USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot 85:sc= 0.746 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot -82:sc= 2.33 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.3: A 89 LYS NZ :NH3+ -159:sc= 1.21 (180deg=-0.0129) USER MOD Set 3.1: A 9 HIS : no HD1:sc= 0.0173 X(o=-0.29,f=-0.52) USER MOD Set 3.2: A 12 SER OG : rot -139:sc= -0.308 USER MOD Single : A 1 MET CE :methyl 145:sc= -0.0926 (180deg=-0.605) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.16) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.086) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 47:sc= 0.128 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0691 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= 1.1 (180deg=0.918) USER MOD Single : A 48 MET CE :methyl -140:sc= -0.0378 (180deg=-2.19) USER MOD Single : A 52 SER OG : rot -5:sc= 1.47 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= 0.469 (180deg=-0.0468) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 1.82 (180deg=0.66) USER MOD Single : A 98 GLN : amide:sc= -0.0106 K(o=-0.011,f=-1.1) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.0754 (180deg=-0.0954) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -36.473 -11.548 -26.211 1.00 0.00 N ATOM 2 CA MET A 1 -36.263 -10.292 -26.963 1.00 0.00 C ATOM 3 C MET A 1 -36.563 -9.088 -26.082 1.00 0.00 C ATOM 4 O MET A 1 -37.717 -8.701 -25.908 1.00 0.00 O ATOM 5 CB MET A 1 -37.148 -10.263 -28.214 1.00 0.00 C ATOM 6 CG MET A 1 -36.966 -9.015 -29.066 1.00 0.00 C ATOM 7 SD MET A 1 -37.902 -9.077 -30.609 1.00 0.00 S ATOM 8 CE MET A 1 -39.568 -9.319 -29.992 1.00 0.00 C ATOM 0 H1 MET A 1 -36.264 -12.360 -26.826 1.00 0.00 H new ATOM 0 H2 MET A 1 -35.841 -11.568 -25.385 1.00 0.00 H new ATOM 0 H3 MET A 1 -37.462 -11.601 -25.892 1.00 0.00 H new ATOM 0 HA MET A 1 -35.219 -10.247 -27.272 1.00 0.00 H new ATOM 0 HB2 MET A 1 -36.931 -11.141 -28.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 -38.192 -10.335 -27.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 -37.277 -8.141 -28.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 -35.908 -8.887 -29.293 1.00 0.00 H new ATOM 0 HE1 MET A 1 -40.274 -8.791 -30.634 1.00 0.00 H new ATOM 0 HE2 MET A 1 -39.804 -10.383 -29.990 1.00 0.00 H new ATOM 0 HE3 MET A 1 -39.640 -8.930 -28.976 1.00 0.00 H new ATOM 18 N GLY A 2 -35.513 -8.525 -25.505 1.00 0.00 N ATOM 19 CA GLY A 2 -35.645 -7.324 -24.708 1.00 0.00 C ATOM 20 C GLY A 2 -34.718 -6.238 -25.200 1.00 0.00 C ATOM 21 O GLY A 2 -34.941 -5.050 -24.953 1.00 0.00 O ATOM 0 H GLY A 2 -34.561 -8.884 -25.576 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -36.676 -6.971 -24.746 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -35.423 -7.550 -23.665 1.00 0.00 H new ATOM 25 N SER A 3 -33.672 -6.653 -25.900 1.00 0.00 N ATOM 26 CA SER A 3 -32.746 -5.724 -26.509 1.00 0.00 C ATOM 27 C SER A 3 -33.320 -5.205 -27.821 1.00 0.00 C ATOM 28 O SER A 3 -34.056 -5.912 -28.512 1.00 0.00 O ATOM 29 CB SER A 3 -31.406 -6.412 -26.765 1.00 0.00 C ATOM 30 OG SER A 3 -30.923 -7.055 -25.595 1.00 0.00 O ATOM 0 H SER A 3 -33.447 -7.635 -26.058 1.00 0.00 H new ATOM 0 HA SER A 3 -32.590 -4.885 -25.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.518 -7.144 -27.565 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.677 -5.677 -27.106 1.00 0.00 H new ATOM 0 HG SER A 3 -30.066 -7.488 -25.790 1.00 0.00 H new ATOM 36 N SER A 4 -32.987 -3.977 -28.158 1.00 0.00 N ATOM 37 CA SER A 4 -33.453 -3.383 -29.390 1.00 0.00 C ATOM 38 C SER A 4 -32.285 -2.720 -30.106 1.00 0.00 C ATOM 39 O SER A 4 -31.873 -1.615 -29.749 1.00 0.00 O ATOM 40 CB SER A 4 -34.568 -2.366 -29.105 1.00 0.00 C ATOM 41 OG SER A 4 -35.153 -1.889 -30.306 1.00 0.00 O ATOM 0 H SER A 4 -32.393 -3.370 -27.593 1.00 0.00 H new ATOM 0 HA SER A 4 -33.865 -4.161 -30.033 1.00 0.00 H new ATOM 0 HB2 SER A 4 -35.335 -2.829 -28.484 1.00 0.00 H new ATOM 0 HB3 SER A 4 -34.162 -1.528 -28.538 1.00 0.00 H new ATOM 0 HG SER A 4 -35.860 -1.245 -30.092 1.00 0.00 H new ATOM 47 N HIS A 5 -31.712 -3.416 -31.082 1.00 0.00 N ATOM 48 CA HIS A 5 -30.642 -2.837 -31.885 1.00 0.00 C ATOM 49 C HIS A 5 -31.232 -1.893 -32.925 1.00 0.00 C ATOM 50 O HIS A 5 -31.384 -2.229 -34.100 1.00 0.00 O ATOM 51 CB HIS A 5 -29.743 -3.909 -32.533 1.00 0.00 C ATOM 52 CG HIS A 5 -30.462 -5.089 -33.123 1.00 0.00 C ATOM 53 ND1 HIS A 5 -30.356 -6.359 -32.601 1.00 0.00 N ATOM 54 CD2 HIS A 5 -31.274 -5.198 -34.202 1.00 0.00 C ATOM 55 CE1 HIS A 5 -31.064 -7.197 -33.333 1.00 0.00 C ATOM 56 NE2 HIS A 5 -31.629 -6.517 -34.308 1.00 0.00 N ATOM 0 H HIS A 5 -31.967 -4.371 -31.334 1.00 0.00 H new ATOM 0 HA HIS A 5 -29.993 -2.267 -31.220 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -29.153 -3.436 -33.318 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -29.042 -4.272 -31.782 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -31.583 -4.396 -34.856 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -31.163 -8.259 -33.162 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -32.235 -6.910 -35.028 1.00 0.00 H new ATOM 65 N HIS A 6 -31.600 -0.714 -32.454 1.00 0.00 N ATOM 66 CA HIS A 6 -32.260 0.288 -33.270 1.00 0.00 C ATOM 67 C HIS A 6 -31.700 1.651 -32.891 1.00 0.00 C ATOM 68 O HIS A 6 -32.435 2.587 -32.570 1.00 0.00 O ATOM 69 CB HIS A 6 -33.772 0.221 -33.021 1.00 0.00 C ATOM 70 CG HIS A 6 -34.609 0.934 -34.036 1.00 0.00 C ATOM 71 ND1 HIS A 6 -34.937 0.388 -35.255 1.00 0.00 N ATOM 72 CD2 HIS A 6 -35.216 2.141 -33.992 1.00 0.00 C ATOM 73 CE1 HIS A 6 -35.708 1.228 -35.916 1.00 0.00 C ATOM 74 NE2 HIS A 6 -35.897 2.302 -35.170 1.00 0.00 N ATOM 0 H HIS A 6 -31.448 -0.424 -31.488 1.00 0.00 H new ATOM 0 HA HIS A 6 -32.083 0.112 -34.331 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -34.075 -0.826 -32.992 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -33.983 0.641 -32.038 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -35.172 2.849 -33.177 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -36.117 1.066 -36.902 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.456 3.115 -35.428 1.00 0.00 H new ATOM 83 N HIS A 7 -30.378 1.742 -32.908 1.00 0.00 N ATOM 84 CA HIS A 7 -29.689 2.934 -32.436 1.00 0.00 C ATOM 85 C HIS A 7 -29.580 3.980 -33.536 1.00 0.00 C ATOM 86 O HIS A 7 -28.929 3.773 -34.561 1.00 0.00 O ATOM 87 CB HIS A 7 -28.298 2.595 -31.864 1.00 0.00 C ATOM 88 CG HIS A 7 -27.336 1.981 -32.842 1.00 0.00 C ATOM 89 ND1 HIS A 7 -26.264 2.665 -33.375 1.00 0.00 N ATOM 90 CD2 HIS A 7 -27.282 0.738 -33.371 1.00 0.00 C ATOM 91 CE1 HIS A 7 -25.596 1.869 -34.189 1.00 0.00 C ATOM 92 NE2 HIS A 7 -26.194 0.693 -34.205 1.00 0.00 N ATOM 0 H HIS A 7 -29.760 1.003 -33.244 1.00 0.00 H new ATOM 0 HA HIS A 7 -30.287 3.354 -31.628 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.854 3.508 -31.467 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -28.425 1.911 -31.025 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -27.969 -0.071 -33.173 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -24.710 2.135 -34.747 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -25.896 -0.117 -34.749 1.00 0.00 H new ATOM 101 N HIS A 8 -30.239 5.101 -33.312 1.00 0.00 N ATOM 102 CA HIS A 8 -30.166 6.228 -34.229 1.00 0.00 C ATOM 103 C HIS A 8 -29.549 7.427 -33.523 1.00 0.00 C ATOM 104 O HIS A 8 -29.240 8.442 -34.144 1.00 0.00 O ATOM 105 CB HIS A 8 -31.544 6.579 -34.810 1.00 0.00 C ATOM 106 CG HIS A 8 -32.618 6.816 -33.791 1.00 0.00 C ATOM 107 ND1 HIS A 8 -32.939 8.066 -33.308 1.00 0.00 N ATOM 108 CD2 HIS A 8 -33.459 5.949 -33.176 1.00 0.00 C ATOM 109 CE1 HIS A 8 -33.931 7.957 -32.443 1.00 0.00 C ATOM 110 NE2 HIS A 8 -34.265 6.686 -32.345 1.00 0.00 N ATOM 0 H HIS A 8 -30.835 5.258 -32.499 1.00 0.00 H new ATOM 0 HA HIS A 8 -29.531 5.945 -35.068 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -31.445 7.472 -35.427 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -31.861 5.771 -35.469 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -33.489 4.878 -33.314 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -34.391 8.773 -31.906 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -35.003 6.311 -31.749 1.00 0.00 H new ATOM 119 N HIS A 9 -29.377 7.296 -32.215 1.00 0.00 N ATOM 120 CA HIS A 9 -28.658 8.292 -31.435 1.00 0.00 C ATOM 121 C HIS A 9 -27.180 7.942 -31.402 1.00 0.00 C ATOM 122 O HIS A 9 -26.790 6.940 -30.801 1.00 0.00 O ATOM 123 CB HIS A 9 -29.188 8.363 -30.000 1.00 0.00 C ATOM 124 CG HIS A 9 -30.519 9.035 -29.862 1.00 0.00 C ATOM 125 ND1 HIS A 9 -30.700 10.390 -30.037 1.00 0.00 N ATOM 126 CD2 HIS A 9 -31.736 8.536 -29.544 1.00 0.00 C ATOM 127 CE1 HIS A 9 -31.967 10.694 -29.834 1.00 0.00 C ATOM 128 NE2 HIS A 9 -32.618 9.586 -29.534 1.00 0.00 N ATOM 0 H HIS A 9 -29.727 6.507 -31.671 1.00 0.00 H new ATOM 0 HA HIS A 9 -28.806 9.263 -31.908 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -29.264 7.350 -29.604 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -28.462 8.893 -29.384 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -31.969 7.502 -29.336 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -32.398 11.682 -29.902 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -33.615 9.521 -29.328 1.00 0.00 H new ATOM 137 N HIS A 10 -26.363 8.746 -32.062 1.00 0.00 N ATOM 138 CA HIS A 10 -24.925 8.513 -32.076 1.00 0.00 C ATOM 139 C HIS A 10 -24.304 9.028 -30.787 1.00 0.00 C ATOM 140 O HIS A 10 -23.974 8.250 -29.893 1.00 0.00 O ATOM 141 CB HIS A 10 -24.264 9.175 -33.291 1.00 0.00 C ATOM 142 CG HIS A 10 -24.584 8.508 -34.595 1.00 0.00 C ATOM 143 ND1 HIS A 10 -23.686 7.710 -35.271 1.00 0.00 N ATOM 144 CD2 HIS A 10 -25.707 8.530 -35.353 1.00 0.00 C ATOM 145 CE1 HIS A 10 -24.240 7.271 -36.384 1.00 0.00 C ATOM 146 NE2 HIS A 10 -25.467 7.751 -36.459 1.00 0.00 N ATOM 0 H HIS A 10 -26.667 9.562 -32.593 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.755 7.439 -32.151 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.579 10.217 -33.340 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -23.183 9.175 -33.149 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -26.621 9.061 -35.129 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -23.769 6.627 -37.112 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.129 7.573 -37.214 1.00 0.00 H new ATOM 155 N SER A 11 -24.170 10.336 -30.682 1.00 0.00 N ATOM 156 CA SER A 11 -23.623 10.940 -29.489 1.00 0.00 C ATOM 157 C SER A 11 -24.744 11.489 -28.613 1.00 0.00 C ATOM 158 O SER A 11 -25.175 12.635 -28.760 1.00 0.00 O ATOM 159 CB SER A 11 -22.617 12.031 -29.863 1.00 0.00 C ATOM 160 OG SER A 11 -23.150 12.913 -30.840 1.00 0.00 O ATOM 0 H SER A 11 -24.434 10.999 -31.411 1.00 0.00 H new ATOM 0 HA SER A 11 -23.094 10.180 -28.914 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.342 12.596 -28.972 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.705 11.572 -30.244 1.00 0.00 H new ATOM 0 HG SER A 11 -24.055 13.184 -30.578 1.00 0.00 H new ATOM 166 N SER A 12 -25.246 10.645 -27.729 1.00 0.00 N ATOM 167 CA SER A 12 -26.309 11.038 -26.824 1.00 0.00 C ATOM 168 C SER A 12 -26.056 10.470 -25.436 1.00 0.00 C ATOM 169 O SER A 12 -26.505 9.372 -25.104 1.00 0.00 O ATOM 170 CB SER A 12 -27.664 10.578 -27.367 1.00 0.00 C ATOM 171 OG SER A 12 -27.887 11.094 -28.669 1.00 0.00 O ATOM 0 H SER A 12 -24.933 9.681 -27.619 1.00 0.00 H new ATOM 0 HA SER A 12 -26.325 12.125 -26.748 1.00 0.00 H new ATOM 0 HB2 SER A 12 -27.700 9.489 -27.392 1.00 0.00 H new ATOM 0 HB3 SER A 12 -28.460 10.908 -26.699 1.00 0.00 H new ATOM 0 HG SER A 12 -28.820 11.382 -28.751 1.00 0.00 H new ATOM 177 N GLY A 13 -25.290 11.207 -24.647 1.00 0.00 N ATOM 178 CA GLY A 13 -25.002 10.794 -23.296 1.00 0.00 C ATOM 179 C GLY A 13 -25.442 11.834 -22.296 1.00 0.00 C ATOM 180 O GLY A 13 -24.634 12.642 -21.831 1.00 0.00 O ATOM 0 H GLY A 13 -24.861 12.090 -24.924 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -25.506 9.850 -23.087 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -23.932 10.614 -23.189 1.00 0.00 H new ATOM 184 N ARG A 14 -26.724 11.831 -21.975 1.00 0.00 N ATOM 185 CA ARG A 14 -27.258 12.781 -21.018 1.00 0.00 C ATOM 186 C ARG A 14 -27.025 12.288 -19.595 1.00 0.00 C ATOM 187 O ARG A 14 -27.899 11.675 -18.981 1.00 0.00 O ATOM 188 CB ARG A 14 -28.747 13.029 -21.271 1.00 0.00 C ATOM 189 CG ARG A 14 -29.021 13.817 -22.543 1.00 0.00 C ATOM 190 CD ARG A 14 -30.511 14.017 -22.777 1.00 0.00 C ATOM 191 NE ARG A 14 -31.180 12.778 -23.173 1.00 0.00 N ATOM 192 CZ ARG A 14 -32.484 12.553 -23.014 1.00 0.00 C ATOM 193 NH1 ARG A 14 -33.245 13.446 -22.387 1.00 0.00 N ATOM 194 NH2 ARG A 14 -33.021 11.427 -23.470 1.00 0.00 N ATOM 0 H ARG A 14 -27.411 11.184 -22.362 1.00 0.00 H new ATOM 0 HA ARG A 14 -26.734 13.728 -21.144 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -29.263 12.070 -21.328 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -29.168 13.567 -20.421 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -28.530 14.788 -22.481 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -28.587 13.294 -23.395 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -30.971 14.401 -21.867 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -30.657 14.770 -23.551 1.00 0.00 H new ATOM 0 HE ARG A 14 -30.615 12.042 -23.596 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -32.831 14.306 -22.027 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -34.243 13.271 -22.267 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -32.436 10.737 -23.941 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -34.019 11.252 -23.350 1.00 0.00 H new ATOM 208 N GLU A 15 -25.824 12.531 -19.092 1.00 0.00 N ATOM 209 CA GLU A 15 -25.452 12.104 -17.755 1.00 0.00 C ATOM 210 C GLU A 15 -25.663 13.245 -16.767 1.00 0.00 C ATOM 211 O GLU A 15 -25.142 14.346 -16.952 1.00 0.00 O ATOM 212 CB GLU A 15 -23.995 11.614 -17.731 1.00 0.00 C ATOM 213 CG GLU A 15 -22.993 12.619 -18.278 1.00 0.00 C ATOM 214 CD GLU A 15 -21.574 12.084 -18.292 1.00 0.00 C ATOM 215 OE1 GLU A 15 -20.871 12.209 -17.265 1.00 0.00 O ATOM 216 OE2 GLU A 15 -21.148 11.541 -19.336 1.00 0.00 O ATOM 0 H GLU A 15 -25.087 13.025 -19.595 1.00 0.00 H new ATOM 0 HA GLU A 15 -26.089 11.270 -17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -23.723 11.367 -16.705 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -23.923 10.693 -18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.281 12.898 -19.291 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.029 13.526 -17.675 1.00 0.00 H new ATOM 224 N ASN A 16 -26.456 12.984 -15.741 1.00 0.00 N ATOM 225 CA ASN A 16 -26.752 13.987 -14.728 1.00 0.00 C ATOM 226 C ASN A 16 -26.733 13.351 -13.346 1.00 0.00 C ATOM 227 O ASN A 16 -27.650 12.617 -12.974 1.00 0.00 O ATOM 228 CB ASN A 16 -28.114 14.635 -15.000 1.00 0.00 C ATOM 229 CG ASN A 16 -28.459 15.722 -13.996 1.00 0.00 C ATOM 230 OD1 ASN A 16 -29.117 15.471 -12.982 1.00 0.00 O ATOM 231 ND2 ASN A 16 -28.017 16.941 -14.270 1.00 0.00 N ATOM 0 H ASN A 16 -26.908 12.083 -15.586 1.00 0.00 H new ATOM 0 HA ASN A 16 -25.988 14.764 -14.768 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.115 15.060 -16.004 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.888 13.867 -14.978 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -28.218 17.712 -13.632 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -27.476 17.109 -15.118 1.00 0.00 H new ATOM 238 N LEU A 17 -25.667 13.616 -12.607 1.00 0.00 N ATOM 239 CA LEU A 17 -25.485 13.040 -11.282 1.00 0.00 C ATOM 240 C LEU A 17 -26.188 13.879 -10.221 1.00 0.00 C ATOM 241 O LEU A 17 -26.533 15.039 -10.460 1.00 0.00 O ATOM 242 CB LEU A 17 -23.984 12.895 -10.970 1.00 0.00 C ATOM 243 CG LEU A 17 -23.119 14.146 -11.199 1.00 0.00 C ATOM 244 CD1 LEU A 17 -23.252 15.128 -10.044 1.00 0.00 C ATOM 245 CD2 LEU A 17 -21.663 13.750 -11.400 1.00 0.00 C ATOM 0 H LEU A 17 -24.909 14.231 -12.904 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.937 12.048 -11.269 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.878 12.591 -9.928 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.584 12.085 -11.580 1.00 0.00 H new ATOM 0 HG LEU A 17 -23.476 14.644 -12.101 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.629 16.002 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -24.292 15.438 -9.948 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.930 14.648 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -21.062 14.645 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -21.303 13.225 -10.515 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -21.580 13.096 -12.268 1.00 0.00 H new ATOM 257 N TYR A 18 -26.396 13.291 -9.056 1.00 0.00 N ATOM 258 CA TYR A 18 -27.060 13.982 -7.962 1.00 0.00 C ATOM 259 C TYR A 18 -26.071 14.798 -7.143 1.00 0.00 C ATOM 260 O TYR A 18 -24.904 14.430 -7.004 1.00 0.00 O ATOM 261 CB TYR A 18 -27.794 12.992 -7.059 1.00 0.00 C ATOM 262 CG TYR A 18 -29.129 12.554 -7.607 1.00 0.00 C ATOM 263 CD1 TYR A 18 -30.265 13.317 -7.375 1.00 0.00 C ATOM 264 CD2 TYR A 18 -29.256 11.389 -8.353 1.00 0.00 C ATOM 265 CE1 TYR A 18 -31.492 12.932 -7.869 1.00 0.00 C ATOM 266 CE2 TYR A 18 -30.483 10.997 -8.852 1.00 0.00 C ATOM 267 CZ TYR A 18 -31.597 11.774 -8.608 1.00 0.00 C ATOM 268 OH TYR A 18 -32.823 11.396 -9.106 1.00 0.00 O ATOM 0 H TYR A 18 -26.114 12.334 -8.842 1.00 0.00 H new ATOM 0 HA TYR A 18 -27.788 14.664 -8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -27.166 12.114 -6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -27.944 13.447 -6.080 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -30.186 14.227 -6.798 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -28.384 10.782 -8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -32.367 13.535 -7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -30.570 10.088 -9.429 1.00 0.00 H new ATOM 0 HH TYR A 18 -32.729 10.558 -9.606 1.00 0.00 H new ATOM 278 N PHE A 19 -26.554 15.907 -6.608 1.00 0.00 N ATOM 279 CA PHE A 19 -25.740 16.803 -5.805 1.00 0.00 C ATOM 280 C PHE A 19 -26.174 16.717 -4.348 1.00 0.00 C ATOM 281 O PHE A 19 -27.357 16.872 -4.038 1.00 0.00 O ATOM 282 CB PHE A 19 -25.886 18.240 -6.324 1.00 0.00 C ATOM 283 CG PHE A 19 -25.018 19.246 -5.620 1.00 0.00 C ATOM 284 CD1 PHE A 19 -25.465 19.894 -4.479 1.00 0.00 C ATOM 285 CD2 PHE A 19 -23.758 19.551 -6.105 1.00 0.00 C ATOM 286 CE1 PHE A 19 -24.672 20.823 -3.836 1.00 0.00 C ATOM 287 CE2 PHE A 19 -22.960 20.479 -5.466 1.00 0.00 C ATOM 288 CZ PHE A 19 -23.418 21.115 -4.331 1.00 0.00 C ATOM 0 H PHE A 19 -27.521 16.211 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 19 -24.693 16.510 -5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -25.649 18.255 -7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -26.928 18.545 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -26.446 19.669 -4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -23.395 19.057 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -25.032 21.320 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.978 20.707 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 19 -22.795 21.841 -3.830 1.00 0.00 H new ATOM 298 N GLN A 20 -25.230 16.461 -3.459 1.00 0.00 N ATOM 299 CA GLN A 20 -25.542 16.344 -2.043 1.00 0.00 C ATOM 300 C GLN A 20 -24.743 17.344 -1.218 1.00 0.00 C ATOM 301 O GLN A 20 -23.538 17.195 -1.043 1.00 0.00 O ATOM 302 CB GLN A 20 -25.290 14.920 -1.538 1.00 0.00 C ATOM 303 CG GLN A 20 -26.306 13.909 -2.042 1.00 0.00 C ATOM 304 CD GLN A 20 -26.139 12.542 -1.406 1.00 0.00 C ATOM 305 OE1 GLN A 20 -25.035 12.121 -1.069 1.00 0.00 O ATOM 306 NE2 GLN A 20 -27.243 11.833 -1.247 1.00 0.00 N ATOM 0 H GLN A 20 -24.245 16.330 -3.690 1.00 0.00 H new ATOM 0 HA GLN A 20 -26.602 16.570 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -24.293 14.605 -1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -25.302 14.922 -0.448 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -27.311 14.279 -1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -26.213 13.815 -3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -28.142 12.216 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -27.196 10.902 -0.832 1.00 0.00 H new ATOM 315 N GLY A 21 -25.427 18.368 -0.722 1.00 0.00 N ATOM 316 CA GLY A 21 -24.791 19.334 0.155 1.00 0.00 C ATOM 317 C GLY A 21 -24.969 18.953 1.612 1.00 0.00 C ATOM 318 O GLY A 21 -24.732 19.756 2.516 1.00 0.00 O ATOM 0 H GLY A 21 -26.413 18.547 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -23.728 19.398 -0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -25.216 20.322 -0.020 1.00 0.00 H new ATOM 322 N HIS A 22 -25.408 17.722 1.833 1.00 0.00 N ATOM 323 CA HIS A 22 -25.625 17.199 3.172 1.00 0.00 C ATOM 324 C HIS A 22 -24.403 16.407 3.621 1.00 0.00 C ATOM 325 O HIS A 22 -24.279 15.217 3.326 1.00 0.00 O ATOM 326 CB HIS A 22 -26.887 16.323 3.194 1.00 0.00 C ATOM 327 CG HIS A 22 -27.195 15.705 4.527 1.00 0.00 C ATOM 328 ND1 HIS A 22 -27.537 16.439 5.637 1.00 0.00 N ATOM 329 CD2 HIS A 22 -27.218 14.408 4.916 1.00 0.00 C ATOM 330 CE1 HIS A 22 -27.755 15.624 6.652 1.00 0.00 C ATOM 331 NE2 HIS A 22 -27.567 14.385 6.243 1.00 0.00 N ATOM 0 H HIS A 22 -25.623 17.059 1.089 1.00 0.00 H new ATOM 0 HA HIS A 22 -25.772 18.027 3.866 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -27.739 16.928 2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -26.775 15.528 2.457 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -27.002 13.550 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -28.040 15.922 7.650 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -27.665 13.548 6.818 1.00 0.00 H new ATOM 340 N MET A 23 -23.493 17.079 4.308 1.00 0.00 N ATOM 341 CA MET A 23 -22.260 16.453 4.758 1.00 0.00 C ATOM 342 C MET A 23 -22.404 15.957 6.189 1.00 0.00 C ATOM 343 O MET A 23 -23.235 16.454 6.949 1.00 0.00 O ATOM 344 CB MET A 23 -21.077 17.431 4.655 1.00 0.00 C ATOM 345 CG MET A 23 -21.122 18.590 5.642 1.00 0.00 C ATOM 346 SD MET A 23 -22.492 19.723 5.337 1.00 0.00 S ATOM 347 CE MET A 23 -22.226 20.918 6.645 1.00 0.00 C ATOM 0 H MET A 23 -23.586 18.061 4.567 1.00 0.00 H new ATOM 0 HA MET A 23 -22.060 15.601 4.108 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.151 16.877 4.808 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.044 17.834 3.643 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.203 18.195 6.655 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.183 19.141 5.589 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.994 21.690 6.594 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.278 20.417 7.612 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.244 21.375 6.526 1.00 0.00 H new ATOM 357 N ALA A 24 -21.599 14.970 6.548 1.00 0.00 N ATOM 358 CA ALA A 24 -21.612 14.425 7.895 1.00 0.00 C ATOM 359 C ALA A 24 -20.192 14.140 8.371 1.00 0.00 C ATOM 360 O ALA A 24 -19.556 13.188 7.922 1.00 0.00 O ATOM 361 CB ALA A 24 -22.457 13.162 7.950 1.00 0.00 C ATOM 0 H ALA A 24 -20.926 14.529 5.922 1.00 0.00 H new ATOM 0 HA ALA A 24 -22.055 15.165 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -22.456 12.767 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -23.479 13.395 7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -22.042 12.417 7.271 1.00 0.00 H new ATOM 367 N ALA A 25 -19.693 14.980 9.261 1.00 0.00 N ATOM 368 CA ALA A 25 -18.349 14.820 9.786 1.00 0.00 C ATOM 369 C ALA A 25 -18.386 14.081 11.114 1.00 0.00 C ATOM 370 O ALA A 25 -18.549 14.691 12.169 1.00 0.00 O ATOM 371 CB ALA A 25 -17.673 16.173 9.945 1.00 0.00 C ATOM 0 H ALA A 25 -20.200 15.782 9.636 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.768 14.230 9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.667 16.033 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -17.617 16.668 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.250 16.789 10.634 1.00 0.00 H new ATOM 377 N ARG A 26 -18.278 12.763 11.050 1.00 0.00 N ATOM 378 CA ARG A 26 -18.293 11.941 12.245 1.00 0.00 C ATOM 379 C ARG A 26 -17.351 10.755 12.082 1.00 0.00 C ATOM 380 O ARG A 26 -17.523 9.931 11.182 1.00 0.00 O ATOM 381 CB ARG A 26 -19.716 11.456 12.544 1.00 0.00 C ATOM 382 CG ARG A 26 -19.810 10.550 13.764 1.00 0.00 C ATOM 383 CD ARG A 26 -21.248 10.144 14.059 1.00 0.00 C ATOM 384 NE ARG A 26 -22.061 11.277 14.491 1.00 0.00 N ATOM 385 CZ ARG A 26 -23.390 11.310 14.442 1.00 0.00 C ATOM 386 NH1 ARG A 26 -24.071 10.294 13.922 1.00 0.00 N ATOM 387 NH2 ARG A 26 -24.037 12.375 14.895 1.00 0.00 N ATOM 0 H ARG A 26 -18.179 12.241 10.180 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.951 12.545 13.086 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -20.361 12.322 12.695 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.098 10.921 11.675 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -19.207 9.657 13.601 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -19.392 11.063 14.630 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.690 9.701 13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -21.256 9.377 14.833 1.00 0.00 H new ATOM 0 HE ARG A 26 -21.578 12.098 14.855 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.575 9.481 13.557 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.090 10.327 13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -23.516 13.163 15.279 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -25.056 12.406 14.860 1.00 0.00 H new ATOM 401 N ILE A 27 -16.354 10.690 12.946 1.00 0.00 N ATOM 402 CA ILE A 27 -15.380 9.614 12.925 1.00 0.00 C ATOM 403 C ILE A 27 -15.650 8.658 14.080 1.00 0.00 C ATOM 404 O ILE A 27 -15.284 8.934 15.227 1.00 0.00 O ATOM 405 CB ILE A 27 -13.938 10.158 13.039 1.00 0.00 C ATOM 406 CG1 ILE A 27 -13.685 11.232 11.976 1.00 0.00 C ATOM 407 CG2 ILE A 27 -12.929 9.025 12.907 1.00 0.00 C ATOM 408 CD1 ILE A 27 -12.334 11.905 12.094 1.00 0.00 C ATOM 0 H ILE A 27 -16.197 11.380 13.680 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.475 9.090 11.974 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.817 10.613 14.022 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.769 10.779 10.988 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.465 11.990 12.046 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.919 9.426 12.990 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.096 8.295 13.699 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.049 8.542 11.937 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.230 12.652 11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.252 12.389 13.067 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.546 11.159 11.993 1.00 0.00 H new ATOM 420 N THR A 28 -16.318 7.558 13.787 1.00 0.00 N ATOM 421 CA THR A 28 -16.662 6.586 14.810 1.00 0.00 C ATOM 422 C THR A 28 -15.814 5.328 14.654 1.00 0.00 C ATOM 423 O THR A 28 -15.176 4.869 15.603 1.00 0.00 O ATOM 424 CB THR A 28 -18.159 6.224 14.737 1.00 0.00 C ATOM 425 OG1 THR A 28 -18.940 7.424 14.651 1.00 0.00 O ATOM 426 CG2 THR A 28 -18.590 5.435 15.961 1.00 0.00 C ATOM 0 H THR A 28 -16.634 7.314 12.848 1.00 0.00 H new ATOM 0 HA THR A 28 -16.459 7.031 15.784 1.00 0.00 H new ATOM 0 HB THR A 28 -18.318 5.608 13.852 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.891 7.193 14.603 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.650 5.193 15.883 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.011 4.514 16.022 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.419 6.031 16.857 1.00 0.00 H new ATOM 434 N GLY A 29 -15.799 4.791 13.443 1.00 0.00 N ATOM 435 CA GLY A 29 -15.012 3.612 13.156 1.00 0.00 C ATOM 436 C GLY A 29 -14.760 3.467 11.676 1.00 0.00 C ATOM 437 O GLY A 29 -14.790 2.363 11.134 1.00 0.00 O ATOM 0 H GLY A 29 -16.324 5.156 12.648 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.061 3.670 13.685 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.530 2.728 13.527 1.00 0.00 H new ATOM 441 N GLU A 30 -14.522 4.592 11.021 1.00 0.00 N ATOM 442 CA GLU A 30 -14.321 4.610 9.583 1.00 0.00 C ATOM 443 C GLU A 30 -13.003 5.296 9.236 1.00 0.00 C ATOM 444 O GLU A 30 -12.972 6.504 8.996 1.00 0.00 O ATOM 445 CB GLU A 30 -15.477 5.336 8.889 1.00 0.00 C ATOM 446 CG GLU A 30 -16.856 4.867 9.328 1.00 0.00 C ATOM 447 CD GLU A 30 -17.548 5.858 10.246 1.00 0.00 C ATOM 448 OE1 GLU A 30 -17.117 6.018 11.411 1.00 0.00 O ATOM 449 OE2 GLU A 30 -18.542 6.472 9.809 1.00 0.00 O ATOM 0 H GLU A 30 -14.463 5.508 11.466 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.288 3.578 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.390 6.405 9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.384 5.199 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.476 4.700 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.764 3.909 9.839 1.00 0.00 H new ATOM 457 N PRO A 31 -11.895 4.546 9.238 1.00 0.00 N ATOM 458 CA PRO A 31 -10.574 5.094 8.935 1.00 0.00 C ATOM 459 C PRO A 31 -10.407 5.393 7.452 1.00 0.00 C ATOM 460 O PRO A 31 -11.059 4.777 6.605 1.00 0.00 O ATOM 461 CB PRO A 31 -9.623 3.980 9.373 1.00 0.00 C ATOM 462 CG PRO A 31 -10.419 2.731 9.213 1.00 0.00 C ATOM 463 CD PRO A 31 -11.841 3.104 9.534 1.00 0.00 C ATOM 0 HA PRO A 31 -10.394 6.044 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.724 3.960 8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.300 4.116 10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.337 2.343 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.059 1.950 9.883 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.550 2.543 8.925 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.084 2.899 10.577 1.00 0.00 H new ATOM 471 N SER A 32 -9.552 6.356 7.147 1.00 0.00 N ATOM 472 CA SER A 32 -9.256 6.707 5.769 1.00 0.00 C ATOM 473 C SER A 32 -8.585 5.539 5.050 1.00 0.00 C ATOM 474 O SER A 32 -7.708 4.872 5.609 1.00 0.00 O ATOM 475 CB SER A 32 -8.355 7.940 5.725 1.00 0.00 C ATOM 476 OG SER A 32 -8.957 9.039 6.393 1.00 0.00 O ATOM 0 H SER A 32 -9.049 6.910 7.840 1.00 0.00 H new ATOM 0 HA SER A 32 -10.193 6.933 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.396 7.710 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.151 8.208 4.688 1.00 0.00 H new ATOM 0 HG SER A 32 -8.359 9.814 6.352 1.00 0.00 H new ATOM 482 N LYS A 33 -9.012 5.286 3.820 1.00 0.00 N ATOM 483 CA LYS A 33 -8.459 4.194 3.034 1.00 0.00 C ATOM 484 C LYS A 33 -7.060 4.538 2.525 1.00 0.00 C ATOM 485 O LYS A 33 -6.885 5.165 1.478 1.00 0.00 O ATOM 486 CB LYS A 33 -9.407 3.811 1.889 1.00 0.00 C ATOM 487 CG LYS A 33 -9.911 4.985 1.063 1.00 0.00 C ATOM 488 CD LYS A 33 -11.071 4.566 0.174 1.00 0.00 C ATOM 489 CE LYS A 33 -11.588 5.722 -0.666 1.00 0.00 C ATOM 490 NZ LYS A 33 -12.841 5.356 -1.377 1.00 0.00 N ATOM 0 H LYS A 33 -9.739 5.822 3.346 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.360 3.322 3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.893 3.113 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.264 3.283 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.228 5.791 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.100 5.377 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.752 3.756 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.880 4.176 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.769 6.586 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.829 6.016 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.169 6.165 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.660 4.547 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.572 5.099 -0.683 1.00 0.00 H new ATOM 504 N LYS A 34 -6.072 4.134 3.307 1.00 0.00 N ATOM 505 CA LYS A 34 -4.674 4.384 3.013 1.00 0.00 C ATOM 506 C LYS A 34 -3.849 3.285 3.678 1.00 0.00 C ATOM 507 O LYS A 34 -4.411 2.474 4.420 1.00 0.00 O ATOM 508 CB LYS A 34 -4.266 5.771 3.542 1.00 0.00 C ATOM 509 CG LYS A 34 -2.899 6.246 3.066 1.00 0.00 C ATOM 510 CD LYS A 34 -2.500 7.567 3.711 1.00 0.00 C ATOM 511 CE LYS A 34 -3.406 8.711 3.275 1.00 0.00 C ATOM 512 NZ LYS A 34 -3.030 9.995 3.923 1.00 0.00 N ATOM 0 H LYS A 34 -6.222 3.617 4.174 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.500 4.374 1.937 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.017 6.499 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.270 5.747 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.151 5.488 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.912 6.361 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.539 7.467 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.468 7.801 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.354 8.822 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.440 8.469 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.671 10.748 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.104 9.897 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.052 10.239 3.667 1.00 0.00 H new ATOM 526 N ALA A 35 -2.543 3.256 3.406 1.00 0.00 N ATOM 527 CA ALA A 35 -1.627 2.273 3.990 1.00 0.00 C ATOM 528 C ALA A 35 -1.859 0.878 3.416 1.00 0.00 C ATOM 529 O ALA A 35 -2.832 0.201 3.758 1.00 0.00 O ATOM 530 CB ALA A 35 -1.729 2.255 5.513 1.00 0.00 C ATOM 0 H ALA A 35 -2.089 3.915 2.773 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.615 2.578 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.037 1.515 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.477 3.240 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.747 1.997 5.806 1.00 0.00 H new ATOM 536 N VAL A 36 -0.958 0.457 2.540 1.00 0.00 N ATOM 537 CA VAL A 36 -1.040 -0.862 1.934 1.00 0.00 C ATOM 538 C VAL A 36 -0.806 -1.932 2.989 1.00 0.00 C ATOM 539 O VAL A 36 0.223 -1.950 3.662 1.00 0.00 O ATOM 540 CB VAL A 36 -0.012 -1.039 0.798 1.00 0.00 C ATOM 541 CG1 VAL A 36 -0.195 -2.387 0.109 1.00 0.00 C ATOM 542 CG2 VAL A 36 -0.113 0.095 -0.208 1.00 0.00 C ATOM 0 H VAL A 36 -0.160 1.013 2.233 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.038 -0.963 1.508 1.00 0.00 H new ATOM 0 HB VAL A 36 0.984 -1.012 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.540 -2.491 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.058 -3.188 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.198 -2.447 -0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.622 -0.054 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.113 0.109 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.079 1.044 0.293 1.00 0.00 H new ATOM 552 N SER A 37 -1.775 -2.805 3.136 1.00 0.00 N ATOM 553 CA SER A 37 -1.718 -3.855 4.139 1.00 0.00 C ATOM 554 C SER A 37 -1.581 -5.231 3.481 1.00 0.00 C ATOM 555 O SER A 37 -1.591 -5.344 2.254 1.00 0.00 O ATOM 556 CB SER A 37 -2.966 -3.788 5.016 1.00 0.00 C ATOM 557 OG SER A 37 -3.084 -2.511 5.626 1.00 0.00 O ATOM 0 H SER A 37 -2.623 -2.812 2.569 1.00 0.00 H new ATOM 0 HA SER A 37 -0.838 -3.704 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.851 -3.992 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.919 -4.560 5.784 1.00 0.00 H new ATOM 0 HG SER A 37 -3.890 -2.487 6.182 1.00 0.00 H new ATOM 563 N ASP A 38 -1.481 -6.273 4.304 1.00 0.00 N ATOM 564 CA ASP A 38 -1.236 -7.638 3.821 1.00 0.00 C ATOM 565 C ASP A 38 -2.492 -8.273 3.222 1.00 0.00 C ATOM 566 O ASP A 38 -2.539 -9.480 2.993 1.00 0.00 O ATOM 567 CB ASP A 38 -0.700 -8.523 4.956 1.00 0.00 C ATOM 568 CG ASP A 38 -1.743 -8.841 6.012 1.00 0.00 C ATOM 569 OD1 ASP A 38 -2.066 -10.034 6.190 1.00 0.00 O ATOM 570 OD2 ASP A 38 -2.235 -7.902 6.679 1.00 0.00 O ATOM 0 H ASP A 38 -1.566 -6.200 5.318 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.489 -7.566 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.324 -9.455 4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.145 -8.023 5.429 1.00 0.00 H new ATOM 576 N ARG A 39 -3.488 -7.447 2.931 1.00 0.00 N ATOM 577 CA ARG A 39 -4.747 -7.914 2.353 1.00 0.00 C ATOM 578 C ARG A 39 -4.547 -8.397 0.920 1.00 0.00 C ATOM 579 O ARG A 39 -5.416 -9.055 0.353 1.00 0.00 O ATOM 580 CB ARG A 39 -5.789 -6.790 2.373 1.00 0.00 C ATOM 581 CG ARG A 39 -6.164 -6.307 3.766 1.00 0.00 C ATOM 582 CD ARG A 39 -7.088 -7.279 4.488 1.00 0.00 C ATOM 583 NE ARG A 39 -6.459 -8.573 4.742 1.00 0.00 N ATOM 584 CZ ARG A 39 -5.999 -8.955 5.931 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.092 -8.142 6.977 1.00 0.00 N ATOM 586 NH2 ARG A 39 -5.455 -10.154 6.073 1.00 0.00 N ATOM 0 H ARG A 39 -3.450 -6.440 3.087 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.102 -8.750 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.406 -5.946 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.690 -7.137 1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.258 -6.166 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.651 -5.334 3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.402 -6.840 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.988 -7.428 3.892 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.367 -9.223 3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.517 -7.221 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.738 -8.439 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.389 -10.782 5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.102 -10.449 6.983 1.00 0.00 H new ATOM 600 N LEU A 40 -3.404 -8.055 0.335 1.00 0.00 N ATOM 601 CA LEU A 40 -3.106 -8.422 -1.039 1.00 0.00 C ATOM 602 C LEU A 40 -2.236 -9.677 -1.097 1.00 0.00 C ATOM 603 O LEU A 40 -1.989 -10.226 -2.171 1.00 0.00 O ATOM 604 CB LEU A 40 -2.384 -7.267 -1.736 1.00 0.00 C ATOM 605 CG LEU A 40 -3.093 -5.907 -1.671 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.284 -4.851 -2.408 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.498 -6.001 -2.252 1.00 0.00 C ATOM 0 H LEU A 40 -2.667 -7.521 0.796 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.047 -8.632 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.393 -7.162 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.239 -7.532 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.175 -5.615 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.800 -3.893 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.300 -4.760 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.171 -5.142 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.981 -5.026 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.441 -6.318 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.079 -6.727 -1.684 1.00 0.00 H new ATOM 619 N ILE A 41 -1.779 -10.131 0.062 1.00 0.00 N ATOM 620 CA ILE A 41 -0.838 -11.242 0.131 1.00 0.00 C ATOM 621 C ILE A 41 -1.562 -12.582 0.063 1.00 0.00 C ATOM 622 O ILE A 41 -2.477 -12.848 0.843 1.00 0.00 O ATOM 623 CB ILE A 41 0.006 -11.181 1.426 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.793 -9.866 1.494 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.950 -12.371 1.518 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.748 -9.662 0.337 1.00 0.00 C ATOM 0 H ILE A 41 -2.045 -9.747 0.969 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.174 -11.153 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.676 -11.223 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.089 -9.034 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.357 -9.839 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.532 -12.304 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.372 -13.295 1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.624 -12.368 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.267 -8.711 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.476 -10.473 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.189 -9.655 -0.599 1.00 0.00 H new ATOM 638 N GLY A 42 -1.150 -13.415 -0.880 1.00 0.00 N ATOM 639 CA GLY A 42 -1.706 -14.745 -0.997 1.00 0.00 C ATOM 640 C GLY A 42 -2.981 -14.778 -1.809 1.00 0.00 C ATOM 641 O GLY A 42 -3.692 -15.783 -1.813 1.00 0.00 O ATOM 0 H GLY A 42 -0.434 -13.190 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.969 -15.402 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.905 -15.140 -0.001 1.00 0.00 H new ATOM 645 N ARG A 43 -3.283 -13.683 -2.497 1.00 0.00 N ATOM 646 CA ARG A 43 -4.490 -13.615 -3.306 1.00 0.00 C ATOM 647 C ARG A 43 -4.175 -13.809 -4.782 1.00 0.00 C ATOM 648 O ARG A 43 -3.019 -13.707 -5.203 1.00 0.00 O ATOM 649 CB ARG A 43 -5.222 -12.288 -3.104 1.00 0.00 C ATOM 650 CG ARG A 43 -5.815 -12.130 -1.718 1.00 0.00 C ATOM 651 CD ARG A 43 -6.882 -11.048 -1.690 1.00 0.00 C ATOM 652 NE ARG A 43 -7.448 -10.882 -0.352 1.00 0.00 N ATOM 653 CZ ARG A 43 -8.501 -11.562 0.106 1.00 0.00 C ATOM 654 NH1 ARG A 43 -9.088 -12.481 -0.652 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.960 -11.326 1.326 1.00 0.00 N ATOM 0 H ARG A 43 -2.713 -12.837 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.141 -14.425 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.529 -11.468 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.019 -12.205 -3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.247 -13.077 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.025 -11.882 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.452 -10.104 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.676 -11.302 -2.392 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.010 -10.203 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.734 -12.670 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.892 -12.997 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.509 -10.625 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.765 -11.845 1.677 1.00 0.00 H new ATOM 669 N LYS A 44 -5.214 -14.083 -5.554 1.00 0.00 N ATOM 670 CA LYS A 44 -5.083 -14.329 -6.971 1.00 0.00 C ATOM 671 C LYS A 44 -5.141 -13.016 -7.741 1.00 0.00 C ATOM 672 O LYS A 44 -5.870 -12.093 -7.370 1.00 0.00 O ATOM 673 CB LYS A 44 -6.206 -15.273 -7.421 1.00 0.00 C ATOM 674 CG LYS A 44 -6.109 -15.746 -8.865 1.00 0.00 C ATOM 675 CD LYS A 44 -6.734 -14.762 -9.848 1.00 0.00 C ATOM 676 CE LYS A 44 -8.251 -14.744 -9.747 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.845 -16.037 -10.175 1.00 0.00 N ATOM 0 H LYS A 44 -6.172 -14.140 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.120 -14.796 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.210 -16.146 -6.768 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.162 -14.768 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.061 -15.897 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.603 -16.713 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.346 -13.762 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.441 -15.028 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.545 -14.531 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.648 -13.939 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.759 -15.862 -10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.203 -16.510 -10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.989 -16.645 -9.344 1.00 0.00 H new ATOM 691 N GLY A 45 -4.374 -12.951 -8.812 1.00 0.00 N ATOM 692 CA GLY A 45 -4.395 -11.812 -9.691 1.00 0.00 C ATOM 693 C GLY A 45 -4.319 -12.254 -11.133 1.00 0.00 C ATOM 694 O GLY A 45 -4.063 -13.426 -11.414 1.00 0.00 O ATOM 0 H GLY A 45 -3.724 -13.686 -9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.307 -11.237 -9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.557 -11.153 -9.462 1.00 0.00 H new ATOM 698 N VAL A 46 -4.535 -11.331 -12.038 1.00 0.00 N ATOM 699 CA VAL A 46 -4.483 -11.622 -13.460 1.00 0.00 C ATOM 700 C VAL A 46 -3.486 -10.690 -14.142 1.00 0.00 C ATOM 701 O VAL A 46 -3.354 -9.520 -13.763 1.00 0.00 O ATOM 702 CB VAL A 46 -5.885 -11.488 -14.109 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.441 -10.087 -13.933 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.852 -11.878 -15.576 1.00 0.00 C ATOM 0 H VAL A 46 -4.751 -10.359 -11.817 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.154 -12.653 -13.590 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.552 -12.179 -13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.425 -10.025 -14.399 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.528 -9.861 -12.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.771 -9.368 -14.404 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.850 -11.774 -16.003 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.159 -11.228 -16.110 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.524 -12.913 -15.670 1.00 0.00 H new ATOM 714 N VAL A 47 -2.779 -11.210 -15.133 1.00 0.00 N ATOM 715 CA VAL A 47 -1.755 -10.445 -15.824 1.00 0.00 C ATOM 716 C VAL A 47 -2.372 -9.538 -16.887 1.00 0.00 C ATOM 717 O VAL A 47 -3.017 -10.009 -17.824 1.00 0.00 O ATOM 718 CB VAL A 47 -0.710 -11.368 -16.482 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.415 -10.556 -17.103 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.157 -12.364 -15.474 1.00 0.00 C ATOM 0 H VAL A 47 -2.897 -12.163 -15.477 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.256 -9.830 -15.075 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.207 -11.926 -17.276 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.140 -11.229 -17.561 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.007 -9.891 -17.864 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.907 -9.965 -16.330 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.578 -13.004 -15.961 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.317 -11.826 -14.653 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.970 -12.976 -15.084 1.00 0.00 H new ATOM 730 N MET A 48 -2.187 -8.233 -16.715 1.00 0.00 N ATOM 731 CA MET A 48 -2.684 -7.247 -17.662 1.00 0.00 C ATOM 732 C MET A 48 -1.561 -6.718 -18.542 1.00 0.00 C ATOM 733 O MET A 48 -1.806 -6.217 -19.639 1.00 0.00 O ATOM 734 CB MET A 48 -3.333 -6.092 -16.906 1.00 0.00 C ATOM 735 CG MET A 48 -4.584 -6.495 -16.159 1.00 0.00 C ATOM 736 SD MET A 48 -5.932 -6.940 -17.267 1.00 0.00 S ATOM 737 CE MET A 48 -7.250 -7.247 -16.090 1.00 0.00 C ATOM 0 H MET A 48 -1.691 -7.833 -15.919 1.00 0.00 H new ATOM 0 HA MET A 48 -3.422 -7.729 -18.303 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.613 -5.679 -16.199 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.579 -5.298 -17.611 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.359 -7.340 -15.508 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.901 -5.673 -15.517 1.00 0.00 H new ATOM 0 HE1 MET A 48 -7.826 -8.116 -16.408 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.822 -7.435 -15.105 1.00 0.00 H new ATOM 0 HE3 MET A 48 -7.904 -6.376 -16.041 1.00 0.00 H new ATOM 747 N GLU A 49 -0.333 -6.822 -18.057 1.00 0.00 N ATOM 748 CA GLU A 49 0.827 -6.374 -18.812 1.00 0.00 C ATOM 749 C GLU A 49 1.946 -7.401 -18.696 1.00 0.00 C ATOM 750 O GLU A 49 2.107 -8.022 -17.646 1.00 0.00 O ATOM 751 CB GLU A 49 1.301 -5.003 -18.309 1.00 0.00 C ATOM 752 CG GLU A 49 2.438 -4.405 -19.119 1.00 0.00 C ATOM 753 CD GLU A 49 2.083 -4.274 -20.584 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.457 -3.258 -20.961 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.418 -5.191 -21.360 1.00 0.00 O ATOM 0 H GLU A 49 -0.114 -7.214 -17.141 1.00 0.00 H new ATOM 0 HA GLU A 49 0.547 -6.273 -19.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.458 -4.312 -18.321 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.620 -5.099 -17.271 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.691 -3.424 -18.718 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.325 -5.030 -19.015 1.00 0.00 H new ATOM 763 N ALA A 50 2.711 -7.561 -19.772 1.00 0.00 N ATOM 764 CA ALA A 50 3.750 -8.586 -19.854 1.00 0.00 C ATOM 765 C ALA A 50 4.742 -8.491 -18.696 1.00 0.00 C ATOM 766 O ALA A 50 5.330 -7.436 -18.450 1.00 0.00 O ATOM 767 CB ALA A 50 4.481 -8.480 -21.181 1.00 0.00 C ATOM 0 H ALA A 50 2.630 -6.986 -20.610 1.00 0.00 H new ATOM 0 HA ALA A 50 3.260 -9.557 -19.784 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.253 -9.247 -21.233 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.774 -8.621 -21.998 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.941 -7.496 -21.265 1.00 0.00 H new ATOM 773 N ILE A 51 4.916 -9.600 -17.994 1.00 0.00 N ATOM 774 CA ILE A 51 5.824 -9.664 -16.861 1.00 0.00 C ATOM 775 C ILE A 51 7.087 -10.426 -17.241 1.00 0.00 C ATOM 776 O ILE A 51 7.012 -11.524 -17.787 1.00 0.00 O ATOM 777 CB ILE A 51 5.160 -10.367 -15.655 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.888 -9.622 -15.230 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.136 -10.464 -14.489 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.145 -10.295 -14.098 1.00 0.00 C ATOM 0 H ILE A 51 4.434 -10.477 -18.193 1.00 0.00 H new ATOM 0 HA ILE A 51 6.077 -8.641 -16.582 1.00 0.00 H new ATOM 0 HB ILE A 51 4.882 -11.377 -15.957 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.153 -8.609 -14.928 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.223 -9.535 -16.089 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.651 -10.962 -13.649 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.012 -11.037 -14.794 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.444 -9.463 -14.188 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.257 -9.714 -13.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.849 -11.299 -14.403 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.793 -10.358 -13.224 1.00 0.00 H new ATOM 792 N SER A 52 8.243 -9.849 -16.959 1.00 0.00 N ATOM 793 CA SER A 52 9.496 -10.527 -17.230 1.00 0.00 C ATOM 794 C SER A 52 10.446 -10.399 -16.051 1.00 0.00 C ATOM 795 O SER A 52 10.249 -9.560 -15.172 1.00 0.00 O ATOM 796 CB SER A 52 10.151 -9.964 -18.493 1.00 0.00 C ATOM 797 OG SER A 52 10.249 -8.550 -18.437 1.00 0.00 O ATOM 0 H SER A 52 8.339 -8.921 -16.546 1.00 0.00 H new ATOM 0 HA SER A 52 9.279 -11.583 -17.388 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.145 -10.395 -18.613 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.570 -10.256 -19.368 1.00 0.00 H new ATOM 0 HG SER A 52 9.794 -8.222 -17.633 1.00 0.00 H new ATOM 803 N PRO A 53 11.479 -11.250 -16.011 1.00 0.00 N ATOM 804 CA PRO A 53 12.556 -11.138 -15.026 1.00 0.00 C ATOM 805 C PRO A 53 13.328 -9.830 -15.193 1.00 0.00 C ATOM 806 O PRO A 53 13.974 -9.348 -14.260 1.00 0.00 O ATOM 807 CB PRO A 53 13.467 -12.335 -15.334 1.00 0.00 C ATOM 808 CG PRO A 53 12.646 -13.261 -16.168 1.00 0.00 C ATOM 809 CD PRO A 53 11.655 -12.407 -16.902 1.00 0.00 C ATOM 0 HA PRO A 53 12.179 -11.138 -14.003 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.363 -12.018 -15.867 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.797 -12.822 -14.417 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.274 -13.814 -16.866 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.138 -13.997 -15.545 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.029 -12.107 -17.881 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.715 -12.934 -17.068 1.00 0.00 H new ATOM 817 N GLN A 54 13.244 -9.264 -16.393 1.00 0.00 N ATOM 818 CA GLN A 54 13.925 -8.019 -16.715 1.00 0.00 C ATOM 819 C GLN A 54 13.106 -6.820 -16.251 1.00 0.00 C ATOM 820 O GLN A 54 13.564 -6.021 -15.435 1.00 0.00 O ATOM 821 CB GLN A 54 14.165 -7.928 -18.223 1.00 0.00 C ATOM 822 CG GLN A 54 14.998 -9.069 -18.786 1.00 0.00 C ATOM 823 CD GLN A 54 15.242 -8.923 -20.277 1.00 0.00 C ATOM 824 OE1 GLN A 54 16.223 -8.312 -20.699 1.00 0.00 O ATOM 825 NE2 GLN A 54 14.355 -9.484 -21.088 1.00 0.00 N ATOM 0 H GLN A 54 12.704 -9.655 -17.165 1.00 0.00 H new ATOM 0 HA GLN A 54 14.883 -8.008 -16.195 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.202 -7.908 -18.733 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.663 -6.984 -18.445 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.955 -9.108 -18.266 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.492 -10.015 -18.594 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.554 -9.983 -20.701 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.474 -9.417 -22.099 1.00 0.00 H new ATOM 834 N ASN A 55 11.890 -6.706 -16.767 1.00 0.00 N ATOM 835 CA ASN A 55 11.013 -5.601 -16.414 1.00 0.00 C ATOM 836 C ASN A 55 9.699 -6.134 -15.866 1.00 0.00 C ATOM 837 O ASN A 55 9.096 -7.043 -16.445 1.00 0.00 O ATOM 838 CB ASN A 55 10.752 -4.704 -17.629 1.00 0.00 C ATOM 839 CG ASN A 55 9.840 -3.532 -17.304 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.838 -3.020 -16.184 1.00 0.00 O ATOM 841 ND2 ASN A 55 9.062 -3.094 -18.284 1.00 0.00 N ATOM 0 H ASN A 55 11.489 -7.367 -17.432 1.00 0.00 H new ATOM 0 HA ASN A 55 11.504 -5.003 -15.646 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.702 -4.327 -18.008 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.304 -5.298 -18.425 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.434 -2.307 -18.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.092 -3.544 -19.199 1.00 0.00 H new ATOM 848 N SER A 56 9.273 -5.581 -14.742 1.00 0.00 N ATOM 849 CA SER A 56 8.021 -5.972 -14.120 1.00 0.00 C ATOM 850 C SER A 56 6.836 -5.672 -15.036 1.00 0.00 C ATOM 851 O SER A 56 6.909 -4.800 -15.907 1.00 0.00 O ATOM 852 CB SER A 56 7.845 -5.230 -12.798 1.00 0.00 C ATOM 853 OG SER A 56 9.029 -5.286 -12.019 1.00 0.00 O ATOM 0 H SER A 56 9.782 -4.854 -14.239 1.00 0.00 H new ATOM 0 HA SER A 56 8.053 -7.046 -13.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.583 -4.190 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.018 -5.667 -12.239 1.00 0.00 H new ATOM 0 HG SER A 56 9.064 -6.139 -11.537 1.00 0.00 H new ATOM 859 N GLY A 57 5.753 -6.396 -14.827 1.00 0.00 N ATOM 860 CA GLY A 57 4.548 -6.175 -15.594 1.00 0.00 C ATOM 861 C GLY A 57 3.442 -5.626 -14.727 1.00 0.00 C ATOM 862 O GLY A 57 3.711 -5.061 -13.664 1.00 0.00 O ATOM 0 H GLY A 57 5.686 -7.140 -14.133 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.754 -5.480 -16.408 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.226 -7.112 -16.049 1.00 0.00 H new ATOM 866 N LEU A 58 2.205 -5.809 -15.156 1.00 0.00 N ATOM 867 CA LEU A 58 1.060 -5.312 -14.407 1.00 0.00 C ATOM 868 C LEU A 58 0.075 -6.432 -14.120 1.00 0.00 C ATOM 869 O LEU A 58 -0.332 -7.165 -15.023 1.00 0.00 O ATOM 870 CB LEU A 58 0.343 -4.196 -15.173 1.00 0.00 C ATOM 871 CG LEU A 58 1.116 -2.889 -15.320 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.303 -1.883 -16.120 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.473 -2.324 -13.955 1.00 0.00 C ATOM 0 H LEU A 58 1.966 -6.298 -16.019 1.00 0.00 H new ATOM 0 HA LEU A 58 1.436 -4.913 -13.465 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.097 -4.565 -16.169 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.600 -3.984 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 58 2.042 -3.092 -15.858 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.866 -0.955 -16.217 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.097 -2.288 -17.111 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.637 -1.684 -15.606 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.024 -1.392 -14.080 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.560 -2.133 -13.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.091 -3.041 -13.415 1.00 0.00 H new ATOM 885 N VAL A 59 -0.302 -6.559 -12.861 1.00 0.00 N ATOM 886 CA VAL A 59 -1.308 -7.521 -12.455 1.00 0.00 C ATOM 887 C VAL A 59 -2.479 -6.807 -11.801 1.00 0.00 C ATOM 888 O VAL A 59 -2.301 -5.789 -11.128 1.00 0.00 O ATOM 889 CB VAL A 59 -0.749 -8.584 -11.482 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.262 -9.474 -12.190 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.124 -7.927 -10.254 1.00 0.00 C ATOM 0 H VAL A 59 0.078 -6.002 -12.096 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.637 -8.037 -13.357 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.578 -9.205 -11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.646 -10.217 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.221 -9.979 -13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.086 -8.865 -12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.261 -8.697 -9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.692 -7.275 -10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.879 -7.339 -9.732 1.00 0.00 H new ATOM 901 N LYS A 60 -3.676 -7.324 -12.021 1.00 0.00 N ATOM 902 CA LYS A 60 -4.863 -6.761 -11.406 1.00 0.00 C ATOM 903 C LYS A 60 -5.161 -7.485 -10.101 1.00 0.00 C ATOM 904 O LYS A 60 -5.599 -8.639 -10.104 1.00 0.00 O ATOM 905 CB LYS A 60 -6.065 -6.870 -12.345 1.00 0.00 C ATOM 906 CG LYS A 60 -7.326 -6.218 -11.801 1.00 0.00 C ATOM 907 CD LYS A 60 -8.523 -6.506 -12.693 1.00 0.00 C ATOM 908 CE LYS A 60 -9.778 -5.817 -12.181 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.988 -6.218 -12.947 1.00 0.00 N ATOM 0 H LYS A 60 -3.850 -8.131 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.679 -5.706 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.812 -6.410 -13.300 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.267 -7.923 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.523 -6.585 -10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.177 -5.141 -11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.311 -6.170 -13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.691 -7.582 -12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.920 -6.059 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.650 -4.736 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.820 -5.725 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.865 -5.964 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.126 -7.245 -12.865 1.00 0.00 H new ATOM 923 N VAL A 61 -4.907 -6.811 -8.990 1.00 0.00 N ATOM 924 CA VAL A 61 -5.160 -7.381 -7.679 1.00 0.00 C ATOM 925 C VAL A 61 -6.495 -6.873 -7.151 1.00 0.00 C ATOM 926 O VAL A 61 -6.608 -5.714 -6.739 1.00 0.00 O ATOM 927 CB VAL A 61 -4.042 -7.040 -6.671 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.259 -7.786 -5.361 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.672 -7.365 -7.253 1.00 0.00 C ATOM 0 H VAL A 61 -4.525 -5.866 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.185 -8.465 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.080 -5.970 -6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.461 -7.534 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.220 -7.499 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.251 -8.860 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.899 -7.117 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.620 -8.428 -7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.515 -6.783 -8.161 1.00 0.00 H new ATOM 939 N ASP A 62 -7.505 -7.742 -7.209 1.00 0.00 N ATOM 940 CA ASP A 62 -8.872 -7.416 -6.787 1.00 0.00 C ATOM 941 C ASP A 62 -9.511 -6.395 -7.726 1.00 0.00 C ATOM 942 O ASP A 62 -10.377 -6.738 -8.530 1.00 0.00 O ATOM 943 CB ASP A 62 -8.920 -6.909 -5.337 1.00 0.00 C ATOM 944 CG ASP A 62 -10.339 -6.640 -4.860 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.815 -5.495 -5.003 1.00 0.00 O ATOM 946 OD2 ASP A 62 -10.987 -7.573 -4.335 1.00 0.00 O ATOM 0 H ASP A 62 -7.399 -8.697 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.446 -8.341 -6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.454 -7.645 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.333 -5.994 -5.256 1.00 0.00 H new ATOM 952 N GLY A 63 -9.073 -5.149 -7.630 1.00 0.00 N ATOM 953 CA GLY A 63 -9.639 -4.096 -8.450 1.00 0.00 C ATOM 954 C GLY A 63 -8.634 -3.026 -8.839 1.00 0.00 C ATOM 955 O GLY A 63 -8.982 -2.075 -9.538 1.00 0.00 O ATOM 0 H GLY A 63 -8.333 -4.846 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.058 -4.536 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.464 -3.630 -7.911 1.00 0.00 H new ATOM 959 N GLU A 64 -7.392 -3.163 -8.390 1.00 0.00 N ATOM 960 CA GLU A 64 -6.358 -2.198 -8.728 1.00 0.00 C ATOM 961 C GLU A 64 -5.209 -2.875 -9.469 1.00 0.00 C ATOM 962 O GLU A 64 -4.981 -4.075 -9.313 1.00 0.00 O ATOM 963 CB GLU A 64 -5.848 -1.492 -7.473 1.00 0.00 C ATOM 964 CG GLU A 64 -6.881 -0.576 -6.831 1.00 0.00 C ATOM 965 CD GLU A 64 -6.302 0.272 -5.719 1.00 0.00 C ATOM 966 OE1 GLU A 64 -6.285 -0.187 -4.564 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.876 1.419 -5.996 1.00 0.00 O ATOM 0 H GLU A 64 -7.079 -3.930 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.795 -1.449 -9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.536 -2.241 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.964 -0.908 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.307 0.075 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.698 -1.179 -6.434 1.00 0.00 H new ATOM 975 N THR A 65 -4.498 -2.104 -10.279 1.00 0.00 N ATOM 976 CA THR A 65 -3.402 -2.635 -11.076 1.00 0.00 C ATOM 977 C THR A 65 -2.053 -2.282 -10.444 1.00 0.00 C ATOM 978 O THR A 65 -1.768 -1.114 -10.167 1.00 0.00 O ATOM 979 CB THR A 65 -3.460 -2.083 -12.513 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.806 -2.175 -13.014 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.519 -2.850 -13.432 1.00 0.00 C ATOM 0 H THR A 65 -4.662 -1.105 -10.402 1.00 0.00 H new ATOM 0 HA THR A 65 -3.505 -3.720 -11.107 1.00 0.00 H new ATOM 0 HB THR A 65 -3.145 -1.040 -12.492 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.840 -1.822 -13.927 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.580 -2.440 -14.440 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.497 -2.759 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.805 -3.902 -13.451 1.00 0.00 H new ATOM 989 N TRP A 66 -1.233 -3.297 -10.208 1.00 0.00 N ATOM 990 CA TRP A 66 0.071 -3.109 -9.575 1.00 0.00 C ATOM 991 C TRP A 66 1.176 -3.739 -10.416 1.00 0.00 C ATOM 992 O TRP A 66 0.917 -4.641 -11.217 1.00 0.00 O ATOM 993 CB TRP A 66 0.082 -3.734 -8.177 1.00 0.00 C ATOM 994 CG TRP A 66 -0.822 -3.050 -7.190 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.175 -3.205 -7.063 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.430 -2.112 -6.179 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.647 -2.413 -6.044 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.595 -1.735 -5.483 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.792 -1.556 -5.798 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -1.574 -0.828 -4.428 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.814 -0.654 -4.749 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.363 -0.297 -4.074 1.00 0.00 C ATOM 0 H TRP A 66 -1.447 -4.265 -10.446 1.00 0.00 H new ATOM 0 HA TRP A 66 0.252 -2.037 -9.494 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.211 -4.781 -8.257 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.101 -3.717 -7.792 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.784 -3.855 -7.674 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.622 -2.341 -5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.703 -1.825 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.480 -0.553 -3.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.754 -0.217 -4.444 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.313 0.410 -3.259 1.00 0.00 H new ATOM 1013 N ARG A 67 2.403 -3.258 -10.238 1.00 0.00 N ATOM 1014 CA ARG A 67 3.559 -3.860 -10.891 1.00 0.00 C ATOM 1015 C ARG A 67 3.886 -5.195 -10.244 1.00 0.00 C ATOM 1016 O ARG A 67 3.758 -5.350 -9.032 1.00 0.00 O ATOM 1017 CB ARG A 67 4.788 -2.955 -10.805 1.00 0.00 C ATOM 1018 CG ARG A 67 4.860 -1.877 -11.873 1.00 0.00 C ATOM 1019 CD ARG A 67 3.773 -0.833 -11.707 1.00 0.00 C ATOM 1020 NE ARG A 67 4.035 0.348 -12.527 1.00 0.00 N ATOM 1021 CZ ARG A 67 4.233 1.569 -12.027 1.00 0.00 C ATOM 1022 NH1 ARG A 67 4.166 1.774 -10.717 1.00 0.00 N ATOM 1023 NH2 ARG A 67 4.507 2.588 -12.834 1.00 0.00 N ATOM 0 H ARG A 67 2.621 -2.455 -9.648 1.00 0.00 H new ATOM 0 HA ARG A 67 3.304 -4.002 -11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.803 -2.478 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.683 -3.574 -10.872 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.836 -1.393 -11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.773 -2.337 -12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.810 -1.262 -11.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.704 -0.542 -10.659 1.00 0.00 H new ATOM 0 HE ARG A 67 4.068 0.232 -13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.963 0.997 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.318 2.709 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.567 2.439 -13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.657 3.519 -12.446 1.00 0.00 H new ATOM 1037 N ALA A 68 4.307 -6.151 -11.048 1.00 0.00 N ATOM 1038 CA ALA A 68 4.660 -7.465 -10.538 1.00 0.00 C ATOM 1039 C ALA A 68 5.829 -8.057 -11.309 1.00 0.00 C ATOM 1040 O ALA A 68 5.939 -7.874 -12.521 1.00 0.00 O ATOM 1041 CB ALA A 68 3.464 -8.398 -10.610 1.00 0.00 C ATOM 0 H ALA A 68 4.414 -6.045 -12.057 1.00 0.00 H new ATOM 0 HA ALA A 68 4.961 -7.351 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.744 -9.378 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.649 -7.992 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.140 -8.494 -11.646 1.00 0.00 H new ATOM 1047 N THR A 69 6.701 -8.753 -10.598 1.00 0.00 N ATOM 1048 CA THR A 69 7.813 -9.451 -11.214 1.00 0.00 C ATOM 1049 C THR A 69 7.705 -10.943 -10.897 1.00 0.00 C ATOM 1050 O THR A 69 6.965 -11.335 -9.988 1.00 0.00 O ATOM 1051 CB THR A 69 9.167 -8.922 -10.693 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.092 -7.510 -10.441 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.280 -9.188 -11.697 1.00 0.00 C ATOM 0 H THR A 69 6.657 -8.849 -9.583 1.00 0.00 H new ATOM 0 HA THR A 69 7.769 -9.282 -12.290 1.00 0.00 H new ATOM 0 HB THR A 69 9.391 -9.448 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.957 -7.190 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.222 -8.805 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.367 -10.261 -11.868 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.049 -8.688 -12.638 1.00 0.00 H new ATOM 1061 N SER A 70 8.435 -11.764 -11.635 1.00 0.00 N ATOM 1062 CA SER A 70 8.413 -13.201 -11.429 1.00 0.00 C ATOM 1063 C SER A 70 9.637 -13.833 -12.088 1.00 0.00 C ATOM 1064 O SER A 70 10.456 -13.137 -12.694 1.00 0.00 O ATOM 1065 CB SER A 70 7.122 -13.803 -12.002 1.00 0.00 C ATOM 1066 OG SER A 70 6.927 -15.134 -11.548 1.00 0.00 O ATOM 0 H SER A 70 9.053 -11.456 -12.386 1.00 0.00 H new ATOM 0 HA SER A 70 8.440 -13.409 -10.359 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.271 -13.188 -11.709 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.165 -13.791 -13.091 1.00 0.00 H new ATOM 0 HG SER A 70 6.482 -15.120 -10.675 1.00 0.00 H new ATOM 1072 N GLY A 71 9.760 -15.145 -11.960 1.00 0.00 N ATOM 1073 CA GLY A 71 10.871 -15.849 -12.561 1.00 0.00 C ATOM 1074 C GLY A 71 10.561 -16.314 -13.967 1.00 0.00 C ATOM 1075 O GLY A 71 11.438 -16.808 -14.670 1.00 0.00 O ATOM 0 H GLY A 71 9.106 -15.737 -11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.744 -15.197 -12.580 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.130 -16.710 -11.944 1.00 0.00 H new ATOM 1079 N THR A 72 9.305 -16.166 -14.371 1.00 0.00 N ATOM 1080 CA THR A 72 8.871 -16.557 -15.699 1.00 0.00 C ATOM 1081 C THR A 72 8.327 -15.356 -16.464 1.00 0.00 C ATOM 1082 O THR A 72 8.045 -14.308 -15.874 1.00 0.00 O ATOM 1083 CB THR A 72 7.794 -17.656 -15.624 1.00 0.00 C ATOM 1084 OG1 THR A 72 6.947 -17.437 -14.489 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.427 -19.035 -15.536 1.00 0.00 C ATOM 0 H THR A 72 8.565 -15.774 -13.788 1.00 0.00 H new ATOM 0 HA THR A 72 9.738 -16.951 -16.229 1.00 0.00 H new ATOM 0 HB THR A 72 7.198 -17.609 -16.535 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.264 -18.139 -14.450 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.644 -19.792 -15.484 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.043 -19.210 -16.418 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.048 -19.094 -14.642 1.00 0.00 H new ATOM 1093 N VAL A 73 8.190 -15.500 -17.773 1.00 0.00 N ATOM 1094 CA VAL A 73 7.646 -14.433 -18.595 1.00 0.00 C ATOM 1095 C VAL A 73 6.140 -14.619 -18.745 1.00 0.00 C ATOM 1096 O VAL A 73 5.672 -15.373 -19.601 1.00 0.00 O ATOM 1097 CB VAL A 73 8.310 -14.380 -19.988 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.864 -13.140 -20.750 1.00 0.00 C ATOM 1099 CG2 VAL A 73 9.827 -14.417 -19.863 1.00 0.00 C ATOM 0 H VAL A 73 8.447 -16.343 -18.287 1.00 0.00 H new ATOM 0 HA VAL A 73 7.857 -13.488 -18.095 1.00 0.00 H new ATOM 0 HB VAL A 73 7.992 -15.258 -20.550 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.344 -13.122 -21.729 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.782 -13.160 -20.877 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.147 -12.248 -20.191 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.275 -14.379 -20.856 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.165 -13.561 -19.279 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.129 -15.338 -19.364 1.00 0.00 H new ATOM 1109 N LEU A 74 5.390 -13.938 -17.892 1.00 0.00 N ATOM 1110 CA LEU A 74 3.948 -14.102 -17.827 1.00 0.00 C ATOM 1111 C LEU A 74 3.252 -13.193 -18.831 1.00 0.00 C ATOM 1112 O LEU A 74 3.528 -11.992 -18.899 1.00 0.00 O ATOM 1113 CB LEU A 74 3.455 -13.806 -16.409 1.00 0.00 C ATOM 1114 CG LEU A 74 4.100 -14.659 -15.315 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.644 -14.195 -13.943 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.762 -16.126 -15.520 1.00 0.00 C ATOM 0 H LEU A 74 5.763 -13.259 -17.228 1.00 0.00 H new ATOM 0 HA LEU A 74 3.704 -15.134 -18.081 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.640 -12.755 -16.187 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.376 -13.954 -16.376 1.00 0.00 H new ATOM 0 HG LEU A 74 5.182 -14.542 -15.376 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.112 -14.812 -13.176 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.932 -13.154 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.560 -14.285 -13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.228 -16.720 -14.734 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.681 -16.259 -15.483 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.134 -16.453 -16.491 1.00 0.00 H new ATOM 1128 N ASP A 75 2.357 -13.778 -19.614 1.00 0.00 N ATOM 1129 CA ASP A 75 1.625 -13.038 -20.632 1.00 0.00 C ATOM 1130 C ASP A 75 0.271 -12.597 -20.118 1.00 0.00 C ATOM 1131 O ASP A 75 -0.222 -13.099 -19.102 1.00 0.00 O ATOM 1132 CB ASP A 75 1.424 -13.885 -21.890 1.00 0.00 C ATOM 1133 CG ASP A 75 2.692 -14.072 -22.690 1.00 0.00 C ATOM 1134 OD1 ASP A 75 3.095 -13.126 -23.403 1.00 0.00 O ATOM 1135 OD2 ASP A 75 3.280 -15.175 -22.633 1.00 0.00 O ATOM 0 H ASP A 75 2.119 -14.769 -19.563 1.00 0.00 H new ATOM 0 HA ASP A 75 2.221 -12.159 -20.879 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.035 -14.862 -21.604 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.670 -13.414 -22.521 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.328 -11.664 -20.842 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.640 -11.139 -20.506 1.00 0.00 C ATOM 1143 C VAL A 76 -2.690 -12.240 -20.565 1.00 0.00 C ATOM 1144 O VAL A 76 -2.756 -13.001 -21.533 1.00 0.00 O ATOM 1145 CB VAL A 76 -2.045 -9.992 -21.458 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.391 -9.406 -21.063 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.974 -8.913 -21.484 1.00 0.00 C ATOM 0 H VAL A 76 0.083 -11.250 -21.679 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.584 -10.747 -19.490 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.140 -10.404 -22.463 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.653 -8.600 -21.749 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.154 -10.183 -21.108 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.333 -9.013 -20.048 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.279 -8.114 -22.160 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.841 -8.508 -20.481 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.033 -9.342 -21.829 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.491 -12.338 -19.515 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.544 -13.329 -19.478 1.00 0.00 C ATOM 1159 C GLY A 77 -4.246 -14.470 -18.528 1.00 0.00 C ATOM 1160 O GLY A 77 -5.112 -15.300 -18.261 1.00 0.00 O ATOM 0 H GLY A 77 -3.430 -11.747 -18.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.477 -12.850 -19.181 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.696 -13.728 -20.481 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.017 -14.539 -18.034 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.649 -15.560 -17.077 1.00 0.00 C ATOM 1166 C GLU A 78 -3.143 -15.236 -15.677 1.00 0.00 C ATOM 1167 O GLU A 78 -3.490 -14.095 -15.364 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.143 -15.723 -17.055 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.621 -16.599 -18.166 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.220 -17.992 -18.139 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.875 -18.375 -19.132 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.048 -18.704 -17.127 1.00 0.00 O ATOM 0 H GLU A 78 -2.263 -13.899 -18.283 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.124 -16.489 -17.391 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.677 -14.740 -17.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.844 -16.147 -16.096 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.840 -16.132 -19.126 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.464 -16.672 -18.087 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.128 -16.259 -14.843 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.530 -16.149 -13.450 1.00 0.00 C ATOM 1182 C GLU A 79 -2.289 -16.221 -12.577 1.00 0.00 C ATOM 1183 O GLU A 79 -1.410 -17.054 -12.812 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.478 -17.292 -13.078 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.781 -17.307 -13.859 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.823 -16.363 -13.291 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.521 -16.756 -12.330 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.967 -15.237 -13.810 1.00 0.00 O ATOM 0 H GLU A 79 -2.834 -17.198 -15.114 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.047 -15.201 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.964 -18.240 -13.235 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.707 -17.226 -12.014 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.580 -17.036 -14.896 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.182 -18.320 -13.866 1.00 0.00 H new ATOM 1196 N VAL A 80 -2.192 -15.345 -11.590 1.00 0.00 N ATOM 1197 CA VAL A 80 -1.044 -15.359 -10.691 1.00 0.00 C ATOM 1198 C VAL A 80 -1.480 -15.297 -9.239 1.00 0.00 C ATOM 1199 O VAL A 80 -2.621 -14.963 -8.935 1.00 0.00 O ATOM 1200 CB VAL A 80 -0.068 -14.190 -10.978 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.452 -14.263 -12.404 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.734 -12.847 -10.707 1.00 0.00 C ATOM 0 H VAL A 80 -2.884 -14.623 -11.390 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.524 -16.300 -10.872 1.00 0.00 H new ATOM 0 HB VAL A 80 0.783 -14.283 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.135 -13.433 -12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.979 -15.206 -12.551 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.385 -14.202 -13.100 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.029 -12.042 -10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.609 -12.739 -11.348 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.042 -12.798 -9.663 1.00 0.00 H new ATOM 1212 N SER A 81 -0.566 -15.644 -8.353 1.00 0.00 N ATOM 1213 CA SER A 81 -0.795 -15.516 -6.921 1.00 0.00 C ATOM 1214 C SER A 81 0.316 -14.665 -6.319 1.00 0.00 C ATOM 1215 O SER A 81 1.495 -14.867 -6.627 1.00 0.00 O ATOM 1216 CB SER A 81 -0.843 -16.899 -6.255 1.00 0.00 C ATOM 1217 OG SER A 81 -1.226 -16.804 -4.892 1.00 0.00 O ATOM 0 H SER A 81 0.350 -16.020 -8.599 1.00 0.00 H new ATOM 0 HA SER A 81 -1.756 -15.033 -6.747 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.547 -17.537 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.136 -17.374 -6.327 1.00 0.00 H new ATOM 0 HG SER A 81 -1.249 -17.700 -4.496 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.062 -13.703 -5.489 1.00 0.00 N ATOM 1224 CA VAL A 82 0.896 -12.771 -4.903 1.00 0.00 C ATOM 1225 C VAL A 82 1.617 -13.394 -3.713 1.00 0.00 C ATOM 1226 O VAL A 82 1.001 -13.703 -2.693 1.00 0.00 O ATOM 1227 CB VAL A 82 0.209 -11.463 -4.452 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.229 -10.458 -3.927 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.599 -10.857 -5.590 1.00 0.00 C ATOM 0 H VAL A 82 -1.029 -13.546 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 82 1.624 -12.539 -5.680 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.473 -11.709 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.716 -9.547 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.756 -10.886 -3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.945 -10.221 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.074 -9.937 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.062 -10.636 -6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.365 -11.564 -5.909 1.00 0.00 H new ATOM 1239 N LYS A 83 2.923 -13.570 -3.851 1.00 0.00 N ATOM 1240 CA LYS A 83 3.738 -14.104 -2.785 1.00 0.00 C ATOM 1241 C LYS A 83 4.011 -13.036 -1.738 1.00 0.00 C ATOM 1242 O LYS A 83 3.737 -13.224 -0.553 1.00 0.00 O ATOM 1243 CB LYS A 83 5.062 -14.609 -3.349 1.00 0.00 C ATOM 1244 CG LYS A 83 4.948 -15.854 -4.188 1.00 0.00 C ATOM 1245 CD LYS A 83 4.439 -16.994 -3.354 1.00 0.00 C ATOM 1246 CE LYS A 83 4.397 -18.289 -4.143 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.771 -19.387 -3.365 1.00 0.00 N ATOM 0 H LYS A 83 3.439 -13.346 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 83 3.200 -14.929 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.511 -13.819 -3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.744 -14.805 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.274 -15.677 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.920 -16.108 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.079 -17.120 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.440 -16.759 -2.986 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.840 -18.134 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.410 -18.575 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.448 -20.170 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.504 -19.037 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.922 -19.725 -3.862 1.00 0.00 H new ATOM 1261 N ALA A 84 4.536 -11.902 -2.194 1.00 0.00 N ATOM 1262 CA ALA A 84 4.952 -10.835 -1.296 1.00 0.00 C ATOM 1263 C ALA A 84 5.089 -9.514 -2.041 1.00 0.00 C ATOM 1264 O ALA A 84 4.952 -9.461 -3.265 1.00 0.00 O ATOM 1265 CB ALA A 84 6.269 -11.198 -0.620 1.00 0.00 C ATOM 0 H ALA A 84 4.683 -11.700 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 84 4.183 -10.715 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.569 -10.391 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.143 -12.117 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.038 -11.346 -1.378 1.00 0.00 H new ATOM 1271 N ILE A 85 5.362 -8.455 -1.297 1.00 0.00 N ATOM 1272 CA ILE A 85 5.517 -7.130 -1.875 1.00 0.00 C ATOM 1273 C ILE A 85 6.992 -6.740 -1.913 1.00 0.00 C ATOM 1274 O ILE A 85 7.731 -6.988 -0.960 1.00 0.00 O ATOM 1275 CB ILE A 85 4.732 -6.076 -1.058 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.254 -6.474 -0.945 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.865 -4.689 -1.684 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.425 -5.526 -0.106 1.00 0.00 C ATOM 0 H ILE A 85 5.482 -8.488 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 85 5.120 -7.159 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 85 5.159 -6.038 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.825 -6.528 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.189 -7.474 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.304 -3.967 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.916 -4.400 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.470 -4.709 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.393 -5.875 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.827 -5.490 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.457 -4.529 -0.545 1.00 0.00 H new ATOM 1290 N GLU A 86 7.413 -6.138 -3.012 1.00 0.00 N ATOM 1291 CA GLU A 86 8.786 -5.676 -3.156 1.00 0.00 C ATOM 1292 C GLU A 86 8.804 -4.173 -3.431 1.00 0.00 C ATOM 1293 O GLU A 86 8.926 -3.736 -4.578 1.00 0.00 O ATOM 1294 CB GLU A 86 9.494 -6.435 -4.283 1.00 0.00 C ATOM 1295 CG GLU A 86 10.956 -6.052 -4.460 1.00 0.00 C ATOM 1296 CD GLU A 86 11.820 -6.449 -3.279 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.603 -7.409 -3.413 1.00 0.00 O ATOM 1298 OE2 GLU A 86 11.727 -5.800 -2.214 1.00 0.00 O ATOM 0 H GLU A 86 6.821 -5.956 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 86 9.320 -5.871 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.430 -7.505 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.965 -6.253 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.343 -6.526 -5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.028 -4.975 -4.610 1.00 0.00 H new ATOM 1306 N GLY A 87 8.641 -3.387 -2.378 1.00 0.00 N ATOM 1307 CA GLY A 87 8.631 -1.948 -2.527 1.00 0.00 C ATOM 1308 C GLY A 87 7.430 -1.457 -3.302 1.00 0.00 C ATOM 1309 O GLY A 87 6.316 -1.418 -2.782 1.00 0.00 O ATOM 0 H GLY A 87 8.515 -3.721 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.638 -1.483 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.542 -1.632 -3.035 1.00 0.00 H new ATOM 1313 N VAL A 88 7.666 -1.092 -4.548 1.00 0.00 N ATOM 1314 CA VAL A 88 6.607 -0.623 -5.429 1.00 0.00 C ATOM 1315 C VAL A 88 6.185 -1.741 -6.390 1.00 0.00 C ATOM 1316 O VAL A 88 5.235 -1.602 -7.166 1.00 0.00 O ATOM 1317 CB VAL A 88 7.072 0.624 -6.221 1.00 0.00 C ATOM 1318 CG1 VAL A 88 8.154 0.266 -7.230 1.00 0.00 C ATOM 1319 CG2 VAL A 88 5.897 1.317 -6.898 1.00 0.00 C ATOM 0 H VAL A 88 8.591 -1.111 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 88 5.747 -0.342 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 88 7.504 1.325 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.459 1.162 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.014 -0.154 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.765 -0.468 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.255 2.189 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.416 0.626 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.177 1.634 -6.143 1.00 0.00 H new ATOM 1329 N LYS A 89 6.897 -2.860 -6.313 1.00 0.00 N ATOM 1330 CA LYS A 89 6.626 -4.016 -7.157 1.00 0.00 C ATOM 1331 C LYS A 89 6.021 -5.141 -6.321 1.00 0.00 C ATOM 1332 O LYS A 89 6.047 -5.095 -5.089 1.00 0.00 O ATOM 1333 CB LYS A 89 7.922 -4.512 -7.815 1.00 0.00 C ATOM 1334 CG LYS A 89 8.623 -3.481 -8.686 1.00 0.00 C ATOM 1335 CD LYS A 89 10.015 -3.960 -9.077 1.00 0.00 C ATOM 1336 CE LYS A 89 10.755 -2.953 -9.946 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.155 -2.832 -11.300 1.00 0.00 N ATOM 0 H LYS A 89 7.675 -2.990 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 89 5.921 -3.720 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.610 -4.837 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.694 -5.387 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.033 -3.294 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.696 -2.535 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.596 -4.153 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.933 -4.906 -9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.746 -1.978 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.799 -3.253 -10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.857 -2.436 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.860 -3.772 -11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 9.327 -2.204 -11.258 1.00 0.00 H new ATOM 1351 N LEU A 90 5.470 -6.141 -6.986 1.00 0.00 N ATOM 1352 CA LEU A 90 4.972 -7.328 -6.307 1.00 0.00 C ATOM 1353 C LEU A 90 5.711 -8.555 -6.811 1.00 0.00 C ATOM 1354 O LEU A 90 6.179 -8.583 -7.949 1.00 0.00 O ATOM 1355 CB LEU A 90 3.469 -7.516 -6.538 1.00 0.00 C ATOM 1356 CG LEU A 90 2.573 -6.371 -6.063 1.00 0.00 C ATOM 1357 CD1 LEU A 90 1.118 -6.684 -6.358 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.771 -6.114 -4.578 1.00 0.00 C ATOM 0 H LEU A 90 5.355 -6.156 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 90 5.143 -7.198 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.301 -7.665 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.155 -8.430 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 90 2.852 -5.468 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.492 -5.861 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.985 -6.818 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.830 -7.599 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.124 -5.296 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.520 -7.014 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.811 -5.848 -4.390 1.00 0.00 H new ATOM 1370 N VAL A 91 5.825 -9.555 -5.960 1.00 0.00 N ATOM 1371 CA VAL A 91 6.421 -10.824 -6.354 1.00 0.00 C ATOM 1372 C VAL A 91 5.327 -11.870 -6.484 1.00 0.00 C ATOM 1373 O VAL A 91 4.698 -12.246 -5.493 1.00 0.00 O ATOM 1374 CB VAL A 91 7.475 -11.311 -5.328 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.128 -12.608 -5.791 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.528 -10.239 -5.087 1.00 0.00 C ATOM 0 H VAL A 91 5.514 -9.517 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 91 6.927 -10.676 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 91 6.962 -11.507 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.864 -12.928 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.366 -13.379 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.622 -12.445 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.258 -10.602 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.032 -10.006 -6.025 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.050 -9.340 -4.699 1.00 0.00 H new ATOM 1386 N VAL A 92 5.078 -12.323 -7.701 1.00 0.00 N ATOM 1387 CA VAL A 92 3.988 -13.254 -7.950 1.00 0.00 C ATOM 1388 C VAL A 92 4.489 -14.571 -8.532 1.00 0.00 C ATOM 1389 O VAL A 92 5.619 -14.665 -9.020 1.00 0.00 O ATOM 1390 CB VAL A 92 2.929 -12.653 -8.905 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.263 -11.432 -8.282 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.552 -12.295 -10.245 1.00 0.00 C ATOM 0 H VAL A 92 5.613 -12.063 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 92 3.527 -13.446 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 92 2.162 -13.409 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.523 -11.029 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.772 -11.720 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.017 -10.673 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.789 -11.874 -10.900 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.345 -11.562 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.970 -13.192 -10.703 1.00 0.00 H new ATOM 1402 N GLU A 93 3.638 -15.586 -8.467 1.00 0.00 N ATOM 1403 CA GLU A 93 3.936 -16.876 -9.066 1.00 0.00 C ATOM 1404 C GLU A 93 3.025 -17.081 -10.250 1.00 0.00 C ATOM 1405 O GLU A 93 2.148 -16.259 -10.509 1.00 0.00 O ATOM 1406 CB GLU A 93 3.708 -18.018 -8.073 1.00 0.00 C ATOM 1407 CG GLU A 93 2.264 -18.123 -7.593 1.00 0.00 C ATOM 1408 CD GLU A 93 1.982 -19.396 -6.823 1.00 0.00 C ATOM 1409 OE1 GLU A 93 1.809 -20.458 -7.457 1.00 0.00 O ATOM 1410 OE2 GLU A 93 1.922 -19.343 -5.580 1.00 0.00 O ATOM 0 H GLU A 93 2.731 -15.538 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 93 4.983 -16.882 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.997 -18.959 -8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.360 -17.876 -7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.035 -17.265 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.597 -18.071 -8.454 1.00 0.00 H new ATOM 1418 N LYS A 94 3.210 -18.176 -10.951 1.00 0.00 N ATOM 1419 CA LYS A 94 2.276 -18.540 -11.991 1.00 0.00 C ATOM 1420 C LYS A 94 1.257 -19.475 -11.392 1.00 0.00 C ATOM 1421 O LYS A 94 1.604 -20.528 -10.848 1.00 0.00 O ATOM 1422 CB LYS A 94 2.976 -19.218 -13.166 1.00 0.00 C ATOM 1423 CG LYS A 94 2.085 -19.409 -14.384 1.00 0.00 C ATOM 1424 CD LYS A 94 2.787 -20.220 -15.460 1.00 0.00 C ATOM 1425 CE LYS A 94 1.960 -20.305 -16.734 1.00 0.00 C ATOM 1426 NZ LYS A 94 0.599 -20.853 -16.489 1.00 0.00 N ATOM 0 H LYS A 94 3.988 -18.823 -10.823 1.00 0.00 H new ATOM 0 HA LYS A 94 1.800 -17.639 -12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.844 -18.624 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.348 -20.190 -12.843 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.165 -19.913 -14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.801 -18.436 -14.786 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.753 -19.768 -15.684 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.984 -21.225 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.875 -19.312 -17.176 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.477 -20.934 -17.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.298 -21.414 -17.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.616 -21.459 -15.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.069 -20.070 -16.341 1.00 0.00 H new ATOM 1440 N LEU A 95 0.010 -19.098 -11.485 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.043 -19.884 -10.888 1.00 0.00 C ATOM 1442 C LEU A 95 -1.488 -20.964 -11.851 1.00 0.00 C ATOM 1443 O LEU A 95 -1.690 -20.710 -13.038 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.216 -18.998 -10.485 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.332 -19.702 -9.721 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -2.819 -20.249 -8.400 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.502 -18.761 -9.494 1.00 0.00 C ATOM 0 H LEU A 95 -0.304 -18.255 -11.966 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.659 -20.358 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.838 -18.180 -9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.639 -18.552 -11.385 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.680 -20.541 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.632 -20.747 -7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.018 -20.963 -8.589 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.439 -19.430 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.288 -19.283 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.169 -17.899 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.891 -18.425 -10.455 1.00 0.00 H new ATOM 1459 N GLU A 96 -1.624 -22.167 -11.329 1.00 0.00 N ATOM 1460 CA GLU A 96 -1.983 -23.320 -12.142 1.00 0.00 C ATOM 1461 C GLU A 96 -2.888 -24.255 -11.354 1.00 0.00 C ATOM 1462 O GLU A 96 -3.010 -25.438 -11.674 1.00 0.00 O ATOM 1463 CB GLU A 96 -0.720 -24.068 -12.575 1.00 0.00 C ATOM 1464 CG GLU A 96 -0.809 -24.672 -13.967 1.00 0.00 C ATOM 1465 CD GLU A 96 -0.718 -23.626 -15.058 1.00 0.00 C ATOM 1466 OE1 GLU A 96 -1.772 -23.209 -15.582 1.00 0.00 O ATOM 1467 OE2 GLU A 96 0.413 -23.215 -15.392 1.00 0.00 O ATOM 0 H GLU A 96 -1.491 -22.376 -10.339 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.515 -22.973 -13.027 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.126 -23.382 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.516 -24.862 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.007 -25.399 -14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.749 -25.214 -14.065 1.00 0.00 H new ATOM 1475 N GLU A 97 -3.517 -23.702 -10.318 1.00 0.00 N ATOM 1476 CA GLU A 97 -4.404 -24.461 -9.430 1.00 0.00 C ATOM 1477 C GLU A 97 -3.613 -25.531 -8.660 1.00 0.00 C ATOM 1478 O GLU A 97 -4.182 -26.417 -8.030 1.00 0.00 O ATOM 1479 CB GLU A 97 -5.541 -25.088 -10.255 1.00 0.00 C ATOM 1480 CG GLU A 97 -6.618 -25.790 -9.441 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.791 -27.242 -9.851 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -6.377 -28.139 -9.084 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -7.339 -27.497 -10.943 1.00 0.00 O ATOM 0 H GLU A 97 -3.428 -22.717 -10.069 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.841 -23.787 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.010 -24.306 -10.851 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.110 -25.805 -10.953 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.361 -25.741 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.565 -25.264 -9.564 1.00 0.00 H new ATOM 1491 N GLN A 98 -2.288 -25.417 -8.692 1.00 0.00 N ATOM 1492 CA GLN A 98 -1.416 -26.398 -8.061 1.00 0.00 C ATOM 1493 C GLN A 98 -1.664 -26.481 -6.558 1.00 0.00 C ATOM 1494 O GLN A 98 -1.624 -25.475 -5.846 1.00 0.00 O ATOM 1495 CB GLN A 98 0.052 -26.065 -8.345 1.00 0.00 C ATOM 1496 CG GLN A 98 1.038 -27.063 -7.750 1.00 0.00 C ATOM 1497 CD GLN A 98 2.454 -26.853 -8.250 1.00 0.00 C ATOM 1498 OE1 GLN A 98 2.666 -26.400 -9.373 1.00 0.00 O ATOM 1499 NE2 GLN A 98 3.434 -27.196 -7.427 1.00 0.00 N ATOM 0 H GLN A 98 -1.795 -24.651 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.646 -27.374 -8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.202 -26.020 -9.424 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.272 -25.073 -7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.024 -26.978 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.717 -28.075 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.217 -27.568 -6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.406 -27.088 -7.718 1.00 0.00 H new ATOM 1508 N LYS A 99 -1.928 -27.688 -6.091 1.00 0.00 N ATOM 1509 CA LYS A 99 -2.171 -27.939 -4.679 1.00 0.00 C ATOM 1510 C LYS A 99 -1.133 -28.923 -4.157 1.00 0.00 C ATOM 1511 O LYS A 99 -1.375 -29.675 -3.211 1.00 0.00 O ATOM 1512 CB LYS A 99 -3.591 -28.486 -4.477 1.00 0.00 C ATOM 1513 CG LYS A 99 -3.897 -29.730 -5.300 1.00 0.00 C ATOM 1514 CD LYS A 99 -5.356 -30.136 -5.166 1.00 0.00 C ATOM 1515 CE LYS A 99 -5.693 -31.331 -6.047 1.00 0.00 C ATOM 1516 NZ LYS A 99 -4.975 -32.569 -5.635 1.00 0.00 N ATOM 0 H LYS A 99 -1.980 -28.521 -6.677 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.085 -27.006 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.734 -28.717 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.309 -27.707 -4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.665 -29.541 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.258 -30.550 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.572 -30.379 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.994 -29.294 -5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.768 -31.511 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.441 -31.097 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.062 -33.286 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.970 -32.352 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.391 -32.935 -4.755 1.00 0.00 H new ATOM 1530 N GLY A 100 0.039 -28.887 -4.774 1.00 0.00 N ATOM 1531 CA GLY A 100 1.066 -29.864 -4.489 1.00 0.00 C ATOM 1532 C GLY A 100 1.009 -30.985 -5.496 1.00 0.00 C ATOM 1533 O GLY A 100 1.826 -31.050 -6.416 1.00 0.00 O ATOM 0 H GLY A 100 0.297 -28.191 -5.473 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.047 -29.390 -4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.932 -30.261 -3.483 1.00 0.00 H new ATOM 1537 N SER A 101 0.025 -31.852 -5.330 1.00 0.00 N ATOM 1538 CA SER A 101 -0.267 -32.884 -6.302 1.00 0.00 C ATOM 1539 C SER A 101 -1.780 -33.004 -6.454 1.00 0.00 C ATOM 1540 O SER A 101 -2.332 -32.460 -7.433 1.00 0.00 O ATOM 1541 CB SER A 101 0.343 -34.221 -5.871 1.00 0.00 C ATOM 1542 OG SER A 101 1.743 -34.098 -5.662 1.00 0.00 O ATOM 1543 OXT SER A 101 -2.421 -33.603 -5.570 1.00 0.00 O ATOM 0 H SER A 101 -0.592 -31.858 -4.518 1.00 0.00 H new ATOM 0 HA SER A 101 0.174 -32.615 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.136 -34.565 -4.954 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.150 -34.975 -6.634 1.00 0.00 H new ATOM 0 HG SER A 101 2.110 -34.964 -5.386 1.00 0.00 H new TER 1549 SER A 101