USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 836 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 112 GLN :FLIP amide:sc= 0 F(o=-2.8!,f=0) USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 69 THR OG1 : rot -170:sc= 0.577 USER MOD Set 2.2: A 82 GLN : amide:sc= -3.2 K(o=-5.1,f=-6.2!) USER MOD Set 2.3: A 84 ASN : amide:sc= -2.53 K(o=-5.1,f=-14!) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 31 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 1 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.12) USER MOD Single : A 1 GLN N :NH3+ 177:sc= -0.274 (180deg=-0.285) USER MOD Single : A 3 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.38) USER MOD Single : A 5 GLN : amide:sc= -0.406 K(o=-0.41,f=-6.2!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00974 USER MOD Single : A 21 SER OG : rot -51:sc= -0.843 USER MOD Single : A 25 SER OG : rot 2:sc= -0.691! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.402 USER MOD Single : A 32 TYR OH : rot -150:sc= -1.09 USER MOD Single : A 34 MET CE :methyl -159:sc= 0 (180deg=-1.04) USER MOD Single : A 39 GLN : amide:sc= -3.07 K(o=-3.1,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 62:sc= 1.31 USER MOD Single : A 52 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.77) USER MOD Single : A 55 SER OG : rot 180:sc= -0.155 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 152:sc= -2.72! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0579 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -2.56 X(o=-2.6,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.845 (180deg=-3.44!) USER MOD Single : A 78 THR OG1 : rot -140:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 83 MET CE :methyl -147:sc= -6.73! (180deg=-10.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -118:sc= -0.82 (180deg=-2.32!) USER MOD Single : A 91 THR OG1 : rot 169:sc= -4.13! USER MOD Single : A 94 TYR OH : rot 30:sc= -0.32 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -70:sc= -5.48 USER MOD Single : A 109 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.1!) USER MOD Single : A 111 THR OG1 : rot -102:sc= -1.26 USER MOD Single : A 116 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 13.691 11.719 4.678 1.00 0.00 N ATOM 2 CA GLN A 1 12.950 12.813 3.996 1.00 0.00 C ATOM 3 C GLN A 1 12.617 12.442 2.554 1.00 0.00 C ATOM 4 O GLN A 1 12.427 13.315 1.707 1.00 0.00 O ATOM 5 CB GLN A 1 13.810 14.078 4.031 1.00 0.00 C ATOM 6 CG GLN A 1 13.635 14.899 5.298 1.00 0.00 C ATOM 7 CD GLN A 1 14.512 14.411 6.435 1.00 0.00 C ATOM 8 OE1 GLN A 1 14.027 14.130 7.531 1.00 0.00 O ATOM 9 NE2 GLN A 1 15.811 14.309 6.179 1.00 0.00 N ATOM 0 H1 GLN A 1 13.948 12.020 5.640 1.00 0.00 H new ATOM 0 H2 GLN A 1 13.090 10.872 4.729 1.00 0.00 H new ATOM 0 H3 GLN A 1 14.555 11.498 4.142 1.00 0.00 H new ATOM 0 HA GLN A 1 12.007 12.983 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 1 14.859 13.797 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 1 13.564 14.698 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 1 13.869 15.942 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 1 12.591 14.863 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 1 16.170 14.553 5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 1 16.450 13.987 6.906 1.00 0.00 H new ATOM 20 N VAL A 2 12.548 11.142 2.281 1.00 0.00 N ATOM 21 CA VAL A 2 12.241 10.653 0.952 1.00 0.00 C ATOM 22 C VAL A 2 10.787 10.932 0.584 1.00 0.00 C ATOM 23 O VAL A 2 9.913 10.960 1.449 1.00 0.00 O ATOM 24 CB VAL A 2 12.505 9.142 0.856 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.997 8.863 0.759 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.894 8.410 2.043 1.00 0.00 C ATOM 0 H VAL A 2 12.703 10.408 2.972 1.00 0.00 H new ATOM 0 HA VAL A 2 12.890 11.180 0.253 1.00 0.00 H new ATOM 0 HB VAL A 2 12.029 8.770 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 2 14.162 7.788 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.401 9.348 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.498 9.253 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.093 7.342 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.333 8.785 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.817 8.578 2.059 1.00 0.00 H new ATOM 36 N GLN A 3 10.535 11.137 -0.705 1.00 0.00 N ATOM 37 CA GLN A 3 9.185 11.413 -1.184 1.00 0.00 C ATOM 38 C GLN A 3 8.554 10.164 -1.788 1.00 0.00 C ATOM 39 O GLN A 3 9.253 9.269 -2.264 1.00 0.00 O ATOM 40 CB GLN A 3 9.205 12.538 -2.219 1.00 0.00 C ATOM 41 CG GLN A 3 9.127 13.927 -1.607 1.00 0.00 C ATOM 42 CD GLN A 3 7.865 14.135 -0.793 1.00 0.00 C ATOM 43 OE1 GLN A 3 7.896 14.114 0.438 1.00 0.00 O ATOM 44 NE2 GLN A 3 6.745 14.337 -1.477 1.00 0.00 N ATOM 0 H GLN A 3 11.247 11.117 -1.436 1.00 0.00 H new ATOM 0 HA GLN A 3 8.584 11.726 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.118 12.461 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.369 12.405 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.997 14.089 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.170 14.673 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.765 14.347 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.865 14.483 -0.983 1.00 0.00 H new ATOM 53 N LEU A 4 7.227 10.112 -1.764 1.00 0.00 N ATOM 54 CA LEU A 4 6.493 8.974 -2.306 1.00 0.00 C ATOM 55 C LEU A 4 5.163 9.423 -2.906 1.00 0.00 C ATOM 56 O LEU A 4 4.653 10.493 -2.574 1.00 0.00 O ATOM 57 CB LEU A 4 6.251 7.933 -1.211 1.00 0.00 C ATOM 58 CG LEU A 4 7.474 7.597 -0.354 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.578 8.547 0.831 1.00 0.00 C ATOM 60 CD2 LEU A 4 7.409 6.154 0.124 1.00 0.00 C ATOM 0 H LEU A 4 6.636 10.846 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 4 7.093 8.525 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.457 8.293 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.890 7.016 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 4 8.366 7.718 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.454 8.291 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.672 9.571 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.682 8.461 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.286 5.932 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.508 6.008 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.386 5.486 -0.737 1.00 0.00 H new ATOM 72 N GLN A 5 4.607 8.601 -3.793 1.00 0.00 N ATOM 73 CA GLN A 5 3.337 8.923 -4.437 1.00 0.00 C ATOM 74 C GLN A 5 2.587 7.658 -4.847 1.00 0.00 C ATOM 75 O GLN A 5 3.096 6.547 -4.701 1.00 0.00 O ATOM 76 CB GLN A 5 3.574 9.808 -5.663 1.00 0.00 C ATOM 77 CG GLN A 5 4.715 9.331 -6.547 1.00 0.00 C ATOM 78 CD GLN A 5 5.956 10.191 -6.411 1.00 0.00 C ATOM 79 OE1 GLN A 5 6.498 10.352 -5.318 1.00 0.00 O ATOM 80 NE2 GLN A 5 6.413 10.751 -7.526 1.00 0.00 N ATOM 0 H GLN A 5 5.014 7.711 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 5 2.724 9.464 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.659 9.847 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.783 10.825 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.962 8.301 -6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.389 9.332 -7.587 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.932 10.591 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.244 11.341 -7.497 1.00 0.00 H new ATOM 89 N GLU A 6 1.370 7.839 -5.355 1.00 0.00 N ATOM 90 CA GLU A 6 0.539 6.720 -5.783 1.00 0.00 C ATOM 91 C GLU A 6 0.022 6.935 -7.197 1.00 0.00 C ATOM 92 O GLU A 6 0.204 8.000 -7.787 1.00 0.00 O ATOM 93 CB GLU A 6 -0.640 6.538 -4.828 1.00 0.00 C ATOM 94 CG GLU A 6 -0.260 6.637 -3.359 1.00 0.00 C ATOM 95 CD GLU A 6 0.052 8.057 -2.929 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.851 8.916 -3.012 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.201 8.311 -2.510 1.00 0.00 O ATOM 0 H GLU A 6 0.938 8.754 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 6 1.155 5.821 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.395 7.292 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.097 5.565 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.076 6.249 -2.750 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.608 6.005 -3.169 1.00 0.00 H new ATOM 104 N SER A 7 -0.627 5.911 -7.728 1.00 0.00 N ATOM 105 CA SER A 7 -1.183 5.968 -9.076 1.00 0.00 C ATOM 106 C SER A 7 -2.079 4.764 -9.351 1.00 0.00 C ATOM 107 O SER A 7 -1.797 3.652 -8.903 1.00 0.00 O ATOM 108 CB SER A 7 -0.058 6.030 -10.111 1.00 0.00 C ATOM 109 OG SER A 7 -0.531 5.685 -11.402 1.00 0.00 O ATOM 0 H SER A 7 -0.784 5.026 -7.246 1.00 0.00 H new ATOM 0 HA SER A 7 -1.789 6.871 -9.153 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.366 7.034 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.744 5.352 -9.821 1.00 0.00 H new ATOM 0 HG SER A 7 0.207 5.734 -12.045 1.00 0.00 H new ATOM 115 N GLY A 8 -3.157 4.992 -10.095 1.00 0.00 N ATOM 116 CA GLY A 8 -4.075 3.916 -10.423 1.00 0.00 C ATOM 117 C GLY A 8 -5.271 3.862 -9.492 1.00 0.00 C ATOM 118 O GLY A 8 -6.370 3.490 -9.903 1.00 0.00 O ATOM 0 H GLY A 8 -3.411 5.903 -10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.423 4.041 -11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.544 2.965 -10.381 1.00 0.00 H new ATOM 122 N GLY A 9 -5.057 4.229 -8.232 1.00 0.00 N ATOM 123 CA GLY A 9 -6.125 4.211 -7.257 1.00 0.00 C ATOM 124 C GLY A 9 -7.379 4.909 -7.740 1.00 0.00 C ATOM 125 O GLY A 9 -7.313 5.955 -8.386 1.00 0.00 O ATOM 0 H GLY A 9 -4.155 4.540 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.364 3.177 -7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.780 4.689 -6.340 1.00 0.00 H new ATOM 129 N GLY A 10 -8.522 4.323 -7.421 1.00 0.00 N ATOM 130 CA GLY A 10 -9.792 4.890 -7.821 1.00 0.00 C ATOM 131 C GLY A 10 -10.965 4.022 -7.415 1.00 0.00 C ATOM 132 O GLY A 10 -10.808 3.061 -6.662 1.00 0.00 O ATOM 0 H GLY A 10 -8.592 3.457 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.903 5.878 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.802 5.026 -8.902 1.00 0.00 H new ATOM 136 N LEU A 11 -12.143 4.371 -7.911 1.00 0.00 N ATOM 137 CA LEU A 11 -13.356 3.637 -7.601 1.00 0.00 C ATOM 138 C LEU A 11 -13.351 2.256 -8.246 1.00 0.00 C ATOM 139 O LEU A 11 -12.669 2.030 -9.246 1.00 0.00 O ATOM 140 CB LEU A 11 -14.573 4.426 -8.069 1.00 0.00 C ATOM 141 CG LEU A 11 -14.604 5.862 -7.560 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.359 6.842 -8.699 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.924 6.164 -6.863 1.00 0.00 C ATOM 0 H LEU A 11 -12.282 5.166 -8.535 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.402 3.503 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.592 4.436 -9.159 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.476 3.913 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.803 5.979 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.385 7.861 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.383 6.647 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.133 6.720 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.921 7.195 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.746 6.024 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.051 5.490 -6.016 1.00 0.00 H new ATOM 155 N VAL A 12 -14.116 1.335 -7.669 1.00 0.00 N ATOM 156 CA VAL A 12 -14.199 -0.024 -8.191 1.00 0.00 C ATOM 157 C VAL A 12 -15.317 -0.808 -7.510 1.00 0.00 C ATOM 158 O VAL A 12 -15.270 -1.057 -6.305 1.00 0.00 O ATOM 159 CB VAL A 12 -12.867 -0.775 -8.012 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.485 -0.849 -6.542 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.947 -2.167 -8.623 1.00 0.00 C ATOM 0 H VAL A 12 -14.687 1.505 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.418 0.057 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.089 -0.220 -8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.541 -1.384 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.377 0.160 -6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.263 -1.376 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.995 -2.680 -8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.739 -2.734 -8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.164 -2.085 -9.688 1.00 0.00 H new ATOM 171 N GLN A 13 -16.323 -1.194 -8.290 1.00 0.00 N ATOM 172 CA GLN A 13 -17.454 -1.946 -7.774 1.00 0.00 C ATOM 173 C GLN A 13 -16.997 -3.202 -7.035 1.00 0.00 C ATOM 174 O GLN A 13 -15.887 -3.690 -7.244 1.00 0.00 O ATOM 175 CB GLN A 13 -18.387 -2.314 -8.929 1.00 0.00 C ATOM 176 CG GLN A 13 -17.898 -3.482 -9.773 1.00 0.00 C ATOM 177 CD GLN A 13 -16.599 -3.176 -10.494 1.00 0.00 C ATOM 178 OE1 GLN A 13 -15.513 -3.425 -9.972 1.00 0.00 O ATOM 179 NE2 GLN A 13 -16.707 -2.633 -11.701 1.00 0.00 N ATOM 0 H GLN A 13 -16.374 -0.995 -9.289 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.989 -1.322 -7.058 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.370 -2.558 -8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.514 -1.443 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.758 -4.354 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -18.663 -3.742 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.629 -2.444 -12.095 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.868 -2.405 -12.235 1.00 0.00 H new ATOM 188 N ALA A 14 -17.866 -3.718 -6.170 1.00 0.00 N ATOM 189 CA ALA A 14 -17.566 -4.913 -5.395 1.00 0.00 C ATOM 190 C ALA A 14 -17.026 -6.031 -6.281 1.00 0.00 C ATOM 191 O ALA A 14 -17.431 -6.174 -7.435 1.00 0.00 O ATOM 192 CB ALA A 14 -18.810 -5.378 -4.653 1.00 0.00 C ATOM 0 H ALA A 14 -18.789 -3.322 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.791 -4.661 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.576 -6.273 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.148 -4.590 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.598 -5.605 -5.371 1.00 0.00 H new ATOM 198 N GLY A 15 -16.109 -6.818 -5.734 1.00 0.00 N ATOM 199 CA GLY A 15 -15.525 -7.912 -6.487 1.00 0.00 C ATOM 200 C GLY A 15 -14.669 -7.432 -7.644 1.00 0.00 C ATOM 201 O GLY A 15 -14.340 -8.206 -8.543 1.00 0.00 O ATOM 0 H GLY A 15 -15.758 -6.719 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.918 -8.524 -5.820 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.321 -8.551 -6.869 1.00 0.00 H new ATOM 205 N GLY A 16 -14.304 -6.153 -7.621 1.00 0.00 N ATOM 206 CA GLY A 16 -13.482 -5.598 -8.679 1.00 0.00 C ATOM 207 C GLY A 16 -12.051 -5.367 -8.236 1.00 0.00 C ATOM 208 O GLY A 16 -11.786 -4.507 -7.395 1.00 0.00 O ATOM 0 H GLY A 16 -14.563 -5.492 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.490 -6.273 -9.534 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.913 -4.654 -9.014 1.00 0.00 H new ATOM 212 N SER A 17 -11.127 -6.137 -8.799 1.00 0.00 N ATOM 213 CA SER A 17 -9.721 -6.016 -8.457 1.00 0.00 C ATOM 214 C SER A 17 -9.138 -4.711 -8.986 1.00 0.00 C ATOM 215 O SER A 17 -9.318 -4.367 -10.154 1.00 0.00 O ATOM 216 CB SER A 17 -8.948 -7.201 -9.020 1.00 0.00 C ATOM 217 OG SER A 17 -9.742 -8.375 -9.023 1.00 0.00 O ATOM 0 H SER A 17 -11.331 -6.853 -9.496 1.00 0.00 H new ATOM 0 HA SER A 17 -9.632 -6.010 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.622 -6.977 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.049 -7.368 -8.426 1.00 0.00 H new ATOM 0 HG SER A 17 -9.223 -9.120 -9.391 1.00 0.00 H new ATOM 223 N LEU A 18 -8.440 -3.987 -8.118 1.00 0.00 N ATOM 224 CA LEU A 18 -7.829 -2.720 -8.495 1.00 0.00 C ATOM 225 C LEU A 18 -6.333 -2.738 -8.207 1.00 0.00 C ATOM 226 O LEU A 18 -5.905 -3.132 -7.123 1.00 0.00 O ATOM 227 CB LEU A 18 -8.496 -1.569 -7.741 1.00 0.00 C ATOM 228 CG LEU A 18 -7.930 -0.187 -8.053 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.675 0.445 -9.218 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.000 0.706 -6.823 1.00 0.00 C ATOM 0 H LEU A 18 -8.284 -4.257 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.972 -2.573 -9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.561 -1.571 -7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.402 -1.752 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.884 -0.299 -8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.257 1.430 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.572 -0.186 -10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.730 0.545 -8.964 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.592 1.688 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.038 0.811 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.420 0.259 -6.016 1.00 0.00 H new ATOM 242 N ARG A 19 -5.539 -2.318 -9.185 1.00 0.00 N ATOM 243 CA ARG A 19 -4.089 -2.297 -9.033 1.00 0.00 C ATOM 244 C ARG A 19 -3.579 -0.890 -8.741 1.00 0.00 C ATOM 245 O ARG A 19 -3.891 0.058 -9.462 1.00 0.00 O ATOM 246 CB ARG A 19 -3.417 -2.840 -10.295 1.00 0.00 C ATOM 247 CG ARG A 19 -1.902 -2.905 -10.196 1.00 0.00 C ATOM 248 CD ARG A 19 -1.307 -3.787 -11.284 1.00 0.00 C ATOM 249 NE ARG A 19 -0.427 -4.815 -10.734 1.00 0.00 N ATOM 250 CZ ARG A 19 0.246 -5.690 -11.477 1.00 0.00 C ATOM 251 NH1 ARG A 19 0.143 -5.665 -12.800 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.025 -6.592 -10.896 1.00 0.00 N ATOM 0 H ARG A 19 -5.874 -1.988 -10.090 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.835 -2.933 -8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.803 -3.838 -10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.691 -2.211 -11.142 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.488 -1.900 -10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.617 -3.291 -9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.111 -4.261 -11.847 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.748 -3.169 -11.987 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.322 -4.865 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.454 -4.973 -13.252 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.661 -6.338 -13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.108 -6.615 -9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.541 -7.263 -11.465 1.00 0.00 H new ATOM 266 N LEU A 20 -2.785 -0.766 -7.681 1.00 0.00 N ATOM 267 CA LEU A 20 -2.219 0.516 -7.291 1.00 0.00 C ATOM 268 C LEU A 20 -0.700 0.481 -7.405 1.00 0.00 C ATOM 269 O LEU A 20 -0.073 -0.549 -7.161 1.00 0.00 O ATOM 270 CB LEU A 20 -2.628 0.866 -5.859 1.00 0.00 C ATOM 271 CG LEU A 20 -4.063 0.491 -5.488 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.380 0.926 -4.064 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.044 1.110 -6.474 1.00 0.00 C ATOM 0 H LEU A 20 -2.520 -1.543 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.605 1.282 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.948 0.365 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.499 1.938 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.162 -0.593 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.406 0.650 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.697 0.433 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.265 2.007 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.061 0.834 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.944 2.195 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.830 0.744 -7.478 1.00 0.00 H new ATOM 285 N SER A 21 -0.118 1.611 -7.781 1.00 0.00 N ATOM 286 CA SER A 21 1.328 1.716 -7.936 1.00 0.00 C ATOM 287 C SER A 21 1.881 2.872 -7.110 1.00 0.00 C ATOM 288 O SER A 21 1.398 4.000 -7.201 1.00 0.00 O ATOM 289 CB SER A 21 1.689 1.907 -9.409 1.00 0.00 C ATOM 290 OG SER A 21 1.236 3.162 -9.887 1.00 0.00 O ATOM 0 H SER A 21 -0.626 2.471 -7.985 1.00 0.00 H new ATOM 0 HA SER A 21 1.776 0.790 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.769 1.835 -9.534 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.246 1.107 -10.002 1.00 0.00 H new ATOM 0 HG SER A 21 0.290 3.277 -9.659 1.00 0.00 H new ATOM 296 N CYS A 22 2.898 2.583 -6.306 1.00 0.00 N ATOM 297 CA CYS A 22 3.519 3.598 -5.464 1.00 0.00 C ATOM 298 C CYS A 22 5.020 3.674 -5.722 1.00 0.00 C ATOM 299 O CYS A 22 5.695 2.650 -5.824 1.00 0.00 O ATOM 300 CB CYS A 22 3.256 3.296 -3.987 1.00 0.00 C ATOM 301 SG CYS A 22 4.023 4.481 -2.835 1.00 0.00 S ATOM 0 H CYS A 22 3.310 1.654 -6.220 1.00 0.00 H new ATOM 0 HA CYS A 22 3.077 4.563 -5.714 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.180 3.285 -3.816 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.625 2.296 -3.761 1.00 0.00 H new ATOM 306 N ALA A 23 5.534 4.895 -5.824 1.00 0.00 N ATOM 307 CA ALA A 23 6.955 5.108 -6.067 1.00 0.00 C ATOM 308 C ALA A 23 7.622 5.756 -4.859 1.00 0.00 C ATOM 309 O ALA A 23 7.018 6.581 -4.175 1.00 0.00 O ATOM 310 CB ALA A 23 7.156 5.964 -7.308 1.00 0.00 C ATOM 0 H ALA A 23 4.987 5.752 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 23 7.423 4.137 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.222 6.115 -7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.719 5.462 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.671 6.930 -7.166 1.00 0.00 H new ATOM 316 N ALA A 24 8.868 5.376 -4.600 1.00 0.00 N ATOM 317 CA ALA A 24 9.612 5.921 -3.471 1.00 0.00 C ATOM 318 C ALA A 24 10.903 6.590 -3.929 1.00 0.00 C ATOM 319 O ALA A 24 11.902 5.919 -4.191 1.00 0.00 O ATOM 320 CB ALA A 24 9.913 4.824 -2.461 1.00 0.00 C ATOM 0 H ALA A 24 9.384 4.694 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 24 8.993 6.681 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.469 5.244 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.978 4.396 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.508 4.045 -2.937 1.00 0.00 H new ATOM 326 N SER A 25 10.878 7.916 -4.020 1.00 0.00 N ATOM 327 CA SER A 25 12.049 8.675 -4.442 1.00 0.00 C ATOM 328 C SER A 25 13.054 8.794 -3.302 1.00 0.00 C ATOM 329 O SER A 25 12.813 9.493 -2.317 1.00 0.00 O ATOM 330 CB SER A 25 11.635 10.067 -4.923 1.00 0.00 C ATOM 331 OG SER A 25 11.442 10.949 -3.830 1.00 0.00 O ATOM 0 H SER A 25 10.060 8.487 -3.807 1.00 0.00 H new ATOM 0 HA SER A 25 12.522 8.142 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.401 10.468 -5.587 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.715 9.996 -5.503 1.00 0.00 H new ATOM 0 HG SER A 25 11.645 10.482 -2.993 1.00 0.00 H new ATOM 337 N GLY A 26 14.181 8.103 -3.440 1.00 0.00 N ATOM 338 CA GLY A 26 15.206 8.138 -2.413 1.00 0.00 C ATOM 339 C GLY A 26 15.564 6.753 -1.913 1.00 0.00 C ATOM 340 O GLY A 26 14.860 5.784 -2.199 1.00 0.00 O ATOM 0 H GLY A 26 14.403 7.519 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.099 8.621 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.860 8.746 -1.577 1.00 0.00 H new ATOM 344 N ARG A 27 16.659 6.655 -1.168 1.00 0.00 N ATOM 345 CA ARG A 27 17.100 5.372 -0.635 1.00 0.00 C ATOM 346 C ARG A 27 18.224 5.553 0.380 1.00 0.00 C ATOM 347 O ARG A 27 19.385 5.727 0.011 1.00 0.00 O ATOM 348 CB ARG A 27 17.562 4.462 -1.770 1.00 0.00 C ATOM 349 CG ARG A 27 17.383 2.981 -1.477 1.00 0.00 C ATOM 350 CD ARG A 27 16.896 2.221 -2.702 1.00 0.00 C ATOM 351 NE ARG A 27 17.953 1.411 -3.304 1.00 0.00 N ATOM 352 CZ ARG A 27 18.872 1.890 -4.140 1.00 0.00 C ATOM 353 NH1 ARG A 27 18.874 3.176 -4.470 1.00 0.00 N ATOM 354 NH2 ARG A 27 19.793 1.081 -4.646 1.00 0.00 N ATOM 0 H ARG A 27 17.255 7.445 -0.920 1.00 0.00 H new ATOM 0 HA ARG A 27 16.254 4.910 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 27 17.008 4.714 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.614 4.658 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.330 2.560 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.670 2.855 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.063 1.577 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.518 2.928 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 27 17.989 0.419 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.169 3.803 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.581 3.537 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.797 0.092 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.497 1.447 -5.286 1.00 0.00 H new ATOM 368 N THR A 28 17.871 5.508 1.661 1.00 0.00 N ATOM 369 CA THR A 28 18.851 5.663 2.729 1.00 0.00 C ATOM 370 C THR A 28 19.770 4.441 2.801 1.00 0.00 C ATOM 371 O THR A 28 19.941 3.727 1.812 1.00 0.00 O ATOM 372 CB THR A 28 18.142 5.889 4.071 1.00 0.00 C ATOM 373 OG1 THR A 28 19.061 6.328 5.055 1.00 0.00 O ATOM 374 CG2 THR A 28 17.449 4.654 4.610 1.00 0.00 C ATOM 0 H THR A 28 16.914 5.366 1.984 1.00 0.00 H new ATOM 0 HA THR A 28 19.466 6.536 2.511 1.00 0.00 H new ATOM 0 HB THR A 28 17.384 6.645 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.590 6.468 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.971 4.891 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.695 4.320 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.182 3.862 4.760 1.00 0.00 H new ATOM 382 N GLY A 29 20.357 4.205 3.970 1.00 0.00 N ATOM 383 CA GLY A 29 21.244 3.073 4.140 1.00 0.00 C ATOM 384 C GLY A 29 21.158 2.480 5.530 1.00 0.00 C ATOM 385 O GLY A 29 22.167 2.342 6.221 1.00 0.00 O ATOM 0 H GLY A 29 20.233 4.780 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.997 2.307 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 29 22.270 3.385 3.943 1.00 0.00 H new ATOM 389 N SER A 30 19.945 2.140 5.940 1.00 0.00 N ATOM 390 CA SER A 30 19.711 1.566 7.259 1.00 0.00 C ATOM 391 C SER A 30 18.982 0.231 7.157 1.00 0.00 C ATOM 392 O SER A 30 19.566 -0.830 7.376 1.00 0.00 O ATOM 393 CB SER A 30 18.885 2.534 8.105 1.00 0.00 C ATOM 394 OG SER A 30 18.699 2.035 9.418 1.00 0.00 O ATOM 0 H SER A 30 19.103 2.252 5.376 1.00 0.00 H new ATOM 0 HA SER A 30 20.679 1.395 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.385 3.502 8.148 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.916 2.697 7.634 1.00 0.00 H new ATOM 0 HG SER A 30 18.169 2.674 9.939 1.00 0.00 H new ATOM 400 N THR A 31 17.698 0.301 6.827 1.00 0.00 N ATOM 401 CA THR A 31 16.861 -0.886 6.695 1.00 0.00 C ATOM 402 C THR A 31 15.418 -0.474 6.422 1.00 0.00 C ATOM 403 O THR A 31 14.497 -0.857 7.144 1.00 0.00 O ATOM 404 CB THR A 31 16.937 -1.743 7.963 1.00 0.00 C ATOM 405 OG1 THR A 31 17.375 -0.969 9.066 1.00 0.00 O ATOM 406 CG2 THR A 31 17.873 -2.925 7.831 1.00 0.00 C ATOM 0 H THR A 31 17.209 1.177 6.644 1.00 0.00 H new ATOM 0 HA THR A 31 17.226 -1.481 5.858 1.00 0.00 H new ATOM 0 HB THR A 31 15.925 -2.117 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.416 -1.533 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.880 -3.489 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.534 -3.569 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.880 -2.569 7.615 1.00 0.00 H new ATOM 414 N TYR A 32 15.237 0.325 5.378 1.00 0.00 N ATOM 415 CA TYR A 32 13.943 0.819 4.994 1.00 0.00 C ATOM 416 C TYR A 32 13.051 -0.294 4.451 1.00 0.00 C ATOM 417 O TYR A 32 13.494 -1.426 4.257 1.00 0.00 O ATOM 418 CB TYR A 32 14.135 1.889 3.927 1.00 0.00 C ATOM 419 CG TYR A 32 15.279 1.625 2.967 1.00 0.00 C ATOM 420 CD1 TYR A 32 15.512 0.348 2.469 1.00 0.00 C ATOM 421 CD2 TYR A 32 16.122 2.650 2.559 1.00 0.00 C ATOM 422 CE1 TYR A 32 16.553 0.101 1.595 1.00 0.00 C ATOM 423 CE2 TYR A 32 17.165 2.411 1.684 1.00 0.00 C ATOM 424 CZ TYR A 32 17.376 1.135 1.206 1.00 0.00 C ATOM 425 OH TYR A 32 18.414 0.893 0.335 1.00 0.00 O ATOM 0 H TYR A 32 15.997 0.644 4.777 1.00 0.00 H new ATOM 0 HA TYR A 32 13.450 1.232 5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.212 1.983 3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.304 2.847 4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.868 -0.465 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 32 15.960 3.651 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 32 16.721 -0.897 1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 32 17.811 3.220 1.376 1.00 0.00 H new ATOM 0 HH TYR A 32 19.145 1.521 0.514 1.00 0.00 H new ATOM 435 N ASP A 33 11.792 0.050 4.204 1.00 0.00 N ATOM 436 CA ASP A 33 10.817 -0.897 3.676 1.00 0.00 C ATOM 437 C ASP A 33 9.682 -0.148 2.986 1.00 0.00 C ATOM 438 O ASP A 33 9.737 1.072 2.841 1.00 0.00 O ATOM 439 CB ASP A 33 10.258 -1.773 4.799 1.00 0.00 C ATOM 440 CG ASP A 33 11.342 -2.552 5.518 1.00 0.00 C ATOM 441 OD1 ASP A 33 11.918 -3.474 4.904 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.615 -2.240 6.696 1.00 0.00 O ATOM 0 H ASP A 33 11.420 0.987 4.363 1.00 0.00 H new ATOM 0 HA ASP A 33 11.315 -1.539 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.729 -1.146 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.528 -2.469 4.385 1.00 0.00 H new ATOM 447 N MET A 34 8.654 -0.875 2.564 1.00 0.00 N ATOM 448 CA MET A 34 7.517 -0.255 1.895 1.00 0.00 C ATOM 449 C MET A 34 6.209 -0.918 2.309 1.00 0.00 C ATOM 450 O MET A 34 6.202 -2.057 2.774 1.00 0.00 O ATOM 451 CB MET A 34 7.690 -0.330 0.378 1.00 0.00 C ATOM 452 CG MET A 34 8.174 0.974 -0.234 1.00 0.00 C ATOM 453 SD MET A 34 9.811 0.833 -0.976 1.00 0.00 S ATOM 454 CE MET A 34 10.639 2.240 -0.241 1.00 0.00 C ATOM 0 H MET A 34 8.584 -1.887 2.672 1.00 0.00 H new ATOM 0 HA MET A 34 7.477 0.792 2.196 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.400 -1.122 0.138 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.739 -0.606 -0.077 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.463 1.300 -0.993 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.194 1.746 0.536 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.499 2.515 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.948 3.081 -0.187 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.974 1.981 0.763 1.00 0.00 H new ATOM 464 N GLY A 35 5.102 -0.201 2.139 1.00 0.00 N ATOM 465 CA GLY A 35 3.810 -0.750 2.503 1.00 0.00 C ATOM 466 C GLY A 35 2.688 0.265 2.415 1.00 0.00 C ATOM 467 O GLY A 35 2.885 1.448 2.696 1.00 0.00 O ATOM 0 H GLY A 35 5.077 0.745 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.582 -1.592 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.861 -1.140 3.520 1.00 0.00 H new ATOM 471 N TRP A 36 1.504 -0.201 2.024 1.00 0.00 N ATOM 472 CA TRP A 36 0.343 0.662 1.899 1.00 0.00 C ATOM 473 C TRP A 36 -0.415 0.749 3.215 1.00 0.00 C ATOM 474 O TRP A 36 -0.332 -0.147 4.056 1.00 0.00 O ATOM 475 CB TRP A 36 -0.581 0.138 0.811 1.00 0.00 C ATOM 476 CG TRP A 36 -0.004 0.228 -0.569 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.973 -0.563 -1.102 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.372 1.158 -1.594 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.235 -0.182 -2.396 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.422 0.872 -2.722 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.296 2.205 -1.668 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.319 1.595 -3.908 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.397 2.921 -2.847 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.595 2.613 -3.953 1.00 0.00 C ATOM 0 H TRP A 36 1.328 -1.178 1.788 1.00 0.00 H new ATOM 0 HA TRP A 36 0.690 1.660 1.632 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.825 -0.902 1.025 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.516 0.698 0.841 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.468 -1.370 -0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.923 -0.613 -3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.919 2.450 -0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.938 1.361 -4.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.107 3.732 -2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.700 3.190 -4.860 1.00 0.00 H new ATOM 495 N PHE A 37 -1.147 1.840 3.389 1.00 0.00 N ATOM 496 CA PHE A 37 -1.912 2.056 4.599 1.00 0.00 C ATOM 497 C PHE A 37 -3.337 2.491 4.273 1.00 0.00 C ATOM 498 O PHE A 37 -3.707 2.610 3.106 1.00 0.00 O ATOM 499 CB PHE A 37 -1.219 3.115 5.448 1.00 0.00 C ATOM 500 CG PHE A 37 -0.218 2.547 6.412 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.912 1.890 5.952 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.409 2.669 7.779 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.833 1.364 6.838 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.508 2.146 8.670 1.00 0.00 C ATOM 505 CZ PHE A 37 1.631 1.491 8.199 1.00 0.00 C ATOM 0 H PHE A 37 -1.224 2.590 2.702 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.967 1.119 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.717 3.825 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.972 3.673 6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.075 1.788 4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.285 3.179 8.152 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.710 0.854 6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.348 2.249 9.733 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.349 1.080 8.893 1.00 0.00 H new ATOM 515 N ARG A 38 -4.134 2.727 5.311 1.00 0.00 N ATOM 516 CA ARG A 38 -5.516 3.149 5.129 1.00 0.00 C ATOM 517 C ARG A 38 -5.984 3.991 6.311 1.00 0.00 C ATOM 518 O ARG A 38 -5.374 3.969 7.380 1.00 0.00 O ATOM 519 CB ARG A 38 -6.424 1.931 4.958 1.00 0.00 C ATOM 520 CG ARG A 38 -6.356 0.951 6.117 1.00 0.00 C ATOM 521 CD ARG A 38 -6.716 -0.462 5.681 1.00 0.00 C ATOM 522 NE ARG A 38 -7.723 -1.063 6.551 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.022 -0.779 6.486 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.476 0.087 5.588 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.872 -1.365 7.319 1.00 0.00 N ATOM 0 H ARG A 38 -3.846 2.633 6.285 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.571 3.760 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.453 2.270 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.152 1.412 4.039 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.351 0.957 6.540 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.036 1.273 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.088 -0.442 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.819 -1.081 5.683 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.413 -1.739 7.249 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.828 0.539 4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.472 0.300 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.530 -2.033 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.867 -1.147 7.269 1.00 0.00 H new ATOM 539 N GLN A 39 -7.067 4.738 6.113 1.00 0.00 N ATOM 540 CA GLN A 39 -7.604 5.590 7.168 1.00 0.00 C ATOM 541 C GLN A 39 -9.119 5.729 7.047 1.00 0.00 C ATOM 542 O GLN A 39 -9.669 5.725 5.946 1.00 0.00 O ATOM 543 CB GLN A 39 -6.945 6.971 7.118 1.00 0.00 C ATOM 544 CG GLN A 39 -6.261 7.367 8.416 1.00 0.00 C ATOM 545 CD GLN A 39 -7.250 7.726 9.508 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.450 7.842 9.261 1.00 0.00 O ATOM 547 NE2 GLN A 39 -6.749 7.906 10.725 1.00 0.00 N ATOM 0 H GLN A 39 -7.587 4.770 5.236 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.381 5.121 8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.212 6.985 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.702 7.717 6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.631 6.545 8.757 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.604 8.217 8.232 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.747 7.800 10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.366 8.151 11.500 1.00 0.00 H new ATOM 556 N ALA A 40 -9.785 5.858 8.191 1.00 0.00 N ATOM 557 CA ALA A 40 -11.234 6.007 8.223 1.00 0.00 C ATOM 558 C ALA A 40 -11.637 7.156 9.144 1.00 0.00 C ATOM 559 O ALA A 40 -10.872 7.550 10.024 1.00 0.00 O ATOM 560 CB ALA A 40 -11.889 4.710 8.672 1.00 0.00 C ATOM 0 H ALA A 40 -9.342 5.862 9.110 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.579 6.240 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.971 4.837 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.629 3.912 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.536 4.451 9.670 1.00 0.00 H new ATOM 566 N PRO A 41 -12.844 7.715 8.954 1.00 0.00 N ATOM 567 CA PRO A 41 -13.331 8.826 9.775 1.00 0.00 C ATOM 568 C PRO A 41 -13.651 8.399 11.195 1.00 0.00 C ATOM 569 O PRO A 41 -14.239 7.341 11.424 1.00 0.00 O ATOM 570 CB PRO A 41 -14.592 9.288 9.044 1.00 0.00 C ATOM 571 CG PRO A 41 -15.061 8.083 8.304 1.00 0.00 C ATOM 572 CD PRO A 41 -13.823 7.315 7.925 1.00 0.00 C ATOM 0 HA PRO A 41 -12.583 9.611 9.884 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.349 9.642 9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.376 10.112 8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.720 7.477 8.925 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.629 8.367 7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.999 6.239 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.481 7.573 6.923 1.00 0.00 H new ATOM 580 N GLY A 42 -13.230 9.219 12.152 1.00 0.00 N ATOM 581 CA GLY A 42 -13.449 8.899 13.545 1.00 0.00 C ATOM 582 C GLY A 42 -12.580 7.741 13.995 1.00 0.00 C ATOM 583 O GLY A 42 -12.628 7.333 15.155 1.00 0.00 O ATOM 0 H GLY A 42 -12.741 10.099 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.235 9.775 14.158 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.498 8.649 13.701 1.00 0.00 H new ATOM 587 N LYS A 43 -11.792 7.202 13.064 1.00 0.00 N ATOM 588 CA LYS A 43 -10.922 6.083 13.350 1.00 0.00 C ATOM 589 C LYS A 43 -9.466 6.439 13.071 1.00 0.00 C ATOM 590 O LYS A 43 -9.172 7.263 12.205 1.00 0.00 O ATOM 591 CB LYS A 43 -11.342 4.908 12.481 1.00 0.00 C ATOM 592 CG LYS A 43 -10.742 3.578 12.909 1.00 0.00 C ATOM 593 CD LYS A 43 -10.298 2.755 11.710 1.00 0.00 C ATOM 594 CE LYS A 43 -11.301 1.660 11.383 1.00 0.00 C ATOM 595 NZ LYS A 43 -11.077 0.439 12.205 1.00 0.00 N ATOM 0 H LYS A 43 -11.746 7.533 12.100 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.007 5.823 14.405 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.429 4.827 12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.053 5.110 11.450 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.890 3.756 13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.476 3.015 13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.175 3.407 10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.325 2.309 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.312 2.031 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.228 1.405 10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.781 -0.284 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.122 0.070 12.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.172 0.677 13.213 1.00 0.00 H new ATOM 609 N GLU A 44 -8.561 5.806 13.803 1.00 0.00 N ATOM 610 CA GLU A 44 -7.133 6.046 13.632 1.00 0.00 C ATOM 611 C GLU A 44 -6.653 5.480 12.299 1.00 0.00 C ATOM 612 O GLU A 44 -7.447 4.958 11.516 1.00 0.00 O ATOM 613 CB GLU A 44 -6.348 5.413 14.781 1.00 0.00 C ATOM 614 CG GLU A 44 -6.733 3.968 15.055 1.00 0.00 C ATOM 615 CD GLU A 44 -7.296 3.767 16.449 1.00 0.00 C ATOM 616 OE1 GLU A 44 -7.865 4.730 17.004 1.00 0.00 O ATOM 617 OE2 GLU A 44 -7.166 2.647 16.986 1.00 0.00 O ATOM 0 H GLU A 44 -8.790 5.121 14.523 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.962 7.122 13.638 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.283 5.460 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.506 6.001 15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.471 3.647 14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.857 3.332 14.926 1.00 0.00 H new ATOM 624 N ARG A 45 -5.353 5.583 12.045 1.00 0.00 N ATOM 625 CA ARG A 45 -4.780 5.075 10.804 1.00 0.00 C ATOM 626 C ARG A 45 -4.252 3.655 10.989 1.00 0.00 C ATOM 627 O ARG A 45 -3.732 3.308 12.049 1.00 0.00 O ATOM 628 CB ARG A 45 -3.659 6.000 10.312 1.00 0.00 C ATOM 629 CG ARG A 45 -2.351 5.843 11.074 1.00 0.00 C ATOM 630 CD ARG A 45 -1.254 6.715 10.484 1.00 0.00 C ATOM 631 NE ARG A 45 0.033 6.491 11.138 1.00 0.00 N ATOM 632 CZ ARG A 45 0.374 7.029 12.307 1.00 0.00 C ATOM 633 NH1 ARG A 45 -0.470 7.826 12.951 1.00 0.00 N ATOM 634 NH2 ARG A 45 1.563 6.769 12.834 1.00 0.00 N ATOM 0 H ARG A 45 -4.679 6.012 12.679 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.569 5.051 10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.478 5.805 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.993 7.034 10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.504 6.108 12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.039 4.799 11.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.160 6.508 9.418 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.533 7.764 10.582 1.00 0.00 H new ATOM 0 HE ARG A 45 0.710 5.887 10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.386 8.029 12.550 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.203 8.235 13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.215 6.157 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.825 7.181 13.730 1.00 0.00 H new ATOM 648 N GLU A 46 -4.386 2.840 9.948 1.00 0.00 N ATOM 649 CA GLU A 46 -3.922 1.461 9.990 1.00 0.00 C ATOM 650 C GLU A 46 -3.195 1.109 8.702 1.00 0.00 C ATOM 651 O GLU A 46 -3.262 1.848 7.722 1.00 0.00 O ATOM 652 CB GLU A 46 -5.100 0.509 10.210 1.00 0.00 C ATOM 653 CG GLU A 46 -6.085 0.478 9.053 1.00 0.00 C ATOM 654 CD GLU A 46 -7.461 0.000 9.472 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.621 -1.216 9.710 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.380 0.841 9.563 1.00 0.00 O ATOM 0 H GLU A 46 -4.814 3.113 9.063 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.228 1.354 10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.716 -0.498 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.628 0.802 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.166 1.476 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.700 -0.176 8.270 1.00 0.00 H new ATOM 663 N SER A 47 -2.496 -0.016 8.707 1.00 0.00 N ATOM 664 CA SER A 47 -1.759 -0.451 7.534 1.00 0.00 C ATOM 665 C SER A 47 -2.500 -1.561 6.806 1.00 0.00 C ATOM 666 O SER A 47 -3.511 -2.073 7.286 1.00 0.00 O ATOM 667 CB SER A 47 -0.362 -0.926 7.927 1.00 0.00 C ATOM 668 OG SER A 47 0.485 -1.016 6.794 1.00 0.00 O ATOM 0 H SER A 47 -2.425 -0.642 9.509 1.00 0.00 H new ATOM 0 HA SER A 47 -1.667 0.401 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.069 -0.236 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.429 -1.899 8.413 1.00 0.00 H new ATOM 0 HG SER A 47 0.584 -0.130 6.388 1.00 0.00 H new ATOM 674 N VAL A 48 -1.983 -1.923 5.644 1.00 0.00 N ATOM 675 CA VAL A 48 -2.584 -2.974 4.829 1.00 0.00 C ATOM 676 C VAL A 48 -1.550 -4.017 4.425 1.00 0.00 C ATOM 677 O VAL A 48 -1.595 -5.159 4.885 1.00 0.00 O ATOM 678 CB VAL A 48 -3.242 -2.404 3.559 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.220 -3.408 2.967 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.933 -1.079 3.851 1.00 0.00 C ATOM 0 H VAL A 48 -1.145 -1.505 5.240 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.352 -3.443 5.444 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.459 -2.217 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.675 -2.987 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.689 -4.324 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.997 -3.633 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.390 -0.698 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.704 -1.229 4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.201 -0.360 4.218 1.00 0.00 H new ATOM 690 N ALA A 49 -0.618 -3.622 3.565 1.00 0.00 N ATOM 691 CA ALA A 49 0.425 -4.529 3.104 1.00 0.00 C ATOM 692 C ALA A 49 1.782 -3.837 3.079 1.00 0.00 C ATOM 693 O ALA A 49 1.875 -2.648 2.778 1.00 0.00 O ATOM 694 CB ALA A 49 0.082 -5.074 1.727 1.00 0.00 C ATOM 0 H ALA A 49 -0.564 -2.682 3.174 1.00 0.00 H new ATOM 0 HA ALA A 49 0.484 -5.361 3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.871 -5.750 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.863 -5.615 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.008 -4.248 1.021 1.00 0.00 H new ATOM 700 N ALA A 50 2.833 -4.588 3.399 1.00 0.00 N ATOM 701 CA ALA A 50 4.182 -4.039 3.413 1.00 0.00 C ATOM 702 C ALA A 50 5.205 -5.065 2.942 1.00 0.00 C ATOM 703 O ALA A 50 5.094 -6.251 3.244 1.00 0.00 O ATOM 704 CB ALA A 50 4.532 -3.546 4.806 1.00 0.00 C ATOM 0 H ALA A 50 2.775 -5.575 3.651 1.00 0.00 H new ATOM 0 HA ALA A 50 4.210 -3.198 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.543 -3.138 4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.828 -2.770 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.477 -4.376 5.510 1.00 0.00 H new ATOM 710 N ILE A 51 6.203 -4.599 2.201 1.00 0.00 N ATOM 711 CA ILE A 51 7.249 -5.473 1.689 1.00 0.00 C ATOM 712 C ILE A 51 8.624 -5.025 2.174 1.00 0.00 C ATOM 713 O ILE A 51 8.892 -3.828 2.301 1.00 0.00 O ATOM 714 CB ILE A 51 7.241 -5.515 0.147 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.310 -6.481 -0.370 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.453 -4.122 -0.425 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.850 -7.318 -1.543 1.00 0.00 C ATOM 0 H ILE A 51 6.309 -3.618 1.941 1.00 0.00 H new ATOM 0 HA ILE A 51 7.044 -6.473 2.070 1.00 0.00 H new ATOM 0 HB ILE A 51 6.267 -5.876 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.192 -5.911 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.614 -7.143 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.444 -4.171 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.654 -3.464 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.413 -3.732 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.658 -7.979 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.987 -7.914 -1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.574 -6.664 -2.370 1.00 0.00 H new ATOM 729 N ASN A 52 9.487 -5.998 2.448 1.00 0.00 N ATOM 730 CA ASN A 52 10.828 -5.725 2.922 1.00 0.00 C ATOM 731 C ASN A 52 11.718 -5.228 1.787 1.00 0.00 C ATOM 732 O ASN A 52 11.445 -5.480 0.614 1.00 0.00 O ATOM 733 CB ASN A 52 11.416 -6.994 3.529 1.00 0.00 C ATOM 734 CG ASN A 52 10.411 -7.765 4.364 1.00 0.00 C ATOM 735 OD1 ASN A 52 10.046 -8.893 4.032 1.00 0.00 O ATOM 736 ND2 ASN A 52 9.957 -7.158 5.455 1.00 0.00 N ATOM 0 H ASN A 52 9.273 -6.990 2.347 1.00 0.00 H new ATOM 0 HA ASN A 52 10.779 -4.943 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.786 -7.636 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.273 -6.731 4.150 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.279 -7.628 6.055 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.287 -6.222 5.693 1.00 0.00 H new ATOM 743 N TRP A 53 12.785 -4.522 2.146 1.00 0.00 N ATOM 744 CA TRP A 53 13.717 -3.990 1.165 1.00 0.00 C ATOM 745 C TRP A 53 15.079 -4.666 1.299 1.00 0.00 C ATOM 746 O TRP A 53 16.118 -4.006 1.262 1.00 0.00 O ATOM 747 CB TRP A 53 13.860 -2.480 1.352 1.00 0.00 C ATOM 748 CG TRP A 53 13.795 -1.701 0.072 1.00 0.00 C ATOM 749 CD1 TRP A 53 13.065 -0.570 -0.156 1.00 0.00 C ATOM 750 CD2 TRP A 53 14.482 -1.988 -1.155 1.00 0.00 C ATOM 751 NE1 TRP A 53 13.254 -0.136 -1.445 1.00 0.00 N ATOM 752 CE2 TRP A 53 14.119 -0.989 -2.079 1.00 0.00 C ATOM 753 CE3 TRP A 53 15.368 -2.990 -1.563 1.00 0.00 C ATOM 754 CZ2 TRP A 53 14.610 -0.964 -3.381 1.00 0.00 C ATOM 755 CZ3 TRP A 53 15.854 -2.964 -2.857 1.00 0.00 C ATOM 756 CH2 TRP A 53 15.475 -1.956 -3.752 1.00 0.00 C ATOM 0 H TRP A 53 13.024 -4.306 3.114 1.00 0.00 H new ATOM 0 HA TRP A 53 13.328 -4.192 0.167 1.00 0.00 H new ATOM 0 HB2 TRP A 53 13.072 -2.130 2.019 1.00 0.00 H new ATOM 0 HB3 TRP A 53 14.810 -2.273 1.844 1.00 0.00 H new ATOM 0 HD1 TRP A 53 12.431 -0.087 0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 53 12.821 0.688 -1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 53 15.667 -3.771 -0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 14.318 -0.189 -4.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 16.537 -3.734 -3.183 1.00 0.00 H new ATOM 0 HH2 TRP A 53 15.874 -1.962 -4.756 1.00 0.00 H new ATOM 767 N ASP A 54 15.067 -5.986 1.458 1.00 0.00 N ATOM 768 CA ASP A 54 16.303 -6.747 1.600 1.00 0.00 C ATOM 769 C ASP A 54 16.019 -8.244 1.693 1.00 0.00 C ATOM 770 O ASP A 54 16.695 -8.969 2.423 1.00 0.00 O ATOM 771 CB ASP A 54 17.072 -6.285 2.840 1.00 0.00 C ATOM 772 CG ASP A 54 16.187 -6.193 4.068 1.00 0.00 C ATOM 773 OD1 ASP A 54 15.997 -7.228 4.740 1.00 0.00 O ATOM 774 OD2 ASP A 54 15.685 -5.087 4.356 1.00 0.00 O ATOM 0 H ASP A 54 14.217 -6.549 1.492 1.00 0.00 H new ATOM 0 HA ASP A 54 16.911 -6.567 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.890 -6.978 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 54 17.520 -5.311 2.644 1.00 0.00 H new ATOM 779 N SER A 55 15.018 -8.701 0.947 1.00 0.00 N ATOM 780 CA SER A 55 14.653 -10.113 0.946 1.00 0.00 C ATOM 781 C SER A 55 13.647 -10.414 -0.169 1.00 0.00 C ATOM 782 O SER A 55 14.032 -10.571 -1.328 1.00 0.00 O ATOM 783 CB SER A 55 14.090 -10.517 2.313 1.00 0.00 C ATOM 784 OG SER A 55 13.530 -11.818 2.270 1.00 0.00 O ATOM 0 H SER A 55 14.447 -8.116 0.337 1.00 0.00 H new ATOM 0 HA SER A 55 15.550 -10.702 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.883 -10.483 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.329 -9.800 2.623 1.00 0.00 H new ATOM 0 HG SER A 55 13.179 -12.053 3.155 1.00 0.00 H new ATOM 790 N ALA A 56 12.361 -10.498 0.178 1.00 0.00 N ATOM 791 CA ALA A 56 11.323 -10.784 -0.804 1.00 0.00 C ATOM 792 C ALA A 56 9.954 -10.910 -0.143 1.00 0.00 C ATOM 793 O ALA A 56 8.943 -10.484 -0.700 1.00 0.00 O ATOM 794 CB ALA A 56 11.661 -12.060 -1.555 1.00 0.00 C ATOM 0 H ALA A 56 12.018 -10.372 1.130 1.00 0.00 H new ATOM 0 HA ALA A 56 11.280 -9.951 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.881 -12.268 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.616 -11.939 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.728 -12.889 -0.851 1.00 0.00 H new ATOM 800 N ARG A 57 9.929 -11.509 1.045 1.00 0.00 N ATOM 801 CA ARG A 57 8.683 -11.703 1.781 1.00 0.00 C ATOM 802 C ARG A 57 7.931 -10.388 1.967 1.00 0.00 C ATOM 803 O ARG A 57 8.510 -9.305 1.861 1.00 0.00 O ATOM 804 CB ARG A 57 8.964 -12.337 3.145 1.00 0.00 C ATOM 805 CG ARG A 57 7.762 -13.051 3.743 1.00 0.00 C ATOM 806 CD ARG A 57 8.113 -14.461 4.192 1.00 0.00 C ATOM 807 NE ARG A 57 9.102 -14.462 5.267 1.00 0.00 N ATOM 808 CZ ARG A 57 9.300 -15.488 6.091 1.00 0.00 C ATOM 809 NH1 ARG A 57 8.580 -16.596 5.969 1.00 0.00 N ATOM 810 NH2 ARG A 57 10.222 -15.406 7.041 1.00 0.00 N ATOM 0 H ARG A 57 10.758 -11.868 1.519 1.00 0.00 H new ATOM 0 HA ARG A 57 8.055 -12.373 1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.785 -13.047 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.296 -11.562 3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.386 -12.481 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.960 -13.092 3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.210 -14.969 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.499 -15.026 3.344 1.00 0.00 H new ATOM 0 HE ARG A 57 9.674 -13.627 5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.870 -16.665 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.737 -17.379 6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.779 -14.557 7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.374 -16.192 7.673 1.00 0.00 H new ATOM 824 N THR A 58 6.636 -10.497 2.244 1.00 0.00 N ATOM 825 CA THR A 58 5.791 -9.327 2.445 1.00 0.00 C ATOM 826 C THR A 58 5.029 -9.422 3.764 1.00 0.00 C ATOM 827 O THR A 58 5.220 -10.357 4.541 1.00 0.00 O ATOM 828 CB THR A 58 4.805 -9.182 1.286 1.00 0.00 C ATOM 829 OG1 THR A 58 5.213 -9.964 0.176 1.00 0.00 O ATOM 830 CG2 THR A 58 4.647 -7.755 0.807 1.00 0.00 C ATOM 0 H THR A 58 6.148 -11.388 2.335 1.00 0.00 H new ATOM 0 HA THR A 58 6.435 -8.448 2.481 1.00 0.00 H new ATOM 0 HB THR A 58 3.848 -9.524 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.567 -9.858 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.933 -7.724 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.283 -7.135 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.611 -7.377 0.466 1.00 0.00 H new ATOM 838 N TYR A 59 4.166 -8.443 4.003 1.00 0.00 N ATOM 839 CA TYR A 59 3.366 -8.396 5.220 1.00 0.00 C ATOM 840 C TYR A 59 1.947 -7.939 4.907 1.00 0.00 C ATOM 841 O TYR A 59 1.749 -6.888 4.304 1.00 0.00 O ATOM 842 CB TYR A 59 4.006 -7.441 6.229 1.00 0.00 C ATOM 843 CG TYR A 59 3.189 -7.247 7.488 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.242 -8.172 8.523 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.363 -6.140 7.638 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.495 -7.998 9.673 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.614 -5.959 8.785 1.00 0.00 C ATOM 848 CZ TYR A 59 1.683 -6.890 9.799 1.00 0.00 C ATOM 849 OH TYR A 59 0.938 -6.714 10.942 1.00 0.00 O ATOM 0 H TYR A 59 4.001 -7.665 3.364 1.00 0.00 H new ATOM 0 HA TYR A 59 3.326 -9.398 5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.991 -7.821 6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.158 -6.472 5.753 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.877 -9.041 8.428 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.305 -5.409 6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.547 -8.726 10.469 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.978 -5.092 8.886 1.00 0.00 H new ATOM 0 HH TYR A 59 0.422 -5.884 10.871 1.00 0.00 H new ATOM 859 N TYR A 60 0.962 -8.732 5.312 1.00 0.00 N ATOM 860 CA TYR A 60 -0.431 -8.401 5.064 1.00 0.00 C ATOM 861 C TYR A 60 -1.172 -8.115 6.365 1.00 0.00 C ATOM 862 O TYR A 60 -0.718 -8.486 7.448 1.00 0.00 O ATOM 863 CB TYR A 60 -1.114 -9.554 4.332 1.00 0.00 C ATOM 864 CG TYR A 60 -0.898 -9.566 2.831 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.031 -8.668 2.214 1.00 0.00 C ATOM 866 CD2 TYR A 60 -1.564 -10.485 2.029 1.00 0.00 C ATOM 867 CE1 TYR A 60 0.161 -8.687 0.847 1.00 0.00 C ATOM 868 CE2 TYR A 60 -1.375 -10.509 0.661 1.00 0.00 C ATOM 869 CZ TYR A 60 -0.512 -9.609 0.075 1.00 0.00 C ATOM 870 OH TYR A 60 -0.321 -9.631 -1.287 1.00 0.00 O ATOM 0 H TYR A 60 1.105 -9.609 5.814 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.460 -7.502 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.751 -10.495 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.185 -9.510 4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.500 -7.945 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.241 -11.193 2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.836 -7.982 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.901 -11.230 0.053 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.472 -10.539 -1.624 1.00 0.00 H new ATOM 880 N ALA A 61 -2.323 -7.464 6.245 1.00 0.00 N ATOM 881 CA ALA A 61 -3.146 -7.137 7.402 1.00 0.00 C ATOM 882 C ALA A 61 -4.335 -8.086 7.488 1.00 0.00 C ATOM 883 O ALA A 61 -4.698 -8.724 6.499 1.00 0.00 O ATOM 884 CB ALA A 61 -3.619 -5.694 7.325 1.00 0.00 C ATOM 0 H ALA A 61 -2.708 -7.151 5.354 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.544 -7.253 8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.233 -5.465 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.756 -5.029 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.208 -5.552 6.419 1.00 0.00 H new ATOM 890 N SER A 62 -4.940 -8.185 8.667 1.00 0.00 N ATOM 891 CA SER A 62 -6.081 -9.070 8.860 1.00 0.00 C ATOM 892 C SER A 62 -7.379 -8.441 8.361 1.00 0.00 C ATOM 893 O SER A 62 -8.445 -8.646 8.943 1.00 0.00 O ATOM 894 CB SER A 62 -6.216 -9.456 10.334 1.00 0.00 C ATOM 895 OG SER A 62 -5.765 -8.411 11.179 1.00 0.00 O ATOM 0 H SER A 62 -4.660 -7.666 9.499 1.00 0.00 H new ATOM 0 HA SER A 62 -5.899 -9.968 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.257 -9.686 10.559 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.640 -10.361 10.530 1.00 0.00 H new ATOM 0 HG SER A 62 -5.863 -8.682 12.116 1.00 0.00 H new ATOM 901 N SER A 63 -7.284 -7.696 7.269 1.00 0.00 N ATOM 902 CA SER A 63 -8.444 -7.054 6.669 1.00 0.00 C ATOM 903 C SER A 63 -8.664 -7.582 5.254 1.00 0.00 C ATOM 904 O SER A 63 -9.762 -7.484 4.705 1.00 0.00 O ATOM 905 CB SER A 63 -8.259 -5.536 6.639 1.00 0.00 C ATOM 906 OG SER A 63 -9.360 -4.900 6.013 1.00 0.00 O ATOM 0 H SER A 63 -6.408 -7.521 6.777 1.00 0.00 H new ATOM 0 HA SER A 63 -9.320 -7.287 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.148 -5.160 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.341 -5.289 6.106 1.00 0.00 H new ATOM 0 HG SER A 63 -9.218 -3.930 6.008 1.00 0.00 H new ATOM 912 N VAL A 64 -7.606 -8.142 4.669 1.00 0.00 N ATOM 913 CA VAL A 64 -7.671 -8.687 3.321 1.00 0.00 C ATOM 914 C VAL A 64 -6.578 -9.731 3.098 1.00 0.00 C ATOM 915 O VAL A 64 -6.199 -10.005 1.960 1.00 0.00 O ATOM 916 CB VAL A 64 -7.513 -7.575 2.271 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.685 -6.608 2.338 1.00 0.00 C ATOM 918 CG2 VAL A 64 -6.193 -6.846 2.473 1.00 0.00 C ATOM 0 H VAL A 64 -6.692 -8.229 5.113 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.649 -9.156 3.211 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.506 -8.027 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.556 -5.828 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.613 -7.147 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.727 -6.155 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.093 -6.061 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.171 -6.402 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.368 -7.552 2.372 1.00 0.00 H new ATOM 928 N ARG A 65 -6.070 -10.301 4.190 1.00 0.00 N ATOM 929 CA ARG A 65 -5.022 -11.302 4.122 1.00 0.00 C ATOM 930 C ARG A 65 -5.473 -12.509 3.323 1.00 0.00 C ATOM 931 O ARG A 65 -5.870 -13.536 3.873 1.00 0.00 O ATOM 932 CB ARG A 65 -4.612 -11.724 5.527 1.00 0.00 C ATOM 933 CG ARG A 65 -3.168 -12.180 5.626 1.00 0.00 C ATOM 934 CD ARG A 65 -3.053 -13.547 6.282 1.00 0.00 C ATOM 935 NE ARG A 65 -1.799 -14.213 5.939 1.00 0.00 N ATOM 936 CZ ARG A 65 -1.559 -15.504 6.160 1.00 0.00 C ATOM 937 NH1 ARG A 65 -2.485 -16.273 6.721 1.00 0.00 N ATOM 938 NH2 ARG A 65 -0.390 -16.027 5.817 1.00 0.00 N ATOM 0 H ARG A 65 -6.375 -10.080 5.138 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.162 -10.863 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.768 -10.888 6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.263 -12.532 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.729 -12.217 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.595 -11.452 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.121 -13.437 7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.892 -14.170 5.971 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.063 -13.656 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.386 -15.875 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.295 -17.261 6.888 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.324 -15.441 5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.204 -17.016 5.986 1.00 0.00 H new ATOM 952 N GLY A 66 -5.407 -12.357 2.018 1.00 0.00 N ATOM 953 CA GLY A 66 -5.806 -13.411 1.112 1.00 0.00 C ATOM 954 C GLY A 66 -6.646 -12.893 -0.040 1.00 0.00 C ATOM 955 O GLY A 66 -7.090 -13.667 -0.889 1.00 0.00 O ATOM 0 H GLY A 66 -5.078 -11.508 1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.917 -13.904 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.371 -14.164 1.661 1.00 0.00 H new ATOM 959 N ARG A 67 -6.870 -11.581 -0.068 1.00 0.00 N ATOM 960 CA ARG A 67 -7.668 -10.965 -1.124 1.00 0.00 C ATOM 961 C ARG A 67 -6.838 -9.976 -1.939 1.00 0.00 C ATOM 962 O ARG A 67 -7.026 -9.843 -3.148 1.00 0.00 O ATOM 963 CB ARG A 67 -8.882 -10.250 -0.524 1.00 0.00 C ATOM 964 CG ARG A 67 -9.501 -10.981 0.657 1.00 0.00 C ATOM 965 CD ARG A 67 -10.852 -10.394 1.037 1.00 0.00 C ATOM 966 NE ARG A 67 -10.866 -9.898 2.411 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.794 -10.684 3.483 1.00 0.00 C ATOM 968 NH1 ARG A 67 -10.708 -12.001 3.344 1.00 0.00 N ATOM 969 NH2 ARG A 67 -10.808 -10.152 4.698 1.00 0.00 N ATOM 0 H ARG A 67 -6.511 -10.926 0.627 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.009 -11.758 -1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.583 -9.251 -0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.638 -10.125 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.619 -12.036 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.827 -10.927 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.098 -9.580 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.624 -11.154 0.918 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.935 -8.891 2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.697 -12.416 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.653 -12.598 4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.874 -9.140 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.753 -10.754 5.519 1.00 0.00 H new ATOM 983 N PHE A 68 -5.929 -9.279 -1.267 1.00 0.00 N ATOM 984 CA PHE A 68 -5.079 -8.294 -1.926 1.00 0.00 C ATOM 985 C PHE A 68 -3.754 -8.910 -2.366 1.00 0.00 C ATOM 986 O PHE A 68 -3.341 -9.951 -1.856 1.00 0.00 O ATOM 987 CB PHE A 68 -4.817 -7.113 -0.987 1.00 0.00 C ATOM 988 CG PHE A 68 -5.986 -6.174 -0.832 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.282 -6.593 -1.100 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.783 -4.870 -0.411 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.350 -5.727 -0.952 1.00 0.00 C ATOM 992 CE2 PHE A 68 -6.847 -4.001 -0.262 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.132 -4.430 -0.532 1.00 0.00 C ATOM 0 H PHE A 68 -5.761 -9.378 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.602 -7.942 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.543 -7.498 -0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.961 -6.551 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.458 -7.607 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.781 -4.528 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.353 -6.065 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.674 -2.987 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.965 -3.752 -0.415 1.00 0.00 H new ATOM 1003 N THR A 69 -3.092 -8.255 -3.315 1.00 0.00 N ATOM 1004 CA THR A 69 -1.810 -8.729 -3.827 1.00 0.00 C ATOM 1005 C THR A 69 -0.774 -7.611 -3.802 1.00 0.00 C ATOM 1006 O THR A 69 -1.120 -6.431 -3.831 1.00 0.00 O ATOM 1007 CB THR A 69 -1.970 -9.260 -5.252 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.952 -10.279 -5.301 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.690 -9.827 -5.826 1.00 0.00 C ATOM 0 H THR A 69 -3.423 -7.392 -3.746 1.00 0.00 H new ATOM 0 HA THR A 69 -1.465 -9.538 -3.184 1.00 0.00 H new ATOM 0 HB THR A 69 -2.267 -8.398 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.929 -10.713 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.873 -10.186 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.074 -9.050 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.347 -10.654 -5.204 1.00 0.00 H new ATOM 1017 N ILE A 70 0.496 -7.994 -3.740 1.00 0.00 N ATOM 1018 CA ILE A 70 1.588 -7.029 -3.702 1.00 0.00 C ATOM 1019 C ILE A 70 2.765 -7.503 -4.550 1.00 0.00 C ATOM 1020 O ILE A 70 3.049 -8.699 -4.619 1.00 0.00 O ATOM 1021 CB ILE A 70 2.059 -6.796 -2.254 1.00 0.00 C ATOM 1022 CG1 ILE A 70 3.216 -5.793 -2.207 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.464 -8.115 -1.617 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.787 -4.363 -2.458 1.00 0.00 C ATOM 0 H ILE A 70 0.795 -8.969 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 70 1.213 -6.091 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 70 1.230 -6.374 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.699 -5.853 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.962 -6.076 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.795 -7.938 -0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.611 -8.793 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.277 -8.561 -2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.657 -3.708 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.331 -4.288 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.064 -4.062 -1.700 1.00 0.00 H new ATOM 1036 N SER A 71 3.448 -6.560 -5.193 1.00 0.00 N ATOM 1037 CA SER A 71 4.594 -6.890 -6.033 1.00 0.00 C ATOM 1038 C SER A 71 5.518 -5.687 -6.193 1.00 0.00 C ATOM 1039 O SER A 71 5.180 -4.573 -5.793 1.00 0.00 O ATOM 1040 CB SER A 71 4.124 -7.375 -7.406 1.00 0.00 C ATOM 1041 OG SER A 71 2.861 -6.825 -7.738 1.00 0.00 O ATOM 0 H SER A 71 3.228 -5.565 -5.149 1.00 0.00 H new ATOM 0 HA SER A 71 5.152 -7.689 -5.545 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.856 -7.095 -8.164 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.062 -8.463 -7.409 1.00 0.00 H new ATOM 0 HG SER A 71 2.585 -7.149 -8.620 1.00 0.00 H new ATOM 1047 N ARG A 72 6.687 -5.921 -6.780 1.00 0.00 N ATOM 1048 CA ARG A 72 7.662 -4.858 -6.994 1.00 0.00 C ATOM 1049 C ARG A 72 8.220 -4.910 -8.413 1.00 0.00 C ATOM 1050 O ARG A 72 8.449 -5.988 -8.961 1.00 0.00 O ATOM 1051 CB ARG A 72 8.804 -4.972 -5.981 1.00 0.00 C ATOM 1052 CG ARG A 72 9.321 -6.391 -5.803 1.00 0.00 C ATOM 1053 CD ARG A 72 10.401 -6.461 -4.734 1.00 0.00 C ATOM 1054 NE ARG A 72 11.737 -6.582 -5.313 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.860 -6.330 -4.644 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.812 -5.943 -3.376 1.00 0.00 N ATOM 1057 NH2 ARG A 72 14.033 -6.466 -5.245 1.00 0.00 N ATOM 0 H ARG A 72 6.982 -6.838 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 72 7.156 -3.902 -6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.627 -4.332 -6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.462 -4.595 -5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.495 -7.049 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.720 -6.755 -6.750 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.355 -5.567 -4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.210 -7.313 -4.081 1.00 0.00 H new ATOM 0 HE ARG A 72 11.814 -6.877 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.911 -5.837 -2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.676 -5.751 -2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.075 -6.764 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.894 -6.273 -4.733 1.00 0.00 H new ATOM 1071 N ASP A 73 8.438 -3.739 -9.003 1.00 0.00 N ATOM 1072 CA ASP A 73 8.971 -3.657 -10.359 1.00 0.00 C ATOM 1073 C ASP A 73 10.491 -3.803 -10.365 1.00 0.00 C ATOM 1074 O ASP A 73 11.088 -4.094 -11.401 1.00 0.00 O ATOM 1075 CB ASP A 73 8.571 -2.332 -11.010 1.00 0.00 C ATOM 1076 CG ASP A 73 9.034 -2.230 -12.450 1.00 0.00 C ATOM 1077 OD1 ASP A 73 9.395 -3.274 -13.034 1.00 0.00 O ATOM 1078 OD2 ASP A 73 9.035 -1.106 -12.995 1.00 0.00 O ATOM 0 H ASP A 73 8.255 -2.836 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 73 8.547 -4.480 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.487 -2.225 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.993 -1.507 -10.437 1.00 0.00 H new ATOM 1083 N ASN A 74 11.113 -3.595 -9.203 1.00 0.00 N ATOM 1084 CA ASN A 74 12.566 -3.701 -9.070 1.00 0.00 C ATOM 1085 C ASN A 74 13.284 -3.007 -10.226 1.00 0.00 C ATOM 1086 O ASN A 74 14.379 -3.407 -10.620 1.00 0.00 O ATOM 1087 CB ASN A 74 12.992 -5.170 -8.991 1.00 0.00 C ATOM 1088 CG ASN A 74 12.704 -5.933 -10.270 1.00 0.00 C ATOM 1089 OD1 ASN A 74 13.453 -5.843 -11.242 1.00 0.00 O ATOM 1090 ND2 ASN A 74 11.613 -6.689 -10.274 1.00 0.00 N ATOM 0 H ASN A 74 10.631 -3.351 -8.338 1.00 0.00 H new ATOM 0 HA ASN A 74 12.851 -3.199 -8.145 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.059 -5.223 -8.773 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.473 -5.650 -8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.367 -7.225 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.020 -6.734 -9.445 1.00 0.00 H new ATOM 1097 N ALA A 75 12.658 -1.964 -10.762 1.00 0.00 N ATOM 1098 CA ALA A 75 13.233 -1.211 -11.867 1.00 0.00 C ATOM 1099 C ALA A 75 13.597 0.202 -11.430 1.00 0.00 C ATOM 1100 O ALA A 75 14.771 0.520 -11.234 1.00 0.00 O ATOM 1101 CB ALA A 75 12.267 -1.172 -13.041 1.00 0.00 C ATOM 0 H ALA A 75 11.750 -1.622 -10.447 1.00 0.00 H new ATOM 0 HA ALA A 75 14.147 -1.714 -12.183 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.711 -0.605 -13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.059 -2.189 -13.375 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.337 -0.694 -12.732 1.00 0.00 H new ATOM 1107 N LYS A 76 12.583 1.046 -11.272 1.00 0.00 N ATOM 1108 CA LYS A 76 12.797 2.425 -10.850 1.00 0.00 C ATOM 1109 C LYS A 76 12.360 2.625 -9.401 1.00 0.00 C ATOM 1110 O LYS A 76 12.051 3.742 -8.984 1.00 0.00 O ATOM 1111 CB LYS A 76 12.037 3.388 -11.766 1.00 0.00 C ATOM 1112 CG LYS A 76 10.525 3.251 -11.676 1.00 0.00 C ATOM 1113 CD LYS A 76 9.868 4.556 -11.251 1.00 0.00 C ATOM 1114 CE LYS A 76 10.173 5.679 -12.230 1.00 0.00 C ATOM 1115 NZ LYS A 76 9.003 6.579 -12.425 1.00 0.00 N ATOM 0 H LYS A 76 11.606 0.799 -11.430 1.00 0.00 H new ATOM 0 HA LYS A 76 13.864 2.638 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.316 4.411 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.348 3.217 -12.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.129 2.942 -12.643 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.272 2.467 -10.963 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.789 4.416 -11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.218 4.834 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.020 6.259 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.468 5.254 -13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.252 7.331 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.202 6.031 -12.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.737 7.005 -11.514 1.00 0.00 H new ATOM 1129 N LYS A 77 12.336 1.535 -8.637 1.00 0.00 N ATOM 1130 CA LYS A 77 11.939 1.587 -7.234 1.00 0.00 C ATOM 1131 C LYS A 77 10.445 1.867 -7.100 1.00 0.00 C ATOM 1132 O LYS A 77 10.041 2.888 -6.541 1.00 0.00 O ATOM 1133 CB LYS A 77 12.743 2.655 -6.487 1.00 0.00 C ATOM 1134 CG LYS A 77 12.993 2.317 -5.026 1.00 0.00 C ATOM 1135 CD LYS A 77 11.722 2.439 -4.200 1.00 0.00 C ATOM 1136 CE LYS A 77 10.912 1.153 -4.227 1.00 0.00 C ATOM 1137 NZ LYS A 77 9.454 1.418 -4.372 1.00 0.00 N ATOM 0 H LYS A 77 12.588 0.604 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 77 12.148 0.614 -6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.701 2.794 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.212 3.605 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.383 1.302 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.756 2.983 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.979 2.686 -3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.116 3.260 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.251 0.528 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.090 0.593 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.994 0.597 -4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.036 1.583 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.311 2.259 -4.968 1.00 0.00 H new ATOM 1151 N THR A 78 9.628 0.953 -7.613 1.00 0.00 N ATOM 1152 CA THR A 78 8.179 1.104 -7.546 1.00 0.00 C ATOM 1153 C THR A 78 7.515 -0.168 -7.036 1.00 0.00 C ATOM 1154 O THR A 78 7.943 -1.281 -7.352 1.00 0.00 O ATOM 1155 CB THR A 78 7.608 1.463 -8.918 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.198 2.651 -9.414 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.105 1.664 -8.908 1.00 0.00 C ATOM 0 H THR A 78 9.943 0.102 -8.079 1.00 0.00 H new ATOM 0 HA THR A 78 7.968 1.913 -6.847 1.00 0.00 H new ATOM 0 HB THR A 78 7.840 0.612 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.514 3.197 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.765 1.916 -9.912 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.617 0.746 -8.580 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.851 2.474 -8.225 1.00 0.00 H new ATOM 1165 N VAL A 79 6.457 0.011 -6.257 1.00 0.00 N ATOM 1166 CA VAL A 79 5.708 -1.107 -5.706 1.00 0.00 C ATOM 1167 C VAL A 79 4.284 -1.109 -6.248 1.00 0.00 C ATOM 1168 O VAL A 79 3.718 -0.052 -6.527 1.00 0.00 O ATOM 1169 CB VAL A 79 5.667 -1.058 -4.168 1.00 0.00 C ATOM 1170 CG1 VAL A 79 7.074 -1.141 -3.594 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.961 0.200 -3.686 1.00 0.00 C ATOM 0 H VAL A 79 6.097 0.928 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 79 6.218 -2.021 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 79 5.101 -1.919 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.026 -1.105 -2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.540 -2.076 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.666 -0.302 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.944 0.213 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.493 1.078 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.939 0.212 -4.065 1.00 0.00 H new ATOM 1181 N TYR A 80 3.709 -2.294 -6.404 1.00 0.00 N ATOM 1182 CA TYR A 80 2.355 -2.414 -6.923 1.00 0.00 C ATOM 1183 C TYR A 80 1.542 -3.410 -6.105 1.00 0.00 C ATOM 1184 O TYR A 80 1.967 -4.544 -5.888 1.00 0.00 O ATOM 1185 CB TYR A 80 2.386 -2.844 -8.389 1.00 0.00 C ATOM 1186 CG TYR A 80 3.240 -1.966 -9.266 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.616 -1.920 -9.103 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.666 -1.193 -10.265 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.399 -1.126 -9.914 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.442 -0.396 -11.078 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.806 -0.368 -10.898 1.00 0.00 C ATOM 1192 OH TYR A 80 5.584 0.425 -11.711 1.00 0.00 O ATOM 0 H TYR A 80 4.158 -3.182 -6.179 1.00 0.00 H new ATOM 0 HA TYR A 80 1.877 -1.437 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.754 -3.868 -8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.368 -2.848 -8.778 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.081 -2.514 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.596 -1.216 -10.407 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.470 -1.099 -9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.983 0.202 -11.851 1.00 0.00 H new ATOM 0 HH TYR A 80 5.012 0.895 -12.354 1.00 0.00 H new ATOM 1202 N LEU A 81 0.367 -2.980 -5.655 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.506 -3.835 -4.866 1.00 0.00 C ATOM 1204 C LEU A 81 -1.864 -3.980 -5.547 1.00 0.00 C ATOM 1205 O LEU A 81 -2.583 -2.999 -5.742 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.644 -3.277 -3.437 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.061 -2.903 -2.979 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.196 -3.079 -1.474 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.394 -1.474 -3.384 1.00 0.00 C ATOM 0 H LEU A 81 -0.000 -2.044 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.065 -4.829 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.246 -4.017 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.014 -2.391 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.770 -3.571 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.206 -2.810 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.001 -4.118 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.478 -2.435 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.402 -1.227 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.682 -0.790 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.337 -1.381 -4.468 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.202 -5.211 -5.912 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.463 -5.495 -6.576 1.00 0.00 C ATOM 1223 C GLN A 82 -4.536 -5.891 -5.568 1.00 0.00 C ATOM 1224 O GLN A 82 -4.544 -7.014 -5.064 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.265 -6.612 -7.592 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.136 -6.475 -8.830 1.00 0.00 C ATOM 1227 CD GLN A 82 -4.958 -7.719 -9.107 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -6.126 -7.633 -9.485 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.350 -8.884 -8.921 1.00 0.00 N ATOM 0 H GLN A 82 -1.615 -6.031 -5.757 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.796 -4.591 -7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.218 -6.633 -7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.477 -7.568 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.804 -5.623 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.504 -6.262 -9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.380 -8.909 -8.607 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.853 -9.755 -9.092 1.00 0.00 H new ATOM 1238 N MET A 83 -5.440 -4.963 -5.278 1.00 0.00 N ATOM 1239 CA MET A 83 -6.516 -5.216 -4.330 1.00 0.00 C ATOM 1240 C MET A 83 -7.661 -5.971 -4.995 1.00 0.00 C ATOM 1241 O MET A 83 -8.601 -5.365 -5.510 1.00 0.00 O ATOM 1242 CB MET A 83 -7.030 -3.899 -3.748 1.00 0.00 C ATOM 1243 CG MET A 83 -5.933 -2.989 -3.243 1.00 0.00 C ATOM 1244 SD MET A 83 -6.563 -1.426 -2.602 1.00 0.00 S ATOM 1245 CE MET A 83 -7.687 -0.952 -3.913 1.00 0.00 C ATOM 0 H MET A 83 -5.449 -4.028 -5.686 1.00 0.00 H new ATOM 0 HA MET A 83 -6.118 -5.832 -3.524 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.603 -3.373 -4.512 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.715 -4.117 -2.929 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.375 -3.500 -2.458 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.232 -2.788 -4.053 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.703 0.134 -4.004 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.354 -1.390 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.689 -1.311 -3.680 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.576 -7.297 -4.983 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.601 -8.134 -5.582 1.00 0.00 C ATOM 1257 C ASN A 84 -9.695 -8.458 -4.572 1.00 0.00 C ATOM 1258 O ASN A 84 -9.602 -8.087 -3.402 1.00 0.00 O ATOM 1259 CB ASN A 84 -7.995 -9.432 -6.125 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.477 -9.412 -6.187 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.875 -8.429 -6.618 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.854 -10.503 -5.757 1.00 0.00 N ATOM 0 H ASN A 84 -6.804 -7.814 -4.563 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.041 -7.578 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.314 -10.264 -5.497 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.389 -9.618 -7.124 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.835 -10.549 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.394 -11.295 -5.408 1.00 0.00 H new ATOM 1269 N SER A 85 -10.726 -9.162 -5.038 1.00 0.00 N ATOM 1270 CA SER A 85 -11.852 -9.558 -4.190 1.00 0.00 C ATOM 1271 C SER A 85 -12.193 -8.481 -3.160 1.00 0.00 C ATOM 1272 O SER A 85 -12.410 -8.777 -1.984 1.00 0.00 O ATOM 1273 CB SER A 85 -11.534 -10.875 -3.483 1.00 0.00 C ATOM 1274 OG SER A 85 -12.696 -11.673 -3.338 1.00 0.00 O ATOM 0 H SER A 85 -10.805 -9.472 -6.006 1.00 0.00 H new ATOM 0 HA SER A 85 -12.722 -9.689 -4.833 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.782 -11.423 -4.051 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.106 -10.670 -2.502 1.00 0.00 H new ATOM 0 HG SER A 85 -12.464 -12.510 -2.884 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.235 -7.230 -3.609 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.544 -6.112 -2.728 1.00 0.00 C ATOM 1282 C LEU A 86 -13.912 -6.290 -2.080 1.00 0.00 C ATOM 1283 O LEU A 86 -14.770 -7.004 -2.600 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.496 -4.795 -3.505 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.507 -3.762 -2.962 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.109 -4.033 -3.495 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.952 -2.353 -3.324 1.00 0.00 C ATOM 0 H LEU A 86 -12.059 -6.967 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.793 -6.085 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.240 -5.011 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.493 -4.355 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.484 -3.846 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.418 -3.289 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.788 -5.028 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.117 -3.977 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.236 -1.632 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.005 -2.255 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.935 -2.160 -2.894 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.105 -5.640 -0.939 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.371 -5.730 -0.210 1.00 0.00 C ATOM 1301 C LYS A 87 -15.975 -4.341 0.019 1.00 0.00 C ATOM 1302 O LYS A 87 -15.337 -3.323 -0.252 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.160 -6.440 1.133 1.00 0.00 C ATOM 1304 CG LYS A 87 -14.075 -7.506 1.103 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.528 -8.738 0.337 1.00 0.00 C ATOM 1306 CE LYS A 87 -15.735 -9.389 0.993 1.00 0.00 C ATOM 1307 NZ LYS A 87 -17.018 -8.880 0.432 1.00 0.00 N ATOM 0 H LYS A 87 -13.405 -5.045 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.069 -6.310 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.905 -5.698 1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.099 -6.900 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.176 -7.099 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.810 -7.787 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.775 -8.460 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.710 -9.456 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.683 -10.469 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.709 -9.202 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.564 -8.411 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.819 -8.198 -0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.569 -9.675 0.048 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.220 -4.274 0.526 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.895 -3.002 0.783 1.00 0.00 C ATOM 1323 C PRO A 88 -17.481 -2.367 2.110 1.00 0.00 C ATOM 1324 O PRO A 88 -18.100 -1.406 2.566 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.366 -3.404 0.818 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.359 -4.797 1.349 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.069 -5.428 0.884 1.00 0.00 C ATOM 0 HA PRO A 88 -17.652 -2.250 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.944 -2.738 1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.813 -3.360 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.420 -4.797 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.219 -5.357 0.981 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.613 -6.031 1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.231 -6.086 0.030 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.432 -2.906 2.724 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.940 -2.387 3.996 1.00 0.00 C ATOM 1337 C GLU A 89 -14.503 -1.880 3.872 1.00 0.00 C ATOM 1338 O GLU A 89 -13.959 -1.304 4.815 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.016 -3.472 5.072 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.436 -3.893 5.414 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.531 -5.353 5.814 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.091 -5.692 6.932 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -18.045 -6.157 5.008 1.00 0.00 O ATOM 0 H GLU A 89 -15.906 -3.702 2.362 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.573 -1.547 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.458 -4.346 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.526 -3.110 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.809 -3.272 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.081 -3.713 4.554 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.888 -2.098 2.711 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.514 -1.662 2.481 1.00 0.00 C ATOM 1352 C ASP A 90 -12.460 -0.215 1.991 1.00 0.00 C ATOM 1353 O ASP A 90 -11.393 0.399 1.976 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.820 -2.584 1.473 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.771 -3.171 0.468 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.400 -4.193 0.799 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.889 -2.619 -0.645 1.00 0.00 O ATOM 0 H ASP A 90 -14.319 -2.573 1.918 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.988 -1.716 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.045 -2.024 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.322 -3.392 2.010 1.00 0.00 H new ATOM 1362 N THR A 91 -13.609 0.329 1.591 1.00 0.00 N ATOM 1363 CA THR A 91 -13.677 1.696 1.105 1.00 0.00 C ATOM 1364 C THR A 91 -13.090 2.678 2.116 1.00 0.00 C ATOM 1365 O THR A 91 -13.645 2.879 3.196 1.00 0.00 O ATOM 1366 CB THR A 91 -15.130 2.045 0.806 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.639 1.191 -0.199 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.333 3.474 0.347 1.00 0.00 C ATOM 0 H THR A 91 -14.503 -0.161 1.596 1.00 0.00 H new ATOM 0 HA THR A 91 -13.083 1.774 0.194 1.00 0.00 H new ATOM 0 HB THR A 91 -15.660 1.918 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.611 1.300 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.392 3.647 0.154 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.989 4.158 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.764 3.647 -0.567 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.963 3.286 1.756 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.298 4.246 2.630 1.00 0.00 C ATOM 1378 C ALA A 92 -10.174 4.972 1.897 1.00 0.00 C ATOM 1379 O ALA A 92 -10.028 4.845 0.681 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.758 3.542 3.865 1.00 0.00 C ATOM 0 H ALA A 92 -11.492 3.130 0.865 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.032 4.991 2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.264 4.268 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.581 3.076 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.042 2.777 3.564 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.378 5.729 2.646 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.263 6.469 2.074 1.00 0.00 C ATOM 1388 C VAL A 93 -6.973 5.661 2.182 1.00 0.00 C ATOM 1389 O VAL A 93 -6.401 5.533 3.264 1.00 0.00 O ATOM 1390 CB VAL A 93 -8.082 7.824 2.786 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.847 8.551 2.271 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.324 8.685 2.614 1.00 0.00 C ATOM 0 H VAL A 93 -9.487 5.845 3.654 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.486 6.649 1.022 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.939 7.633 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.743 9.504 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.963 7.940 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.950 8.730 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.179 9.638 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.499 8.863 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.185 8.172 3.043 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.526 5.108 1.059 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.320 4.307 1.028 1.00 0.00 C ATOM 1404 C TYR A 94 -4.087 5.181 0.824 1.00 0.00 C ATOM 1405 O TYR A 94 -3.887 5.748 -0.250 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.431 3.281 -0.094 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.026 1.962 0.342 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.403 1.786 0.393 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.214 0.893 0.701 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -7.955 0.583 0.789 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -5.759 -0.314 1.097 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.129 -0.464 1.140 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.676 -1.664 1.533 1.00 0.00 O ATOM 0 H TYR A 94 -6.989 5.205 0.155 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.210 3.796 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.042 3.697 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.439 3.102 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.053 2.604 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.140 1.007 0.670 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.028 0.463 0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.115 -1.136 1.372 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.538 -1.793 1.085 1.00 0.00 H new ATOM 1423 N THR A 95 -3.265 5.288 1.861 1.00 0.00 N ATOM 1424 CA THR A 95 -2.054 6.095 1.795 1.00 0.00 C ATOM 1425 C THR A 95 -0.809 5.212 1.779 1.00 0.00 C ATOM 1426 O THR A 95 -0.634 4.352 2.642 1.00 0.00 O ATOM 1427 CB THR A 95 -2.006 7.066 2.980 1.00 0.00 C ATOM 1428 OG1 THR A 95 -1.122 8.146 2.720 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.569 6.420 4.280 1.00 0.00 C ATOM 0 H THR A 95 -3.416 4.826 2.758 1.00 0.00 H new ATOM 0 HA THR A 95 -2.072 6.668 0.868 1.00 0.00 H new ATOM 0 HB THR A 95 -3.032 7.415 3.095 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.110 8.752 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.559 7.168 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.265 5.623 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.569 6.004 4.161 1.00 0.00 H new ATOM 1437 N CYS A 96 0.055 5.433 0.794 1.00 0.00 N ATOM 1438 CA CYS A 96 1.284 4.660 0.672 1.00 0.00 C ATOM 1439 C CYS A 96 2.324 5.147 1.674 1.00 0.00 C ATOM 1440 O CYS A 96 2.393 6.339 1.978 1.00 0.00 O ATOM 1441 CB CYS A 96 1.839 4.762 -0.750 1.00 0.00 C ATOM 1442 SG CYS A 96 3.397 3.853 -1.010 1.00 0.00 S ATOM 0 H CYS A 96 -0.073 6.140 0.070 1.00 0.00 H new ATOM 0 HA CYS A 96 1.054 3.616 0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.091 4.386 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.000 5.813 -0.991 1.00 0.00 H new ATOM 1447 N GLY A 97 3.130 4.222 2.186 1.00 0.00 N ATOM 1448 CA GLY A 97 4.150 4.585 3.150 1.00 0.00 C ATOM 1449 C GLY A 97 5.354 3.665 3.102 1.00 0.00 C ATOM 1450 O GLY A 97 5.307 2.594 2.492 1.00 0.00 O ATOM 0 H GLY A 97 3.094 3.230 1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.473 5.609 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.721 4.564 4.152 1.00 0.00 H new ATOM 1454 N ALA A 98 6.436 4.086 3.750 1.00 0.00 N ATOM 1455 CA ALA A 98 7.662 3.300 3.784 1.00 0.00 C ATOM 1456 C ALA A 98 8.189 3.172 5.209 1.00 0.00 C ATOM 1457 O ALA A 98 7.980 4.056 6.040 1.00 0.00 O ATOM 1458 CB ALA A 98 8.715 3.928 2.883 1.00 0.00 C ATOM 0 H ALA A 98 6.487 4.968 4.259 1.00 0.00 H new ATOM 0 HA ALA A 98 7.436 2.299 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.626 3.331 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.343 3.964 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.931 4.940 3.226 1.00 0.00 H new ATOM 1464 N GLY A 99 8.867 2.064 5.487 1.00 0.00 N ATOM 1465 CA GLY A 99 9.406 1.840 6.814 1.00 0.00 C ATOM 1466 C GLY A 99 10.863 2.242 6.932 1.00 0.00 C ATOM 1467 O GLY A 99 11.542 2.450 5.926 1.00 0.00 O ATOM 0 H GLY A 99 9.053 1.318 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.819 2.403 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.303 0.785 7.070 1.00 0.00 H new ATOM 1471 N GLU A 100 11.344 2.352 8.168 1.00 0.00 N ATOM 1472 CA GLU A 100 12.729 2.732 8.421 1.00 0.00 C ATOM 1473 C GLU A 100 13.171 2.280 9.810 1.00 0.00 C ATOM 1474 O GLU A 100 12.667 2.767 10.822 1.00 0.00 O ATOM 1475 CB GLU A 100 12.897 4.247 8.288 1.00 0.00 C ATOM 1476 CG GLU A 100 12.922 4.731 6.848 1.00 0.00 C ATOM 1477 CD GLU A 100 13.312 6.191 6.730 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.092 6.668 7.581 1.00 0.00 O ATOM 1479 OE2 GLU A 100 12.838 6.858 5.786 1.00 0.00 O ATOM 0 H GLU A 100 10.793 2.183 9.010 1.00 0.00 H new ATOM 0 HA GLU A 100 13.357 2.238 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.082 4.742 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.823 4.546 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.624 4.124 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.938 4.584 6.402 1.00 0.00 H new ATOM 1486 N GLY A 101 14.114 1.344 9.849 1.00 0.00 N ATOM 1487 CA GLY A 101 14.609 0.840 11.112 1.00 0.00 C ATOM 1488 C GLY A 101 13.530 0.170 11.942 1.00 0.00 C ATOM 1489 O GLY A 101 13.704 -0.041 13.142 1.00 0.00 O ATOM 0 H GLY A 101 14.544 0.926 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.411 0.127 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.041 1.663 11.682 1.00 0.00 H new ATOM 1493 N GLY A 102 12.412 -0.165 11.304 1.00 0.00 N ATOM 1494 CA GLY A 102 11.321 -0.810 12.010 1.00 0.00 C ATOM 1495 C GLY A 102 10.107 0.089 12.148 1.00 0.00 C ATOM 1496 O GLY A 102 9.010 -0.381 12.451 1.00 0.00 O ATOM 0 H GLY A 102 12.243 -0.001 10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.037 -1.720 11.481 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.661 -1.111 13.001 1.00 0.00 H new ATOM 1500 N THR A 103 10.302 1.385 11.927 1.00 0.00 N ATOM 1501 CA THR A 103 9.223 2.352 12.029 1.00 0.00 C ATOM 1502 C THR A 103 8.651 2.658 10.648 1.00 0.00 C ATOM 1503 O THR A 103 9.113 2.118 9.644 1.00 0.00 O ATOM 1504 CB THR A 103 9.756 3.629 12.670 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.594 3.323 13.771 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.678 4.569 13.165 1.00 0.00 C ATOM 0 H THR A 103 11.204 1.788 11.675 1.00 0.00 H new ATOM 0 HA THR A 103 8.425 1.938 12.646 1.00 0.00 H new ATOM 0 HB THR A 103 10.304 4.133 11.874 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.928 4.154 14.169 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.140 5.452 13.607 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.046 4.870 12.330 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.071 4.063 13.916 1.00 0.00 H new ATOM 1514 N TRP A 104 7.650 3.528 10.603 1.00 0.00 N ATOM 1515 CA TRP A 104 7.020 3.908 9.344 1.00 0.00 C ATOM 1516 C TRP A 104 6.661 5.390 9.341 1.00 0.00 C ATOM 1517 O TRP A 104 5.573 5.777 9.767 1.00 0.00 O ATOM 1518 CB TRP A 104 5.769 3.065 9.100 1.00 0.00 C ATOM 1519 CG TRP A 104 6.066 1.606 8.960 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.219 0.702 9.969 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.258 0.884 7.739 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.488 -0.542 9.451 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.518 -0.456 8.083 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.232 1.241 6.388 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.751 -1.438 7.123 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.465 0.266 5.437 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.720 -1.060 5.808 1.00 0.00 C ATOM 0 H TRP A 104 7.256 3.985 11.425 1.00 0.00 H new ATOM 0 HA TRP A 104 7.733 3.725 8.540 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.073 3.211 9.926 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.271 3.417 8.197 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.140 0.930 11.022 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.640 -1.391 9.995 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.033 2.261 6.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.949 -2.461 7.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.450 0.531 4.390 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.896 -1.799 5.041 1.00 0.00 H new ATOM 1538 N ASP A 105 7.586 6.213 8.860 1.00 0.00 N ATOM 1539 CA ASP A 105 7.374 7.653 8.801 1.00 0.00 C ATOM 1540 C ASP A 105 7.121 8.115 7.365 1.00 0.00 C ATOM 1541 O ASP A 105 6.595 9.205 7.141 1.00 0.00 O ATOM 1542 CB ASP A 105 8.577 8.384 9.399 1.00 0.00 C ATOM 1543 CG ASP A 105 8.606 9.863 9.057 1.00 0.00 C ATOM 1544 OD1 ASP A 105 7.719 10.601 9.535 1.00 0.00 O ATOM 1545 OD2 ASP A 105 9.517 10.282 8.311 1.00 0.00 O ATOM 0 H ASP A 105 8.492 5.906 8.505 1.00 0.00 H new ATOM 0 HA ASP A 105 6.488 7.894 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.563 8.268 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.494 7.916 9.040 1.00 0.00 H new ATOM 1550 N SER A 106 7.495 7.283 6.395 1.00 0.00 N ATOM 1551 CA SER A 106 7.300 7.619 4.989 1.00 0.00 C ATOM 1552 C SER A 106 5.836 7.468 4.595 1.00 0.00 C ATOM 1553 O SER A 106 5.215 6.439 4.860 1.00 0.00 O ATOM 1554 CB SER A 106 8.171 6.731 4.095 1.00 0.00 C ATOM 1555 OG SER A 106 7.651 6.657 2.779 1.00 0.00 O ATOM 0 H SER A 106 7.933 6.376 6.557 1.00 0.00 H new ATOM 0 HA SER A 106 7.596 8.659 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.186 7.126 4.065 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.231 5.730 4.521 1.00 0.00 H new ATOM 0 HG SER A 106 6.820 6.137 2.784 1.00 0.00 H new ATOM 1561 N TRP A 107 5.295 8.496 3.953 1.00 0.00 N ATOM 1562 CA TRP A 107 3.907 8.476 3.512 1.00 0.00 C ATOM 1563 C TRP A 107 3.774 9.089 2.125 1.00 0.00 C ATOM 1564 O TRP A 107 4.686 9.760 1.639 1.00 0.00 O ATOM 1565 CB TRP A 107 3.016 9.229 4.499 1.00 0.00 C ATOM 1566 CG TRP A 107 3.209 8.803 5.922 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.879 9.482 6.899 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.725 7.600 6.529 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.842 8.773 8.076 1.00 0.00 N ATOM 1570 CE2 TRP A 107 3.139 7.614 7.874 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.981 6.512 6.064 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.833 6.582 8.758 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.679 5.489 6.942 1.00 0.00 C ATOM 1574 CH2 TRP A 107 2.103 5.530 8.276 1.00 0.00 C ATOM 0 H TRP A 107 5.797 9.354 3.726 1.00 0.00 H new ATOM 0 HA TRP A 107 3.584 7.436 3.469 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.218 10.297 4.417 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.973 9.080 4.222 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.367 10.436 6.766 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.268 9.062 8.956 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.648 6.472 5.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 3.160 6.611 9.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 1.106 4.643 6.593 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.849 4.715 8.937 1.00 0.00 H new ATOM 1585 N GLY A 108 2.633 8.854 1.493 1.00 0.00 N ATOM 1586 CA GLY A 108 2.396 9.389 0.166 1.00 0.00 C ATOM 1587 C GLY A 108 1.350 10.485 0.160 1.00 0.00 C ATOM 1588 O GLY A 108 1.113 11.132 1.181 1.00 0.00 O ATOM 0 H GLY A 108 1.866 8.302 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.330 9.781 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.077 8.583 -0.495 1.00 0.00 H new ATOM 1592 N GLN A 109 0.722 10.693 -0.991 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.306 11.716 -1.127 1.00 0.00 C ATOM 1594 C GLN A 109 -1.671 11.173 -0.717 1.00 0.00 C ATOM 1595 O GLN A 109 -2.557 11.927 -0.313 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.357 12.223 -2.565 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.870 13.648 -2.691 1.00 0.00 C ATOM 1598 CD GLN A 109 0.236 14.643 -2.984 1.00 0.00 C ATOM 1599 OE1 GLN A 109 1.419 14.312 -2.913 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -0.146 15.872 -3.314 1.00 0.00 N ATOM 0 H GLN A 109 0.907 10.166 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.052 12.544 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.642 12.166 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.996 11.563 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.614 13.693 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.373 13.932 -1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.139 16.102 -3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.553 16.585 -3.521 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.832 9.858 -0.825 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.087 9.228 -0.465 1.00 0.00 C ATOM 1611 C GLY A 110 -3.938 8.900 -1.675 1.00 0.00 C ATOM 1612 O GLY A 110 -3.874 9.587 -2.694 1.00 0.00 O ATOM 0 H GLY A 110 -1.112 9.216 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.884 8.313 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.644 9.888 0.199 1.00 0.00 H new ATOM 1616 N THR A 111 -4.740 7.849 -1.559 1.00 0.00 N ATOM 1617 CA THR A 111 -5.614 7.429 -2.646 1.00 0.00 C ATOM 1618 C THR A 111 -6.840 6.718 -2.089 1.00 0.00 C ATOM 1619 O THR A 111 -6.732 5.645 -1.499 1.00 0.00 O ATOM 1620 CB THR A 111 -4.862 6.511 -3.615 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.755 5.936 -4.551 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.128 5.379 -2.929 1.00 0.00 C ATOM 0 H THR A 111 -4.803 7.271 -0.721 1.00 0.00 H new ATOM 0 HA THR A 111 -5.939 8.315 -3.192 1.00 0.00 H new ATOM 0 HB THR A 111 -4.128 7.151 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.948 5.011 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.619 4.770 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.395 5.789 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.841 4.762 -2.382 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.007 7.325 -2.267 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.241 6.755 -1.772 1.00 0.00 C ATOM 1632 C GLN A 112 -9.744 5.651 -2.697 1.00 0.00 C ATOM 1633 O GLN A 112 -9.715 5.788 -3.921 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.286 7.860 -1.636 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.977 7.897 -0.282 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.380 7.333 -0.324 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.538 6.213 -1.011 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.310 7.898 0.253 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.118 8.215 -2.753 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.058 6.307 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.807 8.823 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.039 7.731 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.385 7.333 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.015 8.927 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.140 8.760 0.771 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.250 7.504 0.213 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.213 4.561 -2.100 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.733 3.434 -2.849 1.00 0.00 C ATOM 1649 C VAL A 113 -12.212 3.242 -2.530 1.00 0.00 C ATOM 1650 O VAL A 113 -12.567 2.867 -1.416 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.956 2.152 -2.500 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.640 0.916 -3.070 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.521 2.248 -2.996 1.00 0.00 C ATOM 0 H VAL A 113 -10.241 4.438 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.614 3.637 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.944 2.053 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.066 0.028 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.646 0.834 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.699 1.000 -4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.986 1.333 -2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.518 2.380 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.029 3.099 -2.525 1.00 0.00 H new ATOM 1663 N THR A 114 -13.069 3.518 -3.504 1.00 0.00 N ATOM 1664 CA THR A 114 -14.506 3.388 -3.308 1.00 0.00 C ATOM 1665 C THR A 114 -15.021 2.054 -3.840 1.00 0.00 C ATOM 1666 O THR A 114 -14.703 1.656 -4.960 1.00 0.00 O ATOM 1667 CB THR A 114 -15.237 4.543 -3.995 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.790 5.788 -3.487 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.740 4.490 -3.824 1.00 0.00 C ATOM 0 H THR A 114 -12.795 3.832 -4.435 1.00 0.00 H new ATOM 0 HA THR A 114 -14.703 3.423 -2.237 1.00 0.00 H new ATOM 0 HB THR A 114 -15.007 4.441 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.267 6.516 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.195 5.338 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.122 3.562 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.987 4.532 -2.763 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.829 1.373 -3.031 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.399 0.098 -3.417 1.00 0.00 C ATOM 1679 C VAL A 115 -17.903 0.238 -3.592 1.00 0.00 C ATOM 1680 O VAL A 115 -18.492 1.256 -3.227 1.00 0.00 O ATOM 1681 CB VAL A 115 -16.112 -1.005 -2.372 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -16.255 -2.384 -2.997 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.726 -0.841 -1.762 1.00 0.00 C ATOM 0 H VAL A 115 -16.101 1.690 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.933 -0.196 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.846 -0.905 -1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -16.049 -3.147 -2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -17.270 -2.510 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.548 -2.485 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.554 -1.631 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.973 -0.903 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.658 0.129 -1.270 1.00 0.00 H new ATOM 1693 N SER A 116 -18.514 -0.785 -4.154 1.00 0.00 N ATOM 1694 CA SER A 116 -19.952 -0.787 -4.388 1.00 0.00 C ATOM 1695 C SER A 116 -20.532 -2.186 -4.205 1.00 0.00 C ATOM 1696 O SER A 116 -19.881 -3.070 -3.649 1.00 0.00 O ATOM 1697 CB SER A 116 -20.259 -0.272 -5.796 1.00 0.00 C ATOM 1698 OG SER A 116 -21.503 0.406 -5.831 1.00 0.00 O ATOM 0 H SER A 116 -18.037 -1.633 -4.461 1.00 0.00 H new ATOM 0 HA SER A 116 -20.416 -0.125 -3.657 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.465 0.401 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.277 -1.107 -6.496 1.00 0.00 H new ATOM 0 HG SER A 116 -21.675 0.727 -6.741 1.00 0.00 H new ATOM 1704 N SER A 117 -21.760 -2.380 -4.676 1.00 0.00 N ATOM 1705 CA SER A 117 -22.427 -3.671 -4.565 1.00 0.00 C ATOM 1706 C SER A 117 -22.824 -4.197 -5.941 1.00 0.00 C ATOM 1707 O SER A 117 -22.163 -3.820 -6.931 1.00 0.00 O ATOM 1708 CB SER A 117 -23.665 -3.552 -3.675 1.00 0.00 C ATOM 1709 OG SER A 117 -23.843 -4.718 -2.890 1.00 0.00 O ATOM 1710 OXT SER A 117 -23.793 -4.982 -6.016 1.00 0.00 O ATOM 0 H SER A 117 -22.313 -1.658 -5.138 1.00 0.00 H new ATOM 0 HA SER A 117 -21.729 -4.376 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 117 -23.567 -2.683 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 117 -24.547 -3.388 -4.294 1.00 0.00 H new ATOM 0 HG SER A 117 -24.640 -4.616 -2.329 1.00 0.00 H new TER 1716 SER A 117