USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 985 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: B -16 HIS : no HD1:sc=-0.00805 X(o=-0.008,f=0) USER MOD Set 1.2: B -17 SER OG : rot 180:sc= 0 USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.6) USER MOD Single : B 2 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0228) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -2 SER OG : rot 180:sc=-0.00116 USER MOD Single : B -9 SER OG : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 158:sc= 0.112 USER MOD Single : B 20 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.1) USER MOD Single : B 22 GLN : amide:sc= -5.02! C(o=-5!,f=-6.8!) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -129:sc= 0.863 USER MOD Single : B 31 ASN : amide:sc= -4.92! K(o=-4.9!,f=-2.1) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -113:sc= 1.36 USER MOD Single : B 42 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.1) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ -154:sc= -0.106 (180deg=-0.767) USER MOD Single : B 56 TYR OH : rot 134:sc= 0.126 USER MOD Single : B 57 SER OG : rot -33:sc= 0.42 USER MOD Single : B 58 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.3!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 SER OG : rot -161:sc= 0.58 USER MOD Single : B 73 THR OG1 : rot 180:sc= -0.203 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 166:sc= -0.0432 (180deg=-0.263) USER MOD Single : B -10 SER OG : rot 180:sc= 0 USER MOD Single : B -11 HIS : no HD1:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : B -12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -18 SER OG : rot 180:sc= -0.0085 USER MOD Single : B -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B -20 MET N :NH3+ 180:sc= -0.421 (180deg=-0.421) USER MOD Single : B 103 SER OG : rot -18:sc= 0.76 USER MOD Single : B 105 SER OG : rot 48:sc= 0.795 USER MOD Single : B 109 GLN : amide:sc= -1.74! X(o=-1.7!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET B -20 41.383 20.502 24.359 1.00 0.00 N ATOM 2 CA MET B -20 41.861 21.327 23.221 1.00 0.00 C ATOM 3 C MET B -20 42.311 20.446 22.061 1.00 0.00 C ATOM 4 O MET B -20 42.261 20.857 20.902 1.00 0.00 O ATOM 5 CB MET B -20 43.017 22.226 23.668 1.00 0.00 C ATOM 6 CG MET B -20 44.201 21.459 24.234 1.00 0.00 C ATOM 7 SD MET B -20 45.546 22.541 24.752 1.00 0.00 S ATOM 8 CE MET B -20 46.741 21.341 25.335 1.00 0.00 C ATOM 0 H1 MET B -20 41.082 21.124 25.136 1.00 0.00 H new ATOM 0 H2 MET B -20 40.579 19.919 24.051 1.00 0.00 H new ATOM 0 H3 MET B -20 42.153 19.885 24.688 1.00 0.00 H new ATOM 0 HA MET B -20 41.032 21.949 22.882 1.00 0.00 H new ATOM 0 HB2 MET B -20 43.353 22.821 22.819 1.00 0.00 H new ATOM 0 HB3 MET B -20 42.653 22.924 24.422 1.00 0.00 H new ATOM 0 HG2 MET B -20 43.870 20.864 25.085 1.00 0.00 H new ATOM 0 HG3 MET B -20 44.570 20.762 23.482 1.00 0.00 H new ATOM 0 HE1 MET B -20 47.633 21.858 25.690 1.00 0.00 H new ATOM 0 HE2 MET B -20 46.308 20.763 26.151 1.00 0.00 H new ATOM 0 HE3 MET B -20 47.011 20.670 24.519 1.00 0.00 H new ATOM 20 N GLY B -19 42.750 19.235 22.380 1.00 0.00 N ATOM 21 CA GLY B -19 43.202 18.315 21.355 1.00 0.00 C ATOM 22 C GLY B -19 43.418 16.913 21.887 1.00 0.00 C ATOM 23 O GLY B -19 43.893 16.734 23.007 1.00 0.00 O ATOM 0 H GLY B -19 42.801 18.873 23.332 1.00 0.00 H new ATOM 0 HA2 GLY B -19 42.469 18.285 20.549 1.00 0.00 H new ATOM 0 HA3 GLY B -19 44.133 18.684 20.925 1.00 0.00 H new ATOM 27 N SER B -18 43.067 15.916 21.081 1.00 0.00 N ATOM 28 CA SER B -18 43.224 14.523 21.475 1.00 0.00 C ATOM 29 C SER B -18 44.610 14.007 21.103 1.00 0.00 C ATOM 30 O SER B -18 45.263 13.332 21.899 1.00 0.00 O ATOM 31 CB SER B -18 42.150 13.660 20.810 1.00 0.00 C ATOM 32 OG SER B -18 42.238 13.734 19.399 1.00 0.00 O ATOM 0 H SER B -18 42.672 16.049 20.150 1.00 0.00 H new ATOM 0 HA SER B -18 43.111 14.461 22.557 1.00 0.00 H new ATOM 0 HB2 SER B -18 42.261 12.624 21.131 1.00 0.00 H new ATOM 0 HB3 SER B -18 41.163 13.989 21.134 1.00 0.00 H new ATOM 0 HG SER B -18 41.542 13.173 18.998 1.00 0.00 H new ATOM 38 N SER B -17 45.049 14.333 19.890 1.00 0.00 N ATOM 39 CA SER B -17 46.358 13.909 19.399 1.00 0.00 C ATOM 40 C SER B -17 46.456 12.388 19.331 1.00 0.00 C ATOM 41 O SER B -17 46.253 11.790 18.274 1.00 0.00 O ATOM 42 CB SER B -17 47.473 14.470 20.285 1.00 0.00 C ATOM 43 OG SER B -17 48.749 14.077 19.810 1.00 0.00 O ATOM 0 H SER B -17 44.514 14.893 19.226 1.00 0.00 H new ATOM 0 HA SER B -17 46.478 14.303 18.390 1.00 0.00 H new ATOM 0 HB2 SER B -17 47.410 15.558 20.309 1.00 0.00 H new ATOM 0 HB3 SER B -17 47.339 14.120 21.309 1.00 0.00 H new ATOM 0 HG SER B -17 49.444 14.449 20.392 1.00 0.00 H new ATOM 49 N HIS B -16 46.768 11.767 20.464 1.00 0.00 N ATOM 50 CA HIS B -16 46.893 10.316 20.531 1.00 0.00 C ATOM 51 C HIS B -16 45.524 9.646 20.475 1.00 0.00 C ATOM 52 O HIS B -16 44.557 10.136 21.058 1.00 0.00 O ATOM 53 CB HIS B -16 47.623 9.905 21.810 1.00 0.00 C ATOM 54 CG HIS B -16 49.003 10.474 21.924 1.00 0.00 C ATOM 55 ND1 HIS B -16 50.142 9.749 21.643 1.00 0.00 N ATOM 56 CD2 HIS B -16 49.426 11.707 22.293 1.00 0.00 C ATOM 57 CE1 HIS B -16 51.204 10.511 21.836 1.00 0.00 C ATOM 58 NE2 HIS B -16 50.798 11.701 22.231 1.00 0.00 N ATOM 0 H HIS B -16 46.939 12.246 21.348 1.00 0.00 H new ATOM 0 HA HIS B -16 47.472 9.987 19.668 1.00 0.00 H new ATOM 0 HB2 HIS B -16 47.036 10.223 22.671 1.00 0.00 H new ATOM 0 HB3 HIS B -16 47.683 8.817 21.850 1.00 0.00 H new ATOM 0 HD2 HIS B -16 48.801 12.539 22.582 1.00 0.00 H new ATOM 0 HE1 HIS B -16 52.231 10.210 21.694 1.00 0.00 H new ATOM 0 HE2 HIS B -16 51.405 12.490 22.455 1.00 0.00 H new ATOM 67 N HIS B -15 45.448 8.522 19.769 1.00 0.00 N ATOM 68 CA HIS B -15 44.200 7.784 19.635 1.00 0.00 C ATOM 69 C HIS B -15 44.248 6.484 20.431 1.00 0.00 C ATOM 70 O HIS B -15 44.984 5.562 20.084 1.00 0.00 O ATOM 71 CB HIS B -15 43.912 7.483 18.163 1.00 0.00 C ATOM 72 CG HIS B -15 43.795 8.708 17.314 1.00 0.00 C ATOM 73 ND1 HIS B -15 42.585 9.272 16.972 1.00 0.00 N ATOM 74 CD2 HIS B -15 44.746 9.476 16.732 1.00 0.00 C ATOM 75 CE1 HIS B -15 42.796 10.335 16.217 1.00 0.00 C ATOM 76 NE2 HIS B -15 44.098 10.481 16.057 1.00 0.00 N ATOM 0 H HIS B -15 46.239 8.103 19.280 1.00 0.00 H new ATOM 0 HA HIS B -15 43.398 8.405 20.034 1.00 0.00 H new ATOM 0 HB2 HIS B -15 44.707 6.851 17.767 1.00 0.00 H new ATOM 0 HB3 HIS B -15 42.986 6.912 18.092 1.00 0.00 H new ATOM 0 HD2 HIS B -15 45.814 9.326 16.788 1.00 0.00 H new ATOM 0 HE1 HIS B -15 42.033 10.976 15.801 1.00 0.00 H new ATOM 0 HE2 HIS B -15 44.550 11.221 15.519 1.00 0.00 H new ATOM 85 N HIS B -14 43.460 6.420 21.498 1.00 0.00 N ATOM 86 CA HIS B -14 43.413 5.233 22.344 1.00 0.00 C ATOM 87 C HIS B -14 42.182 4.390 22.027 1.00 0.00 C ATOM 88 O HIS B -14 41.957 3.349 22.644 1.00 0.00 O ATOM 89 CB HIS B -14 43.405 5.632 23.818 1.00 0.00 C ATOM 90 CG HIS B -14 44.624 6.391 24.240 1.00 0.00 C ATOM 91 ND1 HIS B -14 45.682 5.809 24.906 1.00 0.00 N ATOM 92 CD2 HIS B -14 44.952 7.697 24.088 1.00 0.00 C ATOM 93 CE1 HIS B -14 46.606 6.722 25.147 1.00 0.00 C ATOM 94 NE2 HIS B -14 46.187 7.874 24.660 1.00 0.00 N ATOM 0 H HIS B -14 42.845 7.176 21.798 1.00 0.00 H new ATOM 0 HA HIS B -14 44.303 4.637 22.142 1.00 0.00 H new ATOM 0 HB2 HIS B -14 42.522 6.240 24.016 1.00 0.00 H new ATOM 0 HB3 HIS B -14 43.317 4.733 24.429 1.00 0.00 H new ATOM 0 HD2 HIS B -14 44.354 8.456 23.607 1.00 0.00 H new ATOM 0 HE1 HIS B -14 47.544 6.554 25.656 1.00 0.00 H new ATOM 0 HE2 HIS B -14 46.699 8.755 24.702 1.00 0.00 H new ATOM 103 N HIS B -13 41.391 4.843 21.061 1.00 0.00 N ATOM 104 CA HIS B -13 40.183 4.130 20.663 1.00 0.00 C ATOM 105 C HIS B -13 40.499 3.080 19.604 1.00 0.00 C ATOM 106 O HIS B -13 40.879 3.410 18.483 1.00 0.00 O ATOM 107 CB HIS B -13 39.138 5.111 20.129 1.00 0.00 C ATOM 108 CG HIS B -13 37.849 4.460 19.734 1.00 0.00 C ATOM 109 ND1 HIS B -13 37.508 4.197 18.426 1.00 0.00 N ATOM 110 CD2 HIS B -13 36.812 4.018 20.486 1.00 0.00 C ATOM 111 CE1 HIS B -13 36.318 3.624 18.388 1.00 0.00 C ATOM 112 NE2 HIS B -13 35.876 3.504 19.625 1.00 0.00 N ATOM 0 H HIS B -13 41.565 5.702 20.539 1.00 0.00 H new ATOM 0 HA HIS B -13 39.781 3.626 21.542 1.00 0.00 H new ATOM 0 HB2 HIS B -13 38.936 5.864 20.891 1.00 0.00 H new ATOM 0 HB3 HIS B -13 39.550 5.634 19.266 1.00 0.00 H new ATOM 0 HD2 HIS B -13 36.737 4.062 21.562 1.00 0.00 H new ATOM 0 HE1 HIS B -13 35.796 3.308 17.497 1.00 0.00 H new ATOM 0 HE2 HIS B -13 34.982 3.095 19.897 1.00 0.00 H new ATOM 121 N HIS B -12 40.341 1.812 19.973 1.00 0.00 N ATOM 122 CA HIS B -12 40.607 0.712 19.057 1.00 0.00 C ATOM 123 C HIS B -12 39.342 0.307 18.306 1.00 0.00 C ATOM 124 O HIS B -12 38.269 0.189 18.897 1.00 0.00 O ATOM 125 CB HIS B -12 41.169 -0.489 19.821 1.00 0.00 C ATOM 126 CG HIS B -12 41.509 -1.653 18.943 1.00 0.00 C ATOM 127 ND1 HIS B -12 40.687 -2.749 18.797 1.00 0.00 N ATOM 128 CD2 HIS B -12 42.590 -1.887 18.163 1.00 0.00 C ATOM 129 CE1 HIS B -12 41.247 -3.608 17.967 1.00 0.00 C ATOM 130 NE2 HIS B -12 42.402 -3.109 17.568 1.00 0.00 N ATOM 0 H HIS B -12 40.030 1.523 20.900 1.00 0.00 H new ATOM 0 HA HIS B -12 41.345 1.049 18.329 1.00 0.00 H new ATOM 0 HB2 HIS B -12 42.063 -0.179 20.361 1.00 0.00 H new ATOM 0 HB3 HIS B -12 40.441 -0.808 20.567 1.00 0.00 H new ATOM 0 HD2 HIS B -12 43.441 -1.234 18.033 1.00 0.00 H new ATOM 0 HE1 HIS B -12 40.831 -4.558 17.665 1.00 0.00 H new ATOM 0 HE2 HIS B -12 43.050 -3.559 16.922 1.00 0.00 H new ATOM 139 N HIS B -11 39.479 0.097 17.003 1.00 0.00 N ATOM 140 CA HIS B -11 38.348 -0.296 16.169 1.00 0.00 C ATOM 141 C HIS B -11 38.801 -1.222 15.046 1.00 0.00 C ATOM 142 O HIS B -11 39.767 -0.933 14.341 1.00 0.00 O ATOM 143 CB HIS B -11 37.665 0.941 15.584 1.00 0.00 C ATOM 144 CG HIS B -11 36.444 0.629 14.777 1.00 0.00 C ATOM 145 ND1 HIS B -11 35.171 0.624 15.307 1.00 0.00 N ATOM 146 CD2 HIS B -11 36.302 0.314 13.468 1.00 0.00 C ATOM 147 CE1 HIS B -11 34.302 0.318 14.362 1.00 0.00 C ATOM 148 NE2 HIS B -11 34.962 0.125 13.238 1.00 0.00 N ATOM 0 H HIS B -11 40.361 0.192 16.500 1.00 0.00 H new ATOM 0 HA HIS B -11 37.634 -0.833 16.794 1.00 0.00 H new ATOM 0 HB2 HIS B -11 37.390 1.612 16.398 1.00 0.00 H new ATOM 0 HB3 HIS B -11 38.378 1.476 14.956 1.00 0.00 H new ATOM 0 HD2 HIS B -11 37.095 0.228 12.740 1.00 0.00 H new ATOM 0 HE1 HIS B -11 33.232 0.239 14.488 1.00 0.00 H new ATOM 0 HE2 HIS B -11 34.544 -0.125 12.341 1.00 0.00 H new ATOM 157 N SER B -10 38.095 -2.337 14.886 1.00 0.00 N ATOM 158 CA SER B -10 38.424 -3.306 13.849 1.00 0.00 C ATOM 159 C SER B -10 37.796 -2.911 12.517 1.00 0.00 C ATOM 160 O SER B -10 36.577 -2.779 12.410 1.00 0.00 O ATOM 161 CB SER B -10 37.950 -4.701 14.256 1.00 0.00 C ATOM 162 OG SER B -10 38.259 -5.657 13.259 1.00 0.00 O ATOM 0 H SER B -10 37.292 -2.591 15.461 1.00 0.00 H new ATOM 0 HA SER B -10 39.507 -3.319 13.730 1.00 0.00 H new ATOM 0 HB2 SER B -10 38.420 -4.988 15.197 1.00 0.00 H new ATOM 0 HB3 SER B -10 36.874 -4.686 14.429 1.00 0.00 H new ATOM 0 HG SER B -10 37.947 -6.541 13.545 1.00 0.00 H new ATOM 168 N SER B -9 38.637 -2.726 11.506 1.00 0.00 N ATOM 169 CA SER B -9 38.165 -2.347 10.179 1.00 0.00 C ATOM 170 C SER B -9 38.981 -3.041 9.093 1.00 0.00 C ATOM 171 O SER B -9 40.193 -2.846 8.994 1.00 0.00 O ATOM 172 CB SER B -9 38.246 -0.831 10.002 1.00 0.00 C ATOM 173 OG SER B -9 37.784 -0.442 8.720 1.00 0.00 O ATOM 0 H SER B -9 39.649 -2.832 11.580 1.00 0.00 H new ATOM 0 HA SER B -9 37.126 -2.663 10.085 1.00 0.00 H new ATOM 0 HB2 SER B -9 37.650 -0.340 10.771 1.00 0.00 H new ATOM 0 HB3 SER B -9 39.276 -0.500 10.137 1.00 0.00 H new ATOM 0 HG SER B -9 37.844 0.532 8.632 1.00 0.00 H new ATOM 179 N GLY B -8 38.307 -3.851 8.284 1.00 0.00 N ATOM 180 CA GLY B -8 38.984 -4.562 7.217 1.00 0.00 C ATOM 181 C GLY B -8 38.522 -4.124 5.842 1.00 0.00 C ATOM 182 O GLY B -8 38.168 -2.963 5.641 1.00 0.00 O ATOM 0 H GLY B -8 37.304 -4.027 8.348 1.00 0.00 H new ATOM 0 HA2 GLY B -8 40.059 -4.402 7.303 1.00 0.00 H new ATOM 0 HA3 GLY B -8 38.811 -5.632 7.331 1.00 0.00 H new ATOM 186 N LEU B -7 38.526 -5.055 4.895 1.00 0.00 N ATOM 187 CA LEU B -7 38.105 -4.761 3.531 1.00 0.00 C ATOM 188 C LEU B -7 36.586 -4.799 3.410 1.00 0.00 C ATOM 189 O LEU B -7 35.909 -5.476 4.184 1.00 0.00 O ATOM 190 CB LEU B -7 38.726 -5.758 2.549 1.00 0.00 C ATOM 191 CG LEU B -7 40.241 -5.628 2.351 1.00 0.00 C ATOM 192 CD1 LEU B -7 40.989 -6.042 3.609 1.00 0.00 C ATOM 193 CD2 LEU B -7 40.693 -6.466 1.167 1.00 0.00 C ATOM 0 H LEU B -7 38.817 -6.021 5.047 1.00 0.00 H new ATOM 0 HA LEU B -7 38.450 -3.757 3.285 1.00 0.00 H new ATOM 0 HB2 LEU B -7 38.507 -6.768 2.896 1.00 0.00 H new ATOM 0 HB3 LEU B -7 38.239 -5.641 1.581 1.00 0.00 H new ATOM 0 HG LEU B -7 40.470 -4.582 2.147 1.00 0.00 H new ATOM 0 HD11 LEU B -7 42.062 -5.941 3.444 1.00 0.00 H new ATOM 0 HD12 LEU B -7 40.688 -5.402 4.439 1.00 0.00 H new ATOM 0 HD13 LEU B -7 40.754 -7.079 3.847 1.00 0.00 H new ATOM 0 HD21 LEU B -7 41.771 -6.364 1.039 1.00 0.00 H new ATOM 0 HD22 LEU B -7 40.447 -7.513 1.347 1.00 0.00 H new ATOM 0 HD23 LEU B -7 40.186 -6.124 0.265 1.00 0.00 H new ATOM 205 N VAL B -6 36.055 -4.068 2.436 1.00 0.00 N ATOM 206 CA VAL B -6 34.615 -4.019 2.215 1.00 0.00 C ATOM 207 C VAL B -6 34.275 -4.243 0.742 1.00 0.00 C ATOM 208 O VAL B -6 34.951 -3.714 -0.141 1.00 0.00 O ATOM 209 CB VAL B -6 34.021 -2.674 2.673 1.00 0.00 C ATOM 210 CG1 VAL B -6 34.227 -2.483 4.168 1.00 0.00 C ATOM 211 CG2 VAL B -6 34.635 -1.522 1.893 1.00 0.00 C ATOM 0 H VAL B -6 36.601 -3.501 1.787 1.00 0.00 H new ATOM 0 HA VAL B -6 34.176 -4.820 2.810 1.00 0.00 H new ATOM 0 HB VAL B -6 32.950 -2.685 2.473 1.00 0.00 H new ATOM 0 HG11 VAL B -6 33.801 -1.528 4.475 1.00 0.00 H new ATOM 0 HG12 VAL B -6 33.734 -3.290 4.709 1.00 0.00 H new ATOM 0 HG13 VAL B -6 35.294 -2.494 4.393 1.00 0.00 H new ATOM 0 HG21 VAL B -6 34.202 -0.581 2.232 1.00 0.00 H new ATOM 0 HG22 VAL B -6 35.712 -1.505 2.057 1.00 0.00 H new ATOM 0 HG23 VAL B -6 34.432 -1.653 0.830 1.00 0.00 H new ATOM 221 N PRO B -5 33.223 -5.034 0.456 1.00 0.00 N ATOM 222 CA PRO B -5 32.799 -5.320 -0.917 1.00 0.00 C ATOM 223 C PRO B -5 32.123 -4.119 -1.569 1.00 0.00 C ATOM 224 O PRO B -5 32.159 -3.010 -1.038 1.00 0.00 O ATOM 225 CB PRO B -5 31.796 -6.474 -0.767 1.00 0.00 C ATOM 226 CG PRO B -5 31.877 -6.905 0.660 1.00 0.00 C ATOM 227 CD PRO B -5 32.368 -5.718 1.433 1.00 0.00 C ATOM 0 HA PRO B -5 33.648 -5.564 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO B -5 30.787 -6.149 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO B -5 32.044 -7.296 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO B -5 30.902 -7.229 1.024 1.00 0.00 H new ATOM 0 HG3 PRO B -5 32.556 -7.750 0.773 1.00 0.00 H new ATOM 0 HD2 PRO B -5 31.547 -5.084 1.768 1.00 0.00 H new ATOM 0 HD3 PRO B -5 32.925 -6.015 2.322 1.00 0.00 H new ATOM 235 N ARG B -4 31.508 -4.349 -2.724 1.00 0.00 N ATOM 236 CA ARG B -4 30.821 -3.286 -3.448 1.00 0.00 C ATOM 237 C ARG B -4 29.394 -3.114 -2.935 1.00 0.00 C ATOM 238 O ARG B -4 28.922 -1.993 -2.754 1.00 0.00 O ATOM 239 CB ARG B -4 30.805 -3.587 -4.949 1.00 0.00 C ATOM 240 CG ARG B -4 30.178 -4.926 -5.296 1.00 0.00 C ATOM 241 CD ARG B -4 30.192 -5.175 -6.795 1.00 0.00 C ATOM 242 NE ARG B -4 31.549 -5.181 -7.336 1.00 0.00 N ATOM 243 CZ ARG B -4 31.834 -5.438 -8.606 1.00 0.00 C ATOM 244 NH1 ARG B -4 30.862 -5.711 -9.466 1.00 0.00 N ATOM 245 NH2 ARG B -4 33.093 -5.424 -9.021 1.00 0.00 N ATOM 0 H ARG B -4 31.471 -5.261 -3.179 1.00 0.00 H new ATOM 0 HA ARG B -4 31.364 -2.356 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG B -4 30.259 -2.796 -5.463 1.00 0.00 H new ATOM 0 HB3 ARG B -4 31.828 -3.566 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG B -4 30.719 -5.725 -4.788 1.00 0.00 H new ATOM 0 HG3 ARG B -4 29.151 -4.954 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG B -4 29.712 -6.130 -7.008 1.00 0.00 H new ATOM 0 HD3 ARG B -4 29.605 -4.405 -7.296 1.00 0.00 H new ATOM 0 HE ARG B -4 32.321 -4.976 -6.702 1.00 0.00 H new ATOM 0 HH11 ARG B -4 29.892 -5.724 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG B -4 31.085 -5.908 -10.442 1.00 0.00 H new ATOM 0 HH21 ARG B -4 33.844 -5.215 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG B -4 33.310 -5.622 -9.998 1.00 0.00 H new ATOM 259 N GLY B -3 28.717 -4.234 -2.698 1.00 0.00 N ATOM 260 CA GLY B -3 27.352 -4.190 -2.204 1.00 0.00 C ATOM 261 C GLY B -3 26.427 -3.409 -3.117 1.00 0.00 C ATOM 262 O GLY B -3 26.743 -3.176 -4.282 1.00 0.00 O ATOM 0 H GLY B -3 29.090 -5.173 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY B -3 26.976 -5.207 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY B -3 27.343 -3.739 -1.212 1.00 0.00 H new ATOM 266 N SER B -2 25.278 -3.006 -2.581 1.00 0.00 N ATOM 267 CA SER B -2 24.299 -2.246 -3.349 1.00 0.00 C ATOM 268 C SER B -2 23.523 -1.296 -2.446 1.00 0.00 C ATOM 269 O SER B -2 22.705 -1.728 -1.634 1.00 0.00 O ATOM 270 CB SER B -2 23.334 -3.192 -4.064 1.00 0.00 C ATOM 271 OG SER B -2 24.024 -4.049 -4.956 1.00 0.00 O ATOM 0 H SER B -2 25.003 -3.194 -1.617 1.00 0.00 H new ATOM 0 HA SER B -2 24.835 -1.657 -4.093 1.00 0.00 H new ATOM 0 HB2 SER B -2 22.793 -3.788 -3.329 1.00 0.00 H new ATOM 0 HB3 SER B -2 22.592 -2.612 -4.613 1.00 0.00 H new ATOM 0 HG SER B -2 23.384 -4.644 -5.399 1.00 0.00 H new ATOM 277 N HIS B -1 23.785 -0.003 -2.593 1.00 0.00 N ATOM 278 CA HIS B -1 23.113 1.009 -1.789 1.00 0.00 C ATOM 279 C HIS B -1 22.210 1.881 -2.653 1.00 0.00 C ATOM 280 O HIS B -1 22.688 2.664 -3.474 1.00 0.00 O ATOM 281 CB HIS B -1 24.141 1.879 -1.063 1.00 0.00 C ATOM 282 CG HIS B -1 23.531 2.905 -0.164 1.00 0.00 C ATOM 283 ND1 HIS B -1 23.430 4.238 -0.502 1.00 0.00 N ATOM 284 CD2 HIS B -1 22.988 2.791 1.071 1.00 0.00 C ATOM 285 CE1 HIS B -1 22.854 4.899 0.486 1.00 0.00 C ATOM 286 NE2 HIS B -1 22.574 4.042 1.450 1.00 0.00 N ATOM 0 H HIS B -1 24.459 0.369 -3.262 1.00 0.00 H new ATOM 0 HA HIS B -1 22.494 0.498 -1.051 1.00 0.00 H new ATOM 0 HB2 HIS B -1 24.797 1.237 -0.475 1.00 0.00 H new ATOM 0 HB3 HIS B -1 24.766 2.381 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS B -1 22.898 1.884 1.650 1.00 0.00 H new ATOM 0 HE1 HIS B -1 22.648 5.959 0.502 1.00 0.00 H new ATOM 0 HE2 HIS B -1 22.122 4.273 2.335 1.00 0.00 H new ATOM 295 N MET B 0 20.901 1.740 -2.463 1.00 0.00 N ATOM 296 CA MET B 0 19.928 2.515 -3.223 1.00 0.00 C ATOM 297 C MET B 0 18.881 3.125 -2.297 1.00 0.00 C ATOM 298 O MET B 0 18.791 4.344 -2.166 1.00 0.00 O ATOM 299 CB MET B 0 19.249 1.634 -4.273 1.00 0.00 C ATOM 300 CG MET B 0 20.212 1.056 -5.294 1.00 0.00 C ATOM 301 SD MET B 0 19.385 0.045 -6.535 1.00 0.00 S ATOM 302 CE MET B 0 20.775 -0.447 -7.550 1.00 0.00 C ATOM 0 H MET B 0 20.490 1.095 -1.788 1.00 0.00 H new ATOM 0 HA MET B 0 20.457 3.323 -3.728 1.00 0.00 H new ATOM 0 HB2 MET B 0 18.732 0.817 -3.770 1.00 0.00 H new ATOM 0 HB3 MET B 0 18.491 2.220 -4.792 1.00 0.00 H new ATOM 0 HG2 MET B 0 20.742 1.870 -5.789 1.00 0.00 H new ATOM 0 HG3 MET B 0 20.961 0.453 -4.780 1.00 0.00 H new ATOM 0 HE1 MET B 0 20.424 -1.080 -8.365 1.00 0.00 H new ATOM 0 HE2 MET B 0 21.257 0.440 -7.961 1.00 0.00 H new ATOM 0 HE3 MET B 0 21.491 -1.001 -6.943 1.00 0.00 H new ATOM 312 N GLN B 1 18.094 2.267 -1.657 1.00 0.00 N ATOM 313 CA GLN B 1 17.056 2.721 -0.739 1.00 0.00 C ATOM 314 C GLN B 1 17.299 2.155 0.659 1.00 0.00 C ATOM 315 O GLN B 1 18.444 2.076 1.107 1.00 0.00 O ATOM 316 CB GLN B 1 15.674 2.309 -1.256 1.00 0.00 C ATOM 317 CG GLN B 1 14.552 3.215 -0.784 1.00 0.00 C ATOM 318 CD GLN B 1 14.783 4.669 -1.143 1.00 0.00 C ATOM 319 OE1 GLN B 1 15.414 4.980 -2.152 1.00 0.00 O ATOM 320 NE2 GLN B 1 14.268 5.570 -0.317 1.00 0.00 N ATOM 0 H GLN B 1 18.155 1.254 -1.757 1.00 0.00 H new ATOM 0 HA GLN B 1 17.092 3.809 -0.680 1.00 0.00 H new ATOM 0 HB2 GLN B 1 15.690 2.303 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN B 1 15.465 1.289 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN B 1 13.612 2.882 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN B 1 14.448 3.124 0.297 1.00 0.00 H new ATOM 0 HE21 GLN B 1 13.751 5.268 0.509 1.00 0.00 H new ATOM 0 HE22 GLN B 1 14.389 6.565 -0.508 1.00 0.00 H new ATOM 329 N LYS B 2 16.230 1.762 1.350 1.00 0.00 N ATOM 330 CA LYS B 2 16.359 1.218 2.696 1.00 0.00 C ATOM 331 C LYS B 2 15.969 -0.246 2.751 1.00 0.00 C ATOM 332 O LYS B 2 14.984 -0.661 2.145 1.00 0.00 O ATOM 333 CB LYS B 2 15.511 2.018 3.687 1.00 0.00 C ATOM 334 CG LYS B 2 16.019 3.430 3.921 1.00 0.00 C ATOM 335 CD LYS B 2 15.673 4.351 2.764 1.00 0.00 C ATOM 336 CE LYS B 2 16.686 5.471 2.628 1.00 0.00 C ATOM 337 NZ LYS B 2 16.726 6.336 3.838 1.00 0.00 N ATOM 0 H LYS B 2 15.273 1.810 1.001 1.00 0.00 H new ATOM 0 HA LYS B 2 17.409 1.299 2.976 1.00 0.00 H new ATOM 0 HB2 LYS B 2 14.486 2.066 3.319 1.00 0.00 H new ATOM 0 HB3 LYS B 2 15.484 1.488 4.639 1.00 0.00 H new ATOM 0 HG2 LYS B 2 15.588 3.824 4.841 1.00 0.00 H new ATOM 0 HG3 LYS B 2 17.100 3.410 4.059 1.00 0.00 H new ATOM 0 HD2 LYS B 2 15.636 3.777 1.838 1.00 0.00 H new ATOM 0 HD3 LYS B 2 14.680 4.773 2.917 1.00 0.00 H new ATOM 0 HE2 LYS B 2 17.675 5.046 2.453 1.00 0.00 H new ATOM 0 HE3 LYS B 2 16.441 6.078 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 17.355 7.146 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 15.768 6.681 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 17.083 5.787 4.646 1.00 0.00 H new ATOM 351 N PRO B 3 16.751 -1.051 3.493 1.00 0.00 N ATOM 352 CA PRO B 3 16.483 -2.474 3.656 1.00 0.00 C ATOM 353 C PRO B 3 15.082 -2.679 4.178 1.00 0.00 C ATOM 354 O PRO B 3 14.509 -3.758 4.072 1.00 0.00 O ATOM 355 CB PRO B 3 17.532 -2.910 4.679 1.00 0.00 C ATOM 356 CG PRO B 3 18.634 -1.933 4.510 1.00 0.00 C ATOM 357 CD PRO B 3 17.943 -0.638 4.249 1.00 0.00 C ATOM 0 HA PRO B 3 16.543 -3.044 2.729 1.00 0.00 H new ATOM 0 HB2 PRO B 3 17.133 -2.888 5.693 1.00 0.00 H new ATOM 0 HB3 PRO B 3 17.871 -3.929 4.492 1.00 0.00 H new ATOM 0 HG2 PRO B 3 19.257 -1.878 5.403 1.00 0.00 H new ATOM 0 HG3 PRO B 3 19.287 -2.209 3.682 1.00 0.00 H new ATOM 0 HD2 PRO B 3 17.678 -0.127 5.175 1.00 0.00 H new ATOM 0 HD3 PRO B 3 18.569 0.046 3.676 1.00 0.00 H new ATOM 365 N VAL B 4 14.561 -1.605 4.753 1.00 0.00 N ATOM 366 CA VAL B 4 13.213 -1.567 5.294 1.00 0.00 C ATOM 367 C VAL B 4 12.712 -0.124 5.346 1.00 0.00 C ATOM 368 O VAL B 4 12.616 0.467 6.421 1.00 0.00 O ATOM 369 CB VAL B 4 13.107 -2.159 6.709 1.00 0.00 C ATOM 370 CG1 VAL B 4 11.649 -2.420 7.024 1.00 0.00 C ATOM 371 CG2 VAL B 4 13.927 -3.432 6.857 1.00 0.00 C ATOM 0 H VAL B 4 15.069 -0.727 4.857 1.00 0.00 H new ATOM 0 HA VAL B 4 12.605 -2.178 4.627 1.00 0.00 H new ATOM 0 HB VAL B 4 13.516 -1.439 7.418 1.00 0.00 H new ATOM 0 HG11 VAL B 4 11.563 -2.840 8.026 1.00 0.00 H new ATOM 0 HG12 VAL B 4 11.093 -1.484 6.974 1.00 0.00 H new ATOM 0 HG13 VAL B 4 11.240 -3.124 6.299 1.00 0.00 H new ATOM 0 HG21 VAL B 4 13.823 -3.816 7.872 1.00 0.00 H new ATOM 0 HG22 VAL B 4 13.570 -4.179 6.148 1.00 0.00 H new ATOM 0 HG23 VAL B 4 14.976 -3.214 6.657 1.00 0.00 H new ATOM 381 N VAL B 5 12.408 0.440 4.181 1.00 0.00 N ATOM 382 CA VAL B 5 11.919 1.814 4.097 1.00 0.00 C ATOM 383 C VAL B 5 10.770 2.051 5.077 1.00 0.00 C ATOM 384 O VAL B 5 10.060 1.119 5.448 1.00 0.00 O ATOM 385 CB VAL B 5 11.451 2.148 2.666 1.00 0.00 C ATOM 386 CG1 VAL B 5 10.962 3.586 2.578 1.00 0.00 C ATOM 387 CG2 VAL B 5 12.570 1.901 1.667 1.00 0.00 C ATOM 0 H VAL B 5 12.491 -0.033 3.281 1.00 0.00 H new ATOM 0 HA VAL B 5 12.749 2.469 4.361 1.00 0.00 H new ATOM 0 HB VAL B 5 10.617 1.491 2.419 1.00 0.00 H new ATOM 0 HG11 VAL B 5 10.637 3.798 1.559 1.00 0.00 H new ATOM 0 HG12 VAL B 5 10.126 3.729 3.263 1.00 0.00 H new ATOM 0 HG13 VAL B 5 11.772 4.263 2.849 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.221 2.142 0.663 1.00 0.00 H new ATOM 0 HG22 VAL B 5 13.425 2.530 1.915 1.00 0.00 H new ATOM 0 HG23 VAL B 5 12.868 0.853 1.706 1.00 0.00 H new ATOM 397 N THR B 6 10.600 3.297 5.505 1.00 0.00 N ATOM 398 CA THR B 6 9.540 3.641 6.437 1.00 0.00 C ATOM 399 C THR B 6 8.650 4.748 5.878 1.00 0.00 C ATOM 400 O THR B 6 9.020 5.437 4.929 1.00 0.00 O ATOM 401 CB THR B 6 10.124 4.096 7.783 1.00 0.00 C ATOM 402 OG1 THR B 6 11.232 3.266 8.144 1.00 0.00 O ATOM 403 CG2 THR B 6 9.068 4.031 8.867 1.00 0.00 C ATOM 0 H THR B 6 11.184 4.083 5.220 1.00 0.00 H new ATOM 0 HA THR B 6 8.938 2.745 6.587 1.00 0.00 H new ATOM 0 HB THR B 6 10.464 5.127 7.680 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.599 3.565 9.002 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.498 4.357 9.814 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.235 4.683 8.603 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.709 3.006 8.965 1.00 0.00 H new ATOM 411 N LEU B 7 7.473 4.911 6.478 1.00 0.00 N ATOM 412 CA LEU B 7 6.526 5.934 6.048 1.00 0.00 C ATOM 413 C LEU B 7 5.975 6.693 7.252 1.00 0.00 C ATOM 414 O LEU B 7 5.500 6.089 8.213 1.00 0.00 O ATOM 415 CB LEU B 7 5.369 5.295 5.271 1.00 0.00 C ATOM 416 CG LEU B 7 4.711 6.179 4.200 1.00 0.00 C ATOM 417 CD1 LEU B 7 3.427 5.535 3.702 1.00 0.00 C ATOM 418 CD2 LEU B 7 4.427 7.574 4.731 1.00 0.00 C ATOM 0 H LEU B 7 7.153 4.346 7.265 1.00 0.00 H new ATOM 0 HA LEU B 7 7.052 6.633 5.398 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.736 4.388 4.791 1.00 0.00 H new ATOM 0 HB3 LEU B 7 4.603 4.990 5.984 1.00 0.00 H new ATOM 0 HG LEU B 7 5.409 6.272 3.368 1.00 0.00 H new ATOM 0 HD11 LEU B 7 2.971 6.172 2.944 1.00 0.00 H new ATOM 0 HD12 LEU B 7 3.653 4.560 3.270 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.735 5.411 4.535 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.962 8.173 3.948 1.00 0.00 H new ATOM 0 HD22 LEU B 7 3.754 7.508 5.586 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.361 8.043 5.040 1.00 0.00 H new ATOM 430 N ASP B 8 6.044 8.017 7.191 1.00 0.00 N ATOM 431 CA ASP B 8 5.544 8.858 8.270 1.00 0.00 C ATOM 432 C ASP B 8 4.818 10.080 7.713 1.00 0.00 C ATOM 433 O ASP B 8 4.181 10.827 8.455 1.00 0.00 O ATOM 434 CB ASP B 8 6.699 9.292 9.177 1.00 0.00 C ATOM 435 CG ASP B 8 6.235 10.150 10.337 1.00 0.00 C ATOM 436 OD1 ASP B 8 6.230 11.390 10.192 1.00 0.00 O ATOM 437 OD2 ASP B 8 5.876 9.583 11.388 1.00 0.00 O ATOM 0 H ASP B 8 6.442 8.531 6.405 1.00 0.00 H new ATOM 0 HA ASP B 8 4.832 8.278 8.858 1.00 0.00 H new ATOM 0 HB2 ASP B 8 7.205 8.407 9.563 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.430 9.847 8.589 1.00 0.00 H new ATOM 442 N ASP B 9 4.913 10.271 6.402 1.00 0.00 N ATOM 443 CA ASP B 9 4.262 11.393 5.739 1.00 0.00 C ATOM 444 C ASP B 9 3.447 10.909 4.542 1.00 0.00 C ATOM 445 O ASP B 9 4.001 10.414 3.563 1.00 0.00 O ATOM 446 CB ASP B 9 5.303 12.419 5.288 1.00 0.00 C ATOM 447 CG ASP B 9 4.673 13.654 4.676 1.00 0.00 C ATOM 448 OD1 ASP B 9 4.134 14.483 5.435 1.00 0.00 O ATOM 449 OD2 ASP B 9 4.724 13.793 3.439 1.00 0.00 O ATOM 0 H ASP B 9 5.437 9.660 5.776 1.00 0.00 H new ATOM 0 HA ASP B 9 3.585 11.868 6.450 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.914 12.712 6.142 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.972 11.958 4.561 1.00 0.00 H new ATOM 454 N ALA B 10 2.126 11.058 4.630 1.00 0.00 N ATOM 455 CA ALA B 10 1.231 10.625 3.563 1.00 0.00 C ATOM 456 C ALA B 10 1.359 11.505 2.323 1.00 0.00 C ATOM 457 O ALA B 10 0.681 11.275 1.321 1.00 0.00 O ATOM 458 CB ALA B 10 -0.208 10.618 4.056 1.00 0.00 C ATOM 0 H ALA B 10 1.653 11.476 5.431 1.00 0.00 H new ATOM 0 HA ALA B 10 1.520 9.613 3.280 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -0.867 10.293 3.251 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -0.300 9.933 4.899 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.489 11.623 4.372 1.00 0.00 H new ATOM 464 N ASP B 11 2.225 12.509 2.393 1.00 0.00 N ATOM 465 CA ASP B 11 2.433 13.416 1.270 1.00 0.00 C ATOM 466 C ASP B 11 3.774 13.146 0.596 1.00 0.00 C ATOM 467 O ASP B 11 4.084 13.725 -0.445 1.00 0.00 O ATOM 468 CB ASP B 11 2.372 14.865 1.743 1.00 0.00 C ATOM 469 CG ASP B 11 2.404 15.853 0.593 1.00 0.00 C ATOM 470 OD1 ASP B 11 1.324 16.168 0.052 1.00 0.00 O ATOM 471 OD2 ASP B 11 3.509 16.312 0.236 1.00 0.00 O ATOM 0 H ASP B 11 2.794 12.716 3.214 1.00 0.00 H new ATOM 0 HA ASP B 11 1.639 13.244 0.543 1.00 0.00 H new ATOM 0 HB2 ASP B 11 1.461 15.017 2.323 1.00 0.00 H new ATOM 0 HB3 ASP B 11 3.211 15.062 2.410 1.00 0.00 H new ATOM 476 N ASP B 12 4.564 12.262 1.195 1.00 0.00 N ATOM 477 CA ASP B 12 5.873 11.917 0.656 1.00 0.00 C ATOM 478 C ASP B 12 5.743 10.914 -0.487 1.00 0.00 C ATOM 479 O ASP B 12 6.732 10.334 -0.933 1.00 0.00 O ATOM 480 CB ASP B 12 6.763 11.341 1.761 1.00 0.00 C ATOM 481 CG ASP B 12 8.199 11.156 1.318 1.00 0.00 C ATOM 482 OD1 ASP B 12 8.573 10.015 0.977 1.00 0.00 O ATOM 483 OD2 ASP B 12 8.952 12.153 1.311 1.00 0.00 O ATOM 0 H ASP B 12 4.320 11.771 2.055 1.00 0.00 H new ATOM 0 HA ASP B 12 6.332 12.825 0.265 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.736 12.004 2.626 1.00 0.00 H new ATOM 0 HB3 ASP B 12 6.360 10.381 2.083 1.00 0.00 H new ATOM 488 N CYS B 13 4.515 10.721 -0.963 1.00 0.00 N ATOM 489 CA CYS B 13 4.263 9.786 -2.054 1.00 0.00 C ATOM 490 C CYS B 13 5.045 10.182 -3.301 1.00 0.00 C ATOM 491 O CYS B 13 5.207 11.366 -3.592 1.00 0.00 O ATOM 492 CB CYS B 13 2.770 9.736 -2.388 1.00 0.00 C ATOM 493 SG CYS B 13 1.679 9.429 -0.961 1.00 0.00 S ATOM 0 H CYS B 13 3.684 11.197 -0.612 1.00 0.00 H new ATOM 0 HA CYS B 13 4.592 8.800 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS B 13 2.483 10.681 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS B 13 2.604 8.955 -3.130 1.00 0.00 H new ATOM 498 N SER B 14 5.520 9.180 -4.035 1.00 0.00 N ATOM 499 CA SER B 14 6.284 9.414 -5.255 1.00 0.00 C ATOM 500 C SER B 14 6.655 8.092 -5.921 1.00 0.00 C ATOM 501 O SER B 14 7.037 7.143 -5.240 1.00 0.00 O ATOM 502 CB SER B 14 7.551 10.209 -4.950 1.00 0.00 C ATOM 503 OG SER B 14 8.252 10.529 -6.138 1.00 0.00 O ATOM 0 H SER B 14 5.388 8.195 -3.805 1.00 0.00 H new ATOM 0 HA SER B 14 5.659 9.990 -5.938 1.00 0.00 H new ATOM 0 HB2 SER B 14 7.290 11.125 -4.420 1.00 0.00 H new ATOM 0 HB3 SER B 14 8.196 9.631 -4.288 1.00 0.00 H new ATOM 0 HG SER B 14 9.058 11.039 -5.915 1.00 0.00 H new ATOM 509 N PRO B 15 6.548 8.011 -7.261 1.00 0.00 N ATOM 510 CA PRO B 15 6.890 6.794 -8.001 1.00 0.00 C ATOM 511 C PRO B 15 8.370 6.452 -7.865 1.00 0.00 C ATOM 512 O PRO B 15 9.173 6.755 -8.746 1.00 0.00 O ATOM 513 CB PRO B 15 6.548 7.137 -9.456 1.00 0.00 C ATOM 514 CG PRO B 15 5.659 8.331 -9.382 1.00 0.00 C ATOM 515 CD PRO B 15 6.083 9.082 -8.155 1.00 0.00 C ATOM 0 HA PRO B 15 6.351 5.923 -7.629 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.449 7.353 -10.031 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.047 6.304 -9.949 1.00 0.00 H new ATOM 0 HG2 PRO B 15 5.761 8.950 -10.274 1.00 0.00 H new ATOM 0 HG3 PRO B 15 4.612 8.035 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.875 9.799 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.257 9.643 -7.718 1.00 0.00 H new ATOM 523 N LEU B 16 8.724 5.828 -6.748 1.00 0.00 N ATOM 524 CA LEU B 16 10.102 5.458 -6.482 1.00 0.00 C ATOM 525 C LEU B 16 10.421 4.068 -7.009 1.00 0.00 C ATOM 526 O LEU B 16 9.523 3.267 -7.268 1.00 0.00 O ATOM 527 CB LEU B 16 10.367 5.513 -4.979 1.00 0.00 C ATOM 528 CG LEU B 16 11.813 5.247 -4.569 1.00 0.00 C ATOM 529 CD1 LEU B 16 12.731 6.257 -5.232 1.00 0.00 C ATOM 530 CD2 LEU B 16 11.956 5.297 -3.058 1.00 0.00 C ATOM 0 H LEU B 16 8.069 5.568 -6.010 1.00 0.00 H new ATOM 0 HA LEU B 16 10.747 6.168 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.075 6.496 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU B 16 9.725 4.784 -4.485 1.00 0.00 H new ATOM 0 HG LEU B 16 12.097 4.248 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU B 16 13.762 6.062 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.643 6.173 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.449 7.263 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.993 5.105 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.662 6.283 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.316 4.539 -2.607 1.00 0.00 H new ATOM 542 N LYS B 17 11.709 3.791 -7.170 1.00 0.00 N ATOM 543 CA LYS B 17 12.160 2.495 -7.655 1.00 0.00 C ATOM 544 C LYS B 17 12.904 1.743 -6.565 1.00 0.00 C ATOM 545 O LYS B 17 13.794 2.289 -5.911 1.00 0.00 O ATOM 546 CB LYS B 17 13.053 2.654 -8.880 1.00 0.00 C ATOM 547 CG LYS B 17 12.285 2.638 -10.188 1.00 0.00 C ATOM 548 CD LYS B 17 11.578 3.959 -10.438 1.00 0.00 C ATOM 549 CE LYS B 17 10.812 3.942 -11.751 1.00 0.00 C ATOM 550 NZ LYS B 17 10.123 5.235 -12.010 1.00 0.00 N ATOM 0 H LYS B 17 12.461 4.450 -6.971 1.00 0.00 H new ATOM 0 HA LYS B 17 11.279 1.920 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS B 17 13.603 3.592 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.791 1.852 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.970 2.430 -11.010 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.553 1.831 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS B 17 10.891 4.166 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS B 17 12.309 4.767 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS B 17 11.499 3.727 -12.569 1.00 0.00 H new ATOM 0 HE3 LYS B 17 10.077 3.137 -11.732 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 9.613 5.181 -12.915 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 9.448 5.429 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 10.826 6.000 -12.054 1.00 0.00 H new ATOM 564 N LEU B 18 12.535 0.485 -6.377 1.00 0.00 N ATOM 565 CA LEU B 18 13.154 -0.352 -5.366 1.00 0.00 C ATOM 566 C LEU B 18 13.915 -1.503 -6.010 1.00 0.00 C ATOM 567 O LEU B 18 14.143 -1.510 -7.219 1.00 0.00 O ATOM 568 CB LEU B 18 12.085 -0.894 -4.418 1.00 0.00 C ATOM 569 CG LEU B 18 11.713 0.020 -3.258 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.180 1.351 -3.762 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.698 -0.656 -2.352 1.00 0.00 C ATOM 0 H LEU B 18 11.804 0.021 -6.917 1.00 0.00 H new ATOM 0 HA LEU B 18 13.863 0.252 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.185 -1.104 -4.996 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.432 -1.844 -4.012 1.00 0.00 H new ATOM 0 HG LEU B 18 12.615 0.217 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.922 1.984 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.943 1.844 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.292 1.180 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.444 0.012 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.798 -0.888 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 18 11.123 -1.578 -1.954 1.00 0.00 H new ATOM 583 N THR B 19 14.308 -2.475 -5.196 1.00 0.00 N ATOM 584 CA THR B 19 15.037 -3.632 -5.681 1.00 0.00 C ATOM 585 C THR B 19 14.826 -4.823 -4.762 1.00 0.00 C ATOM 586 O THR B 19 14.711 -4.673 -3.546 1.00 0.00 O ATOM 587 CB THR B 19 16.547 -3.349 -5.790 1.00 0.00 C ATOM 588 OG1 THR B 19 16.767 -2.101 -6.454 1.00 0.00 O ATOM 589 CG2 THR B 19 17.251 -4.460 -6.553 1.00 0.00 C ATOM 0 H THR B 19 14.131 -2.481 -4.192 1.00 0.00 H new ATOM 0 HA THR B 19 14.649 -3.857 -6.674 1.00 0.00 H new ATOM 0 HB THR B 19 16.957 -3.302 -4.781 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.655 -1.759 -6.221 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.316 -4.239 -6.617 1.00 0.00 H new ATOM 0 HG22 THR B 19 17.108 -5.407 -6.032 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.834 -4.532 -7.557 1.00 0.00 H new ATOM 597 N GLN B 20 14.772 -6.004 -5.353 1.00 0.00 N ATOM 598 CA GLN B 20 14.574 -7.234 -4.596 1.00 0.00 C ATOM 599 C GLN B 20 15.650 -7.392 -3.529 1.00 0.00 C ATOM 600 O GLN B 20 16.774 -7.801 -3.819 1.00 0.00 O ATOM 601 CB GLN B 20 14.577 -8.440 -5.533 1.00 0.00 C ATOM 602 CG GLN B 20 13.402 -8.457 -6.498 1.00 0.00 C ATOM 603 CD GLN B 20 13.501 -9.565 -7.526 1.00 0.00 C ATOM 604 OE1 GLN B 20 14.070 -10.622 -7.263 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.944 -9.326 -8.706 1.00 0.00 N ATOM 0 H GLN B 20 14.863 -6.140 -6.360 1.00 0.00 H new ATOM 0 HA GLN B 20 13.605 -7.177 -4.100 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.506 -8.446 -6.103 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.562 -9.353 -4.938 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.477 -8.573 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.345 -7.497 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.482 -8.434 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.978 -10.035 -9.439 1.00 0.00 H new ATOM 614 N GLY B 21 15.296 -7.058 -2.292 1.00 0.00 N ATOM 615 CA GLY B 21 16.237 -7.160 -1.195 1.00 0.00 C ATOM 616 C GLY B 21 15.964 -6.150 -0.100 1.00 0.00 C ATOM 617 O GLY B 21 16.571 -6.205 0.969 1.00 0.00 O ATOM 0 H GLY B 21 14.371 -6.718 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY B 21 16.194 -8.165 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.249 -7.015 -1.574 1.00 0.00 H new ATOM 621 N GLN B 22 15.050 -5.223 -0.367 1.00 0.00 N ATOM 622 CA GLN B 22 14.691 -4.202 0.596 1.00 0.00 C ATOM 623 C GLN B 22 13.347 -4.529 1.227 1.00 0.00 C ATOM 624 O GLN B 22 12.729 -5.542 0.900 1.00 0.00 O ATOM 625 CB GLN B 22 14.630 -2.835 -0.082 1.00 0.00 C ATOM 626 CG GLN B 22 15.901 -2.475 -0.834 1.00 0.00 C ATOM 627 CD GLN B 22 15.846 -1.089 -1.447 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.871 -0.429 -1.603 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.645 -0.643 -1.797 1.00 0.00 N ATOM 0 H GLN B 22 14.544 -5.163 -1.251 1.00 0.00 H new ATOM 0 HA GLN B 22 15.452 -4.174 1.376 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.790 -2.819 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN B 22 14.435 -2.072 0.672 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.750 -2.533 -0.153 1.00 0.00 H new ATOM 0 HG3 GLN B 22 16.073 -3.209 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.821 -1.226 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.546 0.283 -2.214 1.00 0.00 H new ATOM 638 N GLU B 23 12.893 -3.666 2.120 1.00 0.00 N ATOM 639 CA GLU B 23 11.613 -3.884 2.799 1.00 0.00 C ATOM 640 C GLU B 23 10.913 -2.570 3.102 1.00 0.00 C ATOM 641 O GLU B 23 11.339 -1.508 2.651 1.00 0.00 O ATOM 642 CB GLU B 23 11.819 -4.652 4.108 1.00 0.00 C ATOM 643 CG GLU B 23 12.378 -6.049 3.922 1.00 0.00 C ATOM 644 CD GLU B 23 12.894 -6.648 5.213 1.00 0.00 C ATOM 645 OE1 GLU B 23 14.048 -6.353 5.585 1.00 0.00 O ATOM 646 OE2 GLU B 23 12.146 -7.417 5.850 1.00 0.00 O ATOM 0 H GLU B 23 13.381 -2.814 2.395 1.00 0.00 H new ATOM 0 HA GLU B 23 10.988 -4.469 2.124 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.494 -4.084 4.748 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.865 -4.720 4.631 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.602 -6.695 3.511 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.187 -6.018 3.192 1.00 0.00 H new ATOM 653 N LEU B 24 9.829 -2.653 3.868 1.00 0.00 N ATOM 654 CA LEU B 24 9.081 -1.464 4.252 1.00 0.00 C ATOM 655 C LEU B 24 8.083 -1.767 5.362 1.00 0.00 C ATOM 656 O LEU B 24 7.355 -2.761 5.310 1.00 0.00 O ATOM 657 CB LEU B 24 8.361 -0.866 3.045 1.00 0.00 C ATOM 658 CG LEU B 24 8.079 0.631 3.156 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.953 1.256 1.776 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.827 0.888 3.980 1.00 0.00 C ATOM 0 H LEU B 24 9.452 -3.528 4.233 1.00 0.00 H new ATOM 0 HA LEU B 24 9.797 -0.735 4.632 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.962 -1.045 2.153 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.417 -1.392 2.904 1.00 0.00 H new ATOM 0 HG LEU B 24 8.921 1.098 3.668 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.752 2.323 1.877 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.883 1.112 1.225 1.00 0.00 H new ATOM 0 HD13 LEU B 24 7.134 0.782 1.235 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.648 1.961 4.044 1.00 0.00 H new ATOM 0 HD22 LEU B 24 5.973 0.405 3.505 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.962 0.482 4.983 1.00 0.00 H new ATOM 672 N VAL B 25 8.058 -0.897 6.366 1.00 0.00 N ATOM 673 CA VAL B 25 7.152 -1.044 7.497 1.00 0.00 C ATOM 674 C VAL B 25 6.391 0.253 7.747 1.00 0.00 C ATOM 675 O VAL B 25 6.985 1.274 8.095 1.00 0.00 O ATOM 676 CB VAL B 25 7.910 -1.441 8.778 1.00 0.00 C ATOM 677 CG1 VAL B 25 6.969 -1.480 9.972 1.00 0.00 C ATOM 678 CG2 VAL B 25 8.598 -2.783 8.593 1.00 0.00 C ATOM 0 H VAL B 25 8.661 -0.076 6.418 1.00 0.00 H new ATOM 0 HA VAL B 25 6.449 -1.838 7.246 1.00 0.00 H new ATOM 0 HB VAL B 25 8.672 -0.687 8.973 1.00 0.00 H new ATOM 0 HG11 VAL B 25 7.526 -1.763 10.865 1.00 0.00 H new ATOM 0 HG12 VAL B 25 6.525 -0.495 10.118 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.180 -2.210 9.790 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.129 -3.049 9.507 1.00 0.00 H new ATOM 0 HG22 VAL B 25 7.852 -3.547 8.371 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.307 -2.718 7.768 1.00 0.00 H new ATOM 688 N LEU B 26 5.075 0.209 7.566 1.00 0.00 N ATOM 689 CA LEU B 26 4.236 1.384 7.763 1.00 0.00 C ATOM 690 C LEU B 26 3.965 1.628 9.241 1.00 0.00 C ATOM 691 O LEU B 26 3.710 0.695 10.000 1.00 0.00 O ATOM 692 CB LEU B 26 2.915 1.220 7.009 1.00 0.00 C ATOM 693 CG LEU B 26 3.046 1.148 5.486 1.00 0.00 C ATOM 694 CD1 LEU B 26 1.687 0.925 4.844 1.00 0.00 C ATOM 695 CD2 LEU B 26 3.689 2.416 4.951 1.00 0.00 C ATOM 0 H LEU B 26 4.567 -0.629 7.283 1.00 0.00 H new ATOM 0 HA LEU B 26 4.771 2.249 7.370 1.00 0.00 H new ATOM 0 HB2 LEU B 26 2.424 0.313 7.360 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.262 2.055 7.264 1.00 0.00 H new ATOM 0 HG LEU B 26 3.686 0.303 5.232 1.00 0.00 H new ATOM 0 HD11 LEU B 26 1.800 0.877 3.761 1.00 0.00 H new ATOM 0 HD12 LEU B 26 1.262 -0.011 5.207 1.00 0.00 H new ATOM 0 HD13 LEU B 26 1.023 1.749 5.103 1.00 0.00 H new ATOM 0 HD21 LEU B 26 3.776 2.350 3.866 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.073 3.276 5.214 1.00 0.00 H new ATOM 0 HD23 LEU B 26 4.681 2.533 5.388 1.00 0.00 H new ATOM 707 N THR B 27 4.022 2.895 9.641 1.00 0.00 N ATOM 708 CA THR B 27 3.781 3.270 11.029 1.00 0.00 C ATOM 709 C THR B 27 2.816 4.448 11.116 1.00 0.00 C ATOM 710 O THR B 27 3.092 5.524 10.590 1.00 0.00 O ATOM 711 CB THR B 27 5.092 3.636 11.750 1.00 0.00 C ATOM 712 OG1 THR B 27 6.025 2.556 11.646 1.00 0.00 O ATOM 713 CG2 THR B 27 4.836 3.952 13.216 1.00 0.00 C ATOM 0 H THR B 27 4.233 3.679 9.023 1.00 0.00 H new ATOM 0 HA THR B 27 3.339 2.403 11.521 1.00 0.00 H new ATOM 0 HB THR B 27 5.507 4.523 11.272 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.857 2.797 12.105 1.00 0.00 H new ATOM 0 HG21 THR B 27 5.777 4.207 13.703 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.148 4.794 13.292 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.399 3.081 13.705 1.00 0.00 H new ATOM 721 N LEU B 28 1.686 4.237 11.783 1.00 0.00 N ATOM 722 CA LEU B 28 0.683 5.283 11.935 1.00 0.00 C ATOM 723 C LEU B 28 0.590 5.755 13.383 1.00 0.00 C ATOM 724 O LEU B 28 0.910 5.010 14.308 1.00 0.00 O ATOM 725 CB LEU B 28 -0.689 4.787 11.465 1.00 0.00 C ATOM 726 CG LEU B 28 -0.814 4.569 9.958 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.225 3.226 9.559 1.00 0.00 C ATOM 728 CD2 LEU B 28 -2.268 4.670 9.527 1.00 0.00 C ATOM 0 H LEU B 28 1.443 3.351 12.226 1.00 0.00 H new ATOM 0 HA LEU B 28 0.991 6.125 11.316 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.913 3.849 11.973 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.446 5.507 11.777 1.00 0.00 H new ATOM 0 HG LEU B 28 -0.250 5.350 9.448 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.324 3.091 8.482 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.830 3.195 9.833 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.757 2.427 10.076 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -2.340 4.512 8.451 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -2.855 3.911 10.045 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -2.653 5.659 9.776 1.00 0.00 H new ATOM 740 N PRO B 29 0.148 7.010 13.597 1.00 0.00 N ATOM 741 CA PRO B 29 0.001 7.585 14.930 1.00 0.00 C ATOM 742 C PRO B 29 -1.292 7.129 15.592 1.00 0.00 C ATOM 743 O PRO B 29 -1.716 7.677 16.608 1.00 0.00 O ATOM 744 CB PRO B 29 -0.034 9.101 14.677 1.00 0.00 C ATOM 745 CG PRO B 29 0.124 9.280 13.197 1.00 0.00 C ATOM 746 CD PRO B 29 -0.246 7.971 12.566 1.00 0.00 C ATOM 0 HA PRO B 29 0.805 7.280 15.600 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.973 9.532 15.023 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.767 9.605 15.218 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.519 10.081 12.833 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.149 9.555 12.947 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -1.311 7.914 12.341 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.287 7.805 11.630 1.00 0.00 H new ATOM 754 N SER B 30 -1.912 6.115 14.997 1.00 0.00 N ATOM 755 CA SER B 30 -3.164 5.560 15.497 1.00 0.00 C ATOM 756 C SER B 30 -3.016 5.071 16.934 1.00 0.00 C ATOM 757 O SER B 30 -1.919 5.063 17.490 1.00 0.00 O ATOM 758 CB SER B 30 -3.610 4.411 14.595 1.00 0.00 C ATOM 759 OG SER B 30 -2.645 3.374 14.587 1.00 0.00 O ATOM 0 H SER B 30 -1.561 5.656 14.156 1.00 0.00 H new ATOM 0 HA SER B 30 -3.918 6.347 15.487 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.567 4.021 14.942 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.764 4.778 13.580 1.00 0.00 H new ATOM 0 HG SER B 30 -2.427 3.137 13.661 1.00 0.00 H new ATOM 765 N ASN B 31 -4.133 4.663 17.528 1.00 0.00 N ATOM 766 CA ASN B 31 -4.138 4.168 18.899 1.00 0.00 C ATOM 767 C ASN B 31 -5.213 3.095 19.080 1.00 0.00 C ATOM 768 O ASN B 31 -6.300 3.201 18.516 1.00 0.00 O ATOM 769 CB ASN B 31 -4.374 5.322 19.875 1.00 0.00 C ATOM 770 CG ASN B 31 -4.443 4.863 21.315 1.00 0.00 C ATOM 771 OD1 ASN B 31 -3.429 4.805 22.010 1.00 0.00 O ATOM 772 ND2 ASN B 31 -5.645 4.530 21.774 1.00 0.00 N ATOM 0 H ASN B 31 -5.049 4.666 17.079 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.166 3.721 19.109 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.572 6.052 19.769 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -5.303 5.829 19.614 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.753 4.211 22.737 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.460 4.593 21.163 1.00 0.00 H new ATOM 779 N PRO B 32 -4.920 2.044 19.868 1.00 0.00 N ATOM 780 CA PRO B 32 -5.870 0.952 20.112 1.00 0.00 C ATOM 781 C PRO B 32 -7.235 1.446 20.582 1.00 0.00 C ATOM 782 O PRO B 32 -8.253 1.189 19.940 1.00 0.00 O ATOM 783 CB PRO B 32 -5.195 0.132 21.211 1.00 0.00 C ATOM 784 CG PRO B 32 -3.742 0.411 21.052 1.00 0.00 C ATOM 785 CD PRO B 32 -3.645 1.832 20.579 1.00 0.00 C ATOM 0 HA PRO B 32 -6.076 0.390 19.201 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -5.549 0.427 22.199 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.409 -0.931 21.100 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -3.213 0.276 21.995 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -3.290 -0.272 20.333 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -3.529 2.526 21.412 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -2.789 1.979 19.921 1.00 0.00 H new ATOM 793 N THR B 33 -7.249 2.157 21.704 1.00 0.00 N ATOM 794 CA THR B 33 -8.493 2.677 22.260 1.00 0.00 C ATOM 795 C THR B 33 -8.902 3.985 21.588 1.00 0.00 C ATOM 796 O THR B 33 -8.597 5.068 22.083 1.00 0.00 O ATOM 797 CB THR B 33 -8.375 2.906 23.779 1.00 0.00 C ATOM 798 OG1 THR B 33 -7.947 1.701 24.424 1.00 0.00 O ATOM 799 CG2 THR B 33 -9.706 3.352 24.366 1.00 0.00 C ATOM 0 H THR B 33 -6.415 2.386 22.245 1.00 0.00 H new ATOM 0 HA THR B 33 -9.259 1.925 22.070 1.00 0.00 H new ATOM 0 HB THR B 33 -7.639 3.692 23.948 1.00 0.00 H new ATOM 0 HG1 THR B 33 -7.873 1.855 25.389 1.00 0.00 H new ATOM 0 HG21 THR B 33 -9.597 3.507 25.439 1.00 0.00 H new ATOM 0 HG22 THR B 33 -10.017 4.284 23.895 1.00 0.00 H new ATOM 0 HG23 THR B 33 -10.459 2.585 24.185 1.00 0.00 H new ATOM 807 N THR B 34 -9.590 3.870 20.455 1.00 0.00 N ATOM 808 CA THR B 34 -10.050 5.039 19.715 1.00 0.00 C ATOM 809 C THR B 34 -11.336 4.732 18.954 1.00 0.00 C ATOM 810 O THR B 34 -12.403 5.250 19.282 1.00 0.00 O ATOM 811 CB THR B 34 -8.990 5.537 18.715 1.00 0.00 C ATOM 812 OG1 THR B 34 -8.527 4.451 17.907 1.00 0.00 O ATOM 813 CG2 THR B 34 -7.813 6.175 19.438 1.00 0.00 C ATOM 0 H THR B 34 -9.841 2.977 20.030 1.00 0.00 H new ATOM 0 HA THR B 34 -10.235 5.821 20.452 1.00 0.00 H new ATOM 0 HB THR B 34 -9.455 6.291 18.079 1.00 0.00 H new ATOM 0 HG1 THR B 34 -7.585 4.271 18.109 1.00 0.00 H new ATOM 0 HG21 THR B 34 -7.080 6.518 18.708 1.00 0.00 H new ATOM 0 HG22 THR B 34 -8.164 7.023 20.026 1.00 0.00 H new ATOM 0 HG23 THR B 34 -7.351 5.442 20.099 1.00 0.00 H new ATOM 821 N GLY B 35 -11.223 3.887 17.935 1.00 0.00 N ATOM 822 CA GLY B 35 -12.377 3.524 17.138 1.00 0.00 C ATOM 823 C GLY B 35 -12.029 3.392 15.671 1.00 0.00 C ATOM 824 O GLY B 35 -12.551 2.522 14.977 1.00 0.00 O ATOM 0 H GLY B 35 -10.349 3.446 17.647 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.787 2.581 17.500 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.155 4.278 17.261 1.00 0.00 H new ATOM 828 N PHE B 36 -11.136 4.258 15.206 1.00 0.00 N ATOM 829 CA PHE B 36 -10.705 4.244 13.819 1.00 0.00 C ATOM 830 C PHE B 36 -9.522 3.306 13.627 1.00 0.00 C ATOM 831 O PHE B 36 -8.384 3.645 13.948 1.00 0.00 O ATOM 832 CB PHE B 36 -10.328 5.651 13.370 1.00 0.00 C ATOM 833 CG PHE B 36 -11.513 6.525 13.064 1.00 0.00 C ATOM 834 CD1 PHE B 36 -12.389 6.904 14.067 1.00 0.00 C ATOM 835 CD2 PHE B 36 -11.748 6.965 11.772 1.00 0.00 C ATOM 836 CE1 PHE B 36 -13.479 7.706 13.785 1.00 0.00 C ATOM 837 CE2 PHE B 36 -12.834 7.766 11.486 1.00 0.00 C ATOM 838 CZ PHE B 36 -13.701 8.137 12.493 1.00 0.00 C ATOM 0 H PHE B 36 -10.696 4.981 15.775 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.534 3.884 13.210 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -9.730 6.124 14.149 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -9.699 5.583 12.483 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.219 6.570 15.080 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.073 6.678 10.979 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -14.156 7.995 14.575 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.005 8.103 10.474 1.00 0.00 H new ATOM 0 HZ PHE B 36 -14.552 8.764 12.271 1.00 0.00 H new ATOM 848 N ARG B 37 -9.807 2.122 13.110 1.00 0.00 N ATOM 849 CA ARG B 37 -8.778 1.124 12.863 1.00 0.00 C ATOM 850 C ARG B 37 -7.998 1.463 11.598 1.00 0.00 C ATOM 851 O ARG B 37 -7.808 2.634 11.274 1.00 0.00 O ATOM 852 CB ARG B 37 -9.416 -0.260 12.726 1.00 0.00 C ATOM 853 CG ARG B 37 -8.567 -1.381 13.302 1.00 0.00 C ATOM 854 CD ARG B 37 -8.431 -1.265 14.811 1.00 0.00 C ATOM 855 NE ARG B 37 -9.726 -1.321 15.483 1.00 0.00 N ATOM 856 CZ ARG B 37 -9.872 -1.289 16.802 1.00 0.00 C ATOM 857 NH1 ARG B 37 -8.809 -1.201 17.591 1.00 0.00 N ATOM 858 NH2 ARG B 37 -11.084 -1.345 17.338 1.00 0.00 N ATOM 0 H ARG B 37 -10.749 1.827 12.852 1.00 0.00 H new ATOM 0 HA ARG B 37 -8.088 1.120 13.707 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -10.385 -0.255 13.226 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -9.603 -0.462 11.671 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -9.014 -2.342 13.050 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -7.578 -1.360 12.845 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.796 -2.070 15.181 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.934 -0.327 15.059 1.00 0.00 H new ATOM 0 HE ARG B 37 -10.565 -1.388 14.907 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -7.874 -1.158 17.185 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -8.926 -1.177 18.604 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -11.905 -1.413 16.737 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -11.195 -1.320 18.352 1.00 0.00 H new ATOM 872 N TRP B 38 -7.549 0.436 10.883 1.00 0.00 N ATOM 873 CA TRP B 38 -6.794 0.639 9.654 1.00 0.00 C ATOM 874 C TRP B 38 -7.265 -0.319 8.566 1.00 0.00 C ATOM 875 O TRP B 38 -7.198 -1.536 8.730 1.00 0.00 O ATOM 876 CB TRP B 38 -5.296 0.441 9.898 1.00 0.00 C ATOM 877 CG TRP B 38 -4.886 0.621 11.327 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.537 1.790 11.942 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.779 -0.403 12.319 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.216 1.551 13.254 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.358 0.213 13.511 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.998 -1.783 12.316 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.153 -0.502 14.688 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.793 -2.492 13.483 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.375 -1.851 14.655 1.00 0.00 C ATOM 0 H TRP B 38 -7.695 -0.542 11.134 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.967 1.663 9.324 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -5.014 -0.560 9.572 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.741 1.146 9.279 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.517 2.759 11.466 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.919 2.256 13.929 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -5.322 -2.286 11.417 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.831 -0.010 15.593 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.958 -3.559 13.492 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -4.225 -2.434 15.552 1.00 0.00 H new ATOM 896 N GLU B 39 -7.740 0.235 7.456 1.00 0.00 N ATOM 897 CA GLU B 39 -8.212 -0.579 6.344 1.00 0.00 C ATOM 898 C GLU B 39 -7.288 -0.436 5.139 1.00 0.00 C ATOM 899 O GLU B 39 -7.123 0.656 4.598 1.00 0.00 O ATOM 900 CB GLU B 39 -9.643 -0.197 5.963 1.00 0.00 C ATOM 901 CG GLU B 39 -10.669 -0.558 7.025 1.00 0.00 C ATOM 902 CD GLU B 39 -12.090 -0.532 6.498 1.00 0.00 C ATOM 903 OE1 GLU B 39 -12.772 0.497 6.677 1.00 0.00 O ATOM 904 OE2 GLU B 39 -12.521 -1.542 5.902 1.00 0.00 O ATOM 0 H GLU B 39 -7.808 1.241 7.303 1.00 0.00 H new ATOM 0 HA GLU B 39 -8.205 -1.621 6.663 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.687 0.876 5.776 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.907 -0.694 5.030 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.448 -1.552 7.415 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.582 0.138 7.859 1.00 0.00 H new ATOM 911 N LEU B 40 -6.689 -1.549 4.730 1.00 0.00 N ATOM 912 CA LEU B 40 -5.775 -1.554 3.595 1.00 0.00 C ATOM 913 C LEU B 40 -6.520 -1.848 2.298 1.00 0.00 C ATOM 914 O LEU B 40 -7.266 -2.821 2.204 1.00 0.00 O ATOM 915 CB LEU B 40 -4.672 -2.593 3.816 1.00 0.00 C ATOM 916 CG LEU B 40 -3.317 -2.256 3.186 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.266 -3.267 3.614 1.00 0.00 C ATOM 918 CD2 LEU B 40 -3.424 -2.206 1.672 1.00 0.00 C ATOM 0 H LEU B 40 -6.821 -2.460 5.169 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.324 -0.565 3.513 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.532 -2.727 4.889 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.011 -3.549 3.417 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.012 -1.270 3.538 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.309 -3.013 3.157 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.166 -3.250 4.699 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.568 -4.264 3.293 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.450 -1.965 1.246 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.754 -3.175 1.298 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.145 -1.442 1.383 1.00 0.00 H new ATOM 930 N ARG B 41 -6.309 -0.997 1.300 1.00 0.00 N ATOM 931 CA ARG B 41 -6.956 -1.160 0.003 1.00 0.00 C ATOM 932 C ARG B 41 -6.034 -1.872 -0.980 1.00 0.00 C ATOM 933 O ARG B 41 -6.303 -3.001 -1.392 1.00 0.00 O ATOM 934 CB ARG B 41 -7.361 0.203 -0.563 1.00 0.00 C ATOM 935 CG ARG B 41 -8.236 1.020 0.377 1.00 0.00 C ATOM 936 CD ARG B 41 -9.587 0.362 0.603 1.00 0.00 C ATOM 937 NE ARG B 41 -10.337 0.209 -0.640 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.614 -0.157 -0.690 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.281 -0.405 0.430 1.00 0.00 N ATOM 940 NH2 ARG B 41 -12.226 -0.277 -1.860 1.00 0.00 N ATOM 0 H ARG B 41 -5.694 -0.186 1.364 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.848 -1.769 0.146 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.461 0.773 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.893 0.053 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.727 1.143 1.333 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.382 2.018 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.441 -0.616 1.061 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.168 0.960 1.305 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.854 0.393 -1.519 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.814 -0.315 1.332 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -13.261 -0.686 0.389 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.717 -0.088 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -13.206 -0.558 -1.897 1.00 0.00 H new ATOM 954 N ASN B 42 -4.945 -1.206 -1.355 1.00 0.00 N ATOM 955 CA ASN B 42 -3.981 -1.771 -2.293 1.00 0.00 C ATOM 956 C ASN B 42 -2.606 -1.929 -1.640 1.00 0.00 C ATOM 957 O ASN B 42 -1.822 -0.983 -1.600 1.00 0.00 O ATOM 958 CB ASN B 42 -3.869 -0.882 -3.532 1.00 0.00 C ATOM 959 CG ASN B 42 -3.040 -1.518 -4.630 1.00 0.00 C ATOM 960 OD1 ASN B 42 -2.960 -2.742 -4.732 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.420 -0.689 -5.460 1.00 0.00 N ATOM 0 H ASN B 42 -4.708 -0.271 -1.022 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.336 -2.758 -2.589 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.868 -0.668 -3.913 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.423 0.072 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -1.849 -1.060 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.514 0.319 -5.338 1.00 0.00 H new ATOM 968 N PRO B 43 -2.297 -3.131 -1.116 1.00 0.00 N ATOM 969 CA PRO B 43 -1.013 -3.399 -0.461 1.00 0.00 C ATOM 970 C PRO B 43 0.126 -3.610 -1.452 1.00 0.00 C ATOM 971 O PRO B 43 1.244 -3.946 -1.059 1.00 0.00 O ATOM 972 CB PRO B 43 -1.287 -4.684 0.314 1.00 0.00 C ATOM 973 CG PRO B 43 -2.317 -5.392 -0.496 1.00 0.00 C ATOM 974 CD PRO B 43 -3.175 -4.320 -1.116 1.00 0.00 C ATOM 0 HA PRO B 43 -0.689 -2.561 0.157 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.383 -5.284 0.420 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.649 -4.472 1.320 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.851 -6.010 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.915 -6.056 0.129 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.486 -4.589 -2.125 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.083 -4.148 -0.538 1.00 0.00 H new ATOM 982 N ALA B 44 -0.161 -3.411 -2.734 1.00 0.00 N ATOM 983 CA ALA B 44 0.846 -3.587 -3.776 1.00 0.00 C ATOM 984 C ALA B 44 1.471 -4.973 -3.696 1.00 0.00 C ATOM 985 O ALA B 44 2.621 -5.171 -4.092 1.00 0.00 O ATOM 986 CB ALA B 44 1.920 -2.516 -3.661 1.00 0.00 C ATOM 0 H ALA B 44 -1.079 -3.129 -3.077 1.00 0.00 H new ATOM 0 HA ALA B 44 0.355 -3.488 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.664 -2.661 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.465 -1.531 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.402 -2.587 -2.686 1.00 0.00 H new ATOM 992 N ALA B 45 0.705 -5.932 -3.186 1.00 0.00 N ATOM 993 CA ALA B 45 1.179 -7.304 -3.044 1.00 0.00 C ATOM 994 C ALA B 45 1.604 -7.889 -4.386 1.00 0.00 C ATOM 995 O ALA B 45 2.315 -8.891 -4.436 1.00 0.00 O ATOM 996 CB ALA B 45 0.096 -8.168 -2.415 1.00 0.00 C ATOM 0 H ALA B 45 -0.251 -5.783 -2.863 1.00 0.00 H new ATOM 0 HA ALA B 45 2.053 -7.291 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.460 -9.191 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.158 -7.774 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -0.790 -8.160 -3.049 1.00 0.00 H new ATOM 1002 N SER B 46 1.168 -7.256 -5.469 1.00 0.00 N ATOM 1003 CA SER B 46 1.505 -7.717 -6.809 1.00 0.00 C ATOM 1004 C SER B 46 3.011 -7.658 -7.047 1.00 0.00 C ATOM 1005 O SER B 46 3.536 -8.343 -7.924 1.00 0.00 O ATOM 1006 CB SER B 46 0.778 -6.877 -7.858 1.00 0.00 C ATOM 1007 OG SER B 46 1.084 -7.319 -9.168 1.00 0.00 O ATOM 0 H SER B 46 0.581 -6.422 -5.445 1.00 0.00 H new ATOM 0 HA SER B 46 1.184 -8.755 -6.898 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.298 -6.936 -7.693 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.060 -5.830 -7.749 1.00 0.00 H new ATOM 0 HG SER B 46 0.605 -6.766 -9.820 1.00 0.00 H new ATOM 1013 N VAL B 47 3.701 -6.834 -6.265 1.00 0.00 N ATOM 1014 CA VAL B 47 5.147 -6.687 -6.397 1.00 0.00 C ATOM 1015 C VAL B 47 5.844 -6.783 -5.045 1.00 0.00 C ATOM 1016 O VAL B 47 7.065 -6.924 -4.975 1.00 0.00 O ATOM 1017 CB VAL B 47 5.515 -5.346 -7.058 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.885 -5.245 -8.437 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.089 -4.180 -6.183 1.00 0.00 C ATOM 0 H VAL B 47 3.283 -6.258 -5.534 1.00 0.00 H new ATOM 0 HA VAL B 47 5.488 -7.505 -7.031 1.00 0.00 H new ATOM 0 HB VAL B 47 6.598 -5.303 -7.171 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.154 -4.291 -8.891 1.00 0.00 H new ATOM 0 HG12 VAL B 47 5.247 -6.060 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.801 -5.311 -8.347 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.359 -3.243 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.010 -4.213 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.592 -4.246 -5.218 1.00 0.00 H new ATOM 1029 N LEU B 48 5.062 -6.708 -3.973 1.00 0.00 N ATOM 1030 CA LEU B 48 5.610 -6.786 -2.624 1.00 0.00 C ATOM 1031 C LEU B 48 5.231 -8.105 -1.960 1.00 0.00 C ATOM 1032 O LEU B 48 4.281 -8.770 -2.374 1.00 0.00 O ATOM 1033 CB LEU B 48 5.104 -5.615 -1.779 1.00 0.00 C ATOM 1034 CG LEU B 48 5.436 -4.225 -2.328 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.775 -3.150 -1.482 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.941 -4.013 -2.381 1.00 0.00 C ATOM 0 H LEU B 48 4.049 -6.594 -4.012 1.00 0.00 H new ATOM 0 HA LEU B 48 6.696 -6.733 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.022 -5.700 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.524 -5.702 -0.777 1.00 0.00 H new ATOM 0 HG LEU B 48 5.047 -4.155 -3.344 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.021 -2.168 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.694 -3.289 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.136 -3.222 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.155 -3.019 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.357 -4.104 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.392 -4.764 -3.030 1.00 0.00 H new ATOM 1048 N LYS B 49 5.983 -8.480 -0.929 1.00 0.00 N ATOM 1049 CA LYS B 49 5.725 -9.719 -0.208 1.00 0.00 C ATOM 1050 C LYS B 49 5.849 -9.497 1.297 1.00 0.00 C ATOM 1051 O LYS B 49 5.446 -8.456 1.799 1.00 0.00 O ATOM 1052 CB LYS B 49 6.684 -10.814 -0.680 1.00 0.00 C ATOM 1053 CG LYS B 49 6.154 -12.217 -0.474 1.00 0.00 C ATOM 1054 CD LYS B 49 5.335 -12.652 -1.667 1.00 0.00 C ATOM 1055 CE LYS B 49 3.889 -12.195 -1.558 1.00 0.00 C ATOM 1056 NZ LYS B 49 3.191 -12.827 -0.406 1.00 0.00 N ATOM 0 H LYS B 49 6.775 -7.943 -0.576 1.00 0.00 H new ATOM 0 HA LYS B 49 4.705 -10.042 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.896 -10.667 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.630 -10.711 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.984 -12.907 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.542 -12.253 0.427 1.00 0.00 H new ATOM 0 HD2 LYS B 49 5.776 -12.247 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS B 49 5.367 -13.738 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS B 49 3.858 -11.111 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.361 -12.439 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.169 -12.864 -0.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.552 -13.792 -0.268 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 3.363 -12.267 0.454 1.00 0.00 H new ATOM 1070 N ARG B 50 6.395 -10.479 2.016 1.00 0.00 N ATOM 1071 CA ARG B 50 6.550 -10.374 3.467 1.00 0.00 C ATOM 1072 C ARG B 50 5.261 -9.882 4.115 1.00 0.00 C ATOM 1073 O ARG B 50 5.278 -9.232 5.159 1.00 0.00 O ATOM 1074 CB ARG B 50 7.722 -9.455 3.822 1.00 0.00 C ATOM 1075 CG ARG B 50 8.159 -9.554 5.275 1.00 0.00 C ATOM 1076 CD ARG B 50 9.188 -8.493 5.625 1.00 0.00 C ATOM 1077 NE ARG B 50 9.623 -8.590 7.016 1.00 0.00 N ATOM 1078 CZ ARG B 50 9.963 -7.541 7.758 1.00 0.00 C ATOM 1079 NH1 ARG B 50 9.912 -6.318 7.248 1.00 0.00 N ATOM 1080 NH2 ARG B 50 10.352 -7.715 9.013 1.00 0.00 N ATOM 0 H ARG B 50 6.736 -11.354 1.618 1.00 0.00 H new ATOM 0 HA ARG B 50 6.767 -11.368 3.858 1.00 0.00 H new ATOM 0 HB2 ARG B 50 8.569 -9.697 3.180 1.00 0.00 H new ATOM 0 HB3 ARG B 50 7.442 -8.424 3.606 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.290 -9.447 5.925 1.00 0.00 H new ATOM 0 HG3 ARG B 50 8.577 -10.543 5.463 1.00 0.00 H new ATOM 0 HD2 ARG B 50 10.051 -8.594 4.967 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.765 -7.505 5.446 1.00 0.00 H new ATOM 0 HE ARG B 50 9.668 -9.516 7.442 1.00 0.00 H new ATOM 0 HH11 ARG B 50 9.611 -6.180 6.283 1.00 0.00 H new ATOM 0 HH12 ARG B 50 10.174 -5.515 7.820 1.00 0.00 H new ATOM 0 HH21 ARG B 50 10.390 -8.654 9.409 1.00 0.00 H new ATOM 0 HH22 ARG B 50 10.613 -6.910 9.582 1.00 0.00 H new ATOM 1094 N LEU B 51 4.139 -10.213 3.484 1.00 0.00 N ATOM 1095 CA LEU B 51 2.829 -9.813 3.977 1.00 0.00 C ATOM 1096 C LEU B 51 2.325 -10.796 5.028 1.00 0.00 C ATOM 1097 O LEU B 51 3.063 -11.679 5.466 1.00 0.00 O ATOM 1098 CB LEU B 51 1.841 -9.745 2.813 1.00 0.00 C ATOM 1099 CG LEU B 51 2.431 -9.214 1.505 1.00 0.00 C ATOM 1100 CD1 LEU B 51 1.569 -9.623 0.326 1.00 0.00 C ATOM 1101 CD2 LEU B 51 2.584 -7.705 1.555 1.00 0.00 C ATOM 0 H LEU B 51 4.113 -10.761 2.624 1.00 0.00 H new ATOM 0 HA LEU B 51 2.916 -8.830 4.439 1.00 0.00 H new ATOM 0 HB2 LEU B 51 1.439 -10.743 2.636 1.00 0.00 H new ATOM 0 HB3 LEU B 51 1.003 -9.111 3.102 1.00 0.00 H new ATOM 0 HG LEU B 51 3.421 -9.652 1.377 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.005 -9.236 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU B 51 1.516 -10.710 0.274 1.00 0.00 H new ATOM 0 HD13 LEU B 51 0.565 -9.217 0.451 1.00 0.00 H new ATOM 0 HD21 LEU B 51 3.005 -7.351 0.614 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.608 -7.245 1.712 1.00 0.00 H new ATOM 0 HD23 LEU B 51 3.249 -7.434 2.375 1.00 0.00 H new ATOM 1113 N GLY B 52 1.068 -10.640 5.431 1.00 0.00 N ATOM 1114 CA GLY B 52 0.493 -11.524 6.424 1.00 0.00 C ATOM 1115 C GLY B 52 -0.929 -11.145 6.791 1.00 0.00 C ATOM 1116 O GLY B 52 -1.443 -10.129 6.324 1.00 0.00 O ATOM 0 H GLY B 52 0.438 -9.916 5.086 1.00 0.00 H new ATOM 0 HA2 GLY B 52 0.506 -12.546 6.046 1.00 0.00 H new ATOM 0 HA3 GLY B 52 1.112 -11.508 7.321 1.00 0.00 H new ATOM 1120 N PRO B 53 -1.596 -11.954 7.632 1.00 0.00 N ATOM 1121 CA PRO B 53 -2.971 -11.698 8.059 1.00 0.00 C ATOM 1122 C PRO B 53 -3.048 -10.691 9.199 1.00 0.00 C ATOM 1123 O PRO B 53 -3.882 -9.785 9.185 1.00 0.00 O ATOM 1124 CB PRO B 53 -3.437 -13.073 8.522 1.00 0.00 C ATOM 1125 CG PRO B 53 -2.205 -13.724 9.051 1.00 0.00 C ATOM 1126 CD PRO B 53 -1.058 -13.191 8.232 1.00 0.00 C ATOM 0 HA PRO B 53 -3.580 -11.264 7.266 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -4.206 -12.994 9.291 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -3.866 -13.645 7.699 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -2.067 -13.495 10.108 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -2.272 -14.809 8.966 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -0.185 -12.988 8.852 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -0.747 -13.904 7.468 1.00 0.00 H new ATOM 1134 N GLU B 54 -2.174 -10.854 10.187 1.00 0.00 N ATOM 1135 CA GLU B 54 -2.141 -9.960 11.337 1.00 0.00 C ATOM 1136 C GLU B 54 -0.750 -9.364 11.524 1.00 0.00 C ATOM 1137 O GLU B 54 0.142 -9.581 10.706 1.00 0.00 O ATOM 1138 CB GLU B 54 -2.562 -10.709 12.601 1.00 0.00 C ATOM 1139 CG GLU B 54 -3.965 -11.291 12.525 1.00 0.00 C ATOM 1140 CD GLU B 54 -4.358 -12.033 13.785 1.00 0.00 C ATOM 1141 OE1 GLU B 54 -4.108 -13.254 13.857 1.00 0.00 O ATOM 1142 OE2 GLU B 54 -4.915 -11.394 14.701 1.00 0.00 O ATOM 0 H GLU B 54 -1.478 -11.599 10.213 1.00 0.00 H new ATOM 0 HA GLU B 54 -2.842 -9.146 11.154 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -1.853 -11.515 12.789 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -2.505 -10.030 13.452 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -4.678 -10.487 12.344 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -4.027 -11.969 11.674 1.00 0.00 H new ATOM 1149 N VAL B 55 -0.573 -8.611 12.605 1.00 0.00 N ATOM 1150 CA VAL B 55 0.710 -7.985 12.896 1.00 0.00 C ATOM 1151 C VAL B 55 1.238 -8.418 14.259 1.00 0.00 C ATOM 1152 O VAL B 55 2.196 -7.845 14.777 1.00 0.00 O ATOM 1153 CB VAL B 55 0.607 -6.449 12.858 1.00 0.00 C ATOM 1154 CG1 VAL B 55 0.234 -5.977 11.461 1.00 0.00 C ATOM 1155 CG2 VAL B 55 -0.402 -5.953 13.881 1.00 0.00 C ATOM 0 H VAL B 55 -1.302 -8.420 13.293 1.00 0.00 H new ATOM 0 HA VAL B 55 1.404 -8.313 12.122 1.00 0.00 H new ATOM 0 HB VAL B 55 1.581 -6.032 13.113 1.00 0.00 H new ATOM 0 HG11 VAL B 55 0.165 -4.889 11.451 1.00 0.00 H new ATOM 0 HG12 VAL B 55 0.997 -6.299 10.752 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -0.728 -6.404 11.177 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -0.459 -4.865 13.838 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -1.382 -6.377 13.661 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -0.089 -6.260 14.879 1.00 0.00 H new ATOM 1165 N TYR B 56 0.607 -9.436 14.831 1.00 0.00 N ATOM 1166 CA TYR B 56 1.011 -9.957 16.132 1.00 0.00 C ATOM 1167 C TYR B 56 0.903 -11.477 16.163 1.00 0.00 C ATOM 1168 O TYR B 56 1.053 -12.096 17.215 1.00 0.00 O ATOM 1169 CB TYR B 56 0.149 -9.353 17.242 1.00 0.00 C ATOM 1170 CG TYR B 56 0.395 -7.880 17.475 1.00 0.00 C ATOM 1171 CD1 TYR B 56 1.638 -7.422 17.895 1.00 0.00 C ATOM 1172 CD2 TYR B 56 -0.614 -6.947 17.276 1.00 0.00 C ATOM 1173 CE1 TYR B 56 1.868 -6.077 18.111 1.00 0.00 C ATOM 1174 CE2 TYR B 56 -0.391 -5.600 17.487 1.00 0.00 C ATOM 1175 CZ TYR B 56 0.850 -5.171 17.906 1.00 0.00 C ATOM 1176 OH TYR B 56 1.074 -3.831 18.119 1.00 0.00 O ATOM 0 H TYR B 56 -0.189 -9.919 14.413 1.00 0.00 H new ATOM 0 HA TYR B 56 2.051 -9.677 16.299 1.00 0.00 H new ATOM 0 HB2 TYR B 56 -0.902 -9.501 16.994 1.00 0.00 H new ATOM 0 HB3 TYR B 56 0.337 -9.894 18.169 1.00 0.00 H new ATOM 0 HD1 TYR B 56 2.438 -8.130 18.055 1.00 0.00 H new ATOM 0 HD2 TYR B 56 -1.589 -7.280 16.951 1.00 0.00 H new ATOM 0 HE1 TYR B 56 2.840 -5.738 18.438 1.00 0.00 H new ATOM 0 HE2 TYR B 56 -1.185 -4.887 17.324 1.00 0.00 H new ATOM 0 HH TYR B 56 0.718 -3.316 17.365 1.00 0.00 H new ATOM 1186 N SER B 57 0.648 -12.070 15.002 1.00 0.00 N ATOM 1187 CA SER B 57 0.523 -13.518 14.894 1.00 0.00 C ATOM 1188 C SER B 57 1.888 -14.192 14.962 1.00 0.00 C ATOM 1189 O SER B 57 1.983 -15.414 15.054 1.00 0.00 O ATOM 1190 CB SER B 57 -0.181 -13.895 13.589 1.00 0.00 C ATOM 1191 OG SER B 57 -0.317 -15.300 13.468 1.00 0.00 O ATOM 0 H SER B 57 0.524 -11.569 14.122 1.00 0.00 H new ATOM 0 HA SER B 57 -0.075 -13.868 15.736 1.00 0.00 H new ATOM 0 HB2 SER B 57 -1.165 -13.427 13.555 1.00 0.00 H new ATOM 0 HB3 SER B 57 0.385 -13.507 12.742 1.00 0.00 H new ATOM 0 HG SER B 57 0.450 -15.740 13.890 1.00 0.00 H new ATOM 1197 N ASN B 58 2.944 -13.385 14.914 1.00 0.00 N ATOM 1198 CA ASN B 58 4.306 -13.902 14.971 1.00 0.00 C ATOM 1199 C ASN B 58 4.618 -14.466 16.351 1.00 0.00 C ATOM 1200 O ASN B 58 3.871 -14.248 17.304 1.00 0.00 O ATOM 1201 CB ASN B 58 5.310 -12.803 14.618 1.00 0.00 C ATOM 1202 CG ASN B 58 5.134 -12.288 13.204 1.00 0.00 C ATOM 1203 OD1 ASN B 58 4.027 -12.284 12.664 1.00 0.00 O ATOM 1204 ND2 ASN B 58 6.230 -11.850 12.594 1.00 0.00 N ATOM 0 H ASN B 58 2.882 -12.370 14.836 1.00 0.00 H new ATOM 0 HA ASN B 58 4.390 -14.708 14.242 1.00 0.00 H new ATOM 0 HB2 ASN B 58 5.199 -11.976 15.319 1.00 0.00 H new ATOM 0 HB3 ASN B 58 6.323 -13.189 14.737 1.00 0.00 H new ATOM 0 HD21 ASN B 58 6.174 -11.492 11.640 1.00 0.00 H new ATOM 0 HD22 ASN B 58 7.127 -11.872 13.079 1.00 0.00 H new ATOM 1211 N SER B 59 5.726 -15.194 16.451 1.00 0.00 N ATOM 1212 CA SER B 59 6.138 -15.791 17.715 1.00 0.00 C ATOM 1213 C SER B 59 7.001 -14.825 18.518 1.00 0.00 C ATOM 1214 O SER B 59 6.677 -14.489 19.656 1.00 0.00 O ATOM 1215 CB SER B 59 6.905 -17.089 17.461 1.00 0.00 C ATOM 1216 OG SER B 59 6.104 -18.027 16.767 1.00 0.00 O ATOM 0 H SER B 59 6.355 -15.384 15.671 1.00 0.00 H new ATOM 0 HA SER B 59 5.241 -16.013 18.294 1.00 0.00 H new ATOM 0 HB2 SER B 59 7.804 -16.876 16.883 1.00 0.00 H new ATOM 0 HB3 SER B 59 7.229 -17.515 18.410 1.00 0.00 H new ATOM 0 HG SER B 59 6.618 -18.847 16.615 1.00 0.00 H new ATOM 1222 N GLU B 60 8.102 -14.382 17.918 1.00 0.00 N ATOM 1223 CA GLU B 60 9.013 -13.455 18.578 1.00 0.00 C ATOM 1224 C GLU B 60 9.144 -12.164 17.780 1.00 0.00 C ATOM 1225 O GLU B 60 9.492 -12.183 16.602 1.00 0.00 O ATOM 1226 CB GLU B 60 10.386 -14.097 18.758 1.00 0.00 C ATOM 1227 CG GLU B 60 11.336 -13.265 19.601 1.00 0.00 C ATOM 1228 CD GLU B 60 10.882 -13.141 21.039 1.00 0.00 C ATOM 1229 OE1 GLU B 60 10.126 -12.195 21.345 1.00 0.00 O ATOM 1230 OE2 GLU B 60 11.283 -13.990 21.864 1.00 0.00 O ATOM 0 H GLU B 60 8.384 -14.651 16.975 1.00 0.00 H new ATOM 0 HA GLU B 60 8.601 -13.216 19.559 1.00 0.00 H new ATOM 0 HB2 GLU B 60 10.263 -15.076 19.222 1.00 0.00 H new ATOM 0 HB3 GLU B 60 10.833 -14.263 17.778 1.00 0.00 H new ATOM 0 HG2 GLU B 60 12.328 -13.715 19.575 1.00 0.00 H new ATOM 0 HG3 GLU B 60 11.426 -12.270 19.165 1.00 0.00 H new ATOM 1237 N GLU B 61 8.860 -11.042 18.433 1.00 0.00 N ATOM 1238 CA GLU B 61 8.944 -9.739 17.788 1.00 0.00 C ATOM 1239 C GLU B 61 9.452 -8.681 18.762 1.00 0.00 C ATOM 1240 O GLU B 61 8.856 -8.459 19.815 1.00 0.00 O ATOM 1241 CB GLU B 61 7.576 -9.333 17.240 1.00 0.00 C ATOM 1242 CG GLU B 61 7.572 -7.977 16.553 1.00 0.00 C ATOM 1243 CD GLU B 61 6.213 -7.617 15.986 1.00 0.00 C ATOM 1244 OE1 GLU B 61 5.947 -7.960 14.817 1.00 0.00 O ATOM 1245 OE2 GLU B 61 5.415 -6.989 16.713 1.00 0.00 O ATOM 0 H GLU B 61 8.569 -11.010 19.410 1.00 0.00 H new ATOM 0 HA GLU B 61 9.652 -9.813 16.962 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.238 -10.090 16.532 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.856 -9.318 18.058 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.879 -7.211 17.266 1.00 0.00 H new ATOM 0 HG3 GLU B 61 8.309 -7.978 15.749 1.00 0.00 H new ATOM 1252 N ASP B 62 10.554 -8.033 18.402 1.00 0.00 N ATOM 1253 CA ASP B 62 11.140 -6.996 19.243 1.00 0.00 C ATOM 1254 C ASP B 62 10.170 -5.832 19.415 1.00 0.00 C ATOM 1255 O ASP B 62 9.369 -5.544 18.528 1.00 0.00 O ATOM 1256 CB ASP B 62 12.453 -6.498 18.638 1.00 0.00 C ATOM 1257 CG ASP B 62 13.480 -7.603 18.492 1.00 0.00 C ATOM 1258 OD1 ASP B 62 14.260 -7.816 19.443 1.00 0.00 O ATOM 1259 OD2 ASP B 62 13.501 -8.255 17.429 1.00 0.00 O ATOM 0 H ASP B 62 11.060 -8.207 17.533 1.00 0.00 H new ATOM 0 HA ASP B 62 11.344 -7.427 20.223 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.255 -6.058 17.660 1.00 0.00 H new ATOM 0 HB3 ASP B 62 12.862 -5.707 19.266 1.00 0.00 H new ATOM 1264 N SER B 63 10.249 -5.168 20.562 1.00 0.00 N ATOM 1265 CA SER B 63 9.377 -4.036 20.849 1.00 0.00 C ATOM 1266 C SER B 63 9.636 -2.889 19.877 1.00 0.00 C ATOM 1267 O SER B 63 8.978 -2.781 18.844 1.00 0.00 O ATOM 1268 CB SER B 63 9.575 -3.560 22.288 1.00 0.00 C ATOM 1269 OG SER B 63 9.280 -4.592 23.212 1.00 0.00 O ATOM 0 H SER B 63 10.907 -5.394 21.308 1.00 0.00 H new ATOM 0 HA SER B 63 8.345 -4.365 20.726 1.00 0.00 H new ATOM 0 HB2 SER B 63 10.604 -3.227 22.426 1.00 0.00 H new ATOM 0 HB3 SER B 63 8.933 -2.700 22.481 1.00 0.00 H new ATOM 0 HG SER B 63 9.416 -4.263 24.125 1.00 0.00 H new ATOM 1275 N GLY B 64 10.601 -2.038 20.215 1.00 0.00 N ATOM 1276 CA GLY B 64 10.931 -0.911 19.363 1.00 0.00 C ATOM 1277 C GLY B 64 9.722 -0.053 19.039 1.00 0.00 C ATOM 1278 O GLY B 64 9.694 0.624 18.013 1.00 0.00 O ATOM 0 H GLY B 64 11.160 -2.110 21.065 1.00 0.00 H new ATOM 0 HA2 GLY B 64 11.687 -0.298 19.854 1.00 0.00 H new ATOM 0 HA3 GLY B 64 11.371 -1.278 18.436 1.00 0.00 H new ATOM 1282 N LEU B 65 8.723 -0.086 19.916 1.00 0.00 N ATOM 1283 CA LEU B 65 7.506 0.689 19.716 1.00 0.00 C ATOM 1284 C LEU B 65 7.571 2.008 20.478 1.00 0.00 C ATOM 1285 O LEU B 65 8.493 2.239 21.261 1.00 0.00 O ATOM 1286 CB LEU B 65 6.284 -0.116 20.164 1.00 0.00 C ATOM 1287 CG LEU B 65 6.120 -1.477 19.487 1.00 0.00 C ATOM 1288 CD1 LEU B 65 4.923 -2.218 20.063 1.00 0.00 C ATOM 1289 CD2 LEU B 65 5.971 -1.314 17.982 1.00 0.00 C ATOM 0 H LEU B 65 8.734 -0.641 20.771 1.00 0.00 H new ATOM 0 HA LEU B 65 7.415 0.910 18.652 1.00 0.00 H new ATOM 0 HB2 LEU B 65 6.344 -0.269 21.242 1.00 0.00 H new ATOM 0 HB3 LEU B 65 5.389 0.477 19.975 1.00 0.00 H new ATOM 0 HG LEU B 65 7.017 -2.065 19.681 1.00 0.00 H new ATOM 0 HD11 LEU B 65 4.821 -3.185 19.569 1.00 0.00 H new ATOM 0 HD12 LEU B 65 5.069 -2.370 21.132 1.00 0.00 H new ATOM 0 HD13 LEU B 65 4.019 -1.631 19.901 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.856 -2.294 17.520 1.00 0.00 H new ATOM 0 HD22 LEU B 65 5.092 -0.706 17.767 1.00 0.00 H new ATOM 0 HD23 LEU B 65 6.858 -0.825 17.579 1.00 0.00 H new ATOM 1301 N VAL B 66 6.586 2.868 20.245 1.00 0.00 N ATOM 1302 CA VAL B 66 6.531 4.165 20.909 1.00 0.00 C ATOM 1303 C VAL B 66 5.649 4.107 22.150 1.00 0.00 C ATOM 1304 O VAL B 66 5.835 4.874 23.093 1.00 0.00 O ATOM 1305 CB VAL B 66 5.997 5.256 19.964 1.00 0.00 C ATOM 1306 CG1 VAL B 66 6.106 6.628 20.612 1.00 0.00 C ATOM 1307 CG2 VAL B 66 6.741 5.226 18.638 1.00 0.00 C ATOM 0 H VAL B 66 5.815 2.691 19.601 1.00 0.00 H new ATOM 0 HA VAL B 66 7.551 4.416 21.202 1.00 0.00 H new ATOM 0 HB VAL B 66 4.944 5.055 19.769 1.00 0.00 H new ATOM 0 HG11 VAL B 66 5.723 7.385 19.928 1.00 0.00 H new ATOM 0 HG12 VAL B 66 5.523 6.643 21.533 1.00 0.00 H new ATOM 0 HG13 VAL B 66 7.150 6.840 20.841 1.00 0.00 H new ATOM 0 HG21 VAL B 66 6.349 6.005 17.983 1.00 0.00 H new ATOM 0 HG22 VAL B 66 7.803 5.399 18.813 1.00 0.00 H new ATOM 0 HG23 VAL B 66 6.605 4.253 18.166 1.00 0.00 H new ATOM 1317 N GLY B 67 4.689 3.190 22.141 1.00 0.00 N ATOM 1318 CA GLY B 67 3.787 3.043 23.267 1.00 0.00 C ATOM 1319 C GLY B 67 3.930 1.702 23.957 1.00 0.00 C ATOM 1320 O GLY B 67 4.976 1.059 23.864 1.00 0.00 O ATOM 0 H GLY B 67 4.519 2.543 21.371 1.00 0.00 H new ATOM 0 HA2 GLY B 67 3.977 3.840 23.986 1.00 0.00 H new ATOM 0 HA3 GLY B 67 2.760 3.163 22.923 1.00 0.00 H new ATOM 1324 N SER B 68 2.877 1.280 24.649 1.00 0.00 N ATOM 1325 CA SER B 68 2.888 0.005 25.357 1.00 0.00 C ATOM 1326 C SER B 68 2.742 -1.159 24.384 1.00 0.00 C ATOM 1327 O SER B 68 3.230 -2.259 24.641 1.00 0.00 O ATOM 1328 CB SER B 68 1.765 -0.036 26.392 1.00 0.00 C ATOM 1329 OG SER B 68 0.494 0.050 25.771 1.00 0.00 O ATOM 0 H SER B 68 2.005 1.802 24.735 1.00 0.00 H new ATOM 0 HA SER B 68 3.846 -0.091 25.867 1.00 0.00 H new ATOM 0 HB2 SER B 68 1.830 -0.960 26.967 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.885 0.787 27.096 1.00 0.00 H new ATOM 0 HG SER B 68 -0.207 0.020 26.455 1.00 0.00 H new ATOM 1335 N GLY B 69 2.065 -0.910 23.268 1.00 0.00 N ATOM 1336 CA GLY B 69 1.866 -1.947 22.273 1.00 0.00 C ATOM 1337 C GLY B 69 0.573 -1.772 21.503 1.00 0.00 C ATOM 1338 O GLY B 69 -0.509 -1.766 22.089 1.00 0.00 O ATOM 0 H GLY B 69 1.650 -0.008 23.035 1.00 0.00 H new ATOM 0 HA2 GLY B 69 2.704 -1.942 21.576 1.00 0.00 H new ATOM 0 HA3 GLY B 69 1.864 -2.921 22.763 1.00 0.00 H new ATOM 1342 N GLY B 70 0.685 -1.629 20.187 1.00 0.00 N ATOM 1343 CA GLY B 70 -0.491 -1.456 19.357 1.00 0.00 C ATOM 1344 C GLY B 70 -0.172 -0.800 18.028 1.00 0.00 C ATOM 1345 O GLY B 70 0.841 -1.112 17.403 1.00 0.00 O ATOM 0 H GLY B 70 1.570 -1.630 19.680 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -0.951 -2.428 19.178 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -1.223 -0.850 19.891 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.042 0.110 17.598 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.858 0.818 16.336 1.00 0.00 C ATOM 1351 C GLU B 71 -0.808 -0.154 15.163 1.00 0.00 C ATOM 1352 O GLU B 71 -0.927 -1.365 15.341 1.00 0.00 O ATOM 1353 CB GLU B 71 0.423 1.657 16.370 1.00 0.00 C ATOM 1354 CG GLU B 71 0.391 2.781 17.396 1.00 0.00 C ATOM 1355 CD GLU B 71 0.445 2.275 18.824 1.00 0.00 C ATOM 1356 OE1 GLU B 71 1.560 2.005 19.316 1.00 0.00 O ATOM 1357 OE2 GLU B 71 -0.628 2.150 19.449 1.00 0.00 O ATOM 0 H GLU B 71 -1.885 0.375 18.108 1.00 0.00 H new ATOM 0 HA GLU B 71 -1.713 1.480 16.200 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.269 1.004 16.586 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.594 2.084 15.382 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.233 3.451 17.221 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -0.517 3.368 17.257 1.00 0.00 H new ATOM 1364 N SER B 72 -0.636 0.387 13.962 1.00 0.00 N ATOM 1365 CA SER B 72 -0.568 -0.428 12.758 1.00 0.00 C ATOM 1366 C SER B 72 0.879 -0.707 12.374 1.00 0.00 C ATOM 1367 O SER B 72 1.779 0.064 12.709 1.00 0.00 O ATOM 1368 CB SER B 72 -1.284 0.272 11.601 1.00 0.00 C ATOM 1369 OG SER B 72 -1.235 -0.510 10.423 1.00 0.00 O ATOM 0 H SER B 72 -0.541 1.389 13.798 1.00 0.00 H new ATOM 0 HA SER B 72 -1.063 -1.377 12.964 1.00 0.00 H new ATOM 0 HB2 SER B 72 -2.323 0.460 11.873 1.00 0.00 H new ATOM 0 HB3 SER B 72 -0.822 1.242 11.417 1.00 0.00 H new ATOM 0 HG SER B 72 -1.416 0.058 9.645 1.00 0.00 H new ATOM 1375 N THR B 73 1.099 -1.813 11.673 1.00 0.00 N ATOM 1376 CA THR B 73 2.440 -2.189 11.247 1.00 0.00 C ATOM 1377 C THR B 73 2.397 -3.084 10.013 1.00 0.00 C ATOM 1378 O THR B 73 2.438 -4.307 10.119 1.00 0.00 O ATOM 1379 CB THR B 73 3.204 -2.917 12.370 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.204 -2.119 13.559 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.639 -3.206 11.955 1.00 0.00 C ATOM 0 H THR B 73 0.367 -2.464 11.388 1.00 0.00 H new ATOM 0 HA THR B 73 2.963 -1.264 11.002 1.00 0.00 H new ATOM 0 HB THR B 73 2.700 -3.864 12.563 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.690 -2.589 14.268 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.156 -3.720 12.765 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.641 -3.837 11.066 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.150 -2.269 11.736 1.00 0.00 H new ATOM 1389 N TRP B 74 2.303 -2.463 8.843 1.00 0.00 N ATOM 1390 CA TRP B 74 2.264 -3.203 7.587 1.00 0.00 C ATOM 1391 C TRP B 74 3.679 -3.493 7.101 1.00 0.00 C ATOM 1392 O TRP B 74 4.402 -2.584 6.696 1.00 0.00 O ATOM 1393 CB TRP B 74 1.499 -2.415 6.523 1.00 0.00 C ATOM 1394 CG TRP B 74 0.154 -1.933 6.974 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.202 -0.646 7.250 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -1.017 -2.730 7.196 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.520 -0.591 7.629 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -2.042 -1.856 7.604 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -1.298 -4.093 7.090 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -3.325 -2.302 7.905 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.574 -4.535 7.390 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.574 -3.643 7.792 1.00 0.00 C ATOM 0 H TRP B 74 2.252 -1.450 8.738 1.00 0.00 H new ATOM 0 HA TRP B 74 1.748 -4.147 7.761 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.099 -1.557 6.220 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.372 -3.043 5.641 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.457 0.206 7.180 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -2.028 0.255 7.887 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.533 -4.790 6.780 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -4.097 -1.614 8.217 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -2.802 -5.588 7.312 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.561 -4.020 8.017 1.00 0.00 H new ATOM 1413 N ARG B 75 4.070 -4.762 7.141 1.00 0.00 N ATOM 1414 CA ARG B 75 5.408 -5.158 6.717 1.00 0.00 C ATOM 1415 C ARG B 75 5.380 -5.908 5.389 1.00 0.00 C ATOM 1416 O ARG B 75 4.513 -6.751 5.158 1.00 0.00 O ATOM 1417 CB ARG B 75 6.064 -6.030 7.786 1.00 0.00 C ATOM 1418 CG ARG B 75 6.097 -5.385 9.159 1.00 0.00 C ATOM 1419 CD ARG B 75 7.022 -6.135 10.101 1.00 0.00 C ATOM 1420 NE ARG B 75 7.089 -5.510 11.419 1.00 0.00 N ATOM 1421 CZ ARG B 75 7.827 -5.977 12.419 1.00 0.00 C ATOM 1422 NH1 ARG B 75 8.560 -7.071 12.254 1.00 0.00 N ATOM 1423 NH2 ARG B 75 7.835 -5.350 13.587 1.00 0.00 N ATOM 0 H ARG B 75 3.482 -5.531 7.461 1.00 0.00 H new ATOM 0 HA ARG B 75 5.991 -4.247 6.579 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.527 -6.976 7.851 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.083 -6.262 7.478 1.00 0.00 H new ATOM 0 HG2 ARG B 75 6.428 -4.350 9.069 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.090 -5.362 9.576 1.00 0.00 H new ATOM 0 HD2 ARG B 75 6.676 -7.163 10.205 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.022 -6.177 9.669 1.00 0.00 H new ATOM 0 HE ARG B 75 6.538 -4.667 11.581 1.00 0.00 H new ATOM 0 HH11 ARG B 75 8.558 -7.556 11.357 1.00 0.00 H new ATOM 0 HH12 ARG B 75 9.126 -7.427 13.025 1.00 0.00 H new ATOM 0 HH21 ARG B 75 7.274 -4.508 13.718 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.402 -5.709 14.355 1.00 0.00 H new ATOM 1437 N PHE B 76 6.332 -5.583 4.518 1.00 0.00 N ATOM 1438 CA PHE B 76 6.439 -6.230 3.211 1.00 0.00 C ATOM 1439 C PHE B 76 7.891 -6.233 2.732 1.00 0.00 C ATOM 1440 O PHE B 76 8.719 -5.462 3.221 1.00 0.00 O ATOM 1441 CB PHE B 76 5.558 -5.532 2.167 1.00 0.00 C ATOM 1442 CG PHE B 76 4.764 -4.372 2.692 1.00 0.00 C ATOM 1443 CD1 PHE B 76 5.353 -3.132 2.866 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.421 -4.522 3.001 1.00 0.00 C ATOM 1445 CE1 PHE B 76 4.619 -2.062 3.338 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.684 -3.458 3.476 1.00 0.00 C ATOM 1447 CZ PHE B 76 3.283 -2.225 3.645 1.00 0.00 C ATOM 0 H PHE B 76 7.043 -4.873 4.694 1.00 0.00 H new ATOM 0 HA PHE B 76 6.092 -7.257 3.326 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.192 -5.182 1.352 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.870 -6.264 1.744 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.399 -3.000 2.630 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.947 -5.483 2.868 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.090 -1.099 3.467 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.639 -3.589 3.716 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.707 -1.390 4.017 1.00 0.00 H new ATOM 1457 N ARG B 77 8.186 -7.103 1.769 1.00 0.00 N ATOM 1458 CA ARG B 77 9.534 -7.212 1.214 1.00 0.00 C ATOM 1459 C ARG B 77 9.482 -7.274 -0.308 1.00 0.00 C ATOM 1460 O ARG B 77 8.665 -7.992 -0.881 1.00 0.00 O ATOM 1461 CB ARG B 77 10.233 -8.457 1.769 1.00 0.00 C ATOM 1462 CG ARG B 77 11.740 -8.469 1.562 1.00 0.00 C ATOM 1463 CD ARG B 77 12.116 -8.915 0.160 1.00 0.00 C ATOM 1464 NE ARG B 77 11.579 -10.234 -0.157 1.00 0.00 N ATOM 1465 CZ ARG B 77 12.065 -11.018 -1.113 1.00 0.00 C ATOM 1466 NH1 ARG B 77 13.100 -10.619 -1.840 1.00 0.00 N ATOM 1467 NH2 ARG B 77 11.519 -12.205 -1.342 1.00 0.00 N ATOM 0 H ARG B 77 7.509 -7.744 1.356 1.00 0.00 H new ATOM 0 HA ARG B 77 10.101 -6.328 1.505 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.023 -8.533 2.836 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.805 -9.341 1.297 1.00 0.00 H new ATOM 0 HG2 ARG B 77 12.139 -7.471 1.745 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.201 -9.136 2.291 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.744 -8.189 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.202 -8.933 0.064 1.00 0.00 H new ATOM 0 HE ARG B 77 10.785 -10.573 0.386 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.525 -9.708 -1.666 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.471 -11.223 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG B 77 10.725 -12.517 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.894 -12.806 -2.076 1.00 0.00 H new ATOM 1481 N VAL B 78 10.365 -6.521 -0.959 1.00 0.00 N ATOM 1482 CA VAL B 78 10.412 -6.493 -2.417 1.00 0.00 C ATOM 1483 C VAL B 78 10.677 -7.884 -2.981 1.00 0.00 C ATOM 1484 O VAL B 78 11.786 -8.406 -2.879 1.00 0.00 O ATOM 1485 CB VAL B 78 11.498 -5.526 -2.928 1.00 0.00 C ATOM 1486 CG1 VAL B 78 11.496 -5.477 -4.448 1.00 0.00 C ATOM 1487 CG2 VAL B 78 11.289 -4.138 -2.345 1.00 0.00 C ATOM 0 H VAL B 78 11.055 -5.925 -0.502 1.00 0.00 H new ATOM 0 HA VAL B 78 9.438 -6.143 -2.760 1.00 0.00 H new ATOM 0 HB VAL B 78 12.471 -5.893 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL B 78 12.269 -4.789 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.694 -6.473 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL B 78 10.523 -5.134 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL B 78 12.064 -3.467 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL B 78 10.310 -3.762 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL B 78 11.342 -4.188 -1.257 1.00 0.00 H new ATOM 1497 N ALA B 79 9.649 -8.477 -3.580 1.00 0.00 N ATOM 1498 CA ALA B 79 9.764 -9.810 -4.158 1.00 0.00 C ATOM 1499 C ALA B 79 10.145 -9.746 -5.632 1.00 0.00 C ATOM 1500 O ALA B 79 11.051 -10.448 -6.078 1.00 0.00 O ATOM 1501 CB ALA B 79 8.458 -10.570 -3.985 1.00 0.00 C ATOM 0 H ALA B 79 8.726 -8.054 -3.677 1.00 0.00 H new ATOM 0 HA ALA B 79 10.558 -10.338 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.555 -11.564 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.227 -10.660 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.654 -10.031 -4.487 1.00 0.00 H new ATOM 1507 N ALA B 80 9.447 -8.902 -6.383 1.00 0.00 N ATOM 1508 CA ALA B 80 9.711 -8.750 -7.809 1.00 0.00 C ATOM 1509 C ALA B 80 9.490 -7.312 -8.259 1.00 0.00 C ATOM 1510 O ALA B 80 8.992 -6.483 -7.499 1.00 0.00 O ATOM 1511 CB ALA B 80 8.833 -9.695 -8.610 1.00 0.00 C ATOM 0 H ALA B 80 8.694 -8.312 -6.028 1.00 0.00 H new ATOM 0 HA ALA B 80 10.756 -9.002 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA B 80 9.040 -9.571 -9.673 1.00 0.00 H new ATOM 0 HB2 ALA B 80 9.043 -10.724 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.784 -9.470 -8.416 1.00 0.00 H new ATOM 1517 N SER B 81 9.863 -7.023 -9.501 1.00 0.00 N ATOM 1518 CA SER B 81 9.707 -5.699 -10.060 1.00 0.00 C ATOM 1519 C SER B 81 8.236 -5.373 -10.269 1.00 0.00 C ATOM 1520 O SER B 81 7.357 -6.052 -9.745 1.00 0.00 O ATOM 1521 CB SER B 81 10.459 -5.604 -11.384 1.00 0.00 C ATOM 1522 OG SER B 81 9.765 -6.284 -12.414 1.00 0.00 O ATOM 0 H SER B 81 10.279 -7.701 -10.140 1.00 0.00 H new ATOM 0 HA SER B 81 10.122 -4.975 -9.359 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.588 -4.557 -11.658 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.456 -6.029 -11.271 1.00 0.00 H new ATOM 0 HG SER B 81 10.266 -6.207 -13.252 1.00 0.00 H new ATOM 1528 N GLY B 82 7.985 -4.334 -11.048 1.00 0.00 N ATOM 1529 CA GLY B 82 6.621 -3.920 -11.324 1.00 0.00 C ATOM 1530 C GLY B 82 6.300 -2.554 -10.758 1.00 0.00 C ATOM 1531 O GLY B 82 6.972 -2.080 -9.842 1.00 0.00 O ATOM 0 H GLY B 82 8.703 -3.766 -11.497 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.460 -3.909 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.931 -4.653 -10.906 1.00 0.00 H new ATOM 1535 N ASP B 83 5.269 -1.919 -11.304 1.00 0.00 N ATOM 1536 CA ASP B 83 4.853 -0.603 -10.857 1.00 0.00 C ATOM 1537 C ASP B 83 3.507 -0.666 -10.140 1.00 0.00 C ATOM 1538 O ASP B 83 2.477 -0.944 -10.753 1.00 0.00 O ATOM 1539 CB ASP B 83 4.762 0.343 -12.048 1.00 0.00 C ATOM 1540 CG ASP B 83 4.008 -0.262 -13.213 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.632 -0.995 -14.007 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.790 -0.005 -13.332 1.00 0.00 O ATOM 0 H ASP B 83 4.705 -2.302 -12.063 1.00 0.00 H new ATOM 0 HA ASP B 83 5.597 -0.231 -10.153 1.00 0.00 H new ATOM 0 HB2 ASP B 83 4.268 1.264 -11.739 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.767 0.613 -12.371 1.00 0.00 H new ATOM 1547 N ASP B 84 3.527 -0.408 -8.838 1.00 0.00 N ATOM 1548 CA ASP B 84 2.312 -0.430 -8.033 1.00 0.00 C ATOM 1549 C ASP B 84 2.152 0.869 -7.252 1.00 0.00 C ATOM 1550 O ASP B 84 2.854 1.846 -7.504 1.00 0.00 O ATOM 1551 CB ASP B 84 2.328 -1.620 -7.076 1.00 0.00 C ATOM 1552 CG ASP B 84 2.050 -2.930 -7.783 1.00 0.00 C ATOM 1553 OD1 ASP B 84 1.132 -3.657 -7.348 1.00 0.00 O ATOM 1554 OD2 ASP B 84 2.744 -3.226 -8.777 1.00 0.00 O ATOM 0 H ASP B 84 4.373 -0.181 -8.316 1.00 0.00 H new ATOM 0 HA ASP B 84 1.462 -0.531 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.299 -1.674 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.583 -1.466 -6.295 1.00 0.00 H new ATOM 1559 N ARG B 85 1.222 0.873 -6.303 1.00 0.00 N ATOM 1560 CA ARG B 85 0.964 2.048 -5.491 1.00 0.00 C ATOM 1561 C ARG B 85 0.199 1.673 -4.224 1.00 0.00 C ATOM 1562 O ARG B 85 -0.943 1.218 -4.293 1.00 0.00 O ATOM 1563 CB ARG B 85 0.165 3.066 -6.299 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.249 4.283 -5.497 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.081 5.245 -6.330 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.494 6.416 -5.562 1.00 0.00 N ATOM 1567 CZ ARG B 85 -2.280 7.372 -6.042 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.739 7.298 -7.283 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -2.610 8.404 -5.280 1.00 0.00 N ATOM 0 H ARG B 85 0.634 0.070 -6.080 1.00 0.00 H new ATOM 0 HA ARG B 85 1.919 2.485 -5.199 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.761 3.389 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.727 2.582 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.821 3.967 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.639 4.795 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.505 5.565 -7.198 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.964 4.728 -6.707 1.00 0.00 H new ATOM 0 HE ARG B 85 -1.160 6.505 -4.602 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.489 6.504 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.343 8.035 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -2.260 8.464 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -3.214 9.138 -5.649 1.00 0.00 H new ATOM 1583 N LEU B 86 0.828 1.867 -3.069 1.00 0.00 N ATOM 1584 CA LEU B 86 0.189 1.547 -1.798 1.00 0.00 C ATOM 1585 C LEU B 86 -1.046 2.410 -1.584 1.00 0.00 C ATOM 1586 O LEU B 86 -1.016 3.619 -1.817 1.00 0.00 O ATOM 1587 CB LEU B 86 1.167 1.735 -0.635 1.00 0.00 C ATOM 1588 CG LEU B 86 1.768 0.444 -0.072 1.00 0.00 C ATOM 1589 CD1 LEU B 86 2.625 0.745 1.144 1.00 0.00 C ATOM 1590 CD2 LEU B 86 0.674 -0.546 0.291 1.00 0.00 C ATOM 0 H LEU B 86 1.773 2.242 -2.987 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.116 0.501 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU B 86 1.980 2.381 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.652 2.258 0.171 1.00 0.00 H new ATOM 0 HG LEU B 86 2.396 -0.003 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.045 -0.183 1.532 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.434 1.419 0.861 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.013 1.216 1.913 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.124 -1.456 0.689 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.020 -0.106 1.043 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.092 -0.788 -0.599 1.00 0.00 H new ATOM 1602 N GLU B 87 -2.128 1.782 -1.135 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.381 2.489 -0.898 1.00 0.00 C ATOM 1604 C GLU B 87 -4.012 2.055 0.418 1.00 0.00 C ATOM 1605 O GLU B 87 -4.461 0.919 0.555 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.360 2.232 -2.047 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.770 2.494 -3.422 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.829 2.573 -4.504 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.146 1.525 -5.101 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.336 3.685 -4.755 1.00 0.00 O ATOM 0 H GLU B 87 -2.162 0.784 -0.928 1.00 0.00 H new ATOM 0 HA GLU B 87 -3.160 3.555 -0.843 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.700 1.198 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.239 2.863 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.207 3.427 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.063 1.701 -3.667 1.00 0.00 H new ATOM 1617 N LEU B 88 -4.039 2.964 1.387 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.628 2.677 2.691 1.00 0.00 C ATOM 1619 C LEU B 88 -5.523 3.826 3.135 1.00 0.00 C ATOM 1620 O LEU B 88 -5.511 4.898 2.536 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.541 2.440 3.742 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.559 1.309 3.433 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.435 1.805 2.536 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.998 0.731 4.721 1.00 0.00 C ATOM 0 H LEU B 88 -3.660 3.906 1.294 1.00 0.00 H new ATOM 0 HA LEU B 88 -5.226 1.771 2.595 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.976 3.363 3.869 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.023 2.228 4.696 1.00 0.00 H new ATOM 0 HG LEU B 88 -3.095 0.521 2.904 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.747 0.986 2.328 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.853 2.175 1.600 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.898 2.611 3.037 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.301 -0.073 4.486 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -1.477 1.513 5.274 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.813 0.338 5.329 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.302 3.593 4.187 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.198 4.616 4.717 1.00 0.00 C ATOM 1638 C VAL B 89 -7.377 4.458 6.222 1.00 0.00 C ATOM 1639 O VAL B 89 -7.590 3.351 6.718 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.584 4.574 4.044 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.504 5.073 2.611 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.165 3.170 4.095 1.00 0.00 C ATOM 0 H VAL B 89 -6.331 2.706 4.689 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.732 5.577 4.500 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.250 5.237 4.596 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.494 5.034 2.156 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.141 6.101 2.603 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.819 4.442 2.044 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.143 3.163 3.614 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.500 2.482 3.573 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.269 2.857 5.134 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.286 5.569 6.941 1.00 0.00 N ATOM 1653 CA TYR B 90 -7.443 5.559 8.389 1.00 0.00 C ATOM 1654 C TYR B 90 -8.916 5.704 8.766 1.00 0.00 C ATOM 1655 O TYR B 90 -9.396 6.808 9.016 1.00 0.00 O ATOM 1656 CB TYR B 90 -6.617 6.687 9.016 1.00 0.00 C ATOM 1657 CG TYR B 90 -6.649 6.715 10.527 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -6.903 7.896 11.209 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -6.426 5.562 11.270 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -6.933 7.929 12.591 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -6.455 5.589 12.651 1.00 0.00 C ATOM 1662 CZ TYR B 90 -6.708 6.774 13.305 1.00 0.00 C ATOM 1663 OH TYR B 90 -6.737 6.802 14.679 1.00 0.00 O ATOM 0 H TYR B 90 -7.104 6.491 6.544 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.082 4.605 8.774 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -5.582 6.589 8.688 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -6.982 7.642 8.639 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -7.080 8.804 10.652 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.227 4.631 10.760 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -7.132 8.856 13.108 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.280 4.685 13.215 1.00 0.00 H new ATOM 0 HH TYR B 90 -6.560 5.904 15.028 1.00 0.00 H new ATOM 1673 N ARG B 91 -9.628 4.582 8.792 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.049 4.582 9.120 1.00 0.00 C ATOM 1675 C ARG B 91 -11.413 3.397 10.010 1.00 0.00 C ATOM 1676 O ARG B 91 -10.541 2.658 10.461 1.00 0.00 O ATOM 1677 CB ARG B 91 -11.883 4.541 7.840 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.650 3.297 7.002 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.392 3.373 5.681 1.00 0.00 C ATOM 1680 NE ARG B 91 -13.836 3.474 5.868 1.00 0.00 N ATOM 1681 CZ ARG B 91 -14.709 3.527 4.867 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.284 3.487 3.612 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -16.004 3.620 5.119 1.00 0.00 N ATOM 0 H ARG B 91 -9.243 3.659 8.589 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.266 5.499 9.667 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -12.939 4.599 8.103 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -11.655 5.421 7.239 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.583 3.177 6.815 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.978 2.417 7.555 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -12.039 4.236 5.116 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.165 2.488 5.087 1.00 0.00 H new ATOM 0 HE ARG B 91 -14.196 3.506 6.822 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -13.286 3.415 3.414 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.955 3.528 2.845 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -16.335 3.651 6.083 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -16.672 3.661 4.349 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.710 3.225 10.252 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.195 2.127 11.080 1.00 0.00 C ATOM 1699 C ARG B 92 -13.517 0.906 10.218 1.00 0.00 C ATOM 1700 O ARG B 92 -13.875 1.044 9.049 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.432 2.563 11.870 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.207 3.813 12.705 1.00 0.00 C ATOM 1703 CD ARG B 92 -15.340 4.036 13.693 1.00 0.00 C ATOM 1704 NE ARG B 92 -15.112 5.204 14.537 1.00 0.00 N ATOM 1705 CZ ARG B 92 -16.083 5.867 15.156 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -17.346 5.480 15.021 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -15.795 6.916 15.910 1.00 0.00 N ATOM 0 H ARG B 92 -13.443 3.832 9.886 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.410 1.853 11.785 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.253 2.742 11.175 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.741 1.748 12.525 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.264 3.726 13.245 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.120 4.679 12.049 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.276 4.160 13.148 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -15.452 3.152 14.321 1.00 0.00 H new ATOM 0 HE ARG B 92 -14.153 5.530 14.659 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -17.573 4.672 14.441 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -18.090 5.991 15.497 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -14.826 7.217 16.017 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -16.542 7.424 16.384 1.00 0.00 H new ATOM 1721 N PRO B 93 -13.396 -0.308 10.786 1.00 0.00 N ATOM 1722 CA PRO B 93 -13.657 -1.554 10.063 1.00 0.00 C ATOM 1723 C PRO B 93 -15.141 -1.823 9.830 1.00 0.00 C ATOM 1724 O PRO B 93 -15.506 -2.562 8.917 1.00 0.00 O ATOM 1725 CB PRO B 93 -13.067 -2.642 10.977 1.00 0.00 C ATOM 1726 CG PRO B 93 -12.352 -1.918 12.073 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.993 -0.568 12.171 1.00 0.00 C ATOM 0 HA PRO B 93 -13.219 -1.520 9.065 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -13.853 -3.281 11.380 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -12.383 -3.287 10.425 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -12.437 -2.458 13.016 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -11.289 -1.829 11.851 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.847 -0.572 12.848 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -12.297 0.186 12.540 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.997 -1.226 10.652 1.00 0.00 N ATOM 1736 CA TRP B 94 -17.438 -1.430 10.527 1.00 0.00 C ATOM 1737 C TRP B 94 -18.102 -0.289 9.768 1.00 0.00 C ATOM 1738 O TRP B 94 -19.268 0.028 10.001 1.00 0.00 O ATOM 1739 CB TRP B 94 -18.071 -1.584 11.909 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.780 -0.443 12.832 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -18.395 0.776 12.848 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.806 -0.414 13.880 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.859 1.560 13.839 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.882 0.852 14.486 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.876 -1.337 14.362 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.065 1.217 15.551 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -15.062 -0.973 15.419 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.163 0.296 16.004 1.00 0.00 C ATOM 0 H TRP B 94 -15.722 -0.600 11.409 1.00 0.00 H new ATOM 0 HA TRP B 94 -17.596 -2.345 9.956 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -19.151 -1.683 11.796 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -17.712 -2.508 12.363 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -19.187 1.079 12.179 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -18.143 2.515 14.058 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -15.794 -2.318 13.917 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.141 2.194 16.004 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -14.337 -1.678 15.799 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.515 0.551 16.829 1.00 0.00 H new ATOM 1759 N GLU B 95 -17.360 0.320 8.849 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.887 1.424 8.058 1.00 0.00 C ATOM 1761 C GLU B 95 -17.679 1.172 6.568 1.00 0.00 C ATOM 1762 O GLU B 95 -16.546 1.108 6.093 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.219 2.736 8.469 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.408 3.074 9.933 1.00 0.00 C ATOM 1765 CD GLU B 95 -18.816 3.542 10.246 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.670 2.689 10.566 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -19.063 4.763 10.173 1.00 0.00 O ATOM 0 H GLU B 95 -16.395 0.068 8.635 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.958 1.498 8.247 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.152 2.676 8.252 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.622 3.546 7.862 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.178 2.197 10.537 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.699 3.852 10.217 1.00 0.00 H new ATOM 1774 N LYS B 96 -18.782 1.031 5.839 1.00 0.00 N ATOM 1775 CA LYS B 96 -18.724 0.783 4.407 1.00 0.00 C ATOM 1776 C LYS B 96 -18.218 2.010 3.657 1.00 0.00 C ATOM 1777 O LYS B 96 -17.172 1.968 3.010 1.00 0.00 O ATOM 1778 CB LYS B 96 -20.101 0.383 3.881 1.00 0.00 C ATOM 1779 CG LYS B 96 -20.639 -0.888 4.512 1.00 0.00 C ATOM 1780 CD LYS B 96 -21.681 -1.545 3.628 1.00 0.00 C ATOM 1781 CE LYS B 96 -22.243 -2.804 4.266 1.00 0.00 C ATOM 1782 NZ LYS B 96 -22.893 -2.522 5.574 1.00 0.00 N ATOM 0 H LYS B 96 -19.727 1.085 6.219 1.00 0.00 H new ATOM 0 HA LYS B 96 -18.025 -0.036 4.237 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -20.803 1.197 4.065 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -20.045 0.248 2.801 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -19.819 -1.584 4.689 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -21.077 -0.657 5.483 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -22.491 -0.842 3.435 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -21.237 -1.792 2.664 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -22.968 -3.260 3.592 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -21.441 -3.528 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -23.463 -3.343 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -22.163 -2.338 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -23.508 -1.688 5.484 1.00 0.00 H new ATOM 1796 N ASP B 97 -18.966 3.105 3.752 1.00 0.00 N ATOM 1797 CA ASP B 97 -18.590 4.343 3.081 1.00 0.00 C ATOM 1798 C ASP B 97 -18.800 5.544 3.997 1.00 0.00 C ATOM 1799 O ASP B 97 -19.907 6.070 4.103 1.00 0.00 O ATOM 1800 CB ASP B 97 -19.403 4.519 1.797 1.00 0.00 C ATOM 1801 CG ASP B 97 -19.194 3.379 0.822 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -18.270 3.476 -0.013 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -19.953 2.391 0.893 1.00 0.00 O ATOM 0 H ASP B 97 -19.834 3.160 4.286 1.00 0.00 H new ATOM 0 HA ASP B 97 -17.532 4.282 2.828 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -20.462 4.590 2.047 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -19.124 5.458 1.319 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.728 5.970 4.659 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.791 7.111 5.561 1.00 0.00 C ATOM 1810 C ALA B 98 -16.467 7.867 5.576 1.00 0.00 C ATOM 1811 O ALA B 98 -15.402 7.269 5.728 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.155 6.654 6.964 1.00 0.00 C ATOM 0 H ALA B 98 -16.806 5.541 4.586 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.565 7.789 5.200 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.199 7.517 7.628 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -19.127 6.161 6.945 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.401 5.955 7.326 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.539 9.184 5.412 1.00 0.00 N ATOM 1819 CA GLU B 99 -15.345 10.020 5.406 1.00 0.00 C ATOM 1820 C GLU B 99 -14.504 9.779 6.654 1.00 0.00 C ATOM 1821 O GLU B 99 -14.980 9.950 7.776 1.00 0.00 O ATOM 1822 CB GLU B 99 -15.729 11.496 5.309 1.00 0.00 C ATOM 1823 CG GLU B 99 -16.165 11.907 3.917 1.00 0.00 C ATOM 1824 CD GLU B 99 -16.370 13.403 3.787 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -15.399 14.106 3.436 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -17.501 13.871 4.037 1.00 0.00 O ATOM 0 H GLU B 99 -17.412 9.695 5.281 1.00 0.00 H new ATOM 0 HA GLU B 99 -14.749 9.751 4.534 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -16.536 11.702 6.012 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -14.879 12.107 5.612 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -15.415 11.583 3.195 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.093 11.394 3.665 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.232 9.374 6.477 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.324 9.096 7.574 1.00 0.00 C ATOM 1835 C PRO B 100 -11.457 10.293 7.943 1.00 0.00 C ATOM 1836 O PRO B 100 -11.585 11.370 7.363 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.465 7.969 7.008 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.502 8.130 5.514 1.00 0.00 C ATOM 1839 CD PRO B 100 -12.570 9.149 5.188 1.00 0.00 C ATOM 0 HA PRO B 100 -12.851 8.847 8.495 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.443 8.032 7.382 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.854 6.995 7.305 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -10.532 8.459 5.141 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -11.722 7.178 5.032 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.140 10.069 4.792 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.267 8.774 4.439 1.00 0.00 H new ATOM 1847 N ALA B 101 -10.573 10.092 8.915 1.00 0.00 N ATOM 1848 CA ALA B 101 -9.676 11.148 9.365 1.00 0.00 C ATOM 1849 C ALA B 101 -8.523 11.325 8.390 1.00 0.00 C ATOM 1850 O ALA B 101 -8.434 12.334 7.690 1.00 0.00 O ATOM 1851 CB ALA B 101 -9.154 10.840 10.757 1.00 0.00 C ATOM 0 H ALA B 101 -10.459 9.205 9.406 1.00 0.00 H new ATOM 0 HA ALA B 101 -10.236 12.082 9.403 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -8.485 11.638 11.080 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -9.991 10.765 11.451 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -8.610 9.895 10.741 1.00 0.00 H new ATOM 1857 N GLU B 102 -7.641 10.335 8.350 1.00 0.00 N ATOM 1858 CA GLU B 102 -6.494 10.372 7.456 1.00 0.00 C ATOM 1859 C GLU B 102 -6.744 9.544 6.211 1.00 0.00 C ATOM 1860 O GLU B 102 -7.858 9.085 5.962 1.00 0.00 O ATOM 1861 CB GLU B 102 -5.236 9.848 8.149 1.00 0.00 C ATOM 1862 CG GLU B 102 -4.375 10.930 8.762 1.00 0.00 C ATOM 1863 CD GLU B 102 -4.172 12.117 7.842 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -4.950 13.087 7.945 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -3.234 12.076 7.020 1.00 0.00 O ATOM 0 H GLU B 102 -7.699 9.496 8.927 1.00 0.00 H new ATOM 0 HA GLU B 102 -6.345 11.415 7.175 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -5.529 9.146 8.929 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -4.641 9.290 7.426 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -4.835 11.271 9.690 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -3.404 10.510 9.023 1.00 0.00 H new ATOM 1872 N SER B 103 -5.680 9.353 5.448 1.00 0.00 N ATOM 1873 CA SER B 103 -5.735 8.577 4.216 1.00 0.00 C ATOM 1874 C SER B 103 -4.326 8.283 3.720 1.00 0.00 C ATOM 1875 O SER B 103 -3.380 8.993 4.057 1.00 0.00 O ATOM 1876 CB SER B 103 -6.517 9.318 3.132 1.00 0.00 C ATOM 1877 OG SER B 103 -7.828 9.637 3.562 1.00 0.00 O ATOM 0 H SER B 103 -4.756 9.729 5.662 1.00 0.00 H new ATOM 0 HA SER B 103 -6.248 7.640 4.431 1.00 0.00 H new ATOM 0 HB2 SER B 103 -5.989 10.233 2.862 1.00 0.00 H new ATOM 0 HB3 SER B 103 -6.568 8.703 2.234 1.00 0.00 H new ATOM 0 HG SER B 103 -8.064 9.080 4.333 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.192 7.239 2.914 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.891 6.855 2.380 1.00 0.00 C ATOM 1885 C PHE B 104 -2.987 6.444 0.918 1.00 0.00 C ATOM 1886 O PHE B 104 -3.933 5.771 0.508 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.299 5.714 3.206 1.00 0.00 C ATOM 1888 CG PHE B 104 -1.525 6.179 4.401 1.00 0.00 C ATOM 1889 CD1 PHE B 104 -2.178 6.631 5.535 1.00 0.00 C ATOM 1890 CD2 PHE B 104 -0.141 6.163 4.389 1.00 0.00 C ATOM 1891 CE1 PHE B 104 -1.463 7.057 6.636 1.00 0.00 C ATOM 1892 CE2 PHE B 104 0.578 6.589 5.485 1.00 0.00 C ATOM 1893 CZ PHE B 104 -0.082 7.037 6.610 1.00 0.00 C ATOM 0 H PHE B 104 -4.965 6.644 2.616 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.236 7.724 2.442 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -3.105 5.060 3.538 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -1.646 5.117 2.570 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -3.258 6.650 5.558 1.00 0.00 H new ATOM 0 HD2 PHE B 104 0.381 5.813 3.511 1.00 0.00 H new ATOM 0 HE1 PHE B 104 -1.982 7.405 7.516 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.658 6.572 5.463 1.00 0.00 H new ATOM 0 HZ PHE B 104 0.480 7.372 7.469 1.00 0.00 H new ATOM 1903 N SER B 105 -1.994 6.855 0.139 1.00 0.00 N ATOM 1904 CA SER B 105 -1.941 6.538 -1.282 1.00 0.00 C ATOM 1905 C SER B 105 -0.628 7.019 -1.887 1.00 0.00 C ATOM 1906 O SER B 105 -0.564 8.102 -2.469 1.00 0.00 O ATOM 1907 CB SER B 105 -3.122 7.175 -2.016 1.00 0.00 C ATOM 1908 OG SER B 105 -3.118 8.582 -1.866 1.00 0.00 O ATOM 0 H SER B 105 -1.208 7.414 0.472 1.00 0.00 H new ATOM 0 HA SER B 105 -2.002 5.455 -1.394 1.00 0.00 H new ATOM 0 HB2 SER B 105 -3.077 6.919 -3.075 1.00 0.00 H new ATOM 0 HB3 SER B 105 -4.056 6.768 -1.630 1.00 0.00 H new ATOM 0 HG SER B 105 -2.221 8.928 -2.054 1.00 0.00 H new ATOM 1914 N CYS B 106 0.421 6.216 -1.738 1.00 0.00 N ATOM 1915 CA CYS B 106 1.733 6.576 -2.267 1.00 0.00 C ATOM 1916 C CYS B 106 2.170 5.622 -3.369 1.00 0.00 C ATOM 1917 O CYS B 106 1.873 4.429 -3.331 1.00 0.00 O ATOM 1918 CB CYS B 106 2.784 6.587 -1.154 1.00 0.00 C ATOM 1919 SG CYS B 106 2.592 7.932 0.064 1.00 0.00 S ATOM 0 H CYS B 106 0.389 5.316 -1.258 1.00 0.00 H new ATOM 0 HA CYS B 106 1.646 7.577 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.748 5.632 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.772 6.664 -1.607 1.00 0.00 H new ATOM 1924 N ALA B 107 2.886 6.162 -4.351 1.00 0.00 N ATOM 1925 CA ALA B 107 3.374 5.369 -5.472 1.00 0.00 C ATOM 1926 C ALA B 107 4.587 4.536 -5.072 1.00 0.00 C ATOM 1927 O ALA B 107 5.424 4.975 -4.285 1.00 0.00 O ATOM 1928 CB ALA B 107 3.715 6.271 -6.646 1.00 0.00 C ATOM 0 H ALA B 107 3.141 7.149 -4.392 1.00 0.00 H new ATOM 0 HA ALA B 107 2.581 4.684 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.078 5.666 -7.476 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.824 6.816 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.488 6.979 -6.348 1.00 0.00 H new ATOM 1934 N ILE B 108 4.672 3.332 -5.628 1.00 0.00 N ATOM 1935 CA ILE B 108 5.773 2.419 -5.338 1.00 0.00 C ATOM 1936 C ILE B 108 6.100 1.567 -6.558 1.00 0.00 C ATOM 1937 O ILE B 108 5.261 0.807 -7.033 1.00 0.00 O ATOM 1938 CB ILE B 108 5.440 1.485 -4.158 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.166 2.299 -2.891 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.575 0.496 -3.926 1.00 0.00 C ATOM 1941 CD1 ILE B 108 4.795 1.454 -1.692 1.00 0.00 C ATOM 0 H ILE B 108 3.986 2.963 -6.287 1.00 0.00 H new ATOM 0 HA ILE B 108 6.633 3.033 -5.072 1.00 0.00 H new ATOM 0 HB ILE B 108 4.540 0.923 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.051 2.887 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.359 3.004 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.324 -0.156 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.723 -0.105 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.492 1.041 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE B 108 4.616 2.100 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE B 108 3.892 0.885 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.610 0.767 -1.465 1.00 0.00 H new ATOM 1953 N GLN B 109 7.323 1.694 -7.056 1.00 0.00 N ATOM 1954 CA GLN B 109 7.749 0.929 -8.220 1.00 0.00 C ATOM 1955 C GLN B 109 9.077 0.230 -7.956 1.00 0.00 C ATOM 1956 O GLN B 109 9.790 0.564 -7.010 1.00 0.00 O ATOM 1957 CB GLN B 109 7.873 1.842 -9.441 1.00 0.00 C ATOM 1958 CG GLN B 109 6.567 2.511 -9.833 1.00 0.00 C ATOM 1959 CD GLN B 109 6.694 3.345 -11.092 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.507 3.049 -11.966 1.00 0.00 O ATOM 1961 NE2 GLN B 109 5.888 4.395 -11.188 1.00 0.00 N ATOM 0 H GLN B 109 8.035 2.317 -6.674 1.00 0.00 H new ATOM 0 HA GLN B 109 6.993 0.169 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.618 2.610 -9.236 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.241 1.259 -10.285 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.803 1.748 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.228 3.145 -9.014 1.00 0.00 H new ATOM 0 HE21 GLN B 109 5.229 4.602 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.928 4.995 -12.012 1.00 0.00 H new ATOM 1970 N VAL B 110 9.400 -0.745 -8.797 1.00 0.00 N ATOM 1971 CA VAL B 110 10.642 -1.492 -8.664 1.00 0.00 C ATOM 1972 C VAL B 110 11.340 -1.622 -10.011 1.00 0.00 C ATOM 1973 O VAL B 110 10.705 -1.511 -11.060 1.00 0.00 O ATOM 1974 CB VAL B 110 10.394 -2.900 -8.082 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.710 -3.606 -7.796 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.552 -2.816 -6.823 1.00 0.00 C ATOM 0 H VAL B 110 8.816 -1.037 -9.581 1.00 0.00 H new ATOM 0 HA VAL B 110 11.280 -0.936 -7.977 1.00 0.00 H new ATOM 0 HB VAL B 110 9.849 -3.483 -8.824 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.510 -4.596 -7.387 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.279 -3.704 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.286 -3.025 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.388 -3.818 -6.427 1.00 0.00 H new ATOM 0 HG22 VAL B 110 10.071 -2.212 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.592 -2.357 -7.058 1.00 0.00 H new ATOM 1986 N ARG B 111 12.649 -1.851 -9.974 1.00 0.00 N ATOM 1987 CA ARG B 111 13.441 -1.999 -11.190 1.00 0.00 C ATOM 1988 C ARG B 111 13.456 -0.704 -11.995 1.00 0.00 C ATOM 1989 O ARG B 111 12.549 -0.521 -12.834 1.00 0.00 O ATOM 1990 CB ARG B 111 12.897 -3.137 -12.047 1.00 0.00 C ATOM 1991 CG ARG B 111 13.895 -3.648 -13.057 1.00 0.00 C ATOM 1992 CD ARG B 111 15.020 -4.374 -12.365 1.00 0.00 C ATOM 1993 NE ARG B 111 16.030 -4.856 -13.301 1.00 0.00 N ATOM 1994 CZ ARG B 111 17.142 -5.483 -12.929 1.00 0.00 C ATOM 1995 NH1 ARG B 111 17.384 -5.704 -11.644 1.00 0.00 N ATOM 1996 NH2 ARG B 111 18.011 -5.892 -13.842 1.00 0.00 N ATOM 1997 OXT ARG B 111 14.371 0.117 -11.776 1.00 0.00 O ATOM 0 H ARG B 111 13.186 -1.938 -9.111 1.00 0.00 H new ATOM 0 HA ARG B 111 14.464 -2.234 -10.895 1.00 0.00 H new ATOM 0 HB2 ARG B 111 12.593 -3.959 -11.398 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.003 -2.795 -12.569 1.00 0.00 H new ATOM 0 HG2 ARG B 111 13.400 -4.318 -13.760 1.00 0.00 H new ATOM 0 HG3 ARG B 111 14.294 -2.816 -13.637 1.00 0.00 H new ATOM 0 HD2 ARG B 111 15.488 -3.707 -11.641 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.615 -5.217 -11.806 1.00 0.00 H new ATOM 0 HE ARG B 111 15.874 -4.703 -14.297 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.716 -5.393 -10.938 1.00 0.00 H new ATOM 0 HH12 ARG B 111 18.238 -6.185 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG B 111 17.827 -5.726 -14.831 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.864 -6.373 -13.555 1.00 0.00 H new TER 2011 ARG B 111