USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 83 LYS NZ :NH3+ -161:sc= 0.286! (180deg=0.194) USER MOD Set 1.2: A 84 TYR OH : rot 129:sc= 1.67 USER MOD Single : A 2 SER OG : rot -30:sc= 0.144 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00413 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.34) USER MOD Single : A 35 THR OG1 : rot 72:sc= 1.21 USER MOD Single : A 39 ASN : amide:sc= 0.0113 K(o=0.011,f=-3.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= -0.0961 (180deg=-0.451) USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 1.08 (180deg=1.08) USER MOD Single : A 65 SER OG : rot -150:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 80:sc= -0.142 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 85 SER OG : rot -81:sc= 0.614 USER MOD Single : A 86 SER OG : rot 30:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -10.004 9.399 0.693 1.00 0.00 N ATOM 20 CA SER A 2 -9.118 9.057 1.761 1.00 0.00 C ATOM 21 C SER A 2 -9.706 8.155 2.790 1.00 0.00 C ATOM 22 O SER A 2 -9.066 7.216 3.260 1.00 0.00 O ATOM 23 CB SER A 2 -8.617 10.318 2.485 1.00 0.00 C ATOM 24 OG SER A 2 -9.681 11.191 2.834 1.00 0.00 O ATOM 0 HA SER A 2 -8.304 8.521 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.076 10.028 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.910 10.846 1.845 1.00 0.00 H new ATOM 0 HG SER A 2 -10.409 11.095 2.185 1.00 0.00 H new ATOM 30 N GLN A 3 -10.973 8.369 3.189 1.00 0.00 N ATOM 31 CA GLN A 3 -11.581 7.598 4.229 1.00 0.00 C ATOM 32 C GLN A 3 -11.850 6.193 3.814 1.00 0.00 C ATOM 33 O GLN A 3 -11.647 5.239 4.563 1.00 0.00 O ATOM 34 CB GLN A 3 -12.867 8.264 4.746 1.00 0.00 C ATOM 35 CG GLN A 3 -12.587 9.581 5.472 1.00 0.00 C ATOM 36 CD GLN A 3 -13.868 10.269 5.924 1.00 0.00 C ATOM 37 OE1 GLN A 3 -14.898 9.637 6.156 1.00 0.00 O ATOM 38 NE2 GLN A 3 -13.802 11.620 6.055 1.00 0.00 N ATOM 0 H GLN A 3 -11.581 9.083 2.787 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.860 7.563 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.540 8.449 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.381 7.581 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.954 9.389 6.338 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.031 10.247 4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.930 12.110 5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.624 12.144 6.355 1.00 0.00 H new ATOM 47 N LEU A 4 -12.248 6.018 2.541 1.00 0.00 N ATOM 48 CA LEU A 4 -12.458 4.748 1.919 1.00 0.00 C ATOM 49 C LEU A 4 -11.177 3.997 1.796 1.00 0.00 C ATOM 50 O LEU A 4 -11.099 2.803 2.083 1.00 0.00 O ATOM 51 CB LEU A 4 -12.981 4.901 0.481 1.00 0.00 C ATOM 52 CG LEU A 4 -13.231 3.550 -0.209 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.320 2.726 0.500 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.660 3.767 -1.670 1.00 0.00 C ATOM 0 H LEU A 4 -12.432 6.802 1.915 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.178 4.225 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.908 5.473 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.262 5.475 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.292 2.998 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.460 1.781 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.016 2.529 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.256 3.284 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.833 2.802 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.578 4.355 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.873 4.299 -2.205 1.00 0.00 H new ATOM 66 N PHE A 5 -10.117 4.709 1.372 1.00 0.00 N ATOM 67 CA PHE A 5 -8.769 4.240 1.294 1.00 0.00 C ATOM 68 C PHE A 5 -8.351 3.556 2.550 1.00 0.00 C ATOM 69 O PHE A 5 -7.825 2.445 2.519 1.00 0.00 O ATOM 70 CB PHE A 5 -7.874 5.400 0.828 1.00 0.00 C ATOM 71 CG PHE A 5 -6.452 5.324 1.266 1.00 0.00 C ATOM 72 CD1 PHE A 5 -6.085 5.756 2.519 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.506 4.728 0.465 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.828 5.497 3.015 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.243 4.473 0.942 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.917 4.828 2.231 1.00 0.00 C ATOM 0 H PHE A 5 -10.210 5.677 1.063 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.668 3.454 0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.900 5.442 -0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.300 6.335 1.193 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.793 6.306 3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.759 4.458 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.559 5.816 4.011 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.510 3.996 0.308 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.944 4.581 2.628 1.00 0.00 H new ATOM 86 N GLU A 6 -8.640 4.151 3.722 1.00 0.00 N ATOM 87 CA GLU A 6 -8.227 3.611 4.980 1.00 0.00 C ATOM 88 C GLU A 6 -9.065 2.459 5.418 1.00 0.00 C ATOM 89 O GLU A 6 -8.555 1.491 5.979 1.00 0.00 O ATOM 90 CB GLU A 6 -8.142 4.662 6.100 1.00 0.00 C ATOM 91 CG GLU A 6 -6.759 5.316 6.139 1.00 0.00 C ATOM 92 CD GLU A 6 -6.506 6.134 7.396 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.077 7.250 7.536 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.711 5.672 8.258 1.00 0.00 O ATOM 0 H GLU A 6 -9.168 5.020 3.797 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.216 3.245 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.904 5.425 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.352 4.192 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.997 4.540 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.647 5.961 5.267 1.00 0.00 H new ATOM 101 N GLU A 7 -10.380 2.498 5.137 1.00 0.00 N ATOM 102 CA GLU A 7 -11.297 1.427 5.378 1.00 0.00 C ATOM 103 C GLU A 7 -10.935 0.191 4.629 1.00 0.00 C ATOM 104 O GLU A 7 -10.805 -0.891 5.200 1.00 0.00 O ATOM 105 CB GLU A 7 -12.709 1.912 5.008 1.00 0.00 C ATOM 106 CG GLU A 7 -13.830 0.871 4.978 1.00 0.00 C ATOM 107 CD GLU A 7 -14.239 0.282 6.320 1.00 0.00 C ATOM 108 OE1 GLU A 7 -13.695 0.643 7.398 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.163 -0.573 6.296 1.00 0.00 O ATOM 0 H GLU A 7 -10.825 3.316 4.722 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.258 1.156 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.993 2.691 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.657 2.378 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.709 1.328 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.521 0.054 4.326 1.00 0.00 H new ATOM 116 N LYS A 8 -10.722 0.294 3.305 1.00 0.00 N ATOM 117 CA LYS A 8 -10.441 -0.828 2.464 1.00 0.00 C ATOM 118 C LYS A 8 -9.003 -1.220 2.427 1.00 0.00 C ATOM 119 O LYS A 8 -8.710 -2.383 2.157 1.00 0.00 O ATOM 120 CB LYS A 8 -10.969 -0.611 1.036 1.00 0.00 C ATOM 121 CG LYS A 8 -12.453 -0.252 0.941 1.00 0.00 C ATOM 122 CD LYS A 8 -13.405 -1.303 1.515 1.00 0.00 C ATOM 123 CE LYS A 8 -14.876 -0.912 1.360 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.792 -1.938 1.906 1.00 0.00 N ATOM 0 H LYS A 8 -10.746 1.183 2.805 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.974 -1.660 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.388 0.183 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.793 -1.518 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.618 0.691 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.706 -0.086 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.232 -2.256 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.182 -1.452 2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.053 0.036 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.098 -0.755 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.776 -1.628 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.644 -2.837 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.600 -2.071 2.919 1.00 0.00 H new ATOM 138 N ALA A 9 -8.023 -0.347 2.721 1.00 0.00 N ATOM 139 CA ALA A 9 -6.650 -0.746 2.715 1.00 0.00 C ATOM 140 C ALA A 9 -6.309 -1.716 3.794 1.00 0.00 C ATOM 141 O ALA A 9 -5.685 -2.760 3.611 1.00 0.00 O ATOM 142 CB ALA A 9 -5.718 0.456 2.939 1.00 0.00 C ATOM 0 H ALA A 9 -8.180 0.632 2.962 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.510 -1.205 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.681 0.119 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.870 1.187 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.941 0.915 3.902 1.00 0.00 H new ATOM 148 N LYS A 10 -6.781 -1.366 5.003 1.00 0.00 N ATOM 149 CA LYS A 10 -6.707 -2.165 6.187 1.00 0.00 C ATOM 150 C LYS A 10 -7.561 -3.385 6.134 1.00 0.00 C ATOM 151 O LYS A 10 -7.364 -4.321 6.908 1.00 0.00 O ATOM 152 CB LYS A 10 -7.129 -1.226 7.329 1.00 0.00 C ATOM 153 CG LYS A 10 -6.021 -0.245 7.719 1.00 0.00 C ATOM 154 CD LYS A 10 -6.271 0.438 9.065 1.00 0.00 C ATOM 155 CE LYS A 10 -7.451 1.411 9.074 1.00 0.00 C ATOM 156 NZ LYS A 10 -7.624 1.964 10.435 1.00 0.00 N ATOM 0 H LYS A 10 -7.242 -0.471 5.164 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.699 -2.558 6.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.015 -0.667 7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.407 -1.820 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.070 -0.777 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.928 0.516 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.443 -0.329 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.370 0.977 9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.277 2.217 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.361 0.899 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.426 2.626 10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.809 1.189 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.759 2.467 10.718 1.00 0.00 H new ATOM 170 N ALA A 11 -8.519 -3.452 5.193 1.00 0.00 N ATOM 171 CA ALA A 11 -9.136 -4.683 4.806 1.00 0.00 C ATOM 172 C ALA A 11 -8.169 -5.501 4.020 1.00 0.00 C ATOM 173 O ALA A 11 -7.756 -6.563 4.481 1.00 0.00 O ATOM 174 CB ALA A 11 -10.436 -4.485 4.007 1.00 0.00 C ATOM 0 H ALA A 11 -8.872 -2.637 4.692 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.414 -5.203 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.853 -5.457 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.155 -3.933 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.222 -3.924 3.097 1.00 0.00 H new ATOM 180 N VAL A 12 -7.719 -5.055 2.833 1.00 0.00 N ATOM 181 CA VAL A 12 -7.014 -5.860 1.884 1.00 0.00 C ATOM 182 C VAL A 12 -5.704 -6.374 2.374 1.00 0.00 C ATOM 183 O VAL A 12 -5.310 -7.496 2.059 1.00 0.00 O ATOM 184 CB VAL A 12 -6.871 -5.232 0.530 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.274 -5.029 -0.066 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.073 -3.918 0.554 1.00 0.00 C ATOM 0 H VAL A 12 -7.852 -4.093 2.522 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.667 -6.724 1.763 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.291 -5.906 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.188 -4.573 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.775 -5.993 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.855 -4.377 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.006 -3.515 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.577 -3.198 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.070 -4.108 0.936 1.00 0.00 H new ATOM 196 N ASN A 13 -5.014 -5.618 3.246 1.00 0.00 N ATOM 197 CA ASN A 13 -3.769 -6.053 3.798 1.00 0.00 C ATOM 198 C ASN A 13 -3.906 -7.144 4.805 1.00 0.00 C ATOM 199 O ASN A 13 -2.918 -7.792 5.147 1.00 0.00 O ATOM 200 CB ASN A 13 -2.996 -4.873 4.413 1.00 0.00 C ATOM 201 CG ASN A 13 -2.315 -4.050 3.328 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.203 -4.355 2.900 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.980 -2.959 2.864 1.00 0.00 N ATOM 0 H ASN A 13 -5.320 -4.701 3.570 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.209 -6.466 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.679 -4.241 4.981 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.250 -5.247 5.115 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.558 -2.372 2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.901 -2.727 3.235 1.00 0.00 H new ATOM 210 N GLU A 14 -5.127 -7.403 5.306 1.00 0.00 N ATOM 211 CA GLU A 14 -5.404 -8.401 6.292 1.00 0.00 C ATOM 212 C GLU A 14 -6.641 -9.174 5.988 1.00 0.00 C ATOM 213 O GLU A 14 -7.274 -9.722 6.888 1.00 0.00 O ATOM 214 CB GLU A 14 -5.493 -7.788 7.700 1.00 0.00 C ATOM 215 CG GLU A 14 -4.220 -7.079 8.165 1.00 0.00 C ATOM 216 CD GLU A 14 -4.235 -6.687 9.635 1.00 0.00 C ATOM 217 OE1 GLU A 14 -5.108 -5.883 10.058 1.00 0.00 O ATOM 218 OE2 GLU A 14 -3.357 -7.170 10.399 1.00 0.00 O ATOM 0 H GLU A 14 -5.959 -6.893 5.010 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.566 -9.098 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.318 -7.076 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.735 -8.578 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.365 -7.730 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.074 -6.183 7.562 1.00 0.00 H new ATOM 225 N LEU A 15 -7.037 -9.305 4.709 1.00 0.00 N ATOM 226 CA LEU A 15 -8.150 -10.082 4.258 1.00 0.00 C ATOM 227 C LEU A 15 -7.851 -11.538 4.356 1.00 0.00 C ATOM 228 O LEU A 15 -6.680 -11.885 4.500 1.00 0.00 O ATOM 229 CB LEU A 15 -8.486 -9.695 2.808 1.00 0.00 C ATOM 230 CG LEU A 15 -9.608 -8.662 2.610 1.00 0.00 C ATOM 231 CD1 LEU A 15 -9.810 -8.360 1.116 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.976 -9.034 3.208 1.00 0.00 C ATOM 0 H LEU A 15 -6.550 -8.840 3.943 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.011 -9.875 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.581 -9.307 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.760 -10.602 2.269 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.255 -7.791 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.608 -7.627 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.886 -7.961 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.079 -9.277 0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.690 -8.235 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.332 -9.959 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.877 -9.172 4.285 1.00 0.00 H new ATOM 244 N PRO A 16 -8.754 -12.472 4.298 1.00 0.00 N ATOM 245 CA PRO A 16 -8.414 -13.863 4.369 1.00 0.00 C ATOM 246 C PRO A 16 -7.740 -14.317 3.120 1.00 0.00 C ATOM 247 O PRO A 16 -6.901 -15.215 3.181 1.00 0.00 O ATOM 248 CB PRO A 16 -9.749 -14.573 4.572 1.00 0.00 C ATOM 249 CG PRO A 16 -10.784 -13.666 3.888 1.00 0.00 C ATOM 250 CD PRO A 16 -10.167 -12.264 4.023 1.00 0.00 C ATOM 0 HA PRO A 16 -7.710 -14.076 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.740 -15.568 4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.973 -14.700 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.933 -13.941 2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.757 -13.726 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.306 -11.687 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.643 -11.704 4.828 1.00 0.00 H new ATOM 258 N THR A 17 -8.059 -13.703 1.966 1.00 0.00 N ATOM 259 CA THR A 17 -7.423 -13.950 0.708 1.00 0.00 C ATOM 260 C THR A 17 -6.497 -12.798 0.514 1.00 0.00 C ATOM 261 O THR A 17 -6.776 -11.816 -0.172 1.00 0.00 O ATOM 262 CB THR A 17 -8.432 -14.064 -0.395 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.357 -15.105 -0.116 1.00 0.00 O ATOM 264 CG2 THR A 17 -7.811 -14.398 -1.763 1.00 0.00 C ATOM 0 H THR A 17 -8.796 -13.000 1.907 1.00 0.00 H new ATOM 0 HA THR A 17 -6.883 -14.897 0.694 1.00 0.00 H new ATOM 0 HB THR A 17 -8.908 -13.085 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.010 -15.166 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.599 -14.465 -2.513 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.108 -13.614 -2.044 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.286 -15.351 -1.701 1.00 0.00 H new ATOM 272 N LYS A 18 -5.346 -12.839 1.207 1.00 0.00 N ATOM 273 CA LYS A 18 -4.338 -11.823 1.194 1.00 0.00 C ATOM 274 C LYS A 18 -3.756 -11.515 -0.143 1.00 0.00 C ATOM 275 O LYS A 18 -3.767 -12.395 -1.001 1.00 0.00 O ATOM 276 CB LYS A 18 -3.225 -12.180 2.193 1.00 0.00 C ATOM 277 CG LYS A 18 -3.749 -12.236 3.628 1.00 0.00 C ATOM 278 CD LYS A 18 -2.644 -12.272 4.686 1.00 0.00 C ATOM 279 CE LYS A 18 -3.209 -12.385 6.103 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.139 -12.160 7.100 1.00 0.00 N ATOM 0 H LYS A 18 -5.105 -13.625 1.811 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.849 -10.907 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.792 -13.144 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.426 -11.442 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.384 -11.368 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.377 -13.119 3.742 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.983 -13.117 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.038 -11.369 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.006 -11.655 6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.650 -13.371 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.535 -12.239 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.392 -12.872 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.737 -11.210 6.969 1.00 0.00 H new ATOM 294 N PRO A 19 -3.268 -10.346 -0.437 1.00 0.00 N ATOM 295 CA PRO A 19 -3.053 -9.912 -1.788 1.00 0.00 C ATOM 296 C PRO A 19 -1.979 -10.676 -2.481 1.00 0.00 C ATOM 297 O PRO A 19 -0.952 -10.956 -1.866 1.00 0.00 O ATOM 298 CB PRO A 19 -2.684 -8.434 -1.693 1.00 0.00 C ATOM 299 CG PRO A 19 -3.203 -7.989 -0.315 1.00 0.00 C ATOM 300 CD PRO A 19 -3.008 -9.272 0.509 1.00 0.00 C ATOM 0 HA PRO A 19 -3.951 -10.081 -2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.607 -8.289 -1.776 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.146 -7.858 -2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.634 -7.151 0.088 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.247 -7.678 -0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.999 -9.335 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.695 -9.311 1.354 1.00 0.00 H new ATOM 308 N SER A 20 -2.152 -11.065 -3.757 1.00 0.00 N ATOM 309 CA SER A 20 -1.190 -11.860 -4.456 1.00 0.00 C ATOM 310 C SER A 20 0.061 -11.118 -4.775 1.00 0.00 C ATOM 311 O SER A 20 0.096 -9.889 -4.748 1.00 0.00 O ATOM 312 CB SER A 20 -1.765 -12.511 -5.725 1.00 0.00 C ATOM 313 OG SER A 20 -0.943 -13.578 -6.175 1.00 0.00 O ATOM 0 H SER A 20 -2.973 -10.824 -4.312 1.00 0.00 H new ATOM 0 HA SER A 20 -0.929 -12.657 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.769 -12.883 -5.522 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.855 -11.762 -6.512 1.00 0.00 H new ATOM 0 HG SER A 20 -1.334 -13.974 -6.982 1.00 0.00 H new ATOM 319 N THR A 21 1.167 -11.829 -5.059 1.00 0.00 N ATOM 320 CA THR A 21 2.519 -11.371 -4.960 1.00 0.00 C ATOM 321 C THR A 21 2.844 -10.118 -5.698 1.00 0.00 C ATOM 322 O THR A 21 3.349 -9.154 -5.124 1.00 0.00 O ATOM 323 CB THR A 21 3.521 -12.416 -5.354 1.00 0.00 C ATOM 324 OG1 THR A 21 3.203 -13.669 -4.765 1.00 0.00 O ATOM 325 CG2 THR A 21 4.922 -12.047 -4.840 1.00 0.00 C ATOM 0 H THR A 21 1.111 -12.795 -5.382 1.00 0.00 H new ATOM 0 HA THR A 21 2.595 -11.145 -3.896 1.00 0.00 H new ATOM 0 HB THR A 21 3.500 -12.475 -6.442 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.868 -14.336 -5.036 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.633 -12.818 -5.137 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.225 -11.090 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.902 -11.971 -3.753 1.00 0.00 H new ATOM 333 N ASP A 22 2.550 -10.062 -7.009 1.00 0.00 N ATOM 334 CA ASP A 22 2.816 -8.936 -7.849 1.00 0.00 C ATOM 335 C ASP A 22 1.811 -7.847 -7.699 1.00 0.00 C ATOM 336 O ASP A 22 2.049 -6.704 -8.085 1.00 0.00 O ATOM 337 CB ASP A 22 2.875 -9.380 -9.321 1.00 0.00 C ATOM 338 CG ASP A 22 4.112 -10.223 -9.595 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.141 -11.432 -9.246 1.00 0.00 O ATOM 340 OD2 ASP A 22 5.074 -9.668 -10.192 1.00 0.00 O ATOM 0 H ASP A 22 2.107 -10.836 -7.505 1.00 0.00 H new ATOM 0 HA ASP A 22 3.778 -8.532 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.980 -9.952 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.880 -8.503 -9.968 1.00 0.00 H new ATOM 345 N GLU A 23 0.642 -8.150 -7.105 1.00 0.00 N ATOM 346 CA GLU A 23 -0.448 -7.247 -6.900 1.00 0.00 C ATOM 347 C GLU A 23 -0.216 -6.457 -5.658 1.00 0.00 C ATOM 348 O GLU A 23 -0.333 -5.233 -5.642 1.00 0.00 O ATOM 349 CB GLU A 23 -1.797 -7.982 -6.841 1.00 0.00 C ATOM 350 CG GLU A 23 -2.050 -8.838 -8.084 1.00 0.00 C ATOM 351 CD GLU A 23 -3.441 -9.447 -8.194 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.390 -9.070 -7.456 1.00 0.00 O ATOM 353 OE2 GLU A 23 -3.619 -10.319 -9.085 1.00 0.00 O ATOM 0 H GLU A 23 0.447 -9.085 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.495 -6.569 -7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.824 -8.616 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.601 -7.253 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.871 -8.225 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.318 -9.645 -8.102 1.00 0.00 H new ATOM 360 N LEU A 24 0.202 -7.138 -4.575 1.00 0.00 N ATOM 361 CA LEU A 24 0.644 -6.634 -3.312 1.00 0.00 C ATOM 362 C LEU A 24 1.649 -5.535 -3.374 1.00 0.00 C ATOM 363 O LEU A 24 1.636 -4.624 -2.547 1.00 0.00 O ATOM 364 CB LEU A 24 1.235 -7.836 -2.556 1.00 0.00 C ATOM 365 CG LEU A 24 1.716 -7.609 -1.114 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.645 -6.961 -0.219 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.126 -8.977 -0.542 1.00 0.00 C ATOM 0 H LEU A 24 0.232 -8.157 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.214 -6.180 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.482 -8.624 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.078 -8.214 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 24 2.555 -6.913 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.044 -6.826 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.364 -5.992 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.233 -7.605 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.474 -8.853 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.268 -9.649 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.927 -9.400 -1.148 1.00 0.00 H new ATOM 379 N LEU A 25 2.555 -5.534 -4.367 1.00 0.00 N ATOM 380 CA LEU A 25 3.541 -4.508 -4.509 1.00 0.00 C ATOM 381 C LEU A 25 2.993 -3.210 -4.995 1.00 0.00 C ATOM 382 O LEU A 25 3.365 -2.138 -4.519 1.00 0.00 O ATOM 383 CB LEU A 25 4.720 -5.042 -5.340 1.00 0.00 C ATOM 384 CG LEU A 25 4.808 -4.652 -6.826 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.471 -3.275 -7.005 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.594 -5.722 -7.600 1.00 0.00 C ATOM 0 H LEU A 25 2.604 -6.258 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 25 3.917 -4.257 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.641 -4.716 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.699 -6.130 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 25 3.794 -4.589 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.518 -3.029 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.885 -2.519 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.480 -3.301 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.653 -5.441 -8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.600 -5.803 -7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.087 -6.683 -7.509 1.00 0.00 H new ATOM 398 N GLU A 26 2.046 -3.241 -5.949 1.00 0.00 N ATOM 399 CA GLU A 26 1.391 -2.080 -6.467 1.00 0.00 C ATOM 400 C GLU A 26 0.443 -1.547 -5.448 1.00 0.00 C ATOM 401 O GLU A 26 0.331 -0.347 -5.204 1.00 0.00 O ATOM 402 CB GLU A 26 0.651 -2.436 -7.767 1.00 0.00 C ATOM 403 CG GLU A 26 -0.047 -1.247 -8.431 1.00 0.00 C ATOM 404 CD GLU A 26 -0.655 -1.581 -9.786 1.00 0.00 C ATOM 405 OE1 GLU A 26 -0.452 -2.707 -10.314 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.349 -0.697 -10.355 1.00 0.00 O ATOM 0 H GLU A 26 1.724 -4.109 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 26 2.130 -1.311 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.362 -2.867 -8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.090 -3.206 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.832 -0.881 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.671 -0.436 -8.553 1.00 0.00 H new ATOM 413 N LEU A 27 -0.227 -2.474 -4.739 1.00 0.00 N ATOM 414 CA LEU A 27 -1.062 -2.221 -3.606 1.00 0.00 C ATOM 415 C LEU A 27 -0.333 -1.534 -2.504 1.00 0.00 C ATOM 416 O LEU A 27 -0.816 -0.524 -1.993 1.00 0.00 O ATOM 417 CB LEU A 27 -1.703 -3.559 -3.204 1.00 0.00 C ATOM 418 CG LEU A 27 -2.792 -3.543 -2.118 1.00 0.00 C ATOM 419 CD1 LEU A 27 -2.182 -3.577 -0.706 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.772 -2.376 -2.328 1.00 0.00 C ATOM 0 H LEU A 27 -0.181 -3.466 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.853 -1.515 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.133 -4.006 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.906 -4.223 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.380 -4.456 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.981 -3.565 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.590 -4.485 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.542 -2.706 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.530 -2.392 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.228 -1.432 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.254 -2.476 -3.301 1.00 0.00 H new ATOM 432 N TYR A 28 0.876 -1.996 -2.138 1.00 0.00 N ATOM 433 CA TYR A 28 1.814 -1.365 -1.262 1.00 0.00 C ATOM 434 C TYR A 28 2.087 0.051 -1.637 1.00 0.00 C ATOM 435 O TYR A 28 1.863 0.936 -0.812 1.00 0.00 O ATOM 436 CB TYR A 28 3.111 -2.184 -1.155 1.00 0.00 C ATOM 437 CG TYR A 28 4.229 -1.597 -0.363 1.00 0.00 C ATOM 438 CD1 TYR A 28 5.023 -0.618 -0.912 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.555 -2.082 0.881 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.106 -0.106 -0.237 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.677 -1.634 1.537 1.00 0.00 C ATOM 442 CZ TYR A 28 6.455 -0.648 0.978 1.00 0.00 C ATOM 443 OH TYR A 28 7.633 -0.236 1.636 1.00 0.00 O ATOM 0 H TYR A 28 1.226 -2.889 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 28 1.353 -1.336 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.863 -3.153 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.476 -2.371 -2.165 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.790 -0.242 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.923 -2.823 1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.675 0.711 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.948 -2.057 2.493 1.00 0.00 H new ATOM 0 HH TYR A 28 7.722 -0.722 2.482 1.00 0.00 H new ATOM 453 N ALA A 29 2.560 0.336 -2.863 1.00 0.00 N ATOM 454 CA ALA A 29 2.896 1.647 -3.326 1.00 0.00 C ATOM 455 C ALA A 29 1.850 2.678 -3.080 1.00 0.00 C ATOM 456 O ALA A 29 2.107 3.740 -2.513 1.00 0.00 O ATOM 457 CB ALA A 29 3.247 1.579 -4.822 1.00 0.00 C ATOM 0 H ALA A 29 2.716 -0.385 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 29 3.755 1.972 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.504 2.576 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.096 0.911 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.390 1.202 -5.380 1.00 0.00 H new ATOM 463 N LEU A 30 0.594 2.365 -3.443 1.00 0.00 N ATOM 464 CA LEU A 30 -0.513 3.253 -3.270 1.00 0.00 C ATOM 465 C LEU A 30 -1.002 3.342 -1.866 1.00 0.00 C ATOM 466 O LEU A 30 -1.329 4.419 -1.370 1.00 0.00 O ATOM 467 CB LEU A 30 -1.642 2.805 -4.215 1.00 0.00 C ATOM 468 CG LEU A 30 -1.448 3.219 -5.683 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.612 4.739 -5.843 1.00 0.00 C ATOM 470 CD2 LEU A 30 -0.207 2.718 -6.442 1.00 0.00 C ATOM 0 H LEU A 30 0.341 1.473 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.173 4.259 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.730 1.720 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.584 3.218 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.247 2.670 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.471 5.012 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.612 5.033 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.870 5.251 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.225 3.101 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.694 3.069 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.209 1.628 -6.464 1.00 0.00 H new ATOM 482 N TYR A 31 -1.028 2.204 -1.149 1.00 0.00 N ATOM 483 CA TYR A 31 -1.339 2.126 0.244 1.00 0.00 C ATOM 484 C TYR A 31 -0.443 2.986 1.068 1.00 0.00 C ATOM 485 O TYR A 31 -0.869 3.929 1.733 1.00 0.00 O ATOM 486 CB TYR A 31 -1.304 0.681 0.769 1.00 0.00 C ATOM 487 CG TYR A 31 -1.602 0.596 2.227 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.577 1.363 2.821 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.795 -0.193 3.011 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.782 1.308 4.179 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.006 -0.267 4.368 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.010 0.471 4.950 1.00 0.00 C ATOM 493 OH TYR A 31 -2.230 0.427 6.342 1.00 0.00 O ATOM 0 H TYR A 31 -0.822 1.294 -1.562 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.358 2.499 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.027 0.080 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.321 0.252 0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.188 2.015 2.214 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.008 -0.757 2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.545 1.919 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.383 -0.905 4.977 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.609 -0.211 6.751 1.00 0.00 H new ATOM 503 N LYS A 32 0.871 2.703 1.045 1.00 0.00 N ATOM 504 CA LYS A 32 1.904 3.456 1.686 1.00 0.00 C ATOM 505 C LYS A 32 1.894 4.889 1.280 1.00 0.00 C ATOM 506 O LYS A 32 2.058 5.763 2.129 1.00 0.00 O ATOM 507 CB LYS A 32 3.275 2.789 1.489 1.00 0.00 C ATOM 508 CG LYS A 32 3.389 1.357 2.019 1.00 0.00 C ATOM 509 CD LYS A 32 3.135 1.150 3.513 1.00 0.00 C ATOM 510 CE LYS A 32 3.881 2.144 4.405 1.00 0.00 C ATOM 511 NZ LYS A 32 3.947 1.672 5.806 1.00 0.00 N ATOM 0 H LYS A 32 1.236 1.893 0.544 1.00 0.00 H new ATOM 0 HA LYS A 32 1.699 3.454 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.509 2.784 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.032 3.401 1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.686 0.734 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.389 0.989 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.065 1.233 3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.430 0.137 3.786 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.891 2.292 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.382 3.112 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.459 2.369 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.983 1.555 6.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.445 0.760 5.842 1.00 0.00 H new ATOM 525 N GLN A 33 1.594 5.199 0.005 1.00 0.00 N ATOM 526 CA GLN A 33 1.413 6.540 -0.458 1.00 0.00 C ATOM 527 C GLN A 33 0.420 7.368 0.283 1.00 0.00 C ATOM 528 O GLN A 33 0.776 8.403 0.842 1.00 0.00 O ATOM 529 CB GLN A 33 1.109 6.695 -1.958 1.00 0.00 C ATOM 530 CG GLN A 33 2.315 7.197 -2.754 1.00 0.00 C ATOM 531 CD GLN A 33 3.044 8.401 -2.176 1.00 0.00 C ATOM 532 OE1 GLN A 33 4.241 8.350 -1.898 1.00 0.00 O ATOM 533 NE2 GLN A 33 2.315 9.524 -1.931 1.00 0.00 N ATOM 0 H GLN A 33 1.474 4.496 -0.724 1.00 0.00 H new ATOM 0 HA GLN A 33 2.413 6.921 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.787 5.735 -2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.279 7.389 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.028 6.378 -2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.981 7.449 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.323 9.550 -2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.761 10.340 -1.511 1.00 0.00 H new ATOM 542 N ALA A 34 -0.869 6.986 0.339 1.00 0.00 N ATOM 543 CA ALA A 34 -1.845 7.782 1.017 1.00 0.00 C ATOM 544 C ALA A 34 -1.869 7.536 2.487 1.00 0.00 C ATOM 545 O ALA A 34 -2.483 8.294 3.236 1.00 0.00 O ATOM 546 CB ALA A 34 -3.240 7.670 0.379 1.00 0.00 C ATOM 0 H ALA A 34 -1.234 6.132 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.531 8.818 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.944 8.293 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.194 8.005 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.572 6.632 0.410 1.00 0.00 H new ATOM 552 N THR A 35 -1.143 6.518 2.978 1.00 0.00 N ATOM 553 CA THR A 35 -0.862 6.351 4.371 1.00 0.00 C ATOM 554 C THR A 35 -0.026 7.469 4.891 1.00 0.00 C ATOM 555 O THR A 35 -0.490 8.271 5.700 1.00 0.00 O ATOM 556 CB THR A 35 -0.196 5.045 4.687 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.089 3.971 4.431 1.00 0.00 O ATOM 558 CG2 THR A 35 0.155 4.929 6.179 1.00 0.00 C ATOM 0 H THR A 35 -0.739 5.789 2.390 1.00 0.00 H new ATOM 0 HA THR A 35 -1.832 6.355 4.867 1.00 0.00 H new ATOM 0 HB THR A 35 0.702 5.003 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.199 3.861 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.636 3.969 6.366 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.834 5.735 6.457 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.756 5.001 6.774 1.00 0.00 H new ATOM 566 N VAL A 36 1.244 7.588 4.465 1.00 0.00 N ATOM 567 CA VAL A 36 2.107 8.639 4.905 1.00 0.00 C ATOM 568 C VAL A 36 2.001 9.878 4.083 1.00 0.00 C ATOM 569 O VAL A 36 1.745 10.960 4.608 1.00 0.00 O ATOM 570 CB VAL A 36 3.529 8.202 5.096 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.630 7.368 6.386 1.00 0.00 C ATOM 572 CG2 VAL A 36 4.032 7.337 3.928 1.00 0.00 C ATOM 0 H VAL A 36 1.679 6.944 3.804 1.00 0.00 H new ATOM 0 HA VAL A 36 1.737 8.904 5.896 1.00 0.00 H new ATOM 0 HB VAL A 36 4.143 9.101 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.661 7.047 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.315 7.973 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.985 6.493 6.305 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.066 7.045 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.412 6.445 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.975 7.908 3.001 1.00 0.00 H new ATOM 582 N GLY A 37 2.170 9.793 2.752 1.00 0.00 N ATOM 583 CA GLY A 37 2.132 10.893 1.838 1.00 0.00 C ATOM 584 C GLY A 37 3.377 11.036 1.032 1.00 0.00 C ATOM 585 O GLY A 37 3.334 11.544 -0.087 1.00 0.00 O ATOM 0 H GLY A 37 2.344 8.903 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.284 10.767 1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.961 11.814 2.396 1.00 0.00 H new ATOM 589 N ASP A 38 4.526 10.608 1.584 1.00 0.00 N ATOM 590 CA ASP A 38 5.790 10.587 0.914 1.00 0.00 C ATOM 591 C ASP A 38 6.287 9.184 0.855 1.00 0.00 C ATOM 592 O ASP A 38 5.762 8.309 1.542 1.00 0.00 O ATOM 593 CB ASP A 38 6.831 11.388 1.713 1.00 0.00 C ATOM 594 CG ASP A 38 6.426 12.849 1.860 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.492 13.594 0.847 1.00 0.00 O ATOM 596 OD2 ASP A 38 6.071 13.270 2.993 1.00 0.00 O ATOM 0 H ASP A 38 4.577 10.260 2.542 1.00 0.00 H new ATOM 0 HA ASP A 38 5.657 11.013 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.953 10.943 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.798 11.327 1.214 1.00 0.00 H new ATOM 601 N ASN A 39 7.379 8.906 0.121 1.00 0.00 N ATOM 602 CA ASN A 39 8.155 7.715 0.278 1.00 0.00 C ATOM 603 C ASN A 39 8.967 7.736 1.528 1.00 0.00 C ATOM 604 O ASN A 39 10.189 7.871 1.540 1.00 0.00 O ATOM 605 CB ASN A 39 8.984 7.387 -0.975 1.00 0.00 C ATOM 606 CG ASN A 39 10.028 8.435 -1.331 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.892 9.639 -1.117 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.156 7.965 -1.928 1.00 0.00 N ATOM 0 H ASN A 39 7.733 9.529 -0.605 1.00 0.00 H new ATOM 0 HA ASN A 39 7.451 6.891 0.390 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.484 6.430 -0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.308 7.264 -1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.896 8.612 -2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.262 6.966 -2.102 1.00 0.00 H new ATOM 615 N ASP A 40 8.286 7.631 2.683 1.00 0.00 N ATOM 616 CA ASP A 40 8.808 8.023 3.955 1.00 0.00 C ATOM 617 C ASP A 40 9.740 7.037 4.570 1.00 0.00 C ATOM 618 O ASP A 40 10.776 7.398 5.125 1.00 0.00 O ATOM 619 CB ASP A 40 7.616 8.363 4.866 1.00 0.00 C ATOM 620 CG ASP A 40 7.999 9.392 5.920 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.633 9.019 6.943 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.677 10.594 5.723 1.00 0.00 O ATOM 0 H ASP A 40 7.337 7.260 2.733 1.00 0.00 H new ATOM 0 HA ASP A 40 9.439 8.900 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.793 8.746 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.258 7.456 5.354 1.00 0.00 H new ATOM 627 N LYS A 41 9.439 5.726 4.506 1.00 0.00 N ATOM 628 CA LYS A 41 10.208 4.753 5.218 1.00 0.00 C ATOM 629 C LYS A 41 11.410 4.302 4.462 1.00 0.00 C ATOM 630 O LYS A 41 11.439 3.218 3.882 1.00 0.00 O ATOM 631 CB LYS A 41 9.342 3.519 5.518 1.00 0.00 C ATOM 632 CG LYS A 41 8.046 3.800 6.281 1.00 0.00 C ATOM 633 CD LYS A 41 8.242 4.216 7.740 1.00 0.00 C ATOM 634 CE LYS A 41 8.403 5.718 7.993 1.00 0.00 C ATOM 635 NZ LYS A 41 8.644 5.960 9.432 1.00 0.00 N ATOM 0 H LYS A 41 8.666 5.342 3.963 1.00 0.00 H new ATOM 0 HA LYS A 41 10.542 5.235 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.091 3.034 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.937 2.809 6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.499 4.587 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.422 2.907 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.388 3.860 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.124 3.706 8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.234 6.108 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.507 6.249 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.753 6.981 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.838 5.603 9.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.511 5.467 9.727 1.00 0.00 H new ATOM 649 N GLU A 42 12.495 5.095 4.520 1.00 0.00 N ATOM 650 CA GLU A 42 13.662 4.930 3.710 1.00 0.00 C ATOM 651 C GLU A 42 14.632 3.942 4.261 1.00 0.00 C ATOM 652 O GLU A 42 15.841 4.157 4.331 1.00 0.00 O ATOM 653 CB GLU A 42 14.297 6.314 3.492 1.00 0.00 C ATOM 654 CG GLU A 42 15.115 6.451 2.204 1.00 0.00 C ATOM 655 CD GLU A 42 15.698 7.853 2.108 1.00 0.00 C ATOM 656 OE1 GLU A 42 14.920 8.823 1.909 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.939 8.000 2.266 1.00 0.00 O ATOM 0 H GLU A 42 12.562 5.886 5.160 1.00 0.00 H new ATOM 0 HA GLU A 42 13.363 4.505 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.506 7.064 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.942 6.540 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.917 5.713 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.483 6.250 1.339 1.00 0.00 H new ATOM 664 N LYS A 43 14.114 2.762 4.650 1.00 0.00 N ATOM 665 CA LYS A 43 14.875 1.608 5.016 1.00 0.00 C ATOM 666 C LYS A 43 14.040 0.400 4.762 1.00 0.00 C ATOM 667 O LYS A 43 13.275 -0.017 5.630 1.00 0.00 O ATOM 668 CB LYS A 43 15.347 1.645 6.479 1.00 0.00 C ATOM 669 CG LYS A 43 16.311 0.515 6.841 1.00 0.00 C ATOM 670 CD LYS A 43 16.987 0.705 8.200 1.00 0.00 C ATOM 671 CE LYS A 43 18.015 -0.386 8.512 1.00 0.00 C ATOM 672 NZ LYS A 43 18.810 -0.028 9.708 1.00 0.00 N ATOM 0 H LYS A 43 13.108 2.606 4.712 1.00 0.00 H new ATOM 0 HA LYS A 43 15.781 1.584 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 43 15.833 2.601 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.477 1.593 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.767 -0.430 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.077 0.440 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 43 17.479 1.678 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.226 0.714 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.506 -1.335 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.677 -0.524 7.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.501 -0.780 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.311 0.867 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.177 0.081 10.526 1.00 0.00 H new ATOM 878 N TRP A 55 9.303 -0.740 -2.585 1.00 0.00 N ATOM 879 CA TRP A 55 9.778 0.575 -2.285 1.00 0.00 C ATOM 880 C TRP A 55 10.117 1.371 -3.497 1.00 0.00 C ATOM 881 O TRP A 55 9.943 2.588 -3.525 1.00 0.00 O ATOM 882 CB TRP A 55 10.921 0.509 -1.257 1.00 0.00 C ATOM 883 CG TRP A 55 10.971 1.707 -0.339 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.248 1.950 0.793 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.700 2.917 -0.617 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.351 3.269 1.144 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.282 3.864 0.326 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.615 3.239 -1.581 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.790 5.134 0.305 1.00 0.00 C ATOM 890 CZ3 TRP A 55 13.113 4.521 -1.593 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.718 5.449 -0.659 1.00 0.00 C ATOM 0 HA TRP A 55 8.956 1.126 -1.827 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.809 -0.394 -0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.871 0.425 -1.785 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.677 1.209 1.333 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.826 3.732 1.886 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.936 2.510 -2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.470 5.870 1.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.828 4.804 -2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 55 13.144 6.441 -0.683 1.00 0.00 H new ATOM 902 N GLU A 56 10.536 0.728 -4.603 1.00 0.00 N ATOM 903 CA GLU A 56 10.805 1.315 -5.877 1.00 0.00 C ATOM 904 C GLU A 56 9.563 1.777 -6.558 1.00 0.00 C ATOM 905 O GLU A 56 9.513 2.839 -7.177 1.00 0.00 O ATOM 906 CB GLU A 56 11.474 0.255 -6.769 1.00 0.00 C ATOM 907 CG GLU A 56 11.834 0.676 -8.195 1.00 0.00 C ATOM 908 CD GLU A 56 12.205 -0.550 -9.017 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.371 -1.021 -8.930 1.00 0.00 O ATOM 910 OE2 GLU A 56 11.322 -1.057 -9.760 1.00 0.00 O ATOM 0 H GLU A 56 10.698 -0.279 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 56 11.448 2.180 -5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.386 -0.078 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.810 -0.607 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.991 1.192 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.667 1.379 -8.177 1.00 0.00 H new ATOM 917 N ALA A 57 8.474 0.994 -6.444 1.00 0.00 N ATOM 918 CA ALA A 57 7.188 1.335 -6.966 1.00 0.00 C ATOM 919 C ALA A 57 6.564 2.469 -6.227 1.00 0.00 C ATOM 920 O ALA A 57 5.769 3.230 -6.777 1.00 0.00 O ATOM 921 CB ALA A 57 6.260 0.111 -6.911 1.00 0.00 C ATOM 0 H ALA A 57 8.491 0.091 -5.971 1.00 0.00 H new ATOM 0 HA ALA A 57 7.329 1.651 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.282 0.378 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.687 -0.696 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.153 -0.218 -5.877 1.00 0.00 H new ATOM 927 N TRP A 58 6.961 2.626 -4.951 1.00 0.00 N ATOM 928 CA TRP A 58 6.570 3.670 -4.056 1.00 0.00 C ATOM 929 C TRP A 58 7.318 4.929 -4.325 1.00 0.00 C ATOM 930 O TRP A 58 6.741 6.010 -4.431 1.00 0.00 O ATOM 931 CB TRP A 58 6.758 3.181 -2.609 1.00 0.00 C ATOM 932 CG TRP A 58 6.061 4.013 -1.559 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.036 4.899 -1.728 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.370 4.006 -0.152 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.749 5.524 -0.542 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.568 4.996 0.427 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.227 3.251 0.599 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.666 5.247 1.769 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.254 3.471 1.956 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.496 4.463 2.533 1.00 0.00 C ATOM 0 H TRP A 58 7.607 1.969 -4.512 1.00 0.00 H new ATOM 0 HA TRP A 58 5.518 3.907 -4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.396 2.155 -2.538 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.824 3.159 -2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.525 5.081 -2.662 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.050 6.253 -0.403 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.862 2.506 0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.100 6.049 2.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.882 2.853 2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.554 4.628 3.599 1.00 0.00 H new ATOM 951 N GLU A 59 8.647 4.846 -4.520 1.00 0.00 N ATOM 952 CA GLU A 59 9.561 5.871 -4.919 1.00 0.00 C ATOM 953 C GLU A 59 9.234 6.490 -6.235 1.00 0.00 C ATOM 954 O GLU A 59 9.596 7.625 -6.536 1.00 0.00 O ATOM 955 CB GLU A 59 10.983 5.287 -4.948 1.00 0.00 C ATOM 956 CG GLU A 59 12.124 6.304 -5.018 1.00 0.00 C ATOM 957 CD GLU A 59 13.383 5.726 -5.647 1.00 0.00 C ATOM 958 OE1 GLU A 59 14.020 4.799 -5.079 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.769 6.235 -6.734 1.00 0.00 O ATOM 0 H GLU A 59 9.131 3.959 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 59 9.483 6.673 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.122 4.676 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.063 4.621 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.799 7.170 -5.594 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.353 6.657 -4.013 1.00 0.00 H new ATOM 966 N ASN A 60 8.453 5.793 -7.080 1.00 0.00 N ATOM 967 CA ASN A 60 7.847 6.314 -8.267 1.00 0.00 C ATOM 968 C ASN A 60 6.901 7.435 -8.006 1.00 0.00 C ATOM 969 O ASN A 60 6.715 8.319 -8.841 1.00 0.00 O ATOM 970 CB ASN A 60 7.093 5.178 -8.978 1.00 0.00 C ATOM 971 CG ASN A 60 6.975 5.414 -10.477 1.00 0.00 C ATOM 972 OD1 ASN A 60 5.922 5.712 -11.039 1.00 0.00 O ATOM 973 ND2 ASN A 60 8.131 5.236 -11.172 1.00 0.00 N ATOM 0 H ASN A 60 8.232 4.809 -6.926 1.00 0.00 H new ATOM 0 HA ASN A 60 8.649 6.715 -8.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.610 4.235 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.096 5.081 -8.548 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.139 5.349 -12.186 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.989 4.989 -10.679 1.00 0.00 H new ATOM 980 N LEU A 61 6.253 7.431 -6.827 1.00 0.00 N ATOM 981 CA LEU A 61 5.200 8.331 -6.471 1.00 0.00 C ATOM 982 C LEU A 61 5.589 9.269 -5.380 1.00 0.00 C ATOM 983 O LEU A 61 4.745 10.001 -4.868 1.00 0.00 O ATOM 984 CB LEU A 61 3.979 7.536 -5.980 1.00 0.00 C ATOM 985 CG LEU A 61 3.524 6.412 -6.926 1.00 0.00 C ATOM 986 CD1 LEU A 61 2.315 5.727 -6.266 1.00 0.00 C ATOM 987 CD2 LEU A 61 3.156 6.934 -8.325 1.00 0.00 C ATOM 0 H LEU A 61 6.475 6.767 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 61 4.973 8.908 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.211 7.102 -5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.149 8.226 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 61 4.344 5.710 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.959 4.920 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.611 5.319 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.517 6.456 -6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.842 6.101 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.341 7.653 -8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.024 7.419 -8.772 1.00 0.00 H new ATOM 999 N LYS A 62 6.889 9.274 -5.037 1.00 0.00 N ATOM 1000 CA LYS A 62 7.579 9.799 -3.899 1.00 0.00 C ATOM 1001 C LYS A 62 7.071 10.946 -3.097 1.00 0.00 C ATOM 1002 O LYS A 62 7.302 10.978 -1.889 1.00 0.00 O ATOM 1003 CB LYS A 62 9.011 10.134 -4.351 1.00 0.00 C ATOM 1004 CG LYS A 62 9.075 11.107 -5.530 1.00 0.00 C ATOM 1005 CD LYS A 62 10.452 11.126 -6.196 1.00 0.00 C ATOM 1006 CE LYS A 62 11.523 11.939 -5.466 1.00 0.00 C ATOM 1007 NZ LYS A 62 11.101 13.353 -5.344 1.00 0.00 N ATOM 0 H LYS A 62 7.560 8.835 -5.667 1.00 0.00 H new ATOM 0 HA LYS A 62 7.439 8.990 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.557 10.561 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.521 9.211 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.322 10.830 -6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.828 12.110 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.804 10.099 -6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.343 11.523 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.697 11.518 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.467 11.880 -6.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.932 13.948 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.654 13.660 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.420 13.446 -4.563 1.00 0.00 H new ATOM 1021 N GLY A 63 6.389 11.960 -3.658 1.00 0.00 N ATOM 1022 CA GLY A 63 5.738 12.911 -2.811 1.00 0.00 C ATOM 1023 C GLY A 63 4.644 13.660 -3.489 1.00 0.00 C ATOM 1024 O GLY A 63 4.442 14.832 -3.174 1.00 0.00 O ATOM 0 H GLY A 63 6.289 12.120 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.329 12.393 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.477 13.621 -2.439 1.00 0.00 H new ATOM 1028 N LYS A 64 3.919 13.041 -4.438 1.00 0.00 N ATOM 1029 CA LYS A 64 2.794 13.684 -5.044 1.00 0.00 C ATOM 1030 C LYS A 64 1.542 12.941 -4.726 1.00 0.00 C ATOM 1031 O LYS A 64 0.500 13.500 -4.384 1.00 0.00 O ATOM 1032 CB LYS A 64 2.984 13.907 -6.554 1.00 0.00 C ATOM 1033 CG LYS A 64 2.588 12.779 -7.509 1.00 0.00 C ATOM 1034 CD LYS A 64 2.840 13.134 -8.975 1.00 0.00 C ATOM 1035 CE LYS A 64 2.252 12.127 -9.966 1.00 0.00 C ATOM 1036 NZ LYS A 64 0.778 12.233 -10.059 1.00 0.00 N ATOM 0 H LYS A 64 4.110 12.101 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 64 2.707 14.682 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.415 14.794 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.036 14.135 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.149 11.879 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.532 12.546 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.418 14.118 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.915 13.208 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.690 12.290 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.524 11.117 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.420 11.522 -10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.358 12.069 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.519 13.183 -10.392 1.00 0.00 H new ATOM 1050 N SER A 65 1.599 11.600 -4.814 1.00 0.00 N ATOM 1051 CA SER A 65 0.414 10.807 -4.922 1.00 0.00 C ATOM 1052 C SER A 65 -0.179 10.430 -3.607 1.00 0.00 C ATOM 1053 O SER A 65 -0.601 9.288 -3.434 1.00 0.00 O ATOM 1054 CB SER A 65 0.656 9.502 -5.698 1.00 0.00 C ATOM 1055 OG SER A 65 1.116 9.789 -7.010 1.00 0.00 O ATOM 0 H SER A 65 2.467 11.064 -4.810 1.00 0.00 H new ATOM 0 HA SER A 65 -0.281 11.454 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.389 8.889 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.266 8.923 -5.747 1.00 0.00 H new ATOM 0 HG SER A 65 0.826 9.080 -7.621 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.336 11.335 -2.625 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.271 11.166 -1.557 1.00 0.00 C ATOM 1063 C GLN A 66 -2.637 11.416 -2.097 1.00 0.00 C ATOM 1064 O GLN A 66 -3.607 10.732 -1.775 1.00 0.00 O ATOM 1065 CB GLN A 66 -0.935 12.236 -0.503 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.903 12.188 0.681 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.527 13.145 1.803 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.931 14.307 1.827 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -0.714 12.647 2.772 1.00 0.00 N ATOM 0 H GLN A 66 0.198 12.202 -2.572 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.226 10.167 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.084 12.088 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.971 13.224 -0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.907 12.426 0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.935 11.172 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.396 11.679 2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.422 13.241 3.548 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.692 12.416 -2.995 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.816 12.973 -3.682 1.00 0.00 C ATOM 1080 C GLU A 67 -4.306 12.026 -4.724 1.00 0.00 C ATOM 1081 O GLU A 67 -5.504 11.773 -4.847 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.371 14.274 -4.369 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.814 15.322 -3.403 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.249 16.540 -4.120 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.962 17.157 -4.955 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.087 16.921 -3.817 1.00 0.00 O ATOM 0 H GLU A 67 -1.834 12.893 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.617 13.164 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.611 14.039 -5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.220 14.701 -4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.604 15.640 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.032 14.869 -2.793 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.373 11.445 -5.498 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.677 10.434 -6.463 1.00 0.00 C ATOM 1095 C ASP A 68 -3.956 9.121 -5.817 1.00 0.00 C ATOM 1096 O ASP A 68 -4.969 8.514 -6.157 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.550 10.249 -7.491 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.359 11.532 -8.289 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.335 11.977 -8.951 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.233 12.097 -8.273 1.00 0.00 O ATOM 0 H ASP A 68 -2.382 11.684 -5.452 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.571 10.782 -6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.622 9.985 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.791 9.425 -8.163 1.00 0.00 H new ATOM 1105 N ALA A 69 -3.130 8.646 -4.868 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.385 7.419 -4.178 1.00 0.00 C ATOM 1107 C ALA A 69 -4.784 7.174 -3.732 1.00 0.00 C ATOM 1108 O ALA A 69 -5.406 6.230 -4.216 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.423 7.124 -3.015 1.00 0.00 C ATOM 0 H ALA A 69 -2.275 9.119 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.193 6.713 -4.986 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.693 6.175 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.402 7.066 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.491 7.921 -2.275 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.394 8.022 -2.885 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.783 7.944 -2.556 1.00 0.00 C ATOM 1117 C GLU A 70 -7.804 7.793 -3.631 1.00 0.00 C ATOM 1118 O GLU A 70 -8.877 7.249 -3.378 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.122 9.152 -1.667 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.937 10.495 -2.378 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.760 11.588 -1.711 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -9.013 11.480 -1.772 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.169 12.548 -1.148 1.00 0.00 O ATOM 0 H GLU A 70 -4.906 8.785 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.870 6.974 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.154 9.067 -1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.492 9.129 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.883 10.773 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.232 10.400 -3.423 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.590 8.289 -4.863 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.418 8.134 -6.018 1.00 0.00 C ATOM 1132 C LYS A 71 -8.119 6.929 -6.841 1.00 0.00 C ATOM 1133 O LYS A 71 -9.009 6.321 -7.433 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.297 9.375 -6.918 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.838 10.654 -6.274 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.218 11.911 -6.890 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.566 12.129 -8.364 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.919 13.359 -8.869 1.00 0.00 N ATOM 0 H LYS A 71 -6.762 8.849 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.429 8.009 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.249 9.524 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.833 9.192 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.921 10.689 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.633 10.636 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.545 12.780 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.134 11.854 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.240 11.271 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.647 12.204 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.164 13.494 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.250 14.177 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.887 13.273 -8.774 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.840 6.524 -6.932 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.428 5.319 -7.583 1.00 0.00 C ATOM 1154 C GLU A 72 -6.782 4.125 -6.765 1.00 0.00 C ATOM 1155 O GLU A 72 -7.077 3.051 -7.286 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.909 5.344 -7.819 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.440 6.444 -8.774 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.794 6.154 -10.225 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -4.105 5.310 -10.856 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -5.772 6.750 -10.752 1.00 0.00 O ATOM 0 H GLU A 72 -6.064 7.055 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.948 5.254 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.406 5.472 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.598 4.377 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.889 7.392 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.360 6.561 -8.684 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.789 4.275 -5.428 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.822 3.197 -4.489 1.00 0.00 C ATOM 1169 C TYR A 73 -8.117 2.460 -4.523 1.00 0.00 C ATOM 1170 O TYR A 73 -8.138 1.239 -4.661 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.588 3.669 -3.044 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.153 2.524 -2.195 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.872 2.053 -2.366 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.968 1.966 -1.240 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.389 1.037 -1.576 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.485 0.951 -0.448 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.203 0.485 -0.615 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.698 -0.589 0.148 1.00 0.00 O ATOM 0 H TYR A 73 -6.771 5.192 -4.981 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.011 2.535 -4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.830 4.452 -3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.504 4.103 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.240 2.485 -3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.980 2.322 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.380 0.676 -1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.118 0.517 0.311 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.117 -0.242 0.857 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.240 3.196 -4.440 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.559 2.715 -4.712 1.00 0.00 C ATOM 1190 C ILE A 74 -10.663 1.796 -5.881 1.00 0.00 C ATOM 1191 O ILE A 74 -11.214 0.702 -5.770 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.538 3.848 -4.795 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.971 3.382 -5.102 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.081 4.943 -5.774 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -14.014 4.499 -5.099 1.00 0.00 C ATOM 0 H ILE A 74 -9.226 4.179 -4.169 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.822 2.090 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.561 4.290 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.980 2.896 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.260 2.630 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.823 5.741 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.123 5.348 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.972 4.517 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.995 4.081 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.038 4.972 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.754 5.242 -5.853 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.069 2.159 -7.032 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.146 1.398 -8.239 1.00 0.00 C ATOM 1209 C ALA A 75 -9.407 0.104 -8.203 1.00 0.00 C ATOM 1210 O ALA A 75 -9.961 -0.941 -8.539 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.637 2.257 -9.409 1.00 0.00 C ATOM 0 H ALA A 75 -9.516 3.011 -7.125 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.195 1.132 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.693 1.682 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.254 3.151 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.603 2.547 -9.224 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.128 0.100 -7.787 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.365 -1.106 -7.701 1.00 0.00 C ATOM 1219 C LEU A 76 -7.837 -2.037 -6.637 1.00 0.00 C ATOM 1220 O LEU A 76 -7.988 -3.233 -6.877 1.00 0.00 O ATOM 1221 CB LEU A 76 -5.849 -0.880 -7.566 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.371 0.117 -6.496 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.636 -0.604 -5.353 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.455 1.186 -7.113 1.00 0.00 C ATOM 0 H LEU A 76 -7.619 0.939 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.541 -1.582 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.383 -1.843 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.472 -0.543 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.255 0.605 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.310 0.126 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.309 -1.322 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.768 -1.128 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.130 1.879 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.584 0.706 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.001 1.733 -7.882 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.159 -1.525 -5.435 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.686 -2.286 -4.345 1.00 0.00 C ATOM 1238 C VAL A 77 -10.040 -2.821 -4.663 1.00 0.00 C ATOM 1239 O VAL A 77 -10.404 -3.878 -4.151 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.648 -1.533 -3.048 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.567 -2.107 -1.957 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.202 -1.656 -2.536 1.00 0.00 C ATOM 0 H VAL A 77 -8.047 -0.536 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.031 -3.145 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.986 -0.514 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.479 -1.504 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.600 -2.090 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.275 -3.134 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.105 -1.126 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.956 -2.708 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.519 -1.221 -3.266 1.00 0.00 H new ATOM 1252 N ASP A 78 -10.842 -2.220 -5.560 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.052 -2.850 -5.986 1.00 0.00 C ATOM 1254 C ASP A 78 -11.839 -4.148 -6.686 1.00 0.00 C ATOM 1255 O ASP A 78 -12.518 -5.140 -6.425 1.00 0.00 O ATOM 1256 CB ASP A 78 -12.854 -1.901 -6.892 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.319 -2.304 -6.993 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.009 -2.329 -5.939 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.795 -2.587 -8.124 1.00 0.00 O ATOM 0 H ASP A 78 -10.657 -1.311 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.611 -3.073 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.784 -0.885 -6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.412 -1.892 -7.888 1.00 0.00 H new ATOM 1264 N GLN A 79 -10.826 -4.210 -7.569 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.428 -5.403 -8.249 1.00 0.00 C ATOM 1266 C GLN A 79 -9.872 -6.439 -7.333 1.00 0.00 C ATOM 1267 O GLN A 79 -10.026 -7.636 -7.570 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.366 -5.113 -9.323 1.00 0.00 C ATOM 1269 CG GLN A 79 -9.872 -4.200 -10.443 1.00 0.00 C ATOM 1270 CD GLN A 79 -8.736 -3.880 -11.404 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -8.025 -4.763 -11.879 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.564 -2.569 -11.722 1.00 0.00 N ATOM 0 H GLN A 79 -10.262 -3.397 -7.819 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.342 -5.785 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.499 -4.651 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.030 -6.055 -9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.688 -4.685 -10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.272 -3.279 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.171 -1.860 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.828 -2.294 -12.372 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.229 -6.001 -6.237 1.00 0.00 N ATOM 1282 CA LEU A 80 -8.701 -6.827 -5.195 1.00 0.00 C ATOM 1283 C LEU A 80 -9.817 -7.405 -4.394 1.00 0.00 C ATOM 1284 O LEU A 80 -9.967 -8.624 -4.333 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.696 -6.060 -4.316 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.434 -5.539 -5.024 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.345 -5.236 -3.982 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.863 -6.454 -6.122 1.00 0.00 C ATOM 0 H LEU A 80 -9.068 -5.008 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.146 -7.648 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.212 -5.211 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.386 -6.713 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.751 -4.636 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.452 -4.867 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.708 -4.479 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.102 -6.146 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.976 -5.992 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.596 -7.418 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.612 -6.600 -6.900 1.00 0.00 H new ATOM 1300 N ILE A 81 -10.703 -6.581 -3.805 1.00 0.00 N ATOM 1301 CA ILE A 81 -11.804 -6.969 -2.981 1.00 0.00 C ATOM 1302 C ILE A 81 -12.752 -7.902 -3.654 1.00 0.00 C ATOM 1303 O ILE A 81 -13.225 -8.866 -3.054 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.552 -5.748 -2.532 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.762 -4.983 -1.458 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.012 -5.967 -2.103 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.050 -5.418 -0.022 1.00 0.00 C ATOM 0 H ILE A 81 -10.643 -5.569 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.380 -7.504 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.635 -5.140 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.697 -5.106 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.983 -3.920 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.449 -5.015 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.579 -6.377 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.045 -6.664 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.448 -4.824 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -13.107 -5.268 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.801 -6.473 0.096 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.031 -7.682 -4.951 1.00 0.00 N ATOM 1320 CA ALA A 82 -13.815 -8.567 -5.756 1.00 0.00 C ATOM 1321 C ALA A 82 -13.345 -9.981 -5.779 1.00 0.00 C ATOM 1322 O ALA A 82 -14.150 -10.911 -5.774 1.00 0.00 O ATOM 1323 CB ALA A 82 -13.885 -8.013 -7.189 1.00 0.00 C ATOM 0 H ALA A 82 -12.700 -6.860 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.801 -8.603 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.481 -8.682 -7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.345 -7.025 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.878 -7.938 -7.600 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.020 -10.211 -5.746 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.435 -11.511 -5.629 1.00 0.00 C ATOM 1331 C LYS A 83 -11.285 -11.913 -4.203 1.00 0.00 C ATOM 1332 O LYS A 83 -11.419 -13.087 -3.861 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.051 -11.528 -6.298 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.096 -11.175 -7.786 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.736 -11.296 -8.478 1.00 0.00 C ATOM 1336 CE LYS A 83 -7.691 -10.276 -8.023 1.00 0.00 C ATOM 1337 NZ LYS A 83 -6.410 -10.558 -8.711 1.00 0.00 N ATOM 0 H LYS A 83 -11.329 -9.462 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.101 -12.217 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.397 -10.823 -5.784 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.609 -12.517 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.810 -11.829 -8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.464 -10.155 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.344 -12.298 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.881 -11.192 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.027 -9.265 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.558 -10.330 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.631 -10.104 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.252 -11.585 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.447 -10.183 -9.680 1.00 0.00 H new ATOM 1351 N TYR A 84 -10.930 -10.963 -3.319 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.305 -11.257 -2.068 1.00 0.00 C ATOM 1353 C TYR A 84 -11.212 -11.220 -0.886 1.00 0.00 C ATOM 1354 O TYR A 84 -10.871 -11.748 0.171 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.113 -10.312 -1.835 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.007 -10.435 -2.824 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.744 -11.571 -3.555 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.159 -9.365 -2.981 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.663 -11.645 -4.401 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.082 -9.414 -3.834 1.00 0.00 C ATOM 1361 CZ TYR A 84 -5.825 -10.565 -4.543 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.683 -10.672 -5.364 1.00 0.00 O ATOM 0 H TYR A 84 -11.081 -9.967 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.973 -12.292 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.476 -9.284 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.711 -10.498 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.401 -12.423 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.344 -8.461 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.472 -12.553 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.440 -8.553 -3.947 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.663 -9.923 -5.996 1.00 0.00 H new ATOM 1372 N SER A 85 -12.405 -10.609 -0.998 1.00 0.00 N ATOM 1373 CA SER A 85 -13.433 -10.626 -0.005 1.00 0.00 C ATOM 1374 C SER A 85 -13.775 -11.947 0.593 1.00 0.00 C ATOM 1375 O SER A 85 -13.756 -12.098 1.813 1.00 0.00 O ATOM 1376 CB SER A 85 -14.710 -9.917 -0.486 1.00 0.00 C ATOM 1377 OG SER A 85 -15.186 -10.445 -1.716 1.00 0.00 O ATOM 0 H SER A 85 -12.666 -10.074 -1.827 1.00 0.00 H new ATOM 0 HA SER A 85 -12.974 -10.069 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.486 -10.014 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.510 -8.852 -0.603 1.00 0.00 H new ATOM 0 HG SER A 85 -14.681 -10.052 -2.458 1.00 0.00 H new ATOM 1383 N SER A 86 -14.120 -12.967 -0.214 1.00 0.00 N ATOM 1384 CA SER A 86 -14.314 -14.317 0.215 1.00 0.00 C ATOM 1385 C SER A 86 -14.294 -15.233 -1.001 1.00 0.00 C ATOM 1386 O SER A 86 -14.458 -16.474 -0.855 1.00 0.00 O ATOM 1387 CB SER A 86 -15.652 -14.561 0.933 1.00 0.00 C ATOM 1388 OG SER A 86 -15.608 -14.091 2.273 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.100 -14.734 -2.141 1.00 0.00 O ATOM 0 H SER A 86 -14.271 -12.843 -1.215 1.00 0.00 H new ATOM 0 HA SER A 86 -13.509 -14.522 0.920 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.454 -14.057 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.883 -15.626 0.926 1.00 0.00 H new ATOM 0 HG SER A 86 -14.988 -13.334 2.334 1.00 0.00 H new