USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 890 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 70 THR OG1 : rot -114:sc= 0.532 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.726 K(o=4.6,f=1.1) USER MOD Set 1.3: A 73 TYR OH : rot -35:sc= 2.2 USER MOD Set 1.4: A 113 LYS NZ :NH3+ 172:sc= 1.1 (180deg=-0.126) USER MOD Set 2.1: A 22 SER OG : rot 22:sc= 1.01 USER MOD Set 2.2: A 101 GLN : amide:sc= 1 X(o=2,f=1.9) USER MOD Set 3.1: A 87 THR OG1 : rot 106:sc= 1.01 USER MOD Set 3.2: A 89 SER OG : rot 180:sc= 0.963 USER MOD Set 4.1: A 35 MET CE :methyl -168:sc= -0.365 (180deg=-0.112) USER MOD Set 4.2: A 44 ASN : amide:sc= -0.126 K(o=-0.49,f=0.015) USER MOD Set 5.1: A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: A 30 MET CE :methyl -159:sc= 0 (180deg=-0.102) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc=-0.00146 (180deg=-0.0964) USER MOD Single : A 11 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.16) USER MOD Single : A 12 HIS : no HE2:sc= 0.279 K(o=0.28,f=-3.8!) USER MOD Single : A 13 MET CE :methyl -173:sc= -0.132 (180deg=-0.216) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.205 K(o=0.21,f=-2.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.408 K(o=0.41,f=-2.2!) USER MOD Single : A 25 TYR OH : rot 28:sc= 1.21 USER MOD Single : A 29 MET CE :methyl 178:sc= 0 (180deg=-0.0115) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 160:sc= 0.0563 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0119) USER MOD Single : A 45 THR OG1 : rot -68:sc= 1.08 USER MOD Single : A 48 HIS : no HD1:sc= 0.315 K(o=0.97,f=-6.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.23) USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= 0.352 (180deg=-0.103) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= -0.022 (180deg=-0.12) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.12) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 75 SER OG : rot 94:sc= 1.83 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 111:sc= 0.568 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.052 USER MOD Single : A 79 MET CE :methyl -179:sc= 0 (180deg=-0.000113) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 138:sc= 1.76 USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.105) USER MOD Single : A 92 TYR OH : rot 12:sc= 1.25 USER MOD Single : A 94 ASN : amide:sc= -0.0325 X(o=-0.033,f=-0.014) USER MOD Single : A 97 TYR OH : rot -157:sc= 1.22 USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0154 (180deg=-0.174) USER MOD Single : A 99 THR OG1 : rot -71:sc= 1.85 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-1.3) USER MOD Single : A 115 SER OG : rot 140:sc= 0.534 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 123 SER OG : rot 69:sc= 0.433 USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 3 -10.991 -9.941 8.166 1.00 0.00 N ATOM 41 CA SER A 3 -10.028 -11.009 8.391 1.00 0.00 C ATOM 42 C SER A 3 -8.645 -10.429 8.133 1.00 0.00 C ATOM 43 O SER A 3 -7.853 -10.986 7.378 1.00 0.00 O ATOM 44 CB SER A 3 -10.376 -12.214 7.507 1.00 0.00 C ATOM 45 OG SER A 3 -9.691 -13.367 7.956 1.00 0.00 O ATOM 0 HA SER A 3 -10.051 -11.384 9.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.451 -12.390 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.108 -12.004 6.472 1.00 0.00 H new ATOM 0 HG SER A 3 -9.923 -14.129 7.385 1.00 0.00 H new ATOM 51 N ALA A 4 -8.409 -9.251 8.725 1.00 0.00 N ATOM 52 CA ALA A 4 -7.192 -8.453 8.657 1.00 0.00 C ATOM 53 C ALA A 4 -6.960 -7.853 7.273 1.00 0.00 C ATOM 54 O ALA A 4 -6.843 -6.638 7.131 1.00 0.00 O ATOM 55 CB ALA A 4 -5.998 -9.280 9.118 1.00 0.00 C ATOM 0 H ALA A 4 -9.119 -8.804 9.305 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.314 -7.607 9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.093 -8.675 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.156 -9.605 10.146 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.890 -10.153 8.474 1.00 0.00 H new ATOM 61 N ALA A 5 -6.917 -8.707 6.251 1.00 0.00 N ATOM 62 CA ALA A 5 -6.670 -8.363 4.864 1.00 0.00 C ATOM 63 C ALA A 5 -7.510 -7.177 4.399 1.00 0.00 C ATOM 64 O ALA A 5 -7.018 -6.342 3.656 1.00 0.00 O ATOM 65 CB ALA A 5 -6.930 -9.581 3.983 1.00 0.00 C ATOM 0 H ALA A 5 -7.062 -9.708 6.382 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.626 -8.060 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.744 -9.322 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.266 -10.393 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.966 -9.899 4.099 1.00 0.00 H new ATOM 71 N ALA A 6 -8.769 -7.081 4.834 1.00 0.00 N ATOM 72 CA ALA A 6 -9.625 -5.952 4.487 1.00 0.00 C ATOM 73 C ALA A 6 -9.069 -4.628 5.036 1.00 0.00 C ATOM 74 O ALA A 6 -9.109 -3.601 4.364 1.00 0.00 O ATOM 75 CB ALA A 6 -11.045 -6.218 4.988 1.00 0.00 C ATOM 0 H ALA A 6 -9.217 -7.777 5.430 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.648 -5.850 3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.686 -5.375 4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.432 -7.124 4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.031 -6.345 6.071 1.00 0.00 H new ATOM 81 N LYS A 7 -8.527 -4.647 6.255 1.00 0.00 N ATOM 82 CA LYS A 7 -7.949 -3.477 6.891 1.00 0.00 C ATOM 83 C LYS A 7 -6.595 -3.175 6.254 1.00 0.00 C ATOM 84 O LYS A 7 -6.315 -2.037 5.884 1.00 0.00 O ATOM 85 CB LYS A 7 -7.832 -3.715 8.406 1.00 0.00 C ATOM 86 CG LYS A 7 -8.546 -2.612 9.191 1.00 0.00 C ATOM 87 CD LYS A 7 -7.826 -1.261 9.055 1.00 0.00 C ATOM 88 CE LYS A 7 -8.538 -0.152 9.841 1.00 0.00 C ATOM 89 NZ LYS A 7 -9.882 0.127 9.305 1.00 0.00 N ATOM 0 H LYS A 7 -8.480 -5.489 6.829 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.592 -2.609 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.262 -4.684 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.781 -3.748 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.571 -2.516 8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.601 -2.891 10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.801 -1.358 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.772 -0.983 8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.618 -0.444 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.938 0.758 9.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.261 0.988 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.824 0.265 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.512 -0.675 9.512 1.00 0.00 H new ATOM 103 N PHE A 8 -5.764 -4.210 6.095 1.00 0.00 N ATOM 104 CA PHE A 8 -4.520 -4.122 5.343 1.00 0.00 C ATOM 105 C PHE A 8 -4.782 -3.445 3.996 1.00 0.00 C ATOM 106 O PHE A 8 -4.100 -2.494 3.628 1.00 0.00 O ATOM 107 CB PHE A 8 -3.939 -5.525 5.137 1.00 0.00 C ATOM 108 CG PHE A 8 -2.681 -5.550 4.293 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.476 -5.049 4.817 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.727 -6.027 2.970 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.313 -5.051 4.029 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.563 -6.026 2.185 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.353 -5.559 2.720 1.00 0.00 C ATOM 0 H PHE A 8 -5.941 -5.134 6.488 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.797 -3.526 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.720 -5.964 6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.694 -6.155 4.666 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.445 -4.663 5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.656 -6.393 2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.612 -4.662 4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.599 -6.385 1.167 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.548 -5.590 2.125 1.00 0.00 H new ATOM 123 N GLU A 9 -5.807 -3.924 3.291 1.00 0.00 N ATOM 124 CA GLU A 9 -6.276 -3.385 2.032 1.00 0.00 C ATOM 125 C GLU A 9 -6.638 -1.913 2.207 1.00 0.00 C ATOM 126 O GLU A 9 -6.082 -1.082 1.509 1.00 0.00 O ATOM 127 CB GLU A 9 -7.417 -4.262 1.497 1.00 0.00 C ATOM 128 CG GLU A 9 -7.989 -3.843 0.137 1.00 0.00 C ATOM 129 CD GLU A 9 -8.943 -2.649 0.193 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.724 -2.579 1.166 1.00 0.00 O ATOM 131 OE2 GLU A 9 -8.897 -1.845 -0.762 1.00 0.00 O ATOM 0 H GLU A 9 -6.349 -4.730 3.601 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.493 -3.410 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.058 -5.288 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.226 -4.261 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.163 -3.601 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.515 -4.692 -0.300 1.00 0.00 H new ATOM 138 N ARG A 10 -7.522 -1.556 3.141 1.00 0.00 N ATOM 139 CA ARG A 10 -7.845 -0.155 3.384 1.00 0.00 C ATOM 140 C ARG A 10 -6.597 0.718 3.554 1.00 0.00 C ATOM 141 O ARG A 10 -6.549 1.837 3.052 1.00 0.00 O ATOM 142 CB ARG A 10 -8.742 -0.046 4.620 1.00 0.00 C ATOM 143 CG ARG A 10 -10.204 -0.296 4.235 1.00 0.00 C ATOM 144 CD ARG A 10 -11.135 -0.229 5.454 1.00 0.00 C ATOM 145 NE ARG A 10 -11.197 -1.504 6.184 1.00 0.00 N ATOM 146 CZ ARG A 10 -11.958 -2.546 5.813 1.00 0.00 C ATOM 147 NH1 ARG A 10 -12.583 -2.537 4.631 1.00 0.00 N ATOM 148 NH2 ARG A 10 -12.102 -3.597 6.627 1.00 0.00 N ATOM 0 H ARG A 10 -8.023 -2.216 3.737 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.371 0.219 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.427 -0.770 5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.640 0.943 5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.517 0.443 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.293 -1.274 3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.791 0.556 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.137 0.048 5.127 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.627 -1.603 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.483 -1.736 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.160 -3.331 4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.633 -3.609 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.681 -4.387 6.342 1.00 0.00 H new ATOM 162 N GLN A 11 -5.603 0.241 4.302 1.00 0.00 N ATOM 163 CA GLN A 11 -4.426 1.036 4.614 1.00 0.00 C ATOM 164 C GLN A 11 -3.442 1.122 3.434 1.00 0.00 C ATOM 165 O GLN A 11 -3.010 2.213 3.070 1.00 0.00 O ATOM 166 CB GLN A 11 -3.764 0.465 5.874 1.00 0.00 C ATOM 167 CG GLN A 11 -4.641 0.596 7.131 1.00 0.00 C ATOM 168 CD GLN A 11 -5.072 2.029 7.428 1.00 0.00 C ATOM 169 OE1 GLN A 11 -6.248 2.295 7.652 1.00 0.00 O ATOM 170 NE2 GLN A 11 -4.130 2.967 7.433 1.00 0.00 N ATOM 0 H GLN A 11 -5.594 -0.697 4.703 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.737 2.063 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.531 -0.587 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.818 0.978 6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.529 -0.024 7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.093 0.205 7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.160 2.716 7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.378 3.937 7.627 1.00 0.00 H new ATOM 179 N HIS A 12 -3.043 -0.024 2.879 1.00 0.00 N ATOM 180 CA HIS A 12 -2.001 -0.144 1.857 1.00 0.00 C ATOM 181 C HIS A 12 -2.565 0.010 0.440 1.00 0.00 C ATOM 182 O HIS A 12 -1.836 0.325 -0.498 1.00 0.00 O ATOM 183 CB HIS A 12 -1.312 -1.508 2.026 1.00 0.00 C ATOM 184 CG HIS A 12 -0.255 -1.826 0.997 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.664 -0.936 0.474 1.00 0.00 N ATOM 186 CD2 HIS A 12 -0.082 -3.028 0.369 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.395 -1.596 -0.440 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.961 -2.868 -0.521 1.00 0.00 N ATOM 0 H HIS A 12 -3.449 -0.923 3.137 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.279 0.662 1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.856 -1.547 3.015 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.073 -2.288 1.995 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.768 0.045 0.735 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.652 -3.930 0.537 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.203 -1.173 -1.018 1.00 0.00 H new ATOM 197 N MET A 13 -3.854 -0.248 0.260 1.00 0.00 N ATOM 198 CA MET A 13 -4.537 -0.238 -1.020 1.00 0.00 C ATOM 199 C MET A 13 -5.520 0.925 -1.032 1.00 0.00 C ATOM 200 O MET A 13 -6.005 1.374 0.005 1.00 0.00 O ATOM 201 CB MET A 13 -5.221 -1.601 -1.217 1.00 0.00 C ATOM 202 CG MET A 13 -4.989 -2.240 -2.585 1.00 0.00 C ATOM 203 SD MET A 13 -5.607 -1.359 -4.036 1.00 0.00 S ATOM 204 CE MET A 13 -7.375 -1.316 -3.662 1.00 0.00 C ATOM 0 H MET A 13 -4.474 -0.479 1.036 1.00 0.00 H new ATOM 0 HA MET A 13 -3.847 -0.094 -1.851 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.866 -2.285 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.293 -1.479 -1.065 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.916 -2.383 -2.711 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.444 -3.230 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.918 -0.915 -4.518 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.727 -2.326 -3.449 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.548 -0.681 -2.793 1.00 0.00 H new ATOM 214 N ASP A 14 -5.784 1.452 -2.221 1.00 0.00 N ATOM 215 CA ASP A 14 -6.714 2.529 -2.441 1.00 0.00 C ATOM 216 C ASP A 14 -7.173 2.428 -3.896 1.00 0.00 C ATOM 217 O ASP A 14 -6.703 1.577 -4.647 1.00 0.00 O ATOM 218 CB ASP A 14 -6.011 3.861 -2.124 1.00 0.00 C ATOM 219 CG ASP A 14 -6.982 5.030 -2.043 1.00 0.00 C ATOM 220 OD1 ASP A 14 -7.631 5.161 -0.982 1.00 0.00 O ATOM 221 OD2 ASP A 14 -7.066 5.767 -3.047 1.00 0.00 O ATOM 0 H ASP A 14 -5.338 1.125 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.590 2.473 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.478 3.770 -1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.265 4.066 -2.892 1.00 0.00 H new ATOM 226 N SER A 15 -8.097 3.282 -4.316 1.00 0.00 N ATOM 227 CA SER A 15 -8.434 3.445 -5.713 1.00 0.00 C ATOM 228 C SER A 15 -9.006 4.849 -5.821 1.00 0.00 C ATOM 229 O SER A 15 -9.608 5.338 -4.865 1.00 0.00 O ATOM 230 CB SER A 15 -9.422 2.370 -6.175 1.00 0.00 C ATOM 231 OG SER A 15 -9.655 2.508 -7.564 1.00 0.00 O ATOM 0 H SER A 15 -8.633 3.882 -3.689 1.00 0.00 H new ATOM 0 HA SER A 15 -7.568 3.325 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.024 1.378 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.360 2.463 -5.627 1.00 0.00 H new ATOM 0 HG SER A 15 -10.286 1.819 -7.860 1.00 0.00 H new ATOM 237 N GLY A 16 -8.763 5.508 -6.949 1.00 0.00 N ATOM 238 CA GLY A 16 -9.072 6.911 -7.121 1.00 0.00 C ATOM 239 C GLY A 16 -9.436 7.171 -8.568 1.00 0.00 C ATOM 240 O GLY A 16 -8.568 7.427 -9.399 1.00 0.00 O ATOM 0 H GLY A 16 -8.343 5.075 -7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.898 7.195 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.216 7.521 -6.834 1.00 0.00 H new ATOM 244 N ASN A 17 -10.735 7.121 -8.848 1.00 0.00 N ATOM 245 CA ASN A 17 -11.301 7.553 -10.121 1.00 0.00 C ATOM 246 C ASN A 17 -11.278 9.076 -10.256 1.00 0.00 C ATOM 247 O ASN A 17 -11.463 9.603 -11.348 1.00 0.00 O ATOM 248 CB ASN A 17 -12.745 7.062 -10.225 1.00 0.00 C ATOM 249 CG ASN A 17 -13.617 7.739 -9.170 1.00 0.00 C ATOM 250 OD1 ASN A 17 -13.410 7.522 -7.980 1.00 0.00 O ATOM 251 ND2 ASN A 17 -14.555 8.584 -9.583 1.00 0.00 N ATOM 0 H ASN A 17 -11.432 6.775 -8.189 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.695 7.130 -10.922 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.137 7.274 -11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -12.778 5.980 -10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.132 9.078 -8.902 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -14.698 8.739 -10.581 1.00 0.00 H new ATOM 258 N SER A 18 -11.024 9.759 -9.143 1.00 0.00 N ATOM 259 CA SER A 18 -10.858 11.202 -9.061 1.00 0.00 C ATOM 260 C SER A 18 -9.362 11.512 -8.928 1.00 0.00 C ATOM 261 O SER A 18 -8.825 11.366 -7.830 1.00 0.00 O ATOM 262 CB SER A 18 -11.642 11.721 -7.849 1.00 0.00 C ATOM 263 OG SER A 18 -12.991 11.300 -7.944 1.00 0.00 O ATOM 0 H SER A 18 -10.925 9.300 -8.237 1.00 0.00 H new ATOM 0 HA SER A 18 -11.240 11.694 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.197 11.347 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.591 12.809 -7.808 1.00 0.00 H new ATOM 0 HG SER A 18 -13.492 11.630 -7.169 1.00 0.00 H new ATOM 305 N SER A 22 -1.305 15.090 -6.065 1.00 0.00 N ATOM 306 CA SER A 22 -0.279 14.213 -5.528 1.00 0.00 C ATOM 307 C SER A 22 -0.186 14.444 -4.012 1.00 0.00 C ATOM 308 O SER A 22 -0.651 13.620 -3.224 1.00 0.00 O ATOM 309 CB SER A 22 1.046 14.452 -6.277 1.00 0.00 C ATOM 310 OG SER A 22 0.861 14.350 -7.675 1.00 0.00 O ATOM 0 HA SER A 22 -0.527 13.162 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.436 15.439 -6.029 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.789 13.725 -5.950 1.00 0.00 H new ATOM 0 HG SER A 22 -0.082 14.505 -7.892 1.00 0.00 H new ATOM 316 N SER A 23 0.389 15.571 -3.580 1.00 0.00 N ATOM 317 CA SER A 23 0.520 15.884 -2.157 1.00 0.00 C ATOM 318 C SER A 23 -0.867 15.907 -1.508 1.00 0.00 C ATOM 319 O SER A 23 -1.163 15.149 -0.580 1.00 0.00 O ATOM 320 CB SER A 23 1.262 17.218 -1.984 1.00 0.00 C ATOM 321 OG SER A 23 1.389 17.538 -0.614 1.00 0.00 O ATOM 0 H SER A 23 0.772 16.284 -4.201 1.00 0.00 H new ATOM 0 HA SER A 23 1.108 15.115 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.249 17.154 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.722 18.011 -2.501 1.00 0.00 H new ATOM 0 HG SER A 23 1.865 18.389 -0.520 1.00 0.00 H new ATOM 327 N ASN A 24 -1.744 16.762 -2.040 1.00 0.00 N ATOM 328 CA ASN A 24 -3.074 16.958 -1.479 1.00 0.00 C ATOM 329 C ASN A 24 -3.879 15.673 -1.568 1.00 0.00 C ATOM 330 O ASN A 24 -4.676 15.386 -0.682 1.00 0.00 O ATOM 331 CB ASN A 24 -3.835 18.110 -2.160 1.00 0.00 C ATOM 332 CG ASN A 24 -2.931 19.267 -2.567 1.00 0.00 C ATOM 333 OD1 ASN A 24 -2.167 19.128 -3.520 1.00 0.00 O ATOM 334 ND2 ASN A 24 -2.992 20.394 -1.864 1.00 0.00 N ATOM 0 H ASN A 24 -1.551 17.331 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.943 17.232 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.345 17.728 -3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.605 18.479 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.392 21.181 -2.109 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.639 20.471 -1.079 1.00 0.00 H new ATOM 341 N TYR A 25 -3.665 14.896 -2.629 1.00 0.00 N ATOM 342 CA TYR A 25 -4.293 13.596 -2.785 1.00 0.00 C ATOM 343 C TYR A 25 -3.972 12.707 -1.584 1.00 0.00 C ATOM 344 O TYR A 25 -4.869 12.109 -0.997 1.00 0.00 O ATOM 345 CB TYR A 25 -3.807 12.970 -4.096 1.00 0.00 C ATOM 346 CG TYR A 25 -4.606 11.831 -4.705 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.012 11.786 -4.599 1.00 0.00 C ATOM 348 CD2 TYR A 25 -3.958 10.985 -5.626 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.759 10.991 -5.480 1.00 0.00 C ATOM 350 CE2 TYR A 25 -4.707 10.143 -6.466 1.00 0.00 C ATOM 351 CZ TYR A 25 -6.108 10.195 -6.435 1.00 0.00 C ATOM 352 OH TYR A 25 -6.832 9.562 -7.397 1.00 0.00 O ATOM 0 H TYR A 25 -3.051 15.155 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.377 13.703 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.748 13.765 -4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.791 12.610 -3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.514 12.365 -3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.880 10.983 -5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.838 10.991 -5.423 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.205 9.458 -7.133 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.649 10.071 -7.580 1.00 0.00 H new ATOM 362 N CYS A 26 -2.696 12.649 -1.191 1.00 0.00 N ATOM 363 CA CYS A 26 -2.311 11.828 -0.044 1.00 0.00 C ATOM 364 C CYS A 26 -2.899 12.414 1.226 1.00 0.00 C ATOM 365 O CYS A 26 -3.476 11.688 2.030 1.00 0.00 O ATOM 366 CB CYS A 26 -0.799 11.685 0.107 1.00 0.00 C ATOM 367 SG CYS A 26 -0.105 10.378 -0.913 1.00 0.00 S ATOM 0 H CYS A 26 -1.929 13.149 -1.640 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.709 10.829 -0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.324 12.631 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.562 11.486 1.152 1.00 0.00 H new ATOM 372 N ASN A 27 -2.745 13.727 1.402 1.00 0.00 N ATOM 373 CA ASN A 27 -3.288 14.435 2.553 1.00 0.00 C ATOM 374 C ASN A 27 -4.776 14.108 2.749 1.00 0.00 C ATOM 375 O ASN A 27 -5.213 13.749 3.843 1.00 0.00 O ATOM 376 CB ASN A 27 -3.056 15.939 2.387 1.00 0.00 C ATOM 377 CG ASN A 27 -3.194 16.657 3.723 1.00 0.00 C ATOM 378 OD1 ASN A 27 -4.286 17.056 4.113 1.00 0.00 O ATOM 379 ND2 ASN A 27 -2.083 16.826 4.436 1.00 0.00 N ATOM 0 H ASN A 27 -2.240 14.326 0.749 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.770 14.104 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.062 16.115 1.975 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.773 16.346 1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.123 17.301 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.191 16.481 4.080 1.00 0.00 H new ATOM 386 N LEU A 28 -5.544 14.180 1.660 1.00 0.00 N ATOM 387 CA LEU A 28 -6.942 13.794 1.613 1.00 0.00 C ATOM 388 C LEU A 28 -7.099 12.325 2.005 1.00 0.00 C ATOM 389 O LEU A 28 -7.822 12.024 2.949 1.00 0.00 O ATOM 390 CB LEU A 28 -7.503 14.076 0.211 1.00 0.00 C ATOM 391 CG LEU A 28 -8.936 13.559 0.005 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.929 14.259 0.939 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.347 13.794 -1.452 1.00 0.00 C ATOM 0 H LEU A 28 -5.193 14.519 0.764 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.513 14.383 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.484 15.151 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.850 13.617 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.954 12.494 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.931 13.867 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.644 14.077 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.919 15.331 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.363 13.430 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.306 14.860 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.665 13.259 -2.113 1.00 0.00 H new ATOM 405 N MET A 29 -6.447 11.410 1.277 1.00 0.00 N ATOM 406 CA MET A 29 -6.568 9.977 1.521 1.00 0.00 C ATOM 407 C MET A 29 -6.341 9.655 2.998 1.00 0.00 C ATOM 408 O MET A 29 -7.197 9.032 3.619 1.00 0.00 O ATOM 409 CB MET A 29 -5.616 9.180 0.612 1.00 0.00 C ATOM 410 CG MET A 29 -6.313 8.695 -0.667 1.00 0.00 C ATOM 411 SD MET A 29 -7.156 9.950 -1.669 1.00 0.00 S ATOM 412 CE MET A 29 -7.873 8.893 -2.946 1.00 0.00 C ATOM 0 H MET A 29 -5.823 11.647 0.505 1.00 0.00 H new ATOM 0 HA MET A 29 -7.585 9.673 1.272 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.763 9.804 0.346 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.225 8.322 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.568 8.205 -1.294 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.044 7.936 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.461 9.501 -3.634 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.075 8.393 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.516 8.146 -2.481 1.00 0.00 H new ATOM 422 N MET A 30 -5.218 10.089 3.575 1.00 0.00 N ATOM 423 CA MET A 30 -4.917 9.813 4.971 1.00 0.00 C ATOM 424 C MET A 30 -5.948 10.456 5.899 1.00 0.00 C ATOM 425 O MET A 30 -6.364 9.824 6.867 1.00 0.00 O ATOM 426 CB MET A 30 -3.479 10.205 5.331 1.00 0.00 C ATOM 427 CG MET A 30 -3.257 11.717 5.446 1.00 0.00 C ATOM 428 SD MET A 30 -1.572 12.223 5.842 1.00 0.00 S ATOM 429 CE MET A 30 -1.857 13.916 6.401 1.00 0.00 C ATOM 0 H MET A 30 -4.504 10.634 3.091 1.00 0.00 H new ATOM 0 HA MET A 30 -4.987 8.735 5.118 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.211 9.735 6.278 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.804 9.805 4.574 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.546 12.182 4.504 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.926 12.108 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.930 14.484 6.328 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.619 14.382 5.776 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.195 13.905 7.437 1.00 0.00 H new ATOM 439 N CYS A 31 -6.363 11.699 5.618 1.00 0.00 N ATOM 440 CA CYS A 31 -7.369 12.375 6.431 1.00 0.00 C ATOM 441 C CYS A 31 -8.666 11.565 6.455 1.00 0.00 C ATOM 442 O CYS A 31 -9.202 11.282 7.523 1.00 0.00 O ATOM 443 CB CYS A 31 -7.614 13.793 5.913 1.00 0.00 C ATOM 444 SG CYS A 31 -8.930 14.537 6.902 1.00 0.00 S ATOM 0 H CYS A 31 -6.015 12.251 4.834 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.998 12.451 7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.703 14.387 5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.897 13.770 4.861 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.157 15.746 6.483 1.00 0.00 H new ATOM 450 N CYS A 32 -9.139 11.144 5.279 1.00 0.00 N ATOM 451 CA CYS A 32 -10.310 10.292 5.133 1.00 0.00 C ATOM 452 C CYS A 32 -10.100 8.960 5.852 1.00 0.00 C ATOM 453 O CYS A 32 -10.999 8.483 6.542 1.00 0.00 O ATOM 454 CB CYS A 32 -10.610 10.059 3.649 1.00 0.00 C ATOM 455 SG CYS A 32 -11.400 11.521 2.934 1.00 0.00 S ATOM 0 H CYS A 32 -8.707 11.393 4.389 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.164 10.794 5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.686 9.838 3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.261 9.192 3.534 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.646 11.309 1.675 1.00 0.00 H new ATOM 461 N ARG A 33 -8.918 8.354 5.698 1.00 0.00 N ATOM 462 CA ARG A 33 -8.555 7.134 6.409 1.00 0.00 C ATOM 463 C ARG A 33 -8.617 7.359 7.925 1.00 0.00 C ATOM 464 O ARG A 33 -8.940 6.447 8.682 1.00 0.00 O ATOM 465 CB ARG A 33 -7.143 6.664 6.007 1.00 0.00 C ATOM 466 CG ARG A 33 -7.059 5.128 6.000 1.00 0.00 C ATOM 467 CD ARG A 33 -7.137 4.510 4.593 1.00 0.00 C ATOM 468 NE ARG A 33 -7.980 5.277 3.664 1.00 0.00 N ATOM 469 CZ ARG A 33 -7.926 5.155 2.329 1.00 0.00 C ATOM 470 NH1 ARG A 33 -7.302 4.121 1.752 1.00 0.00 N ATOM 471 NH2 ARG A 33 -8.492 6.082 1.552 1.00 0.00 N ATOM 0 H ARG A 33 -8.188 8.700 5.075 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.271 6.359 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.894 7.051 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.408 7.070 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.124 4.822 6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.869 4.726 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.131 4.435 4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.526 3.495 4.671 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.646 5.942 4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.856 3.408 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.272 4.046 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.965 6.882 1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.452 5.990 0.537 1.00 0.00 H new ATOM 485 N LYS A 34 -8.252 8.571 8.351 1.00 0.00 N ATOM 486 CA LYS A 34 -8.176 9.018 9.732 1.00 0.00 C ATOM 487 C LYS A 34 -7.037 8.317 10.478 1.00 0.00 C ATOM 488 O LYS A 34 -7.024 8.279 11.707 1.00 0.00 O ATOM 489 CB LYS A 34 -9.546 8.854 10.416 1.00 0.00 C ATOM 490 CG LYS A 34 -9.808 9.914 11.493 1.00 0.00 C ATOM 491 CD LYS A 34 -10.223 11.252 10.866 1.00 0.00 C ATOM 492 CE LYS A 34 -10.537 12.280 11.956 1.00 0.00 C ATOM 493 NZ LYS A 34 -11.000 13.551 11.372 1.00 0.00 N ATOM 0 H LYS A 34 -7.987 9.306 7.696 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.934 10.081 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.331 8.908 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.605 7.863 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.592 9.566 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.910 10.054 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.423 11.624 10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.097 11.107 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.302 11.884 12.624 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.647 12.457 12.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.205 14.229 12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.259 13.939 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.863 13.384 10.816 1.00 0.00 H new ATOM 507 N MET A 35 -6.051 7.787 9.747 1.00 0.00 N ATOM 508 CA MET A 35 -4.963 7.046 10.364 1.00 0.00 C ATOM 509 C MET A 35 -4.011 8.011 11.060 1.00 0.00 C ATOM 510 O MET A 35 -3.593 7.777 12.191 1.00 0.00 O ATOM 511 CB MET A 35 -4.249 6.183 9.315 1.00 0.00 C ATOM 512 CG MET A 35 -3.070 5.409 9.925 1.00 0.00 C ATOM 513 SD MET A 35 -1.477 6.276 9.951 1.00 0.00 S ATOM 514 CE MET A 35 -1.067 6.239 8.194 1.00 0.00 C ATOM 0 H MET A 35 -5.990 7.861 8.731 1.00 0.00 H new ATOM 0 HA MET A 35 -5.360 6.371 11.122 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.958 5.481 8.877 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.888 6.818 8.506 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.330 5.138 10.948 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.946 4.479 9.370 1.00 0.00 H new ATOM 0 HE1 MET A 35 -0.028 6.537 8.057 1.00 0.00 H new ATOM 0 HE2 MET A 35 -1.209 5.229 7.808 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.716 6.928 7.654 1.00 0.00 H new ATOM 524 N THR A 36 -3.680 9.118 10.397 1.00 0.00 N ATOM 525 CA THR A 36 -2.603 9.997 10.813 1.00 0.00 C ATOM 526 C THR A 36 -3.025 10.956 11.937 1.00 0.00 C ATOM 527 O THR A 36 -2.422 12.011 12.120 1.00 0.00 O ATOM 528 CB THR A 36 -2.101 10.734 9.565 1.00 0.00 C ATOM 529 OG1 THR A 36 -3.216 11.217 8.842 1.00 0.00 O ATOM 530 CG2 THR A 36 -1.345 9.767 8.650 1.00 0.00 C ATOM 0 H THR A 36 -4.159 9.427 9.551 1.00 0.00 H new ATOM 0 HA THR A 36 -1.793 9.411 11.246 1.00 0.00 H new ATOM 0 HB THR A 36 -1.445 11.547 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.930 11.939 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.993 10.301 7.767 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.492 9.351 9.186 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.011 8.960 8.344 1.00 0.00 H new ATOM 538 N GLN A 37 -4.081 10.612 12.684 1.00 0.00 N ATOM 539 CA GLN A 37 -4.711 11.526 13.622 1.00 0.00 C ATOM 540 C GLN A 37 -3.861 11.736 14.871 1.00 0.00 C ATOM 541 O GLN A 37 -3.684 12.866 15.316 1.00 0.00 O ATOM 542 CB GLN A 37 -6.128 11.038 13.954 1.00 0.00 C ATOM 543 CG GLN A 37 -6.902 12.085 14.771 1.00 0.00 C ATOM 544 CD GLN A 37 -8.338 11.662 15.070 1.00 0.00 C ATOM 545 OE1 GLN A 37 -8.784 10.588 14.684 1.00 0.00 O ATOM 546 NE2 GLN A 37 -9.087 12.515 15.763 1.00 0.00 N ATOM 0 H GLN A 37 -4.517 9.690 12.649 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.793 12.505 13.150 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.667 10.823 13.031 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.072 10.105 14.515 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.379 12.265 15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.913 13.029 14.226 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.694 13.403 16.074 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.055 12.281 15.984 1.00 0.00 H new ATOM 555 N GLY A 38 -3.377 10.643 15.460 1.00 0.00 N ATOM 556 CA GLY A 38 -2.624 10.674 16.709 1.00 0.00 C ATOM 557 C GLY A 38 -1.118 10.760 16.464 1.00 0.00 C ATOM 558 O GLY A 38 -0.399 11.435 17.196 1.00 0.00 O ATOM 0 H GLY A 38 -3.499 9.705 15.079 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.944 11.529 17.305 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.847 9.779 17.290 1.00 0.00 H new ATOM 562 N LYS A 39 -0.647 10.041 15.445 1.00 0.00 N ATOM 563 CA LYS A 39 0.749 9.921 15.045 1.00 0.00 C ATOM 564 C LYS A 39 0.739 9.751 13.531 1.00 0.00 C ATOM 565 O LYS A 39 -0.325 9.542 12.958 1.00 0.00 O ATOM 566 CB LYS A 39 1.402 8.700 15.710 1.00 0.00 C ATOM 567 CG LYS A 39 1.754 8.888 17.192 1.00 0.00 C ATOM 568 CD LYS A 39 2.951 9.833 17.370 1.00 0.00 C ATOM 569 CE LYS A 39 3.404 9.860 18.834 1.00 0.00 C ATOM 570 NZ LYS A 39 4.606 10.695 19.005 1.00 0.00 N ATOM 0 H LYS A 39 -1.267 9.497 14.845 1.00 0.00 H new ATOM 0 HA LYS A 39 1.322 10.797 15.349 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.728 7.848 15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.311 8.449 15.164 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.891 9.288 17.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.983 7.920 17.638 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.775 9.508 16.735 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.678 10.838 17.049 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.599 10.245 19.459 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.612 8.845 19.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.890 10.695 20.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.380 10.312 18.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.398 11.669 18.705 1.00 0.00 H new ATOM 584 N CYS A 40 1.906 9.836 12.893 1.00 0.00 N ATOM 585 CA CYS A 40 2.041 9.896 11.443 1.00 0.00 C ATOM 586 C CYS A 40 3.072 8.852 11.024 1.00 0.00 C ATOM 587 O CYS A 40 4.270 9.066 11.198 1.00 0.00 O ATOM 588 CB CYS A 40 2.450 11.325 11.050 1.00 0.00 C ATOM 589 SG CYS A 40 1.205 12.575 11.466 1.00 0.00 S ATOM 0 H CYS A 40 2.801 9.865 13.382 1.00 0.00 H new ATOM 0 HA CYS A 40 1.105 9.671 10.931 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.386 11.576 11.549 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.641 11.357 9.977 1.00 0.00 H new ATOM 594 N LYS A 41 2.620 7.692 10.533 1.00 0.00 N ATOM 595 CA LYS A 41 3.515 6.619 10.112 1.00 0.00 C ATOM 596 C LYS A 41 4.410 7.113 8.962 1.00 0.00 C ATOM 597 O LYS A 41 3.962 7.926 8.157 1.00 0.00 O ATOM 598 CB LYS A 41 2.708 5.372 9.703 1.00 0.00 C ATOM 599 CG LYS A 41 2.366 4.451 10.887 1.00 0.00 C ATOM 600 CD LYS A 41 1.289 5.001 11.839 1.00 0.00 C ATOM 601 CE LYS A 41 1.763 5.032 13.296 1.00 0.00 C ATOM 602 NZ LYS A 41 2.023 3.678 13.818 1.00 0.00 N ATOM 0 H LYS A 41 1.630 7.476 10.419 1.00 0.00 H new ATOM 0 HA LYS A 41 4.155 6.334 10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.784 5.689 9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.276 4.806 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.031 3.490 10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.275 4.263 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.012 6.008 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.392 4.386 11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.671 5.630 13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.009 5.520 13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.193 3.728 14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.200 3.070 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.860 3.279 13.347 1.00 0.00 H new ATOM 616 N PRO A 42 5.669 6.656 8.874 1.00 0.00 N ATOM 617 CA PRO A 42 6.650 7.232 7.968 1.00 0.00 C ATOM 618 C PRO A 42 6.298 7.026 6.494 1.00 0.00 C ATOM 619 O PRO A 42 6.288 7.986 5.724 1.00 0.00 O ATOM 620 CB PRO A 42 7.992 6.596 8.350 1.00 0.00 C ATOM 621 CG PRO A 42 7.604 5.294 9.052 1.00 0.00 C ATOM 622 CD PRO A 42 6.281 5.651 9.728 1.00 0.00 C ATOM 0 HA PRO A 42 6.684 8.316 8.073 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.607 6.406 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.568 7.247 9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.487 4.473 8.345 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.358 4.986 9.777 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.640 4.775 9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.446 6.038 10.734 1.00 0.00 H new ATOM 630 N VAL A 43 6.051 5.775 6.097 1.00 0.00 N ATOM 631 CA VAL A 43 5.764 5.384 4.727 1.00 0.00 C ATOM 632 C VAL A 43 4.310 4.929 4.617 1.00 0.00 C ATOM 633 O VAL A 43 3.798 4.247 5.504 1.00 0.00 O ATOM 634 CB VAL A 43 6.760 4.299 4.280 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.677 3.005 5.102 1.00 0.00 C ATOM 636 CG2 VAL A 43 6.585 3.961 2.793 1.00 0.00 C ATOM 0 H VAL A 43 6.047 4.987 6.745 1.00 0.00 H new ATOM 0 HA VAL A 43 5.888 6.233 4.055 1.00 0.00 H new ATOM 0 HB VAL A 43 7.745 4.732 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.409 2.289 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.887 3.225 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.677 2.581 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.303 3.192 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.573 3.595 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.755 4.856 2.194 1.00 0.00 H new ATOM 646 N ASN A 44 3.660 5.298 3.514 1.00 0.00 N ATOM 647 CA ASN A 44 2.331 4.857 3.135 1.00 0.00 C ATOM 648 C ASN A 44 2.319 4.684 1.620 1.00 0.00 C ATOM 649 O ASN A 44 2.019 5.618 0.878 1.00 0.00 O ATOM 650 CB ASN A 44 1.269 5.865 3.593 1.00 0.00 C ATOM 651 CG ASN A 44 1.056 5.811 5.100 1.00 0.00 C ATOM 652 OD1 ASN A 44 1.387 6.746 5.823 1.00 0.00 O ATOM 653 ND2 ASN A 44 0.501 4.708 5.594 1.00 0.00 N ATOM 0 H ASN A 44 4.069 5.940 2.835 1.00 0.00 H new ATOM 0 HA ASN A 44 2.090 3.911 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.573 6.871 3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.327 5.658 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.340 4.623 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.236 3.947 4.969 1.00 0.00 H new ATOM 660 N THR A 45 2.660 3.484 1.150 1.00 0.00 N ATOM 661 CA THR A 45 2.465 3.149 -0.246 1.00 0.00 C ATOM 662 C THR A 45 0.986 2.843 -0.440 1.00 0.00 C ATOM 663 O THR A 45 0.542 1.778 -0.021 1.00 0.00 O ATOM 664 CB THR A 45 3.356 1.968 -0.652 1.00 0.00 C ATOM 665 OG1 THR A 45 4.687 2.187 -0.219 1.00 0.00 O ATOM 666 CG2 THR A 45 3.325 1.762 -2.172 1.00 0.00 C ATOM 0 H THR A 45 3.068 2.739 1.715 1.00 0.00 H new ATOM 0 HA THR A 45 2.753 3.981 -0.889 1.00 0.00 H new ATOM 0 HB THR A 45 2.970 1.068 -0.173 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.076 2.934 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.964 0.920 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.303 1.557 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.687 2.662 -2.669 1.00 0.00 H new ATOM 674 N PHE A 46 0.235 3.762 -1.049 1.00 0.00 N ATOM 675 CA PHE A 46 -1.156 3.535 -1.404 1.00 0.00 C ATOM 676 C PHE A 46 -1.192 2.955 -2.819 1.00 0.00 C ATOM 677 O PHE A 46 -1.022 3.683 -3.797 1.00 0.00 O ATOM 678 CB PHE A 46 -1.957 4.838 -1.297 1.00 0.00 C ATOM 679 CG PHE A 46 -1.971 5.478 0.078 1.00 0.00 C ATOM 680 CD1 PHE A 46 -2.720 4.897 1.119 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.309 6.703 0.297 1.00 0.00 C ATOM 682 CE1 PHE A 46 -2.836 5.552 2.357 1.00 0.00 C ATOM 683 CE2 PHE A 46 -1.438 7.365 1.531 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.212 6.796 2.558 1.00 0.00 C ATOM 0 H PHE A 46 0.581 4.686 -1.308 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.619 2.828 -0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.550 5.555 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.986 4.639 -1.598 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.207 3.945 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.701 7.134 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.405 5.099 3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.942 8.311 1.690 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.327 7.313 3.499 1.00 0.00 H new ATOM 694 N VAL A 47 -1.375 1.643 -2.944 1.00 0.00 N ATOM 695 CA VAL A 47 -1.557 0.989 -4.234 1.00 0.00 C ATOM 696 C VAL A 47 -2.879 1.475 -4.841 1.00 0.00 C ATOM 697 O VAL A 47 -3.847 1.647 -4.108 1.00 0.00 O ATOM 698 CB VAL A 47 -1.522 -0.536 -4.037 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.740 -1.283 -5.355 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.186 -0.985 -3.430 1.00 0.00 C ATOM 0 H VAL A 47 -1.401 1.003 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.755 1.243 -4.927 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.335 -0.779 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.708 -2.357 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.711 -1.013 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.956 -1.011 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.190 -2.067 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.630 -0.701 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.047 -0.506 -2.461 1.00 0.00 H new ATOM 710 N HIS A 48 -2.926 1.713 -6.157 1.00 0.00 N ATOM 711 CA HIS A 48 -4.098 2.208 -6.874 1.00 0.00 C ATOM 712 C HIS A 48 -4.474 1.192 -7.958 1.00 0.00 C ATOM 713 O HIS A 48 -4.120 1.367 -9.125 1.00 0.00 O ATOM 714 CB HIS A 48 -3.778 3.603 -7.441 1.00 0.00 C ATOM 715 CG HIS A 48 -4.898 4.245 -8.226 1.00 0.00 C ATOM 716 ND1 HIS A 48 -5.437 3.748 -9.395 1.00 0.00 N ATOM 717 CD2 HIS A 48 -5.475 5.462 -7.980 1.00 0.00 C ATOM 718 CE1 HIS A 48 -6.345 4.633 -9.842 1.00 0.00 C ATOM 719 NE2 HIS A 48 -6.373 5.688 -9.008 1.00 0.00 N ATOM 0 H HIS A 48 -2.123 1.561 -6.767 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.960 2.316 -6.215 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.509 4.262 -6.615 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.902 3.525 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.269 6.117 -7.147 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.953 4.516 -10.727 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.958 6.516 -9.115 1.00 0.00 H new ATOM 728 N GLU A 49 -5.204 0.130 -7.602 1.00 0.00 N ATOM 729 CA GLU A 49 -5.673 -0.860 -8.568 1.00 0.00 C ATOM 730 C GLU A 49 -6.905 -1.580 -8.018 1.00 0.00 C ATOM 731 O GLU A 49 -7.268 -1.396 -6.859 1.00 0.00 O ATOM 732 CB GLU A 49 -4.542 -1.840 -8.926 1.00 0.00 C ATOM 733 CG GLU A 49 -4.267 -2.846 -7.802 1.00 0.00 C ATOM 734 CD GLU A 49 -2.974 -3.624 -8.022 1.00 0.00 C ATOM 735 OE1 GLU A 49 -1.904 -3.017 -7.805 1.00 0.00 O ATOM 736 OE2 GLU A 49 -3.074 -4.812 -8.395 1.00 0.00 O ATOM 0 H GLU A 49 -5.484 -0.064 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.966 -0.357 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.805 -2.379 -9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.632 -1.279 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.212 -2.317 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.101 -3.545 -7.731 1.00 0.00 H new ATOM 743 N SER A 50 -7.543 -2.412 -8.842 1.00 0.00 N ATOM 744 CA SER A 50 -8.699 -3.194 -8.443 1.00 0.00 C ATOM 745 C SER A 50 -8.324 -4.200 -7.347 1.00 0.00 C ATOM 746 O SER A 50 -7.377 -4.966 -7.505 1.00 0.00 O ATOM 747 CB SER A 50 -9.250 -3.903 -9.686 1.00 0.00 C ATOM 748 OG SER A 50 -9.181 -3.022 -10.793 1.00 0.00 O ATOM 0 H SER A 50 -7.264 -2.559 -9.812 1.00 0.00 H new ATOM 0 HA SER A 50 -9.466 -2.542 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.675 -4.807 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.281 -4.212 -9.516 1.00 0.00 H new ATOM 0 HG SER A 50 -9.531 -3.471 -11.591 1.00 0.00 H new ATOM 754 N LEU A 51 -9.098 -4.233 -6.259 1.00 0.00 N ATOM 755 CA LEU A 51 -8.891 -5.119 -5.113 1.00 0.00 C ATOM 756 C LEU A 51 -8.632 -6.565 -5.563 1.00 0.00 C ATOM 757 O LEU A 51 -7.655 -7.202 -5.165 1.00 0.00 O ATOM 758 CB LEU A 51 -10.130 -5.016 -4.202 1.00 0.00 C ATOM 759 CG LEU A 51 -9.824 -5.202 -2.710 1.00 0.00 C ATOM 760 CD1 LEU A 51 -11.120 -5.026 -1.909 1.00 0.00 C ATOM 761 CD2 LEU A 51 -9.210 -6.568 -2.395 1.00 0.00 C ATOM 0 H LEU A 51 -9.910 -3.625 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.004 -4.812 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.596 -4.041 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.858 -5.767 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.087 -4.450 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.912 -5.157 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.521 -4.027 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.850 -5.769 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.015 -6.641 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.902 -7.355 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.274 -6.681 -2.943 1.00 0.00 H new ATOM 773 N ALA A 52 -9.505 -7.073 -6.439 1.00 0.00 N ATOM 774 CA ALA A 52 -9.389 -8.404 -7.018 1.00 0.00 C ATOM 775 C ALA A 52 -8.013 -8.634 -7.650 1.00 0.00 C ATOM 776 O ALA A 52 -7.450 -9.718 -7.522 1.00 0.00 O ATOM 777 CB ALA A 52 -10.500 -8.613 -8.050 1.00 0.00 C ATOM 0 H ALA A 52 -10.322 -6.559 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.497 -9.134 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.412 -9.610 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.471 -8.512 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.409 -7.866 -8.839 1.00 0.00 H new ATOM 783 N ASP A 53 -7.462 -7.611 -8.312 1.00 0.00 N ATOM 784 CA ASP A 53 -6.120 -7.671 -8.868 1.00 0.00 C ATOM 785 C ASP A 53 -5.097 -7.926 -7.767 1.00 0.00 C ATOM 786 O ASP A 53 -4.299 -8.848 -7.881 1.00 0.00 O ATOM 787 CB ASP A 53 -5.797 -6.399 -9.667 1.00 0.00 C ATOM 788 CG ASP A 53 -4.839 -6.653 -10.826 1.00 0.00 C ATOM 789 OD1 ASP A 53 -3.887 -7.439 -10.628 1.00 0.00 O ATOM 790 OD2 ASP A 53 -5.067 -6.042 -11.893 1.00 0.00 O ATOM 0 H ASP A 53 -7.938 -6.723 -8.473 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.070 -8.508 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.723 -5.974 -10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.361 -5.657 -8.998 1.00 0.00 H new ATOM 795 N VAL A 54 -5.139 -7.149 -6.681 1.00 0.00 N ATOM 796 CA VAL A 54 -4.191 -7.321 -5.582 1.00 0.00 C ATOM 797 C VAL A 54 -4.294 -8.745 -5.026 1.00 0.00 C ATOM 798 O VAL A 54 -3.282 -9.395 -4.760 1.00 0.00 O ATOM 799 CB VAL A 54 -4.413 -6.262 -4.489 1.00 0.00 C ATOM 800 CG1 VAL A 54 -3.481 -6.478 -3.287 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.165 -4.868 -5.065 1.00 0.00 C ATOM 0 H VAL A 54 -5.816 -6.399 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.179 -7.176 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.443 -6.355 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.670 -5.709 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.668 -7.461 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.443 -6.418 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.323 -4.120 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.140 -4.802 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.855 -4.687 -5.889 1.00 0.00 H new ATOM 811 N LYS A 55 -5.516 -9.254 -4.848 1.00 0.00 N ATOM 812 CA LYS A 55 -5.677 -10.611 -4.377 1.00 0.00 C ATOM 813 C LYS A 55 -5.108 -11.627 -5.368 1.00 0.00 C ATOM 814 O LYS A 55 -4.361 -12.516 -4.964 1.00 0.00 O ATOM 815 CB LYS A 55 -7.149 -10.877 -4.063 1.00 0.00 C ATOM 816 CG LYS A 55 -7.597 -10.154 -2.788 1.00 0.00 C ATOM 817 CD LYS A 55 -8.963 -10.685 -2.334 1.00 0.00 C ATOM 818 CE LYS A 55 -9.330 -10.136 -0.951 1.00 0.00 C ATOM 819 NZ LYS A 55 -10.623 -10.671 -0.488 1.00 0.00 N ATOM 0 H LYS A 55 -6.386 -8.750 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.103 -10.731 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.764 -10.551 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.309 -11.949 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.860 -10.302 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.658 -9.081 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.727 -10.400 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.943 -11.774 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.550 -10.395 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.377 -9.048 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.844 -10.281 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.370 -10.402 -1.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.568 -11.708 -0.428 1.00 0.00 H new ATOM 833 N ALA A 56 -5.437 -11.497 -6.658 1.00 0.00 N ATOM 834 CA ALA A 56 -4.892 -12.365 -7.693 1.00 0.00 C ATOM 835 C ALA A 56 -3.364 -12.361 -7.624 1.00 0.00 C ATOM 836 O ALA A 56 -2.750 -13.415 -7.485 1.00 0.00 O ATOM 837 CB ALA A 56 -5.399 -11.932 -9.071 1.00 0.00 C ATOM 0 H ALA A 56 -6.085 -10.790 -7.006 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.232 -13.387 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.984 -12.590 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.487 -11.992 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.088 -10.906 -9.267 1.00 0.00 H new ATOM 843 N VAL A 57 -2.763 -11.169 -7.669 1.00 0.00 N ATOM 844 CA VAL A 57 -1.337 -10.913 -7.490 1.00 0.00 C ATOM 845 C VAL A 57 -0.785 -11.692 -6.295 1.00 0.00 C ATOM 846 O VAL A 57 0.253 -12.339 -6.412 1.00 0.00 O ATOM 847 CB VAL A 57 -1.117 -9.399 -7.333 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.266 -9.056 -6.765 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.267 -8.698 -8.691 1.00 0.00 C ATOM 0 H VAL A 57 -3.289 -10.312 -7.841 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.791 -11.259 -8.368 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.873 -9.051 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.365 -7.974 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.379 -9.513 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.038 -9.437 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.109 -7.627 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.530 -9.095 -9.389 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.269 -8.874 -9.083 1.00 0.00 H new ATOM 859 N CYS A 58 -1.483 -11.659 -5.157 1.00 0.00 N ATOM 860 CA CYS A 58 -1.048 -12.355 -3.946 1.00 0.00 C ATOM 861 C CYS A 58 -0.999 -13.880 -4.107 1.00 0.00 C ATOM 862 O CYS A 58 -0.536 -14.578 -3.211 1.00 0.00 O ATOM 863 CB CYS A 58 -1.897 -11.922 -2.751 1.00 0.00 C ATOM 864 SG CYS A 58 -1.095 -12.150 -1.146 1.00 0.00 S ATOM 0 H CYS A 58 -2.361 -11.151 -5.050 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.016 -12.060 -3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.158 -10.870 -2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.831 -12.485 -2.761 1.00 0.00 H new ATOM 869 N SER A 59 -1.451 -14.402 -5.251 1.00 0.00 N ATOM 870 CA SER A 59 -1.276 -15.788 -5.662 1.00 0.00 C ATOM 871 C SER A 59 -0.784 -15.868 -7.120 1.00 0.00 C ATOM 872 O SER A 59 -1.125 -16.810 -7.830 1.00 0.00 O ATOM 873 CB SER A 59 -2.599 -16.537 -5.438 1.00 0.00 C ATOM 874 OG SER A 59 -2.373 -17.923 -5.254 1.00 0.00 O ATOM 0 H SER A 59 -1.965 -13.848 -5.936 1.00 0.00 H new ATOM 0 HA SER A 59 -0.506 -16.268 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.109 -16.129 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.258 -16.383 -6.293 1.00 0.00 H new ATOM 0 HG SER A 59 -3.229 -18.378 -5.112 1.00 0.00 H new ATOM 880 N GLN A 60 0.023 -14.896 -7.576 1.00 0.00 N ATOM 881 CA GLN A 60 0.723 -14.973 -8.859 1.00 0.00 C ATOM 882 C GLN A 60 2.155 -15.468 -8.625 1.00 0.00 C ATOM 883 O GLN A 60 2.354 -16.601 -8.190 1.00 0.00 O ATOM 884 CB GLN A 60 0.671 -13.634 -9.625 1.00 0.00 C ATOM 885 CG GLN A 60 -0.696 -13.329 -10.257 1.00 0.00 C ATOM 886 CD GLN A 60 -1.154 -14.326 -11.321 1.00 0.00 C ATOM 887 OE1 GLN A 60 -2.344 -14.592 -11.451 1.00 0.00 O ATOM 888 NE2 GLN A 60 -0.241 -14.877 -12.117 1.00 0.00 N ATOM 0 H GLN A 60 0.206 -14.035 -7.061 1.00 0.00 H new ATOM 0 HA GLN A 60 0.215 -15.692 -9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.933 -12.826 -8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.428 -13.646 -10.409 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.445 -13.295 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.659 -12.335 -10.704 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.745 -14.647 -11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.528 -15.530 -12.847 1.00 0.00 H new ATOM 897 N LYS A 61 3.170 -14.654 -8.937 1.00 0.00 N ATOM 898 CA LYS A 61 4.535 -15.148 -8.976 1.00 0.00 C ATOM 899 C LYS A 61 5.112 -15.142 -7.571 1.00 0.00 C ATOM 900 O LYS A 61 5.721 -14.166 -7.135 1.00 0.00 O ATOM 901 CB LYS A 61 5.357 -14.302 -9.946 1.00 0.00 C ATOM 902 CG LYS A 61 6.839 -14.698 -10.045 1.00 0.00 C ATOM 903 CD LYS A 61 7.032 -16.147 -10.518 1.00 0.00 C ATOM 904 CE LYS A 61 8.515 -16.521 -10.599 1.00 0.00 C ATOM 905 NZ LYS A 61 9.146 -16.526 -9.266 1.00 0.00 N ATOM 0 H LYS A 61 3.066 -13.665 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 61 4.560 -16.176 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.909 -14.372 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.293 -13.258 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.346 -14.024 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.311 -14.572 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.522 -16.825 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.570 -16.275 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.618 -17.506 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.035 -15.814 -11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.861 -17.280 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.601 -15.607 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.421 -16.695 -8.539 1.00 0.00 H new ATOM 919 N LYS A 62 4.938 -16.278 -6.903 1.00 0.00 N ATOM 920 CA LYS A 62 5.524 -16.556 -5.606 1.00 0.00 C ATOM 921 C LYS A 62 7.047 -16.438 -5.687 1.00 0.00 C ATOM 922 O LYS A 62 7.666 -16.942 -6.627 1.00 0.00 O ATOM 923 CB LYS A 62 5.114 -17.958 -5.133 1.00 0.00 C ATOM 924 CG LYS A 62 5.423 -18.142 -3.638 1.00 0.00 C ATOM 925 CD LYS A 62 4.914 -19.486 -3.097 1.00 0.00 C ATOM 926 CE LYS A 62 5.571 -20.708 -3.756 1.00 0.00 C ATOM 927 NZ LYS A 62 7.040 -20.675 -3.648 1.00 0.00 N ATOM 0 H LYS A 62 4.371 -17.046 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 62 5.157 -15.827 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.049 -18.110 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.644 -18.712 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.500 -18.074 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.967 -17.329 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.091 -19.525 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.835 -19.541 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.194 -21.618 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.286 -20.749 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.433 -21.578 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.413 -19.898 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.312 -20.526 -2.655 1.00 0.00 H new ATOM 941 N VAL A 63 7.639 -15.808 -4.676 1.00 0.00 N ATOM 942 CA VAL A 63 9.061 -15.756 -4.424 1.00 0.00 C ATOM 943 C VAL A 63 9.281 -15.868 -2.915 1.00 0.00 C ATOM 944 O VAL A 63 8.438 -15.446 -2.120 1.00 0.00 O ATOM 945 CB VAL A 63 9.688 -14.461 -4.976 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.678 -14.444 -6.508 1.00 0.00 C ATOM 947 CG2 VAL A 63 9.003 -13.188 -4.456 1.00 0.00 C ATOM 0 H VAL A 63 7.103 -15.294 -3.977 1.00 0.00 H new ATOM 0 HA VAL A 63 9.551 -16.583 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 63 10.716 -14.460 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.127 -13.517 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.249 -15.292 -6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.651 -14.510 -6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.492 -12.312 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.953 -13.195 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.078 -13.153 -3.369 1.00 0.00 H new ATOM 957 N THR A 64 10.415 -16.438 -2.514 1.00 0.00 N ATOM 958 CA THR A 64 10.864 -16.359 -1.136 1.00 0.00 C ATOM 959 C THR A 64 11.274 -14.906 -0.912 1.00 0.00 C ATOM 960 O THR A 64 12.024 -14.362 -1.723 1.00 0.00 O ATOM 961 CB THR A 64 12.042 -17.313 -0.921 1.00 0.00 C ATOM 962 OG1 THR A 64 11.736 -18.572 -1.489 1.00 0.00 O ATOM 963 CG2 THR A 64 12.353 -17.486 0.568 1.00 0.00 C ATOM 0 H THR A 64 11.038 -16.960 -3.130 1.00 0.00 H new ATOM 0 HA THR A 64 10.087 -16.652 -0.430 1.00 0.00 H new ATOM 0 HB THR A 64 12.921 -16.886 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.490 -19.184 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.194 -18.169 0.687 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.607 -16.519 1.001 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.480 -17.894 1.077 1.00 0.00 H new ATOM 971 N CYS A 65 10.769 -14.246 0.130 1.00 0.00 N ATOM 972 CA CYS A 65 11.109 -12.853 0.346 1.00 0.00 C ATOM 973 C CYS A 65 12.584 -12.764 0.733 1.00 0.00 C ATOM 974 O CYS A 65 13.137 -13.713 1.286 1.00 0.00 O ATOM 975 CB CYS A 65 10.217 -12.260 1.431 1.00 0.00 C ATOM 976 SG CYS A 65 8.432 -12.421 1.188 1.00 0.00 S ATOM 0 H CYS A 65 10.136 -14.649 0.821 1.00 0.00 H new ATOM 0 HA CYS A 65 10.946 -12.279 -0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.476 -12.730 2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 65 10.454 -11.200 1.526 1.00 0.00 H new ATOM 981 N LYS A 66 13.230 -11.630 0.455 1.00 0.00 N ATOM 982 CA LYS A 66 14.672 -11.476 0.647 1.00 0.00 C ATOM 983 C LYS A 66 15.078 -11.710 2.107 1.00 0.00 C ATOM 984 O LYS A 66 16.151 -12.241 2.381 1.00 0.00 O ATOM 985 CB LYS A 66 15.133 -10.099 0.153 1.00 0.00 C ATOM 986 CG LYS A 66 14.953 -9.965 -1.368 1.00 0.00 C ATOM 987 CD LYS A 66 15.440 -8.610 -1.902 1.00 0.00 C ATOM 988 CE LYS A 66 16.962 -8.448 -1.791 1.00 0.00 C ATOM 989 NZ LYS A 66 17.422 -7.224 -2.469 1.00 0.00 N ATOM 0 H LYS A 66 12.770 -10.796 0.092 1.00 0.00 H new ATOM 0 HA LYS A 66 15.173 -12.239 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.564 -9.319 0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 66 16.181 -9.949 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 66 15.499 -10.766 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.900 -10.093 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.142 -8.506 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.951 -7.808 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 66 17.250 -8.414 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.455 -9.316 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.455 -7.143 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.167 -7.269 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.969 -6.395 -2.034 1.00 0.00 H new ATOM 1003 N ASP A 67 14.200 -11.339 3.042 1.00 0.00 N ATOM 1004 CA ASP A 67 14.361 -11.608 4.468 1.00 0.00 C ATOM 1005 C ASP A 67 14.484 -13.103 4.797 1.00 0.00 C ATOM 1006 O ASP A 67 14.966 -13.449 5.872 1.00 0.00 O ATOM 1007 CB ASP A 67 13.190 -10.986 5.241 1.00 0.00 C ATOM 1008 CG ASP A 67 11.841 -11.437 4.689 1.00 0.00 C ATOM 1009 OD1 ASP A 67 11.450 -12.589 4.976 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.245 -10.630 3.944 1.00 0.00 O ATOM 0 H ASP A 67 13.342 -10.834 2.822 1.00 0.00 H new ATOM 0 HA ASP A 67 15.302 -11.152 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.262 -11.261 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.258 -9.899 5.191 1.00 0.00 H new ATOM 1015 N GLY A 68 14.007 -13.994 3.921 1.00 0.00 N ATOM 1016 CA GLY A 68 14.083 -15.436 4.114 1.00 0.00 C ATOM 1017 C GLY A 68 13.149 -15.954 5.211 1.00 0.00 C ATOM 1018 O GLY A 68 13.207 -17.132 5.555 1.00 0.00 O ATOM 0 H GLY A 68 13.552 -13.725 3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.840 -15.934 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.109 -15.708 4.362 1.00 0.00 H new ATOM 1022 N GLN A 69 12.281 -15.097 5.756 1.00 0.00 N ATOM 1023 CA GLN A 69 11.365 -15.442 6.832 1.00 0.00 C ATOM 1024 C GLN A 69 10.072 -16.013 6.257 1.00 0.00 C ATOM 1025 O GLN A 69 9.483 -16.925 6.830 1.00 0.00 O ATOM 1026 CB GLN A 69 11.081 -14.186 7.665 1.00 0.00 C ATOM 1027 CG GLN A 69 10.438 -14.483 9.028 1.00 0.00 C ATOM 1028 CD GLN A 69 11.297 -15.365 9.935 1.00 0.00 C ATOM 1029 OE1 GLN A 69 10.806 -16.320 10.524 1.00 0.00 O ATOM 1030 NE2 GLN A 69 12.585 -15.058 10.063 1.00 0.00 N ATOM 0 H GLN A 69 12.199 -14.127 5.452 1.00 0.00 H new ATOM 0 HA GLN A 69 11.814 -16.202 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.015 -13.647 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.424 -13.526 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.237 -13.541 9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.476 -14.970 8.867 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.971 -14.258 9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.187 -15.623 10.662 1.00 0.00 H new ATOM 1039 N THR A 70 9.610 -15.438 5.143 1.00 0.00 N ATOM 1040 CA THR A 70 8.372 -15.845 4.494 1.00 0.00 C ATOM 1041 C THR A 70 8.482 -15.749 2.977 1.00 0.00 C ATOM 1042 O THR A 70 9.566 -15.561 2.416 1.00 0.00 O ATOM 1043 CB THR A 70 7.191 -15.038 5.057 1.00 0.00 C ATOM 1044 OG1 THR A 70 5.953 -15.578 4.629 1.00 0.00 O ATOM 1045 CG2 THR A 70 7.251 -13.546 4.712 1.00 0.00 C ATOM 0 H THR A 70 10.091 -14.674 4.668 1.00 0.00 H new ATOM 0 HA THR A 70 8.185 -16.896 4.716 1.00 0.00 H new ATOM 0 HB THR A 70 7.271 -15.120 6.141 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.501 -14.936 4.043 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.387 -13.038 5.141 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.165 -13.115 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.244 -13.422 3.629 1.00 0.00 H new ATOM 1053 N ASN A 71 7.327 -15.886 2.327 1.00 0.00 N ATOM 1054 CA ASN A 71 7.147 -15.866 0.903 1.00 0.00 C ATOM 1055 C ASN A 71 6.164 -14.755 0.576 1.00 0.00 C ATOM 1056 O ASN A 71 5.276 -14.438 1.367 1.00 0.00 O ATOM 1057 CB ASN A 71 6.661 -17.226 0.387 1.00 0.00 C ATOM 1058 CG ASN A 71 5.221 -17.538 0.799 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.322 -17.571 -0.035 1.00 0.00 O ATOM 1060 ND2 ASN A 71 4.981 -17.789 2.083 1.00 0.00 N ATOM 0 H ASN A 71 6.447 -16.021 2.825 1.00 0.00 H new ATOM 0 HA ASN A 71 8.097 -15.674 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.735 -17.244 -0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.319 -18.009 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.035 -18.014 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.743 -17.756 2.760 1.00 0.00 H new ATOM 1067 N CYS A 72 6.369 -14.145 -0.580 1.00 0.00 N ATOM 1068 CA CYS A 72 5.591 -13.039 -1.107 1.00 0.00 C ATOM 1069 C CYS A 72 5.452 -13.264 -2.602 1.00 0.00 C ATOM 1070 O CYS A 72 6.101 -14.149 -3.147 1.00 0.00 O ATOM 1071 CB CYS A 72 6.227 -11.675 -0.784 1.00 0.00 C ATOM 1072 SG CYS A 72 8.033 -11.575 -0.680 1.00 0.00 S ATOM 0 H CYS A 72 7.123 -14.424 -1.208 1.00 0.00 H new ATOM 0 HA CYS A 72 4.609 -13.011 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.898 -10.966 -1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.819 -11.335 0.168 1.00 0.00 H new ATOM 1077 N TYR A 73 4.560 -12.525 -3.255 1.00 0.00 N ATOM 1078 CA TYR A 73 4.160 -12.770 -4.625 1.00 0.00 C ATOM 1079 C TYR A 73 4.276 -11.460 -5.389 1.00 0.00 C ATOM 1080 O TYR A 73 3.725 -10.446 -4.953 1.00 0.00 O ATOM 1081 CB TYR A 73 2.718 -13.288 -4.666 1.00 0.00 C ATOM 1082 CG TYR A 73 2.463 -14.548 -3.860 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.418 -14.489 -2.454 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.241 -15.775 -4.511 1.00 0.00 C ATOM 1085 CE1 TYR A 73 2.341 -15.673 -1.704 1.00 0.00 C ATOM 1086 CE2 TYR A 73 2.038 -16.943 -3.756 1.00 0.00 C ATOM 1087 CZ TYR A 73 2.147 -16.900 -2.357 1.00 0.00 C ATOM 1088 OH TYR A 73 2.204 -18.061 -1.650 1.00 0.00 O ATOM 0 H TYR A 73 4.089 -11.725 -2.833 1.00 0.00 H new ATOM 0 HA TYR A 73 4.801 -13.525 -5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.056 -12.502 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.446 -13.478 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.443 -13.533 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.227 -15.820 -5.590 1.00 0.00 H new ATOM 0 HE1 TYR A 73 2.431 -15.640 -0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.798 -17.872 -4.251 1.00 0.00 H new ATOM 0 HH TYR A 73 2.872 -17.978 -0.938 1.00 0.00 H new ATOM 1098 N GLN A 74 5.033 -11.475 -6.488 1.00 0.00 N ATOM 1099 CA GLN A 74 5.165 -10.331 -7.370 1.00 0.00 C ATOM 1100 C GLN A 74 3.952 -10.158 -8.277 1.00 0.00 C ATOM 1101 O GLN A 74 3.361 -11.128 -8.757 1.00 0.00 O ATOM 1102 CB GLN A 74 6.466 -10.419 -8.175 1.00 0.00 C ATOM 1103 CG GLN A 74 6.516 -9.468 -9.378 1.00 0.00 C ATOM 1104 CD GLN A 74 7.893 -9.338 -10.014 1.00 0.00 C ATOM 1105 OE1 GLN A 74 8.865 -9.945 -9.577 1.00 0.00 O ATOM 1106 NE2 GLN A 74 7.980 -8.528 -11.063 1.00 0.00 N ATOM 0 H GLN A 74 5.571 -12.289 -6.786 1.00 0.00 H new ATOM 0 HA GLN A 74 5.211 -9.438 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.306 -10.200 -7.516 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.596 -11.442 -8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.811 -9.817 -10.133 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.180 -8.481 -9.061 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.151 -8.039 -11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.876 -8.395 -11.532 1.00 0.00 H new ATOM 1115 N SER A 75 3.655 -8.894 -8.571 1.00 0.00 N ATOM 1116 CA SER A 75 2.755 -8.518 -9.647 1.00 0.00 C ATOM 1117 C SER A 75 3.523 -8.676 -10.958 1.00 0.00 C ATOM 1118 O SER A 75 4.481 -7.947 -11.218 1.00 0.00 O ATOM 1119 CB SER A 75 2.211 -7.095 -9.460 1.00 0.00 C ATOM 1120 OG SER A 75 3.247 -6.139 -9.417 1.00 0.00 O ATOM 0 H SER A 75 4.039 -8.098 -8.061 1.00 0.00 H new ATOM 0 HA SER A 75 1.877 -9.164 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.530 -6.856 -10.277 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.632 -7.045 -8.538 1.00 0.00 H new ATOM 0 HG SER A 75 3.392 -5.773 -10.314 1.00 0.00 H new ATOM 1126 N LYS A 76 3.116 -9.655 -11.769 1.00 0.00 N ATOM 1127 CA LYS A 76 3.635 -9.852 -13.117 1.00 0.00 C ATOM 1128 C LYS A 76 3.657 -8.543 -13.901 1.00 0.00 C ATOM 1129 O LYS A 76 4.606 -8.270 -14.633 1.00 0.00 O ATOM 1130 CB LYS A 76 2.836 -10.962 -13.821 1.00 0.00 C ATOM 1131 CG LYS A 76 1.322 -10.692 -13.894 1.00 0.00 C ATOM 1132 CD LYS A 76 0.592 -11.920 -14.449 1.00 0.00 C ATOM 1133 CE LYS A 76 -0.924 -11.690 -14.440 1.00 0.00 C ATOM 1134 NZ LYS A 76 -1.650 -12.883 -14.911 1.00 0.00 N ATOM 0 H LYS A 76 2.408 -10.339 -11.501 1.00 0.00 H new ATOM 0 HA LYS A 76 4.673 -10.179 -13.061 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.222 -11.088 -14.833 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.002 -11.903 -13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.940 -10.450 -12.902 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.130 -9.827 -14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.929 -12.123 -15.465 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.837 -12.798 -13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.250 -11.439 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.168 -10.839 -15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.673 -12.696 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.356 -13.107 -15.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.434 -13.688 -14.289 1.00 0.00 H new ATOM 1148 N SER A 77 2.621 -7.727 -13.722 1.00 0.00 N ATOM 1149 CA SER A 77 2.533 -6.401 -14.272 1.00 0.00 C ATOM 1150 C SER A 77 2.998 -5.379 -13.237 1.00 0.00 C ATOM 1151 O SER A 77 2.896 -5.592 -12.031 1.00 0.00 O ATOM 1152 CB SER A 77 1.066 -6.149 -14.638 1.00 0.00 C ATOM 1153 OG SER A 77 0.232 -6.793 -13.684 1.00 0.00 O ATOM 0 H SER A 77 1.803 -7.989 -13.173 1.00 0.00 H new ATOM 0 HA SER A 77 3.167 -6.306 -15.153 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.861 -5.079 -14.655 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.857 -6.529 -15.638 1.00 0.00 H new ATOM 0 HG SER A 77 -0.223 -6.118 -13.139 1.00 0.00 H new ATOM 1159 N THR A 78 3.488 -4.243 -13.718 1.00 0.00 N ATOM 1160 CA THR A 78 3.678 -3.058 -12.907 1.00 0.00 C ATOM 1161 C THR A 78 2.290 -2.432 -12.762 1.00 0.00 C ATOM 1162 O THR A 78 1.504 -2.447 -13.710 1.00 0.00 O ATOM 1163 CB THR A 78 4.652 -2.135 -13.656 1.00 0.00 C ATOM 1164 OG1 THR A 78 4.267 -2.057 -15.015 1.00 0.00 O ATOM 1165 CG2 THR A 78 6.078 -2.692 -13.632 1.00 0.00 C ATOM 0 H THR A 78 3.766 -4.123 -14.692 1.00 0.00 H new ATOM 0 HA THR A 78 4.097 -3.257 -11.921 1.00 0.00 H new ATOM 0 HB THR A 78 4.625 -1.162 -13.166 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.884 -1.468 -15.497 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.742 -2.016 -14.170 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.415 -2.786 -12.600 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.094 -3.672 -14.109 1.00 0.00 H new ATOM 1173 N MET A 79 1.965 -1.935 -11.569 1.00 0.00 N ATOM 1174 CA MET A 79 0.675 -1.359 -11.245 1.00 0.00 C ATOM 1175 C MET A 79 0.900 0.067 -10.754 1.00 0.00 C ATOM 1176 O MET A 79 2.009 0.426 -10.352 1.00 0.00 O ATOM 1177 CB MET A 79 -0.029 -2.216 -10.182 1.00 0.00 C ATOM 1178 CG MET A 79 -0.159 -3.690 -10.604 1.00 0.00 C ATOM 1179 SD MET A 79 -1.028 -4.023 -12.161 1.00 0.00 S ATOM 1180 CE MET A 79 -2.706 -3.496 -11.754 1.00 0.00 C ATOM 0 H MET A 79 2.616 -1.925 -10.784 1.00 0.00 H new ATOM 0 HA MET A 79 0.031 -1.337 -12.124 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.527 -2.157 -9.246 1.00 0.00 H new ATOM 0 HB3 MET A 79 -1.021 -1.808 -9.990 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.843 -4.112 -10.678 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.673 -4.227 -9.807 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.357 -3.660 -12.613 1.00 0.00 H new ATOM 0 HE2 MET A 79 -3.073 -4.073 -10.905 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.703 -2.437 -11.498 1.00 0.00 H new ATOM 1190 N ARG A 80 -0.155 0.879 -10.813 1.00 0.00 N ATOM 1191 CA ARG A 80 -0.135 2.254 -10.347 1.00 0.00 C ATOM 1192 C ARG A 80 -0.031 2.240 -8.823 1.00 0.00 C ATOM 1193 O ARG A 80 -0.946 1.768 -8.147 1.00 0.00 O ATOM 1194 CB ARG A 80 -1.414 2.965 -10.808 1.00 0.00 C ATOM 1195 CG ARG A 80 -1.466 3.108 -12.336 1.00 0.00 C ATOM 1196 CD ARG A 80 -2.880 3.439 -12.821 1.00 0.00 C ATOM 1197 NE ARG A 80 -3.360 4.715 -12.274 1.00 0.00 N ATOM 1198 CZ ARG A 80 -4.536 5.278 -12.585 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -5.380 4.654 -13.414 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -4.861 6.466 -12.064 1.00 0.00 N ATOM 0 H ARG A 80 -1.057 0.591 -11.192 1.00 0.00 H new ATOM 0 HA ARG A 80 0.718 2.793 -10.759 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.285 2.406 -10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.467 3.952 -10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.779 3.893 -12.653 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.128 2.182 -12.801 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.889 3.484 -13.910 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.561 2.639 -12.529 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.758 5.206 -11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.129 3.748 -13.811 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.275 5.084 -13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.215 6.940 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -5.755 6.898 -12.298 1.00 0.00 H new ATOM 1214 N ILE A 81 1.079 2.737 -8.278 1.00 0.00 N ATOM 1215 CA ILE A 81 1.297 2.870 -6.861 1.00 0.00 C ATOM 1216 C ILE A 81 1.586 4.329 -6.531 1.00 0.00 C ATOM 1217 O ILE A 81 2.373 4.984 -7.215 1.00 0.00 O ATOM 1218 CB ILE A 81 2.414 1.923 -6.408 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.799 2.140 -7.051 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.988 0.467 -6.625 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.735 2.944 -6.146 1.00 0.00 C ATOM 0 H ILE A 81 1.867 3.064 -8.837 1.00 0.00 H new ATOM 0 HA ILE A 81 0.402 2.581 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 81 2.548 2.160 -5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.251 1.173 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.679 2.660 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.788 -0.198 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.088 0.261 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.785 0.301 -7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.698 3.072 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.297 3.922 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.878 2.412 -5.206 1.00 0.00 H new ATOM 1233 N THR A 82 0.938 4.820 -5.476 1.00 0.00 N ATOM 1234 CA THR A 82 1.139 6.134 -4.903 1.00 0.00 C ATOM 1235 C THR A 82 2.024 5.939 -3.676 1.00 0.00 C ATOM 1236 O THR A 82 1.531 5.776 -2.559 1.00 0.00 O ATOM 1237 CB THR A 82 -0.233 6.763 -4.619 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.960 6.819 -5.831 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.129 8.177 -4.054 1.00 0.00 C ATOM 0 H THR A 82 0.228 4.281 -4.980 1.00 0.00 H new ATOM 0 HA THR A 82 1.645 6.835 -5.567 1.00 0.00 H new ATOM 0 HB THR A 82 -0.731 6.144 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.840 7.217 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.129 8.571 -3.873 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.427 8.154 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.389 8.817 -4.768 1.00 0.00 H new ATOM 1247 N ASP A 83 3.342 5.902 -3.898 1.00 0.00 N ATOM 1248 CA ASP A 83 4.311 5.756 -2.834 1.00 0.00 C ATOM 1249 C ASP A 83 4.405 7.065 -2.073 1.00 0.00 C ATOM 1250 O ASP A 83 5.052 7.998 -2.551 1.00 0.00 O ATOM 1251 CB ASP A 83 5.681 5.314 -3.354 1.00 0.00 C ATOM 1252 CG ASP A 83 6.620 5.042 -2.182 1.00 0.00 C ATOM 1253 OD1 ASP A 83 6.230 4.206 -1.335 1.00 0.00 O ATOM 1254 OD2 ASP A 83 7.695 5.678 -2.149 1.00 0.00 O ATOM 0 H ASP A 83 3.757 5.974 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 83 3.975 4.966 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.576 4.416 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.102 6.087 -3.997 1.00 0.00 H new ATOM 1259 N CYS A 84 3.736 7.141 -0.918 1.00 0.00 N ATOM 1260 CA CYS A 84 3.688 8.361 -0.137 1.00 0.00 C ATOM 1261 C CYS A 84 4.608 8.247 1.069 1.00 0.00 C ATOM 1262 O CYS A 84 4.608 7.214 1.736 1.00 0.00 O ATOM 1263 CB CYS A 84 2.240 8.722 0.207 1.00 0.00 C ATOM 1264 SG CYS A 84 1.891 10.392 -0.362 1.00 0.00 S ATOM 0 H CYS A 84 3.220 6.362 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 84 4.066 9.197 -0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.556 8.015 -0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.082 8.652 1.283 1.00 0.00 H new ATOM 1269 N ARG A 85 5.437 9.264 1.322 1.00 0.00 N ATOM 1270 CA ARG A 85 6.454 9.203 2.368 1.00 0.00 C ATOM 1271 C ARG A 85 6.432 10.517 3.120 1.00 0.00 C ATOM 1272 O ARG A 85 6.414 11.551 2.468 1.00 0.00 O ATOM 1273 CB ARG A 85 7.839 9.022 1.740 1.00 0.00 C ATOM 1274 CG ARG A 85 7.931 7.709 0.950 1.00 0.00 C ATOM 1275 CD ARG A 85 9.361 7.419 0.485 1.00 0.00 C ATOM 1276 NE ARG A 85 10.256 7.173 1.623 1.00 0.00 N ATOM 1277 CZ ARG A 85 11.541 6.808 1.517 1.00 0.00 C ATOM 1278 NH1 ARG A 85 12.101 6.652 0.312 1.00 0.00 N ATOM 1279 NH2 ARG A 85 12.261 6.600 2.624 1.00 0.00 N ATOM 0 H ARG A 85 5.420 10.146 0.810 1.00 0.00 H new ATOM 0 HA ARG A 85 6.249 8.365 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.052 9.862 1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.598 9.031 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.578 6.886 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.271 7.760 0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.362 6.551 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.734 8.262 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 85 9.872 7.288 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.549 6.811 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.079 6.374 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.832 6.719 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.240 6.322 2.551 1.00 0.00 H new ATOM 1293 N GLU A 86 6.435 10.514 4.453 1.00 0.00 N ATOM 1294 CA GLU A 86 6.407 11.755 5.213 1.00 0.00 C ATOM 1295 C GLU A 86 7.489 12.728 4.696 1.00 0.00 C ATOM 1296 O GLU A 86 8.669 12.382 4.699 1.00 0.00 O ATOM 1297 CB GLU A 86 6.486 11.450 6.719 1.00 0.00 C ATOM 1298 CG GLU A 86 7.856 10.959 7.213 1.00 0.00 C ATOM 1299 CD GLU A 86 7.863 10.636 8.706 1.00 0.00 C ATOM 1300 OE1 GLU A 86 6.954 11.124 9.411 1.00 0.00 O ATOM 1301 OE2 GLU A 86 8.784 9.896 9.115 1.00 0.00 O ATOM 0 H GLU A 86 6.456 9.668 5.023 1.00 0.00 H new ATOM 0 HA GLU A 86 5.459 12.272 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.220 12.351 7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.738 10.695 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.143 10.070 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.607 11.722 7.007 1.00 0.00 H new ATOM 1308 N THR A 87 7.098 13.903 4.176 1.00 0.00 N ATOM 1309 CA THR A 87 8.061 14.908 3.714 1.00 0.00 C ATOM 1310 C THR A 87 9.180 15.139 4.741 1.00 0.00 C ATOM 1311 O THR A 87 8.938 15.089 5.948 1.00 0.00 O ATOM 1312 CB THR A 87 7.372 16.251 3.407 1.00 0.00 C ATOM 1313 OG1 THR A 87 6.744 16.776 4.556 1.00 0.00 O ATOM 1314 CG2 THR A 87 6.321 16.173 2.302 1.00 0.00 C ATOM 0 H THR A 87 6.122 14.177 4.066 1.00 0.00 H new ATOM 0 HA THR A 87 8.500 14.514 2.797 1.00 0.00 H new ATOM 0 HB THR A 87 8.179 16.899 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.271 17.526 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.883 17.159 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.789 15.834 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.540 15.470 2.592 1.00 0.00 H new ATOM 1322 N GLY A 88 10.396 15.449 4.271 1.00 0.00 N ATOM 1323 CA GLY A 88 11.517 15.839 5.122 1.00 0.00 C ATOM 1324 C GLY A 88 11.260 17.213 5.744 1.00 0.00 C ATOM 1325 O GLY A 88 11.874 18.203 5.355 1.00 0.00 O ATOM 0 H GLY A 88 10.626 15.434 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.660 15.098 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.436 15.864 4.536 1.00 0.00 H new ATOM 1329 N SER A 89 10.328 17.250 6.697 1.00 0.00 N ATOM 1330 CA SER A 89 9.718 18.437 7.286 1.00 0.00 C ATOM 1331 C SER A 89 8.505 18.020 8.124 1.00 0.00 C ATOM 1332 O SER A 89 8.238 18.611 9.165 1.00 0.00 O ATOM 1333 CB SER A 89 9.275 19.422 6.192 1.00 0.00 C ATOM 1334 OG SER A 89 8.569 18.760 5.154 1.00 0.00 O ATOM 0 H SER A 89 9.956 16.392 7.104 1.00 0.00 H new ATOM 0 HA SER A 89 10.454 18.932 7.919 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.642 20.194 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.149 19.924 5.777 1.00 0.00 H new ATOM 0 HG SER A 89 8.299 19.412 4.474 1.00 0.00 H new ATOM 1340 N SER A 90 7.779 17.007 7.640 1.00 0.00 N ATOM 1341 CA SER A 90 6.605 16.415 8.258 1.00 0.00 C ATOM 1342 C SER A 90 6.843 16.166 9.748 1.00 0.00 C ATOM 1343 O SER A 90 7.692 15.348 10.104 1.00 0.00 O ATOM 1344 CB SER A 90 6.320 15.099 7.525 1.00 0.00 C ATOM 1345 OG SER A 90 5.019 14.606 7.771 1.00 0.00 O ATOM 0 H SER A 90 8.015 16.558 6.755 1.00 0.00 H new ATOM 0 HA SER A 90 5.751 17.088 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.450 15.250 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.051 14.351 7.833 1.00 0.00 H new ATOM 0 HG SER A 90 4.635 14.266 6.936 1.00 0.00 H new ATOM 1351 N LYS A 91 6.112 16.865 10.617 1.00 0.00 N ATOM 1352 CA LYS A 91 6.226 16.707 12.057 1.00 0.00 C ATOM 1353 C LYS A 91 4.922 17.169 12.695 1.00 0.00 C ATOM 1354 O LYS A 91 4.504 18.304 12.480 1.00 0.00 O ATOM 1355 CB LYS A 91 7.423 17.514 12.587 1.00 0.00 C ATOM 1356 CG LYS A 91 7.592 17.332 14.102 1.00 0.00 C ATOM 1357 CD LYS A 91 8.821 18.103 14.600 1.00 0.00 C ATOM 1358 CE LYS A 91 9.041 17.894 16.105 1.00 0.00 C ATOM 1359 NZ LYS A 91 7.917 18.412 16.907 1.00 0.00 N ATOM 0 H LYS A 91 5.421 17.560 10.334 1.00 0.00 H new ATOM 0 HA LYS A 91 6.400 15.661 12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.333 17.197 12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.282 18.570 12.359 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.700 17.685 14.619 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.699 16.273 14.338 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.705 17.775 14.053 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.694 19.166 14.393 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.171 16.831 16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.962 18.391 16.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.171 18.390 17.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.710 19.391 16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.076 17.821 16.749 1.00 0.00 H new ATOM 1373 N TYR A 92 4.289 16.296 13.485 1.00 0.00 N ATOM 1374 CA TYR A 92 3.063 16.596 14.214 1.00 0.00 C ATOM 1375 C TYR A 92 3.090 17.994 14.851 1.00 0.00 C ATOM 1376 O TYR A 92 4.066 18.319 15.528 1.00 0.00 O ATOM 1377 CB TYR A 92 2.816 15.515 15.276 1.00 0.00 C ATOM 1378 CG TYR A 92 1.352 15.345 15.623 1.00 0.00 C ATOM 1379 CD1 TYR A 92 0.544 14.466 14.879 1.00 0.00 C ATOM 1380 CD2 TYR A 92 0.772 16.169 16.604 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -0.840 14.417 15.111 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -0.613 16.124 16.830 1.00 0.00 C ATOM 1383 CZ TYR A 92 -1.419 15.243 16.093 1.00 0.00 C ATOM 1384 OH TYR A 92 -2.760 15.220 16.321 1.00 0.00 O ATOM 0 H TYR A 92 4.625 15.345 13.635 1.00 0.00 H new ATOM 0 HA TYR A 92 2.240 16.596 13.499 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.211 14.565 14.917 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.370 15.769 16.180 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.988 13.829 14.129 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.392 16.837 17.184 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.460 13.746 14.536 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.059 16.769 17.573 1.00 0.00 H new ATOM 0 HH TYR A 92 -3.157 14.450 15.862 1.00 0.00 H new ATOM 1394 N PRO A 93 2.059 18.833 14.649 1.00 0.00 N ATOM 1395 CA PRO A 93 0.817 18.557 13.930 1.00 0.00 C ATOM 1396 C PRO A 93 0.987 18.697 12.412 1.00 0.00 C ATOM 1397 O PRO A 93 0.135 18.252 11.645 1.00 0.00 O ATOM 1398 CB PRO A 93 -0.160 19.612 14.451 1.00 0.00 C ATOM 1399 CG PRO A 93 0.741 20.825 14.681 1.00 0.00 C ATOM 1400 CD PRO A 93 2.052 20.196 15.156 1.00 0.00 C ATOM 0 HA PRO A 93 0.478 17.534 14.095 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.948 19.825 13.729 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.649 19.291 15.371 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.879 21.404 13.768 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.324 21.501 15.427 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.909 20.755 14.781 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.116 20.206 16.244 1.00 0.00 H new ATOM 1408 N ASN A 94 2.079 19.321 11.966 1.00 0.00 N ATOM 1409 CA ASN A 94 2.334 19.635 10.573 1.00 0.00 C ATOM 1410 C ASN A 94 2.864 18.395 9.856 1.00 0.00 C ATOM 1411 O ASN A 94 3.999 18.375 9.384 1.00 0.00 O ATOM 1412 CB ASN A 94 3.325 20.806 10.504 1.00 0.00 C ATOM 1413 CG ASN A 94 3.443 21.356 9.089 1.00 0.00 C ATOM 1414 OD1 ASN A 94 4.487 21.282 8.452 1.00 0.00 O ATOM 1415 ND2 ASN A 94 2.361 21.949 8.591 1.00 0.00 N ATOM 0 H ASN A 94 2.827 19.627 12.588 1.00 0.00 H new ATOM 0 HA ASN A 94 1.414 19.934 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.000 21.599 11.178 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.305 20.476 10.850 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.387 22.357 7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.505 21.996 9.144 1.00 0.00 H new ATOM 1422 N CYS A 95 2.050 17.341 9.789 1.00 0.00 N ATOM 1423 CA CYS A 95 2.395 16.159 9.012 1.00 0.00 C ATOM 1424 C CYS A 95 2.017 16.403 7.555 1.00 0.00 C ATOM 1425 O CYS A 95 0.890 16.797 7.258 1.00 0.00 O ATOM 1426 CB CYS A 95 1.708 14.895 9.529 1.00 0.00 C ATOM 1427 SG CYS A 95 2.175 14.396 11.200 1.00 0.00 S ATOM 0 H CYS A 95 1.149 17.285 10.264 1.00 0.00 H new ATOM 0 HA CYS A 95 3.468 15.992 9.108 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.629 15.050 9.501 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.930 14.075 8.846 1.00 0.00 H new ATOM 1432 N ALA A 96 2.959 16.153 6.649 1.00 0.00 N ATOM 1433 CA ALA A 96 2.785 16.235 5.208 1.00 0.00 C ATOM 1434 C ALA A 96 3.480 15.032 4.572 1.00 0.00 C ATOM 1435 O ALA A 96 4.377 14.440 5.173 1.00 0.00 O ATOM 1436 CB ALA A 96 3.347 17.562 4.692 1.00 0.00 C ATOM 0 H ALA A 96 3.904 15.876 6.915 1.00 0.00 H new ATOM 0 HA ALA A 96 1.728 16.209 4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.214 17.618 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 96 2.819 18.390 5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.409 17.625 4.930 1.00 0.00 H new ATOM 1442 N TYR A 97 3.032 14.630 3.381 1.00 0.00 N ATOM 1443 CA TYR A 97 3.442 13.384 2.751 1.00 0.00 C ATOM 1444 C TYR A 97 3.855 13.643 1.309 1.00 0.00 C ATOM 1445 O TYR A 97 3.057 14.112 0.502 1.00 0.00 O ATOM 1446 CB TYR A 97 2.313 12.356 2.865 1.00 0.00 C ATOM 1447 CG TYR A 97 2.256 11.682 4.223 1.00 0.00 C ATOM 1448 CD1 TYR A 97 1.689 12.354 5.323 1.00 0.00 C ATOM 1449 CD2 TYR A 97 2.840 10.415 4.407 1.00 0.00 C ATOM 1450 CE1 TYR A 97 1.661 11.739 6.586 1.00 0.00 C ATOM 1451 CE2 TYR A 97 2.804 9.799 5.670 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.183 10.448 6.751 1.00 0.00 C ATOM 1453 OH TYR A 97 2.059 9.826 7.956 1.00 0.00 O ATOM 0 H TYR A 97 2.368 15.169 2.825 1.00 0.00 H new ATOM 0 HA TYR A 97 4.311 12.971 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.360 12.849 2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.442 11.596 2.094 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.275 13.343 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.317 9.915 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.237 12.261 7.431 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.254 8.827 5.810 1.00 0.00 H new ATOM 0 HH TYR A 97 2.746 9.132 8.038 1.00 0.00 H new ATOM 1463 N LYS A 98 5.124 13.367 1.009 1.00 0.00 N ATOM 1464 CA LYS A 98 5.693 13.448 -0.312 1.00 0.00 C ATOM 1465 C LYS A 98 5.106 12.328 -1.165 1.00 0.00 C ATOM 1466 O LYS A 98 5.228 11.171 -0.771 1.00 0.00 O ATOM 1467 CB LYS A 98 7.222 13.326 -0.254 1.00 0.00 C ATOM 1468 CG LYS A 98 7.857 13.796 -1.570 1.00 0.00 C ATOM 1469 CD LYS A 98 9.384 13.637 -1.576 1.00 0.00 C ATOM 1470 CE LYS A 98 9.855 12.175 -1.541 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.310 11.386 -2.661 1.00 0.00 N ATOM 0 H LYS A 98 5.799 13.071 1.714 1.00 0.00 H new ATOM 0 HA LYS A 98 5.452 14.416 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.608 13.921 0.574 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.502 12.291 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.433 13.228 -2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.603 14.843 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.787 14.117 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.798 14.163 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.944 12.145 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.552 11.720 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.794 10.467 -2.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.292 11.234 -2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.459 11.900 -3.553 1.00 0.00 H new ATOM 1485 N THR A 99 4.498 12.650 -2.309 1.00 0.00 N ATOM 1486 CA THR A 99 3.741 11.686 -3.100 1.00 0.00 C ATOM 1487 C THR A 99 4.451 11.310 -4.399 1.00 0.00 C ATOM 1488 O THR A 99 4.383 12.062 -5.372 1.00 0.00 O ATOM 1489 CB THR A 99 2.356 12.271 -3.400 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.754 12.736 -2.213 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.459 11.218 -4.057 1.00 0.00 C ATOM 0 H THR A 99 4.519 13.587 -2.710 1.00 0.00 H new ATOM 0 HA THR A 99 3.648 10.768 -2.519 1.00 0.00 H new ATOM 0 HB THR A 99 2.480 13.107 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.495 11.972 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.480 11.651 -4.263 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.912 10.886 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.345 10.367 -3.386 1.00 0.00 H new ATOM 1499 N THR A 100 5.055 10.121 -4.451 1.00 0.00 N ATOM 1500 CA THR A 100 5.565 9.543 -5.686 1.00 0.00 C ATOM 1501 C THR A 100 4.495 8.614 -6.267 1.00 0.00 C ATOM 1502 O THR A 100 4.463 7.431 -5.927 1.00 0.00 O ATOM 1503 CB THR A 100 6.873 8.790 -5.398 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.794 9.658 -4.770 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.496 8.256 -6.693 1.00 0.00 C ATOM 0 H THR A 100 5.202 9.533 -3.631 1.00 0.00 H new ATOM 0 HA THR A 100 5.785 10.322 -6.416 1.00 0.00 H new ATOM 0 HB THR A 100 6.643 7.949 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.626 9.174 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.421 7.727 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.799 7.572 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.712 9.088 -7.363 1.00 0.00 H new ATOM 1513 N GLN A 101 3.626 9.133 -7.143 1.00 0.00 N ATOM 1514 CA GLN A 101 2.719 8.288 -7.916 1.00 0.00 C ATOM 1515 C GLN A 101 3.386 7.837 -9.214 1.00 0.00 C ATOM 1516 O GLN A 101 3.867 8.672 -9.976 1.00 0.00 O ATOM 1517 CB GLN A 101 1.319 8.897 -8.070 1.00 0.00 C ATOM 1518 CG GLN A 101 1.221 10.280 -8.725 1.00 0.00 C ATOM 1519 CD GLN A 101 -0.232 10.763 -8.686 1.00 0.00 C ATOM 1520 OE1 GLN A 101 -1.151 10.004 -8.976 1.00 0.00 O ATOM 1521 NE2 GLN A 101 -0.466 12.010 -8.294 1.00 0.00 N ATOM 0 H GLN A 101 3.535 10.131 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 101 2.524 7.376 -7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.712 8.204 -8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.868 8.960 -7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.865 10.988 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.571 10.231 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.313 12.625 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.424 12.353 -8.229 1.00 0.00 H new ATOM 1530 N VAL A 102 3.477 6.518 -9.424 1.00 0.00 N ATOM 1531 CA VAL A 102 4.267 5.909 -10.487 1.00 0.00 C ATOM 1532 C VAL A 102 3.732 4.499 -10.767 1.00 0.00 C ATOM 1533 O VAL A 102 2.917 3.986 -10.002 1.00 0.00 O ATOM 1534 CB VAL A 102 5.755 5.931 -10.068 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.019 5.068 -8.826 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.715 5.531 -11.196 1.00 0.00 C ATOM 0 H VAL A 102 2.991 5.834 -8.844 1.00 0.00 H new ATOM 0 HA VAL A 102 4.185 6.465 -11.421 1.00 0.00 H new ATOM 0 HB VAL A 102 5.960 6.973 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.077 5.114 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.426 5.441 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.741 4.035 -9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.741 5.569 -10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.485 4.519 -11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.602 6.221 -12.032 1.00 0.00 H new ATOM 1546 N GLU A 103 4.180 3.870 -11.857 1.00 0.00 N ATOM 1547 CA GLU A 103 3.834 2.512 -12.243 1.00 0.00 C ATOM 1548 C GLU A 103 5.034 1.619 -11.960 1.00 0.00 C ATOM 1549 O GLU A 103 6.062 1.777 -12.615 1.00 0.00 O ATOM 1550 CB GLU A 103 3.447 2.460 -13.726 1.00 0.00 C ATOM 1551 CG GLU A 103 2.141 3.219 -14.007 1.00 0.00 C ATOM 1552 CD GLU A 103 2.283 4.735 -13.888 1.00 0.00 C ATOM 1553 OE1 GLU A 103 3.229 5.271 -14.507 1.00 0.00 O ATOM 1554 OE2 GLU A 103 1.457 5.329 -13.163 1.00 0.00 O ATOM 0 H GLU A 103 4.818 4.316 -12.516 1.00 0.00 H new ATOM 0 HA GLU A 103 2.974 2.164 -11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.251 2.887 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.336 1.421 -14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.794 2.972 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.374 2.878 -13.312 1.00 0.00 H new ATOM 1561 N LYS A 104 4.915 0.698 -11.002 1.00 0.00 N ATOM 1562 CA LYS A 104 5.976 -0.230 -10.631 1.00 0.00 C ATOM 1563 C LYS A 104 5.339 -1.527 -10.147 1.00 0.00 C ATOM 1564 O LYS A 104 4.141 -1.550 -9.879 1.00 0.00 O ATOM 1565 CB LYS A 104 6.868 0.340 -9.520 1.00 0.00 C ATOM 1566 CG LYS A 104 7.738 1.541 -9.914 1.00 0.00 C ATOM 1567 CD LYS A 104 8.785 1.153 -10.969 1.00 0.00 C ATOM 1568 CE LYS A 104 9.806 2.277 -11.165 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.821 1.901 -12.165 1.00 0.00 N ATOM 0 H LYS A 104 4.063 0.577 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 104 6.603 -0.404 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.233 0.634 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.521 -0.455 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.105 2.338 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.239 1.935 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.297 0.241 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.290 0.937 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.295 3.185 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.292 2.501 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.501 2.680 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.323 1.047 -11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.357 1.710 -13.076 1.00 0.00 H new ATOM 1583 N HIS A 105 6.118 -2.607 -10.054 1.00 0.00 N ATOM 1584 CA HIS A 105 5.579 -3.904 -9.666 1.00 0.00 C ATOM 1585 C HIS A 105 5.739 -4.108 -8.168 1.00 0.00 C ATOM 1586 O HIS A 105 6.780 -3.789 -7.585 1.00 0.00 O ATOM 1587 CB HIS A 105 6.089 -5.081 -10.514 1.00 0.00 C ATOM 1588 CG HIS A 105 7.548 -5.099 -10.873 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.606 -4.965 -9.999 1.00 0.00 N ATOM 1590 CD2 HIS A 105 8.048 -5.377 -12.115 1.00 0.00 C ATOM 1591 CE1 HIS A 105 9.738 -5.132 -10.710 1.00 0.00 C ATOM 1592 NE2 HIS A 105 9.422 -5.385 -11.994 1.00 0.00 N ATOM 0 H HIS A 105 7.120 -2.605 -10.242 1.00 0.00 H new ATOM 0 HA HIS A 105 4.512 -3.891 -9.888 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.863 -6.003 -9.979 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.515 -5.101 -11.440 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.478 -5.555 -13.015 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.741 -5.072 -10.313 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.086 -5.554 -12.749 1.00 0.00 H new ATOM 1601 N ILE A 106 4.655 -4.599 -7.571 1.00 0.00 N ATOM 1602 CA ILE A 106 4.513 -4.807 -6.137 1.00 0.00 C ATOM 1603 C ILE A 106 4.796 -6.262 -5.783 1.00 0.00 C ATOM 1604 O ILE A 106 4.570 -7.156 -6.594 1.00 0.00 O ATOM 1605 CB ILE A 106 3.136 -4.334 -5.636 1.00 0.00 C ATOM 1606 CG1 ILE A 106 1.982 -5.252 -6.076 1.00 0.00 C ATOM 1607 CG2 ILE A 106 2.876 -2.896 -6.104 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.658 -4.851 -5.424 1.00 0.00 C ATOM 0 H ILE A 106 3.823 -4.872 -8.094 1.00 0.00 H new ATOM 0 HA ILE A 106 5.253 -4.196 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 106 3.166 -4.374 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.880 -5.213 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.218 -6.284 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.900 -2.568 -5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.649 -2.238 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.894 -2.859 -7.193 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.131 -5.523 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.752 -4.915 -4.340 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.408 -3.828 -5.706 1.00 0.00 H new ATOM 1620 N ILE A 107 5.327 -6.473 -4.580 1.00 0.00 N ATOM 1621 CA ILE A 107 5.669 -7.752 -3.999 1.00 0.00 C ATOM 1622 C ILE A 107 4.932 -7.792 -2.661 1.00 0.00 C ATOM 1623 O ILE A 107 5.297 -7.074 -1.727 1.00 0.00 O ATOM 1624 CB ILE A 107 7.202 -7.871 -3.860 1.00 0.00 C ATOM 1625 CG1 ILE A 107 7.958 -7.975 -5.198 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.559 -9.145 -3.083 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.084 -6.682 -6.008 1.00 0.00 C ATOM 0 H ILE A 107 5.540 -5.699 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 107 5.371 -8.602 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 107 7.503 -6.954 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.961 -8.351 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.457 -8.719 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.642 -9.222 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.111 -9.103 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.178 -10.016 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.635 -6.881 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.090 -6.308 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.617 -5.935 -5.420 1.00 0.00 H new ATOM 1639 N VAL A 108 3.860 -8.587 -2.589 1.00 0.00 N ATOM 1640 CA VAL A 108 2.972 -8.623 -1.431 1.00 0.00 C ATOM 1641 C VAL A 108 3.007 -9.997 -0.764 1.00 0.00 C ATOM 1642 O VAL A 108 3.126 -11.008 -1.450 1.00 0.00 O ATOM 1643 CB VAL A 108 1.544 -8.210 -1.820 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.487 -6.713 -2.149 1.00 0.00 C ATOM 1645 CG2 VAL A 108 0.995 -9.017 -3.002 1.00 0.00 C ATOM 0 H VAL A 108 3.586 -9.224 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 108 3.329 -7.897 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 108 0.914 -8.423 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.468 -6.439 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.796 -6.137 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.156 -6.498 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.016 -8.682 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.634 -8.868 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.977 -10.076 -2.743 1.00 0.00 H new ATOM 1655 N ALA A 109 2.919 -10.039 0.567 1.00 0.00 N ATOM 1656 CA ALA A 109 2.928 -11.262 1.354 1.00 0.00 C ATOM 1657 C ALA A 109 1.506 -11.596 1.812 1.00 0.00 C ATOM 1658 O ALA A 109 0.808 -10.785 2.436 1.00 0.00 O ATOM 1659 CB ALA A 109 3.926 -11.148 2.509 1.00 0.00 C ATOM 0 H ALA A 109 2.837 -9.197 1.137 1.00 0.00 H new ATOM 0 HA ALA A 109 3.267 -12.097 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.920 -12.072 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.926 -10.976 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.644 -10.315 3.153 1.00 0.00 H new ATOM 1665 N CYS A 110 1.086 -12.813 1.465 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.194 -13.382 1.854 1.00 0.00 C ATOM 1667 C CYS A 110 -0.080 -13.957 3.261 1.00 0.00 C ATOM 1668 O CYS A 110 1.014 -14.051 3.816 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.638 -14.443 0.829 1.00 0.00 C ATOM 1670 SG CYS A 110 -1.918 -13.880 -0.321 1.00 0.00 S ATOM 0 H CYS A 110 1.646 -13.443 0.890 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.960 -12.607 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.232 -14.764 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.007 -15.317 1.365 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.226 -14.318 3.838 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.282 -15.107 5.060 1.00 0.00 C ATOM 1677 C GLY A 111 -0.820 -16.543 4.797 1.00 0.00 C ATOM 1678 O GLY A 111 0.252 -16.784 4.247 1.00 0.00 O ATOM 0 H GLY A 111 -2.143 -14.069 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.651 -14.651 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.300 -15.112 5.449 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.642 -17.508 5.204 1.00 0.00 N ATOM 1683 CA GLY A 112 -1.419 -18.922 4.916 1.00 0.00 C ATOM 1684 C GLY A 112 -1.605 -19.236 3.426 1.00 0.00 C ATOM 1685 O GLY A 112 -1.593 -18.341 2.583 1.00 0.00 O ATOM 0 H GLY A 112 -2.487 -17.329 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.411 -19.201 5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.110 -19.526 5.504 1.00 0.00 H new ATOM 1689 N LYS A 113 -1.818 -20.511 3.092 1.00 0.00 N ATOM 1690 CA LYS A 113 -2.154 -20.941 1.741 1.00 0.00 C ATOM 1691 C LYS A 113 -3.290 -21.969 1.830 1.00 0.00 C ATOM 1692 O LYS A 113 -3.075 -23.018 2.434 1.00 0.00 O ATOM 1693 CB LYS A 113 -0.923 -21.542 1.049 1.00 0.00 C ATOM 1694 CG LYS A 113 0.201 -20.507 0.892 1.00 0.00 C ATOM 1695 CD LYS A 113 1.394 -21.045 0.087 1.00 0.00 C ATOM 1696 CE LYS A 113 1.064 -21.394 -1.371 1.00 0.00 C ATOM 1697 NZ LYS A 113 0.448 -20.263 -2.088 1.00 0.00 N ATOM 0 H LYS A 113 -1.760 -21.278 3.762 1.00 0.00 H new ATOM 0 HA LYS A 113 -2.480 -20.088 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.558 -22.391 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -1.207 -21.923 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.194 -19.619 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.544 -20.197 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.191 -20.301 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.781 -21.935 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 113 1.976 -21.695 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 113 0.388 -22.249 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.367 -20.495 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.498 -20.079 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 1.040 -19.416 -1.974 1.00 0.00 H new ATOM 1711 N PRO A 114 -4.482 -21.711 1.262 1.00 0.00 N ATOM 1712 CA PRO A 114 -4.908 -20.455 0.657 1.00 0.00 C ATOM 1713 C PRO A 114 -5.025 -19.363 1.725 1.00 0.00 C ATOM 1714 O PRO A 114 -5.142 -19.662 2.911 1.00 0.00 O ATOM 1715 CB PRO A 114 -6.273 -20.752 0.030 1.00 0.00 C ATOM 1716 CG PRO A 114 -6.834 -21.855 0.928 1.00 0.00 C ATOM 1717 CD PRO A 114 -5.586 -22.657 1.300 1.00 0.00 C ATOM 0 HA PRO A 114 -4.195 -20.093 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.915 -19.871 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -6.178 -21.083 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.330 -21.447 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.568 -22.468 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.687 -23.101 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.424 -23.476 0.599 1.00 0.00 H new ATOM 1725 N SER A 115 -4.997 -18.096 1.303 1.00 0.00 N ATOM 1726 CA SER A 115 -5.189 -16.938 2.161 1.00 0.00 C ATOM 1727 C SER A 115 -5.288 -15.694 1.284 1.00 0.00 C ATOM 1728 O SER A 115 -5.526 -15.787 0.082 1.00 0.00 O ATOM 1729 CB SER A 115 -4.064 -16.808 3.197 1.00 0.00 C ATOM 1730 OG SER A 115 -4.415 -15.891 4.219 1.00 0.00 O ATOM 0 H SER A 115 -4.835 -17.847 0.327 1.00 0.00 H new ATOM 0 HA SER A 115 -6.113 -17.058 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.855 -17.784 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.149 -16.477 2.705 1.00 0.00 H new ATOM 0 HG SER A 115 -4.113 -16.235 5.085 1.00 0.00 H new ATOM 1736 N VAL A 116 -5.113 -14.545 1.926 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.327 -13.207 1.409 1.00 0.00 C ATOM 1738 C VAL A 116 -4.093 -12.351 1.734 1.00 0.00 C ATOM 1739 O VAL A 116 -3.311 -12.736 2.609 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.616 -12.646 2.047 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.851 -13.180 1.311 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -6.740 -12.989 3.541 1.00 0.00 C ATOM 0 H VAL A 116 -4.794 -14.528 2.895 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.455 -13.205 0.326 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.557 -11.561 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.752 -12.776 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.811 -12.876 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.869 -14.268 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.665 -12.569 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -6.751 -14.072 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.892 -12.570 4.082 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.898 -11.219 1.033 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.816 -10.274 1.281 1.00 0.00 C ATOM 1754 C PRO A 117 -2.946 -9.652 2.672 1.00 0.00 C ATOM 1755 O PRO A 117 -4.001 -9.111 3.000 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.929 -9.218 0.175 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.395 -9.285 -0.246 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.712 -10.767 -0.085 1.00 0.00 C ATOM 0 HA PRO A 117 -1.840 -10.759 1.261 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.663 -8.226 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.263 -9.440 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.028 -8.663 0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -4.539 -8.947 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.772 -10.922 0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.473 -11.320 -0.993 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.882 -9.728 3.482 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.850 -9.173 4.835 1.00 0.00 C ATOM 1768 C VAL A 118 -0.541 -8.474 5.208 1.00 0.00 C ATOM 1769 O VAL A 118 -0.532 -7.684 6.151 1.00 0.00 O ATOM 1770 CB VAL A 118 -2.433 -10.132 5.911 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -2.926 -11.472 5.352 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.410 -10.520 6.990 1.00 0.00 C ATOM 0 H VAL A 118 -1.010 -10.183 3.210 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.556 -8.343 4.818 1.00 0.00 H new ATOM 0 HB VAL A 118 -3.258 -9.547 6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -3.317 -12.083 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.714 -11.293 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.097 -11.993 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.878 -11.190 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.563 -11.023 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.063 -9.622 7.502 1.00 0.00 H new ATOM 1782 N HIS A 119 0.554 -8.731 4.488 1.00 0.00 N ATOM 1783 CA HIS A 119 1.830 -8.085 4.751 1.00 0.00 C ATOM 1784 C HIS A 119 2.341 -7.438 3.467 1.00 0.00 C ATOM 1785 O HIS A 119 2.298 -8.050 2.402 1.00 0.00 O ATOM 1786 CB HIS A 119 2.818 -9.117 5.300 1.00 0.00 C ATOM 1787 CG HIS A 119 2.461 -9.656 6.660 1.00 0.00 C ATOM 1788 ND1 HIS A 119 2.128 -10.968 6.944 1.00 0.00 N ATOM 1789 CD2 HIS A 119 2.458 -8.951 7.830 1.00 0.00 C ATOM 1790 CE1 HIS A 119 1.919 -11.055 8.270 1.00 0.00 C ATOM 1791 NE2 HIS A 119 2.114 -9.844 8.827 1.00 0.00 N ATOM 0 H HIS A 119 0.575 -9.391 3.711 1.00 0.00 H new ATOM 0 HA HIS A 119 1.714 -7.301 5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.884 -9.949 4.598 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.808 -8.664 5.350 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.681 -7.901 7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 119 1.640 -11.952 8.803 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.023 -9.623 9.819 1.00 0.00 H new ATOM 1800 N PHE A 120 2.823 -6.196 3.557 1.00 0.00 N ATOM 1801 CA PHE A 120 3.455 -5.514 2.440 1.00 0.00 C ATOM 1802 C PHE A 120 4.950 -5.791 2.532 1.00 0.00 C ATOM 1803 O PHE A 120 5.602 -5.283 3.440 1.00 0.00 O ATOM 1804 CB PHE A 120 3.173 -4.005 2.495 1.00 0.00 C ATOM 1805 CG PHE A 120 3.859 -3.180 1.418 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.980 -3.665 0.100 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.337 -1.891 1.727 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.560 -2.864 -0.895 1.00 0.00 C ATOM 1809 CE2 PHE A 120 4.943 -1.102 0.734 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.056 -1.589 -0.578 1.00 0.00 C ATOM 0 H PHE A 120 2.783 -5.639 4.411 1.00 0.00 H new ATOM 0 HA PHE A 120 3.057 -5.877 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.097 -3.849 2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.482 -3.629 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.625 -4.655 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.237 -1.507 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.625 -3.229 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 120 5.322 -0.121 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.523 -0.985 -1.341 1.00 0.00 H new ATOM 1820 N ASP A 121 5.480 -6.615 1.625 1.00 0.00 N ATOM 1821 CA ASP A 121 6.913 -6.858 1.572 1.00 0.00 C ATOM 1822 C ASP A 121 7.615 -5.654 0.945 1.00 0.00 C ATOM 1823 O ASP A 121 8.406 -4.998 1.617 1.00 0.00 O ATOM 1824 CB ASP A 121 7.216 -8.158 0.824 1.00 0.00 C ATOM 1825 CG ASP A 121 8.718 -8.395 0.712 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.298 -8.841 1.725 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.260 -8.123 -0.381 1.00 0.00 O ATOM 0 H ASP A 121 4.938 -7.120 0.924 1.00 0.00 H new ATOM 0 HA ASP A 121 7.298 -6.982 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.751 -8.996 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.777 -8.118 -0.173 1.00 0.00 H new ATOM 1832 N ALA A 122 7.346 -5.367 -0.335 1.00 0.00 N ATOM 1833 CA ALA A 122 8.019 -4.274 -1.033 1.00 0.00 C ATOM 1834 C ALA A 122 7.359 -3.978 -2.380 1.00 0.00 C ATOM 1835 O ALA A 122 6.462 -4.698 -2.809 1.00 0.00 O ATOM 1836 CB ALA A 122 9.496 -4.638 -1.259 1.00 0.00 C ATOM 0 H ALA A 122 6.669 -5.877 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 122 7.942 -3.381 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.996 -3.822 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.981 -4.806 -0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.559 -5.545 -1.860 1.00 0.00 H new ATOM 1842 N SER A 123 7.835 -2.935 -3.063 1.00 0.00 N ATOM 1843 CA SER A 123 7.548 -2.655 -4.461 1.00 0.00 C ATOM 1844 C SER A 123 8.847 -2.155 -5.076 1.00 0.00 C ATOM 1845 O SER A 123 9.682 -1.613 -4.353 1.00 0.00 O ATOM 1846 CB SER A 123 6.456 -1.599 -4.626 1.00 0.00 C ATOM 1847 OG SER A 123 5.293 -1.937 -3.899 1.00 0.00 O ATOM 0 H SER A 123 8.451 -2.242 -2.639 1.00 0.00 H new ATOM 0 HA SER A 123 7.181 -3.557 -4.951 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.829 -0.632 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.208 -1.493 -5.682 1.00 0.00 H new ATOM 0 HG SER A 123 5.475 -1.866 -2.939 1.00 0.00 H new ATOM 1853 N VAL A 124 9.021 -2.332 -6.385 1.00 0.00 N ATOM 1854 CA VAL A 124 10.253 -1.956 -7.072 1.00 0.00 C ATOM 1855 C VAL A 124 10.003 -1.860 -8.580 1.00 0.00 C ATOM 1856 O VAL A 124 10.827 -1.210 -9.259 1.00 0.00 O ATOM 1857 CB VAL A 124 11.389 -2.931 -6.691 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.070 -4.382 -7.065 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.740 -2.525 -7.295 1.00 0.00 C ATOM 1860 OXT VAL A 124 8.976 -2.414 -9.029 1.00 0.00 O ATOM 0 H VAL A 124 8.313 -2.739 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 124 10.579 -0.966 -6.752 1.00 0.00 H new ATOM 0 HB VAL A 124 11.467 -2.868 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.902 -5.024 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.167 -4.702 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.914 -4.454 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 124 13.503 -3.244 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.663 -2.509 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.015 -1.533 -6.937 1.00 0.00 H new