7.313 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.406 -5.933 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.761 -7.633 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.033 -7.024 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.472 -5.324 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.000 -6.363 -5.540 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.376 -6.568 -6.237 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.964 -11.005 -5.501 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.921 -12.009 -5.052 1.00 0.00 C ATOM 1575 C ARG A 104 -7.237 -11.329 -4.673 1.00 0.00 C ATOM 1576 O ARG A 104 -7.922 -11.751 -3.743 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.339 -12.751 -3.847 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.715 -14.094 -4.184 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.388 -13.929 -4.908 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.252 -14.021 -3.991 1.00 0.00 N ATOM 1581 CZ ARG A 104 -1.956 -15.110 -3.284 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -2.690 -16.210 -3.405 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -0.920 -15.101 -2.457 1.00 0.00 N ATOM 0 H ARG A 104 -4.468 -11.245 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.115 -12.723 -5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.585 -12.121 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.130 -12.905 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.562 -14.665 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.401 -14.668 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.296 -14.695 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.368 -12.964 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.651 -13.203 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.486 -16.224 -4.043 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.458 -17.041 -2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.350 -14.260 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.693 -15.935 -1.915 1.00 0.00 H new ATOM 1597 N SER A 105 -7.535 -10.243 -5.402 1.00 0.00 N ATOM 1598 CA SER A 105 -8.720 -9.400 -5.199 1.00 0.00 C ATOM 1599 C SER A 105 -8.260 -7.947 -5.117 1.00 0.00 C ATOM 1600 O SER A 105 -7.071 -7.693 -4.925 1.00 0.00 O ATOM 1601 CB SER A 105 -9.498 -9.783 -3.937 1.00 0.00 C ATOM 1602 OG SER A 105 -10.143 -11.036 -4.090 1.00 0.00 O ATOM 0 H SER A 105 -6.943 -9.920 -6.167 1.00 0.00 H new ATOM 0 HA SER A 105 -9.401 -9.545 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.818 -9.823 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.239 -9.015 -3.717 1.00 0.00 H new ATOM 0 HG SER A 105 -9.512 -11.756 -3.881 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.169 -6.988 -5.280 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.762 -5.584 -5.233 1.00 0.00 C ATOM 1610 C ASP A 106 -9.164 -4.905 -3.925 1.00 0.00 C ATOM 1611 O ASP A 106 -10.311 -4.499 -3.742 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.368 -4.828 -6.417 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.352 -4.548 -7.507 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.215 -4.153 -7.172 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.692 -4.723 -8.696 1.00 0.00 O ATOM 0 H ASP A 106 -10.163 -7.148 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.674 -5.559 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.191 -5.409 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.789 -3.886 -6.066 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.182 -4.752 -3.043 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.366 -4.082 -1.760 1.00 0.00 C ATOM 1622 C GLN A 107 -7.005 -3.820 -1.126 1.00 0.00 C ATOM 1623 O GLN A 107 -6.194 -4.739 -1.006 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.242 -4.908 -0.820 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.644 -4.347 -0.632 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.391 -4.989 0.526 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.422 -4.486 0.968 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -10.872 -6.102 1.029 1.00 0.00 N ATOM 0 H GLN A 107 -7.232 -5.090 -3.198 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.876 -3.134 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.317 -5.924 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.754 -4.973 0.152 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.580 -3.272 -0.464 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.214 -4.493 -1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.014 -6.489 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.331 -6.571 1.810 1.00 0.00 H new ATOM 1637 N MET A 108 -6.739 -2.583 -0.725 1.00 0.00 N ATOM 1638 CA MET A 108 -5.451 -2.265 -0.119 1.00 0.00 C ATOM 1639 C MET A 108 -5.600 -1.488 1.182 1.00 0.00 C ATOM 1640 O MET A 108 -6.477 -0.635 1.322 1.00 0.00 O ATOM 1641 CB MET A 108 -4.580 -1.474 -1.096 1.00 0.00 C ATOM 1642 CG MET A 108 -3.088 -1.653 -0.860 1.00 0.00 C ATOM 1643 SD MET A 108 -2.367 -2.962 -1.874 1.00 0.00 S ATOM 1644 CE MET A 108 -3.666 -4.194 -1.833 1.00 0.00 C ATOM 0 H MET A 108 -7.384 -1.797 -0.806 1.00 0.00 H new ATOM 0 HA MET A 108 -4.969 -3.214 0.115 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.818 -1.782 -2.114 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.828 -0.416 -1.017 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.577 -0.714 -1.071 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.917 -1.880 0.192 1.00 0.00 H new ATOM 0 HE1 MET A 108 -3.355 -5.070 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.860 -4.483 -0.800 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.574 -3.780 -2.271 1.00 0.00 H new ATOM 1654 N THR A 109 -4.717 -1.792 2.126 1.00 0.00 N ATOM 1655 CA THR A 109 -4.709 -1.135 3.424 1.00 0.00 C ATOM 1656 C THR A 109 -3.563 -0.128 3.505 1.00 0.00 C ATOM 1657 O THR A 109 -2.648 -0.152 2.682 1.00 0.00 O ATOM 1658 CB THR A 109 -4.571 -2.170 4.543 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.962 -3.354 4.058 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.891 -2.559 5.171 1.00 0.00 C ATOM 0 H THR A 109 -3.990 -2.498 2.012 1.00 0.00 H new ATOM 0 HA THR A 109 -5.653 -0.605 3.546 1.00 0.00 H new ATOM 0 HB THR A 109 -3.955 -1.689 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.881 -4.003 4.788 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.718 -3.295 5.956 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.364 -1.676 5.600 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.544 -2.987 4.410 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.616 0.754 4.500 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.581 1.765 4.683 1.00 0.00 C ATOM 1670 C LEU A 110 -1.200 1.117 4.748 1.00 0.00 C ATOM 1671 O LEU A 110 -0.325 1.415 3.934 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.841 2.567 5.962 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.417 3.968 5.754 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.337 4.338 6.906 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.296 4.988 5.620 1.00 0.00 C ATOM 0 H LEU A 110 -4.365 0.788 5.191 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.609 2.440 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.527 2.001 6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.904 2.656 6.511 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.998 3.971 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.739 5.338 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.157 3.622 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.776 4.320 7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.723 5.980 5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.691 4.984 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.671 4.731 4.765 1.00 0.00 H new ATOM 1687 N GLN A 111 -1.010 0.229 5.723 1.00 0.00 N ATOM 1688 CA GLN A 111 0.267 -0.461 5.893 1.00 0.00 C ATOM 1689 C GLN A 111 0.751 -1.053 4.567 1.00 0.00 C ATOM 1690 O GLN A 111 1.827 -0.716 4.076 1.00 0.00 O ATOM 1691 CB GLN A 111 0.141 -1.560 6.956 1.00 0.00 C ATOM 1692 CG GLN A 111 1.272 -2.584 6.940 1.00 0.00 C ATOM 1693 CD GLN A 111 2.486 -2.153 7.737 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.250 -1.218 7.191 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.734 -2.659 8.832 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.723 -0.029 6.406 1.00 0.00 H new ATOM 0 HA GLN A 111 1.006 0.267 6.227 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.103 -1.094 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.806 -2.080 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 111 0.902 -3.529 7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.571 -2.768 5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.117 -3.376 9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.556 -2.361 9.357 1.00 0.00 H new ATOM 1704 N ASP A 112 -0.054 -1.937 3.991 1.00 0.00 N ATOM 1705 CA ASP A 112 0.293 -2.573 2.724 1.00 0.00 C ATOM 1706 C ASP A 112 0.691 -1.528 1.692 1.00 0.00 C ATOM 1707 O ASP A 112 1.717 -1.654 1.020 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.884 -3.402 2.209 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.786 -4.855 2.627 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.097 -5.565 2.102 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -1.593 -5.283 3.479 1.00 0.00 O ATOM 0 H ASP A 112 -0.950 -2.230 4.379 1.00 0.00 H new ATOM 0 HA ASP A 112 1.143 -3.234 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.816 -2.980 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.922 -3.340 1.121 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.121 -0.484 1.581 1.00 0.00 N ATOM 1717 CA ALA A 113 0.152 0.591 0.641 1.00 0.00 C ATOM 1718 C ALA A 113 1.589 1.084 0.788 1.00 0.00 C ATOM 1719 O ALA A 113 2.376 1.021 -0.156 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.827 1.736 0.848 1.00 0.00 C ATOM 0 H ALA A 113 -0.972 -0.361 2.130 1.00 0.00 H new ATOM 0 HA ALA A 113 0.026 0.204 -0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.610 2.533 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.844 1.378 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.729 2.119 1.864 1.00 0.00 H new ATOM 1726 N LYS A 114 1.927 1.569 1.981 1.00 0.00 N ATOM 1727 CA LYS A 114 3.273 2.066 2.239 1.00 0.00 C ATOM 1728 C LYS A 114 4.298 0.938 2.175 1.00 0.00 C ATOM 1729 O LYS A 114 5.481 1.186 1.965 1.00 0.00 O ATOM 1730 CB LYS A 114 3.338 2.803 3.591 1.00 0.00 C ATOM 1731 CG LYS A 114 4.005 2.037 4.733 1.00 0.00 C ATOM 1732 CD LYS A 114 2.990 1.485 5.715 1.00 0.00 C ATOM 1733 CE LYS A 114 2.201 2.577 6.410 1.00 0.00 C ATOM 1734 NZ LYS A 114 0.987 2.965 5.644 1.00 0.00 N ATOM 0 H LYS A 114 1.292 1.628 2.777 1.00 0.00 H new ATOM 0 HA LYS A 114 3.522 2.782 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.873 3.742 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.322 3.058 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.596 1.218 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.696 2.697 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.302 0.823 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.504 0.881 6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.909 2.236 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.837 3.451 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.049 3.969 5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.920 2.385 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.142 2.812 6.231 1.00 0.00 H new ATOM 1748 N VAL A 115 3.846 -0.302 2.347 1.00 0.00 N ATOM 1749 CA VAL A 115 4.755 -1.440 2.291 1.00 0.00 C ATOM 1750 C VAL A 115 5.379 -1.535 0.906 1.00 0.00 C ATOM 1751 O VAL A 115 6.606 -1.425 0.729 1.00 0.00 O ATOM 1752 CB VAL A 115 4.026 -2.765 2.600 1.00 0.00 C ATOM 1753 CG1 VAL A 115 4.901 -3.960 2.253 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.593 -2.822 4.053 1.00 0.00 C ATOM 0 H VAL A 115 2.870 -0.541 2.524 1.00 0.00 H new ATOM 0 HA VAL A 115 5.526 -1.283 3.045 1.00 0.00 H new ATOM 0 HB VAL A 115 3.131 -2.806 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.365 -4.882 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.147 -3.935 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.819 -3.921 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.082 -3.766 4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.469 -2.747 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.916 -1.994 4.264 1.00 0.00 H new ATOM 1764 N LEU A 116 4.517 -1.729 -0.079 1.00 0.00 N ATOM 1765 CA LEU A 116 4.954 -1.837 -1.450 1.00 0.00 C ATOM 1766 C LEU A 116 5.576 -0.532 -1.896 1.00 0.00 C ATOM 1767 O LEU A 116 6.571 -0.530 -2.602 1.00 0.00 O ATOM 1768 CB LEU A 116 3.782 -2.185 -2.366 1.00 0.00 C ATOM 1769 CG LEU A 116 2.808 -3.269 -1.872 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.399 -4.107 -0.746 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.489 -2.644 -1.442 1.00 0.00 C ATOM 0 H LEU A 116 3.509 -1.814 0.052 1.00 0.00 H new ATOM 0 HA LEU A 116 5.694 -2.634 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.212 -1.274 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.186 -2.505 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 116 2.624 -3.943 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.674 -4.858 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.304 -4.602 -1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.642 -3.462 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.812 -3.425 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.669 -1.935 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.040 -2.124 -2.288 1.00 0.00 H new ATOM 1783 N LEU A 117 4.978 0.577 -1.480 1.00 0.00 N ATOM 1784 CA LEU A 117 5.489 1.893 -1.844 1.00 0.00 C ATOM 1785 C LEU A 117 6.786 2.188 -1.123 1.00 0.00 C ATOM 1786 O LEU A 117 7.572 3.028 -1.562 1.00 0.00 O ATOM 1787 CB LEU A 117 4.451 2.978 -1.566 1.00 0.00 C ATOM 1788 CG LEU A 117 3.632 3.377 -2.790 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.202 2.873 -2.676 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.652 4.880 -2.970 1.00 0.00 C ATOM 0 H LEU A 117 4.143 0.593 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 117 5.693 1.890 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.774 2.629 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.958 3.861 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 117 4.084 2.914 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.640 3.171 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.205 1.786 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.735 3.301 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.064 5.149 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.227 5.358 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.680 5.217 -3.105 1.00 0.00 H new ATOM 1802 N GLU A 118 7.042 1.456 -0.053 1.00 0.00 N ATOM 1803 CA GLU A 118 8.283 1.615 0.661 1.00 0.00 C ATOM 1804 C GLU A 118 9.354 1.017 -0.217 1.00 0.00 C ATOM 1805 O GLU A 118 10.331 1.677 -0.585 1.00 0.00 O ATOM 1806 CB GLU A 118 8.247 0.911 2.020 1.00 0.00 C ATOM 1807 CG GLU A 118 9.561 0.992 2.781 1.00 0.00 C ATOM 1808 CD GLU A 118 9.379 1.456 4.213 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.625 0.798 4.960 1.00 0.00 O ATOM 1810 OE2 GLU A 118 9.992 2.478 4.589 1.00 0.00 O ATOM 0 H GLU A 118 6.410 0.754 0.333 1.00 0.00 H new ATOM 0 HA GLU A 118 8.474 2.668 0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.457 1.352 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.987 -0.137 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.039 0.012 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.234 1.676 2.264 1.00 0.00 H new ATOM 1817 N ALA A 119 9.124 -0.236 -0.598 1.00 0.00 N ATOM 1818 CA ALA A 119 10.044 -0.927 -1.480 1.00 0.00 C ATOM 1819 C ALA A 119 9.970 -0.367 -2.894 1.00 0.00 C ATOM 1820 O ALA A 119 10.913 -0.496 -3.675 1.00 0.00 O ATOM 1821 CB ALA A 119 9.775 -2.423 -1.479 1.00 0.00 C ATOM 0 H ALA A 119 8.314 -0.785 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 119 11.054 -0.763 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.478 -2.919 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.898 -2.814 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.756 -2.610 -1.819 1.00 0.00 H new ATOM 1827 N ALA A 120 8.847 0.262 -3.215 1.00 0.00 N ATOM 1828 CA ALA A 120 8.653 0.845 -4.528 1.00 0.00 C ATOM 1829 C ALA A 120 9.432 2.135 -4.647 1.00 0.00 C ATOM 1830 O ALA A 120 10.243 2.297 -5.553 1.00 0.00 O ATOM 1831 CB ALA A 120 7.180 1.080 -4.810 1.00 0.00 C ATOM 0 H ALA A 120 8.058 0.380 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 120 9.026 0.141 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.065 1.518 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.646 0.131 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.771 1.760 -4.063 1.00 0.00 H new ATOM 1837 N LEU A 121 9.202 3.049 -3.716 1.00 0.00 N ATOM 1838 CA LEU A 121 9.918 4.307 -3.730 1.00 0.00 C ATOM 1839 C LEU A 121 11.409 4.041 -3.521 1.00 0.00 C ATOM 1840 O LEU A 121 12.257 4.803 -3.974 1.00 0.00 O ATOM 1841 CB LEU A 121 9.357 5.264 -2.668 1.00 0.00 C ATOM 1842 CG LEU A 121 10.148 5.376 -1.363 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.506 6.826 -1.071 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.338 4.788 -0.234 1.00 0.00 C ATOM 0 H LEU A 121 8.534 2.942 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 121 9.785 4.792 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.284 6.258 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.342 4.948 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 121 11.079 4.819 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.068 6.881 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.113 7.222 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.593 7.415 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.900 4.867 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.399 5.333 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.129 3.739 -0.444 1.00 0.00 H new ATOM 1856 N ARG A 122 11.714 2.944 -2.823 1.00 0.00 N ATOM 1857 CA ARG A 122 13.096 2.564 -2.545 1.00 0.00 C ATOM 1858 C ARG A 122 13.806 2.022 -3.791 1.00 0.00 C ATOM 1859 O ARG A 122 14.967 2.350 -4.039 1.00 0.00 O ATOM 1860 CB ARG A 122 13.126 1.531 -1.407 1.00 0.00 C ATOM 1861 CG ARG A 122 14.079 0.367 -1.628 1.00 0.00 C ATOM 1862 CD ARG A 122 13.857 -0.740 -0.610 1.00 0.00 C ATOM 1863 NE ARG A 122 15.092 -1.106 0.079 1.00 0.00 N ATOM 1864 CZ ARG A 122 15.618 -0.403 1.079 1.00 0.00 C ATOM 1865 NH1 ARG A 122 15.022 0.704 1.506 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.742 -0.808 1.655 1.00 0.00 N ATOM 0 H ARG A 122 11.018 2.304 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 122 13.638 3.458 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.402 2.038 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.120 1.137 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.942 -0.030 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.108 0.721 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 122 13.116 -0.417 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.448 -1.617 -1.112 1.00 0.00 H new ATOM 0 HE ARG A 122 15.579 -1.949 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 122 14.157 1.019 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 122 15.429 1.239 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 122 17.203 -1.658 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 122 17.145 -0.269 2.421 1.00 0.00 H new ATOM 1880 N GLN A 123 13.126 1.167 -4.554 1.00 0.00 N ATOM 1881 CA GLN A 123 13.733 0.565 -5.742 1.00 0.00 C ATOM 1882 C GLN A 123 13.415 1.314 -7.034 1.00 0.00 C ATOM 1883 O GLN A 123 14.161 1.212 -8.009 1.00 0.00 O ATOM 1884 CB GLN A 123 13.273 -0.879 -5.899 1.00 0.00 C ATOM 1885 CG GLN A 123 14.164 -1.688 -6.828 1.00 0.00 C ATOM 1886 CD GLN A 123 13.387 -2.396 -7.920 1.00 0.00 C ATOM 1887 OE1 GLN A 123 12.282 -1.987 -8.276 1.00 0.00 O ATOM 1888 NE2 GLN A 123 13.965 -3.462 -8.461 1.00 0.00 N ATOM 0 H GLN A 123 12.165 0.877 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 123 14.810 0.618 -5.582 1.00 0.00 H new ATOM 0 HB2 GLN A 123 13.251 -1.356 -4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.253 -0.890 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.901 -1.027 -7.284 1.00 0.00 H new ATOM 0 HG3 GLN A 123 14.715 -2.425 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.882 -3.765 -8.135 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.492 -3.977 -9.203 1.00 0.00 H new ATOM 1897 N GLU A 124 12.295 2.025 -7.068 1.00 0.00 N ATOM 1898 CA GLU A 124 11.893 2.727 -8.285 1.00 0.00 C ATOM 1899 C GLU A 124 12.530 4.106 -8.416 1.00 0.00 C ATOM 1900 O GLU A 124 13.322 4.346 -9.327 1.00 0.00 O ATOM 1901 CB GLU A 124 10.371 2.870 -8.332 1.00 0.00 C ATOM 1902 CG GLU A 124 9.628 1.569 -8.073 1.00 0.00 C ATOM 1903 CD GLU A 124 9.204 0.873 -9.351 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.375 1.444 -10.090 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.700 -0.243 -9.612 1.00 0.00 O ATOM 0 H GLU A 124 11.656 2.132 -6.281 1.00 0.00 H new ATOM 0 HA GLU A 124 12.246 2.123 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.061 3.609 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.081 3.256 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.265 0.900 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.746 1.774 -7.466 1.00 0.00 H new ATOM 1912 N SER A 125 12.164 5.016 -7.525 1.00 0.00 N ATOM 1913 CA SER A 125 12.690 6.374 -7.577 1.00 0.00 C ATOM 1914 C SER A 125 13.884 6.562 -6.648 1.00 0.00 C ATOM 1915 O SER A 125 14.906 7.128 -7.036 1.00 0.00 O ATOM 1916 CB SER A 125 11.587 7.373 -7.223 1.00 0.00 C ATOM 1917 OG SER A 125 11.526 7.600 -5.825 1.00 0.00 O ATOM 0 H SER A 125 11.510 4.842 -6.762 1.00 0.00 H new ATOM 0 HA SER A 125 13.037 6.555 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.768 8.316 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.626 6.997 -7.575 1.00 0.00 H new ATOM 0 HG SER A 125 10.601 7.501 -5.518 1.00 0.00 H new ATOM 1923 N GLY A 126 13.730 6.114 -5.412 1.00 0.00 N ATOM 1924 CA GLY A 126 14.779 6.269 -4.425 1.00 0.00 C ATOM 1925 C GLY A 126 14.586 7.531 -3.636 1.00 0.00 C ATOM 1926 O GLY A 126 15.316 8.506 -3.817 1.00 0.00 O ATOM 0 H GLY A 126 12.892 5.643 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 126 14.781 5.411 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.750 6.289 -4.920 1.00 0.00 H new ATOM 1930 N ALA A 127 13.558 7.534 -2.788 1.00 0.00 N ATOM 1931 CA ALA A 127 13.234 8.717 -2.011 1.00 0.00 C ATOM 1932 C ALA A 127 13.145 9.902 -2.959 1.00 0.00 C ATOM 1933 O ALA A 127 13.405 11.046 -2.585 1.00 0.00 O ATOM 1934 CB ALA A 127 14.281 8.960 -0.935 1.00 0.00 C ATOM 0 H ALA A 127 12.944 6.736 -2.626 1.00 0.00 H new ATOM 0 HA ALA A 127 12.278 8.577 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.017 9.851 -0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.321 8.101 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.256 9.103 -1.401 1.00 0.00 H new ATOM 1940 N ARG A 128 12.803 9.595 -4.212 1.00 0.00 N ATOM 1941 CA ARG A 128 12.708 10.599 -5.246 1.00 0.00 C ATOM 1942 C ARG A 128 11.288 11.147 -5.362 1.00 0.00 C ATOM 1943 O ARG A 128 11.010 12.274 -4.952 1.00 0.00 O ATOM 1944 CB ARG A 128 13.158 10.019 -6.588 1.00 0.00 C ATOM 1945 CG ARG A 128 14.437 10.645 -7.122 1.00 0.00 C ATOM 1946 CD ARG A 128 14.176 11.480 -8.366 1.00 0.00 C ATOM 1947 NE ARG A 128 13.621 12.791 -8.039 1.00 0.00 N ATOM 1948 CZ ARG A 128 13.650 13.836 -8.864 1.00 0.00 C ATOM 1949 NH1 ARG A 128 14.202 13.727 -10.066 1.00 0.00 N ATOM 1950 NH2 ARG A 128 13.124 14.993 -8.486 1.00 0.00 N ATOM 0 H ARG A 128 12.588 8.649 -4.526 1.00 0.00 H new ATOM 0 HA ARG A 128 13.366 11.424 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.307 8.945 -6.479 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.362 10.158 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.886 11.271 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.157 9.860 -7.354 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.107 11.608 -8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.487 10.948 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 128 13.186 12.913 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.607 12.839 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.221 14.531 -10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.697 15.082 -7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.146 15.794 -9.117 1.00 0.00 H new ATOM 1964 N GLY A 129 10.394 10.340 -5.930 1.00 0.00 N ATOM 1965 CA GLY A 129 9.014 10.760 -6.097 1.00 0.00 C ATOM 1966 C GLY A 129 8.832 11.720 -7.257 1.00 0.00 C ATOM 1967 O GLY A 129 7.832 12.433 -7.329 1.00 0.00 O ATOM 0 H GLY A 129 10.602 9.404 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.388 9.882 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.669 11.236 -5.179 1.00 0.00 H new ATOM 1971 N SER A 130 9.800 11.740 -8.167 1.00 0.00 N ATOM 1972 CA SER A 130 9.739 12.621 -9.328 1.00 0.00 C ATOM 1973 C SER A 130 9.689 14.084 -8.898 1.00 0.00 C ATOM 1974 O SER A 130 9.578 14.338 -7.680 1.00 0.00 O ATOM 1975 CB SER A 130 8.516 12.288 -10.184 1.00 0.00 C ATOM 1976 OG SER A 130 8.303 13.276 -11.178 1.00 0.00 O ATOM 0 H SER A 130 10.636 11.157 -8.123 1.00 0.00 H new ATOM 0 HA SER A 130 10.641 12.464 -9.919 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.654 11.316 -10.657 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.634 12.211 -9.549 1.00 0.00 H new ATOM 0 HG SER A 130 7.517 13.038 -11.712 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -10.678 16.115 -10.571 1.00 0.00 C HETATM 1984 O ACE B 201 -9.476 16.381 -10.537 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -11.662 17.042 -11.276 1.00 0.00 C HETATM 0 H1 ACE B 201 -12.162 16.499 -12.078 1.00 0.00 H new HETATM 0 H2 ACE B 201 -12.404 17.397 -10.561 1.00 0.00 H new HETATM 0 H3 ACE B 201 -11.124 17.893 -11.694 1.00 0.00 H new ATOM 1989 N ASP B 202 -11.192 15.027 -10.007 1.00 0.00 N ATOM 1990 CA ASP B 202 -11.656 15.029 -8.625 1.00 0.00 C ATOM 1991 C ASP B 202 -10.614 14.411 -7.698 1.00 0.00 C ATOM 1992 O ASP B 202 -10.264 13.239 -7.835 1.00 0.00 O ATOM 1993 CB ASP B 202 -12.977 14.267 -8.507 1.00 0.00 C ATOM 1994 CG ASP B 202 -13.795 14.708 -7.309 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -13.553 14.186 -6.200 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -14.676 15.577 -7.479 1.00 0.00 O ATOM 0 H ASP B 202 -11.298 14.133 -10.486 1.00 0.00 H new ATOM 0 HA ASP B 202 -11.814 16.065 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -13.561 14.414 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -12.772 13.199 -8.430 1.00 0.00 H new ATOM 2001 N GLU B 203 -10.122 15.208 -6.755 1.00 0.00 N ATOM 2002 CA GLU B 203 -9.120 14.741 -5.804 1.00 0.00 C ATOM 2003 C GLU B 203 -8.790 15.827 -4.785 1.00 0.00 C ATOM 2004 O GLU B 203 -8.891 17.018 -5.078 1.00 0.00 O ATOM 2005 CB GLU B 203 -7.849 14.314 -6.539 1.00 0.00 C ATOM 2006 CG GLU B 203 -7.319 15.366 -7.501 1.00 0.00 C ATOM 2007 CD GLU B 203 -5.858 15.693 -7.262 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -5.069 14.754 -7.026 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -5.501 16.890 -7.311 1.00 0.00 O ATOM 0 H GLU B 203 -10.401 16.181 -6.629 1.00 0.00 H new ATOM 0 HA GLU B 203 -9.531 13.882 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -7.076 14.082 -5.806 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -8.050 13.396 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -7.446 15.013 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -7.912 16.275 -7.401 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.396 15.409 -3.586 1.00 0.00 N HETATM 2017 CA PTR B 204 -8.053 16.348 -2.524 1.00 0.00 C HETATM 2018 C PTR B 204 -6.925 17.277 -2.965 1.00 0.00 C HETATM 2019 O PTR B 204 -6.116 16.924 -3.824 1.00 0.00 O HETATM 2020 CB PTR B 204 -7.637 15.586 -1.262 1.00 0.00 C HETATM 2021 CG PTR B 204 -8.701 14.642 -0.748 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -9.962 15.111 -0.401 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -8.446 13.283 -0.608 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -10.938 14.253 0.069 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -9.418 12.419 -0.139 1.00 0.00 C HETATM 2026 CZ PTR B 204 -10.661 12.909 0.198 1.00 0.00 C HETATM 2027 OH PTR B 204 -11.631 12.052 0.667 1.00 0.00 O HETATM 2028 P PTR B 204 -12.345 12.407 2.008 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.391 13.486 1.623 1.00 0.00 O HETATM 2030 O2P PTR B 204 -11.243 13.060 2.881 1.00 0.00 O HETATM 2031 O3P PTR B 204 -12.967 11.211 2.665 1.00 0.00 O HETATM 0 HE2 PTR B 204 -9.202 11.356 -0.036 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -11.922 14.637 0.336 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -7.464 12.892 -0.872 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -10.185 16.173 -0.501 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.730 15.019 -1.472 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -7.390 16.303 -0.479 1.00 0.00 H new HETATM 0 HA PTR B 204 -8.933 16.953 -2.305 1.00 0.00 H new ATOM 2040 N ASP B 205 -6.886 18.470 -2.378 1.00 0.00 N ATOM 2041 CA ASP B 205 -5.866 19.465 -2.713 1.00 0.00 C ATOM 2042 C ASP B 205 -4.470 18.845 -2.772 1.00 0.00 C ATOM 2043 O ASP B 205 -3.956 18.560 -3.854 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.883 20.626 -1.709 1.00 0.00 C ATOM 2045 CG ASP B 205 -6.293 20.201 -0.310 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -7.495 19.938 -0.098 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -5.411 20.131 0.572 1.00 0.00 O ATOM 0 H ASP B 205 -7.550 18.774 -1.666 1.00 0.00 H new ATOM 0 HA ASP B 205 -6.107 19.851 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -4.892 21.078 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -6.569 21.395 -2.064 1.00 0.00 H new ATOM 2052 N ASP B 206 -3.856 18.645 -1.610 1.00 0.00 N ATOM 2053 CA ASP B 206 -2.518 18.067 -1.546 1.00 0.00 C ATOM 2054 C ASP B 206 -2.543 16.681 -0.905 1.00 0.00 C ATOM 2055 O ASP B 206 -3.374 16.401 -0.042 1.00 0.00 O ATOM 2056 CB ASP B 206 -1.581 18.987 -0.761 1.00 0.00 C ATOM 2057 CG ASP B 206 -2.054 19.218 0.662 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -2.364 18.226 1.354 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -2.112 20.393 1.084 1.00 0.00 O ATOM 0 H ASP B 206 -4.262 18.874 -0.703 1.00 0.00 H new ATOM 0 HA ASP B 206 -2.149 17.964 -2.567 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -0.581 18.553 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -1.503 19.945 -1.275 1.00 0.00 H new ATOM 2064 N PRO B 207 -1.623 15.795 -1.326 1.00 0.00 N ATOM 2065 CA PRO B 207 -1.517 14.431 -0.808 1.00 0.00 C ATOM 2066 C PRO B 207 -1.719 14.346 0.705 1.00 0.00 C ATOM 2067 O PRO B 207 -2.762 13.896 1.173 1.00 0.00 O ATOM 2068 CB PRO B 207 -0.086 14.010 -1.186 1.00 0.00 C ATOM 2069 CG PRO B 207 0.535 15.194 -1.861 1.00 0.00 C ATOM 2070 CD PRO B 207 -0.601 16.042 -2.345 1.00 0.00 C ATOM 0 HA PRO B 207 -2.292 13.787 -1.224 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.482 13.725 -0.301 1.00 0.00 H new ATOM 0 HB3 PRO B 207 -0.097 13.145 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO B 207 1.168 15.749 -1.169 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.168 14.881 -2.691 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -0.328 17.096 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -0.936 15.746 -3.339 1.00 0.00 H new ATOM 2078 N PHE B 208 -0.715 14.773 1.467 1.00 0.00 N ATOM 2079 CA PHE B 208 -0.795 14.732 2.926 1.00 0.00 C ATOM 2080 C PHE B 208 -2.097 15.355 3.423 1.00 0.00 C ATOM 2081 O PHE B 208 -2.202 16.575 3.556 1.00 0.00 O ATOM 2082 CB PHE B 208 0.399 15.458 3.547 1.00 0.00 C ATOM 2083 CG PHE B 208 1.561 14.557 3.858 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.661 13.928 5.091 1.00 0.00 C ATOM 2085 CD2 PHE B 208 2.558 14.345 2.918 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.735 13.107 5.379 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.632 13.523 3.202 1.00 0.00 C ATOM 2088 CZ PHE B 208 3.721 12.905 4.433 1.00 0.00 C ATOM 0 H PHE B 208 0.160 15.150 1.101 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.775 13.686 3.232 1.00 0.00 H new ATOM 0 HB2 PHE B 208 0.731 16.241 2.866 1.00 0.00 H new ATOM 0 HB3 PHE B 208 0.076 15.950 4.465 1.00 0.00 H new ATOM 0 HD1 PHE B 208 0.892 14.082 5.833 1.00 0.00 H new ATOM 0 HD2 PHE B 208 2.495 14.827 1.954 1.00 0.00 H new ATOM 0 HE1 PHE B 208 2.803 12.624 6.343 1.00 0.00 H new ATOM 0 HE2 PHE B 208 4.401 13.364 2.461 1.00 0.00 H new ATOM 0 HZ PHE B 208 4.561 12.264 4.656 1.00 0.00 H new HETATM 2098 N NH2 B 209 -3.088 14.516 3.700 1.00 0.00 N TER 2101 NH2 B 209