USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS : no HD1:sc= -0.195 K(o=-0.66,f=-1.7) USER MOD Set 1.2: A 65 MET CE :methyl -133:sc= -0.465 (180deg=-3.31!) USER MOD Set 2.1: A 54 SER OG : rot -148:sc= 0.665 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 0.922 K(o=1.6,f=-1.7) USER MOD Set 3.1: A 45 SER OG : rot 180:sc= 0.457 USER MOD Set 3.2: A 52 THR OG1 : rot 61:sc= 1.23 USER MOD Set 4.1: A 35 GLN : amide:sc= -1.28 K(o=-1.2,f=-3.1!) USER MOD Set 4.2: A 39 SER OG : rot 106:sc= 0.0883 USER MOD Set 5.1: A 20 HIS : no HE2:sc= -6.68! C(o=-7.3!,f=-6.9!) USER MOD Set 5.2: A 109 CYS SG : rot 170:sc= -0.576 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0798 K(o=-0.08,f=-1.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.434 K(o=-0.43,f=-1.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 82:sc= -0.135 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.343) USER MOD Single : A 58 GLN : amide:sc= -0.0435 K(o=-0.043,f=-1.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 42:sc= 1.25 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.304 USER MOD Single : A 62 CYS SG : rot 37:sc= -1.06 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= -0.0403 (180deg=-0.0403) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1 USER MOD Single : A 75 MET CE :methyl 172:sc= 0 (180deg=-0.0582) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -7.18 K(o=-7.2,f=-4.8) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0605 USER MOD Single : A 85 SER OG : rot 21:sc= 0.00393 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -4.3! X(o=-4.3!,f=-4.4) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.795! USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -123:sc=-0.00263 (180deg=-0.369) USER MOD Single : A 114 SER OG : rot 41:sc= 0.161 USER MOD Single : A 117 SER OG : rot 32:sc= 0.185 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.937 -0.714 -20.179 1.00 0.00 N ATOM 2 CA GLY A 1 18.586 -1.986 -19.917 1.00 0.00 C ATOM 3 C GLY A 1 18.088 -3.089 -20.830 1.00 0.00 C ATOM 4 O GLY A 1 18.873 -3.727 -21.530 1.00 0.00 O ATOM 0 H1 GLY A 1 18.311 0.007 -19.530 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.122 -0.425 -21.161 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.912 -0.811 -20.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.663 -1.874 -20.042 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.413 -2.272 -18.879 1.00 0.00 H new ATOM 8 N SER A 2 16.778 -3.316 -20.822 1.00 0.00 N ATOM 9 CA SER A 2 16.177 -4.354 -21.650 1.00 0.00 C ATOM 10 C SER A 2 15.206 -3.749 -22.660 1.00 0.00 C ATOM 11 O SER A 2 14.566 -2.733 -22.390 1.00 0.00 O ATOM 12 CB SER A 2 15.448 -5.377 -20.777 1.00 0.00 C ATOM 13 OG SER A 2 16.369 -6.206 -20.088 1.00 0.00 O ATOM 0 H SER A 2 16.113 -2.795 -20.251 1.00 0.00 H new ATOM 0 HA SER A 2 16.977 -4.856 -22.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.811 -4.860 -20.059 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.795 -5.990 -21.398 1.00 0.00 H new ATOM 0 HG SER A 2 15.879 -6.850 -19.535 1.00 0.00 H new ATOM 19 N SER A 3 15.103 -4.380 -23.824 1.00 0.00 N ATOM 20 CA SER A 3 14.213 -3.903 -24.877 1.00 0.00 C ATOM 21 C SER A 3 13.473 -5.065 -25.532 1.00 0.00 C ATOM 22 O SER A 3 14.043 -6.134 -25.754 1.00 0.00 O ATOM 23 CB SER A 3 15.007 -3.130 -25.932 1.00 0.00 C ATOM 24 OG SER A 3 15.978 -3.958 -26.548 1.00 0.00 O ATOM 0 H SER A 3 15.625 -5.223 -24.063 1.00 0.00 H new ATOM 0 HA SER A 3 13.478 -3.237 -24.424 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.327 -2.738 -26.688 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.496 -2.274 -25.468 1.00 0.00 H new ATOM 0 HG SER A 3 16.470 -3.441 -27.219 1.00 0.00 H new ATOM 30 N GLY A 4 12.198 -4.849 -25.839 1.00 0.00 N ATOM 31 CA GLY A 4 11.399 -5.886 -26.465 1.00 0.00 C ATOM 32 C GLY A 4 9.982 -5.930 -25.929 1.00 0.00 C ATOM 33 O GLY A 4 9.740 -6.439 -24.834 1.00 0.00 O ATOM 0 H GLY A 4 11.704 -3.974 -25.665 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.372 -5.719 -27.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.875 -6.853 -26.305 1.00 0.00 H new ATOM 37 N SER A 5 9.042 -5.392 -26.700 1.00 0.00 N ATOM 38 CA SER A 5 7.642 -5.367 -26.293 1.00 0.00 C ATOM 39 C SER A 5 6.935 -6.658 -26.697 1.00 0.00 C ATOM 40 O SER A 5 6.321 -6.736 -27.761 1.00 0.00 O ATOM 41 CB SER A 5 6.929 -4.165 -26.919 1.00 0.00 C ATOM 42 OG SER A 5 5.525 -4.265 -26.758 1.00 0.00 O ATOM 0 H SER A 5 9.225 -4.968 -27.609 1.00 0.00 H new ATOM 0 HA SER A 5 7.606 -5.278 -25.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.287 -3.245 -26.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.173 -4.105 -27.980 1.00 0.00 H new ATOM 0 HG SER A 5 5.093 -3.485 -27.165 1.00 0.00 H new ATOM 48 N SER A 6 7.028 -7.668 -25.838 1.00 0.00 N ATOM 49 CA SER A 6 6.402 -8.958 -26.105 1.00 0.00 C ATOM 50 C SER A 6 4.994 -8.773 -26.663 1.00 0.00 C ATOM 51 O SER A 6 4.146 -8.134 -26.042 1.00 0.00 O ATOM 52 CB SER A 6 6.350 -9.797 -24.827 1.00 0.00 C ATOM 53 OG SER A 6 5.522 -10.935 -24.998 1.00 0.00 O ATOM 0 H SER A 6 7.530 -7.618 -24.952 1.00 0.00 H new ATOM 0 HA SER A 6 7.004 -9.479 -26.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.357 -10.113 -24.555 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.973 -9.189 -24.004 1.00 0.00 H new ATOM 0 HG SER A 6 5.506 -11.456 -24.168 1.00 0.00 H new ATOM 59 N GLY A 7 4.753 -9.338 -27.843 1.00 0.00 N ATOM 60 CA GLY A 7 3.447 -9.224 -28.466 1.00 0.00 C ATOM 61 C GLY A 7 2.901 -7.811 -28.415 1.00 0.00 C ATOM 62 O GLY A 7 3.654 -6.844 -28.514 1.00 0.00 O ATOM 0 H GLY A 7 5.438 -9.872 -28.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.514 -9.547 -29.505 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.750 -9.898 -27.967 1.00 0.00 H new ATOM 66 N GLY A 8 1.586 -7.691 -28.262 1.00 0.00 N ATOM 67 CA GLY A 8 0.962 -6.383 -28.204 1.00 0.00 C ATOM 68 C GLY A 8 -0.243 -6.356 -27.285 1.00 0.00 C ATOM 69 O GLY A 8 -1.167 -7.154 -27.439 1.00 0.00 O ATOM 0 H GLY A 8 0.942 -8.477 -28.177 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.693 -5.650 -27.862 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.657 -6.085 -29.207 1.00 0.00 H new ATOM 73 N GLN A 9 -0.233 -5.436 -26.325 1.00 0.00 N ATOM 74 CA GLN A 9 -1.333 -5.311 -25.377 1.00 0.00 C ATOM 75 C GLN A 9 -2.459 -4.459 -25.957 1.00 0.00 C ATOM 76 O GLN A 9 -2.500 -3.245 -25.756 1.00 0.00 O ATOM 77 CB GLN A 9 -0.837 -4.696 -24.066 1.00 0.00 C ATOM 78 CG GLN A 9 -0.234 -5.712 -23.109 1.00 0.00 C ATOM 79 CD GLN A 9 -0.002 -5.140 -21.724 1.00 0.00 C ATOM 80 OE1 GLN A 9 -0.929 -5.029 -20.922 1.00 0.00 O ATOM 81 NE2 GLN A 9 1.242 -4.775 -21.435 1.00 0.00 N ATOM 0 H GLN A 9 0.524 -4.767 -26.184 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.723 -6.309 -25.178 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.091 -3.934 -24.291 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.669 -4.193 -23.573 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.896 -6.575 -23.036 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.713 -6.070 -23.514 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.980 -4.885 -22.130 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.459 -4.385 -20.518 1.00 0.00 H new ATOM 90 N LEU A 10 -3.369 -5.104 -26.677 1.00 0.00 N ATOM 91 CA LEU A 10 -4.496 -4.406 -27.288 1.00 0.00 C ATOM 92 C LEU A 10 -5.695 -4.381 -26.346 1.00 0.00 C ATOM 93 O LEU A 10 -6.606 -5.201 -26.462 1.00 0.00 O ATOM 94 CB LEU A 10 -4.884 -5.078 -28.607 1.00 0.00 C ATOM 95 CG LEU A 10 -3.823 -5.054 -29.708 1.00 0.00 C ATOM 96 CD1 LEU A 10 -4.118 -6.116 -30.756 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.751 -3.675 -30.349 1.00 0.00 C ATOM 0 H LEU A 10 -3.350 -6.109 -26.853 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.191 -3.379 -27.487 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.142 -6.117 -28.401 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.785 -4.595 -28.987 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.855 -5.275 -29.259 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.353 -6.084 -31.532 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.119 -7.100 -30.287 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.094 -5.926 -31.202 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.991 -3.676 -31.130 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.719 -3.425 -30.784 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.492 -2.935 -29.592 1.00 0.00 H new ATOM 109 N ALA A 11 -5.690 -3.432 -25.415 1.00 0.00 N ATOM 110 CA ALA A 11 -6.780 -3.297 -24.456 1.00 0.00 C ATOM 111 C ALA A 11 -6.991 -1.837 -24.069 1.00 0.00 C ATOM 112 O ALA A 11 -6.131 -0.992 -24.307 1.00 0.00 O ATOM 113 CB ALA A 11 -6.502 -4.138 -23.219 1.00 0.00 C ATOM 0 H ALA A 11 -4.944 -2.746 -25.305 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.694 -3.657 -24.928 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.324 -4.028 -22.512 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.408 -5.186 -23.505 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.575 -3.804 -22.753 1.00 0.00 H new ATOM 119 N GLN A 12 -8.143 -1.550 -23.471 1.00 0.00 N ATOM 120 CA GLN A 12 -8.469 -0.192 -23.052 1.00 0.00 C ATOM 121 C GLN A 12 -7.966 0.077 -21.638 1.00 0.00 C ATOM 122 O GLN A 12 -8.171 -0.731 -20.732 1.00 0.00 O ATOM 123 CB GLN A 12 -9.980 0.039 -23.122 1.00 0.00 C ATOM 124 CG GLN A 12 -10.783 -0.940 -22.281 1.00 0.00 C ATOM 125 CD GLN A 12 -12.262 -0.611 -22.258 1.00 0.00 C ATOM 126 OE1 GLN A 12 -12.772 0.077 -23.142 1.00 0.00 O ATOM 127 NE2 GLN A 12 -12.963 -1.103 -21.242 1.00 0.00 N ATOM 0 H GLN A 12 -8.866 -2.240 -23.266 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.972 0.500 -23.732 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.200 1.054 -22.792 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.303 -0.036 -24.160 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.645 -1.948 -22.672 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.398 -0.938 -21.261 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.501 -1.669 -20.530 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.963 -0.915 -21.174 1.00 0.00 H new ATOM 136 N ASP A 13 -7.306 1.215 -21.456 1.00 0.00 N ATOM 137 CA ASP A 13 -6.774 1.591 -20.151 1.00 0.00 C ATOM 138 C ASP A 13 -7.889 1.668 -19.112 1.00 0.00 C ATOM 139 O ASP A 13 -8.582 2.678 -19.005 1.00 0.00 O ATOM 140 CB ASP A 13 -6.049 2.934 -20.240 1.00 0.00 C ATOM 141 CG ASP A 13 -4.937 2.925 -21.271 1.00 0.00 C ATOM 142 OD1 ASP A 13 -3.809 2.520 -20.923 1.00 0.00 O ATOM 143 OD2 ASP A 13 -5.195 3.324 -22.426 1.00 0.00 O ATOM 0 H ASP A 13 -7.126 1.894 -22.196 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.064 0.824 -19.840 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.767 3.715 -20.491 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.633 3.185 -19.264 1.00 0.00 H new ATOM 148 N GLY A 14 -8.054 0.592 -18.348 1.00 0.00 N ATOM 149 CA GLY A 14 -9.086 0.558 -17.328 1.00 0.00 C ATOM 150 C GLY A 14 -8.542 0.848 -15.944 1.00 0.00 C ATOM 151 O GLY A 14 -9.004 0.277 -14.956 1.00 0.00 O ATOM 0 H GLY A 14 -7.492 -0.256 -18.417 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.858 1.288 -17.572 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.562 -0.422 -17.330 1.00 0.00 H new ATOM 155 N VAL A 15 -7.556 1.736 -15.870 1.00 0.00 N ATOM 156 CA VAL A 15 -6.948 2.100 -14.596 1.00 0.00 C ATOM 157 C VAL A 15 -6.654 3.595 -14.535 1.00 0.00 C ATOM 158 O VAL A 15 -6.146 4.193 -15.483 1.00 0.00 O ATOM 159 CB VAL A 15 -5.641 1.321 -14.355 1.00 0.00 C ATOM 160 CG1 VAL A 15 -4.632 1.621 -15.452 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.068 1.654 -12.986 1.00 0.00 C ATOM 0 H VAL A 15 -7.161 2.217 -16.678 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.665 1.841 -13.817 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.863 0.254 -14.381 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.715 1.062 -15.266 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.046 1.328 -16.417 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.411 2.688 -15.461 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.145 1.095 -12.832 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.859 2.722 -12.929 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.789 1.384 -12.214 1.00 0.00 H new ATOM 171 N PRO A 16 -6.982 4.215 -13.391 1.00 0.00 N ATOM 172 CA PRO A 16 -6.761 5.649 -13.177 1.00 0.00 C ATOM 173 C PRO A 16 -5.281 5.996 -13.057 1.00 0.00 C ATOM 174 O PRO A 16 -4.424 5.114 -13.081 1.00 0.00 O ATOM 175 CB PRO A 16 -7.484 5.925 -11.856 1.00 0.00 C ATOM 176 CG PRO A 16 -7.492 4.615 -11.148 1.00 0.00 C ATOM 177 CD PRO A 16 -7.591 3.566 -12.219 1.00 0.00 C ATOM 0 HA PRO A 16 -7.126 6.247 -14.012 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.966 6.687 -11.273 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.497 6.288 -12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.585 4.485 -10.557 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.334 4.549 -10.458 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.058 2.657 -11.941 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.626 3.283 -12.409 1.00 0.00 H new ATOM 185 N GLU A 17 -4.989 7.286 -12.928 1.00 0.00 N ATOM 186 CA GLU A 17 -3.612 7.749 -12.805 1.00 0.00 C ATOM 187 C GLU A 17 -3.123 7.625 -11.365 1.00 0.00 C ATOM 188 O GLU A 17 -1.976 7.253 -11.117 1.00 0.00 O ATOM 189 CB GLU A 17 -3.493 9.201 -13.272 1.00 0.00 C ATOM 190 CG GLU A 17 -4.335 10.172 -12.460 1.00 0.00 C ATOM 191 CD GLU A 17 -4.806 11.360 -13.277 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.521 11.146 -14.278 1.00 0.00 O ATOM 193 OE2 GLU A 17 -4.460 12.503 -12.913 1.00 0.00 O ATOM 0 H GLU A 17 -5.687 8.029 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.987 7.120 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.448 9.507 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.790 9.263 -14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.201 9.647 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.754 10.528 -11.610 1.00 0.00 H new ATOM 200 N TRP A 18 -4.001 7.941 -10.419 1.00 0.00 N ATOM 201 CA TRP A 18 -3.660 7.866 -9.004 1.00 0.00 C ATOM 202 C TRP A 18 -3.274 6.445 -8.611 1.00 0.00 C ATOM 203 O TRP A 18 -2.623 6.227 -7.589 1.00 0.00 O ATOM 204 CB TRP A 18 -4.834 8.343 -8.148 1.00 0.00 C ATOM 205 CG TRP A 18 -6.118 7.630 -8.452 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.113 8.053 -9.287 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.545 6.371 -7.922 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.132 7.133 -9.308 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.808 6.091 -8.479 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.983 5.452 -7.033 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.515 4.931 -8.173 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.687 4.301 -6.730 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.942 4.048 -7.299 1.00 0.00 C ATOM 0 H TRP A 18 -4.954 8.252 -10.607 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.804 8.517 -8.829 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.588 8.202 -7.096 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.975 9.413 -8.301 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.100 8.976 -9.848 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.991 7.212 -9.852 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.016 5.637 -6.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.483 4.735 -8.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.262 3.585 -6.043 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.467 3.139 -7.043 1.00 0.00 H new ATOM 224 N PHE A 19 -3.678 5.478 -9.429 1.00 0.00 N ATOM 225 CA PHE A 19 -3.374 4.076 -9.166 1.00 0.00 C ATOM 226 C PHE A 19 -2.092 3.655 -9.878 1.00 0.00 C ATOM 227 O PHE A 19 -2.128 3.166 -11.008 1.00 0.00 O ATOM 228 CB PHE A 19 -4.536 3.188 -9.615 1.00 0.00 C ATOM 229 CG PHE A 19 -4.379 1.748 -9.218 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.850 1.298 -7.995 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.760 0.845 -10.067 1.00 0.00 C ATOM 232 CE1 PHE A 19 -4.705 -0.026 -7.626 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.613 -0.480 -9.704 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.087 -0.916 -8.482 1.00 0.00 C ATOM 0 H PHE A 19 -4.217 5.640 -10.280 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.228 3.956 -8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.463 3.574 -9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.632 3.249 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.336 1.990 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.388 1.181 -11.024 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.075 -0.364 -6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.128 -1.174 -10.375 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.974 -1.951 -8.196 1.00 0.00 H new ATOM 244 N HIS A 20 -0.959 3.849 -9.210 1.00 0.00 N ATOM 245 CA HIS A 20 0.334 3.489 -9.779 1.00 0.00 C ATOM 246 C HIS A 20 0.654 2.020 -9.516 1.00 0.00 C ATOM 247 O HIS A 20 1.806 1.657 -9.284 1.00 0.00 O ATOM 248 CB HIS A 20 1.436 4.375 -9.195 1.00 0.00 C ATOM 249 CG HIS A 20 1.237 5.835 -9.464 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.181 6.620 -10.089 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.192 6.651 -9.190 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.727 7.857 -10.188 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.521 7.902 -9.649 1.00 0.00 N ATOM 0 H HIS A 20 -0.911 4.253 -8.275 1.00 0.00 H new ATOM 0 HA HIS A 20 0.285 3.645 -10.857 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.486 4.216 -8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.396 4.066 -9.608 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.089 6.297 -10.423 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.729 6.370 -8.701 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.252 8.689 -10.633 1.00 0.00 H new ATOM 261 N GLY A 21 -0.376 1.180 -9.554 1.00 0.00 N ATOM 262 CA GLY A 21 -0.184 -0.238 -9.317 1.00 0.00 C ATOM 263 C GLY A 21 0.609 -0.514 -8.055 1.00 0.00 C ATOM 264 O GLY A 21 0.527 0.240 -7.086 1.00 0.00 O ATOM 0 H GLY A 21 -1.339 1.456 -9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.156 -0.726 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.332 -0.679 -10.170 1.00 0.00 H new ATOM 268 N ALA A 22 1.377 -1.598 -8.066 1.00 0.00 N ATOM 269 CA ALA A 22 2.188 -1.972 -6.914 1.00 0.00 C ATOM 270 C ALA A 22 3.599 -1.405 -7.030 1.00 0.00 C ATOM 271 O ALA A 22 4.529 -2.106 -7.430 1.00 0.00 O ATOM 272 CB ALA A 22 2.235 -3.486 -6.770 1.00 0.00 C ATOM 0 H ALA A 22 1.455 -2.233 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 22 1.726 -1.548 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.844 -3.751 -5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.224 -3.870 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.670 -3.924 -7.668 1.00 0.00 H new ATOM 278 N ILE A 23 3.752 -0.133 -6.676 1.00 0.00 N ATOM 279 CA ILE A 23 5.049 0.527 -6.741 1.00 0.00 C ATOM 280 C ILE A 23 5.834 0.325 -5.449 1.00 0.00 C ATOM 281 O ILE A 23 5.302 -0.184 -4.462 1.00 0.00 O ATOM 282 CB ILE A 23 4.903 2.036 -7.008 1.00 0.00 C ATOM 283 CG1 ILE A 23 3.946 2.665 -5.993 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.409 2.277 -8.428 1.00 0.00 C ATOM 285 CD1 ILE A 23 3.892 4.175 -6.068 1.00 0.00 C ATOM 0 H ILE A 23 2.993 0.461 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 23 5.592 0.072 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 23 5.880 2.506 -6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.945 2.265 -6.154 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.249 2.370 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.311 3.349 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.123 1.858 -9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.440 1.797 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.194 4.552 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.884 4.584 -5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.559 4.478 -7.061 1.00 0.00 H new ATOM 297 N SER A 24 7.100 0.729 -5.461 1.00 0.00 N ATOM 298 CA SER A 24 7.958 0.592 -4.290 1.00 0.00 C ATOM 299 C SER A 24 7.881 1.836 -3.411 1.00 0.00 C ATOM 300 O SER A 24 7.285 2.843 -3.793 1.00 0.00 O ATOM 301 CB SER A 24 9.405 0.344 -4.719 1.00 0.00 C ATOM 302 OG SER A 24 9.491 -0.740 -5.627 1.00 0.00 O ATOM 0 H SER A 24 7.555 1.154 -6.269 1.00 0.00 H new ATOM 0 HA SER A 24 7.607 -0.262 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.809 1.244 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.017 0.136 -3.841 1.00 0.00 H new ATOM 0 HG SER A 24 10.426 -0.876 -5.886 1.00 0.00 H new ATOM 308 N ARG A 25 8.488 1.758 -2.231 1.00 0.00 N ATOM 309 CA ARG A 25 8.488 2.877 -1.296 1.00 0.00 C ATOM 310 C ARG A 25 9.162 4.099 -1.912 1.00 0.00 C ATOM 311 O ARG A 25 8.698 5.226 -1.742 1.00 0.00 O ATOM 312 CB ARG A 25 9.203 2.486 -0.001 1.00 0.00 C ATOM 313 CG ARG A 25 8.700 3.236 1.222 1.00 0.00 C ATOM 314 CD ARG A 25 9.413 4.569 1.389 1.00 0.00 C ATOM 315 NE ARG A 25 10.755 4.407 1.942 1.00 0.00 N ATOM 316 CZ ARG A 25 10.998 4.219 3.235 1.00 0.00 C ATOM 317 NH1 ARG A 25 9.997 4.170 4.102 1.00 0.00 N ATOM 318 NH2 ARG A 25 12.247 4.080 3.662 1.00 0.00 N ATOM 0 H ARG A 25 8.986 0.932 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 25 7.452 3.130 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.080 1.416 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.271 2.670 -0.116 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.627 3.405 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.852 2.626 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.477 5.069 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.827 5.214 2.043 1.00 0.00 H new ATOM 0 HE ARG A 25 11.548 4.440 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.036 4.277 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.188 4.026 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.020 4.117 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.434 3.936 4.654 1.00 0.00 H new ATOM 332 N GLU A 26 10.258 3.868 -2.628 1.00 0.00 N ATOM 333 CA GLU A 26 10.995 4.952 -3.267 1.00 0.00 C ATOM 334 C GLU A 26 10.224 5.504 -4.463 1.00 0.00 C ATOM 335 O GLU A 26 10.219 6.709 -4.710 1.00 0.00 O ATOM 336 CB GLU A 26 12.374 4.465 -3.717 1.00 0.00 C ATOM 337 CG GLU A 26 12.320 3.353 -4.751 1.00 0.00 C ATOM 338 CD GLU A 26 13.551 2.468 -4.721 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.624 2.960 -4.313 1.00 0.00 O ATOM 340 OE2 GLU A 26 13.441 1.285 -5.106 1.00 0.00 O ATOM 0 H GLU A 26 10.655 2.941 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 26 11.120 5.751 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.930 5.307 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.928 4.113 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.434 2.743 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.216 3.790 -5.744 1.00 0.00 H new ATOM 347 N ASP A 27 9.573 4.611 -5.202 1.00 0.00 N ATOM 348 CA ASP A 27 8.797 5.007 -6.371 1.00 0.00 C ATOM 349 C ASP A 27 7.692 5.985 -5.985 1.00 0.00 C ATOM 350 O ASP A 27 7.585 7.072 -6.553 1.00 0.00 O ATOM 351 CB ASP A 27 8.192 3.777 -7.048 1.00 0.00 C ATOM 352 CG ASP A 27 9.163 3.102 -7.998 1.00 0.00 C ATOM 353 OD1 ASP A 27 9.501 3.713 -9.033 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.585 1.964 -7.705 1.00 0.00 O ATOM 0 H ASP A 27 9.568 3.609 -5.012 1.00 0.00 H new ATOM 0 HA ASP A 27 9.469 5.504 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.879 3.064 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.297 4.071 -7.596 1.00 0.00 H new ATOM 359 N ALA A 28 6.871 5.590 -5.017 1.00 0.00 N ATOM 360 CA ALA A 28 5.775 6.432 -4.554 1.00 0.00 C ATOM 361 C ALA A 28 6.284 7.798 -4.104 1.00 0.00 C ATOM 362 O ALA A 28 5.744 8.831 -4.498 1.00 0.00 O ATOM 363 CB ALA A 28 5.025 5.748 -3.422 1.00 0.00 C ATOM 0 H ALA A 28 6.944 4.692 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 28 5.090 6.585 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.209 6.389 -3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.620 4.800 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.707 5.565 -2.592 1.00 0.00 H new ATOM 369 N GLU A 29 7.324 7.794 -3.278 1.00 0.00 N ATOM 370 CA GLU A 29 7.903 9.033 -2.774 1.00 0.00 C ATOM 371 C GLU A 29 8.501 9.857 -3.912 1.00 0.00 C ATOM 372 O GLU A 29 8.385 11.081 -3.933 1.00 0.00 O ATOM 373 CB GLU A 29 8.980 8.732 -1.729 1.00 0.00 C ATOM 374 CG GLU A 29 8.419 8.407 -0.355 1.00 0.00 C ATOM 375 CD GLU A 29 9.505 8.206 0.686 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.659 7.935 0.295 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.198 8.319 1.891 1.00 0.00 O ATOM 0 H GLU A 29 7.783 6.947 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 29 7.106 9.612 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.584 7.893 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.645 9.592 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.760 9.214 -0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.811 7.505 -0.419 1.00 0.00 H new ATOM 384 N ASN A 30 9.140 9.174 -4.856 1.00 0.00 N ATOM 385 CA ASN A 30 9.757 9.842 -5.997 1.00 0.00 C ATOM 386 C ASN A 30 8.698 10.343 -6.972 1.00 0.00 C ATOM 387 O ASN A 30 8.900 11.338 -7.669 1.00 0.00 O ATOM 388 CB ASN A 30 10.717 8.889 -6.713 1.00 0.00 C ATOM 389 CG ASN A 30 12.113 8.923 -6.122 1.00 0.00 C ATOM 390 OD1 ASN A 30 12.351 9.566 -5.100 1.00 0.00 O ATOM 391 ND2 ASN A 30 13.044 8.227 -6.764 1.00 0.00 N ATOM 0 H ASN A 30 9.244 8.159 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 30 10.317 10.700 -5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.326 7.873 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.766 9.153 -7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.002 8.211 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.802 7.708 -7.608 1.00 0.00 H new ATOM 398 N LEU A 31 7.567 9.647 -7.016 1.00 0.00 N ATOM 399 CA LEU A 31 6.472 10.021 -7.907 1.00 0.00 C ATOM 400 C LEU A 31 5.804 11.310 -7.437 1.00 0.00 C ATOM 401 O LEU A 31 5.281 12.079 -8.243 1.00 0.00 O ATOM 402 CB LEU A 31 5.440 8.895 -7.979 1.00 0.00 C ATOM 403 CG LEU A 31 5.658 7.853 -9.077 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.002 6.533 -8.699 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.118 8.358 -10.406 1.00 0.00 C ATOM 0 H LEU A 31 7.384 8.821 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 31 6.886 10.190 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.424 8.382 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.455 9.340 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 31 6.730 7.685 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.168 5.804 -9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.437 6.164 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.931 6.685 -8.563 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.282 7.604 -11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.050 8.556 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.635 9.277 -10.683 1.00 0.00 H new ATOM 417 N LEU A 32 5.828 11.538 -6.128 1.00 0.00 N ATOM 418 CA LEU A 32 5.227 12.736 -5.550 1.00 0.00 C ATOM 419 C LEU A 32 6.262 13.845 -5.397 1.00 0.00 C ATOM 420 O LEU A 32 5.948 15.024 -5.553 1.00 0.00 O ATOM 421 CB LEU A 32 4.603 12.412 -4.192 1.00 0.00 C ATOM 422 CG LEU A 32 3.504 11.349 -4.193 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.131 10.965 -2.770 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.282 11.848 -4.950 1.00 0.00 C ATOM 0 H LEU A 32 6.256 10.910 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 32 4.447 13.085 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.396 12.085 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.191 13.331 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 32 3.884 10.461 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.347 10.208 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.007 10.566 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.770 11.845 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.509 11.079 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.901 12.751 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.559 12.072 -5.980 1.00 0.00 H new ATOM 436 N GLU A 33 7.496 13.457 -5.092 1.00 0.00 N ATOM 437 CA GLU A 33 8.578 14.420 -4.919 1.00 0.00 C ATOM 438 C GLU A 33 8.587 15.438 -6.056 1.00 0.00 C ATOM 439 O GLU A 33 8.685 16.643 -5.823 1.00 0.00 O ATOM 440 CB GLU A 33 9.926 13.700 -4.854 1.00 0.00 C ATOM 441 CG GLU A 33 10.633 13.608 -6.195 1.00 0.00 C ATOM 442 CD GLU A 33 11.988 12.935 -6.097 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.680 13.139 -5.078 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.355 12.202 -7.039 1.00 0.00 O ATOM 0 H GLU A 33 7.772 12.484 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 33 8.412 14.950 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.572 14.220 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.772 12.694 -4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.007 13.054 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.758 14.610 -6.605 1.00 0.00 H new ATOM 451 N SER A 34 8.486 14.944 -7.285 1.00 0.00 N ATOM 452 CA SER A 34 8.487 15.809 -8.460 1.00 0.00 C ATOM 453 C SER A 34 7.072 16.271 -8.795 1.00 0.00 C ATOM 454 O SER A 34 6.761 16.562 -9.950 1.00 0.00 O ATOM 455 CB SER A 34 9.095 15.077 -9.658 1.00 0.00 C ATOM 456 OG SER A 34 9.727 15.986 -10.542 1.00 0.00 O ATOM 0 H SER A 34 8.402 13.949 -7.494 1.00 0.00 H new ATOM 0 HA SER A 34 9.093 16.687 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.819 14.341 -9.309 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.315 14.531 -10.189 1.00 0.00 H new ATOM 0 HG SER A 34 10.109 15.494 -11.299 1.00 0.00 H new ATOM 462 N GLN A 35 6.219 16.334 -7.778 1.00 0.00 N ATOM 463 CA GLN A 35 4.838 16.759 -7.964 1.00 0.00 C ATOM 464 C GLN A 35 4.484 17.895 -7.011 1.00 0.00 C ATOM 465 O GLN A 35 5.094 18.066 -5.955 1.00 0.00 O ATOM 466 CB GLN A 35 3.886 15.580 -7.749 1.00 0.00 C ATOM 467 CG GLN A 35 3.901 14.571 -8.886 1.00 0.00 C ATOM 468 CD GLN A 35 3.411 15.159 -10.194 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.400 15.861 -10.233 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.126 14.873 -11.276 1.00 0.00 N ATOM 0 H GLN A 35 6.461 16.096 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 35 4.731 17.122 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.152 15.073 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.872 15.960 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.915 14.194 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.276 13.719 -8.619 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.957 14.287 -11.198 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.844 15.239 -12.185 1.00 0.00 H new ATOM 479 N PRO A 36 3.473 18.693 -7.389 1.00 0.00 N ATOM 480 CA PRO A 36 3.015 19.826 -6.580 1.00 0.00 C ATOM 481 C PRO A 36 2.315 19.381 -5.301 1.00 0.00 C ATOM 482 O PRO A 36 1.685 18.323 -5.262 1.00 0.00 O ATOM 483 CB PRO A 36 2.031 20.547 -7.506 1.00 0.00 C ATOM 484 CG PRO A 36 1.545 19.491 -8.438 1.00 0.00 C ATOM 485 CD PRO A 36 2.700 18.548 -8.633 1.00 0.00 C ATOM 0 HA PRO A 36 3.844 20.450 -6.246 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.208 20.988 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.518 21.359 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.682 18.971 -8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.230 19.923 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.361 17.522 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.293 18.815 -9.508 1.00 0.00 H new ATOM 493 N LEU A 37 2.428 20.194 -4.257 1.00 0.00 N ATOM 494 CA LEU A 37 1.804 19.883 -2.975 1.00 0.00 C ATOM 495 C LEU A 37 0.343 19.487 -3.162 1.00 0.00 C ATOM 496 O LEU A 37 -0.411 20.165 -3.858 1.00 0.00 O ATOM 497 CB LEU A 37 1.901 21.086 -2.034 1.00 0.00 C ATOM 498 CG LEU A 37 1.906 20.769 -0.538 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.640 20.021 -0.147 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.140 19.961 -0.167 1.00 0.00 C ATOM 0 H LEU A 37 2.945 21.073 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 37 2.336 19.040 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.812 21.635 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.064 21.752 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 37 1.934 21.709 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.661 19.804 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.231 20.635 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.582 19.087 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.126 19.745 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.144 19.025 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.036 20.533 -0.410 1.00 0.00 H new ATOM 512 N GLY A 38 -0.050 18.383 -2.533 1.00 0.00 N ATOM 513 CA GLY A 38 -1.420 17.915 -2.640 1.00 0.00 C ATOM 514 C GLY A 38 -1.538 16.655 -3.473 1.00 0.00 C ATOM 515 O GLY A 38 -2.438 15.842 -3.257 1.00 0.00 O ATOM 0 H GLY A 38 0.556 17.804 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.815 17.725 -1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.035 18.699 -3.083 1.00 0.00 H new ATOM 519 N SER A 39 -0.629 16.492 -4.429 1.00 0.00 N ATOM 520 CA SER A 39 -0.639 15.322 -5.301 1.00 0.00 C ATOM 521 C SER A 39 -0.790 14.040 -4.490 1.00 0.00 C ATOM 522 O SER A 39 0.080 13.691 -3.691 1.00 0.00 O ATOM 523 CB SER A 39 0.646 15.267 -6.130 1.00 0.00 C ATOM 524 OG SER A 39 0.889 16.504 -6.776 1.00 0.00 O ATOM 0 H SER A 39 0.123 17.154 -4.620 1.00 0.00 H new ATOM 0 HA SER A 39 -1.493 15.408 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.489 15.018 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.569 14.474 -6.874 1.00 0.00 H new ATOM 0 HG SER A 39 1.621 16.972 -6.322 1.00 0.00 H new ATOM 530 N PHE A 40 -1.901 13.342 -4.698 1.00 0.00 N ATOM 531 CA PHE A 40 -2.168 12.098 -3.986 1.00 0.00 C ATOM 532 C PHE A 40 -2.070 10.900 -4.926 1.00 0.00 C ATOM 533 O PHE A 40 -2.342 11.012 -6.123 1.00 0.00 O ATOM 534 CB PHE A 40 -3.555 12.142 -3.342 1.00 0.00 C ATOM 535 CG PHE A 40 -4.680 12.004 -4.328 1.00 0.00 C ATOM 536 CD1 PHE A 40 -5.063 10.756 -4.792 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.352 13.123 -4.792 1.00 0.00 C ATOM 538 CE1 PHE A 40 -6.097 10.626 -5.699 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.387 13.000 -5.699 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.760 11.750 -6.154 1.00 0.00 C ATOM 0 H PHE A 40 -2.632 13.617 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.415 11.987 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.629 11.343 -2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.667 13.084 -2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.547 9.875 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.064 14.103 -4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.387 9.647 -6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.904 13.880 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.568 11.651 -6.864 1.00 0.00 H new ATOM 550 N LEU A 41 -1.680 9.755 -4.378 1.00 0.00 N ATOM 551 CA LEU A 41 -1.544 8.535 -5.168 1.00 0.00 C ATOM 552 C LEU A 41 -1.649 7.298 -4.280 1.00 0.00 C ATOM 553 O LEU A 41 -1.434 7.371 -3.070 1.00 0.00 O ATOM 554 CB LEU A 41 -0.208 8.532 -5.912 1.00 0.00 C ATOM 555 CG LEU A 41 1.010 8.090 -5.101 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.109 8.887 -3.809 1.00 0.00 C ATOM 557 CD2 LEU A 41 0.944 6.599 -4.807 1.00 0.00 C ATOM 0 H LEU A 41 -1.452 9.645 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.356 8.508 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.299 7.878 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.023 9.538 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 41 1.905 8.283 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.982 8.559 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.206 9.947 -4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.211 8.727 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.819 6.303 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.041 6.380 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.924 6.044 -5.745 1.00 0.00 H new ATOM 569 N ILE A 42 -1.978 6.165 -4.891 1.00 0.00 N ATOM 570 CA ILE A 42 -2.107 4.912 -4.157 1.00 0.00 C ATOM 571 C ILE A 42 -1.210 3.832 -4.753 1.00 0.00 C ATOM 572 O ILE A 42 -0.863 3.879 -5.932 1.00 0.00 O ATOM 573 CB ILE A 42 -3.563 4.410 -4.153 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.465 5.402 -3.414 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.646 3.032 -3.514 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.940 5.165 -3.647 1.00 0.00 C ATOM 0 H ILE A 42 -2.160 6.089 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.798 5.113 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.908 4.332 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.260 5.341 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.213 6.415 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.681 2.691 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.030 2.332 -4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.286 3.085 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.519 5.904 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.159 5.255 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.206 4.165 -3.305 1.00 0.00 H new ATOM 588 N ARG A 43 -0.840 2.859 -3.928 1.00 0.00 N ATOM 589 CA ARG A 43 0.016 1.765 -4.371 1.00 0.00 C ATOM 590 C ARG A 43 -0.326 0.473 -3.635 1.00 0.00 C ATOM 591 O ARG A 43 -0.365 0.439 -2.405 1.00 0.00 O ATOM 592 CB ARG A 43 1.487 2.118 -4.148 1.00 0.00 C ATOM 593 CG ARG A 43 1.836 2.380 -2.693 1.00 0.00 C ATOM 594 CD ARG A 43 3.091 3.232 -2.565 1.00 0.00 C ATOM 595 NE ARG A 43 3.431 3.500 -1.171 1.00 0.00 N ATOM 596 CZ ARG A 43 3.906 2.579 -0.339 1.00 0.00 C ATOM 597 NH1 ARG A 43 4.096 1.336 -0.761 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.192 2.901 0.915 1.00 0.00 N ATOM 0 H ARG A 43 -1.120 2.806 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.156 1.611 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.108 1.303 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.733 3.002 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.002 2.882 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.985 1.432 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.925 2.724 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.943 4.176 -3.090 1.00 0.00 H new ATOM 0 HE ARG A 43 3.297 4.447 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.877 1.086 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.461 0.630 -0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.047 3.856 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.557 2.193 1.553 1.00 0.00 H new ATOM 612 N VAL A 44 -0.572 -0.589 -4.396 1.00 0.00 N ATOM 613 CA VAL A 44 -0.910 -1.883 -3.816 1.00 0.00 C ATOM 614 C VAL A 44 0.112 -2.297 -2.763 1.00 0.00 C ATOM 615 O VAL A 44 1.317 -2.283 -3.013 1.00 0.00 O ATOM 616 CB VAL A 44 -0.989 -2.979 -4.896 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.358 -4.316 -4.274 1.00 0.00 C ATOM 618 CG2 VAL A 44 -1.989 -2.590 -5.975 1.00 0.00 C ATOM 0 H VAL A 44 -0.543 -0.578 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.888 -1.774 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.008 -3.080 -5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.409 -5.078 -5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.602 -4.597 -3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.328 -4.234 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.033 -3.375 -6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.975 -2.461 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.677 -1.655 -6.441 1.00 0.00 H new ATOM 628 N SER A 45 -0.378 -2.666 -1.584 1.00 0.00 N ATOM 629 CA SER A 45 0.492 -3.080 -0.490 1.00 0.00 C ATOM 630 C SER A 45 1.021 -4.493 -0.722 1.00 0.00 C ATOM 631 O SER A 45 0.512 -5.227 -1.571 1.00 0.00 O ATOM 632 CB SER A 45 -0.260 -3.017 0.842 1.00 0.00 C ATOM 633 OG SER A 45 -0.772 -1.716 1.076 1.00 0.00 O ATOM 0 H SER A 45 -1.373 -2.687 -1.362 1.00 0.00 H new ATOM 0 HA SER A 45 1.339 -2.394 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.078 -3.738 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.409 -3.300 1.655 1.00 0.00 H new ATOM 0 HG SER A 45 -1.249 -1.701 1.932 1.00 0.00 H new ATOM 639 N HIS A 46 2.042 -4.868 0.041 1.00 0.00 N ATOM 640 CA HIS A 46 2.641 -6.193 -0.081 1.00 0.00 C ATOM 641 C HIS A 46 2.677 -6.898 1.272 1.00 0.00 C ATOM 642 O HIS A 46 2.161 -8.006 1.419 1.00 0.00 O ATOM 643 CB HIS A 46 4.055 -6.088 -0.652 1.00 0.00 C ATOM 644 CG HIS A 46 4.087 -5.812 -2.124 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.040 -6.808 -3.077 1.00 0.00 N ATOM 646 CD2 HIS A 46 4.160 -4.645 -2.805 1.00 0.00 C ATOM 647 CE1 HIS A 46 4.085 -6.264 -4.281 1.00 0.00 C ATOM 648 NE2 HIS A 46 4.157 -4.952 -4.143 1.00 0.00 N ATOM 0 H HIS A 46 2.472 -4.274 0.750 1.00 0.00 H new ATOM 0 HA HIS A 46 2.026 -6.781 -0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.591 -5.295 -0.130 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.588 -7.018 -0.453 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.980 -7.808 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.211 -3.655 -2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.066 -6.801 -5.218 1.00 0.00 H new ATOM 656 N SER A 47 3.291 -6.249 2.256 1.00 0.00 N ATOM 657 CA SER A 47 3.399 -6.817 3.595 1.00 0.00 C ATOM 658 C SER A 47 2.041 -7.306 4.089 1.00 0.00 C ATOM 659 O SER A 47 1.900 -8.449 4.524 1.00 0.00 O ATOM 660 CB SER A 47 3.965 -5.779 4.567 1.00 0.00 C ATOM 661 OG SER A 47 3.967 -6.273 5.895 1.00 0.00 O ATOM 0 H SER A 47 3.721 -5.330 2.152 1.00 0.00 H new ATOM 0 HA SER A 47 4.077 -7.669 3.548 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.981 -5.516 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.371 -4.866 4.516 1.00 0.00 H new ATOM 0 HG SER A 47 4.334 -5.592 6.497 1.00 0.00 H new ATOM 667 N HIS A 48 1.043 -6.430 4.019 1.00 0.00 N ATOM 668 CA HIS A 48 -0.306 -6.771 4.458 1.00 0.00 C ATOM 669 C HIS A 48 -1.309 -6.590 3.324 1.00 0.00 C ATOM 670 O HIS A 48 -1.316 -5.563 2.645 1.00 0.00 O ATOM 671 CB HIS A 48 -0.709 -5.908 5.654 1.00 0.00 C ATOM 672 CG HIS A 48 -1.384 -4.629 5.269 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.692 -3.495 4.894 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.696 -4.305 5.199 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.550 -2.531 4.613 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.774 -2.997 4.789 1.00 0.00 N ATOM 0 H HIS A 48 1.143 -5.479 3.663 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.310 -7.819 4.758 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.376 -6.482 6.297 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.180 -5.678 6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.528 -4.955 5.424 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.295 -1.531 4.294 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.636 -2.471 4.644 1.00 0.00 H new ATOM 684 N VAL A 49 -2.156 -7.595 3.122 1.00 0.00 N ATOM 685 CA VAL A 49 -3.165 -7.545 2.071 1.00 0.00 C ATOM 686 C VAL A 49 -3.965 -6.250 2.137 1.00 0.00 C ATOM 687 O VAL A 49 -4.534 -5.911 3.173 1.00 0.00 O ATOM 688 CB VAL A 49 -4.133 -8.740 2.165 1.00 0.00 C ATOM 689 CG1 VAL A 49 -4.798 -8.781 3.531 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.173 -8.671 1.058 1.00 0.00 C ATOM 0 H VAL A 49 -2.163 -8.454 3.673 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.634 -7.591 1.120 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.562 -9.660 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.478 -9.631 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.036 -8.882 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.358 -7.859 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.848 -9.523 1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.742 -7.746 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.675 -8.695 0.089 1.00 0.00 H new ATOM 700 N GLY A 50 -4.006 -5.528 1.020 1.00 0.00 N ATOM 701 CA GLY A 50 -4.740 -4.277 0.972 1.00 0.00 C ATOM 702 C GLY A 50 -4.068 -3.244 0.090 1.00 0.00 C ATOM 703 O GLY A 50 -3.473 -3.583 -0.933 1.00 0.00 O ATOM 0 H GLY A 50 -3.544 -5.788 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.748 -4.465 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.839 -3.879 1.982 1.00 0.00 H new ATOM 707 N TYR A 51 -4.162 -1.980 0.485 1.00 0.00 N ATOM 708 CA TYR A 51 -3.562 -0.892 -0.278 1.00 0.00 C ATOM 709 C TYR A 51 -2.912 0.131 0.649 1.00 0.00 C ATOM 710 O TYR A 51 -3.009 0.029 1.872 1.00 0.00 O ATOM 711 CB TYR A 51 -4.617 -0.209 -1.149 1.00 0.00 C ATOM 712 CG TYR A 51 -5.329 -1.154 -2.091 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.201 -2.123 -1.608 1.00 0.00 C ATOM 714 CD2 TYR A 51 -5.129 -1.080 -3.464 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.853 -2.988 -2.464 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.777 -1.940 -4.328 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.639 -2.893 -3.824 1.00 0.00 C ATOM 718 OH TYR A 51 -7.285 -3.754 -4.681 1.00 0.00 O ATOM 0 H TYR A 51 -4.649 -1.683 1.331 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.790 -1.316 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.353 0.271 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.140 0.580 -1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.371 -2.200 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.455 -0.336 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.527 -3.735 -2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.610 -1.867 -5.393 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.025 -3.553 -5.604 1.00 0.00 H new ATOM 728 N THR A 52 -2.247 1.117 0.055 1.00 0.00 N ATOM 729 CA THR A 52 -1.579 2.159 0.826 1.00 0.00 C ATOM 730 C THR A 52 -1.733 3.520 0.158 1.00 0.00 C ATOM 731 O THR A 52 -1.109 3.794 -0.869 1.00 0.00 O ATOM 732 CB THR A 52 -0.080 1.854 1.003 1.00 0.00 C ATOM 733 OG1 THR A 52 0.088 0.643 1.749 1.00 0.00 O ATOM 734 CG2 THR A 52 0.625 2.997 1.718 1.00 0.00 C ATOM 0 H THR A 52 -2.157 1.216 -0.956 1.00 0.00 H new ATOM 0 HA THR A 52 -2.055 2.181 1.806 1.00 0.00 H new ATOM 0 HB THR A 52 0.363 1.737 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.321 -0.102 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.682 2.758 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.520 3.911 1.134 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.178 3.141 2.702 1.00 0.00 H new ATOM 742 N LEU A 53 -2.566 4.373 0.745 1.00 0.00 N ATOM 743 CA LEU A 53 -2.801 5.707 0.207 1.00 0.00 C ATOM 744 C LEU A 53 -1.711 6.676 0.656 1.00 0.00 C ATOM 745 O LEU A 53 -1.189 6.566 1.764 1.00 0.00 O ATOM 746 CB LEU A 53 -4.172 6.223 0.649 1.00 0.00 C ATOM 747 CG LEU A 53 -4.399 7.729 0.511 1.00 0.00 C ATOM 748 CD1 LEU A 53 -4.930 8.064 -0.875 1.00 0.00 C ATOM 749 CD2 LEU A 53 -5.355 8.225 1.585 1.00 0.00 C ATOM 0 H LEU A 53 -3.090 4.163 1.595 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.778 5.642 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.937 5.706 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.322 5.947 1.693 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.443 8.235 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.086 9.140 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.209 7.745 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.876 7.548 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.505 9.299 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.312 7.713 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.934 8.020 2.569 1.00 0.00 H new ATOM 761 N SER A 54 -1.376 7.625 -0.212 1.00 0.00 N ATOM 762 CA SER A 54 -0.346 8.611 0.094 1.00 0.00 C ATOM 763 C SER A 54 -0.579 9.900 -0.689 1.00 0.00 C ATOM 764 O SER A 54 -1.365 9.931 -1.636 1.00 0.00 O ATOM 765 CB SER A 54 1.040 8.051 -0.225 1.00 0.00 C ATOM 766 OG SER A 54 1.367 6.975 0.638 1.00 0.00 O ATOM 0 H SER A 54 -1.803 7.732 -1.132 1.00 0.00 H new ATOM 0 HA SER A 54 -0.401 8.837 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.069 7.712 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.786 8.840 -0.126 1.00 0.00 H new ATOM 0 HG SER A 54 2.335 6.959 0.788 1.00 0.00 H new ATOM 772 N TYR A 55 0.110 10.962 -0.286 1.00 0.00 N ATOM 773 CA TYR A 55 -0.022 12.255 -0.949 1.00 0.00 C ATOM 774 C TYR A 55 0.960 13.267 -0.368 1.00 0.00 C ATOM 775 O TYR A 55 1.252 13.252 0.828 1.00 0.00 O ATOM 776 CB TYR A 55 -1.452 12.778 -0.810 1.00 0.00 C ATOM 777 CG TYR A 55 -1.846 13.093 0.616 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.521 14.314 1.194 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.545 12.170 1.384 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.877 14.606 2.495 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.907 12.454 2.687 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.571 13.673 3.238 1.00 0.00 C ATOM 783 OH TYR A 55 -2.930 13.961 4.535 1.00 0.00 O ATOM 0 H TYR A 55 0.765 10.954 0.496 1.00 0.00 H new ATOM 0 HA TYR A 55 0.207 12.119 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.561 13.678 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.142 12.037 -1.213 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.980 15.048 0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.810 11.215 0.955 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.614 15.559 2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.450 11.725 3.271 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.753 14.494 4.536 1.00 0.00 H new ATOM 793 N LYS A 56 1.468 14.146 -1.225 1.00 0.00 N ATOM 794 CA LYS A 56 2.418 15.169 -0.799 1.00 0.00 C ATOM 795 C LYS A 56 1.767 16.141 0.181 1.00 0.00 C ATOM 796 O LYS A 56 0.770 16.785 -0.140 1.00 0.00 O ATOM 797 CB LYS A 56 2.952 15.933 -2.012 1.00 0.00 C ATOM 798 CG LYS A 56 4.313 16.566 -1.780 1.00 0.00 C ATOM 799 CD LYS A 56 5.441 15.624 -2.166 1.00 0.00 C ATOM 800 CE LYS A 56 6.785 16.125 -1.660 1.00 0.00 C ATOM 801 NZ LYS A 56 7.401 17.102 -2.600 1.00 0.00 N ATOM 0 H LYS A 56 1.238 14.171 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 56 3.247 14.673 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.017 15.252 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.239 16.712 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.391 17.485 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.412 16.843 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.244 14.633 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.475 15.521 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.655 16.592 -0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.459 15.280 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.413 17.201 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.288 16.763 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.933 18.025 -2.497 1.00 0.00 H new ATOM 815 N ALA A 57 2.340 16.240 1.376 1.00 0.00 N ATOM 816 CA ALA A 57 1.819 17.135 2.401 1.00 0.00 C ATOM 817 C ALA A 57 2.813 18.247 2.717 1.00 0.00 C ATOM 818 O ALA A 57 4.024 18.028 2.709 1.00 0.00 O ATOM 819 CB ALA A 57 1.479 16.354 3.662 1.00 0.00 C ATOM 0 H ALA A 57 3.165 15.711 1.658 1.00 0.00 H new ATOM 0 HA ALA A 57 0.909 17.596 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.091 17.036 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.725 15.601 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.377 15.865 4.040 1.00 0.00 H new ATOM 825 N GLN A 58 2.294 19.439 2.994 1.00 0.00 N ATOM 826 CA GLN A 58 3.138 20.584 3.311 1.00 0.00 C ATOM 827 C GLN A 58 4.372 20.151 4.093 1.00 0.00 C ATOM 828 O GLN A 58 5.476 20.639 3.851 1.00 0.00 O ATOM 829 CB GLN A 58 2.348 21.621 4.113 1.00 0.00 C ATOM 830 CG GLN A 58 1.557 22.587 3.247 1.00 0.00 C ATOM 831 CD GLN A 58 2.432 23.646 2.607 1.00 0.00 C ATOM 832 OE1 GLN A 58 3.497 23.985 3.123 1.00 0.00 O ATOM 833 NE2 GLN A 58 1.986 24.177 1.474 1.00 0.00 N ATOM 0 H GLN A 58 1.293 19.636 3.005 1.00 0.00 H new ATOM 0 HA GLN A 58 3.465 21.033 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.663 21.104 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.039 22.188 4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.039 22.029 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.792 23.071 3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.097 23.867 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.532 24.895 0.997 1.00 0.00 H new ATOM 842 N SER A 59 4.178 19.232 5.034 1.00 0.00 N ATOM 843 CA SER A 59 5.276 18.736 5.856 1.00 0.00 C ATOM 844 C SER A 59 6.163 17.783 5.060 1.00 0.00 C ATOM 845 O SER A 59 7.315 18.095 4.760 1.00 0.00 O ATOM 846 CB SER A 59 4.732 18.026 7.098 1.00 0.00 C ATOM 847 OG SER A 59 3.814 18.851 7.795 1.00 0.00 O ATOM 0 H SER A 59 3.271 18.816 5.246 1.00 0.00 H new ATOM 0 HA SER A 59 5.877 19.590 6.168 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.242 17.098 6.805 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.557 17.756 7.757 1.00 0.00 H new ATOM 0 HG SER A 59 3.479 18.375 8.583 1.00 0.00 H new ATOM 853 N SER A 60 5.617 16.620 4.721 1.00 0.00 N ATOM 854 CA SER A 60 6.358 15.619 3.963 1.00 0.00 C ATOM 855 C SER A 60 5.435 14.498 3.495 1.00 0.00 C ATOM 856 O SER A 60 4.301 14.378 3.960 1.00 0.00 O ATOM 857 CB SER A 60 7.491 15.041 4.814 1.00 0.00 C ATOM 858 OG SER A 60 8.677 15.803 4.672 1.00 0.00 O ATOM 0 H SER A 60 4.663 16.347 4.959 1.00 0.00 H new ATOM 0 HA SER A 60 6.784 16.105 3.085 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.190 15.023 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.681 14.009 4.519 1.00 0.00 H new ATOM 0 HG SER A 60 8.454 16.757 4.671 1.00 0.00 H new ATOM 864 N CYS A 61 5.930 13.680 2.572 1.00 0.00 N ATOM 865 CA CYS A 61 5.150 12.569 2.039 1.00 0.00 C ATOM 866 C CYS A 61 4.582 11.712 3.167 1.00 0.00 C ATOM 867 O CYS A 61 5.300 11.334 4.094 1.00 0.00 O ATOM 868 CB CYS A 61 6.014 11.709 1.115 1.00 0.00 C ATOM 869 SG CYS A 61 6.522 12.544 -0.406 1.00 0.00 S ATOM 0 H CYS A 61 6.867 13.765 2.178 1.00 0.00 H new ATOM 0 HA CYS A 61 4.319 12.982 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.904 11.392 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.462 10.806 0.854 1.00 0.00 H new ATOM 0 HG CYS A 61 7.250 11.739 -1.121 1.00 0.00 H new ATOM 875 N CYS A 62 3.291 11.412 3.081 1.00 0.00 N ATOM 876 CA CYS A 62 2.626 10.602 4.096 1.00 0.00 C ATOM 877 C CYS A 62 2.258 9.229 3.542 1.00 0.00 C ATOM 878 O CYS A 62 2.028 9.108 2.339 1.00 0.00 O ATOM 879 CB CYS A 62 1.371 11.313 4.605 1.00 0.00 C ATOM 880 SG CYS A 62 1.705 12.852 5.494 1.00 0.00 S ATOM 0 H CYS A 62 2.684 11.717 2.320 1.00 0.00 H new ATOM 0 HA CYS A 62 3.319 10.465 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.720 11.529 3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.825 10.637 5.263 1.00 0.00 H new ATOM 0 HG CYS A 62 2.702 13.469 4.933 1.00 0.00 H new ATOM 886 N HIS A 63 2.213 8.237 4.419 1.00 0.00 N ATOM 887 CA HIS A 63 1.875 6.887 4.004 1.00 0.00 C ATOM 888 C HIS A 63 0.827 6.305 4.953 1.00 0.00 C ATOM 889 O HIS A 63 1.074 6.072 6.136 1.00 0.00 O ATOM 890 CB HIS A 63 3.131 6.019 3.904 1.00 0.00 C ATOM 891 CG HIS A 63 4.139 6.510 2.892 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.047 6.222 1.542 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.258 7.274 3.048 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.071 6.790 0.922 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.821 7.441 1.857 1.00 0.00 N ATOM 0 H HIS A 63 2.405 8.342 5.415 1.00 0.00 H new ATOM 0 HA HIS A 63 1.438 6.909 3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.607 5.974 4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.837 5.002 3.645 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.624 7.675 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.276 6.745 -0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.674 7.969 1.672 1.00 0.00 H new ATOM 903 N PHE A 64 -0.362 6.073 4.404 1.00 0.00 N ATOM 904 CA PHE A 64 -1.467 5.521 5.178 1.00 0.00 C ATOM 905 C PHE A 64 -1.802 4.106 4.715 1.00 0.00 C ATOM 906 O PHE A 64 -1.981 3.859 3.522 1.00 0.00 O ATOM 907 CB PHE A 64 -2.702 6.417 5.055 1.00 0.00 C ATOM 908 CG PHE A 64 -2.398 7.879 5.206 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.949 8.622 4.125 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.562 8.512 6.427 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.669 9.969 4.260 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.283 9.858 6.568 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.836 10.588 5.484 1.00 0.00 C ATOM 0 H PHE A 64 -0.584 6.259 3.426 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.160 5.479 6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.168 6.249 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.430 6.125 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.816 8.143 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.912 7.947 7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.320 10.537 3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.414 10.339 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.618 11.640 5.593 1.00 0.00 H new ATOM 923 N MET A 65 -1.886 3.182 5.666 1.00 0.00 N ATOM 924 CA MET A 65 -2.200 1.792 5.356 1.00 0.00 C ATOM 925 C MET A 65 -3.708 1.583 5.269 1.00 0.00 C ATOM 926 O MET A 65 -4.469 2.147 6.055 1.00 0.00 O ATOM 927 CB MET A 65 -1.604 0.863 6.415 1.00 0.00 C ATOM 928 CG MET A 65 -2.364 0.876 7.731 1.00 0.00 C ATOM 929 SD MET A 65 -1.984 -0.552 8.766 1.00 0.00 S ATOM 930 CE MET A 65 -2.900 -1.837 7.918 1.00 0.00 C ATOM 0 H MET A 65 -1.741 3.370 6.658 1.00 0.00 H new ATOM 0 HA MET A 65 -1.761 1.553 4.387 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.586 -0.155 6.025 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.569 1.152 6.599 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.124 1.789 8.276 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.435 0.898 7.528 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.469 -2.418 8.644 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.584 -1.383 7.201 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.206 -2.493 7.393 1.00 0.00 H new ATOM 940 N VAL A 66 -4.135 0.767 4.311 1.00 0.00 N ATOM 941 CA VAL A 66 -5.552 0.481 4.122 1.00 0.00 C ATOM 942 C VAL A 66 -5.824 -1.018 4.188 1.00 0.00 C ATOM 943 O VAL A 66 -5.317 -1.789 3.374 1.00 0.00 O ATOM 944 CB VAL A 66 -6.059 1.026 2.774 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.537 0.711 2.593 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.810 2.523 2.676 1.00 0.00 C ATOM 0 H VAL A 66 -3.518 0.291 3.652 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.087 0.979 4.931 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.506 0.536 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.878 1.104 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.684 -0.369 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.109 1.172 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.175 2.890 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.335 3.033 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.741 2.720 2.757 1.00 0.00 H new ATOM 956 N LYS A 67 -6.630 -1.424 5.165 1.00 0.00 N ATOM 957 CA LYS A 67 -6.973 -2.830 5.338 1.00 0.00 C ATOM 958 C LYS A 67 -8.213 -3.192 4.525 1.00 0.00 C ATOM 959 O LYS A 67 -8.952 -2.314 4.078 1.00 0.00 O ATOM 960 CB LYS A 67 -7.213 -3.140 6.816 1.00 0.00 C ATOM 961 CG LYS A 67 -6.079 -2.691 7.723 1.00 0.00 C ATOM 962 CD LYS A 67 -6.496 -2.701 9.184 1.00 0.00 C ATOM 963 CE LYS A 67 -7.440 -1.550 9.501 1.00 0.00 C ATOM 964 NZ LYS A 67 -7.876 -1.567 10.926 1.00 0.00 N ATOM 0 H LYS A 67 -7.057 -0.799 5.848 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.136 -3.428 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.136 -2.656 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.359 -4.214 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.220 -3.347 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.762 -1.687 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.983 -3.648 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.611 -2.632 9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.945 -0.604 9.284 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.314 -1.608 8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.518 -0.768 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.371 -2.459 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.044 -1.486 11.545 1.00 0.00 H new ATOM 978 N LEU A 68 -8.433 -4.488 4.337 1.00 0.00 N ATOM 979 CA LEU A 68 -9.584 -4.967 3.579 1.00 0.00 C ATOM 980 C LEU A 68 -10.661 -5.514 4.510 1.00 0.00 C ATOM 981 O LEU A 68 -10.462 -6.532 5.175 1.00 0.00 O ATOM 982 CB LEU A 68 -9.153 -6.049 2.588 1.00 0.00 C ATOM 983 CG LEU A 68 -9.983 -6.155 1.308 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.467 -7.286 0.431 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.453 -6.364 1.641 1.00 0.00 C ATOM 0 H LEU A 68 -7.830 -5.227 4.699 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.001 -4.124 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.115 -5.867 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.182 -7.012 3.097 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.886 -5.220 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.069 -7.347 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.428 -7.094 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.534 -8.228 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.028 -6.437 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.569 -7.284 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.816 -5.521 2.229 1.00 0.00 H new ATOM 997 N LEU A 69 -11.801 -4.834 4.553 1.00 0.00 N ATOM 998 CA LEU A 69 -12.911 -5.253 5.402 1.00 0.00 C ATOM 999 C LEU A 69 -13.547 -6.534 4.873 1.00 0.00 C ATOM 1000 O LEU A 69 -13.294 -6.942 3.739 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.962 -4.145 5.485 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.525 -2.855 6.180 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.920 -3.161 7.541 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.534 -2.092 5.313 1.00 0.00 C ATOM 0 H LEU A 69 -11.981 -3.990 4.010 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.519 -5.449 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.281 -3.898 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.834 -4.538 6.007 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.405 -2.229 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.615 -2.231 8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.660 -3.665 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.051 -3.807 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.234 -1.177 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.656 -2.712 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.002 -1.840 4.361 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.373 -7.165 5.702 1.00 0.00 N ATOM 1017 CA ASP A 70 -15.048 -8.398 5.316 1.00 0.00 C ATOM 1018 C ASP A 70 -16.156 -8.118 4.305 1.00 0.00 C ATOM 1019 O ASP A 70 -16.550 -9.000 3.542 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.628 -9.093 6.549 1.00 0.00 C ATOM 1021 CG ASP A 70 -14.647 -10.059 7.184 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -14.604 -11.230 6.753 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -13.922 -9.642 8.111 1.00 0.00 O ATOM 0 H ASP A 70 -14.591 -6.842 6.645 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.314 -9.055 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.920 -8.341 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.533 -9.631 6.267 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.655 -6.888 4.308 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.718 -6.492 3.392 1.00 0.00 C ATOM 1030 C ASP A 71 -17.144 -6.077 2.040 1.00 0.00 C ATOM 1031 O ASP A 71 -17.735 -5.268 1.325 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.532 -5.342 3.988 1.00 0.00 C ATOM 1033 CG ASP A 71 -18.869 -5.568 5.448 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -18.825 -6.734 5.894 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -19.179 -4.580 6.147 1.00 0.00 O ATOM 0 H ASP A 71 -16.341 -6.147 4.935 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.372 -7.351 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.971 -4.413 3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.454 -5.221 3.420 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.988 -6.637 1.697 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.353 -6.313 0.433 1.00 0.00 C ATOM 1042 C GLY A 72 -15.089 -4.827 0.281 1.00 0.00 C ATOM 1043 O GLY A 72 -15.066 -4.303 -0.833 1.00 0.00 O ATOM 0 H GLY A 72 -15.480 -7.309 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.411 -6.856 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.987 -6.652 -0.386 1.00 0.00 H new ATOM 1047 N THR A 73 -14.889 -4.146 1.405 1.00 0.00 N ATOM 1048 CA THR A 73 -14.628 -2.712 1.393 1.00 0.00 C ATOM 1049 C THR A 73 -13.242 -2.401 1.946 1.00 0.00 C ATOM 1050 O THR A 73 -12.480 -3.307 2.287 1.00 0.00 O ATOM 1051 CB THR A 73 -15.680 -1.943 2.214 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.679 -2.406 3.569 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.067 -2.116 1.613 1.00 0.00 C ATOM 0 H THR A 73 -14.903 -4.565 2.335 1.00 0.00 H new ATOM 0 HA THR A 73 -14.682 -2.389 0.353 1.00 0.00 H new ATOM 0 HB THR A 73 -15.422 -0.884 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.349 -1.911 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.793 -1.564 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.071 -1.735 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.331 -3.173 1.606 1.00 0.00 H new ATOM 1061 N PHE A 74 -12.919 -1.114 2.033 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.624 -0.684 2.544 1.00 0.00 C ATOM 1063 C PHE A 74 -11.782 0.488 3.509 1.00 0.00 C ATOM 1064 O PHE A 74 -12.563 1.407 3.263 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.702 -0.288 1.389 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.723 -1.260 0.244 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -11.639 -1.117 -0.786 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -9.829 -2.317 0.199 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -11.661 -2.009 -1.841 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -9.846 -3.213 -0.853 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.765 -3.060 -1.875 1.00 0.00 C ATOM 0 H PHE A 74 -13.537 -0.351 1.756 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.179 -1.519 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.993 0.697 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.682 -0.201 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -12.344 -0.299 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.110 -2.442 0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.378 -1.885 -2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.142 -4.032 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.782 -3.760 -2.697 1.00 0.00 H new ATOM 1081 N MET A 75 -11.035 0.447 4.607 1.00 0.00 N ATOM 1082 CA MET A 75 -11.091 1.506 5.609 1.00 0.00 C ATOM 1083 C MET A 75 -9.728 1.711 6.261 1.00 0.00 C ATOM 1084 O MET A 75 -9.000 0.750 6.514 1.00 0.00 O ATOM 1085 CB MET A 75 -12.135 1.171 6.677 1.00 0.00 C ATOM 1086 CG MET A 75 -12.041 2.050 7.914 1.00 0.00 C ATOM 1087 SD MET A 75 -13.638 2.294 8.715 1.00 0.00 S ATOM 1088 CE MET A 75 -13.282 3.710 9.753 1.00 0.00 C ATOM 0 H MET A 75 -10.384 -0.307 4.826 1.00 0.00 H new ATOM 0 HA MET A 75 -11.377 2.431 5.108 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.131 1.271 6.245 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.019 0.128 6.972 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.348 1.599 8.624 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.626 3.019 7.636 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.206 4.071 10.205 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.583 3.420 10.538 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.840 4.502 9.149 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.388 2.968 6.529 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.112 3.297 7.151 1.00 0.00 C ATOM 1100 C ILE A 76 -8.191 3.164 8.668 1.00 0.00 C ATOM 1101 O ILE A 76 -9.159 3.581 9.304 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.664 4.726 6.795 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.466 4.860 5.284 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.385 5.081 7.537 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.524 6.289 4.791 1.00 0.00 C ATOM 0 H ILE A 76 -9.978 3.774 6.325 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.380 2.589 6.764 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.444 5.423 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.502 4.429 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.231 4.276 4.772 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.081 6.094 7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.559 5.021 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.596 4.382 7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.376 6.308 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.497 6.718 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.741 6.873 5.275 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.146 2.571 9.266 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.071 2.372 10.716 1.00 0.00 C ATOM 1119 C PRO A 77 -6.885 3.683 11.472 1.00 0.00 C ATOM 1120 O PRO A 77 -5.762 4.070 11.795 1.00 0.00 O ATOM 1121 CB PRO A 77 -5.842 1.475 10.888 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.000 1.754 9.691 1.00 0.00 C ATOM 1123 CD PRO A 77 -5.957 2.050 8.570 1.00 0.00 C ATOM 0 HA PRO A 77 -7.989 1.941 11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.309 1.706 11.810 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.123 0.423 10.938 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.336 2.599 9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.369 0.898 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.546 2.781 7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.189 1.155 7.993 1.00 0.00 H new ATOM 1131 N GLY A 78 -7.992 4.361 11.754 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.929 5.621 12.472 1.00 0.00 C ATOM 1133 C GLY A 78 -9.066 6.554 12.106 1.00 0.00 C ATOM 1134 O GLY A 78 -9.406 7.456 12.869 1.00 0.00 O ATOM 0 H GLY A 78 -8.933 4.061 11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.954 5.426 13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.979 6.110 12.259 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.654 6.337 10.934 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.758 7.168 10.468 1.00 0.00 C ATOM 1140 C GLU A 79 -12.084 6.689 11.052 1.00 0.00 C ATOM 1141 O GLU A 79 -12.120 5.769 11.869 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.826 7.156 8.940 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.701 7.930 8.274 1.00 0.00 C ATOM 1144 CD GLU A 79 -9.861 8.012 6.768 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.408 7.057 6.177 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.441 9.032 6.181 1.00 0.00 O ATOM 0 H GLU A 79 -9.385 5.593 10.290 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.579 8.188 10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.801 6.123 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.781 7.576 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.664 8.938 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.749 7.454 8.509 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.174 7.319 10.626 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.502 6.958 11.104 1.00 0.00 C ATOM 1155 C LYS A 80 -15.444 6.678 9.936 1.00 0.00 C ATOM 1156 O LYS A 80 -16.664 6.669 10.097 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.075 8.078 11.976 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.280 8.327 13.246 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.143 9.306 13.011 1.00 0.00 C ATOM 1160 CE LYS A 80 -13.640 10.743 12.991 1.00 0.00 C ATOM 1161 NZ LYS A 80 -12.527 11.718 13.157 1.00 0.00 N ATOM 0 H LYS A 80 -13.163 8.083 9.950 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.411 6.051 11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.111 8.999 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.102 7.830 12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.942 8.716 14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.878 7.383 13.615 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.394 9.190 13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.653 9.076 12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.154 10.936 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.370 10.886 13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.907 12.686 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.052 11.551 14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.843 11.599 12.382 1.00 0.00 H new ATOM 1175 N VAL A 81 -14.867 6.448 8.761 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.654 6.165 7.567 1.00 0.00 C ATOM 1177 C VAL A 81 -14.942 5.163 6.664 1.00 0.00 C ATOM 1178 O VAL A 81 -13.737 4.946 6.790 1.00 0.00 O ATOM 1179 CB VAL A 81 -15.940 7.448 6.765 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -16.994 8.293 7.465 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.659 8.244 6.558 1.00 0.00 C ATOM 0 H VAL A 81 -13.858 6.452 8.611 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.599 5.739 7.905 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.327 7.164 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.182 9.195 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -17.917 7.721 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -16.638 8.569 8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -14.880 9.147 5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.240 8.518 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.938 7.637 6.010 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.695 4.556 5.754 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.136 3.578 4.827 1.00 0.00 C ATOM 1193 C ALA A 82 -15.625 3.828 3.404 1.00 0.00 C ATOM 1194 O ALA A 82 -16.370 4.775 3.150 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.492 2.168 5.271 1.00 0.00 C ATOM 0 H ALA A 82 -16.694 4.724 5.638 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.051 3.686 4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.069 1.448 4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.087 1.987 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.576 2.057 5.295 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.203 2.972 2.480 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.598 3.099 1.082 1.00 0.00 C ATOM 1203 C HIS A 83 -15.555 1.746 0.379 1.00 0.00 C ATOM 1204 O HIS A 83 -14.923 0.804 0.860 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.685 4.090 0.360 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.425 5.342 1.139 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.240 6.454 1.071 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.437 5.654 2.010 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.761 7.397 1.864 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.668 6.937 2.446 1.00 0.00 N ATOM 0 H HIS A 83 -14.587 2.182 2.674 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.622 3.471 1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.734 3.603 0.142 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.134 4.354 -0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.619 5.014 2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.190 8.377 2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.089 7.450 3.111 1.00 0.00 H new ATOM 1218 N THR A 84 -16.232 1.654 -0.761 1.00 0.00 N ATOM 1219 CA THR A 84 -16.273 0.416 -1.529 1.00 0.00 C ATOM 1220 C THR A 84 -14.928 0.132 -2.188 1.00 0.00 C ATOM 1221 O THR A 84 -14.371 -0.955 -2.044 1.00 0.00 O ATOM 1222 CB THR A 84 -17.364 0.463 -2.615 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.191 1.626 -3.432 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.751 0.478 -1.988 1.00 0.00 C ATOM 0 H THR A 84 -16.760 2.423 -1.173 1.00 0.00 H new ATOM 0 HA THR A 84 -16.506 -0.383 -0.825 1.00 0.00 H new ATOM 0 HB THR A 84 -17.271 -0.431 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 84 -17.887 1.648 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.505 0.511 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 84 -18.890 -0.423 -1.390 1.00 0.00 H new ATOM 0 HG23 THR A 84 -18.853 1.356 -1.350 1.00 0.00 H new ATOM 1232 N SER A 85 -14.410 1.120 -2.912 1.00 0.00 N ATOM 1233 CA SER A 85 -13.131 0.976 -3.597 1.00 0.00 C ATOM 1234 C SER A 85 -12.319 2.264 -3.507 1.00 0.00 C ATOM 1235 O SER A 85 -12.872 3.350 -3.329 1.00 0.00 O ATOM 1236 CB SER A 85 -13.352 0.600 -5.062 1.00 0.00 C ATOM 1237 OG SER A 85 -13.570 -0.793 -5.205 1.00 0.00 O ATOM 0 H SER A 85 -14.857 2.028 -3.039 1.00 0.00 H new ATOM 0 HA SER A 85 -12.572 0.179 -3.106 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.208 1.147 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.485 0.898 -5.652 1.00 0.00 H new ATOM 0 HG SER A 85 -13.862 -1.168 -4.348 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.003 2.135 -3.632 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.112 3.289 -3.566 1.00 0.00 C ATOM 1245 C LEU A 86 -10.757 4.514 -4.208 1.00 0.00 C ATOM 1246 O LEU A 86 -10.744 5.605 -3.638 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.786 2.975 -4.260 1.00 0.00 C ATOM 1248 CG LEU A 86 -7.812 2.090 -3.479 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.819 2.461 -2.005 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -8.162 0.621 -3.664 1.00 0.00 C ATOM 0 H LEU A 86 -10.529 1.244 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.922 3.510 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.003 2.490 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.287 3.917 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.807 2.255 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.121 1.821 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.520 3.503 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.822 2.325 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.459 0.006 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.174 0.440 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.104 0.364 -4.722 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.322 4.323 -5.394 1.00 0.00 N ATOM 1263 CA ASP A 87 -11.977 5.412 -6.113 1.00 0.00 C ATOM 1264 C ASP A 87 -12.910 6.188 -5.189 1.00 0.00 C ATOM 1265 O ASP A 87 -12.719 7.381 -4.957 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.759 4.864 -7.308 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.845 5.859 -8.448 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -11.808 6.468 -8.784 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -13.949 6.029 -9.005 1.00 0.00 O ATOM 0 H ASP A 87 -11.341 3.426 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.206 6.092 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.282 3.950 -7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.765 4.595 -6.988 1.00 0.00 H new ATOM 1274 N ALA A 88 -13.922 5.502 -4.666 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.884 6.127 -3.767 1.00 0.00 C ATOM 1276 C ALA A 88 -14.220 6.557 -2.464 1.00 0.00 C ATOM 1277 O ALA A 88 -14.814 7.278 -1.662 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.037 5.175 -3.485 1.00 0.00 C ATOM 0 H ALA A 88 -14.096 4.514 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.274 7.019 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.748 5.654 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.536 4.921 -4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.654 4.267 -3.020 1.00 0.00 H new ATOM 1284 N LEU A 89 -12.985 6.110 -2.259 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.241 6.449 -1.051 1.00 0.00 C ATOM 1286 C LEU A 89 -11.315 7.636 -1.297 1.00 0.00 C ATOM 1287 O LEU A 89 -10.898 8.316 -0.361 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.428 5.244 -0.575 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.107 5.559 0.128 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.739 4.447 1.097 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -8.997 5.770 -0.892 1.00 0.00 C ATOM 0 H LEU A 89 -12.479 5.513 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.958 6.725 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.047 4.659 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.216 4.611 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.231 6.481 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.796 4.689 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.523 4.344 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.634 3.509 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.064 5.993 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.874 4.866 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.257 6.603 -1.546 1.00 0.00 H new ATOM 1303 N VAL A 90 -10.998 7.880 -2.566 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.124 8.986 -2.936 1.00 0.00 C ATOM 1305 C VAL A 90 -10.887 10.305 -2.958 1.00 0.00 C ATOM 1306 O VAL A 90 -10.392 11.331 -2.491 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.480 8.754 -4.316 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.586 9.927 -4.691 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.695 7.451 -4.325 1.00 0.00 C ATOM 0 H VAL A 90 -11.334 7.326 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.339 9.037 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.273 8.679 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.139 9.746 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.180 10.840 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.797 10.036 -3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.247 7.303 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.909 7.494 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.366 6.621 -4.103 1.00 0.00 H new ATOM 1319 N THR A 91 -12.099 10.273 -3.506 1.00 0.00 N ATOM 1320 CA THR A 91 -12.932 11.466 -3.590 1.00 0.00 C ATOM 1321 C THR A 91 -13.235 12.025 -2.206 1.00 0.00 C ATOM 1322 O THR A 91 -13.007 13.205 -1.937 1.00 0.00 O ATOM 1323 CB THR A 91 -14.259 11.173 -4.316 1.00 0.00 C ATOM 1324 OG1 THR A 91 -14.005 10.809 -5.677 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.177 12.386 -4.272 1.00 0.00 C ATOM 0 H THR A 91 -12.525 9.433 -3.898 1.00 0.00 H new ATOM 0 HA THR A 91 -12.369 12.205 -4.160 1.00 0.00 H new ATOM 0 HB THR A 91 -14.751 10.345 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.854 10.623 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.108 12.157 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.393 12.642 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.689 13.230 -4.759 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.748 11.170 -1.326 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.081 11.579 0.033 1.00 0.00 C ATOM 1335 C PHE A 92 -12.869 12.185 0.731 1.00 0.00 C ATOM 1336 O PHE A 92 -12.993 13.141 1.497 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.602 10.384 0.834 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.292 10.772 2.110 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.572 10.932 3.283 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.662 10.979 2.137 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.205 11.290 4.459 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.301 11.338 3.309 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.570 11.493 4.471 1.00 0.00 C ATOM 0 H PHE A 92 -13.942 10.190 -1.531 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.862 12.338 -0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.295 9.816 0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.768 9.722 1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.503 10.775 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.238 10.858 1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.632 11.411 5.367 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.369 11.497 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.067 11.773 5.388 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.695 11.621 0.463 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.458 12.105 1.066 1.00 0.00 C ATOM 1355 C HIS A 93 -10.218 13.570 0.712 1.00 0.00 C ATOM 1356 O HIS A 93 -9.790 14.359 1.554 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.274 11.256 0.602 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.108 9.987 1.379 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.434 9.871 2.714 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.649 8.771 0.999 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.181 8.641 3.122 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.704 7.953 2.101 1.00 0.00 N ATOM 0 H HIS A 93 -11.575 10.828 -0.168 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.553 12.022 2.149 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.403 11.013 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.361 11.845 0.684 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.812 10.619 3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.304 8.496 0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.338 8.262 4.121 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.497 13.925 -0.539 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.310 15.294 -1.003 1.00 0.00 C ATOM 1372 C GLN A 94 -11.116 16.272 -0.154 1.00 0.00 C ATOM 1373 O GLN A 94 -10.881 17.480 -0.191 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.720 15.418 -2.471 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.598 15.100 -3.445 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.068 15.062 -4.886 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.138 13.997 -5.500 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -10.395 16.227 -5.433 1.00 0.00 N ATOM 0 H GLN A 94 -10.853 13.284 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.253 15.542 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.558 14.748 -2.663 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -11.074 16.432 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.811 15.847 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.158 14.137 -3.185 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.322 17.085 -4.887 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.720 16.264 -6.399 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.065 15.742 0.610 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.905 16.568 1.469 1.00 0.00 C ATOM 1389 C GLN A 95 -12.619 16.293 2.940 1.00 0.00 C ATOM 1390 O GLN A 95 -12.760 17.175 3.787 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.383 16.315 1.168 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.746 16.493 -0.298 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.239 16.629 -0.518 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.856 17.601 -0.080 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.829 15.654 -1.199 1.00 0.00 N ATOM 0 H GLN A 95 -12.272 14.744 0.652 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.673 17.613 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.639 15.302 1.476 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.989 16.994 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.243 17.378 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.375 15.640 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.279 14.867 -1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.832 15.692 -1.378 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.216 15.062 3.239 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.909 14.669 4.609 1.00 0.00 C ATOM 1406 C LYS A 96 -10.475 14.160 4.721 1.00 0.00 C ATOM 1407 O LYS A 96 -10.093 13.168 4.098 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.883 13.588 5.082 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.134 14.142 5.742 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.953 14.293 7.243 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.990 12.944 7.946 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.985 13.092 9.428 1.00 0.00 N ATOM 0 H LYS A 96 -12.095 14.319 2.550 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.015 15.548 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.174 12.975 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.371 12.932 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.379 15.110 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.976 13.480 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.003 14.786 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.738 14.935 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.882 12.398 7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.130 12.350 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.011 12.151 9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.122 13.591 9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.819 13.638 9.725 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.662 14.851 5.533 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.258 14.485 5.746 1.00 0.00 C ATOM 1428 C PRO A 97 -8.111 13.191 6.538 1.00 0.00 C ATOM 1429 O PRO A 97 -9.100 12.534 6.861 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.701 15.667 6.543 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.885 16.250 7.234 1.00 0.00 C ATOM 1432 CD PRO A 97 -10.050 16.042 6.306 1.00 0.00 C ATOM 0 HA PRO A 97 -7.736 14.303 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.946 15.341 7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.226 16.397 5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.057 15.761 8.193 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.734 17.310 7.440 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.977 15.880 6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.209 16.906 5.660 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.869 12.831 6.849 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.594 11.616 7.605 1.00 0.00 C ATOM 1442 C ILE A 98 -6.516 11.905 9.100 1.00 0.00 C ATOM 1443 O ILE A 98 -5.919 12.896 9.520 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.278 10.957 7.151 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.067 11.167 5.650 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.284 9.474 7.488 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.247 10.731 4.808 1.00 0.00 C ATOM 0 H ILE A 98 -6.039 13.363 6.589 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.419 10.930 7.413 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.452 11.427 7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.868 12.222 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.182 10.615 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.347 9.023 7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.392 9.346 8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.117 8.989 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.028 10.909 3.755 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.434 9.669 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.130 11.301 5.096 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.122 11.031 9.898 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.120 11.193 11.347 1.00 0.00 C ATOM 1461 C GLU A 99 -5.811 11.818 11.823 1.00 0.00 C ATOM 1462 O GLU A 99 -5.792 12.876 12.453 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.331 9.842 12.034 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.637 9.728 13.381 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.241 8.650 14.260 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.405 8.811 14.681 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.549 7.644 14.525 1.00 0.00 O ATOM 0 H GLU A 99 -7.620 10.205 9.566 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.940 11.860 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.400 9.676 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.967 9.050 11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.580 9.513 13.224 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.694 10.686 13.897 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.690 11.150 11.516 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.356 11.620 11.902 1.00 0.00 C ATOM 1476 C PRO A 100 -2.938 12.870 11.134 1.00 0.00 C ATOM 1477 O PRO A 100 -2.520 13.864 11.729 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.446 10.442 11.542 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.174 9.718 10.462 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.638 9.882 10.767 1.00 0.00 C ATOM 0 HA PRO A 100 -3.312 11.904 12.954 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.470 10.786 11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.273 9.797 12.404 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.931 10.131 9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.895 8.664 10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.236 9.928 9.857 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.021 9.050 11.358 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.054 12.813 9.811 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.687 13.940 8.964 1.00 0.00 C ATOM 1490 C ARG A 101 -3.913 14.778 8.611 1.00 0.00 C ATOM 1491 O ARG A 101 -4.815 14.313 7.913 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.010 13.445 7.685 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.731 12.662 7.936 1.00 0.00 C ATOM 1494 CD ARG A 101 0.327 13.525 8.606 1.00 0.00 C ATOM 1495 NE ARG A 101 0.212 13.502 10.062 1.00 0.00 N ATOM 1496 CZ ARG A 101 1.172 13.913 10.882 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.313 14.377 10.392 1.00 0.00 N ATOM 1498 NH2 ARG A 101 0.992 13.859 12.195 1.00 0.00 N ATOM 0 H ARG A 101 -3.399 11.998 9.303 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.988 14.566 9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.709 12.816 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.783 14.301 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.949 11.798 8.564 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.345 12.280 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.317 13.175 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.235 14.552 8.251 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.654 13.151 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.455 14.419 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.049 14.692 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.116 13.502 12.575 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.730 14.175 12.824 1.00 0.00 H new ATOM 1512 N ARG A 102 -3.940 16.014 9.099 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.056 16.914 8.837 1.00 0.00 C ATOM 1514 C ARG A 102 -4.870 17.637 7.506 1.00 0.00 C ATOM 1515 O ARG A 102 -5.218 18.810 7.373 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.193 17.934 9.970 1.00 0.00 C ATOM 1517 CG ARG A 102 -3.950 18.787 10.174 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.000 20.054 9.333 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.281 21.157 9.964 1.00 0.00 N ATOM 1520 CZ ARG A 102 -3.049 22.321 9.366 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -3.477 22.530 8.129 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -2.387 23.276 10.006 1.00 0.00 N ATOM 0 H ARG A 102 -3.202 16.415 9.678 1.00 0.00 H new ATOM 0 HA ARG A 102 -5.967 16.318 8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.041 18.586 9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.418 17.407 10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.858 19.051 11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.064 18.209 9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.570 19.855 8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.039 20.343 9.173 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.938 21.027 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.985 21.797 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.298 23.424 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.056 23.117 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.209 24.169 9.547 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.321 16.929 6.525 1.00 0.00 N ATOM 1537 CA GLU A 103 -4.088 17.504 5.206 1.00 0.00 C ATOM 1538 C GLU A 103 -5.043 16.908 4.176 1.00 0.00 C ATOM 1539 O GLU A 103 -5.274 15.698 4.153 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.640 17.268 4.771 1.00 0.00 C ATOM 1541 CG GLU A 103 -2.262 18.000 3.493 1.00 0.00 C ATOM 1542 CD GLU A 103 -2.072 19.489 3.709 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -0.955 19.896 4.088 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -3.043 20.248 3.499 1.00 0.00 O ATOM 0 H GLU A 103 -4.029 15.956 6.619 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.271 18.577 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.972 17.585 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.482 16.199 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.342 17.574 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.038 17.841 2.744 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.598 17.766 3.327 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.530 17.326 2.295 1.00 0.00 C ATOM 1553 C LEU A 104 -5.804 17.078 0.976 1.00 0.00 C ATOM 1554 O LEU A 104 -4.634 17.429 0.824 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.631 18.368 2.095 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.782 18.330 3.102 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.868 19.320 2.708 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.352 16.923 3.207 1.00 0.00 C ATOM 0 H LEU A 104 -5.419 18.770 3.333 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.981 16.389 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.177 19.358 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.045 18.242 1.095 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.395 18.617 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.679 19.279 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.451 20.327 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.253 19.064 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.170 16.915 3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.724 16.608 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.571 16.238 3.536 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.506 16.472 0.025 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.931 16.179 -1.283 1.00 0.00 C ATOM 1572 C LEU A 105 -6.273 17.274 -2.287 1.00 0.00 C ATOM 1573 O LEU A 105 -7.047 18.186 -1.989 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.436 14.828 -1.793 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.375 13.669 -0.797 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.952 12.405 -1.414 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.944 13.435 -0.337 1.00 0.00 C ATOM 0 H LEU A 105 -7.475 16.174 0.135 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.847 16.138 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.470 14.948 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.855 14.555 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.976 13.931 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.900 11.591 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.992 12.578 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.378 12.139 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.920 12.607 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.320 13.195 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.565 14.336 0.146 1.00 0.00 H new ATOM 1589 N THR A 106 -5.693 17.180 -3.479 1.00 0.00 N ATOM 1590 CA THR A 106 -5.936 18.163 -4.528 1.00 0.00 C ATOM 1591 C THR A 106 -6.215 17.483 -5.864 1.00 0.00 C ATOM 1592 O THR A 106 -7.300 17.627 -6.428 1.00 0.00 O ATOM 1593 CB THR A 106 -4.740 19.118 -4.692 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.685 18.465 -5.407 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.228 19.582 -3.336 1.00 0.00 C ATOM 0 H THR A 106 -5.051 16.432 -3.743 1.00 0.00 H new ATOM 0 HA THR A 106 -6.811 18.738 -4.225 1.00 0.00 H new ATOM 0 HB THR A 106 -5.075 19.989 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.929 19.080 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.383 20.256 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.024 20.105 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.910 18.718 -2.752 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.231 16.743 -6.363 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.372 16.040 -7.633 1.00 0.00 C ATOM 1605 C GLN A 107 -4.577 14.739 -7.627 1.00 0.00 C ATOM 1606 O GLN A 107 -3.575 14.598 -6.925 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.906 16.931 -8.786 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.452 17.358 -8.675 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.096 18.473 -9.640 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -3.254 18.332 -10.854 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.614 19.588 -9.105 1.00 0.00 N ATOM 0 H GLN A 107 -4.327 16.614 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.426 15.799 -7.771 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.049 16.399 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.535 17.820 -8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.251 17.687 -7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.809 16.499 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.500 19.661 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.358 20.372 -9.705 1.00 0.00 H new ATOM 1620 N PRO A 108 -5.033 13.762 -8.426 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.380 12.454 -8.530 1.00 0.00 C ATOM 1622 C PRO A 108 -3.030 12.536 -9.235 1.00 0.00 C ATOM 1623 O PRO A 108 -2.864 13.294 -10.192 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.367 11.629 -9.358 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.127 12.633 -10.153 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.223 13.860 -9.289 1.00 0.00 C ATOM 0 HA PRO A 108 -4.164 12.027 -7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.847 10.923 -10.005 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -6.030 11.046 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.617 12.855 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.118 12.258 -10.410 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.214 14.773 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.143 13.870 -8.705 1.00 0.00 H new ATOM 1634 N CYS A 109 -2.070 11.751 -8.759 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.735 11.735 -9.345 1.00 0.00 C ATOM 1636 C CYS A 109 -0.734 10.993 -10.677 1.00 0.00 C ATOM 1637 O CYS A 109 -1.660 10.238 -10.979 1.00 0.00 O ATOM 1638 CB CYS A 109 0.259 11.082 -8.383 1.00 0.00 C ATOM 1639 SG CYS A 109 1.982 11.186 -8.919 1.00 0.00 S ATOM 0 H CYS A 109 -2.191 11.117 -7.969 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.432 12.767 -9.525 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.165 11.554 -7.405 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -0.009 10.033 -8.258 1.00 0.00 H new ATOM 0 HG CYS A 109 2.761 10.802 -7.952 1.00 0.00 H new ATOM 1645 N ARG A 110 0.309 11.212 -11.471 1.00 0.00 N ATOM 1646 CA ARG A 110 0.428 10.567 -12.772 1.00 0.00 C ATOM 1647 C ARG A 110 1.665 9.675 -12.826 1.00 0.00 C ATOM 1648 O ARG A 110 2.761 10.096 -12.456 1.00 0.00 O ATOM 1649 CB ARG A 110 0.495 11.617 -13.882 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.387 12.829 -13.628 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.855 12.508 -13.860 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.606 13.675 -14.315 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.929 14.694 -13.526 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -2.569 14.689 -12.250 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -3.613 15.720 -14.014 1.00 0.00 N ATOM 0 H ARG A 110 1.084 11.832 -11.235 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.454 9.945 -12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.527 11.947 -13.996 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.201 11.156 -14.825 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.246 13.174 -12.604 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.084 13.645 -14.284 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.939 11.712 -14.600 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.294 12.132 -12.936 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.898 13.710 -15.292 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.043 13.901 -11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.818 15.473 -11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.891 15.727 -14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.861 16.502 -13.408 1.00 0.00 H new ATOM 1669 N GLN A 111 1.481 8.442 -13.287 1.00 0.00 N ATOM 1670 CA GLN A 111 2.582 7.492 -13.387 1.00 0.00 C ATOM 1671 C GLN A 111 3.688 8.033 -14.288 1.00 0.00 C ATOM 1672 O GLN A 111 3.425 8.765 -15.242 1.00 0.00 O ATOM 1673 CB GLN A 111 2.079 6.152 -13.926 1.00 0.00 C ATOM 1674 CG GLN A 111 1.843 6.149 -15.427 1.00 0.00 C ATOM 1675 CD GLN A 111 0.893 5.053 -15.868 1.00 0.00 C ATOM 1676 OE1 GLN A 111 1.304 4.070 -16.483 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.387 5.219 -15.553 1.00 0.00 N ATOM 0 H GLN A 111 0.580 8.078 -13.597 1.00 0.00 H new ATOM 0 HA GLN A 111 2.992 7.343 -12.388 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.803 5.376 -13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.149 5.893 -13.420 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.441 7.116 -15.729 1.00 0.00 H new ATOM 0 HG3 GLN A 111 2.797 6.026 -15.940 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.683 6.051 -15.042 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -1.074 4.515 -15.822 1.00 0.00 H new ATOM 1686 N LYS A 112 4.927 7.668 -13.978 1.00 0.00 N ATOM 1687 CA LYS A 112 6.074 8.115 -14.759 1.00 0.00 C ATOM 1688 C LYS A 112 5.765 8.076 -16.252 1.00 0.00 C ATOM 1689 O LYS A 112 5.077 7.174 -16.730 1.00 0.00 O ATOM 1690 CB LYS A 112 7.295 7.242 -14.457 1.00 0.00 C ATOM 1691 CG LYS A 112 7.772 7.341 -13.019 1.00 0.00 C ATOM 1692 CD LYS A 112 8.421 8.685 -12.738 1.00 0.00 C ATOM 1693 CE LYS A 112 9.927 8.632 -12.950 1.00 0.00 C ATOM 1694 NZ LYS A 112 10.307 9.034 -14.332 1.00 0.00 N ATOM 0 H LYS A 112 5.163 7.063 -13.191 1.00 0.00 H new ATOM 0 HA LYS A 112 6.293 9.145 -14.478 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.052 6.203 -14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.110 7.529 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.929 7.195 -12.344 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.485 6.542 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.987 9.443 -13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.207 8.986 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.418 9.289 -12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.286 7.622 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.848 8.267 -14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.448 9.222 -14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.891 9.894 -14.295 1.00 0.00 H new ATOM 1708 N ASP A 113 6.279 9.058 -16.984 1.00 0.00 N ATOM 1709 CA ASP A 113 6.059 9.133 -18.424 1.00 0.00 C ATOM 1710 C ASP A 113 6.680 7.934 -19.132 1.00 0.00 C ATOM 1711 O ASP A 113 7.788 7.510 -18.801 1.00 0.00 O ATOM 1712 CB ASP A 113 6.645 10.431 -18.983 1.00 0.00 C ATOM 1713 CG ASP A 113 5.926 10.900 -20.233 1.00 0.00 C ATOM 1714 OD1 ASP A 113 5.588 10.045 -21.079 1.00 0.00 O ATOM 1715 OD2 ASP A 113 5.701 12.120 -20.365 1.00 0.00 O ATOM 0 H ASP A 113 6.851 9.813 -16.605 1.00 0.00 H new ATOM 0 HA ASP A 113 4.984 9.121 -18.604 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.589 11.209 -18.222 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.701 10.282 -19.209 1.00 0.00 H new ATOM 1720 N SER A 114 5.960 7.391 -20.109 1.00 0.00 N ATOM 1721 CA SER A 114 6.438 6.237 -20.860 1.00 0.00 C ATOM 1722 C SER A 114 5.479 5.894 -21.996 1.00 0.00 C ATOM 1723 O SER A 114 4.297 5.639 -21.770 1.00 0.00 O ATOM 1724 CB SER A 114 6.602 5.030 -19.934 1.00 0.00 C ATOM 1725 OG SER A 114 5.415 4.785 -19.201 1.00 0.00 O ATOM 0 H SER A 114 5.043 7.732 -20.399 1.00 0.00 H new ATOM 0 HA SER A 114 7.407 6.490 -21.289 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.858 4.149 -20.522 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.429 5.205 -19.246 1.00 0.00 H new ATOM 0 HG SER A 114 4.638 4.912 -19.785 1.00 0.00 H new ATOM 1731 N GLY A 115 5.999 5.890 -23.221 1.00 0.00 N ATOM 1732 CA GLY A 115 5.176 5.575 -24.374 1.00 0.00 C ATOM 1733 C GLY A 115 5.975 4.960 -25.506 1.00 0.00 C ATOM 1734 O GLY A 115 7.054 5.434 -25.863 1.00 0.00 O ATOM 0 H GLY A 115 6.974 6.099 -23.434 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.386 4.886 -24.075 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.690 6.484 -24.729 1.00 0.00 H new ATOM 1738 N PRO A 116 5.443 3.876 -26.089 1.00 0.00 N ATOM 1739 CA PRO A 116 6.097 3.170 -27.195 1.00 0.00 C ATOM 1740 C PRO A 116 6.097 3.986 -28.484 1.00 0.00 C ATOM 1741 O PRO A 116 7.137 4.162 -29.118 1.00 0.00 O ATOM 1742 CB PRO A 116 5.249 1.907 -27.361 1.00 0.00 C ATOM 1743 CG PRO A 116 3.908 2.279 -26.830 1.00 0.00 C ATOM 1744 CD PRO A 116 4.160 3.256 -25.716 1.00 0.00 C ATOM 0 HA PRO A 116 7.148 2.969 -26.986 1.00 0.00 H new ATOM 0 HB2 PRO A 116 5.191 1.604 -28.406 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.675 1.069 -26.809 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.290 2.726 -27.609 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.375 1.401 -26.466 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.363 3.996 -25.642 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.221 2.756 -24.749 1.00 0.00 H new ATOM 1752 N SER A 117 4.924 4.481 -28.865 1.00 0.00 N ATOM 1753 CA SER A 117 4.789 5.274 -30.081 1.00 0.00 C ATOM 1754 C SER A 117 5.190 6.726 -29.831 1.00 0.00 C ATOM 1755 O SER A 117 4.651 7.385 -28.943 1.00 0.00 O ATOM 1756 CB SER A 117 3.350 5.214 -30.598 1.00 0.00 C ATOM 1757 OG SER A 117 2.436 5.678 -29.619 1.00 0.00 O ATOM 0 H SER A 117 4.054 4.347 -28.350 1.00 0.00 H new ATOM 0 HA SER A 117 5.456 4.854 -30.834 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.259 5.819 -31.500 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.102 4.189 -30.875 1.00 0.00 H new ATOM 0 HG SER A 117 2.865 6.369 -29.072 1.00 0.00 H new ATOM 1763 N SER A 118 6.142 7.213 -30.618 1.00 0.00 N ATOM 1764 CA SER A 118 6.620 8.585 -30.481 1.00 0.00 C ATOM 1765 C SER A 118 5.833 9.528 -31.384 1.00 0.00 C ATOM 1766 O SER A 118 5.617 10.691 -31.049 1.00 0.00 O ATOM 1767 CB SER A 118 8.111 8.664 -30.817 1.00 0.00 C ATOM 1768 OG SER A 118 8.736 9.722 -30.113 1.00 0.00 O ATOM 0 H SER A 118 6.599 6.679 -31.358 1.00 0.00 H new ATOM 0 HA SER A 118 6.471 8.893 -29.446 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.594 7.720 -30.565 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.238 8.811 -31.889 1.00 0.00 H new ATOM 0 HG SER A 118 9.688 9.751 -30.343 1.00 0.00 H new ATOM 1774 N GLY A 119 5.406 9.017 -32.536 1.00 0.00 N ATOM 1775 CA GLY A 119 4.648 9.826 -33.472 1.00 0.00 C ATOM 1776 C GLY A 119 5.268 9.848 -34.854 1.00 0.00 C ATOM 1777 O GLY A 119 6.325 9.259 -35.077 1.00 0.00 O ATOM 0 H GLY A 119 5.572 8.057 -32.837 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.631 9.440 -33.540 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.578 10.845 -33.092 1.00 0.00 H new TER 1781 GLY A 119