USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 99:sc= -0.456 USER MOD Set 1.2: A 97 MET CE :methyl -135:sc= -0.406 (180deg=-0.903) USER MOD Set 2.1: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -166:sc= 1.09 (180deg=0) USER MOD Set 3.2: A 49 GLN : amide:sc= -0.304 K(o=0.79,f=-9.8!) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -2.17! C(o=-4.1!,f=-4.8!) USER MOD Set 4.2: A 106 GLN : amide:sc= -1.97 K(o=-4.1,f=-5.5!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.16) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.46) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 31 SER OG : rot 180:sc= -0.107 USER MOD Single : A 32 THR OG1 : rot 119:sc= -0.0553 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -0.0293 (180deg=-0.157) USER MOD Single : A 38 HIS : no HD1:sc= -2.75 K(o=-2.8,f=-2.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -140:sc= -2.24! USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.107 USER MOD Single : A 58 MET CE :methyl 164:sc= -2.29 (180deg=-2.94!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc=-0.00228 (180deg=-0.15) USER MOD Single : A 75 ASN : amide:sc= -1.69 K(o=-1.7,f=-3.3!) USER MOD Single : A 78 ASN : amide:sc= -1 K(o=-1,f=-0.067) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -4.49! K(o=-4.5!,f=-3.3) USER MOD Single : A 90 SER OG : rot 180:sc= -0.419 USER MOD Single : A 92 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.1!) USER MOD Single : A 93 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.26) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -161:sc= -3.26 (180deg=-4.06!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.58) USER MOD Single : A 109 SER OG : rot -78:sc= 0.808 USER MOD Single : A 111 TYR OH : rot 112:sc= -3.02 USER MOD Single : A 112 LYS NZ :NH3+ -155:sc= -1.31 (180deg=-3.37!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.942 -13.460 -6.861 1.00 0.00 N ATOM 29 CA HIS A 3 -2.443 -12.287 -7.573 1.00 0.00 C ATOM 30 C HIS A 3 -3.566 -11.292 -7.862 1.00 0.00 C ATOM 31 O HIS A 3 -3.410 -10.395 -8.691 1.00 0.00 O ATOM 32 CB HIS A 3 -1.774 -12.713 -8.880 1.00 0.00 C ATOM 33 CG HIS A 3 -0.420 -13.316 -8.682 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.086 -14.315 -9.486 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.535 -13.058 -7.758 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.294 -14.647 -9.065 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.589 -13.898 -8.018 1.00 0.00 N ATOM 0 HA HIS A 3 -1.710 -11.793 -6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.414 -13.433 -9.390 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.686 -11.846 -9.534 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.478 -12.328 -6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.931 -15.402 -9.502 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.460 -13.937 -7.488 1.00 0.00 H new ATOM 46 N SER A 4 -4.695 -11.447 -7.173 1.00 0.00 N ATOM 47 CA SER A 4 -5.828 -10.549 -7.361 1.00 0.00 C ATOM 48 C SER A 4 -6.677 -10.467 -6.098 1.00 0.00 C ATOM 49 O SER A 4 -6.677 -11.381 -5.272 1.00 0.00 O ATOM 50 CB SER A 4 -6.688 -11.000 -8.544 1.00 0.00 C ATOM 51 OG SER A 4 -6.831 -12.410 -8.566 1.00 0.00 O ATOM 0 H SER A 4 -4.847 -12.183 -6.483 1.00 0.00 H new ATOM 0 HA SER A 4 -5.432 -9.556 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.671 -10.533 -8.481 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.234 -10.663 -9.476 1.00 0.00 H new ATOM 0 HG SER A 4 -7.386 -12.671 -9.330 1.00 0.00 H new ATOM 57 N GLY A 5 -7.391 -9.359 -5.957 1.00 0.00 N ATOM 58 CA GLY A 5 -8.234 -9.150 -4.798 1.00 0.00 C ATOM 59 C GLY A 5 -8.831 -7.763 -4.803 1.00 0.00 C ATOM 60 O GLY A 5 -8.161 -6.807 -5.176 1.00 0.00 O ATOM 0 H GLY A 5 -7.401 -8.594 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.032 -9.893 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.650 -9.295 -3.889 1.00 0.00 H new ATOM 64 N ALA A 6 -10.092 -7.648 -4.418 1.00 0.00 N ATOM 65 CA ALA A 6 -10.761 -6.355 -4.417 1.00 0.00 C ATOM 66 C ALA A 6 -10.482 -5.559 -3.146 1.00 0.00 C ATOM 67 O ALA A 6 -10.359 -6.119 -2.057 1.00 0.00 O ATOM 68 CB ALA A 6 -12.250 -6.543 -4.638 1.00 0.00 C ATOM 0 H ALA A 6 -10.670 -8.428 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.355 -5.767 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.744 -5.571 -4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.416 -7.033 -5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.661 -7.161 -3.839 1.00 0.00 H new ATOM 74 N ALA A 7 -10.368 -4.240 -3.308 1.00 0.00 N ATOM 75 CA ALA A 7 -10.086 -3.340 -2.193 1.00 0.00 C ATOM 76 C ALA A 7 -10.630 -1.937 -2.464 1.00 0.00 C ATOM 77 O ALA A 7 -11.083 -1.643 -3.570 1.00 0.00 O ATOM 78 CB ALA A 7 -8.589 -3.288 -1.940 1.00 0.00 C ATOM 0 H ALA A 7 -10.468 -3.770 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.587 -3.725 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.384 -2.615 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.226 -4.287 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.081 -2.925 -2.834 1.00 0.00 H new ATOM 84 N ILE A 8 -10.593 -1.076 -1.447 1.00 0.00 N ATOM 85 CA ILE A 8 -11.094 0.293 -1.583 1.00 0.00 C ATOM 86 C ILE A 8 -9.959 1.298 -1.757 1.00 0.00 C ATOM 87 O ILE A 8 -9.078 1.403 -0.906 1.00 0.00 O ATOM 88 CB ILE A 8 -11.923 0.732 -0.349 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.105 -0.217 -0.066 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.427 2.160 -0.533 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.324 -1.297 -1.103 1.00 0.00 C ATOM 0 H ILE A 8 -10.223 -1.300 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.726 0.285 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.260 0.688 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.946 -0.692 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.016 0.376 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.008 2.456 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.578 2.833 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.056 2.212 -1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.177 -1.911 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.520 -0.837 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.433 -1.922 -1.171 1.00 0.00 H new ATOM 103 N PHE A 9 -10.006 2.060 -2.845 1.00 0.00 N ATOM 104 CA PHE A 9 -8.994 3.080 -3.096 1.00 0.00 C ATOM 105 C PHE A 9 -9.634 4.455 -3.283 1.00 0.00 C ATOM 106 O PHE A 9 -10.282 4.720 -4.296 1.00 0.00 O ATOM 107 CB PHE A 9 -8.153 2.738 -4.325 1.00 0.00 C ATOM 108 CG PHE A 9 -6.957 3.637 -4.487 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.117 4.981 -4.787 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.675 3.138 -4.335 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.020 5.808 -4.933 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.573 3.960 -4.480 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.746 5.297 -4.780 1.00 0.00 C ATOM 0 H PHE A 9 -10.728 1.992 -3.562 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.343 3.107 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.816 1.704 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.777 2.808 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.111 5.386 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.534 2.093 -4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.159 6.853 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.578 3.557 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.887 5.941 -4.895 1.00 0.00 H new ATOM 123 N GLU A 10 -9.428 5.323 -2.299 1.00 0.00 N ATOM 124 CA GLU A 10 -9.956 6.689 -2.333 1.00 0.00 C ATOM 125 C GLU A 10 -11.477 6.709 -2.232 1.00 0.00 C ATOM 126 O GLU A 10 -12.155 7.347 -3.039 1.00 0.00 O ATOM 127 CB GLU A 10 -9.504 7.409 -3.606 1.00 0.00 C ATOM 128 CG GLU A 10 -8.114 8.016 -3.499 1.00 0.00 C ATOM 129 CD GLU A 10 -7.734 8.823 -4.726 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.778 8.263 -5.841 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.394 10.015 -4.571 1.00 0.00 O ATOM 0 H GLU A 10 -8.894 5.105 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.556 7.214 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.521 6.705 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.219 8.197 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.068 8.657 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.384 7.220 -3.352 1.00 0.00 H new ATOM 138 N LYS A 11 -12.009 6.019 -1.228 1.00 0.00 N ATOM 139 CA LYS A 11 -13.453 5.964 -1.005 1.00 0.00 C ATOM 140 C LYS A 11 -14.175 5.171 -2.097 1.00 0.00 C ATOM 141 O LYS A 11 -15.390 4.982 -2.024 1.00 0.00 O ATOM 142 CB LYS A 11 -14.033 7.379 -0.918 1.00 0.00 C ATOM 143 CG LYS A 11 -14.452 7.778 0.488 1.00 0.00 C ATOM 144 CD LYS A 11 -15.767 7.125 0.883 1.00 0.00 C ATOM 145 CE LYS A 11 -15.827 6.851 2.377 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.481 8.059 3.177 1.00 0.00 N ATOM 0 H LYS A 11 -11.460 5.487 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.613 5.446 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.292 8.090 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.896 7.451 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.675 7.491 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.551 8.862 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.596 7.772 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.889 6.190 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.828 6.513 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.140 6.042 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.758 7.910 4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.456 8.228 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.987 8.884 2.797 1.00 0.00 H new ATOM 160 N VAL A 12 -13.438 4.701 -3.100 1.00 0.00 N ATOM 161 CA VAL A 12 -14.035 3.931 -4.177 1.00 0.00 C ATOM 162 C VAL A 12 -13.750 2.456 -3.999 1.00 0.00 C ATOM 163 O VAL A 12 -12.708 2.069 -3.469 1.00 0.00 O ATOM 164 CB VAL A 12 -13.530 4.392 -5.558 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.807 3.347 -6.636 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.187 5.706 -5.915 1.00 0.00 C ATOM 0 H VAL A 12 -12.431 4.841 -3.186 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.111 4.100 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.449 4.523 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.437 3.707 -7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.302 2.416 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.880 3.170 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.833 6.036 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.269 5.575 -5.947 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.934 6.455 -5.165 1.00 0.00 H new ATOM 176 N SER A 13 -14.678 1.639 -4.453 1.00 0.00 N ATOM 177 CA SER A 13 -14.525 0.200 -4.347 1.00 0.00 C ATOM 178 C SER A 13 -14.325 -0.427 -5.716 1.00 0.00 C ATOM 179 O SER A 13 -15.231 -0.436 -6.549 1.00 0.00 O ATOM 180 CB SER A 13 -15.731 -0.429 -3.658 1.00 0.00 C ATOM 181 OG SER A 13 -16.279 0.445 -2.686 1.00 0.00 O ATOM 0 H SER A 13 -15.544 1.944 -4.898 1.00 0.00 H new ATOM 0 HA SER A 13 -13.639 0.007 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.491 -0.674 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.435 -1.365 -3.184 1.00 0.00 H new ATOM 0 HG SER A 13 -17.052 0.018 -2.261 1.00 0.00 H new ATOM 187 N GLY A 14 -13.131 -0.952 -5.937 1.00 0.00 N ATOM 188 CA GLY A 14 -12.819 -1.580 -7.201 1.00 0.00 C ATOM 189 C GLY A 14 -12.178 -2.935 -7.012 1.00 0.00 C ATOM 190 O GLY A 14 -12.634 -3.737 -6.199 1.00 0.00 O ATOM 0 H GLY A 14 -12.369 -0.954 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.731 -1.688 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.148 -0.937 -7.770 1.00 0.00 H new ATOM 194 N ILE A 15 -11.114 -3.186 -7.759 1.00 0.00 N ATOM 195 CA ILE A 15 -10.405 -4.448 -7.669 1.00 0.00 C ATOM 196 C ILE A 15 -8.906 -4.237 -7.644 1.00 0.00 C ATOM 197 O ILE A 15 -8.364 -3.498 -8.458 1.00 0.00 O ATOM 198 CB ILE A 15 -10.712 -5.377 -8.861 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.215 -5.415 -9.156 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.168 -6.778 -8.591 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.070 -5.781 -7.963 1.00 0.00 C ATOM 0 H ILE A 15 -10.724 -2.529 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.747 -4.909 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.215 -4.980 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.526 -4.438 -9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.399 -6.133 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.391 -7.425 -9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.089 -6.728 -8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.635 -7.183 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.120 -5.786 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.789 -6.771 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.918 -5.050 -7.169 1.00 0.00 H new ATOM 213 N ILE A 16 -8.234 -4.947 -6.755 1.00 0.00 N ATOM 214 CA ILE A 16 -6.791 -4.888 -6.687 1.00 0.00 C ATOM 215 C ILE A 16 -6.284 -6.122 -7.393 1.00 0.00 C ATOM 216 O ILE A 16 -6.882 -7.191 -7.279 1.00 0.00 O ATOM 217 CB ILE A 16 -6.242 -4.858 -5.233 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.808 -3.443 -4.845 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.067 -5.821 -5.075 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.096 -3.375 -3.508 1.00 0.00 C ATOM 0 H ILE A 16 -8.667 -5.569 -6.073 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.450 -3.962 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.046 -5.174 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.150 -3.048 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.686 -2.798 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.700 -5.782 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.394 -6.835 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.267 -5.534 -5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.817 -2.343 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.759 -3.740 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.199 -3.994 -3.541 1.00 0.00 H new ATOM 232 N ALA A 17 -5.211 -5.988 -8.136 1.00 0.00 N ATOM 233 CA ALA A 17 -4.697 -7.127 -8.856 1.00 0.00 C ATOM 234 C ALA A 17 -3.197 -7.031 -9.049 1.00 0.00 C ATOM 235 O ALA A 17 -2.685 -6.107 -9.680 1.00 0.00 O ATOM 236 CB ALA A 17 -5.442 -7.280 -10.170 1.00 0.00 C ATOM 0 H ALA A 17 -4.687 -5.121 -8.256 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.868 -8.027 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.051 -8.141 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.504 -7.427 -9.971 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.307 -6.381 -10.772 1.00 0.00 H new ATOM 242 N ILE A 18 -2.505 -7.995 -8.466 1.00 0.00 N ATOM 243 CA ILE A 18 -1.056 -8.054 -8.520 1.00 0.00 C ATOM 244 C ILE A 18 -0.568 -8.787 -9.763 1.00 0.00 C ATOM 245 O ILE A 18 -1.163 -9.775 -10.192 1.00 0.00 O ATOM 246 CB ILE A 18 -0.498 -8.747 -7.261 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.938 -7.991 -6.004 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.017 -8.842 -7.328 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.359 -8.897 -4.869 1.00 0.00 C ATOM 0 H ILE A 18 -2.933 -8.758 -7.942 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.691 -7.028 -8.564 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.898 -9.760 -7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.119 -7.356 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.768 -7.332 -6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.391 -9.334 -6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.307 -9.420 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.442 -7.840 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.657 -8.293 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.199 -9.514 -5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.524 -9.539 -4.587 1.00 0.00 H new ATOM 261 N ASN A 19 0.524 -8.292 -10.331 1.00 0.00 N ATOM 262 CA ASN A 19 1.109 -8.891 -11.522 1.00 0.00 C ATOM 263 C ASN A 19 2.538 -9.341 -11.245 1.00 0.00 C ATOM 264 O ASN A 19 3.480 -8.565 -11.372 1.00 0.00 O ATOM 265 CB ASN A 19 1.090 -7.895 -12.683 1.00 0.00 C ATOM 266 CG ASN A 19 0.765 -8.557 -14.008 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.355 -8.460 -14.506 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.750 -9.237 -14.586 1.00 0.00 N ATOM 0 H ASN A 19 1.024 -7.474 -9.984 1.00 0.00 H new ATOM 0 HA ASN A 19 0.514 -9.762 -11.796 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.354 -7.117 -12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.061 -7.405 -12.753 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.592 -9.705 -15.479 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.664 -9.291 -14.137 1.00 0.00 H new ATOM 275 N GLU A 20 2.689 -10.601 -10.858 1.00 0.00 N ATOM 276 CA GLU A 20 4.005 -11.157 -10.558 1.00 0.00 C ATOM 277 C GLU A 20 4.744 -11.562 -11.834 1.00 0.00 C ATOM 278 O GLU A 20 5.873 -12.048 -11.776 1.00 0.00 O ATOM 279 CB GLU A 20 3.866 -12.366 -9.631 1.00 0.00 C ATOM 280 CG GLU A 20 4.852 -12.360 -8.475 1.00 0.00 C ATOM 281 CD GLU A 20 6.288 -12.532 -8.933 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.896 -11.531 -9.368 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.804 -13.667 -8.856 1.00 0.00 O ATOM 0 H GLU A 20 1.917 -11.258 -10.744 1.00 0.00 H new ATOM 0 HA GLU A 20 4.589 -10.383 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.852 -12.394 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.005 -13.277 -10.212 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.759 -11.422 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.597 -13.161 -7.781 1.00 0.00 H new ATOM 290 N ASP A 21 4.106 -11.358 -12.984 1.00 0.00 N ATOM 291 CA ASP A 21 4.711 -11.705 -14.265 1.00 0.00 C ATOM 292 C ASP A 21 5.649 -10.601 -14.753 1.00 0.00 C ATOM 293 O ASP A 21 6.244 -10.715 -15.825 1.00 0.00 O ATOM 294 CB ASP A 21 3.624 -11.956 -15.309 1.00 0.00 C ATOM 295 CG ASP A 21 2.822 -13.210 -15.018 1.00 0.00 C ATOM 296 OD1 ASP A 21 3.408 -14.183 -14.499 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.607 -13.219 -15.309 1.00 0.00 O ATOM 0 H ASP A 21 3.172 -10.955 -13.054 1.00 0.00 H new ATOM 0 HA ASP A 21 5.296 -12.614 -14.123 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.952 -11.098 -15.344 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.083 -12.042 -16.294 1.00 0.00 H new ATOM 302 N VAL A 22 5.780 -9.536 -13.967 1.00 0.00 N ATOM 303 CA VAL A 22 6.650 -8.424 -14.336 1.00 0.00 C ATOM 304 C VAL A 22 7.971 -8.491 -13.573 1.00 0.00 C ATOM 305 O VAL A 22 8.330 -9.532 -13.023 1.00 0.00 O ATOM 306 CB VAL A 22 5.993 -7.042 -14.098 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.814 -6.297 -15.412 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.673 -7.194 -13.391 1.00 0.00 C ATOM 0 H VAL A 22 5.298 -9.420 -13.076 1.00 0.00 H new ATOM 0 HA VAL A 22 6.833 -8.526 -15.406 1.00 0.00 H new ATOM 0 HB VAL A 22 6.656 -6.457 -13.461 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.351 -5.329 -15.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.787 -6.148 -15.881 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.176 -6.880 -16.077 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.229 -6.211 -13.234 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.003 -7.802 -13.999 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.830 -7.679 -12.428 1.00 0.00 H new ATOM 318 N SER A 23 8.684 -7.375 -13.542 1.00 0.00 N ATOM 319 CA SER A 23 9.960 -7.296 -12.846 1.00 0.00 C ATOM 320 C SER A 23 10.484 -5.862 -12.851 1.00 0.00 C ATOM 321 O SER A 23 11.023 -5.397 -13.856 1.00 0.00 O ATOM 322 CB SER A 23 10.977 -8.234 -13.496 1.00 0.00 C ATOM 323 OG SER A 23 12.307 -7.812 -13.239 1.00 0.00 O ATOM 0 H SER A 23 8.398 -6.506 -13.994 1.00 0.00 H new ATOM 0 HA SER A 23 9.810 -7.606 -11.812 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.835 -9.246 -13.117 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.806 -8.269 -14.572 1.00 0.00 H new ATOM 0 HG SER A 23 12.935 -8.432 -13.666 1.00 0.00 H new ATOM 329 N PRO A 24 10.329 -5.131 -11.730 1.00 0.00 N ATOM 330 CA PRO A 24 9.692 -5.645 -10.509 1.00 0.00 C ATOM 331 C PRO A 24 8.179 -5.783 -10.646 1.00 0.00 C ATOM 332 O PRO A 24 7.566 -5.168 -11.519 1.00 0.00 O ATOM 333 CB PRO A 24 10.036 -4.588 -9.463 1.00 0.00 C ATOM 334 CG PRO A 24 10.204 -3.329 -10.241 1.00 0.00 C ATOM 335 CD PRO A 24 10.775 -3.734 -11.571 1.00 0.00 C ATOM 0 HA PRO A 24 10.043 -6.647 -10.261 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.244 -4.492 -8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.948 -4.846 -8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.249 -2.818 -10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.870 -2.638 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.403 -3.101 -12.376 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.862 -3.657 -11.581 1.00 0.00 H new ATOM 343 N ALA A 25 7.584 -6.597 -9.777 1.00 0.00 N ATOM 344 CA ALA A 25 6.139 -6.820 -9.797 1.00 0.00 C ATOM 345 C ALA A 25 5.372 -5.508 -9.774 1.00 0.00 C ATOM 346 O ALA A 25 5.957 -4.433 -9.649 1.00 0.00 O ATOM 347 CB ALA A 25 5.709 -7.673 -8.616 1.00 0.00 C ATOM 0 H ALA A 25 8.079 -7.113 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 25 5.908 -7.343 -10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.630 -7.826 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.214 -8.638 -8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.974 -7.168 -7.687 1.00 0.00 H new ATOM 353 N GLU A 26 4.053 -5.610 -9.886 1.00 0.00 N ATOM 354 CA GLU A 26 3.202 -4.432 -9.864 1.00 0.00 C ATOM 355 C GLU A 26 1.748 -4.809 -9.605 1.00 0.00 C ATOM 356 O GLU A 26 1.227 -5.755 -10.195 1.00 0.00 O ATOM 357 CB GLU A 26 3.316 -3.669 -11.185 1.00 0.00 C ATOM 358 CG GLU A 26 2.834 -4.461 -12.389 1.00 0.00 C ATOM 359 CD GLU A 26 1.445 -4.049 -12.839 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.528 -4.029 -11.992 1.00 0.00 O ATOM 361 OE2 GLU A 26 1.277 -3.745 -14.038 1.00 0.00 O ATOM 0 H GLU A 26 3.554 -6.493 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 26 3.539 -3.790 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.740 -2.747 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.356 -3.383 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.534 -4.325 -13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.833 -5.523 -12.144 1.00 0.00 H new ATOM 368 N LEU A 27 1.090 -4.047 -8.737 1.00 0.00 N ATOM 369 CA LEU A 27 -0.313 -4.291 -8.426 1.00 0.00 C ATOM 370 C LEU A 27 -1.163 -3.189 -9.057 1.00 0.00 C ATOM 371 O LEU A 27 -0.697 -2.064 -9.223 1.00 0.00 O ATOM 372 CB LEU A 27 -0.531 -4.379 -6.900 1.00 0.00 C ATOM 373 CG LEU A 27 -0.814 -3.063 -6.165 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.139 -2.446 -6.588 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.816 -3.303 -4.671 1.00 0.00 C ATOM 0 H LEU A 27 1.504 -3.259 -8.239 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.619 -5.250 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.364 -5.058 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.355 -4.832 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.024 -2.360 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.298 -1.516 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.119 -2.240 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.950 -3.140 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.017 -2.366 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.589 -4.030 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.157 -3.687 -4.363 1.00 0.00 H new ATOM 387 N THR A 28 -2.392 -3.515 -9.438 1.00 0.00 N ATOM 388 CA THR A 28 -3.262 -2.533 -10.083 1.00 0.00 C ATOM 389 C THR A 28 -4.679 -2.550 -9.525 1.00 0.00 C ATOM 390 O THR A 28 -5.425 -3.509 -9.725 1.00 0.00 O ATOM 391 CB THR A 28 -3.305 -2.798 -11.588 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.049 -3.258 -12.053 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.676 -1.577 -12.402 1.00 0.00 C ATOM 0 H THR A 28 -2.807 -4.439 -9.315 1.00 0.00 H new ATOM 0 HA THR A 28 -2.844 -1.547 -9.879 1.00 0.00 H new ATOM 0 HB THR A 28 -4.078 -3.554 -11.725 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.098 -3.423 -13.018 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.688 -1.835 -13.461 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.664 -1.227 -12.103 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.944 -0.788 -12.229 1.00 0.00 H new ATOM 401 N TRP A 29 -5.058 -1.466 -8.851 1.00 0.00 N ATOM 402 CA TRP A 29 -6.389 -1.342 -8.302 1.00 0.00 C ATOM 403 C TRP A 29 -7.295 -0.649 -9.311 1.00 0.00 C ATOM 404 O TRP A 29 -7.139 0.539 -9.576 1.00 0.00 O ATOM 405 CB TRP A 29 -6.361 -0.527 -7.010 1.00 0.00 C ATOM 406 CG TRP A 29 -7.728 -0.238 -6.484 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.447 -1.025 -5.648 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.547 0.900 -6.777 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.669 -0.448 -5.384 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.753 0.737 -6.067 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.378 2.043 -7.564 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.781 1.672 -6.123 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.401 2.971 -7.619 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.589 2.781 -6.902 1.00 0.00 C ATOM 0 H TRP A 29 -4.453 -0.663 -8.676 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.770 -2.340 -8.084 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.792 -1.070 -6.255 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.838 0.413 -7.189 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.110 -1.969 -5.246 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.392 -0.838 -4.780 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.465 2.198 -8.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.698 1.528 -5.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.282 3.857 -8.225 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.370 3.525 -6.965 1.00 0.00 H new ATOM 425 N ARG A 30 -8.236 -1.394 -9.868 1.00 0.00 N ATOM 426 CA ARG A 30 -9.161 -0.838 -10.851 1.00 0.00 C ATOM 427 C ARG A 30 -10.570 -0.741 -10.280 1.00 0.00 C ATOM 428 O ARG A 30 -11.084 -1.701 -9.714 1.00 0.00 O ATOM 429 CB ARG A 30 -9.171 -1.697 -12.117 1.00 0.00 C ATOM 430 CG ARG A 30 -10.071 -1.154 -13.215 1.00 0.00 C ATOM 431 CD ARG A 30 -9.500 -1.440 -14.594 1.00 0.00 C ATOM 432 NE ARG A 30 -9.779 -0.358 -15.537 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.118 -0.182 -16.679 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.141 -1.011 -17.023 1.00 0.00 N ATOM 435 NH2 ARG A 30 -9.436 0.828 -17.477 1.00 0.00 N ATOM 0 H ARG A 30 -8.382 -2.382 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.821 0.166 -11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.153 -1.777 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.495 -2.705 -11.859 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.061 -1.601 -13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.195 -0.079 -13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.422 -1.585 -14.517 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.921 -2.371 -14.975 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.523 0.300 -15.306 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.893 -1.788 -16.411 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.638 -0.871 -17.899 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.186 1.468 -17.215 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.931 0.965 -18.353 1.00 0.00 H new ATOM 449 N SER A 31 -11.197 0.422 -10.436 1.00 0.00 N ATOM 450 CA SER A 31 -12.552 0.628 -9.931 1.00 0.00 C ATOM 451 C SER A 31 -13.467 -0.509 -10.378 1.00 0.00 C ATOM 452 O SER A 31 -13.175 -1.203 -11.352 1.00 0.00 O ATOM 453 CB SER A 31 -13.104 1.966 -10.425 1.00 0.00 C ATOM 454 OG SER A 31 -14.509 2.033 -10.254 1.00 0.00 O ATOM 0 H SER A 31 -10.792 1.232 -10.905 1.00 0.00 H new ATOM 0 HA SER A 31 -12.515 0.641 -8.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.629 2.782 -9.880 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.856 2.099 -11.478 1.00 0.00 H new ATOM 0 HG SER A 31 -14.837 2.899 -10.576 1.00 0.00 H new ATOM 460 N THR A 32 -14.573 -0.695 -9.667 1.00 0.00 N ATOM 461 CA THR A 32 -15.520 -1.746 -10.002 1.00 0.00 C ATOM 462 C THR A 32 -16.313 -1.349 -11.232 1.00 0.00 C ATOM 463 O THR A 32 -16.628 -2.176 -12.088 1.00 0.00 O ATOM 464 CB THR A 32 -16.461 -2.013 -8.824 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.752 -2.558 -7.727 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.584 -2.969 -9.161 1.00 0.00 C ATOM 0 H THR A 32 -14.834 -0.132 -8.857 1.00 0.00 H new ATOM 0 HA THR A 32 -14.970 -2.663 -10.215 1.00 0.00 H new ATOM 0 HB THR A 32 -16.891 -1.043 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.830 -1.958 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.213 -3.115 -8.283 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.183 -2.555 -9.972 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.166 -3.927 -9.471 1.00 0.00 H new ATOM 474 N ASP A 33 -16.622 -0.067 -11.309 1.00 0.00 N ATOM 475 CA ASP A 33 -17.371 0.477 -12.428 1.00 0.00 C ATOM 476 C ASP A 33 -16.448 0.807 -13.600 1.00 0.00 C ATOM 477 O ASP A 33 -16.906 1.001 -14.726 1.00 0.00 O ATOM 478 CB ASP A 33 -18.138 1.728 -11.998 1.00 0.00 C ATOM 479 CG ASP A 33 -19.407 1.395 -11.237 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.330 1.218 -10.004 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.478 1.314 -11.876 1.00 0.00 O ATOM 0 H ASP A 33 -16.363 0.622 -10.603 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.082 -0.282 -12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.495 2.348 -11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.390 2.317 -12.880 1.00 0.00 H new ATOM 486 N GLY A 34 -15.146 0.873 -13.329 1.00 0.00 N ATOM 487 CA GLY A 34 -14.186 1.183 -14.371 1.00 0.00 C ATOM 488 C GLY A 34 -13.996 2.675 -14.553 1.00 0.00 C ATOM 489 O GLY A 34 -13.785 3.150 -15.669 1.00 0.00 O ATOM 0 H GLY A 34 -14.741 0.717 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.228 0.724 -14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.520 0.744 -15.311 1.00 0.00 H new ATOM 493 N ASP A 35 -14.076 3.416 -13.453 1.00 0.00 N ATOM 494 CA ASP A 35 -13.917 4.864 -13.495 1.00 0.00 C ATOM 495 C ASP A 35 -12.448 5.262 -13.424 1.00 0.00 C ATOM 496 O ASP A 35 -12.059 6.323 -13.913 1.00 0.00 O ATOM 497 CB ASP A 35 -14.691 5.517 -12.348 1.00 0.00 C ATOM 498 CG ASP A 35 -15.312 6.840 -12.750 1.00 0.00 C ATOM 499 OD1 ASP A 35 -16.383 6.822 -13.393 1.00 0.00 O ATOM 500 OD2 ASP A 35 -14.729 7.895 -12.419 1.00 0.00 O ATOM 0 H ASP A 35 -14.250 3.037 -12.522 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.319 5.216 -14.445 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.474 4.839 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.020 5.675 -11.504 1.00 0.00 H new ATOM 505 N LYS A 36 -11.636 4.412 -12.810 1.00 0.00 N ATOM 506 CA LYS A 36 -10.209 4.685 -12.677 1.00 0.00 C ATOM 507 C LYS A 36 -9.477 3.516 -12.041 1.00 0.00 C ATOM 508 O LYS A 36 -10.088 2.615 -11.465 1.00 0.00 O ATOM 509 CB LYS A 36 -9.989 5.955 -11.851 1.00 0.00 C ATOM 510 CG LYS A 36 -10.354 5.800 -10.382 1.00 0.00 C ATOM 511 CD LYS A 36 -11.561 6.649 -10.010 1.00 0.00 C ATOM 512 CE LYS A 36 -11.145 8.041 -9.560 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.772 8.907 -10.713 1.00 0.00 N ATOM 0 H LYS A 36 -11.939 3.530 -12.397 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.802 4.832 -13.678 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.943 6.251 -11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.581 6.764 -12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.566 4.752 -10.168 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.503 6.086 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.230 6.727 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.120 6.159 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.963 8.504 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.301 7.964 -8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.642 9.885 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.885 8.562 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.528 8.879 -11.427 1.00 0.00 H new ATOM 527 N VAL A 37 -8.160 3.534 -12.176 1.00 0.00 N ATOM 528 CA VAL A 37 -7.318 2.479 -11.650 1.00 0.00 C ATOM 529 C VAL A 37 -5.981 3.035 -11.165 1.00 0.00 C ATOM 530 O VAL A 37 -5.454 3.995 -11.728 1.00 0.00 O ATOM 531 CB VAL A 37 -7.081 1.410 -12.734 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.911 2.071 -14.097 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.885 0.520 -12.399 1.00 0.00 C ATOM 0 H VAL A 37 -7.650 4.278 -12.652 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.827 2.026 -10.799 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.958 0.764 -12.768 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.744 1.305 -14.854 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.811 2.635 -14.343 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.056 2.747 -14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.751 -0.221 -13.187 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.987 1.132 -12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.063 0.013 -11.451 1.00 0.00 H new ATOM 543 N HIS A 38 -5.437 2.420 -10.122 1.00 0.00 N ATOM 544 CA HIS A 38 -4.161 2.846 -9.562 1.00 0.00 C ATOM 545 C HIS A 38 -3.148 1.706 -9.607 1.00 0.00 C ATOM 546 O HIS A 38 -3.364 0.648 -9.018 1.00 0.00 O ATOM 547 CB HIS A 38 -4.345 3.325 -8.121 1.00 0.00 C ATOM 548 CG HIS A 38 -4.833 4.737 -8.018 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.168 5.078 -8.069 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.155 5.900 -7.866 1.00 0.00 C ATOM 551 CE1 HIS A 38 -6.291 6.388 -7.954 1.00 0.00 C ATOM 552 NE2 HIS A 38 -5.085 6.910 -7.828 1.00 0.00 N ATOM 0 H HIS A 38 -5.861 1.623 -9.646 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.783 3.673 -10.163 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.052 2.667 -7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.395 3.238 -7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.084 6.012 -7.789 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.220 6.938 -7.962 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.877 7.903 -7.720 1.00 0.00 H new ATOM 561 N THR A 39 -2.043 1.929 -10.311 1.00 0.00 N ATOM 562 CA THR A 39 -1.001 0.918 -10.432 1.00 0.00 C ATOM 563 C THR A 39 0.106 1.156 -9.410 1.00 0.00 C ATOM 564 O THR A 39 0.452 2.299 -9.112 1.00 0.00 O ATOM 565 CB THR A 39 -0.417 0.918 -11.846 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.296 1.561 -12.753 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.143 -0.471 -12.381 1.00 0.00 C ATOM 0 H THR A 39 -1.847 2.799 -10.805 1.00 0.00 H new ATOM 0 HA THR A 39 -1.450 -0.056 -10.236 1.00 0.00 H new ATOM 0 HB THR A 39 0.529 1.453 -11.766 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.904 1.552 -13.651 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.270 -0.398 -13.387 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.571 -0.977 -11.731 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.073 -1.040 -12.410 1.00 0.00 H new ATOM 575 N VAL A 40 0.648 0.071 -8.870 1.00 0.00 N ATOM 576 CA VAL A 40 1.705 0.161 -7.873 1.00 0.00 C ATOM 577 C VAL A 40 2.869 -0.762 -8.209 1.00 0.00 C ATOM 578 O VAL A 40 2.668 -1.903 -8.623 1.00 0.00 O ATOM 579 CB VAL A 40 1.167 -0.193 -6.464 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.978 -1.308 -5.807 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.150 1.029 -5.573 1.00 0.00 C ATOM 0 H VAL A 40 0.372 -0.882 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 40 2.060 1.191 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 40 0.147 -0.554 -6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.567 -1.525 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.931 -2.205 -6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.016 -0.992 -5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.769 0.757 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.162 1.421 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.507 1.791 -6.013 1.00 0.00 H new ATOM 591 N VAL A 41 4.081 -0.275 -7.983 1.00 0.00 N ATOM 592 CA VAL A 41 5.274 -1.070 -8.213 1.00 0.00 C ATOM 593 C VAL A 41 5.818 -1.545 -6.874 1.00 0.00 C ATOM 594 O VAL A 41 6.527 -0.810 -6.188 1.00 0.00 O ATOM 595 CB VAL A 41 6.365 -0.279 -8.962 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.576 -1.162 -9.238 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.812 0.296 -10.257 1.00 0.00 C ATOM 0 H VAL A 41 4.262 0.668 -7.640 1.00 0.00 H new ATOM 0 HA VAL A 41 4.998 -1.918 -8.839 1.00 0.00 H new ATOM 0 HB VAL A 41 6.685 0.548 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.334 -0.585 -9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.987 -1.522 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.275 -2.012 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.596 0.851 -10.773 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.462 -0.515 -10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.981 0.965 -10.033 1.00 0.00 H new ATOM 607 N LEU A 42 5.459 -2.771 -6.499 1.00 0.00 N ATOM 608 CA LEU A 42 5.882 -3.355 -5.227 1.00 0.00 C ATOM 609 C LEU A 42 7.353 -3.054 -4.920 1.00 0.00 C ATOM 610 O LEU A 42 7.760 -3.032 -3.759 1.00 0.00 O ATOM 611 CB LEU A 42 5.645 -4.866 -5.246 1.00 0.00 C ATOM 612 CG LEU A 42 4.183 -5.324 -5.115 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.760 -5.393 -3.663 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.235 -4.415 -5.870 1.00 0.00 C ATOM 0 H LEU A 42 4.871 -3.384 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 42 5.284 -2.901 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.047 -5.264 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.219 -5.313 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 42 4.130 -6.320 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.722 -5.720 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.395 -6.102 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.858 -4.407 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.213 -4.775 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.311 -3.402 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.498 -4.413 -6.928 1.00 0.00 H new ATOM 626 N SER A 43 8.140 -2.804 -5.964 1.00 0.00 N ATOM 627 CA SER A 43 9.553 -2.488 -5.798 1.00 0.00 C ATOM 628 C SER A 43 9.698 -1.071 -5.275 1.00 0.00 C ATOM 629 O SER A 43 10.399 -0.828 -4.292 1.00 0.00 O ATOM 630 CB SER A 43 10.298 -2.633 -7.125 1.00 0.00 C ATOM 631 OG SER A 43 11.153 -3.762 -7.104 1.00 0.00 O ATOM 0 H SER A 43 7.821 -2.815 -6.933 1.00 0.00 H new ATOM 0 HA SER A 43 9.987 -3.186 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.581 -2.730 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.882 -1.733 -7.319 1.00 0.00 H new ATOM 0 HG SER A 43 11.996 -3.542 -7.552 1.00 0.00 H new ATOM 637 N THR A 44 9.005 -0.141 -5.922 1.00 0.00 N ATOM 638 CA THR A 44 9.029 1.239 -5.507 1.00 0.00 C ATOM 639 C THR A 44 8.403 1.352 -4.126 1.00 0.00 C ATOM 640 O THR A 44 8.748 2.238 -3.344 1.00 0.00 O ATOM 641 CB THR A 44 8.265 2.093 -6.511 1.00 0.00 C ATOM 642 OG1 THR A 44 6.886 1.768 -6.500 1.00 0.00 O ATOM 643 CG2 THR A 44 8.765 1.940 -7.931 1.00 0.00 C ATOM 0 H THR A 44 8.421 -0.328 -6.737 1.00 0.00 H new ATOM 0 HA THR A 44 10.058 1.596 -5.464 1.00 0.00 H new ATOM 0 HB THR A 44 8.429 3.124 -6.197 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.776 0.818 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.178 2.575 -8.594 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.813 2.234 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.665 0.900 -8.242 1.00 0.00 H new ATOM 651 N ILE A 45 7.491 0.425 -3.824 1.00 0.00 N ATOM 652 CA ILE A 45 6.835 0.405 -2.527 1.00 0.00 C ATOM 653 C ILE A 45 7.868 0.320 -1.402 1.00 0.00 C ATOM 654 O ILE A 45 8.475 -0.728 -1.186 1.00 0.00 O ATOM 655 CB ILE A 45 5.865 -0.789 -2.404 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.782 -0.714 -3.485 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.240 -0.826 -1.017 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.872 0.489 -3.360 1.00 0.00 C ATOM 0 H ILE A 45 7.195 -0.315 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 45 6.269 1.332 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 45 6.429 -1.710 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.261 -0.695 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.178 -1.620 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.559 -1.674 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.024 -0.928 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.689 0.098 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.133 0.471 -4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.364 0.462 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.463 1.402 -3.433 1.00 0.00 H new ATOM 670 N ASP A 46 8.060 1.427 -0.691 1.00 0.00 N ATOM 671 CA ASP A 46 9.019 1.473 0.409 1.00 0.00 C ATOM 672 C ASP A 46 8.773 0.339 1.401 1.00 0.00 C ATOM 673 O ASP A 46 9.705 -0.158 2.033 1.00 0.00 O ATOM 674 CB ASP A 46 8.936 2.821 1.128 1.00 0.00 C ATOM 675 CG ASP A 46 10.012 2.981 2.184 1.00 0.00 C ATOM 676 OD1 ASP A 46 11.115 3.457 1.840 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.753 2.631 3.354 1.00 0.00 O ATOM 0 H ASP A 46 7.565 2.303 -0.856 1.00 0.00 H new ATOM 0 HA ASP A 46 10.018 1.351 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.025 3.625 0.398 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.956 2.921 1.594 1.00 0.00 H new ATOM 682 N LYS A 47 7.514 -0.066 1.530 1.00 0.00 N ATOM 683 CA LYS A 47 7.148 -1.143 2.441 1.00 0.00 C ATOM 684 C LYS A 47 5.684 -1.534 2.264 1.00 0.00 C ATOM 685 O LYS A 47 4.900 -0.795 1.670 1.00 0.00 O ATOM 686 CB LYS A 47 7.413 -0.732 3.893 1.00 0.00 C ATOM 687 CG LYS A 47 6.477 0.351 4.405 1.00 0.00 C ATOM 688 CD LYS A 47 6.809 0.742 5.836 1.00 0.00 C ATOM 689 CE LYS A 47 5.554 1.057 6.633 1.00 0.00 C ATOM 690 NZ LYS A 47 5.734 0.776 8.084 1.00 0.00 N ATOM 0 H LYS A 47 6.730 0.336 1.015 1.00 0.00 H new ATOM 0 HA LYS A 47 7.766 -2.009 2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.321 -1.610 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.441 -0.381 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.547 1.228 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.447 -0.002 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.354 -0.069 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.467 1.611 5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.290 2.106 6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.722 0.467 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.807 0.773 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.186 -0.153 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.335 1.511 8.508 1.00 0.00 H new ATOM 704 N LEU A 48 5.325 -2.701 2.784 1.00 0.00 N ATOM 705 CA LEU A 48 3.959 -3.199 2.688 1.00 0.00 C ATOM 706 C LEU A 48 3.273 -3.151 4.053 1.00 0.00 C ATOM 707 O LEU A 48 3.695 -3.827 4.989 1.00 0.00 O ATOM 708 CB LEU A 48 3.967 -4.636 2.161 1.00 0.00 C ATOM 709 CG LEU A 48 2.590 -5.243 1.896 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.990 -4.666 0.623 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.688 -6.759 1.801 1.00 0.00 C ATOM 0 H LEU A 48 5.964 -3.323 3.279 1.00 0.00 H new ATOM 0 HA LEU A 48 3.404 -2.564 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.542 -4.663 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.491 -5.266 2.880 1.00 0.00 H new ATOM 0 HG LEU A 48 1.934 -4.991 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.009 -5.109 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.887 -3.586 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.643 -4.889 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.699 -7.176 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.358 -7.030 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.077 -7.158 2.738 1.00 0.00 H new ATOM 723 N GLN A 49 2.216 -2.351 4.166 1.00 0.00 N ATOM 724 CA GLN A 49 1.484 -2.228 5.420 1.00 0.00 C ATOM 725 C GLN A 49 0.102 -2.852 5.292 1.00 0.00 C ATOM 726 O GLN A 49 -0.519 -2.782 4.238 1.00 0.00 O ATOM 727 CB GLN A 49 1.352 -0.757 5.817 1.00 0.00 C ATOM 728 CG GLN A 49 1.529 -0.510 7.307 1.00 0.00 C ATOM 729 CD GLN A 49 2.039 0.886 7.609 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.156 1.059 8.096 1.00 0.00 O ATOM 731 NE2 GLN A 49 1.219 1.890 7.321 1.00 0.00 N ATOM 0 H GLN A 49 1.849 -1.780 3.405 1.00 0.00 H new ATOM 0 HA GLN A 49 2.040 -2.756 6.194 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.093 -0.174 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.371 -0.393 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.575 -0.662 7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.226 -1.243 7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.302 1.700 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.507 2.852 7.503 1.00 0.00 H new ATOM 740 N ALA A 50 -0.375 -3.474 6.362 1.00 0.00 N ATOM 741 CA ALA A 50 -1.681 -4.111 6.342 1.00 0.00 C ATOM 742 C ALA A 50 -2.250 -4.252 7.751 1.00 0.00 C ATOM 743 O ALA A 50 -1.502 -4.405 8.717 1.00 0.00 O ATOM 744 CB ALA A 50 -1.563 -5.463 5.672 1.00 0.00 C ATOM 0 H ALA A 50 0.122 -3.550 7.250 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.371 -3.485 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.540 -5.946 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.203 -5.333 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.861 -6.084 6.228 1.00 0.00 H new ATOM 750 N THR A 51 -3.575 -4.199 7.866 1.00 0.00 N ATOM 751 CA THR A 51 -4.229 -4.321 9.166 1.00 0.00 C ATOM 752 C THR A 51 -3.874 -5.650 9.832 1.00 0.00 C ATOM 753 O THR A 51 -3.913 -6.702 9.193 1.00 0.00 O ATOM 754 CB THR A 51 -5.745 -4.209 9.011 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.204 -5.047 7.965 1.00 0.00 O ATOM 756 CG2 THR A 51 -6.214 -2.802 8.712 1.00 0.00 C ATOM 0 H THR A 51 -4.213 -4.073 7.080 1.00 0.00 H new ATOM 0 HA THR A 51 -3.873 -3.509 9.800 1.00 0.00 H new ATOM 0 HB THR A 51 -6.158 -4.515 9.973 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.555 -5.880 8.343 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.300 -2.793 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.918 -2.139 9.525 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.763 -2.458 7.781 1.00 0.00 H new ATOM 847 N MET A 58 -10.151 -4.887 7.860 1.00 0.00 N ATOM 848 CA MET A 58 -9.147 -5.423 6.948 1.00 0.00 C ATOM 849 C MET A 58 -8.739 -4.379 5.915 1.00 0.00 C ATOM 850 O MET A 58 -9.546 -3.969 5.080 1.00 0.00 O ATOM 851 CB MET A 58 -9.681 -6.672 6.248 1.00 0.00 C ATOM 852 CG MET A 58 -10.211 -7.723 7.208 1.00 0.00 C ATOM 853 SD MET A 58 -11.888 -7.367 7.766 1.00 0.00 S ATOM 854 CE MET A 58 -12.696 -8.922 7.401 1.00 0.00 C ATOM 0 HA MET A 58 -8.266 -5.692 7.532 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.477 -6.382 5.562 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.885 -7.110 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.193 -8.698 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.550 -7.787 8.072 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.645 -8.973 7.934 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.878 -8.995 6.329 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.057 -9.747 7.717 1.00 0.00 H new ATOM 864 N MET A 59 -7.482 -3.951 5.978 1.00 0.00 N ATOM 865 CA MET A 59 -6.969 -2.952 5.051 1.00 0.00 C ATOM 866 C MET A 59 -5.511 -3.221 4.699 1.00 0.00 C ATOM 867 O MET A 59 -4.702 -3.557 5.565 1.00 0.00 O ATOM 868 CB MET A 59 -7.094 -1.557 5.659 1.00 0.00 C ATOM 869 CG MET A 59 -8.531 -1.106 5.869 1.00 0.00 C ATOM 870 SD MET A 59 -9.005 -1.062 7.609 1.00 0.00 S ATOM 871 CE MET A 59 -8.372 0.543 8.093 1.00 0.00 C ATOM 0 H MET A 59 -6.801 -4.281 6.662 1.00 0.00 H new ATOM 0 HA MET A 59 -7.562 -3.010 4.138 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.574 -1.540 6.617 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.589 -0.841 5.010 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.662 -0.114 5.437 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.200 -1.779 5.332 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.589 0.717 9.147 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.294 0.572 7.934 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.848 1.318 7.492 1.00 0.00 H new ATOM 881 N LEU A 60 -5.181 -3.052 3.425 1.00 0.00 N ATOM 882 CA LEU A 60 -3.812 -3.255 2.955 1.00 0.00 C ATOM 883 C LEU A 60 -3.255 -1.961 2.373 1.00 0.00 C ATOM 884 O LEU A 60 -3.968 -1.217 1.702 1.00 0.00 O ATOM 885 CB LEU A 60 -3.755 -4.369 1.906 1.00 0.00 C ATOM 886 CG LEU A 60 -4.203 -5.760 2.374 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.719 -6.816 1.402 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.681 -6.080 3.765 1.00 0.00 C ATOM 0 H LEU A 60 -5.840 -2.775 2.697 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.201 -3.553 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.376 -4.075 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.731 -4.443 1.540 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.292 -5.759 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.042 -7.800 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.136 -6.619 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.631 -6.790 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.019 -7.073 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.591 -6.055 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.057 -5.342 4.474 1.00 0.00 H new ATOM 900 N ARG A 61 -1.983 -1.686 2.646 1.00 0.00 N ATOM 901 CA ARG A 61 -1.350 -0.466 2.158 1.00 0.00 C ATOM 902 C ARG A 61 0.092 -0.705 1.722 1.00 0.00 C ATOM 903 O ARG A 61 0.784 -1.564 2.263 1.00 0.00 O ATOM 904 CB ARG A 61 -1.371 0.598 3.255 1.00 0.00 C ATOM 905 CG ARG A 61 -0.759 1.926 2.837 1.00 0.00 C ATOM 906 CD ARG A 61 -1.434 3.095 3.536 1.00 0.00 C ATOM 907 NE ARG A 61 -1.239 3.053 4.983 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.892 3.834 5.841 1.00 0.00 C ATOM 909 NH1 ARG A 61 -2.778 4.718 5.402 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.657 3.729 7.142 1.00 0.00 N ATOM 0 H ARG A 61 -1.373 -2.288 3.199 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.914 -0.129 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.402 0.766 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.834 0.220 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.306 1.927 3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.849 2.045 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.036 4.031 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.501 3.084 3.313 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.564 2.387 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.962 4.802 4.402 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.275 5.314 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.977 3.050 7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.157 4.327 7.800 1.00 0.00 H new ATOM 924 N LEU A 62 0.542 0.087 0.754 1.00 0.00 N ATOM 925 CA LEU A 62 1.911 -0.001 0.257 1.00 0.00 C ATOM 926 C LEU A 62 2.557 1.380 0.273 1.00 0.00 C ATOM 927 O LEU A 62 2.136 2.279 -0.454 1.00 0.00 O ATOM 928 CB LEU A 62 1.942 -0.573 -1.162 1.00 0.00 C ATOM 929 CG LEU A 62 1.327 -1.963 -1.316 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.068 -1.885 -2.149 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.322 -2.941 -1.938 1.00 0.00 C ATOM 0 H LEU A 62 -0.025 0.801 0.296 1.00 0.00 H new ATOM 0 HA LEU A 62 2.471 -0.671 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.417 0.115 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.978 -0.612 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 62 1.071 -2.335 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.362 -2.881 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.652 -1.228 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.309 -1.489 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.856 -3.922 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.619 -2.581 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.202 -3.019 -1.300 1.00 0.00 H new ATOM 943 N ILE A 63 3.574 1.552 1.110 1.00 0.00 N ATOM 944 CA ILE A 63 4.257 2.837 1.211 1.00 0.00 C ATOM 945 C ILE A 63 5.195 3.051 0.033 1.00 0.00 C ATOM 946 O ILE A 63 5.633 2.095 -0.600 1.00 0.00 O ATOM 947 CB ILE A 63 5.063 2.962 2.519 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.305 2.330 3.690 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.367 4.425 2.811 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.906 2.876 3.872 1.00 0.00 C ATOM 0 H ILE A 63 3.942 0.825 1.724 1.00 0.00 H new ATOM 0 HA ILE A 63 3.479 3.601 1.205 1.00 0.00 H new ATOM 0 HB ILE A 63 6.003 2.425 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.248 1.252 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.871 2.491 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.937 4.500 3.737 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.949 4.846 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.433 4.977 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.430 2.382 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.955 3.949 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.323 2.691 2.970 1.00 0.00 H new ATOM 962 N GLY A 64 5.495 4.312 -0.259 1.00 0.00 N ATOM 963 CA GLY A 64 6.379 4.629 -1.365 1.00 0.00 C ATOM 964 C GLY A 64 7.631 5.357 -0.917 1.00 0.00 C ATOM 965 O GLY A 64 7.663 5.945 0.163 1.00 0.00 O ATOM 0 H GLY A 64 5.141 5.121 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.661 3.708 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.844 5.244 -2.089 1.00 0.00 H new ATOM 991 N VAL A 66 9.961 7.932 -0.002 1.00 0.00 N ATOM 992 CA VAL A 66 9.795 9.340 0.333 1.00 0.00 C ATOM 993 C VAL A 66 11.137 10.065 0.362 1.00 0.00 C ATOM 994 O VAL A 66 12.190 9.440 0.494 1.00 0.00 O ATOM 995 CB VAL A 66 9.097 9.509 1.697 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.969 8.970 2.821 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.741 10.968 1.939 1.00 0.00 C ATOM 0 HA VAL A 66 9.171 9.780 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 66 8.173 8.931 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.456 9.100 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.163 7.910 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.914 9.513 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.249 11.067 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.649 11.570 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.069 11.314 1.154 1.00 0.00 H new ATOM 1007 N ASP A 67 11.091 11.388 0.241 1.00 0.00 N ATOM 1008 CA ASP A 67 12.301 12.200 0.257 1.00 0.00 C ATOM 1009 C ASP A 67 12.507 12.838 1.627 1.00 0.00 C ATOM 1010 O ASP A 67 12.840 14.019 1.732 1.00 0.00 O ATOM 1011 CB ASP A 67 12.227 13.285 -0.822 1.00 0.00 C ATOM 1012 CG ASP A 67 11.001 14.163 -0.675 1.00 0.00 C ATOM 1013 OD1 ASP A 67 9.926 13.631 -0.325 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.114 15.385 -0.910 1.00 0.00 O ATOM 0 H ASP A 67 10.228 11.920 0.131 1.00 0.00 H new ATOM 0 HA ASP A 67 13.150 11.550 0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.122 13.905 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.218 12.815 -1.806 1.00 0.00 H new ATOM 1019 N GLU A 68 12.306 12.047 2.675 1.00 0.00 N ATOM 1020 CA GLU A 68 12.467 12.530 4.043 1.00 0.00 C ATOM 1021 C GLU A 68 13.934 12.819 4.361 1.00 0.00 C ATOM 1022 O GLU A 68 14.244 13.438 5.379 1.00 0.00 O ATOM 1023 CB GLU A 68 11.913 11.505 5.034 1.00 0.00 C ATOM 1024 CG GLU A 68 12.668 10.186 5.032 1.00 0.00 C ATOM 1025 CD GLU A 68 12.863 9.623 6.427 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.853 9.265 7.069 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.025 9.540 6.876 1.00 0.00 O ATOM 0 H GLU A 68 12.031 11.067 2.604 1.00 0.00 H new ATOM 0 HA GLU A 68 11.908 13.461 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.943 11.929 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.866 11.315 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.125 9.462 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.641 10.330 4.563 1.00 0.00 H new ATOM 1034 N SER A 69 14.833 12.370 3.488 1.00 0.00 N ATOM 1035 CA SER A 69 16.264 12.586 3.685 1.00 0.00 C ATOM 1036 C SER A 69 16.576 14.067 3.866 1.00 0.00 C ATOM 1037 O SER A 69 17.585 14.432 4.469 1.00 0.00 O ATOM 1038 CB SER A 69 17.054 12.027 2.500 1.00 0.00 C ATOM 1039 OG SER A 69 18.296 11.491 2.923 1.00 0.00 O ATOM 0 H SER A 69 14.597 11.856 2.639 1.00 0.00 H new ATOM 0 HA SER A 69 16.561 12.060 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.470 11.252 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.225 12.816 1.768 1.00 0.00 H new ATOM 0 HG SER A 69 18.781 11.139 2.148 1.00 0.00 H new ATOM 1045 N LYS A 70 15.700 14.917 3.342 1.00 0.00 N ATOM 1046 CA LYS A 70 15.877 16.359 3.448 1.00 0.00 C ATOM 1047 C LYS A 70 15.549 16.840 4.858 1.00 0.00 C ATOM 1048 O LYS A 70 16.437 17.251 5.604 1.00 0.00 O ATOM 1049 CB LYS A 70 14.990 17.080 2.431 1.00 0.00 C ATOM 1050 CG LYS A 70 15.269 16.680 0.990 1.00 0.00 C ATOM 1051 CD LYS A 70 16.572 17.280 0.489 1.00 0.00 C ATOM 1052 CE LYS A 70 16.327 18.528 -0.344 1.00 0.00 C ATOM 1053 NZ LYS A 70 17.399 18.741 -1.355 1.00 0.00 N ATOM 0 H LYS A 70 14.860 14.631 2.839 1.00 0.00 H new ATOM 0 HA LYS A 70 16.921 16.591 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.945 16.873 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.132 18.156 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.315 15.594 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.447 17.009 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.210 17.527 1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.108 16.542 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.364 18.445 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.269 19.397 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.194 19.602 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.315 18.846 -0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.438 17.924 -1.997 1.00 0.00 H new ATOM 1067 N LYS A 71 14.266 16.782 5.214 1.00 0.00 N ATOM 1068 CA LYS A 71 13.805 17.207 6.535 1.00 0.00 C ATOM 1069 C LYS A 71 14.474 18.511 6.961 1.00 0.00 C ATOM 1070 O LYS A 71 15.455 18.504 7.704 1.00 0.00 O ATOM 1071 CB LYS A 71 14.072 16.115 7.575 1.00 0.00 C ATOM 1072 CG LYS A 71 15.494 15.575 7.549 1.00 0.00 C ATOM 1073 CD LYS A 71 15.733 14.586 8.679 1.00 0.00 C ATOM 1074 CE LYS A 71 15.550 13.151 8.211 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.199 12.624 8.549 1.00 0.00 N ATOM 0 H LYS A 71 13.524 16.443 4.602 1.00 0.00 H new ATOM 0 HA LYS A 71 12.731 17.380 6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.863 16.513 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.378 15.291 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.683 15.089 6.592 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.200 16.401 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.742 14.716 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.044 14.794 9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.700 13.099 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.311 12.520 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.115 11.643 8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.064 12.649 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.473 13.211 8.090 1.00 0.00 H new ATOM 1089 N ARG A 72 13.936 19.628 6.484 1.00 0.00 N ATOM 1090 CA ARG A 72 14.483 20.940 6.815 1.00 0.00 C ATOM 1091 C ARG A 72 13.393 21.885 7.312 1.00 0.00 C ATOM 1092 O ARG A 72 12.203 21.595 7.190 1.00 0.00 O ATOM 1093 CB ARG A 72 15.204 21.553 5.608 1.00 0.00 C ATOM 1094 CG ARG A 72 14.678 21.078 4.263 1.00 0.00 C ATOM 1095 CD ARG A 72 13.177 21.284 4.151 1.00 0.00 C ATOM 1096 NE ARG A 72 12.809 21.995 2.929 1.00 0.00 N ATOM 1097 CZ ARG A 72 12.958 23.307 2.762 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.467 24.055 3.734 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.599 23.874 1.619 1.00 0.00 N ATOM 0 H ARG A 72 13.123 19.652 5.868 1.00 0.00 H new ATOM 0 HA ARG A 72 15.206 20.800 7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.115 22.638 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.266 21.317 5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.182 21.619 3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.913 20.022 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.676 20.316 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.823 21.844 5.016 1.00 0.00 H new ATOM 0 HE ARG A 72 12.415 21.454 2.159 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.747 23.625 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.578 25.060 3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.209 23.305 0.868 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.713 24.879 1.491 1.00 0.00 H new ATOM 1113 N LYS A 73 13.810 23.016 7.871 1.00 0.00 N ATOM 1114 CA LYS A 73 12.872 24.006 8.388 1.00 0.00 C ATOM 1115 C LYS A 73 12.317 24.866 7.256 1.00 0.00 C ATOM 1116 O LYS A 73 12.477 24.539 6.081 1.00 0.00 O ATOM 1117 CB LYS A 73 13.554 24.893 9.434 1.00 0.00 C ATOM 1118 CG LYS A 73 14.434 24.128 10.411 1.00 0.00 C ATOM 1119 CD LYS A 73 13.645 23.662 11.625 1.00 0.00 C ATOM 1120 CE LYS A 73 14.562 23.121 12.710 1.00 0.00 C ATOM 1121 NZ LYS A 73 15.348 24.203 13.363 1.00 0.00 N ATOM 0 H LYS A 73 14.792 23.270 7.978 1.00 0.00 H new ATOM 0 HA LYS A 73 12.044 23.476 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.160 25.641 8.923 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.789 25.432 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.873 23.266 9.909 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.259 24.763 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.061 24.492 12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.938 22.889 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.968 22.600 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.243 22.388 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.789 23.836 14.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.088 24.536 12.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.717 24.994 13.603 1.00 0.00 H new ATOM 1135 N ASP A 74 11.667 25.968 7.618 1.00 0.00 N ATOM 1136 CA ASP A 74 11.091 26.873 6.629 1.00 0.00 C ATOM 1137 C ASP A 74 11.868 28.179 6.570 1.00 0.00 C ATOM 1138 O ASP A 74 12.237 28.650 5.495 1.00 0.00 O ATOM 1139 CB ASP A 74 9.622 27.151 6.954 1.00 0.00 C ATOM 1140 CG ASP A 74 8.802 27.441 5.712 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.698 26.546 4.847 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.261 28.562 5.606 1.00 0.00 O ATOM 0 H ASP A 74 11.526 26.255 8.586 1.00 0.00 H new ATOM 0 HA ASP A 74 11.153 26.391 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.198 26.292 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.557 27.999 7.635 1.00 0.00 H new ATOM 1147 N ASN A 75 12.112 28.752 7.737 1.00 0.00 N ATOM 1148 CA ASN A 75 12.850 30.010 7.847 1.00 0.00 C ATOM 1149 C ASN A 75 12.753 30.581 9.256 1.00 0.00 C ATOM 1150 O ASN A 75 13.674 31.240 9.737 1.00 0.00 O ATOM 1151 CB ASN A 75 12.328 31.034 6.833 1.00 0.00 C ATOM 1152 CG ASN A 75 13.252 31.194 5.642 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.098 30.337 5.380 1.00 0.00 O ATOM 1154 ND2 ASN A 75 13.097 32.294 4.915 1.00 0.00 N ATOM 0 H ASN A 75 11.809 28.366 8.631 1.00 0.00 H new ATOM 0 HA ASN A 75 13.897 29.799 7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.342 30.726 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.205 31.998 7.326 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.692 32.456 4.102 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.383 32.977 5.169 1.00 0.00 H new ATOM 1161 N GLU A 76 11.630 30.322 9.909 1.00 0.00 N ATOM 1162 CA GLU A 76 11.401 30.809 11.265 1.00 0.00 C ATOM 1163 C GLU A 76 11.659 29.715 12.299 1.00 0.00 C ATOM 1164 O GLU A 76 11.815 29.999 13.487 1.00 0.00 O ATOM 1165 CB GLU A 76 9.969 31.330 11.406 1.00 0.00 C ATOM 1166 CG GLU A 76 9.749 32.686 10.756 1.00 0.00 C ATOM 1167 CD GLU A 76 8.322 33.177 10.898 1.00 0.00 C ATOM 1168 OE1 GLU A 76 7.991 33.740 11.962 1.00 0.00 O ATOM 1169 OE2 GLU A 76 7.535 32.997 9.945 1.00 0.00 O ATOM 0 H GLU A 76 10.860 29.776 9.522 1.00 0.00 H new ATOM 0 HA GLU A 76 12.101 31.624 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.283 30.608 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.719 31.399 12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.426 33.413 11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.004 32.623 9.698 1.00 0.00 H new ATOM 1176 N GLY A 77 11.702 28.466 11.845 1.00 0.00 N ATOM 1177 CA GLY A 77 11.940 27.357 12.750 1.00 0.00 C ATOM 1178 C GLY A 77 11.013 26.180 12.501 1.00 0.00 C ATOM 1179 O GLY A 77 11.178 25.118 13.103 1.00 0.00 O ATOM 0 H GLY A 77 11.576 28.203 10.868 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.974 27.027 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.815 27.700 13.777 1.00 0.00 H new ATOM 1183 N ASN A 78 10.036 26.364 11.616 1.00 0.00 N ATOM 1184 CA ASN A 78 9.084 25.305 11.296 1.00 0.00 C ATOM 1185 C ASN A 78 9.806 24.058 10.789 1.00 0.00 C ATOM 1186 O ASN A 78 11.022 23.935 10.929 1.00 0.00 O ATOM 1187 CB ASN A 78 8.081 25.793 10.248 1.00 0.00 C ATOM 1188 CG ASN A 78 7.506 27.155 10.588 1.00 0.00 C ATOM 1189 OD1 ASN A 78 6.516 27.259 11.313 1.00 0.00 O ATOM 1190 ND2 ASN A 78 8.125 28.207 10.066 1.00 0.00 N ATOM 0 H ASN A 78 9.883 27.236 11.109 1.00 0.00 H new ATOM 0 HA ASN A 78 8.547 25.044 12.208 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.570 25.841 9.275 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.270 25.070 10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.783 29.148 10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.942 28.074 9.470 1.00 0.00 H new ATOM 1197 N GLU A 79 9.050 23.138 10.201 1.00 0.00 N ATOM 1198 CA GLU A 79 9.620 21.903 9.675 1.00 0.00 C ATOM 1199 C GLU A 79 8.868 21.449 8.429 1.00 0.00 C ATOM 1200 O GLU A 79 7.639 21.391 8.419 1.00 0.00 O ATOM 1201 CB GLU A 79 9.579 20.804 10.739 1.00 0.00 C ATOM 1202 CG GLU A 79 10.606 20.989 11.844 1.00 0.00 C ATOM 1203 CD GLU A 79 11.070 19.672 12.436 1.00 0.00 C ATOM 1204 OE1 GLU A 79 10.904 18.630 11.768 1.00 0.00 O ATOM 1205 OE2 GLU A 79 11.597 19.683 13.568 1.00 0.00 O ATOM 0 H GLU A 79 8.041 23.224 10.076 1.00 0.00 H new ATOM 0 HA GLU A 79 10.658 22.096 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.583 20.775 11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.743 19.839 10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.467 21.528 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.178 21.607 12.633 1.00 0.00 H new ATOM 1212 N VAL A 80 9.616 21.131 7.378 1.00 0.00 N ATOM 1213 CA VAL A 80 9.019 20.686 6.126 1.00 0.00 C ATOM 1214 C VAL A 80 8.964 19.167 6.043 1.00 0.00 C ATOM 1215 O VAL A 80 7.883 18.577 6.048 1.00 0.00 O ATOM 1216 CB VAL A 80 9.794 21.222 4.921 1.00 0.00 C ATOM 1217 CG1 VAL A 80 9.124 20.808 3.619 1.00 0.00 C ATOM 1218 CG2 VAL A 80 9.935 22.734 5.008 1.00 0.00 C ATOM 0 H VAL A 80 10.635 21.173 7.369 1.00 0.00 H new ATOM 0 HA VAL A 80 8.003 21.081 6.106 1.00 0.00 H new ATOM 0 HB VAL A 80 10.793 20.787 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.693 21.201 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.089 19.720 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.110 21.206 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.489 23.098 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.946 23.191 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.472 22.998 5.919 1.00 0.00 H new ATOM 1228 N VAL A 81 10.139 18.542 5.972 1.00 0.00 N ATOM 1229 CA VAL A 81 10.249 17.089 5.889 1.00 0.00 C ATOM 1230 C VAL A 81 9.099 16.480 5.084 1.00 0.00 C ATOM 1231 O VAL A 81 8.119 15.993 5.647 1.00 0.00 O ATOM 1232 CB VAL A 81 10.309 16.472 7.296 1.00 0.00 C ATOM 1233 CG1 VAL A 81 9.136 16.940 8.141 1.00 0.00 C ATOM 1234 CG2 VAL A 81 10.366 14.953 7.226 1.00 0.00 C ATOM 0 H VAL A 81 11.036 19.027 5.970 1.00 0.00 H new ATOM 0 HA VAL A 81 11.176 16.858 5.364 1.00 0.00 H new ATOM 0 HB VAL A 81 11.226 16.814 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.199 16.491 9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.164 18.026 8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.202 16.640 7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.408 14.544 8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.477 14.579 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.254 14.647 6.673 1.00 0.00 H new ATOM 1244 N PRO A 82 9.210 16.509 3.744 1.00 0.00 N ATOM 1245 CA PRO A 82 8.184 15.972 2.848 1.00 0.00 C ATOM 1246 C PRO A 82 7.618 14.638 3.328 1.00 0.00 C ATOM 1247 O PRO A 82 8.366 13.703 3.616 1.00 0.00 O ATOM 1248 CB PRO A 82 8.941 15.794 1.535 1.00 0.00 C ATOM 1249 CG PRO A 82 9.972 16.872 1.551 1.00 0.00 C ATOM 1250 CD PRO A 82 10.349 17.079 2.996 1.00 0.00 C ATOM 0 HA PRO A 82 7.316 16.628 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.399 14.807 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.276 15.893 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.842 16.586 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.579 17.791 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.282 16.573 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.489 18.135 3.225 1.00 0.00 H new ATOM 1258 N LYS A 83 6.294 14.559 3.408 1.00 0.00 N ATOM 1259 CA LYS A 83 5.625 13.340 3.853 1.00 0.00 C ATOM 1260 C LYS A 83 5.757 12.235 2.812 1.00 0.00 C ATOM 1261 O LYS A 83 6.025 12.497 1.639 1.00 0.00 O ATOM 1262 CB LYS A 83 4.149 13.617 4.139 1.00 0.00 C ATOM 1263 CG LYS A 83 3.396 14.194 2.951 1.00 0.00 C ATOM 1264 CD LYS A 83 1.954 13.712 2.918 1.00 0.00 C ATOM 1265 CE LYS A 83 1.008 14.817 2.476 1.00 0.00 C ATOM 1266 NZ LYS A 83 0.413 15.536 3.637 1.00 0.00 N ATOM 0 H LYS A 83 5.662 15.324 3.171 1.00 0.00 H new ATOM 0 HA LYS A 83 6.108 13.006 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.667 12.689 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.074 14.310 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.416 15.283 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.898 13.908 2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.868 12.864 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.665 13.358 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.546 15.526 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.212 14.391 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.226 16.281 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.122 14.865 4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.171 15.965 4.205 1.00 0.00 H new ATOM 1280 N PRO A 84 5.586 10.976 3.242 1.00 0.00 N ATOM 1281 CA PRO A 84 5.698 9.806 2.375 1.00 0.00 C ATOM 1282 C PRO A 84 4.399 9.501 1.636 1.00 0.00 C ATOM 1283 O PRO A 84 3.309 9.804 2.124 1.00 0.00 O ATOM 1284 CB PRO A 84 6.036 8.671 3.363 1.00 0.00 C ATOM 1285 CG PRO A 84 6.084 9.310 4.722 1.00 0.00 C ATOM 1286 CD PRO A 84 5.290 10.571 4.612 1.00 0.00 C ATOM 0 HA PRO A 84 6.441 9.947 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.282 7.885 3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.991 8.208 3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.663 8.649 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.112 9.520 5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.225 10.401 4.770 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.604 11.320 5.339 1.00 0.00 H new ATOM 1311 N ARG A 86 1.944 6.695 0.313 1.00 0.00 N ATOM 1312 CA ARG A 86 1.557 5.296 0.450 1.00 0.00 C ATOM 1313 C ARG A 86 0.191 5.048 -0.180 1.00 0.00 C ATOM 1314 O ARG A 86 -0.682 5.916 -0.145 1.00 0.00 O ATOM 1315 CB ARG A 86 1.524 4.903 1.929 1.00 0.00 C ATOM 1316 CG ARG A 86 0.833 5.927 2.814 1.00 0.00 C ATOM 1317 CD ARG A 86 0.863 5.511 4.276 1.00 0.00 C ATOM 1318 NE ARG A 86 0.038 6.381 5.110 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.421 7.583 5.534 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.615 8.061 5.206 1.00 0.00 N ATOM 1321 NH2 ARG A 86 -0.391 8.309 6.290 1.00 0.00 N ATOM 0 HA ARG A 86 2.295 4.685 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.015 3.945 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.545 4.760 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.320 6.895 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.201 6.050 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.513 4.483 4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.891 5.531 4.637 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.886 6.048 5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.245 7.506 4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.903 8.983 5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.309 7.946 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.098 9.230 6.615 1.00 0.00 H new ATOM 1335 N HIS A 87 0.003 3.860 -0.750 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.269 3.516 -1.373 1.00 0.00 C ATOM 1337 C HIS A 87 -2.096 2.659 -0.424 1.00 0.00 C ATOM 1338 O HIS A 87 -1.745 1.514 -0.143 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.033 2.776 -2.693 1.00 0.00 C ATOM 1340 CG HIS A 87 0.202 3.219 -3.415 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.195 4.189 -4.396 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.491 2.822 -3.289 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.426 4.369 -4.841 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.231 3.553 -4.185 1.00 0.00 N ATOM 0 H HIS A 87 0.710 3.126 -0.793 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.817 4.434 -1.587 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.963 1.707 -2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.896 2.923 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.867 2.071 -2.610 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.724 5.066 -5.611 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.239 3.478 -4.322 1.00 0.00 H new ATOM 1353 N MET A 88 -3.186 3.226 0.081 1.00 0.00 N ATOM 1354 CA MET A 88 -4.050 2.518 1.017 1.00 0.00 C ATOM 1355 C MET A 88 -5.206 1.827 0.308 1.00 0.00 C ATOM 1356 O MET A 88 -5.848 2.403 -0.571 1.00 0.00 O ATOM 1357 CB MET A 88 -4.594 3.486 2.071 1.00 0.00 C ATOM 1358 CG MET A 88 -5.064 2.797 3.343 1.00 0.00 C ATOM 1359 SD MET A 88 -5.604 3.966 4.606 1.00 0.00 S ATOM 1360 CE MET A 88 -5.845 2.869 6.002 1.00 0.00 C ATOM 0 H MET A 88 -3.492 4.173 -0.142 1.00 0.00 H new ATOM 0 HA MET A 88 -3.447 1.751 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.818 4.208 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.425 4.047 1.643 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.885 2.121 3.104 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.254 2.186 3.741 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.181 3.445 6.864 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.597 2.121 5.751 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.905 2.373 6.241 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.471 0.591 0.711 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.555 -0.192 0.136 1.00 0.00 C ATOM 1372 C PHE A 89 -7.374 -0.855 1.239 1.00 0.00 C ATOM 1373 O PHE A 89 -6.862 -1.689 1.986 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.005 -1.260 -0.810 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.009 -0.736 -1.805 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.692 -0.522 -1.439 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.390 -0.471 -3.112 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.772 -0.049 -2.355 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.473 -0.001 -4.033 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.162 0.210 -3.654 1.00 0.00 C ATOM 0 H PHE A 89 -4.945 0.107 1.439 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.198 0.482 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.535 -2.047 -0.220 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.835 -1.717 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.379 -0.727 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.414 -0.634 -3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.748 0.118 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.781 0.201 -5.048 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.443 0.577 -4.372 1.00 0.00 H new ATOM 1390 N SER A 90 -8.645 -0.482 1.338 1.00 0.00 N ATOM 1391 CA SER A 90 -9.525 -1.047 2.355 1.00 0.00 C ATOM 1392 C SER A 90 -10.171 -2.333 1.857 1.00 0.00 C ATOM 1393 O SER A 90 -10.937 -2.325 0.895 1.00 0.00 O ATOM 1394 CB SER A 90 -10.610 -0.041 2.743 1.00 0.00 C ATOM 1395 OG SER A 90 -10.197 1.286 2.469 1.00 0.00 O ATOM 0 H SER A 90 -9.088 0.206 0.729 1.00 0.00 H new ATOM 0 HA SER A 90 -8.921 -1.275 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.526 -0.260 2.195 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.841 -0.142 3.803 1.00 0.00 H new ATOM 0 HG SER A 90 -10.909 1.909 2.724 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.849 -3.437 2.517 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.390 -4.735 2.140 1.00 0.00 C ATOM 1403 C PHE A 91 -11.682 -5.044 2.890 1.00 0.00 C ATOM 1404 O PHE A 91 -11.791 -4.801 4.092 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.358 -5.826 2.409 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.328 -5.936 1.328 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.528 -4.853 1.001 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.164 -7.120 0.634 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.582 -4.952 0.000 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.222 -7.226 -0.369 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.428 -6.139 -0.687 1.00 0.00 C ATOM 0 H PHE A 91 -9.216 -3.459 3.316 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.621 -4.705 1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.861 -5.622 3.357 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.869 -6.783 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.646 -3.921 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.780 -7.972 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.963 -4.101 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.105 -8.156 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.689 -6.219 -1.471 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.656 -5.588 2.166 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.943 -5.944 2.752 1.00 0.00 C ATOM 1423 C ASN A 92 -14.016 -7.446 3.011 1.00 0.00 C ATOM 1424 O ASN A 92 -15.091 -8.044 2.974 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.083 -5.518 1.825 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.597 -4.127 2.142 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.473 -3.649 3.269 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.178 -3.470 1.145 1.00 0.00 N ATOM 0 H ASN A 92 -12.577 -5.792 1.170 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.045 -5.420 3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.738 -5.548 0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.902 -6.233 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.543 -2.530 1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.259 -3.905 0.226 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.858 -8.048 3.266 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.773 -9.480 3.528 1.00 0.00 C ATOM 1437 C ASN A 93 -11.347 -9.871 3.883 1.00 0.00 C ATOM 1438 O ASN A 93 -10.425 -9.687 3.090 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.249 -10.272 2.308 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.667 -10.784 2.467 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.277 -10.639 3.527 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.199 -11.389 1.412 1.00 0.00 N ATOM 0 H ASN A 93 -11.961 -7.563 3.297 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.419 -9.716 4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.192 -9.639 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.578 -11.115 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.150 -11.756 1.460 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.657 -11.487 0.553 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.175 -10.417 5.081 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.859 -10.839 5.541 1.00 0.00 C ATOM 1451 C ARG A 94 -9.287 -11.916 4.625 1.00 0.00 C ATOM 1452 O ARG A 94 -8.093 -12.206 4.667 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.935 -11.358 6.980 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.618 -11.914 7.500 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.302 -11.393 8.893 1.00 0.00 C ATOM 1456 NE ARG A 94 -9.351 -11.725 9.853 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.489 -12.923 10.417 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.646 -13.904 10.120 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.471 -13.140 11.282 1.00 0.00 N ATOM 0 H ARG A 94 -11.929 -10.577 5.749 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.197 -9.974 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.260 -10.548 7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.695 -12.137 7.036 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.665 -13.003 7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.813 -11.642 6.818 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.355 -11.814 9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.175 -10.311 8.855 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.018 -10.996 10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.888 -13.742 9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.756 -14.820 10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.121 -12.389 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.577 -14.058 11.714 1.00 0.00 H new ATOM 1473 N THR A 95 -10.143 -12.505 3.794 1.00 0.00 N ATOM 1474 CA THR A 95 -9.710 -13.542 2.873 1.00 0.00 C ATOM 1475 C THR A 95 -8.954 -12.929 1.701 1.00 0.00 C ATOM 1476 O THR A 95 -7.872 -13.387 1.337 1.00 0.00 O ATOM 1477 CB THR A 95 -10.918 -14.343 2.390 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.022 -15.567 3.096 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.895 -14.669 0.914 1.00 0.00 C ATOM 0 H THR A 95 -11.137 -12.280 3.742 1.00 0.00 H new ATOM 0 HA THR A 95 -9.031 -14.220 3.390 1.00 0.00 H new ATOM 0 HB THR A 95 -11.773 -13.695 2.579 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.802 -16.065 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.787 -15.239 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.873 -13.744 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.008 -15.260 0.686 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.530 -11.883 1.125 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.900 -11.196 0.002 1.00 0.00 C ATOM 1489 C VAL A 96 -7.629 -10.510 0.469 1.00 0.00 C ATOM 1490 O VAL A 96 -6.597 -10.563 -0.200 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.826 -10.145 -0.650 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.752 -10.239 -2.165 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.258 -10.298 -0.166 1.00 0.00 C ATOM 0 H VAL A 96 -10.427 -11.492 1.413 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.678 -11.954 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.480 -9.156 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.410 -9.492 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.728 -10.059 -2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.065 -11.233 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.885 -9.545 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.625 -11.292 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.292 -10.168 0.916 1.00 0.00 H new ATOM 1503 N MET A 97 -7.712 -9.874 1.633 1.00 0.00 N ATOM 1504 CA MET A 97 -6.561 -9.187 2.198 1.00 0.00 C ATOM 1505 C MET A 97 -5.478 -10.197 2.559 1.00 0.00 C ATOM 1506 O MET A 97 -4.288 -9.936 2.387 1.00 0.00 O ATOM 1507 CB MET A 97 -6.976 -8.363 3.422 1.00 0.00 C ATOM 1508 CG MET A 97 -7.004 -9.143 4.727 1.00 0.00 C ATOM 1509 SD MET A 97 -5.450 -9.037 5.631 1.00 0.00 S ATOM 1510 CE MET A 97 -5.958 -8.036 7.023 1.00 0.00 C ATOM 0 H MET A 97 -8.559 -9.821 2.199 1.00 0.00 H new ATOM 0 HA MET A 97 -6.157 -8.500 1.454 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.289 -7.524 3.530 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.966 -7.943 3.243 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.811 -8.765 5.354 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.227 -10.189 4.516 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.213 -7.261 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.919 -7.571 6.805 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.052 -8.665 7.908 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.905 -11.361 3.042 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.970 -12.417 3.405 1.00 0.00 C ATOM 1522 C ASP A 98 -4.242 -12.926 2.167 1.00 0.00 C ATOM 1523 O ASP A 98 -3.114 -13.409 2.249 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.701 -13.569 4.094 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.800 -13.377 5.596 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.731 -12.215 6.050 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.946 -14.387 6.315 1.00 0.00 O ATOM 0 H ASP A 98 -6.887 -11.594 3.190 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.239 -12.004 4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.703 -13.661 3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.180 -14.503 3.884 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.899 -12.802 1.018 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.327 -13.236 -0.251 1.00 0.00 C ATOM 1534 C ASN A 99 -3.382 -12.174 -0.805 1.00 0.00 C ATOM 1535 O ASN A 99 -2.230 -12.460 -1.127 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.436 -13.528 -1.264 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.120 -14.856 -1.006 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.467 -15.892 -0.893 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.444 -14.830 -0.911 1.00 0.00 N ATOM 0 H ASN A 99 -5.834 -12.402 0.940 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.760 -14.150 -0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.176 -12.728 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.015 -13.529 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.960 -15.693 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.945 -13.947 -1.011 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.876 -10.944 -0.904 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.070 -9.839 -1.407 1.00 0.00 C ATOM 1548 C ILE A 100 -1.885 -9.582 -0.487 1.00 0.00 C ATOM 1549 O ILE A 100 -0.729 -9.662 -0.902 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.900 -8.544 -1.527 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.125 -8.776 -2.415 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.045 -7.403 -2.070 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.805 -8.824 -3.890 1.00 0.00 C ATOM 0 H ILE A 100 -4.828 -10.688 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.715 -10.123 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.245 -8.262 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.601 -9.713 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.849 -7.981 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.650 -6.500 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.208 -7.223 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.666 -7.670 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.721 -8.991 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.357 -7.879 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.105 -9.637 -4.084 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.186 -9.278 0.771 1.00 0.00 N ATOM 1566 CA LYS A 101 -1.159 -9.008 1.768 1.00 0.00 C ATOM 1567 C LYS A 101 -0.060 -10.067 1.737 1.00 0.00 C ATOM 1568 O LYS A 101 1.114 -9.766 1.953 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.783 -8.966 3.163 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.794 -8.606 4.261 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.951 -9.510 5.474 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.308 -9.325 6.134 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.226 -9.449 7.615 1.00 0.00 N ATOM 0 H LYS A 101 -3.140 -9.212 1.125 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.713 -8.042 1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.597 -8.241 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.222 -9.939 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.223 -8.686 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.942 -7.568 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.831 -10.550 5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.162 -9.294 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.708 -8.345 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.005 -10.068 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.172 -9.317 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.868 -10.393 7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.581 -8.724 7.989 1.00 0.00 H new ATOM 1587 N MET A 102 -0.452 -11.312 1.483 1.00 0.00 N ATOM 1588 CA MET A 102 0.496 -12.417 1.442 1.00 0.00 C ATOM 1589 C MET A 102 1.178 -12.524 0.086 1.00 0.00 C ATOM 1590 O MET A 102 2.362 -12.849 0.003 1.00 0.00 O ATOM 1591 CB MET A 102 -0.208 -13.734 1.790 1.00 0.00 C ATOM 1592 CG MET A 102 -0.974 -14.371 0.637 1.00 0.00 C ATOM 1593 SD MET A 102 -1.379 -16.101 0.946 1.00 0.00 S ATOM 1594 CE MET A 102 -2.207 -15.982 2.530 1.00 0.00 C ATOM 0 H MET A 102 -1.420 -11.579 1.303 1.00 0.00 H new ATOM 0 HA MET A 102 1.269 -12.218 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.537 -14.444 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.900 -13.554 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.893 -13.812 0.463 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.380 -14.298 -0.274 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.217 -16.961 3.010 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.677 -15.272 3.165 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.231 -15.641 2.380 1.00 0.00 H new ATOM 1604 N THR A 103 0.427 -12.270 -0.979 1.00 0.00 N ATOM 1605 CA THR A 103 0.974 -12.366 -2.316 1.00 0.00 C ATOM 1606 C THR A 103 1.955 -11.231 -2.593 1.00 0.00 C ATOM 1607 O THR A 103 2.879 -11.383 -3.389 1.00 0.00 O ATOM 1608 CB THR A 103 -0.156 -12.387 -3.349 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.462 -13.716 -3.729 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.163 -11.616 -4.605 1.00 0.00 C ATOM 0 H THR A 103 -0.555 -11.998 -0.938 1.00 0.00 H new ATOM 0 HA THR A 103 1.529 -13.301 -2.395 1.00 0.00 H new ATOM 0 HB THR A 103 -1.003 -11.909 -2.856 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.187 -13.709 -4.388 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.681 -11.674 -5.292 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.355 -10.573 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.046 -12.043 -5.080 1.00 0.00 H new ATOM 1618 N LEU A 104 1.764 -10.101 -1.929 1.00 0.00 N ATOM 1619 CA LEU A 104 2.664 -8.975 -2.114 1.00 0.00 C ATOM 1620 C LEU A 104 4.004 -9.298 -1.470 1.00 0.00 C ATOM 1621 O LEU A 104 5.064 -9.032 -2.036 1.00 0.00 O ATOM 1622 CB LEU A 104 2.088 -7.698 -1.493 1.00 0.00 C ATOM 1623 CG LEU A 104 0.691 -7.297 -1.971 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.068 -6.595 -0.853 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.775 -6.399 -3.198 1.00 0.00 C ATOM 0 H LEU A 104 1.005 -9.941 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 104 2.792 -8.803 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.059 -7.824 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.772 -6.875 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 104 0.151 -8.203 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.060 -6.315 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.163 -7.267 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.475 -5.700 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.230 -6.127 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.334 -5.496 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.282 -6.930 -4.004 1.00 0.00 H new ATOM 1637 N GLN A 105 3.934 -9.873 -0.273 1.00 0.00 N ATOM 1638 CA GLN A 105 5.119 -10.240 0.493 1.00 0.00 C ATOM 1639 C GLN A 105 5.969 -11.296 -0.216 1.00 0.00 C ATOM 1640 O GLN A 105 7.181 -11.126 -0.350 1.00 0.00 O ATOM 1641 CB GLN A 105 4.710 -10.755 1.875 1.00 0.00 C ATOM 1642 CG GLN A 105 5.095 -9.823 3.011 1.00 0.00 C ATOM 1643 CD GLN A 105 4.069 -9.815 4.127 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.360 -10.206 5.257 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.859 -9.366 3.814 1.00 0.00 N ATOM 0 H GLN A 105 3.054 -10.097 0.192 1.00 0.00 H new ATOM 0 HA GLN A 105 5.727 -9.341 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.631 -10.908 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.172 -11.728 2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.062 -10.125 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.213 -8.811 2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.662 -9.052 2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.127 -9.336 4.524 1.00 0.00 H new ATOM 1654 N GLN A 106 5.347 -12.394 -0.661 1.00 0.00 N ATOM 1655 CA GLN A 106 6.097 -13.458 -1.337 1.00 0.00 C ATOM 1656 C GLN A 106 6.985 -12.878 -2.431 1.00 0.00 C ATOM 1657 O GLN A 106 8.055 -13.409 -2.729 1.00 0.00 O ATOM 1658 CB GLN A 106 5.161 -14.515 -1.928 1.00 0.00 C ATOM 1659 CG GLN A 106 3.852 -13.958 -2.455 1.00 0.00 C ATOM 1660 CD GLN A 106 3.604 -14.319 -3.907 1.00 0.00 C ATOM 1661 OE1 GLN A 106 3.433 -13.444 -4.756 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.583 -15.614 -4.198 1.00 0.00 N ATOM 0 H GLN A 106 4.346 -12.568 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 106 6.725 -13.941 -0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.677 -15.029 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.944 -15.261 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.030 -14.335 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.855 -12.873 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.730 -16.305 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.420 -15.918 -5.158 1.00 0.00 H new ATOM 1671 N ILE A 107 6.534 -11.775 -3.012 1.00 0.00 N ATOM 1672 CA ILE A 107 7.279 -11.098 -4.063 1.00 0.00 C ATOM 1673 C ILE A 107 8.306 -10.148 -3.459 1.00 0.00 C ATOM 1674 O ILE A 107 9.489 -10.206 -3.783 1.00 0.00 O ATOM 1675 CB ILE A 107 6.344 -10.315 -4.995 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.107 -11.147 -5.344 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.093 -9.924 -6.250 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.951 -10.321 -5.866 1.00 0.00 C ATOM 0 H ILE A 107 5.650 -11.328 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 107 7.790 -11.862 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 107 6.008 -9.413 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.379 -11.891 -6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.783 -11.691 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.429 -9.368 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.947 -9.300 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.444 -10.822 -6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.109 -10.975 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.652 -9.594 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.258 -9.797 -6.772 1.00 0.00 H new ATOM 1690 N ILE A 108 7.839 -9.279 -2.571 1.00 0.00 N ATOM 1691 CA ILE A 108 8.712 -8.314 -1.899 1.00 0.00 C ATOM 1692 C ILE A 108 10.019 -8.957 -1.472 1.00 0.00 C ATOM 1693 O ILE A 108 11.100 -8.511 -1.847 1.00 0.00 O ATOM 1694 CB ILE A 108 8.043 -7.707 -0.649 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.655 -7.156 -1.003 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.941 -6.634 -0.039 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.404 -5.728 -0.556 1.00 0.00 C ATOM 0 H ILE A 108 6.858 -9.220 -2.296 1.00 0.00 H new ATOM 0 HA ILE A 108 8.906 -7.524 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 108 7.906 -8.487 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.522 -7.212 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.899 -7.800 -0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.458 -6.213 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.895 -7.077 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.113 -5.844 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.399 -5.426 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.500 -5.664 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.133 -5.067 -1.024 1.00 0.00 H new ATOM 1709 N SER A 109 9.900 -10.010 -0.686 1.00 0.00 N ATOM 1710 CA SER A 109 11.063 -10.740 -0.189 1.00 0.00 C ATOM 1711 C SER A 109 12.059 -11.024 -1.309 1.00 0.00 C ATOM 1712 O SER A 109 13.261 -11.139 -1.072 1.00 0.00 O ATOM 1713 CB SER A 109 10.627 -12.050 0.469 1.00 0.00 C ATOM 1714 OG SER A 109 9.438 -12.546 -0.121 1.00 0.00 O ATOM 0 H SER A 109 9.005 -10.385 -0.373 1.00 0.00 H new ATOM 0 HA SER A 109 11.557 -10.114 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.421 -12.791 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.468 -11.890 1.535 1.00 0.00 H new ATOM 0 HG SER A 109 8.668 -12.050 0.228 1.00 0.00 H new ATOM 1720 N ARG A 110 11.550 -11.132 -2.528 1.00 0.00 N ATOM 1721 CA ARG A 110 12.391 -11.396 -3.687 1.00 0.00 C ATOM 1722 C ARG A 110 13.200 -10.161 -4.074 1.00 0.00 C ATOM 1723 O ARG A 110 14.262 -10.274 -4.678 1.00 0.00 O ATOM 1724 CB ARG A 110 11.547 -11.874 -4.871 1.00 0.00 C ATOM 1725 CG ARG A 110 11.796 -13.325 -5.243 1.00 0.00 C ATOM 1726 CD ARG A 110 10.776 -13.829 -6.254 1.00 0.00 C ATOM 1727 NE ARG A 110 11.403 -14.221 -7.515 1.00 0.00 N ATOM 1728 CZ ARG A 110 11.714 -13.366 -8.487 1.00 0.00 C ATOM 1729 NH1 ARG A 110 11.461 -12.071 -8.350 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.281 -13.809 -9.601 1.00 0.00 N ATOM 0 H ARG A 110 10.557 -11.041 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 110 13.090 -12.188 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.492 -11.744 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.757 -11.244 -5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.799 -13.428 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.756 -13.943 -4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.241 -14.681 -5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 110 10.037 -13.050 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 110 11.615 -15.208 -7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 110 11.025 -11.724 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.702 -11.422 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.478 -14.804 -9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.520 -13.155 -10.347 1.00 0.00 H new ATOM 1744 N TYR A 111 12.698 -8.982 -3.715 1.00 0.00 N ATOM 1745 CA TYR A 111 13.392 -7.737 -4.025 1.00 0.00 C ATOM 1746 C TYR A 111 14.594 -7.589 -3.109 1.00 0.00 C ATOM 1747 O TYR A 111 15.643 -7.087 -3.512 1.00 0.00 O ATOM 1748 CB TYR A 111 12.480 -6.511 -3.860 1.00 0.00 C ATOM 1749 CG TYR A 111 11.026 -6.709 -4.248 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.602 -7.803 -4.997 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.069 -5.779 -3.854 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.277 -7.962 -5.336 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.738 -5.932 -4.192 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.348 -7.025 -4.932 1.00 0.00 C ATOM 1755 OH TYR A 111 7.024 -7.180 -5.269 1.00 0.00 O ATOM 0 H TYR A 111 11.818 -8.864 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 111 13.706 -7.784 -5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.518 -6.192 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.888 -5.696 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.324 -8.539 -5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.372 -4.921 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.966 -8.818 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.009 -5.199 -3.878 1.00 0.00 H new ATOM 0 HH TYR A 111 6.501 -7.366 -4.462 1.00 0.00 H new ATOM 1765 N LYS A 112 14.433 -8.052 -1.875 1.00 0.00 N ATOM 1766 CA LYS A 112 15.501 -7.999 -0.893 1.00 0.00 C ATOM 1767 C LYS A 112 16.406 -9.178 -1.132 1.00 0.00 C ATOM 1768 O LYS A 112 17.632 -9.067 -1.131 1.00 0.00 O ATOM 1769 CB LYS A 112 14.978 -8.030 0.550 1.00 0.00 C ATOM 1770 CG LYS A 112 13.510 -8.366 0.658 1.00 0.00 C ATOM 1771 CD LYS A 112 12.672 -7.263 0.054 1.00 0.00 C ATOM 1772 CE LYS A 112 12.697 -6.022 0.911 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.451 -5.219 0.771 1.00 0.00 N ATOM 0 H LYS A 112 13.568 -8.470 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 112 16.035 -7.056 -1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.552 -8.762 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.154 -7.058 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.307 -9.307 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.238 -8.507 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.043 -7.026 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.644 -7.607 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.829 -6.306 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.555 -5.409 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.650 -4.225 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.106 -5.281 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.725 -5.588 1.418 1.00 0.00 H new ATOM 1787 N ASP A 113 15.764 -10.309 -1.375 1.00 0.00 N ATOM 1788 CA ASP A 113 16.472 -11.540 -1.669 1.00 0.00 C ATOM 1789 C ASP A 113 17.284 -11.351 -2.938 1.00 0.00 C ATOM 1790 O ASP A 113 18.366 -11.917 -3.096 1.00 0.00 O ATOM 1791 CB ASP A 113 15.493 -12.705 -1.833 1.00 0.00 C ATOM 1792 CG ASP A 113 16.198 -14.043 -1.931 1.00 0.00 C ATOM 1793 OD1 ASP A 113 17.028 -14.343 -1.046 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.920 -14.792 -2.890 1.00 0.00 O ATOM 0 H ASP A 113 14.748 -10.398 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 113 17.137 -11.778 -0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.806 -12.721 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.892 -12.548 -2.729 1.00 0.00 H new ATOM 1799 N ALA A 114 16.753 -10.524 -3.833 1.00 0.00 N ATOM 1800 CA ALA A 114 17.422 -10.219 -5.082 1.00 0.00 C ATOM 1801 C ALA A 114 18.284 -8.969 -4.942 1.00 0.00 C ATOM 1802 O ALA A 114 19.188 -8.734 -5.746 1.00 0.00 O ATOM 1803 CB ALA A 114 16.414 -10.047 -6.208 1.00 0.00 C ATOM 0 H ALA A 114 15.856 -10.053 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 114 18.072 -11.058 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.940 -9.819 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.845 -10.969 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.734 -9.230 -5.966 1.00 0.00 H new