USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 50:sc= -0.295 USER MOD Set 1.2: A 113 LYS NZ :NH3+ 142:sc= 0.747 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -171:sc= -5.57! USER MOD Set 2.2: A 106 GLN : amide:sc= -1.84! C(o=-7.4!,f=-8.4!) USER MOD Set 3.1: A 27 THR OG1 : rot -170:sc= -1.71 USER MOD Set 3.2: A 88 ASN : amide:sc= -2.08! X(o=-3.8!,f=-3.7) USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.017 (180deg=-0.216) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.58 K(o=-2.6,f=-9.5!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0461 K(o=-0.046,f=-1.2) USER MOD Single : A 41 SER OG : rot 79:sc= 0.141 USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= 1.22 (180deg=0.0406) USER MOD Single : A 48 CYS SG : rot -47:sc= -9.41! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -0.154 (180deg=-0.598) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -3.49! (180deg=-3.5!) USER MOD Single : A 66 THR OG1 : rot -41:sc= 0.792 USER MOD Single : A 71 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.2) USER MOD Single : A 72 CYS SG : rot 26:sc= -2.68! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.45! K(o=-4.4!,f=-2.3) USER MOD Single : A 86 HIS : no HD1:sc= -2.35! K(o=-2.4!,f=-1.1) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.108 USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00298) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 116:sc= 0.314 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.5!) USER MOD Single : A 111 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.6!) USER MOD Single : A 114 SER OG : rot 79:sc= 0.0245 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.859 3.991 -5.611 1.00 0.00 N ATOM 71 CA THR A 27 -18.565 3.905 -6.261 1.00 0.00 C ATOM 72 C THR A 27 -17.656 5.023 -5.752 1.00 0.00 C ATOM 73 O THR A 27 -16.434 4.888 -5.739 1.00 0.00 O ATOM 74 CB THR A 27 -18.738 3.969 -7.784 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.511 2.697 -8.365 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.813 4.950 -8.466 1.00 0.00 C ATOM 0 HA THR A 27 -18.096 2.952 -6.019 1.00 0.00 H new ATOM 0 HB THR A 27 -19.764 4.305 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.469 2.786 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.997 4.937 -9.540 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.996 5.952 -8.079 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.778 4.670 -8.271 1.00 0.00 H new ATOM 84 N LYS A 28 -18.267 6.121 -5.313 1.00 0.00 N ATOM 85 CA LYS A 28 -17.514 7.247 -4.781 1.00 0.00 C ATOM 86 C LYS A 28 -16.787 6.818 -3.514 1.00 0.00 C ATOM 87 O LYS A 28 -15.624 7.161 -3.300 1.00 0.00 O ATOM 88 CB LYS A 28 -18.448 8.422 -4.479 1.00 0.00 C ATOM 89 CG LYS A 28 -17.723 9.744 -4.293 1.00 0.00 C ATOM 90 CD LYS A 28 -17.208 9.903 -2.871 1.00 0.00 C ATOM 91 CE LYS A 28 -16.589 11.274 -2.653 1.00 0.00 C ATOM 92 NZ LYS A 28 -17.600 12.363 -2.757 1.00 0.00 N ATOM 0 H LYS A 28 -19.279 6.252 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.786 7.570 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.166 8.523 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.018 8.200 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.889 9.804 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.398 10.567 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.028 9.757 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.467 9.131 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.119 11.308 -1.670 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.802 11.438 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.207 13.240 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.845 12.515 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.454 12.095 -2.228 1.00 0.00 H new ATOM 106 N GLU A 29 -17.483 6.043 -2.685 1.00 0.00 N ATOM 107 CA GLU A 29 -16.912 5.539 -1.445 1.00 0.00 C ATOM 108 C GLU A 29 -15.686 4.686 -1.745 1.00 0.00 C ATOM 109 O GLU A 29 -14.722 4.668 -0.982 1.00 0.00 O ATOM 110 CB GLU A 29 -17.949 4.718 -0.678 1.00 0.00 C ATOM 111 CG GLU A 29 -18.712 5.521 0.363 1.00 0.00 C ATOM 112 CD GLU A 29 -19.699 4.675 1.143 1.00 0.00 C ATOM 113 OE1 GLU A 29 -20.555 4.024 0.508 1.00 0.00 O ATOM 114 OE2 GLU A 29 -19.615 4.664 2.389 1.00 0.00 O ATOM 0 H GLU A 29 -18.446 5.752 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.612 6.386 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.658 4.291 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.448 3.884 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.004 5.978 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.246 6.334 -0.130 1.00 0.00 H new ATOM 121 N LEU A 30 -15.730 3.985 -2.873 1.00 0.00 N ATOM 122 CA LEU A 30 -14.621 3.138 -3.286 1.00 0.00 C ATOM 123 C LEU A 30 -13.372 3.981 -3.525 1.00 0.00 C ATOM 124 O LEU A 30 -12.294 3.669 -3.020 1.00 0.00 O ATOM 125 CB LEU A 30 -14.999 2.353 -4.546 1.00 0.00 C ATOM 126 CG LEU A 30 -13.831 1.885 -5.418 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.990 0.857 -4.677 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.349 1.314 -6.731 1.00 0.00 C ATOM 0 H LEU A 30 -16.522 3.988 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.403 2.426 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.576 1.478 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.655 2.975 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.197 2.743 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.165 0.536 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.594 1.301 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.608 -0.004 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.508 0.985 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.003 0.466 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.908 2.082 -7.266 1.00 0.00 H new ATOM 140 N SER A 31 -13.529 5.060 -4.288 1.00 0.00 N ATOM 141 CA SER A 31 -12.416 5.957 -4.579 1.00 0.00 C ATOM 142 C SER A 31 -11.795 6.468 -3.283 1.00 0.00 C ATOM 143 O SER A 31 -10.615 6.809 -3.244 1.00 0.00 O ATOM 144 CB SER A 31 -12.887 7.134 -5.435 1.00 0.00 C ATOM 145 OG SER A 31 -11.799 7.749 -6.102 1.00 0.00 O ATOM 0 H SER A 31 -14.414 5.333 -4.715 1.00 0.00 H new ATOM 0 HA SER A 31 -11.662 5.401 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.616 6.786 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.392 7.866 -4.805 1.00 0.00 H new ATOM 0 HG SER A 31 -12.128 8.497 -6.643 1.00 0.00 H new ATOM 151 N ASN A 32 -12.594 6.505 -2.217 1.00 0.00 N ATOM 152 CA ASN A 32 -12.101 6.955 -0.922 1.00 0.00 C ATOM 153 C ASN A 32 -11.126 5.928 -0.364 1.00 0.00 C ATOM 154 O ASN A 32 -10.115 6.280 0.245 1.00 0.00 O ATOM 155 CB ASN A 32 -13.257 7.179 0.056 1.00 0.00 C ATOM 156 CG ASN A 32 -14.171 8.308 -0.381 1.00 0.00 C ATOM 157 OD1 ASN A 32 -15.189 8.081 -1.034 1.00 0.00 O ATOM 158 ND2 ASN A 32 -13.811 9.534 -0.022 1.00 0.00 N ATOM 0 H ASN A 32 -13.576 6.231 -2.227 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.586 7.907 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.836 6.260 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.856 7.402 1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.387 10.333 -0.288 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.959 9.677 0.520 1.00 0.00 H new ATOM 165 N LEU A 33 -11.423 4.653 -0.606 1.00 0.00 N ATOM 166 CA LEU A 33 -10.554 3.573 -0.159 1.00 0.00 C ATOM 167 C LEU A 33 -9.318 3.538 -1.042 1.00 0.00 C ATOM 168 O LEU A 33 -8.192 3.427 -0.560 1.00 0.00 O ATOM 169 CB LEU A 33 -11.276 2.223 -0.220 1.00 0.00 C ATOM 170 CG LEU A 33 -12.776 2.262 0.081 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.450 0.999 -0.431 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.016 2.433 1.573 1.00 0.00 C ATOM 0 H LEU A 33 -12.256 4.346 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.270 3.755 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.134 1.800 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.799 1.544 0.487 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.212 3.118 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.517 1.041 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.306 0.921 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.012 0.129 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.088 2.459 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.569 1.597 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.563 3.366 1.910 1.00 0.00 H new ATOM 184 N ILE A 34 -9.545 3.662 -2.344 1.00 0.00 N ATOM 185 CA ILE A 34 -8.465 3.677 -3.315 1.00 0.00 C ATOM 186 C ILE A 34 -7.588 4.902 -3.086 1.00 0.00 C ATOM 187 O ILE A 34 -6.361 4.811 -3.086 1.00 0.00 O ATOM 188 CB ILE A 34 -9.024 3.693 -4.754 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.589 2.321 -5.115 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.961 4.112 -5.761 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.242 2.275 -6.477 1.00 0.00 C ATOM 0 H ILE A 34 -10.476 3.754 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.869 2.773 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.826 4.430 -4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.785 1.586 -5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.320 2.028 -4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.389 4.112 -6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.605 5.113 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.127 3.411 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.620 1.270 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.068 2.985 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.509 2.536 -7.241 1.00 0.00 H new ATOM 203 N GLU A 35 -8.232 6.046 -2.879 1.00 0.00 N ATOM 204 CA GLU A 35 -7.517 7.290 -2.635 1.00 0.00 C ATOM 205 C GLU A 35 -6.533 7.108 -1.489 1.00 0.00 C ATOM 206 O GLU A 35 -5.438 7.674 -1.496 1.00 0.00 O ATOM 207 CB GLU A 35 -8.499 8.418 -2.311 1.00 0.00 C ATOM 208 CG GLU A 35 -8.980 9.178 -3.536 1.00 0.00 C ATOM 209 CD GLU A 35 -8.014 10.266 -3.964 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.373 10.872 -3.080 1.00 0.00 O ATOM 211 OE2 GLU A 35 -7.899 10.512 -5.183 1.00 0.00 O ATOM 0 H GLU A 35 -9.248 6.136 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.967 7.558 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.361 8.000 -1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.022 9.117 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.122 8.479 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.952 9.623 -3.324 1.00 0.00 H new ATOM 218 N THR A 36 -6.919 6.287 -0.516 1.00 0.00 N ATOM 219 CA THR A 36 -6.058 6.006 0.618 1.00 0.00 C ATOM 220 C THR A 36 -5.002 4.996 0.199 1.00 0.00 C ATOM 221 O THR A 36 -3.830 5.124 0.545 1.00 0.00 O ATOM 222 CB THR A 36 -6.880 5.495 1.813 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.503 6.169 3.000 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.742 4.007 2.073 1.00 0.00 C ATOM 0 H THR A 36 -7.820 5.809 -0.494 1.00 0.00 H new ATOM 0 HA THR A 36 -5.563 6.923 0.938 1.00 0.00 H new ATOM 0 HB THR A 36 -7.917 5.696 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.037 5.833 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.353 3.729 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.075 3.452 1.196 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.698 3.769 2.278 1.00 0.00 H new ATOM 232 N PHE A 37 -5.428 4.002 -0.578 1.00 0.00 N ATOM 233 CA PHE A 37 -4.515 2.984 -1.072 1.00 0.00 C ATOM 234 C PHE A 37 -3.416 3.639 -1.891 1.00 0.00 C ATOM 235 O PHE A 37 -2.248 3.274 -1.787 1.00 0.00 O ATOM 236 CB PHE A 37 -5.259 1.954 -1.923 1.00 0.00 C ATOM 237 CG PHE A 37 -4.524 0.649 -2.085 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.606 0.211 -1.135 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.749 -0.137 -3.201 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.933 -0.985 -1.305 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.076 -1.330 -3.374 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.168 -1.754 -2.425 1.00 0.00 C ATOM 0 H PHE A 37 -6.396 3.884 -0.876 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.074 2.468 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.231 1.758 -1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.446 2.379 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.418 0.811 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.460 0.187 -3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.224 -1.316 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.260 -1.931 -4.252 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.642 -2.688 -2.560 1.00 0.00 H new ATOM 252 N ALA A 38 -3.800 4.628 -2.693 1.00 0.00 N ATOM 253 CA ALA A 38 -2.842 5.357 -3.510 1.00 0.00 C ATOM 254 C ALA A 38 -1.813 6.032 -2.614 1.00 0.00 C ATOM 255 O ALA A 38 -0.624 6.071 -2.929 1.00 0.00 O ATOM 256 CB ALA A 38 -3.555 6.384 -4.377 1.00 0.00 C ATOM 0 H ALA A 38 -4.766 4.941 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.330 4.656 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.824 6.920 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.265 5.878 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.088 7.091 -3.740 1.00 0.00 H new ATOM 262 N GLU A 39 -2.284 6.541 -1.477 1.00 0.00 N ATOM 263 CA GLU A 39 -1.411 7.191 -0.511 1.00 0.00 C ATOM 264 C GLU A 39 -0.577 6.133 0.207 1.00 0.00 C ATOM 265 O GLU A 39 0.636 6.277 0.359 1.00 0.00 O ATOM 266 CB GLU A 39 -2.248 8.014 0.483 1.00 0.00 C ATOM 267 CG GLU A 39 -1.810 7.893 1.936 1.00 0.00 C ATOM 268 CD GLU A 39 -2.290 9.051 2.789 1.00 0.00 C ATOM 269 OE1 GLU A 39 -2.184 10.208 2.331 1.00 0.00 O ATOM 270 OE2 GLU A 39 -2.771 8.801 3.914 1.00 0.00 O ATOM 0 H GLU A 39 -3.267 6.514 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.735 7.875 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.206 9.063 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.290 7.703 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.191 6.959 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.722 7.841 1.980 1.00 0.00 H new ATOM 277 N GLN A 40 -1.242 5.060 0.626 1.00 0.00 N ATOM 278 CA GLN A 40 -0.576 3.961 1.305 1.00 0.00 C ATOM 279 C GLN A 40 0.438 3.314 0.369 1.00 0.00 C ATOM 280 O GLN A 40 1.520 2.908 0.791 1.00 0.00 O ATOM 281 CB GLN A 40 -1.599 2.923 1.768 1.00 0.00 C ATOM 282 CG GLN A 40 -2.704 3.500 2.638 1.00 0.00 C ATOM 283 CD GLN A 40 -2.349 3.492 4.110 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.198 3.269 4.483 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.342 3.736 4.954 1.00 0.00 N ATOM 0 H GLN A 40 -2.247 4.931 0.505 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.057 4.351 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.046 2.451 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.083 2.140 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.912 4.523 2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.619 2.927 2.485 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.281 3.916 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.167 3.744 5.959 1.00 0.00 H new ATOM 294 N SER A 41 0.081 3.238 -0.912 1.00 0.00 N ATOM 295 CA SER A 41 0.961 2.662 -1.919 1.00 0.00 C ATOM 296 C SER A 41 2.228 3.496 -2.018 1.00 0.00 C ATOM 297 O SER A 41 3.334 2.965 -2.103 1.00 0.00 O ATOM 298 CB SER A 41 0.259 2.603 -3.277 1.00 0.00 C ATOM 299 OG SER A 41 -0.551 1.445 -3.382 1.00 0.00 O ATOM 0 H SER A 41 -0.813 3.569 -1.274 1.00 0.00 H new ATOM 0 HA SER A 41 1.219 1.644 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.355 3.494 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.002 2.605 -4.074 1.00 0.00 H new ATOM 0 HG SER A 41 -1.390 1.588 -2.897 1.00 0.00 H new ATOM 305 N ARG A 42 2.054 4.811 -1.966 1.00 0.00 N ATOM 306 CA ARG A 42 3.174 5.729 -2.007 1.00 0.00 C ATOM 307 C ARG A 42 3.936 5.599 -0.702 1.00 0.00 C ATOM 308 O ARG A 42 5.165 5.564 -0.670 1.00 0.00 O ATOM 309 CB ARG A 42 2.656 7.160 -2.194 1.00 0.00 C ATOM 310 CG ARG A 42 2.916 8.083 -1.015 1.00 0.00 C ATOM 311 CD ARG A 42 2.528 9.519 -1.332 1.00 0.00 C ATOM 312 NE ARG A 42 3.678 10.314 -1.758 1.00 0.00 N ATOM 313 CZ ARG A 42 4.718 10.593 -0.975 1.00 0.00 C ATOM 314 NH1 ARG A 42 4.755 10.148 0.275 1.00 0.00 N ATOM 315 NH2 ARG A 42 5.724 11.320 -1.443 1.00 0.00 N ATOM 0 H ARG A 42 1.142 5.262 -1.895 1.00 0.00 H new ATOM 0 HA ARG A 42 3.836 5.496 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.120 7.587 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.583 7.123 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.352 7.736 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.971 8.042 -0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.772 9.526 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.077 9.976 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 42 3.684 10.676 -2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.984 9.589 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.554 10.365 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.701 11.665 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.521 11.534 -0.843 1.00 0.00 H new ATOM 329 N VAL A 43 3.165 5.508 0.371 1.00 0.00 N ATOM 330 CA VAL A 43 3.711 5.356 1.705 1.00 0.00 C ATOM 331 C VAL A 43 4.596 4.122 1.769 1.00 0.00 C ATOM 332 O VAL A 43 5.753 4.198 2.169 1.00 0.00 O ATOM 333 CB VAL A 43 2.579 5.252 2.746 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.027 4.499 3.986 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.083 6.636 3.111 1.00 0.00 C ATOM 0 H VAL A 43 2.146 5.538 0.339 1.00 0.00 H new ATOM 0 HA VAL A 43 4.312 6.236 1.936 1.00 0.00 H new ATOM 0 HB VAL A 43 1.761 4.686 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.203 4.446 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.332 3.490 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.868 5.020 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.283 6.554 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.904 7.218 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.705 7.134 2.218 1.00 0.00 H new ATOM 345 N LEU A 44 4.057 2.984 1.348 1.00 0.00 N ATOM 346 CA LEU A 44 4.833 1.753 1.344 1.00 0.00 C ATOM 347 C LEU A 44 6.155 2.009 0.635 1.00 0.00 C ATOM 348 O LEU A 44 7.218 1.693 1.155 1.00 0.00 O ATOM 349 CB LEU A 44 4.055 0.621 0.655 1.00 0.00 C ATOM 350 CG LEU A 44 4.054 -0.747 1.367 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.195 -1.621 0.868 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.132 -0.597 2.881 1.00 0.00 C ATOM 0 H LEU A 44 3.099 2.889 1.010 1.00 0.00 H new ATOM 0 HA LEU A 44 5.025 1.441 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.021 0.943 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.466 0.484 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 44 3.108 -1.232 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.172 -2.580 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.086 -1.785 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.146 -1.125 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.129 -1.583 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.050 -0.073 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.273 -0.027 3.235 1.00 0.00 H new ATOM 364 N GLU A 45 6.078 2.625 -0.540 1.00 0.00 N ATOM 365 CA GLU A 45 7.275 2.956 -1.300 1.00 0.00 C ATOM 366 C GLU A 45 8.123 3.967 -0.530 1.00 0.00 C ATOM 367 O GLU A 45 9.351 3.968 -0.627 1.00 0.00 O ATOM 368 CB GLU A 45 6.896 3.486 -2.697 1.00 0.00 C ATOM 369 CG GLU A 45 6.783 5.004 -2.811 1.00 0.00 C ATOM 370 CD GLU A 45 7.382 5.533 -4.100 1.00 0.00 C ATOM 371 OE1 GLU A 45 6.897 5.143 -5.184 1.00 0.00 O ATOM 372 OE2 GLU A 45 8.335 6.336 -4.027 1.00 0.00 O ATOM 0 H GLU A 45 5.203 2.904 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 45 7.870 2.053 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.641 3.139 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.943 3.044 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.733 5.293 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.286 5.468 -1.963 1.00 0.00 H new ATOM 379 N LYS A 46 7.454 4.823 0.241 1.00 0.00 N ATOM 380 CA LYS A 46 8.139 5.836 1.036 1.00 0.00 C ATOM 381 C LYS A 46 8.880 5.184 2.197 1.00 0.00 C ATOM 382 O LYS A 46 10.068 5.423 2.401 1.00 0.00 O ATOM 383 CB LYS A 46 7.140 6.895 1.535 1.00 0.00 C ATOM 384 CG LYS A 46 6.729 6.759 2.999 1.00 0.00 C ATOM 385 CD LYS A 46 5.780 7.866 3.424 1.00 0.00 C ATOM 386 CE LYS A 46 5.190 7.590 4.797 1.00 0.00 C ATOM 387 NZ LYS A 46 6.023 8.169 5.887 1.00 0.00 N ATOM 0 H LYS A 46 6.438 4.834 0.331 1.00 0.00 H new ATOM 0 HA LYS A 46 8.873 6.340 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.577 7.883 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.244 6.847 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.251 5.792 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.618 6.780 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.311 8.818 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.977 7.960 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.184 8.006 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.099 6.514 4.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.345 7.409 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.848 8.650 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.458 8.854 6.429 1.00 0.00 H new ATOM 401 N GLU A 47 8.178 4.341 2.942 1.00 0.00 N ATOM 402 CA GLU A 47 8.786 3.639 4.058 1.00 0.00 C ATOM 403 C GLU A 47 9.759 2.599 3.529 1.00 0.00 C ATOM 404 O GLU A 47 10.807 2.351 4.123 1.00 0.00 O ATOM 405 CB GLU A 47 7.716 2.971 4.923 1.00 0.00 C ATOM 406 CG GLU A 47 6.917 3.945 5.774 1.00 0.00 C ATOM 407 CD GLU A 47 7.792 4.947 6.504 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.930 4.585 6.869 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.339 6.092 6.709 1.00 0.00 O ATOM 0 H GLU A 47 7.192 4.129 2.793 1.00 0.00 H new ATOM 0 HA GLU A 47 9.324 4.356 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.031 2.421 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.194 2.241 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.212 4.481 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.329 3.386 6.502 1.00 0.00 H new ATOM 416 N CYS A 48 9.406 2.008 2.390 1.00 0.00 N ATOM 417 CA CYS A 48 10.246 1.006 1.755 1.00 0.00 C ATOM 418 C CYS A 48 11.571 1.624 1.332 1.00 0.00 C ATOM 419 O CYS A 48 12.622 0.993 1.447 1.00 0.00 O ATOM 420 CB CYS A 48 9.536 0.401 0.542 1.00 0.00 C ATOM 421 SG CYS A 48 8.248 -0.798 0.964 1.00 0.00 S ATOM 0 H CYS A 48 8.540 2.209 1.890 1.00 0.00 H new ATOM 0 HA CYS A 48 10.441 0.211 2.475 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.091 1.205 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.276 -0.085 -0.094 1.00 0.00 H new ATOM 0 HG CYS A 48 8.704 -1.630 1.853 1.00 0.00 H new ATOM 427 N THR A 49 11.523 2.870 0.860 1.00 0.00 N ATOM 428 CA THR A 49 12.739 3.558 0.450 1.00 0.00 C ATOM 429 C THR A 49 13.610 3.835 1.672 1.00 0.00 C ATOM 430 O THR A 49 14.834 3.918 1.574 1.00 0.00 O ATOM 431 CB THR A 49 12.410 4.858 -0.299 1.00 0.00 C ATOM 432 OG1 THR A 49 13.539 5.316 -1.021 1.00 0.00 O ATOM 433 CG2 THR A 49 11.953 5.994 0.595 1.00 0.00 C ATOM 0 H THR A 49 10.667 3.414 0.754 1.00 0.00 H new ATOM 0 HA THR A 49 13.292 2.917 -0.237 1.00 0.00 H new ATOM 0 HB THR A 49 11.584 4.595 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.311 6.144 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.742 6.873 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.050 5.696 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.738 6.230 1.313 1.00 0.00 H new ATOM 441 N LYS A 50 12.960 3.959 2.828 1.00 0.00 N ATOM 442 CA LYS A 50 13.656 4.207 4.081 1.00 0.00 C ATOM 443 C LYS A 50 14.287 2.921 4.607 1.00 0.00 C ATOM 444 O LYS A 50 15.290 2.957 5.319 1.00 0.00 O ATOM 445 CB LYS A 50 12.682 4.775 5.115 1.00 0.00 C ATOM 446 CG LYS A 50 12.289 6.216 4.841 1.00 0.00 C ATOM 447 CD LYS A 50 10.844 6.485 5.220 1.00 0.00 C ATOM 448 CE LYS A 50 10.494 7.955 5.068 1.00 0.00 C ATOM 449 NZ LYS A 50 11.387 8.826 5.881 1.00 0.00 N ATOM 0 H LYS A 50 11.946 3.891 2.918 1.00 0.00 H new ATOM 0 HA LYS A 50 14.449 4.933 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.784 4.158 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.135 4.711 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.943 6.884 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.436 6.439 3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.184 5.886 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.673 6.174 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.568 8.239 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.459 8.115 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.932 9.750 6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.564 8.378 6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.289 8.960 5.382 1.00 0.00 H new ATOM 463 N ILE A 51 13.692 1.784 4.249 1.00 0.00 N ATOM 464 CA ILE A 51 14.196 0.485 4.680 1.00 0.00 C ATOM 465 C ILE A 51 15.681 0.345 4.364 1.00 0.00 C ATOM 466 O ILE A 51 16.113 0.579 3.236 1.00 0.00 O ATOM 467 CB ILE A 51 13.416 -0.669 4.011 1.00 0.00 C ATOM 468 CG1 ILE A 51 11.949 -0.626 4.445 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.042 -2.020 4.349 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.735 -0.991 5.896 1.00 0.00 C ATOM 0 H ILE A 51 12.860 1.738 3.661 1.00 0.00 H new ATOM 0 HA ILE A 51 14.053 0.425 5.759 1.00 0.00 H new ATOM 0 HB ILE A 51 13.466 -0.542 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.556 0.376 4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.374 -1.308 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.474 -2.815 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.072 -2.043 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.027 -2.168 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.672 -0.939 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.097 -2.004 6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.282 -0.294 6.531 1.00 0.00 H new ATOM 606 N LEU A 60 10.035 1.128 11.974 1.00 0.00 N ATOM 607 CA LEU A 60 9.616 1.317 10.593 1.00 0.00 C ATOM 608 C LEU A 60 9.115 -0.003 10.014 1.00 0.00 C ATOM 609 O LEU A 60 7.964 -0.103 9.591 1.00 0.00 O ATOM 610 CB LEU A 60 10.772 1.887 9.753 1.00 0.00 C ATOM 611 CG LEU A 60 10.918 1.320 8.335 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.618 1.468 7.558 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.058 2.011 7.603 1.00 0.00 C ATOM 0 HA LEU A 60 8.797 2.036 10.566 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.643 2.967 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.705 1.713 10.290 1.00 0.00 H new ATOM 0 HG LEU A 60 11.149 0.258 8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.745 1.059 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.823 0.928 8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.354 2.523 7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.149 1.598 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.854 3.080 7.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.989 1.851 8.147 1.00 0.00 H new ATOM 625 N ARG A 61 9.979 -1.016 10.000 1.00 0.00 N ATOM 626 CA ARG A 61 9.595 -2.321 9.471 1.00 0.00 C ATOM 627 C ARG A 61 8.389 -2.862 10.229 1.00 0.00 C ATOM 628 O ARG A 61 7.540 -3.542 9.653 1.00 0.00 O ATOM 629 CB ARG A 61 10.756 -3.319 9.533 1.00 0.00 C ATOM 630 CG ARG A 61 11.652 -3.153 10.747 1.00 0.00 C ATOM 631 CD ARG A 61 12.971 -2.490 10.383 1.00 0.00 C ATOM 632 NE ARG A 61 13.603 -3.106 9.220 1.00 0.00 N ATOM 633 CZ ARG A 61 14.097 -4.344 9.205 1.00 0.00 C ATOM 634 NH1 ARG A 61 14.014 -5.117 10.280 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.679 -4.809 8.109 1.00 0.00 N ATOM 0 H ARG A 61 10.937 -0.960 10.344 1.00 0.00 H new ATOM 0 HA ARG A 61 9.328 -2.190 8.422 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.352 -4.331 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.360 -3.214 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.139 -2.554 11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.845 -4.128 11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.799 -1.433 10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.650 -2.547 11.234 1.00 0.00 H new ATOM 0 HE ARG A 61 13.671 -2.554 8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.569 -4.765 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.395 -6.063 10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.748 -4.220 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.058 -5.756 8.095 1.00 0.00 H new ATOM 649 N TYR A 62 8.300 -2.534 11.517 1.00 0.00 N ATOM 650 CA TYR A 62 7.171 -2.971 12.325 1.00 0.00 C ATOM 651 C TYR A 62 5.934 -2.197 11.909 1.00 0.00 C ATOM 652 O TYR A 62 4.908 -2.778 11.574 1.00 0.00 O ATOM 653 CB TYR A 62 7.453 -2.765 13.815 1.00 0.00 C ATOM 654 CG TYR A 62 7.761 -4.046 14.556 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.740 -4.837 15.067 1.00 0.00 C ATOM 656 CD2 TYR A 62 9.072 -4.465 14.745 1.00 0.00 C ATOM 657 CE1 TYR A 62 7.016 -6.009 15.745 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.357 -5.636 15.421 1.00 0.00 C ATOM 659 CZ TYR A 62 8.326 -6.404 15.919 1.00 0.00 C ATOM 660 OH TYR A 62 8.605 -7.570 16.594 1.00 0.00 O ATOM 0 H TYR A 62 8.990 -1.973 12.016 1.00 0.00 H new ATOM 0 HA TYR A 62 7.008 -4.036 12.162 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.294 -2.080 13.926 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.589 -2.287 14.277 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.713 -4.531 14.932 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.882 -3.865 14.357 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.210 -6.612 16.137 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.382 -5.948 15.558 1.00 0.00 H new ATOM 0 HH TYR A 62 9.575 -7.704 16.628 1.00 0.00 H new ATOM 670 N LYS A 63 6.052 -0.875 11.901 1.00 0.00 N ATOM 671 CA LYS A 63 4.953 -0.014 11.493 1.00 0.00 C ATOM 672 C LYS A 63 4.516 -0.377 10.076 1.00 0.00 C ATOM 673 O LYS A 63 3.337 -0.304 9.733 1.00 0.00 O ATOM 674 CB LYS A 63 5.393 1.454 11.566 1.00 0.00 C ATOM 675 CG LYS A 63 4.467 2.426 10.848 1.00 0.00 C ATOM 676 CD LYS A 63 5.242 3.589 10.249 1.00 0.00 C ATOM 677 CE LYS A 63 5.403 3.436 8.744 1.00 0.00 C ATOM 678 NZ LYS A 63 4.485 4.339 7.996 1.00 0.00 N ATOM 0 H LYS A 63 6.899 -0.377 12.173 1.00 0.00 H new ATOM 0 HA LYS A 63 4.107 -0.156 12.165 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.465 1.747 12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.393 1.542 11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.927 1.902 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.722 2.805 11.547 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.725 4.523 10.467 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.225 3.652 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.434 3.653 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.207 2.402 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.636 4.218 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.499 4.104 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.678 5.326 8.260 1.00 0.00 H new ATOM 692 N ILE A 64 5.483 -0.768 9.259 1.00 0.00 N ATOM 693 CA ILE A 64 5.223 -1.143 7.883 1.00 0.00 C ATOM 694 C ILE A 64 4.376 -2.417 7.793 1.00 0.00 C ATOM 695 O ILE A 64 3.335 -2.436 7.137 1.00 0.00 O ATOM 696 CB ILE A 64 6.558 -1.334 7.123 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.793 -0.163 6.170 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.596 -2.657 6.370 1.00 0.00 C ATOM 699 CD1 ILE A 64 7.943 -0.378 5.210 1.00 0.00 C ATOM 0 H ILE A 64 6.464 -0.833 9.532 1.00 0.00 H new ATOM 0 HA ILE A 64 4.656 -0.336 7.420 1.00 0.00 H new ATOM 0 HB ILE A 64 7.361 -1.359 7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.883 0.016 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.984 0.737 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.549 -2.752 5.850 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.483 -3.480 7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.783 -2.686 5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.048 0.495 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.864 -0.526 5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.746 -1.258 4.598 1.00 0.00 H new ATOM 711 N GLU A 65 4.845 -3.486 8.430 1.00 0.00 N ATOM 712 CA GLU A 65 4.147 -4.768 8.390 1.00 0.00 C ATOM 713 C GLU A 65 3.003 -4.837 9.398 1.00 0.00 C ATOM 714 O GLU A 65 2.057 -5.603 9.216 1.00 0.00 O ATOM 715 CB GLU A 65 5.134 -5.908 8.645 1.00 0.00 C ATOM 716 CG GLU A 65 5.989 -6.255 7.435 1.00 0.00 C ATOM 717 CD GLU A 65 6.830 -7.497 7.654 1.00 0.00 C ATOM 718 OE1 GLU A 65 7.189 -7.772 8.818 1.00 0.00 O ATOM 719 OE2 GLU A 65 7.129 -8.194 6.661 1.00 0.00 O ATOM 0 H GLU A 65 5.704 -3.491 8.980 1.00 0.00 H new ATOM 0 HA GLU A 65 3.712 -4.870 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.786 -5.634 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.580 -6.794 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.344 -6.405 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.643 -5.414 7.203 1.00 0.00 H new ATOM 726 N THR A 66 3.098 -4.060 10.469 1.00 0.00 N ATOM 727 CA THR A 66 2.076 -4.062 11.499 1.00 0.00 C ATOM 728 C THR A 66 1.094 -2.898 11.346 1.00 0.00 C ATOM 729 O THR A 66 0.086 -2.844 12.050 1.00 0.00 O ATOM 730 CB THR A 66 2.734 -4.003 12.875 1.00 0.00 C ATOM 731 OG1 THR A 66 3.123 -2.679 13.193 1.00 0.00 O ATOM 732 CG2 THR A 66 3.956 -4.889 12.999 1.00 0.00 C ATOM 0 H THR A 66 3.874 -3.421 10.644 1.00 0.00 H new ATOM 0 HA THR A 66 1.506 -4.985 11.393 1.00 0.00 H new ATOM 0 HB THR A 66 1.976 -4.366 13.569 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.502 -2.250 12.398 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.372 -4.797 14.002 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.674 -5.926 12.817 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.703 -4.583 12.267 1.00 0.00 H new ATOM 740 N GLU A 67 1.382 -1.962 10.440 1.00 0.00 N ATOM 741 CA GLU A 67 0.495 -0.816 10.246 1.00 0.00 C ATOM 742 C GLU A 67 0.285 -0.486 8.763 1.00 0.00 C ATOM 743 O GLU A 67 -0.850 -0.301 8.326 1.00 0.00 O ATOM 744 CB GLU A 67 1.032 0.404 11.017 1.00 0.00 C ATOM 745 CG GLU A 67 1.025 1.710 10.232 1.00 0.00 C ATOM 746 CD GLU A 67 -0.377 2.208 9.939 1.00 0.00 C ATOM 747 OE1 GLU A 67 -1.323 1.747 10.612 1.00 0.00 O ATOM 748 OE2 GLU A 67 -0.530 3.058 9.037 1.00 0.00 O ATOM 0 H GLU A 67 2.207 -1.974 9.840 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.484 -1.083 10.645 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.436 0.536 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.053 0.194 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.566 2.471 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.560 1.568 9.293 1.00 0.00 H new ATOM 755 N LEU A 68 1.367 -0.396 7.992 1.00 0.00 N ATOM 756 CA LEU A 68 1.249 -0.068 6.570 1.00 0.00 C ATOM 757 C LEU A 68 0.622 -1.216 5.778 1.00 0.00 C ATOM 758 O LEU A 68 -0.595 -1.253 5.600 1.00 0.00 O ATOM 759 CB LEU A 68 2.611 0.305 5.976 1.00 0.00 C ATOM 760 CG LEU A 68 3.178 1.651 6.436 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.423 2.005 5.636 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.130 2.747 6.304 1.00 0.00 C ATOM 0 H LEU A 68 2.322 -0.543 8.320 1.00 0.00 H new ATOM 0 HA LEU A 68 0.588 0.795 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.326 -0.478 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.524 0.318 4.890 1.00 0.00 H new ATOM 0 HG LEU A 68 3.455 1.566 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.813 2.964 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.180 1.234 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.169 2.071 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.552 3.696 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.821 2.832 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.265 2.500 6.920 1.00 0.00 H new ATOM 774 N ILE A 69 1.456 -2.143 5.294 1.00 0.00 N ATOM 775 CA ILE A 69 0.980 -3.286 4.510 1.00 0.00 C ATOM 776 C ILE A 69 -0.377 -3.800 5.007 1.00 0.00 C ATOM 777 O ILE A 69 -1.328 -3.895 4.231 1.00 0.00 O ATOM 778 CB ILE A 69 2.021 -4.436 4.513 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.097 -4.167 3.456 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.364 -5.790 4.261 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.510 -4.247 3.991 1.00 0.00 C ATOM 0 H ILE A 69 2.466 -2.123 5.432 1.00 0.00 H new ATOM 0 HA ILE A 69 0.848 -2.934 3.487 1.00 0.00 H new ATOM 0 HB ILE A 69 2.481 -4.470 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.984 -4.886 2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.935 -3.177 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.125 -6.571 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.630 -5.989 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.868 -5.779 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.216 -4.045 3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.642 -3.509 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.692 -5.244 4.391 1.00 0.00 H new ATOM 793 N PRO A 70 -0.492 -4.138 6.304 1.00 0.00 N ATOM 794 CA PRO A 70 -1.745 -4.635 6.876 1.00 0.00 C ATOM 795 C PRO A 70 -2.930 -3.744 6.524 1.00 0.00 C ATOM 796 O PRO A 70 -4.037 -4.229 6.292 1.00 0.00 O ATOM 797 CB PRO A 70 -1.498 -4.620 8.392 1.00 0.00 C ATOM 798 CG PRO A 70 -0.211 -3.886 8.586 1.00 0.00 C ATOM 799 CD PRO A 70 0.568 -4.063 7.316 1.00 0.00 C ATOM 0 HA PRO A 70 -1.998 -5.622 6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.314 -4.124 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.434 -5.633 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.392 -2.830 8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.339 -4.284 9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.244 -3.228 7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.176 -4.967 7.335 1.00 0.00 H new ATOM 807 N ASN A 71 -2.689 -2.438 6.486 1.00 0.00 N ATOM 808 CA ASN A 71 -3.735 -1.476 6.162 1.00 0.00 C ATOM 809 C ASN A 71 -3.866 -1.294 4.654 1.00 0.00 C ATOM 810 O ASN A 71 -4.970 -1.131 4.136 1.00 0.00 O ATOM 811 CB ASN A 71 -3.446 -0.127 6.826 1.00 0.00 C ATOM 812 CG ASN A 71 -3.875 -0.094 8.280 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.876 -0.702 8.658 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.117 0.621 9.105 1.00 0.00 N ATOM 0 H ASN A 71 -1.778 -2.021 6.676 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.678 -1.867 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.379 0.086 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.963 0.662 6.280 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.357 0.681 10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.295 1.109 8.749 1.00 0.00 H new ATOM 821 N CYS A 72 -2.737 -1.327 3.951 1.00 0.00 N ATOM 822 CA CYS A 72 -2.745 -1.169 2.502 1.00 0.00 C ATOM 823 C CYS A 72 -3.529 -2.301 1.857 1.00 0.00 C ATOM 824 O CYS A 72 -4.497 -2.065 1.133 1.00 0.00 O ATOM 825 CB CYS A 72 -1.319 -1.136 1.942 1.00 0.00 C ATOM 826 SG CYS A 72 -0.145 -0.178 2.929 1.00 0.00 S ATOM 0 H CYS A 72 -1.812 -1.461 4.359 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.226 -0.219 2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.952 -2.159 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.348 -0.723 0.934 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.543 -0.146 4.166 1.00 0.00 H new ATOM 832 N THR A 73 -3.117 -3.532 2.135 1.00 0.00 N ATOM 833 CA THR A 73 -3.799 -4.695 1.590 1.00 0.00 C ATOM 834 C THR A 73 -5.225 -4.755 2.125 1.00 0.00 C ATOM 835 O THR A 73 -6.167 -5.016 1.381 1.00 0.00 O ATOM 836 CB THR A 73 -3.035 -5.978 1.933 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.347 -7.007 1.011 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.327 -6.502 3.322 1.00 0.00 C ATOM 0 H THR A 73 -2.318 -3.748 2.731 1.00 0.00 H new ATOM 0 HA THR A 73 -3.836 -4.607 0.504 1.00 0.00 H new ATOM 0 HB THR A 73 -1.981 -5.706 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.849 -7.818 1.245 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.752 -7.412 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.049 -5.750 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.391 -6.723 3.412 1.00 0.00 H new ATOM 846 N SER A 74 -5.385 -4.478 3.419 1.00 0.00 N ATOM 847 CA SER A 74 -6.710 -4.471 4.025 1.00 0.00 C ATOM 848 C SER A 74 -7.594 -3.486 3.272 1.00 0.00 C ATOM 849 O SER A 74 -8.803 -3.681 3.141 1.00 0.00 O ATOM 850 CB SER A 74 -6.629 -4.085 5.503 1.00 0.00 C ATOM 851 OG SER A 74 -7.907 -3.748 6.013 1.00 0.00 O ATOM 0 H SER A 74 -4.622 -4.258 4.059 1.00 0.00 H new ATOM 0 HA SER A 74 -7.137 -5.472 3.963 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.212 -4.913 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.951 -3.240 5.625 1.00 0.00 H new ATOM 0 HG SER A 74 -7.828 -3.507 6.960 1.00 0.00 H new ATOM 857 N VAL A 75 -6.959 -2.437 2.755 1.00 0.00 N ATOM 858 CA VAL A 75 -7.647 -1.420 1.983 1.00 0.00 C ATOM 859 C VAL A 75 -8.076 -2.000 0.633 1.00 0.00 C ATOM 860 O VAL A 75 -9.078 -1.580 0.055 1.00 0.00 O ATOM 861 CB VAL A 75 -6.733 -0.175 1.805 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.568 0.223 0.348 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.255 0.998 2.623 1.00 0.00 C ATOM 0 H VAL A 75 -5.958 -2.273 2.862 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.543 -1.100 2.515 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.746 -0.453 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.921 1.097 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.121 -0.602 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.543 0.460 -0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.601 1.858 2.484 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.263 1.251 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.276 0.725 3.678 1.00 0.00 H new ATOM 873 N ARG A 76 -7.323 -2.995 0.155 1.00 0.00 N ATOM 874 CA ARG A 76 -7.641 -3.661 -1.103 1.00 0.00 C ATOM 875 C ARG A 76 -8.935 -4.443 -0.952 1.00 0.00 C ATOM 876 O ARG A 76 -9.893 -4.227 -1.690 1.00 0.00 O ATOM 877 CB ARG A 76 -6.523 -4.626 -1.505 1.00 0.00 C ATOM 878 CG ARG A 76 -5.219 -3.949 -1.888 1.00 0.00 C ATOM 879 CD ARG A 76 -4.120 -4.973 -2.130 1.00 0.00 C ATOM 880 NE ARG A 76 -4.522 -5.985 -3.103 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.717 -6.947 -3.549 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.467 -7.032 -3.111 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.163 -7.828 -4.433 1.00 0.00 N ATOM 0 H ARG A 76 -6.491 -3.354 0.623 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.748 -2.900 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.334 -5.309 -0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.865 -5.230 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.367 -3.350 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.915 -3.265 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.223 -4.465 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.862 -5.457 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.476 -5.953 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.119 -6.358 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.855 -7.771 -3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.123 -7.769 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.546 -8.565 -4.775 1.00 0.00 H new ATOM 897 N ASP A 77 -8.955 -5.353 0.024 1.00 0.00 N ATOM 898 CA ASP A 77 -10.136 -6.169 0.289 1.00 0.00 C ATOM 899 C ASP A 77 -11.381 -5.295 0.328 1.00 0.00 C ATOM 900 O ASP A 77 -12.457 -5.702 -0.111 1.00 0.00 O ATOM 901 CB ASP A 77 -9.978 -6.921 1.613 1.00 0.00 C ATOM 902 CG ASP A 77 -10.509 -8.339 1.540 1.00 0.00 C ATOM 903 OD1 ASP A 77 -10.091 -9.083 0.627 1.00 0.00 O ATOM 904 OD2 ASP A 77 -11.342 -8.707 2.395 1.00 0.00 O ATOM 0 H ASP A 77 -8.166 -5.541 0.642 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.243 -6.897 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.924 -6.945 1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.503 -6.380 2.400 1.00 0.00 H new ATOM 909 N LYS A 78 -11.217 -4.081 0.841 1.00 0.00 N ATOM 910 CA LYS A 78 -12.316 -3.132 0.920 1.00 0.00 C ATOM 911 C LYS A 78 -12.720 -2.700 -0.483 1.00 0.00 C ATOM 912 O LYS A 78 -13.905 -2.621 -0.809 1.00 0.00 O ATOM 913 CB LYS A 78 -11.905 -1.916 1.756 1.00 0.00 C ATOM 914 CG LYS A 78 -12.206 -2.069 3.239 1.00 0.00 C ATOM 915 CD LYS A 78 -13.013 -0.895 3.771 1.00 0.00 C ATOM 916 CE LYS A 78 -12.124 0.118 4.475 1.00 0.00 C ATOM 917 NZ LYS A 78 -12.786 0.697 5.676 1.00 0.00 N ATOM 0 H LYS A 78 -10.332 -3.732 1.208 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.168 -3.609 1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.837 -1.740 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.421 -1.034 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.757 -2.995 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.271 -2.150 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.538 -0.410 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.772 -1.258 4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.191 -0.361 4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.866 0.918 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.148 1.383 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.664 1.177 5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.010 -0.063 6.349 1.00 0.00 H new ATOM 931 N ILE A 79 -11.717 -2.445 -1.315 1.00 0.00 N ATOM 932 CA ILE A 79 -11.943 -2.044 -2.694 1.00 0.00 C ATOM 933 C ILE A 79 -12.460 -3.226 -3.506 1.00 0.00 C ATOM 934 O ILE A 79 -13.411 -3.098 -4.276 1.00 0.00 O ATOM 935 CB ILE A 79 -10.639 -1.506 -3.324 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.301 -0.136 -2.738 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.749 -1.431 -4.841 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.838 0.230 -2.862 1.00 0.00 C ATOM 0 H ILE A 79 -10.733 -2.510 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.689 -1.250 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.832 -2.200 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.901 0.623 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.583 -0.120 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.816 -1.049 -5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.943 -2.426 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.567 -0.764 -5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.671 1.215 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.232 -0.508 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.555 0.247 -3.915 1.00 0.00 H new ATOM 950 N GLU A 80 -11.830 -4.379 -3.316 1.00 0.00 N ATOM 951 CA GLU A 80 -12.227 -5.589 -4.017 1.00 0.00 C ATOM 952 C GLU A 80 -13.609 -6.034 -3.555 1.00 0.00 C ATOM 953 O GLU A 80 -14.385 -6.590 -4.332 1.00 0.00 O ATOM 954 CB GLU A 80 -11.208 -6.704 -3.779 1.00 0.00 C ATOM 955 CG GLU A 80 -9.791 -6.329 -4.181 1.00 0.00 C ATOM 956 CD GLU A 80 -8.824 -7.491 -4.066 1.00 0.00 C ATOM 957 OE1 GLU A 80 -9.075 -8.537 -4.701 1.00 0.00 O ATOM 958 OE2 GLU A 80 -7.817 -7.356 -3.340 1.00 0.00 O ATOM 0 H GLU A 80 -11.041 -4.499 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.264 -5.375 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.218 -6.974 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.513 -7.589 -4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.794 -5.964 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.444 -5.509 -3.552 1.00 0.00 H new ATOM 965 N SER A 81 -13.915 -5.772 -2.285 1.00 0.00 N ATOM 966 CA SER A 81 -15.212 -6.134 -1.728 1.00 0.00 C ATOM 967 C SER A 81 -16.316 -5.387 -2.463 1.00 0.00 C ATOM 968 O SER A 81 -17.409 -5.912 -2.673 1.00 0.00 O ATOM 969 CB SER A 81 -15.261 -5.811 -0.234 1.00 0.00 C ATOM 970 OG SER A 81 -16.596 -5.792 0.241 1.00 0.00 O ATOM 0 H SER A 81 -13.285 -5.313 -1.628 1.00 0.00 H new ATOM 0 HA SER A 81 -15.362 -7.206 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.685 -6.552 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.794 -4.843 -0.053 1.00 0.00 H new ATOM 0 HG SER A 81 -16.599 -5.585 1.199 1.00 0.00 H new ATOM 976 N ASN A 82 -16.009 -4.157 -2.864 1.00 0.00 N ATOM 977 CA ASN A 82 -16.956 -3.326 -3.592 1.00 0.00 C ATOM 978 C ASN A 82 -17.032 -3.768 -5.051 1.00 0.00 C ATOM 979 O ASN A 82 -16.204 -3.376 -5.873 1.00 0.00 O ATOM 980 CB ASN A 82 -16.529 -1.861 -3.504 1.00 0.00 C ATOM 981 CG ASN A 82 -17.639 -0.904 -3.881 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.773 -1.034 -3.422 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.311 0.064 -4.725 1.00 0.00 N ATOM 0 H ASN A 82 -15.106 -3.714 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.944 -3.436 -3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.198 -1.644 -2.489 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.675 -1.696 -4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.013 0.742 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.357 0.131 -5.079 1.00 0.00 H new ATOM 990 N ILE A 83 -18.023 -4.601 -5.361 1.00 0.00 N ATOM 991 CA ILE A 83 -18.203 -5.120 -6.716 1.00 0.00 C ATOM 992 C ILE A 83 -18.098 -4.026 -7.775 1.00 0.00 C ATOM 993 O ILE A 83 -17.707 -4.292 -8.911 1.00 0.00 O ATOM 994 CB ILE A 83 -19.559 -5.838 -6.868 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.614 -6.592 -8.199 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.705 -4.841 -6.770 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.473 -7.568 -8.391 1.00 0.00 C ATOM 0 H ILE A 83 -18.716 -4.932 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.394 -5.833 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.663 -6.559 -6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.558 -7.133 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.605 -5.871 -9.016 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.654 -5.366 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.674 -4.345 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.608 -4.097 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.578 -8.065 -9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.525 -7.030 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.493 -8.312 -7.595 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.445 -2.798 -7.404 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.380 -1.682 -8.341 1.00 0.00 C ATOM 1011 C LEU A 84 -16.994 -1.584 -8.974 1.00 0.00 C ATOM 1012 O LEU A 84 -16.838 -1.028 -10.061 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.734 -0.373 -7.640 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.231 -0.086 -7.528 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.507 0.859 -6.371 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.760 0.492 -8.832 1.00 0.00 C ATOM 0 H LEU A 84 -18.771 -2.551 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.107 -1.862 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.306 -0.388 -6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.261 0.449 -8.177 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.750 -1.025 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.578 1.052 -6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.163 0.406 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.978 1.798 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.827 0.691 -8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.237 1.421 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.595 -0.221 -9.639 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.993 -2.139 -8.295 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.630 -2.123 -8.807 1.00 0.00 C ATOM 1030 C ILE A 85 -14.534 -2.962 -10.077 1.00 0.00 C ATOM 1031 O ILE A 85 -13.725 -2.682 -10.962 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.625 -2.649 -7.761 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.194 -2.570 -8.299 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.966 -4.075 -7.358 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.429 -1.367 -7.798 1.00 0.00 C ATOM 0 H ILE A 85 -16.102 -2.603 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.375 -1.088 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.694 -2.017 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.657 -3.476 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.224 -2.544 -9.388 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.245 -4.427 -6.620 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.968 -4.102 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.930 -4.720 -8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.423 -1.374 -8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.943 -0.456 -8.103 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.368 -1.402 -6.710 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.378 -3.986 -10.163 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.402 -4.861 -11.328 1.00 0.00 C ATOM 1049 C HIS A 86 -16.337 -4.303 -12.398 1.00 0.00 C ATOM 1050 O HIS A 86 -16.168 -4.575 -13.587 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.845 -6.269 -10.928 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.850 -6.986 -10.069 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.941 -7.896 -10.567 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.621 -6.922 -8.735 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.198 -8.361 -9.579 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.590 -7.785 -8.458 1.00 0.00 N ATOM 0 H HIS A 86 -16.054 -4.229 -9.439 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.393 -4.913 -11.738 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.794 -6.205 -10.395 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.024 -6.855 -11.829 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.151 -6.307 -8.023 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.405 -9.088 -9.672 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.191 -7.954 -7.535 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.321 -3.519 -11.966 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.282 -2.918 -12.883 1.00 0.00 C ATOM 1067 C GLN A 87 -17.691 -1.681 -13.552 1.00 0.00 C ATOM 1068 O GLN A 87 -17.948 -1.415 -14.726 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.564 -2.542 -12.135 1.00 0.00 C ATOM 1070 CG GLN A 87 -20.404 -3.740 -11.725 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.676 -3.868 -12.540 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.650 -3.797 -13.769 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -22.800 -4.055 -11.858 1.00 0.00 N ATOM 0 H GLN A 87 -17.473 -3.285 -10.985 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.520 -3.650 -13.655 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.301 -1.972 -11.244 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -20.164 -1.887 -12.767 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.813 -4.649 -11.837 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.661 -3.655 -10.669 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -22.776 -4.108 -10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -23.687 -4.146 -12.353 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.897 -0.929 -12.796 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.269 0.281 -13.315 1.00 0.00 C ATOM 1084 C ASN A 88 -15.034 -0.061 -14.142 1.00 0.00 C ATOM 1085 O ASN A 88 -14.386 -1.083 -13.915 1.00 0.00 O ATOM 1086 CB ASN A 88 -15.887 1.217 -12.165 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.427 2.620 -12.359 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -16.526 3.110 -13.484 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -16.779 3.276 -11.259 1.00 0.00 N ATOM 0 H ASN A 88 -16.673 -1.136 -11.823 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.987 0.787 -13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.267 0.811 -11.228 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.801 1.257 -12.078 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.148 4.224 -11.327 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.680 2.831 -10.346 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.713 0.800 -15.101 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.556 0.571 -15.946 1.00 0.00 C ATOM 1098 C GLY A 89 -12.310 1.255 -15.418 1.00 0.00 C ATOM 1099 O GLY A 89 -11.305 0.601 -15.138 1.00 0.00 O ATOM 0 H GLY A 89 -15.233 1.652 -15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.373 -0.501 -16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.767 0.933 -16.952 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.377 2.575 -15.280 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.247 3.349 -14.782 1.00 0.00 C ATOM 1105 C LYS A 90 -10.861 2.904 -13.376 1.00 0.00 C ATOM 1106 O LYS A 90 -9.706 2.566 -13.117 1.00 0.00 O ATOM 1107 CB LYS A 90 -11.584 4.842 -14.783 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.168 5.558 -16.057 1.00 0.00 C ATOM 1109 CD LYS A 90 -10.917 7.036 -15.808 1.00 0.00 C ATOM 1110 CE LYS A 90 -12.124 7.878 -16.188 1.00 0.00 C ATOM 1111 NZ LYS A 90 -11.730 9.223 -16.689 1.00 0.00 N ATOM 0 H LYS A 90 -13.202 3.131 -15.506 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.399 3.175 -15.444 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.658 4.964 -14.642 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.095 5.317 -13.933 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.265 5.097 -16.457 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.946 5.442 -16.812 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.679 7.193 -14.756 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.050 7.361 -16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.700 7.360 -16.955 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.775 7.990 -15.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.583 9.765 -16.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.202 9.728 -15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.130 9.117 -17.532 1.00 0.00 H new ATOM 1125 N LEU A 91 -11.833 2.909 -12.469 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.591 2.509 -11.088 1.00 0.00 C ATOM 1127 C LEU A 91 -11.020 1.100 -11.012 1.00 0.00 C ATOM 1128 O LEU A 91 -10.107 0.832 -10.233 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.881 2.591 -10.278 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.136 3.945 -9.624 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.480 3.943 -8.916 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -12.011 4.288 -8.656 1.00 0.00 C ATOM 0 H LEU A 91 -12.795 3.186 -12.666 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.858 3.197 -10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.720 2.354 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.856 1.826 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.160 4.710 -10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.649 4.915 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.271 3.742 -9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.485 3.170 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.208 5.257 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.953 3.525 -7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.065 4.328 -9.197 1.00 0.00 H new ATOM 1144 N SER A 92 -11.550 0.199 -11.830 1.00 0.00 N ATOM 1145 CA SER A 92 -11.065 -1.177 -11.847 1.00 0.00 C ATOM 1146 C SER A 92 -9.542 -1.182 -11.919 1.00 0.00 C ATOM 1147 O SER A 92 -8.870 -1.909 -11.186 1.00 0.00 O ATOM 1148 CB SER A 92 -11.651 -1.938 -13.037 1.00 0.00 C ATOM 1149 OG SER A 92 -11.006 -3.188 -13.211 1.00 0.00 O ATOM 0 H SER A 92 -12.308 0.392 -12.484 1.00 0.00 H new ATOM 0 HA SER A 92 -11.384 -1.675 -10.931 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.719 -2.095 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.544 -1.341 -13.943 1.00 0.00 H new ATOM 0 HG SER A 92 -11.400 -3.656 -13.977 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.012 -0.339 -12.797 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.572 -0.214 -12.967 1.00 0.00 C ATOM 1157 C ALA A 93 -6.958 0.585 -11.823 1.00 0.00 C ATOM 1158 O ALA A 93 -5.805 0.366 -11.451 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.256 0.445 -14.300 1.00 0.00 C ATOM 0 H ALA A 93 -9.561 0.270 -13.404 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.138 -1.214 -12.956 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.176 0.533 -14.415 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.659 -0.162 -15.111 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.706 1.437 -14.331 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.737 1.513 -11.266 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.265 2.345 -10.159 1.00 0.00 C ATOM 1167 C ASP A 94 -6.577 1.497 -9.097 1.00 0.00 C ATOM 1168 O ASP A 94 -5.357 1.532 -8.956 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.424 3.121 -9.525 1.00 0.00 C ATOM 1170 CG ASP A 94 -8.738 4.403 -10.270 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -9.092 4.324 -11.465 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.629 5.487 -9.658 1.00 0.00 O ATOM 0 H ASP A 94 -8.694 1.707 -11.562 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.545 3.055 -10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.312 2.489 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.176 3.357 -8.490 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.371 0.733 -8.358 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.847 -0.129 -7.308 1.00 0.00 C ATOM 1179 C PHE A 95 -5.870 -1.157 -7.880 1.00 0.00 C ATOM 1180 O PHE A 95 -4.821 -1.418 -7.291 1.00 0.00 O ATOM 1181 CB PHE A 95 -8.008 -0.816 -6.581 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.802 -2.284 -6.322 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -8.173 -3.219 -7.273 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.237 -2.726 -5.135 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.987 -4.569 -7.048 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -7.049 -4.074 -4.905 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.424 -4.997 -5.861 1.00 0.00 C ATOM 0 H PHE A 95 -8.384 0.693 -8.468 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.295 0.480 -6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.173 -0.312 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.916 -0.688 -7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.613 -2.889 -8.202 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.941 -2.009 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.281 -5.288 -7.798 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.608 -4.407 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.277 -6.052 -5.681 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.219 -1.742 -9.026 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.364 -2.742 -9.661 1.00 0.00 C ATOM 1199 C LYS A 96 -3.933 -2.231 -9.801 1.00 0.00 C ATOM 1200 O LYS A 96 -2.975 -2.979 -9.611 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.918 -3.122 -11.034 1.00 0.00 C ATOM 1202 CG LYS A 96 -7.118 -4.052 -10.966 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.836 -4.135 -12.303 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.715 -5.520 -12.919 1.00 0.00 C ATOM 1205 NZ LYS A 96 -6.307 -5.850 -13.272 1.00 0.00 N ATOM 0 H LYS A 96 -7.083 -1.542 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.353 -3.626 -9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.201 -2.214 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.130 -3.600 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.791 -5.047 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.810 -3.699 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.889 -3.887 -12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.420 -3.395 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.097 -6.263 -12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.336 -5.575 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.272 -6.788 -13.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.939 -5.137 -13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.725 -5.856 -12.410 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.798 -0.950 -10.125 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.483 -0.336 -10.282 1.00 0.00 C ATOM 1221 C ASN A 97 -1.820 -0.141 -8.924 1.00 0.00 C ATOM 1222 O ASN A 97 -0.607 -0.292 -8.785 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.606 1.011 -10.996 1.00 0.00 C ATOM 1224 CG ASN A 97 -1.399 1.321 -11.859 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.261 1.287 -11.391 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.642 1.625 -13.129 1.00 0.00 N ATOM 0 H ASN A 97 -4.581 -0.316 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.865 -1.002 -10.884 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.502 1.009 -11.617 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.732 1.801 -10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.869 1.842 -13.758 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.601 1.641 -13.475 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.629 0.195 -7.926 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.129 0.410 -6.575 1.00 0.00 C ATOM 1235 C LEU A 98 -1.673 -0.904 -5.958 1.00 0.00 C ATOM 1236 O LEU A 98 -0.517 -1.048 -5.563 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.211 1.053 -5.708 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.908 2.257 -6.340 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.238 2.530 -5.659 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.013 3.483 -6.278 1.00 0.00 C ATOM 0 H LEU A 98 -3.636 0.324 -8.028 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.273 1.083 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.962 0.299 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.763 1.364 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.105 2.026 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.716 3.391 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.884 1.658 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.070 2.737 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.525 4.331 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.783 3.713 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.088 3.286 -6.819 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.584 -1.868 -5.887 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.256 -3.174 -5.328 1.00 0.00 C ATOM 1254 C LYS A 99 -1.089 -3.786 -6.088 1.00 0.00 C ATOM 1255 O LYS A 99 -0.250 -4.477 -5.512 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.466 -4.111 -5.382 1.00 0.00 C ATOM 1257 CG LYS A 99 -4.154 -4.142 -6.739 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.370 -5.568 -7.227 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.911 -5.742 -8.666 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.486 -7.141 -8.949 1.00 0.00 N ATOM 0 H LYS A 99 -3.548 -1.771 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.974 -3.039 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.145 -5.120 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.188 -3.803 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.114 -3.631 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.552 -3.596 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.825 -6.260 -6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.426 -5.824 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.721 -5.465 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.082 -5.063 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.181 -7.217 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.696 -7.397 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.284 -7.787 -8.782 1.00 0.00 H new ATOM 1274 N THR A 100 -1.037 -3.509 -7.385 1.00 0.00 N ATOM 1275 CA THR A 100 0.031 -4.012 -8.232 1.00 0.00 C ATOM 1276 C THR A 100 1.349 -3.339 -7.867 1.00 0.00 C ATOM 1277 O THR A 100 2.335 -4.008 -7.557 1.00 0.00 O ATOM 1278 CB THR A 100 -0.309 -3.763 -9.706 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.246 -4.718 -10.170 1.00 0.00 O ATOM 1280 CG2 THR A 100 0.891 -3.816 -10.626 1.00 0.00 C ATOM 0 H THR A 100 -1.726 -2.936 -7.872 1.00 0.00 H new ATOM 0 HA THR A 100 0.135 -5.086 -8.075 1.00 0.00 H new ATOM 0 HB THR A 100 -0.718 -2.753 -9.736 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.081 -4.266 -10.413 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.572 -3.631 -11.652 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.612 -3.055 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.355 -4.800 -10.563 1.00 0.00 H new ATOM 1288 N LYS A 101 1.356 -2.010 -7.896 1.00 0.00 N ATOM 1289 CA LYS A 101 2.552 -1.255 -7.556 1.00 0.00 C ATOM 1290 C LYS A 101 2.956 -1.539 -6.115 1.00 0.00 C ATOM 1291 O LYS A 101 4.140 -1.600 -5.791 1.00 0.00 O ATOM 1292 CB LYS A 101 2.319 0.248 -7.769 1.00 0.00 C ATOM 1293 CG LYS A 101 1.592 0.937 -6.623 1.00 0.00 C ATOM 1294 CD LYS A 101 1.515 2.441 -6.835 1.00 0.00 C ATOM 1295 CE LYS A 101 2.662 3.160 -6.143 1.00 0.00 C ATOM 1296 NZ LYS A 101 3.713 3.588 -7.108 1.00 0.00 N ATOM 0 H LYS A 101 0.551 -1.438 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 101 3.364 -1.568 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.282 0.736 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.745 0.389 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.585 0.529 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.107 0.727 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.537 2.661 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.566 2.815 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.277 4.032 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.103 2.503 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.477 4.074 -6.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.098 2.753 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.298 4.236 -7.808 1.00 0.00 H new ATOM 1310 N TYR A 102 1.955 -1.725 -5.259 1.00 0.00 N ATOM 1311 CA TYR A 102 2.191 -2.014 -3.850 1.00 0.00 C ATOM 1312 C TYR A 102 2.956 -3.326 -3.694 1.00 0.00 C ATOM 1313 O TYR A 102 3.829 -3.448 -2.835 1.00 0.00 O ATOM 1314 CB TYR A 102 0.853 -2.067 -3.098 1.00 0.00 C ATOM 1315 CG TYR A 102 0.873 -2.892 -1.826 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.686 -2.542 -0.754 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.071 -4.018 -1.700 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.698 -3.295 0.407 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.077 -4.774 -0.544 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.892 -4.408 0.505 1.00 0.00 C ATOM 1321 OH TYR A 102 0.900 -5.159 1.656 1.00 0.00 O ATOM 0 H TYR A 102 0.970 -1.680 -5.519 1.00 0.00 H new ATOM 0 HA TYR A 102 2.800 -1.218 -3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.551 -1.050 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.092 -2.472 -3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.318 -1.669 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.569 -4.308 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.336 -3.012 1.231 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.554 -5.647 -0.463 1.00 0.00 H new ATOM 0 HH TYR A 102 0.389 -5.983 1.513 1.00 0.00 H new ATOM 1331 N GLN A 103 2.626 -4.303 -4.533 1.00 0.00 N ATOM 1332 CA GLN A 103 3.289 -5.601 -4.485 1.00 0.00 C ATOM 1333 C GLN A 103 4.778 -5.455 -4.764 1.00 0.00 C ATOM 1334 O GLN A 103 5.603 -6.125 -4.148 1.00 0.00 O ATOM 1335 CB GLN A 103 2.663 -6.562 -5.500 1.00 0.00 C ATOM 1336 CG GLN A 103 1.229 -6.947 -5.178 1.00 0.00 C ATOM 1337 CD GLN A 103 0.993 -8.442 -5.265 1.00 0.00 C ATOM 1338 OE1 GLN A 103 0.936 -9.134 -4.249 1.00 0.00 O ATOM 1339 NE2 GLN A 103 0.855 -8.947 -6.485 1.00 0.00 N ATOM 0 H GLN A 103 1.907 -4.221 -5.251 1.00 0.00 H new ATOM 0 HA GLN A 103 3.158 -6.010 -3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.693 -6.102 -6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.269 -7.466 -5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.981 -6.602 -4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.556 -6.436 -5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.909 -8.335 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.694 -9.947 -6.608 1.00 0.00 H new ATOM 1348 N SER A 104 5.116 -4.574 -5.694 1.00 0.00 N ATOM 1349 CA SER A 104 6.510 -4.342 -6.043 1.00 0.00 C ATOM 1350 C SER A 104 7.260 -3.731 -4.867 1.00 0.00 C ATOM 1351 O SER A 104 8.439 -4.009 -4.652 1.00 0.00 O ATOM 1352 CB SER A 104 6.603 -3.407 -7.245 1.00 0.00 C ATOM 1353 OG SER A 104 7.654 -3.790 -8.115 1.00 0.00 O ATOM 0 H SER A 104 4.447 -4.010 -6.219 1.00 0.00 H new ATOM 0 HA SER A 104 6.963 -5.301 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.658 -3.414 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.766 -2.385 -6.902 1.00 0.00 H new ATOM 0 HG SER A 104 7.689 -3.174 -8.877 1.00 0.00 H new ATOM 1359 N LEU A 105 6.562 -2.891 -4.112 1.00 0.00 N ATOM 1360 CA LEU A 105 7.150 -2.228 -2.960 1.00 0.00 C ATOM 1361 C LEU A 105 7.527 -3.231 -1.885 1.00 0.00 C ATOM 1362 O LEU A 105 8.657 -3.238 -1.400 1.00 0.00 O ATOM 1363 CB LEU A 105 6.167 -1.209 -2.387 1.00 0.00 C ATOM 1364 CG LEU A 105 5.614 -0.206 -3.396 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.449 0.567 -2.798 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.711 0.739 -3.853 1.00 0.00 C ATOM 0 H LEU A 105 5.584 -2.654 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 105 8.056 -1.719 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.332 -1.746 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.662 -0.660 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 105 5.246 -0.752 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.068 1.277 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.656 -0.127 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.786 1.106 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.303 1.449 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.107 1.280 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.512 0.167 -4.322 1.00 0.00 H new ATOM 1378 N GLN A 106 6.576 -4.078 -1.511 1.00 0.00 N ATOM 1379 CA GLN A 106 6.831 -5.082 -0.479 1.00 0.00 C ATOM 1380 C GLN A 106 8.034 -5.940 -0.860 1.00 0.00 C ATOM 1381 O GLN A 106 8.877 -6.260 -0.021 1.00 0.00 O ATOM 1382 CB GLN A 106 5.610 -5.987 -0.238 1.00 0.00 C ATOM 1383 CG GLN A 106 4.497 -5.862 -1.267 1.00 0.00 C ATOM 1384 CD GLN A 106 3.627 -7.102 -1.331 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.630 -7.827 -2.326 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.877 -7.354 -0.265 1.00 0.00 N ATOM 0 H GLN A 106 5.633 -4.093 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 106 7.039 -4.545 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.946 -7.024 -0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.200 -5.762 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.877 -4.999 -1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.933 -5.676 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.905 -6.726 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.272 -8.175 -0.249 1.00 0.00 H new ATOM 1395 N GLN A 107 8.097 -6.314 -2.133 1.00 0.00 N ATOM 1396 CA GLN A 107 9.185 -7.143 -2.645 1.00 0.00 C ATOM 1397 C GLN A 107 10.521 -6.404 -2.622 1.00 0.00 C ATOM 1398 O GLN A 107 11.515 -6.922 -2.114 1.00 0.00 O ATOM 1399 CB GLN A 107 8.879 -7.597 -4.075 1.00 0.00 C ATOM 1400 CG GLN A 107 7.453 -8.083 -4.274 1.00 0.00 C ATOM 1401 CD GLN A 107 7.374 -9.570 -4.565 1.00 0.00 C ATOM 1402 OE1 GLN A 107 8.394 -10.250 -4.670 1.00 0.00 O ATOM 1403 NE2 GLN A 107 6.155 -10.081 -4.698 1.00 0.00 N ATOM 0 H GLN A 107 7.403 -6.055 -2.834 1.00 0.00 H new ATOM 0 HA GLN A 107 9.265 -8.012 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.069 -6.769 -4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.567 -8.398 -4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.870 -7.861 -3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.998 -7.532 -5.097 1.00 0.00 H new ATOM 0 HE21 GLN A 107 5.337 -9.480 -4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.037 -11.075 -4.895 1.00 0.00 H new ATOM 1412 N SER A 108 10.547 -5.199 -3.186 1.00 0.00 N ATOM 1413 CA SER A 108 11.774 -4.408 -3.236 1.00 0.00 C ATOM 1414 C SER A 108 12.293 -4.110 -1.835 1.00 0.00 C ATOM 1415 O SER A 108 13.502 -4.047 -1.606 1.00 0.00 O ATOM 1416 CB SER A 108 11.530 -3.100 -3.991 1.00 0.00 C ATOM 1417 OG SER A 108 11.613 -3.295 -5.392 1.00 0.00 O ATOM 0 H SER A 108 9.737 -4.750 -3.613 1.00 0.00 H new ATOM 0 HA SER A 108 12.529 -4.991 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.547 -2.706 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.263 -2.355 -3.681 1.00 0.00 H new ATOM 0 HG SER A 108 11.452 -2.444 -5.851 1.00 0.00 H new ATOM 1423 N TYR A 109 11.369 -3.921 -0.905 1.00 0.00 N ATOM 1424 CA TYR A 109 11.715 -3.618 0.477 1.00 0.00 C ATOM 1425 C TYR A 109 12.017 -4.889 1.259 1.00 0.00 C ATOM 1426 O TYR A 109 12.982 -4.943 2.022 1.00 0.00 O ATOM 1427 CB TYR A 109 10.568 -2.822 1.112 1.00 0.00 C ATOM 1428 CG TYR A 109 10.078 -3.314 2.461 1.00 0.00 C ATOM 1429 CD1 TYR A 109 10.955 -3.538 3.515 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.725 -3.533 2.678 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.498 -3.971 4.742 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.259 -3.964 3.903 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.150 -4.183 4.932 1.00 0.00 C ATOM 1434 OH TYR A 109 8.690 -4.614 6.156 1.00 0.00 O ATOM 0 H TYR A 109 10.366 -3.973 -1.084 1.00 0.00 H new ATOM 0 HA TYR A 109 12.622 -3.014 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.889 -1.786 1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.726 -2.823 0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.012 -3.370 3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.024 -3.363 1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.194 -4.143 5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.203 -4.129 4.055 1.00 0.00 H new ATOM 0 HH TYR A 109 9.061 -4.046 6.863 1.00 0.00 H new ATOM 1444 N ASN A 110 11.188 -5.908 1.074 1.00 0.00 N ATOM 1445 CA ASN A 110 11.379 -7.170 1.776 1.00 0.00 C ATOM 1446 C ASN A 110 12.799 -7.688 1.571 1.00 0.00 C ATOM 1447 O ASN A 110 13.454 -8.136 2.513 1.00 0.00 O ATOM 1448 CB ASN A 110 10.363 -8.210 1.301 1.00 0.00 C ATOM 1449 CG ASN A 110 9.042 -8.106 2.038 1.00 0.00 C ATOM 1450 OD1 ASN A 110 9.002 -7.766 3.221 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.950 -8.399 1.341 1.00 0.00 N ATOM 0 H ASN A 110 10.383 -5.886 0.449 1.00 0.00 H new ATOM 0 HA ASN A 110 11.223 -6.994 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.191 -8.084 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.777 -9.209 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.033 -8.347 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 110 8.029 -8.676 0.363 1.00 0.00 H new ATOM 1458 N GLN A 111 13.281 -7.608 0.339 1.00 0.00 N ATOM 1459 CA GLN A 111 14.633 -8.054 0.040 1.00 0.00 C ATOM 1460 C GLN A 111 15.635 -7.168 0.761 1.00 0.00 C ATOM 1461 O GLN A 111 16.450 -7.643 1.551 1.00 0.00 O ATOM 1462 CB GLN A 111 14.909 -8.028 -1.465 1.00 0.00 C ATOM 1463 CG GLN A 111 14.556 -6.720 -2.153 1.00 0.00 C ATOM 1464 CD GLN A 111 14.388 -6.883 -3.650 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.273 -7.029 -4.151 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.502 -6.864 -4.374 1.00 0.00 N ATOM 0 H GLN A 111 12.763 -7.243 -0.460 1.00 0.00 H new ATOM 0 HA GLN A 111 14.735 -9.083 0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.966 -8.236 -1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.348 -8.834 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.633 -6.326 -1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.337 -5.986 -1.955 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.405 -6.740 -3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.454 -6.973 -5.387 1.00 0.00 H new ATOM 1475 N ARG A 112 15.550 -5.872 0.487 1.00 0.00 N ATOM 1476 CA ARG A 112 16.430 -4.885 1.100 1.00 0.00 C ATOM 1477 C ARG A 112 16.474 -5.054 2.614 1.00 0.00 C ATOM 1478 O ARG A 112 17.534 -4.946 3.230 1.00 0.00 O ATOM 1479 CB ARG A 112 15.952 -3.473 0.754 1.00 0.00 C ATOM 1480 CG ARG A 112 16.746 -2.815 -0.361 1.00 0.00 C ATOM 1481 CD ARG A 112 16.611 -1.301 -0.318 1.00 0.00 C ATOM 1482 NE ARG A 112 17.885 -0.629 -0.561 1.00 0.00 N ATOM 1483 CZ ARG A 112 18.544 -0.685 -1.716 1.00 0.00 C ATOM 1484 NH1 ARG A 112 18.054 -1.379 -2.735 1.00 0.00 N ATOM 1485 NH2 ARG A 112 19.697 -0.043 -1.853 1.00 0.00 N ATOM 0 H ARG A 112 14.872 -5.477 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 112 17.435 -5.037 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.902 -3.515 0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.011 -2.850 1.647 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.797 -3.091 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.398 -3.186 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 112 15.884 -0.981 -1.065 1.00 0.00 H new ATOM 0 HD3 ARG A 112 16.222 -1.000 0.655 1.00 0.00 H new ATOM 0 HE ARG A 112 18.294 -0.085 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.167 -1.874 -2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 112 18.564 -1.418 -3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 112 20.078 0.493 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 112 20.202 -0.086 -2.738 1.00 0.00 H new ATOM 1499 N LYS A 113 15.315 -5.318 3.209 1.00 0.00 N ATOM 1500 CA LYS A 113 15.230 -5.498 4.654 1.00 0.00 C ATOM 1501 C LYS A 113 16.081 -6.685 5.098 1.00 0.00 C ATOM 1502 O LYS A 113 16.603 -6.706 6.213 1.00 0.00 O ATOM 1503 CB LYS A 113 13.764 -5.664 5.094 1.00 0.00 C ATOM 1504 CG LYS A 113 13.216 -7.082 4.991 1.00 0.00 C ATOM 1505 CD LYS A 113 12.417 -7.461 6.226 1.00 0.00 C ATOM 1506 CE LYS A 113 10.946 -7.122 6.057 1.00 0.00 C ATOM 1507 NZ LYS A 113 10.320 -6.702 7.341 1.00 0.00 N ATOM 0 H LYS A 113 14.427 -5.412 2.716 1.00 0.00 H new ATOM 0 HA LYS A 113 15.624 -4.605 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.671 -5.329 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.142 -5.006 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.583 -7.165 4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.040 -7.783 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.527 -8.528 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.816 -6.937 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.840 -6.323 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.417 -7.989 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.644 -5.932 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.820 -7.510 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.058 -6.370 7.995 1.00 0.00 H new ATOM 1521 N SER A 114 16.221 -7.667 4.213 1.00 0.00 N ATOM 1522 CA SER A 114 17.015 -8.855 4.505 1.00 0.00 C ATOM 1523 C SER A 114 18.502 -8.586 4.282 1.00 0.00 C ATOM 1524 O SER A 114 19.358 -9.260 4.856 1.00 0.00 O ATOM 1525 CB SER A 114 16.563 -10.022 3.628 1.00 0.00 C ATOM 1526 OG SER A 114 15.256 -10.447 3.978 1.00 0.00 O ATOM 0 H SER A 114 15.794 -7.663 3.287 1.00 0.00 H new ATOM 0 HA SER A 114 16.863 -9.114 5.553 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.583 -9.723 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.260 -10.853 3.735 1.00 0.00 H new ATOM 0 HG SER A 114 14.597 -9.838 3.584 1.00 0.00 H new