USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 HIS : no HD1:sc= 0 X(o=0.21,f=0.096) USER MOD Set 1.2: A 9 SER OG : rot 48:sc= 0.213 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.923 (180deg=-0.0713!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.099) USER MOD Single : A 6 HIS : no HD1:sc=-0.000846 X(o=-0.00085,f=-0.00085) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HE2:sc= -0.123 K(o=-0.12,f=-2.3) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.91) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -110:sc= 0.0444 USER MOD Single : A 41 SER OG : rot 180:sc= 0.136 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 68:sc= -0.732! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=1) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0153) USER MOD Single : A 57 HIS : no HD1:sc= -0.535 K(o=-0.54,f=-0.024) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 60 THR OG1 : rot 130:sc= 0 USER MOD Single : A 61 TYR OH : rot 93:sc= 0.28 USER MOD Single : A 74 GLN : amide:sc= 0.167 K(o=0.17,f=-3.3!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 76 SER OG : rot 1:sc= 0.687 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 85 GLN : amide:sc= 0.126 K(o=0.13,f=0.71) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -120:sc= -0.51 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -1.99! C(o=-2!,f=-7.9!) USER MOD Single : A 99 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.34) USER MOD Single : A 103 CYS SG : rot 80:sc= -4.4! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.813 5.740 -35.758 1.00 0.00 N ATOM 2 CA MET A 1 -23.010 5.341 -34.990 1.00 0.00 C ATOM 3 C MET A 1 -22.568 4.443 -33.819 1.00 0.00 C ATOM 4 O MET A 1 -22.178 3.285 -34.035 1.00 0.00 O ATOM 5 CB MET A 1 -24.032 4.601 -35.905 1.00 0.00 C ATOM 6 CG MET A 1 -24.444 5.362 -37.177 1.00 0.00 C ATOM 7 SD MET A 1 -23.071 5.584 -38.336 1.00 0.00 S ATOM 8 CE MET A 1 -23.858 6.468 -39.684 1.00 0.00 C ATOM 0 H1 MET A 1 -22.081 5.932 -36.744 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.401 6.598 -35.338 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.113 4.972 -35.733 1.00 0.00 H new ATOM 0 HA MET A 1 -23.508 6.229 -34.599 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.605 3.642 -36.197 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.928 4.387 -35.323 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.249 4.821 -37.674 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.840 6.339 -36.899 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.125 6.668 -40.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.667 5.863 -40.092 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.261 7.411 -39.315 1.00 0.00 H new ATOM 20 N GLY A 2 -22.605 4.982 -32.590 1.00 0.00 N ATOM 21 CA GLY A 2 -22.145 4.253 -31.402 1.00 0.00 C ATOM 22 C GLY A 2 -23.032 4.488 -30.189 1.00 0.00 C ATOM 23 O GLY A 2 -23.525 5.605 -29.982 1.00 0.00 O ATOM 0 H GLY A 2 -22.950 5.922 -32.395 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -22.116 3.186 -31.624 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -21.125 4.558 -31.166 1.00 0.00 H new ATOM 27 N HIS A 3 -23.230 3.419 -29.391 1.00 0.00 N ATOM 28 CA HIS A 3 -24.022 3.445 -28.138 1.00 0.00 C ATOM 29 C HIS A 3 -23.111 3.905 -26.970 1.00 0.00 C ATOM 30 O HIS A 3 -22.102 4.592 -27.194 1.00 0.00 O ATOM 31 CB HIS A 3 -24.598 2.021 -27.849 1.00 0.00 C ATOM 32 CG HIS A 3 -25.377 1.401 -28.978 1.00 0.00 C ATOM 33 ND1 HIS A 3 -26.738 1.546 -29.126 1.00 0.00 N ATOM 34 CD2 HIS A 3 -24.974 0.632 -30.012 1.00 0.00 C ATOM 35 CE1 HIS A 3 -27.138 0.892 -30.198 1.00 0.00 C ATOM 36 NE2 HIS A 3 -26.085 0.330 -30.756 1.00 0.00 N ATOM 0 H HIS A 3 -22.840 2.500 -29.599 1.00 0.00 H new ATOM 0 HA HIS A 3 -24.853 4.143 -28.240 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -23.772 1.358 -27.593 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -25.244 2.079 -26.973 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -23.962 0.313 -30.216 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -28.154 0.828 -30.557 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -26.095 -0.237 -31.604 1.00 0.00 H new ATOM 45 N HIS A 4 -23.488 3.560 -25.724 1.00 0.00 N ATOM 46 CA HIS A 4 -22.568 3.651 -24.576 1.00 0.00 C ATOM 47 C HIS A 4 -21.559 2.480 -24.666 1.00 0.00 C ATOM 48 O HIS A 4 -21.965 1.327 -24.839 1.00 0.00 O ATOM 49 CB HIS A 4 -23.344 3.664 -23.217 1.00 0.00 C ATOM 50 CG HIS A 4 -24.190 2.445 -22.912 1.00 0.00 C ATOM 51 ND1 HIS A 4 -25.554 2.408 -23.105 1.00 0.00 N ATOM 52 CD2 HIS A 4 -23.863 1.237 -22.391 1.00 0.00 C ATOM 53 CE1 HIS A 4 -26.027 1.239 -22.718 1.00 0.00 C ATOM 54 NE2 HIS A 4 -25.019 0.512 -22.278 1.00 0.00 N ATOM 0 H HIS A 4 -24.419 3.217 -25.488 1.00 0.00 H new ATOM 0 HA HIS A 4 -22.023 4.594 -24.613 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -22.620 3.787 -22.412 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -23.991 4.541 -23.201 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -22.872 0.907 -22.116 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -27.061 0.931 -22.755 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -25.089 -0.438 -21.912 1.00 0.00 H new ATOM 63 N HIS A 5 -20.249 2.794 -24.611 1.00 0.00 N ATOM 64 CA HIS A 5 -19.168 1.795 -24.742 1.00 0.00 C ATOM 65 C HIS A 5 -17.886 2.321 -24.071 1.00 0.00 C ATOM 66 O HIS A 5 -17.519 3.484 -24.254 1.00 0.00 O ATOM 67 CB HIS A 5 -18.905 1.436 -26.238 1.00 0.00 C ATOM 68 CG HIS A 5 -18.491 2.605 -27.098 1.00 0.00 C ATOM 69 ND1 HIS A 5 -17.180 3.016 -27.237 1.00 0.00 N ATOM 70 CD2 HIS A 5 -19.221 3.465 -27.844 1.00 0.00 C ATOM 71 CE1 HIS A 5 -17.129 4.073 -28.018 1.00 0.00 C ATOM 72 NE2 HIS A 5 -18.355 4.365 -28.399 1.00 0.00 N ATOM 0 H HIS A 5 -19.910 3.746 -24.475 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.481 0.881 -24.238 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.127 0.674 -26.284 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -19.809 0.995 -26.657 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -20.293 3.444 -27.977 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.235 4.610 -28.299 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.616 5.139 -29.010 1.00 0.00 H new ATOM 81 N HIS A 6 -17.241 1.463 -23.261 1.00 0.00 N ATOM 82 CA HIS A 6 -15.968 1.762 -22.558 1.00 0.00 C ATOM 83 C HIS A 6 -15.146 0.469 -22.445 1.00 0.00 C ATOM 84 O HIS A 6 -15.623 -0.614 -22.816 1.00 0.00 O ATOM 85 CB HIS A 6 -16.227 2.371 -21.148 1.00 0.00 C ATOM 86 CG HIS A 6 -16.837 3.751 -21.174 1.00 0.00 C ATOM 87 ND1 HIS A 6 -18.197 3.973 -21.100 1.00 0.00 N ATOM 88 CD2 HIS A 6 -16.269 4.978 -21.297 1.00 0.00 C ATOM 89 CE1 HIS A 6 -18.438 5.266 -21.179 1.00 0.00 C ATOM 90 NE2 HIS A 6 -17.290 5.897 -21.303 1.00 0.00 N ATOM 0 H HIS A 6 -17.591 0.524 -23.069 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.412 2.503 -23.132 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -16.887 1.705 -20.592 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.284 2.413 -20.604 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.213 5.191 -21.375 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.413 5.730 -21.147 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.176 6.907 -21.390 1.00 0.00 H new ATOM 99 N HIS A 7 -13.909 0.581 -21.936 1.00 0.00 N ATOM 100 CA HIS A 7 -13.019 -0.578 -21.777 1.00 0.00 C ATOM 101 C HIS A 7 -11.973 -0.284 -20.686 1.00 0.00 C ATOM 102 O HIS A 7 -10.897 0.238 -20.973 1.00 0.00 O ATOM 103 CB HIS A 7 -12.349 -0.931 -23.141 1.00 0.00 C ATOM 104 CG HIS A 7 -11.702 -2.290 -23.190 1.00 0.00 C ATOM 105 ND1 HIS A 7 -10.337 -2.486 -23.163 1.00 0.00 N ATOM 106 CD2 HIS A 7 -12.247 -3.525 -23.304 1.00 0.00 C ATOM 107 CE1 HIS A 7 -10.078 -3.771 -23.261 1.00 0.00 C ATOM 108 NE2 HIS A 7 -11.219 -4.427 -23.349 1.00 0.00 N ATOM 0 H HIS A 7 -13.503 1.464 -21.627 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.599 -1.445 -21.462 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.103 -0.874 -23.926 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.596 -0.176 -23.367 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.301 -3.756 -23.351 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.094 -4.216 -23.268 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.318 -5.438 -23.436 1.00 0.00 H new ATOM 117 N HIS A 8 -12.335 -0.561 -19.421 1.00 0.00 N ATOM 118 CA HIS A 8 -11.410 -0.455 -18.275 1.00 0.00 C ATOM 119 C HIS A 8 -10.585 -1.742 -18.156 1.00 0.00 C ATOM 120 O HIS A 8 -11.046 -2.735 -17.590 1.00 0.00 O ATOM 121 CB HIS A 8 -12.175 -0.149 -16.952 1.00 0.00 C ATOM 122 CG HIS A 8 -12.659 1.271 -16.856 1.00 0.00 C ATOM 123 ND1 HIS A 8 -11.970 2.254 -16.170 1.00 0.00 N ATOM 124 CD2 HIS A 8 -13.748 1.875 -17.378 1.00 0.00 C ATOM 125 CE1 HIS A 8 -12.617 3.392 -16.278 1.00 0.00 C ATOM 126 NE2 HIS A 8 -13.695 3.192 -17.007 1.00 0.00 N ATOM 0 H HIS A 8 -13.274 -0.864 -19.163 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.733 0.381 -18.451 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.029 -0.822 -16.871 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.521 -0.360 -16.106 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.516 1.407 -17.976 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.316 4.333 -15.842 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.381 3.904 -17.256 1.00 0.00 H new ATOM 135 N SER A 9 -9.388 -1.721 -18.750 1.00 0.00 N ATOM 136 CA SER A 9 -8.434 -2.835 -18.729 1.00 0.00 C ATOM 137 C SER A 9 -7.072 -2.331 -18.224 1.00 0.00 C ATOM 138 O SER A 9 -6.243 -1.834 -19.003 1.00 0.00 O ATOM 139 CB SER A 9 -8.340 -3.453 -20.147 1.00 0.00 C ATOM 140 OG SER A 9 -8.086 -2.457 -21.135 1.00 0.00 O ATOM 0 H SER A 9 -9.048 -0.912 -19.270 1.00 0.00 H new ATOM 0 HA SER A 9 -8.770 -3.616 -18.047 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.545 -4.199 -20.168 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.270 -3.971 -20.382 1.00 0.00 H new ATOM 0 HG SER A 9 -7.345 -1.886 -20.841 1.00 0.00 H new ATOM 146 N HIS A 10 -6.881 -2.392 -16.900 1.00 0.00 N ATOM 147 CA HIS A 10 -5.608 -2.020 -16.261 1.00 0.00 C ATOM 148 C HIS A 10 -4.536 -3.088 -16.557 1.00 0.00 C ATOM 149 O HIS A 10 -4.840 -4.290 -16.592 1.00 0.00 O ATOM 150 CB HIS A 10 -5.794 -1.815 -14.733 1.00 0.00 C ATOM 151 CG HIS A 10 -6.150 -3.056 -13.936 1.00 0.00 C ATOM 152 ND1 HIS A 10 -5.590 -3.336 -12.717 1.00 0.00 N ATOM 153 CD2 HIS A 10 -7.008 -4.077 -14.183 1.00 0.00 C ATOM 154 CE1 HIS A 10 -6.092 -4.449 -12.237 1.00 0.00 C ATOM 155 NE2 HIS A 10 -6.954 -4.930 -13.111 1.00 0.00 N ATOM 0 H HIS A 10 -7.599 -2.698 -16.243 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.271 -1.071 -16.679 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.872 -1.398 -14.327 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.575 -1.071 -14.578 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.886 -2.763 -12.251 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.622 -4.196 -15.064 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.841 -4.896 -11.286 1.00 0.00 H new ATOM 164 N MET A 11 -3.297 -2.641 -16.818 1.00 0.00 N ATOM 165 CA MET A 11 -2.153 -3.544 -17.062 1.00 0.00 C ATOM 166 C MET A 11 -1.621 -4.107 -15.728 1.00 0.00 C ATOM 167 O MET A 11 -1.101 -5.230 -15.669 1.00 0.00 O ATOM 168 CB MET A 11 -1.030 -2.798 -17.839 1.00 0.00 C ATOM 169 CG MET A 11 0.174 -3.666 -18.241 1.00 0.00 C ATOM 170 SD MET A 11 1.420 -2.746 -19.176 1.00 0.00 S ATOM 171 CE MET A 11 2.647 -4.020 -19.500 1.00 0.00 C ATOM 0 H MET A 11 -3.058 -1.651 -16.866 1.00 0.00 H new ATOM 0 HA MET A 11 -2.490 -4.381 -17.674 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.461 -2.363 -18.741 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.673 -1.971 -17.225 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.633 -4.081 -17.344 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.174 -4.508 -18.839 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.473 -3.593 -20.069 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.022 -4.412 -18.555 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.191 -4.828 -20.072 1.00 0.00 H new ATOM 181 N SER A 12 -1.791 -3.314 -14.661 1.00 0.00 N ATOM 182 CA SER A 12 -1.340 -3.643 -13.303 1.00 0.00 C ATOM 183 C SER A 12 -2.180 -2.872 -12.268 1.00 0.00 C ATOM 184 O SER A 12 -2.999 -2.019 -12.630 1.00 0.00 O ATOM 185 CB SER A 12 0.166 -3.290 -13.148 1.00 0.00 C ATOM 186 OG SER A 12 0.982 -4.100 -13.985 1.00 0.00 O ATOM 0 H SER A 12 -2.255 -2.408 -14.720 1.00 0.00 H new ATOM 0 HA SER A 12 -1.470 -4.711 -13.131 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.321 -2.240 -13.394 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.466 -3.422 -12.108 1.00 0.00 H new ATOM 0 HG SER A 12 1.922 -3.851 -13.865 1.00 0.00 H new ATOM 192 N TRP A 13 -1.969 -3.178 -10.979 1.00 0.00 N ATOM 193 CA TRP A 13 -2.453 -2.353 -9.852 1.00 0.00 C ATOM 194 C TRP A 13 -1.319 -1.387 -9.472 1.00 0.00 C ATOM 195 O TRP A 13 -1.540 -0.342 -8.865 1.00 0.00 O ATOM 196 CB TRP A 13 -2.870 -3.247 -8.640 1.00 0.00 C ATOM 197 CG TRP A 13 -1.925 -4.404 -8.344 1.00 0.00 C ATOM 198 CD1 TRP A 13 -2.075 -5.704 -8.757 1.00 0.00 C ATOM 199 CD2 TRP A 13 -0.686 -4.373 -7.605 1.00 0.00 C ATOM 200 NE1 TRP A 13 -1.022 -6.465 -8.327 1.00 0.00 N ATOM 201 CE2 TRP A 13 -0.162 -5.681 -7.616 1.00 0.00 C ATOM 202 CE3 TRP A 13 0.025 -3.375 -6.931 1.00 0.00 C ATOM 203 CZ2 TRP A 13 1.042 -6.009 -6.996 1.00 0.00 C ATOM 204 CZ3 TRP A 13 1.218 -3.708 -6.321 1.00 0.00 C ATOM 205 CH2 TRP A 13 1.715 -5.010 -6.358 1.00 0.00 C ATOM 0 H TRP A 13 -1.456 -4.008 -10.683 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.342 -1.794 -10.142 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.943 -2.619 -7.752 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.866 -3.649 -8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.906 -6.074 -9.339 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.900 -7.461 -8.509 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.352 -2.364 -6.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.428 -7.017 -7.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.778 -2.943 -5.804 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.653 -5.232 -5.871 1.00 0.00 H new ATOM 216 N TYR A 14 -0.081 -1.787 -9.822 1.00 0.00 N ATOM 217 CA TYR A 14 1.079 -0.906 -9.780 1.00 0.00 C ATOM 218 C TYR A 14 0.956 0.086 -10.948 1.00 0.00 C ATOM 219 O TYR A 14 1.100 -0.298 -12.113 1.00 0.00 O ATOM 220 CB TYR A 14 2.409 -1.719 -9.849 1.00 0.00 C ATOM 221 CG TYR A 14 3.684 -0.845 -9.850 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.246 -0.382 -8.658 1.00 0.00 C ATOM 223 CD2 TYR A 14 4.294 -0.455 -11.049 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.363 0.433 -8.661 1.00 0.00 C ATOM 225 CE2 TYR A 14 5.413 0.351 -11.051 1.00 0.00 C ATOM 226 CZ TYR A 14 5.939 0.796 -9.857 1.00 0.00 C ATOM 227 OH TYR A 14 7.045 1.610 -9.864 1.00 0.00 O ATOM 0 H TYR A 14 0.132 -2.732 -10.140 1.00 0.00 H new ATOM 0 HA TYR A 14 1.106 -0.362 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.450 -2.401 -9.000 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.401 -2.332 -10.750 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.800 -0.666 -7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.881 -0.791 -11.988 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.782 0.783 -7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.876 0.633 -11.985 1.00 0.00 H new ATOM 0 HH TYR A 14 7.328 1.770 -10.789 1.00 0.00 H new ATOM 237 N HIS A 15 0.634 1.348 -10.637 1.00 0.00 N ATOM 238 CA HIS A 15 0.483 2.406 -11.652 1.00 0.00 C ATOM 239 C HIS A 15 1.727 3.303 -11.593 1.00 0.00 C ATOM 240 O HIS A 15 1.992 3.924 -10.557 1.00 0.00 O ATOM 241 CB HIS A 15 -0.814 3.220 -11.410 1.00 0.00 C ATOM 242 CG HIS A 15 -2.089 2.413 -11.458 1.00 0.00 C ATOM 243 ND1 HIS A 15 -2.729 2.082 -12.633 1.00 0.00 N ATOM 244 CD2 HIS A 15 -2.834 1.871 -10.469 1.00 0.00 C ATOM 245 CE1 HIS A 15 -3.808 1.379 -12.359 1.00 0.00 C ATOM 246 NE2 HIS A 15 -3.895 1.235 -11.053 1.00 0.00 N ATOM 0 H HIS A 15 0.471 1.666 -9.682 1.00 0.00 H new ATOM 0 HA HIS A 15 0.397 1.965 -12.645 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.745 3.705 -10.436 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.874 4.011 -12.157 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.629 1.929 -9.410 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.505 0.986 -13.084 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.632 0.732 -10.558 1.00 0.00 H new ATOM 255 N ARG A 16 2.485 3.350 -12.709 1.00 0.00 N ATOM 256 CA ARG A 16 3.821 3.989 -12.776 1.00 0.00 C ATOM 257 C ARG A 16 3.728 5.509 -12.503 1.00 0.00 C ATOM 258 O ARG A 16 4.527 6.052 -11.740 1.00 0.00 O ATOM 259 CB ARG A 16 4.488 3.672 -14.163 1.00 0.00 C ATOM 260 CG ARG A 16 6.037 3.844 -14.256 1.00 0.00 C ATOM 261 CD ARG A 16 6.504 5.313 -14.344 1.00 0.00 C ATOM 262 NE ARG A 16 5.875 6.029 -15.474 1.00 0.00 N ATOM 263 CZ ARG A 16 5.872 7.362 -15.643 1.00 0.00 C ATOM 264 NH1 ARG A 16 6.396 8.170 -14.731 1.00 0.00 N ATOM 265 NH2 ARG A 16 5.294 7.884 -16.715 1.00 0.00 N ATOM 0 H ARG A 16 2.187 2.944 -13.596 1.00 0.00 H new ATOM 0 HA ARG A 16 4.457 3.575 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.244 2.644 -14.430 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.029 4.314 -14.915 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.496 3.380 -13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.400 3.306 -15.132 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.265 5.826 -13.412 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.588 5.342 -14.455 1.00 0.00 H new ATOM 0 HE ARG A 16 5.405 5.466 -16.183 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.811 7.782 -13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.384 9.179 -14.877 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.855 7.275 -17.405 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.288 8.895 -16.850 1.00 0.00 H new ATOM 279 N ASP A 17 2.765 6.200 -13.138 1.00 0.00 N ATOM 280 CA ASP A 17 2.531 7.642 -12.910 1.00 0.00 C ATOM 281 C ASP A 17 1.152 7.844 -12.259 1.00 0.00 C ATOM 282 O ASP A 17 0.143 8.077 -12.944 1.00 0.00 O ATOM 283 CB ASP A 17 2.650 8.426 -14.245 1.00 0.00 C ATOM 284 CG ASP A 17 2.436 9.941 -14.079 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.314 10.609 -13.496 1.00 0.00 O ATOM 286 OD2 ASP A 17 1.401 10.474 -14.536 1.00 0.00 O ATOM 0 H ASP A 17 2.131 5.782 -13.818 1.00 0.00 H new ATOM 0 HA ASP A 17 3.290 8.031 -12.232 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.636 8.250 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.918 8.038 -14.954 1.00 0.00 H new ATOM 291 N LEU A 18 1.094 7.660 -10.937 1.00 0.00 N ATOM 292 CA LEU A 18 -0.117 7.886 -10.139 1.00 0.00 C ATOM 293 C LEU A 18 0.219 8.699 -8.871 1.00 0.00 C ATOM 294 O LEU A 18 1.196 8.413 -8.171 1.00 0.00 O ATOM 295 CB LEU A 18 -0.733 6.506 -9.780 1.00 0.00 C ATOM 296 CG LEU A 18 -2.080 6.519 -8.996 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.169 7.294 -9.759 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.536 5.081 -8.662 1.00 0.00 C ATOM 0 H LEU A 18 1.892 7.347 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.842 8.465 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.884 5.951 -10.706 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.003 5.951 -9.191 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.913 7.043 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.095 7.283 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.846 8.325 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.339 6.824 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.478 5.116 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.673 4.519 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.779 4.592 -8.049 1.00 0.00 H new ATOM 310 N SER A 19 -0.598 9.728 -8.599 1.00 0.00 N ATOM 311 CA SER A 19 -0.474 10.576 -7.397 1.00 0.00 C ATOM 312 C SER A 19 -1.483 10.124 -6.324 1.00 0.00 C ATOM 313 O SER A 19 -2.349 9.303 -6.617 1.00 0.00 O ATOM 314 CB SER A 19 -0.684 12.045 -7.795 1.00 0.00 C ATOM 315 OG SER A 19 0.235 12.419 -8.812 1.00 0.00 O ATOM 0 H SER A 19 -1.369 9.999 -9.209 1.00 0.00 H new ATOM 0 HA SER A 19 0.523 10.475 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.705 12.190 -8.147 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.553 12.687 -6.924 1.00 0.00 H new ATOM 0 HG SER A 19 0.088 13.357 -9.057 1.00 0.00 H new ATOM 321 N ARG A 20 -1.366 10.663 -5.088 1.00 0.00 N ATOM 322 CA ARG A 20 -2.150 10.194 -3.919 1.00 0.00 C ATOM 323 C ARG A 20 -3.662 10.371 -4.092 1.00 0.00 C ATOM 324 O ARG A 20 -4.413 9.396 -3.975 1.00 0.00 O ATOM 325 CB ARG A 20 -1.694 10.887 -2.607 1.00 0.00 C ATOM 326 CG ARG A 20 -2.550 10.493 -1.374 1.00 0.00 C ATOM 327 CD ARG A 20 -2.146 11.198 -0.076 1.00 0.00 C ATOM 328 NE ARG A 20 -3.146 10.945 0.986 1.00 0.00 N ATOM 329 CZ ARG A 20 -2.887 10.839 2.297 1.00 0.00 C ATOM 330 NH1 ARG A 20 -1.642 10.890 2.755 1.00 0.00 N ATOM 331 NH2 ARG A 20 -3.880 10.649 3.148 1.00 0.00 N ATOM 0 H ARG A 20 -0.730 11.431 -4.873 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.949 9.125 -3.851 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.652 10.632 -2.413 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.739 11.968 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.596 10.717 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.479 9.415 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.167 10.844 0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.056 12.270 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.118 10.842 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.864 11.012 2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.463 10.808 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.839 10.584 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.688 10.568 4.146 1.00 0.00 H new ATOM 345 N ALA A 21 -4.099 11.622 -4.330 1.00 0.00 N ATOM 346 CA ALA A 21 -5.525 11.961 -4.491 1.00 0.00 C ATOM 347 C ALA A 21 -6.171 11.134 -5.618 1.00 0.00 C ATOM 348 O ALA A 21 -7.271 10.600 -5.465 1.00 0.00 O ATOM 349 CB ALA A 21 -5.682 13.464 -4.738 1.00 0.00 C ATOM 0 H ALA A 21 -3.475 12.424 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.048 11.709 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.738 13.705 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.276 14.016 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.143 13.742 -5.644 1.00 0.00 H new ATOM 355 N ALA A 22 -5.436 11.009 -6.730 1.00 0.00 N ATOM 356 CA ALA A 22 -5.837 10.193 -7.888 1.00 0.00 C ATOM 357 C ALA A 22 -5.846 8.678 -7.561 1.00 0.00 C ATOM 358 O ALA A 22 -6.635 7.925 -8.141 1.00 0.00 O ATOM 359 CB ALA A 22 -4.904 10.488 -9.068 1.00 0.00 C ATOM 0 H ALA A 22 -4.537 11.475 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.859 10.463 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.200 9.884 -9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.969 11.545 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.878 10.245 -8.790 1.00 0.00 H new ATOM 365 N ALA A 23 -4.961 8.247 -6.640 1.00 0.00 N ATOM 366 CA ALA A 23 -4.828 6.828 -6.234 1.00 0.00 C ATOM 367 C ALA A 23 -6.047 6.359 -5.447 1.00 0.00 C ATOM 368 O ALA A 23 -6.613 5.306 -5.739 1.00 0.00 O ATOM 369 CB ALA A 23 -3.559 6.617 -5.393 1.00 0.00 C ATOM 0 H ALA A 23 -4.317 8.871 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.755 6.236 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.483 5.568 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.684 6.898 -5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.610 7.235 -4.497 1.00 0.00 H new ATOM 375 N GLU A 24 -6.419 7.145 -4.430 1.00 0.00 N ATOM 376 CA GLU A 24 -7.591 6.870 -3.584 1.00 0.00 C ATOM 377 C GLU A 24 -8.915 7.067 -4.350 1.00 0.00 C ATOM 378 O GLU A 24 -9.939 6.500 -3.955 1.00 0.00 O ATOM 379 CB GLU A 24 -7.530 7.723 -2.299 1.00 0.00 C ATOM 380 CG GLU A 24 -7.354 9.224 -2.535 1.00 0.00 C ATOM 381 CD GLU A 24 -7.117 10.022 -1.247 1.00 0.00 C ATOM 382 OE1 GLU A 24 -5.990 9.968 -0.700 1.00 0.00 O ATOM 383 OE2 GLU A 24 -8.051 10.704 -0.768 1.00 0.00 O ATOM 0 H GLU A 24 -5.916 7.993 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.564 5.820 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.446 7.564 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.705 7.367 -1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.513 9.381 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.242 9.612 -3.035 1.00 0.00 H new ATOM 390 N GLU A 25 -8.891 7.861 -5.441 1.00 0.00 N ATOM 391 CA GLU A 25 -10.016 7.916 -6.394 1.00 0.00 C ATOM 392 C GLU A 25 -10.125 6.577 -7.152 1.00 0.00 C ATOM 393 O GLU A 25 -11.199 5.986 -7.218 1.00 0.00 O ATOM 394 CB GLU A 25 -9.863 9.105 -7.378 1.00 0.00 C ATOM 395 CG GLU A 25 -10.107 10.482 -6.745 1.00 0.00 C ATOM 396 CD GLU A 25 -9.918 11.632 -7.747 1.00 0.00 C ATOM 397 OE1 GLU A 25 -8.782 12.133 -7.882 1.00 0.00 O ATOM 398 OE2 GLU A 25 -10.901 12.019 -8.424 1.00 0.00 O ATOM 0 H GLU A 25 -8.109 8.469 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.937 8.078 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.859 9.085 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.560 8.969 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.119 10.519 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.424 10.619 -5.906 1.00 0.00 H new ATOM 405 N LEU A 26 -8.994 6.098 -7.698 1.00 0.00 N ATOM 406 CA LEU A 26 -8.919 4.769 -8.352 1.00 0.00 C ATOM 407 C LEU A 26 -9.290 3.630 -7.373 1.00 0.00 C ATOM 408 O LEU A 26 -9.813 2.606 -7.789 1.00 0.00 O ATOM 409 CB LEU A 26 -7.522 4.508 -8.984 1.00 0.00 C ATOM 410 CG LEU A 26 -7.152 5.332 -10.257 1.00 0.00 C ATOM 411 CD1 LEU A 26 -5.778 4.899 -10.825 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.261 5.232 -11.331 1.00 0.00 C ATOM 0 H LEU A 26 -8.112 6.610 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.653 4.779 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.765 4.702 -8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.457 3.449 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.072 6.378 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.548 5.491 -11.711 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.006 5.058 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.811 3.843 -11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.974 5.816 -12.205 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.395 4.189 -11.619 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.196 5.620 -10.926 1.00 0.00 H new ATOM 424 N LEU A 27 -9.019 3.821 -6.075 1.00 0.00 N ATOM 425 CA LEU A 27 -9.477 2.892 -5.025 1.00 0.00 C ATOM 426 C LEU A 27 -11.009 2.945 -4.899 1.00 0.00 C ATOM 427 O LEU A 27 -11.660 1.912 -4.864 1.00 0.00 O ATOM 428 CB LEU A 27 -8.824 3.237 -3.657 1.00 0.00 C ATOM 429 CG LEU A 27 -7.338 2.811 -3.456 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.760 3.436 -2.163 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.193 1.271 -3.447 1.00 0.00 C ATOM 0 H LEU A 27 -8.482 4.614 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.175 1.884 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.890 4.315 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.419 2.773 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.762 3.189 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.722 3.126 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.809 4.523 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.342 3.100 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.146 1.005 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.787 0.854 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.545 0.867 -4.396 1.00 0.00 H new ATOM 443 N ALA A 28 -11.561 4.171 -4.848 1.00 0.00 N ATOM 444 CA ALA A 28 -12.996 4.406 -4.596 1.00 0.00 C ATOM 445 C ALA A 28 -13.881 3.819 -5.721 1.00 0.00 C ATOM 446 O ALA A 28 -14.916 3.194 -5.448 1.00 0.00 O ATOM 447 CB ALA A 28 -13.255 5.913 -4.416 1.00 0.00 C ATOM 0 H ALA A 28 -11.024 5.028 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.269 3.888 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.316 6.080 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.676 6.283 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.957 6.444 -5.320 1.00 0.00 H new ATOM 453 N ARG A 29 -13.454 4.014 -6.983 1.00 0.00 N ATOM 454 CA ARG A 29 -14.220 3.560 -8.163 1.00 0.00 C ATOM 455 C ARG A 29 -13.864 2.098 -8.514 1.00 0.00 C ATOM 456 O ARG A 29 -14.762 1.258 -8.632 1.00 0.00 O ATOM 457 CB ARG A 29 -13.996 4.492 -9.399 1.00 0.00 C ATOM 458 CG ARG A 29 -14.628 5.915 -9.315 1.00 0.00 C ATOM 459 CD ARG A 29 -13.944 6.834 -8.285 1.00 0.00 C ATOM 460 NE ARG A 29 -14.448 8.221 -8.304 1.00 0.00 N ATOM 461 CZ ARG A 29 -13.779 9.284 -8.798 1.00 0.00 C ATOM 462 NH1 ARG A 29 -12.591 9.134 -9.375 1.00 0.00 N ATOM 463 NH2 ARG A 29 -14.300 10.495 -8.699 1.00 0.00 N ATOM 0 H ARG A 29 -12.579 4.485 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.277 3.611 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.923 4.603 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.395 3.992 -10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.578 6.384 -10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.684 5.820 -9.060 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.087 6.418 -7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.871 6.844 -8.475 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.375 8.389 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.173 8.206 -9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.097 9.947 -9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.206 10.625 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.796 11.299 -9.072 1.00 0.00 H new ATOM 477 N ALA A 30 -12.559 1.791 -8.680 1.00 0.00 N ATOM 478 CA ALA A 30 -12.113 0.439 -9.105 1.00 0.00 C ATOM 479 C ALA A 30 -12.146 -0.543 -7.938 1.00 0.00 C ATOM 480 O ALA A 30 -12.865 -1.555 -7.999 1.00 0.00 O ATOM 481 CB ALA A 30 -10.709 0.464 -9.734 1.00 0.00 C ATOM 0 H ALA A 30 -11.798 2.453 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.815 0.103 -9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.425 -0.546 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.715 1.111 -10.611 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.991 0.845 -9.007 1.00 0.00 H new ATOM 487 N GLY A 31 -11.365 -0.252 -6.870 1.00 0.00 N ATOM 488 CA GLY A 31 -11.275 -1.130 -5.709 1.00 0.00 C ATOM 489 C GLY A 31 -12.589 -1.287 -4.944 1.00 0.00 C ATOM 490 O GLY A 31 -13.223 -0.307 -4.555 1.00 0.00 O ATOM 0 H GLY A 31 -10.792 0.589 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.937 -2.113 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.516 -0.741 -5.030 1.00 0.00 H new ATOM 494 N ARG A 32 -12.988 -2.537 -4.752 1.00 0.00 N ATOM 495 CA ARG A 32 -14.258 -2.919 -4.094 1.00 0.00 C ATOM 496 C ARG A 32 -14.191 -2.841 -2.551 1.00 0.00 C ATOM 497 O ARG A 32 -15.130 -2.326 -1.912 1.00 0.00 O ATOM 498 CB ARG A 32 -14.620 -4.351 -4.555 1.00 0.00 C ATOM 499 CG ARG A 32 -14.682 -4.495 -6.092 1.00 0.00 C ATOM 500 CD ARG A 32 -14.942 -5.932 -6.563 1.00 0.00 C ATOM 501 NE ARG A 32 -16.191 -6.483 -6.020 1.00 0.00 N ATOM 502 CZ ARG A 32 -17.419 -6.321 -6.550 1.00 0.00 C ATOM 503 NH1 ARG A 32 -17.595 -5.640 -7.682 1.00 0.00 N ATOM 504 NH2 ARG A 32 -18.452 -6.869 -5.950 1.00 0.00 N ATOM 0 H ARG A 32 -12.435 -3.341 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.028 -2.207 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.883 -5.051 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.584 -4.630 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.469 -3.847 -6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -13.742 -4.145 -6.520 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.982 -5.953 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -14.108 -6.566 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.122 -7.037 -5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -16.793 -5.232 -8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.532 -5.527 -8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.318 -7.408 -5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.388 -6.755 -6.340 1.00 0.00 H new ATOM 518 N ASP A 33 -13.053 -3.303 -1.987 1.00 0.00 N ATOM 519 CA ASP A 33 -12.856 -3.522 -0.523 1.00 0.00 C ATOM 520 C ASP A 33 -11.531 -4.280 -0.330 1.00 0.00 C ATOM 521 O ASP A 33 -11.292 -5.265 -1.037 1.00 0.00 O ATOM 522 CB ASP A 33 -14.031 -4.350 0.145 1.00 0.00 C ATOM 523 CG ASP A 33 -14.786 -3.578 1.248 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.147 -3.134 2.220 1.00 0.00 O ATOM 525 OD2 ASP A 33 -16.029 -3.438 1.165 1.00 0.00 O ATOM 0 H ASP A 33 -12.228 -3.540 -2.538 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.842 -2.547 -0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.740 -4.647 -0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.622 -5.266 0.571 1.00 0.00 H new ATOM 530 N GLY A 34 -10.670 -3.833 0.608 1.00 0.00 N ATOM 531 CA GLY A 34 -9.380 -4.508 0.867 1.00 0.00 C ATOM 532 C GLY A 34 -8.410 -4.354 -0.304 1.00 0.00 C ATOM 533 O GLY A 34 -7.507 -5.178 -0.501 1.00 0.00 O ATOM 0 H GLY A 34 -10.842 -3.016 1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.929 -4.094 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.556 -5.567 1.056 1.00 0.00 H new ATOM 537 N SER A 35 -8.632 -3.289 -1.090 1.00 0.00 N ATOM 538 CA SER A 35 -7.942 -3.045 -2.354 1.00 0.00 C ATOM 539 C SER A 35 -6.662 -2.261 -2.118 1.00 0.00 C ATOM 540 O SER A 35 -6.631 -1.408 -1.249 1.00 0.00 O ATOM 541 CB SER A 35 -8.888 -2.278 -3.292 1.00 0.00 C ATOM 542 OG SER A 35 -10.177 -2.890 -3.312 1.00 0.00 O ATOM 0 H SER A 35 -9.310 -2.564 -0.855 1.00 0.00 H new ATOM 0 HA SER A 35 -7.667 -3.994 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.976 -1.243 -2.963 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.473 -2.258 -4.300 1.00 0.00 H new ATOM 0 HG SER A 35 -10.325 -3.313 -4.184 1.00 0.00 H new ATOM 548 N PHE A 36 -5.628 -2.535 -2.915 1.00 0.00 N ATOM 549 CA PHE A 36 -4.312 -1.920 -2.758 1.00 0.00 C ATOM 550 C PHE A 36 -3.702 -1.634 -4.134 1.00 0.00 C ATOM 551 O PHE A 36 -3.992 -2.329 -5.122 1.00 0.00 O ATOM 552 CB PHE A 36 -3.371 -2.850 -1.942 1.00 0.00 C ATOM 553 CG PHE A 36 -2.908 -4.115 -2.680 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.756 -5.207 -2.845 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.622 -4.198 -3.225 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.340 -6.336 -3.525 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.215 -5.327 -3.902 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.070 -6.394 -4.052 1.00 0.00 C ATOM 0 H PHE A 36 -5.682 -3.194 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.428 -0.981 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.492 -2.280 -1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.884 -3.148 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.755 -5.171 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.941 -3.368 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.012 -7.173 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.219 -5.374 -4.317 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.745 -7.277 -4.583 1.00 0.00 H new ATOM 568 N LEU A 37 -2.860 -0.609 -4.172 1.00 0.00 N ATOM 569 CA LEU A 37 -2.006 -0.291 -5.318 1.00 0.00 C ATOM 570 C LEU A 37 -0.640 0.167 -4.791 1.00 0.00 C ATOM 571 O LEU A 37 -0.548 0.669 -3.663 1.00 0.00 O ATOM 572 CB LEU A 37 -2.704 0.797 -6.203 1.00 0.00 C ATOM 573 CG LEU A 37 -3.084 2.159 -5.512 1.00 0.00 C ATOM 574 CD1 LEU A 37 -1.901 3.148 -5.462 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.323 2.814 -6.167 1.00 0.00 C ATOM 0 H LEU A 37 -2.747 0.040 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.850 -1.165 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.048 1.018 -7.045 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.615 0.363 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.341 1.912 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.218 4.070 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.080 2.705 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.568 3.369 -6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.550 3.751 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.117 3.012 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.176 2.141 -6.085 1.00 0.00 H new ATOM 587 N VAL A 38 0.417 0.001 -5.592 1.00 0.00 N ATOM 588 CA VAL A 38 1.742 0.570 -5.292 1.00 0.00 C ATOM 589 C VAL A 38 2.139 1.487 -6.462 1.00 0.00 C ATOM 590 O VAL A 38 1.741 1.263 -7.608 1.00 0.00 O ATOM 591 CB VAL A 38 2.843 -0.526 -5.017 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.223 0.112 -4.721 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.426 -1.456 -3.851 1.00 0.00 C ATOM 0 H VAL A 38 0.383 -0.528 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 38 1.676 1.139 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 38 2.933 -1.123 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.955 -0.674 -4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.539 0.709 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.147 0.751 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.204 -2.201 -3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.289 -0.865 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.491 -1.957 -4.102 1.00 0.00 H new ATOM 603 N ARG A 39 2.866 2.545 -6.132 1.00 0.00 N ATOM 604 CA ARG A 39 3.245 3.616 -7.051 1.00 0.00 C ATOM 605 C ARG A 39 4.444 4.368 -6.449 1.00 0.00 C ATOM 606 O ARG A 39 5.051 3.914 -5.471 1.00 0.00 O ATOM 607 CB ARG A 39 2.026 4.560 -7.258 1.00 0.00 C ATOM 608 CG ARG A 39 1.470 5.122 -5.938 1.00 0.00 C ATOM 609 CD ARG A 39 0.239 6.011 -6.127 1.00 0.00 C ATOM 610 NE ARG A 39 -0.238 6.527 -4.841 1.00 0.00 N ATOM 611 CZ ARG A 39 0.294 7.566 -4.200 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.247 8.299 -4.762 1.00 0.00 N ATOM 613 NH2 ARG A 39 -0.142 7.876 -2.994 1.00 0.00 N ATOM 0 H ARG A 39 3.221 2.689 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 39 3.534 3.218 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.320 5.388 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.236 4.016 -7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.213 4.293 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.250 5.696 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.484 6.842 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.554 5.442 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.033 6.058 -4.407 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.582 8.070 -5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.645 9.092 -4.258 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.880 7.322 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.259 8.670 -2.495 1.00 0.00 H new ATOM 627 N ASP A 40 4.787 5.497 -7.061 1.00 0.00 N ATOM 628 CA ASP A 40 5.755 6.459 -6.511 1.00 0.00 C ATOM 629 C ASP A 40 5.007 7.497 -5.656 1.00 0.00 C ATOM 630 O ASP A 40 3.858 7.859 -5.951 1.00 0.00 O ATOM 631 CB ASP A 40 6.559 7.165 -7.659 1.00 0.00 C ATOM 632 CG ASP A 40 7.981 6.617 -7.823 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.187 5.643 -8.583 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.902 7.155 -7.173 1.00 0.00 O ATOM 0 H ASP A 40 4.401 5.779 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 40 6.472 5.925 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.020 7.046 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.610 8.234 -7.454 1.00 0.00 H new ATOM 639 N SER A 41 5.660 7.921 -4.573 1.00 0.00 N ATOM 640 CA SER A 41 5.289 9.115 -3.808 1.00 0.00 C ATOM 641 C SER A 41 5.605 10.373 -4.634 1.00 0.00 C ATOM 642 O SER A 41 6.417 10.326 -5.568 1.00 0.00 O ATOM 643 CB SER A 41 6.067 9.134 -2.469 1.00 0.00 C ATOM 644 OG SER A 41 5.824 10.317 -1.724 1.00 0.00 O ATOM 0 H SER A 41 6.475 7.437 -4.196 1.00 0.00 H new ATOM 0 HA SER A 41 4.221 9.097 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.782 8.267 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.135 9.046 -2.670 1.00 0.00 H new ATOM 0 HG SER A 41 6.333 10.287 -0.887 1.00 0.00 H new ATOM 650 N GLU A 42 4.978 11.495 -4.264 1.00 0.00 N ATOM 651 CA GLU A 42 5.201 12.801 -4.911 1.00 0.00 C ATOM 652 C GLU A 42 5.988 13.701 -3.943 1.00 0.00 C ATOM 653 O GLU A 42 6.506 14.741 -4.333 1.00 0.00 O ATOM 654 CB GLU A 42 3.865 13.501 -5.307 1.00 0.00 C ATOM 655 CG GLU A 42 2.753 12.586 -5.880 1.00 0.00 C ATOM 656 CD GLU A 42 1.852 11.982 -4.790 1.00 0.00 C ATOM 657 OE1 GLU A 42 0.852 12.630 -4.415 1.00 0.00 O ATOM 658 OE2 GLU A 42 2.156 10.895 -4.268 1.00 0.00 O ATOM 0 H GLU A 42 4.298 11.527 -3.505 1.00 0.00 H new ATOM 0 HA GLU A 42 5.762 12.634 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.471 14.008 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.088 14.271 -6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.139 13.160 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.212 11.780 -6.452 1.00 0.00 H new ATOM 665 N SER A 43 6.043 13.284 -2.662 1.00 0.00 N ATOM 666 CA SER A 43 6.710 14.035 -1.594 1.00 0.00 C ATOM 667 C SER A 43 8.227 13.773 -1.635 1.00 0.00 C ATOM 668 O SER A 43 9.007 14.650 -2.021 1.00 0.00 O ATOM 669 CB SER A 43 6.103 13.636 -0.221 1.00 0.00 C ATOM 670 OG SER A 43 4.686 13.746 -0.238 1.00 0.00 O ATOM 0 H SER A 43 5.622 12.411 -2.344 1.00 0.00 H new ATOM 0 HA SER A 43 6.551 15.103 -1.741 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.389 12.613 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.511 14.276 0.561 1.00 0.00 H new ATOM 0 HG SER A 43 4.327 13.488 0.637 1.00 0.00 H new ATOM 676 N VAL A 44 8.622 12.528 -1.298 1.00 0.00 N ATOM 677 CA VAL A 44 10.035 12.132 -1.168 1.00 0.00 C ATOM 678 C VAL A 44 10.541 11.592 -2.515 1.00 0.00 C ATOM 679 O VAL A 44 9.978 10.611 -3.013 1.00 0.00 O ATOM 680 CB VAL A 44 10.216 11.043 -0.044 1.00 0.00 C ATOM 681 CG1 VAL A 44 11.704 10.639 0.138 1.00 0.00 C ATOM 682 CG2 VAL A 44 9.587 11.527 1.293 1.00 0.00 C ATOM 0 H VAL A 44 7.967 11.769 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 44 10.618 13.008 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 44 9.685 10.146 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.783 9.886 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.087 10.230 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.288 11.516 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.722 10.761 2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.075 12.448 1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.522 11.711 1.149 1.00 0.00 H new ATOM 692 N ALA A 45 11.565 12.294 -3.069 1.00 0.00 N ATOM 693 CA ALA A 45 12.302 11.995 -4.339 1.00 0.00 C ATOM 694 C ALA A 45 11.728 10.839 -5.198 1.00 0.00 C ATOM 695 O ALA A 45 10.985 11.079 -6.161 1.00 0.00 O ATOM 696 CB ALA A 45 13.793 11.766 -4.026 1.00 0.00 C ATOM 0 H ALA A 45 11.924 13.136 -2.618 1.00 0.00 H new ATOM 0 HA ALA A 45 12.168 12.875 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.329 11.548 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.210 12.662 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.896 10.925 -3.340 1.00 0.00 H new ATOM 702 N GLY A 46 12.080 9.592 -4.833 1.00 0.00 N ATOM 703 CA GLY A 46 11.539 8.395 -5.464 1.00 0.00 C ATOM 704 C GLY A 46 11.180 7.351 -4.430 1.00 0.00 C ATOM 705 O GLY A 46 11.784 6.273 -4.378 1.00 0.00 O ATOM 0 H GLY A 46 12.750 9.396 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.655 8.655 -6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.270 7.985 -6.161 1.00 0.00 H new ATOM 709 N ALA A 47 10.204 7.690 -3.581 1.00 0.00 N ATOM 710 CA ALA A 47 9.705 6.786 -2.535 1.00 0.00 C ATOM 711 C ALA A 47 8.542 5.939 -3.075 1.00 0.00 C ATOM 712 O ALA A 47 7.992 6.241 -4.133 1.00 0.00 O ATOM 713 CB ALA A 47 9.283 7.595 -1.298 1.00 0.00 C ATOM 0 H ALA A 47 9.737 8.597 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 47 10.503 6.106 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.915 6.917 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.141 8.148 -0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.494 8.295 -1.573 1.00 0.00 H new ATOM 719 N PHE A 48 8.201 4.861 -2.357 1.00 0.00 N ATOM 720 CA PHE A 48 7.148 3.903 -2.753 1.00 0.00 C ATOM 721 C PHE A 48 5.894 4.152 -1.900 1.00 0.00 C ATOM 722 O PHE A 48 5.949 4.098 -0.674 1.00 0.00 O ATOM 723 CB PHE A 48 7.661 2.440 -2.554 1.00 0.00 C ATOM 724 CG PHE A 48 9.053 2.184 -3.147 1.00 0.00 C ATOM 725 CD1 PHE A 48 10.212 2.515 -2.427 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.209 1.644 -4.422 1.00 0.00 C ATOM 727 CE1 PHE A 48 11.467 2.314 -2.969 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.469 1.449 -4.961 1.00 0.00 C ATOM 729 CZ PHE A 48 11.595 1.781 -4.234 1.00 0.00 C ATOM 0 H PHE A 48 8.651 4.622 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 48 6.899 4.042 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.684 2.215 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.950 1.751 -3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.121 2.933 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.336 1.374 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.348 2.575 -2.401 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.572 1.036 -5.954 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.576 1.623 -4.656 1.00 0.00 H new ATOM 739 N ALA A 49 4.770 4.433 -2.561 1.00 0.00 N ATOM 740 CA ALA A 49 3.488 4.702 -1.899 1.00 0.00 C ATOM 741 C ALA A 49 2.537 3.516 -2.120 1.00 0.00 C ATOM 742 O ALA A 49 2.357 3.061 -3.248 1.00 0.00 O ATOM 743 CB ALA A 49 2.890 6.007 -2.440 1.00 0.00 C ATOM 0 H ALA A 49 4.721 4.481 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 49 3.641 4.820 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.938 6.203 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.577 6.830 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.729 5.916 -3.514 1.00 0.00 H new ATOM 749 N LEU A 50 1.932 3.042 -1.025 1.00 0.00 N ATOM 750 CA LEU A 50 0.993 1.908 -1.013 1.00 0.00 C ATOM 751 C LEU A 50 -0.363 2.442 -0.526 1.00 0.00 C ATOM 752 O LEU A 50 -0.501 2.784 0.636 1.00 0.00 O ATOM 753 CB LEU A 50 1.534 0.789 -0.066 1.00 0.00 C ATOM 754 CG LEU A 50 0.568 -0.409 0.253 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.158 -1.196 -1.010 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.175 -1.338 1.330 1.00 0.00 C ATOM 0 H LEU A 50 2.083 3.444 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 50 0.883 1.472 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.443 0.382 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.820 1.254 0.878 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.349 0.022 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.509 -2.011 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.355 -0.530 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.048 -1.604 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.487 -2.159 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.123 -1.739 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.344 -0.772 2.246 1.00 0.00 H new ATOM 768 N CYS A 51 -1.346 2.551 -1.421 1.00 0.00 N ATOM 769 CA CYS A 51 -2.668 3.129 -1.090 1.00 0.00 C ATOM 770 C CYS A 51 -3.691 1.996 -1.014 1.00 0.00 C ATOM 771 O CYS A 51 -3.861 1.250 -1.978 1.00 0.00 O ATOM 772 CB CYS A 51 -3.068 4.181 -2.144 1.00 0.00 C ATOM 773 SG CYS A 51 -1.819 5.454 -2.382 1.00 0.00 S ATOM 0 H CYS A 51 -1.259 2.247 -2.391 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.628 3.635 -0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.254 3.681 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.004 4.651 -1.842 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.765 4.930 -2.934 1.00 0.00 H new ATOM 779 N VAL A 52 -4.374 1.880 0.138 1.00 0.00 N ATOM 780 CA VAL A 52 -5.276 0.763 0.450 1.00 0.00 C ATOM 781 C VAL A 52 -6.625 1.312 0.945 1.00 0.00 C ATOM 782 O VAL A 52 -6.662 2.164 1.844 1.00 0.00 O ATOM 783 CB VAL A 52 -4.657 -0.200 1.533 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.595 -1.395 1.857 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.256 -0.700 1.107 1.00 0.00 C ATOM 0 H VAL A 52 -4.313 2.570 0.887 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.424 0.184 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.546 0.384 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.127 -2.032 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.544 -1.019 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.773 -1.974 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.857 -1.362 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.334 -1.243 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.589 0.152 0.980 1.00 0.00 H new ATOM 795 N LEU A 53 -7.717 0.839 0.327 1.00 0.00 N ATOM 796 CA LEU A 53 -9.098 1.171 0.714 1.00 0.00 C ATOM 797 C LEU A 53 -9.758 -0.052 1.371 1.00 0.00 C ATOM 798 O LEU A 53 -9.536 -1.185 0.929 1.00 0.00 O ATOM 799 CB LEU A 53 -9.913 1.592 -0.535 1.00 0.00 C ATOM 800 CG LEU A 53 -11.389 2.036 -0.283 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.467 3.308 0.585 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.140 2.216 -1.614 1.00 0.00 C ATOM 0 H LEU A 53 -7.666 0.204 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.079 1.999 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.388 2.412 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.922 0.756 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.881 1.241 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.511 3.582 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.998 3.119 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.947 4.124 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.166 2.525 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.641 2.978 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.145 1.272 -2.159 1.00 0.00 H new ATOM 814 N TYR A 54 -10.597 0.203 2.391 1.00 0.00 N ATOM 815 CA TYR A 54 -11.355 -0.839 3.096 1.00 0.00 C ATOM 816 C TYR A 54 -12.497 -0.182 3.899 1.00 0.00 C ATOM 817 O TYR A 54 -12.236 0.505 4.878 1.00 0.00 O ATOM 818 CB TYR A 54 -10.420 -1.666 4.020 1.00 0.00 C ATOM 819 CG TYR A 54 -11.123 -2.817 4.757 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.631 -3.918 4.062 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.273 -2.805 6.142 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.274 -4.952 4.725 1.00 0.00 C ATOM 823 CE2 TYR A 54 -11.907 -3.833 6.807 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.405 -4.907 6.096 1.00 0.00 C ATOM 825 OH TYR A 54 -13.049 -5.933 6.766 1.00 0.00 O ATOM 0 H TYR A 54 -10.767 1.143 2.749 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.787 -1.528 2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.606 -2.075 3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.971 -0.999 4.756 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.521 -3.964 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.884 -1.971 6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.670 -5.789 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.014 -3.798 7.881 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.053 -5.744 7.728 1.00 0.00 H new ATOM 835 N GLN A 55 -13.749 -0.440 3.484 1.00 0.00 N ATOM 836 CA GLN A 55 -14.981 0.152 4.072 1.00 0.00 C ATOM 837 C GLN A 55 -14.916 1.698 4.187 1.00 0.00 C ATOM 838 O GLN A 55 -15.072 2.256 5.280 1.00 0.00 O ATOM 839 CB GLN A 55 -15.300 -0.506 5.447 1.00 0.00 C ATOM 840 CG GLN A 55 -15.469 -2.033 5.394 1.00 0.00 C ATOM 841 CD GLN A 55 -15.798 -2.644 6.751 1.00 0.00 C ATOM 842 OE1 GLN A 55 -14.911 -3.050 7.503 1.00 0.00 O ATOM 843 NE2 GLN A 55 -17.070 -2.679 7.096 1.00 0.00 N ATOM 0 H GLN A 55 -13.946 -1.079 2.714 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.797 -0.064 3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.499 -0.265 6.146 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.214 -0.065 5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.262 -2.281 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.552 -2.481 5.013 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.783 -2.336 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.341 -3.049 8.007 1.00 0.00 H new ATOM 852 N LYS A 56 -14.702 2.366 3.031 1.00 0.00 N ATOM 853 CA LYS A 56 -14.513 3.838 2.920 1.00 0.00 C ATOM 854 C LYS A 56 -13.399 4.375 3.873 1.00 0.00 C ATOM 855 O LYS A 56 -13.402 5.545 4.284 1.00 0.00 O ATOM 856 CB LYS A 56 -15.871 4.590 3.119 1.00 0.00 C ATOM 857 CG LYS A 56 -15.875 6.050 2.583 1.00 0.00 C ATOM 858 CD LYS A 56 -17.213 6.781 2.806 1.00 0.00 C ATOM 859 CE LYS A 56 -17.225 8.193 2.188 1.00 0.00 C ATOM 860 NZ LYS A 56 -16.206 9.094 2.803 1.00 0.00 N ATOM 0 H LYS A 56 -14.654 1.892 2.129 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.163 4.043 1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.661 4.029 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.113 4.604 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.078 6.610 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.649 6.038 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.022 6.192 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.409 6.855 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.040 8.119 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.215 8.632 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.299 10.049 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.354 9.135 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.253 8.727 2.605 1.00 0.00 H new ATOM 874 N HIS A 57 -12.415 3.515 4.190 1.00 0.00 N ATOM 875 CA HIS A 57 -11.226 3.915 4.956 1.00 0.00 C ATOM 876 C HIS A 57 -10.057 3.963 3.971 1.00 0.00 C ATOM 877 O HIS A 57 -9.537 2.920 3.559 1.00 0.00 O ATOM 878 CB HIS A 57 -10.936 2.934 6.140 1.00 0.00 C ATOM 879 CG HIS A 57 -9.901 3.411 7.135 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.042 3.259 8.500 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.706 4.030 6.962 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.987 3.759 9.111 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.164 4.227 8.199 1.00 0.00 N ATOM 0 H HIS A 57 -12.423 2.530 3.924 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.384 4.891 5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.869 2.747 6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.607 1.980 5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.265 4.315 6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.826 3.781 10.179 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.263 4.667 8.386 1.00 0.00 H new ATOM 892 N VAL A 58 -9.673 5.185 3.597 1.00 0.00 N ATOM 893 CA VAL A 58 -8.496 5.439 2.771 1.00 0.00 C ATOM 894 C VAL A 58 -7.280 5.537 3.687 1.00 0.00 C ATOM 895 O VAL A 58 -7.311 6.275 4.679 1.00 0.00 O ATOM 896 CB VAL A 58 -8.637 6.764 1.937 1.00 0.00 C ATOM 897 CG1 VAL A 58 -7.333 7.076 1.153 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.860 6.684 0.992 1.00 0.00 C ATOM 0 H VAL A 58 -10.176 6.032 3.862 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.386 4.620 2.061 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.802 7.588 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.461 7.998 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.506 7.193 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.115 6.256 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.941 7.610 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.735 5.846 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.766 6.539 1.581 1.00 0.00 H new ATOM 908 N HIS A 59 -6.233 4.777 3.362 1.00 0.00 N ATOM 909 CA HIS A 59 -4.952 4.844 4.075 1.00 0.00 C ATOM 910 C HIS A 59 -3.811 4.739 3.065 1.00 0.00 C ATOM 911 O HIS A 59 -3.846 3.885 2.183 1.00 0.00 O ATOM 912 CB HIS A 59 -4.823 3.752 5.170 1.00 0.00 C ATOM 913 CG HIS A 59 -3.753 4.083 6.181 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.408 3.875 5.956 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.839 4.638 7.412 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.722 4.302 6.996 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.565 4.766 7.891 1.00 0.00 N ATOM 0 H HIS A 59 -6.247 4.099 2.600 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.902 5.802 4.592 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.779 3.637 5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.594 2.795 4.701 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.746 4.927 7.922 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.647 4.275 7.096 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.310 5.158 8.797 1.00 0.00 H new ATOM 926 N THR A 60 -2.800 5.595 3.198 1.00 0.00 N ATOM 927 CA THR A 60 -1.574 5.526 2.401 1.00 0.00 C ATOM 928 C THR A 60 -0.411 5.151 3.332 1.00 0.00 C ATOM 929 O THR A 60 -0.320 5.660 4.457 1.00 0.00 O ATOM 930 CB THR A 60 -1.299 6.892 1.686 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.317 7.949 2.655 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.347 7.195 0.594 1.00 0.00 C ATOM 0 H THR A 60 -2.808 6.364 3.868 1.00 0.00 H new ATOM 0 HA THR A 60 -1.681 4.769 1.624 1.00 0.00 H new ATOM 0 HB THR A 60 -0.322 6.823 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.512 8.499 2.554 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.117 8.152 0.125 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.326 6.407 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.339 7.241 1.044 1.00 0.00 H new ATOM 940 N TYR A 61 0.439 4.229 2.883 1.00 0.00 N ATOM 941 CA TYR A 61 1.635 3.793 3.598 1.00 0.00 C ATOM 942 C TYR A 61 2.826 4.237 2.757 1.00 0.00 C ATOM 943 O TYR A 61 3.133 3.608 1.729 1.00 0.00 O ATOM 944 CB TYR A 61 1.649 2.245 3.773 1.00 0.00 C ATOM 945 CG TYR A 61 0.339 1.654 4.314 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.730 1.371 3.460 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.168 1.388 5.671 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.904 0.849 3.934 1.00 0.00 C ATOM 949 CE2 TYR A 61 -1.019 0.859 6.143 1.00 0.00 C ATOM 950 CZ TYR A 61 -2.048 0.592 5.264 1.00 0.00 C ATOM 951 OH TYR A 61 -3.223 0.057 5.715 1.00 0.00 O ATOM 0 H TYR A 61 0.311 3.753 1.990 1.00 0.00 H new ATOM 0 HA TYR A 61 1.666 4.227 4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.870 1.785 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.461 1.976 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.628 1.568 2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.971 1.597 6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.716 0.641 3.253 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.140 0.655 7.197 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.150 -0.920 5.740 1.00 0.00 H new ATOM 961 N ARG A 62 3.448 5.356 3.148 1.00 0.00 N ATOM 962 CA ARG A 62 4.602 5.897 2.437 1.00 0.00 C ATOM 963 C ARG A 62 5.860 5.153 2.898 1.00 0.00 C ATOM 964 O ARG A 62 6.386 5.382 3.992 1.00 0.00 O ATOM 965 CB ARG A 62 4.711 7.445 2.645 1.00 0.00 C ATOM 966 CG ARG A 62 4.726 7.922 4.122 1.00 0.00 C ATOM 967 CD ARG A 62 4.779 9.450 4.260 1.00 0.00 C ATOM 968 NE ARG A 62 4.767 9.872 5.679 1.00 0.00 N ATOM 969 CZ ARG A 62 4.496 11.105 6.121 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.223 12.089 5.277 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.498 11.355 7.420 1.00 0.00 N ATOM 0 H ARG A 62 3.165 5.905 3.960 1.00 0.00 H new ATOM 0 HA ARG A 62 4.486 5.743 1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.621 7.796 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.874 7.922 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.836 7.548 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.587 7.487 4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.679 9.828 3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.928 9.892 3.742 1.00 0.00 H new ATOM 0 HE ARG A 62 4.984 9.162 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.217 11.912 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.019 13.023 5.632 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.706 10.608 8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.292 12.295 7.759 1.00 0.00 H new ATOM 985 N ILE A 63 6.263 4.160 2.102 1.00 0.00 N ATOM 986 CA ILE A 63 7.603 3.585 2.188 1.00 0.00 C ATOM 987 C ILE A 63 8.627 4.579 1.648 1.00 0.00 C ATOM 988 O ILE A 63 8.552 5.001 0.493 1.00 0.00 O ATOM 989 CB ILE A 63 7.676 2.273 1.322 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.564 1.258 1.731 1.00 0.00 C ATOM 991 CG2 ILE A 63 9.077 1.627 1.367 1.00 0.00 C ATOM 992 CD1 ILE A 63 6.471 0.035 0.832 1.00 0.00 C ATOM 0 H ILE A 63 5.673 3.736 1.386 1.00 0.00 H new ATOM 0 HA ILE A 63 7.820 3.356 3.231 1.00 0.00 H new ATOM 0 HB ILE A 63 7.493 2.563 0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.747 0.929 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.602 1.770 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.081 0.725 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.815 2.331 0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.326 1.369 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.674 -0.618 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.255 0.350 -0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.418 -0.505 0.853 1.00 0.00 H new ATOM 1004 N LEU A 64 9.569 4.950 2.508 1.00 0.00 N ATOM 1005 CA LEU A 64 10.725 5.757 2.133 1.00 0.00 C ATOM 1006 C LEU A 64 11.911 4.773 2.012 1.00 0.00 C ATOM 1007 O LEU A 64 12.119 3.973 2.939 1.00 0.00 O ATOM 1008 CB LEU A 64 11.015 6.887 3.181 1.00 0.00 C ATOM 1009 CG LEU A 64 10.052 8.130 3.188 1.00 0.00 C ATOM 1010 CD1 LEU A 64 8.595 7.756 3.525 1.00 0.00 C ATOM 1011 CD2 LEU A 64 10.573 9.231 4.143 1.00 0.00 C ATOM 0 H LEU A 64 9.552 4.696 3.496 1.00 0.00 H new ATOM 0 HA LEU A 64 10.548 6.278 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.994 6.439 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.030 7.248 3.015 1.00 0.00 H new ATOM 0 HG LEU A 64 10.047 8.524 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.977 8.654 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.220 7.049 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.556 7.300 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.888 10.079 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.637 8.834 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.561 9.557 3.818 1.00 0.00 H new ATOM 1023 N PRO A 65 12.657 4.755 0.854 1.00 0.00 N ATOM 1024 CA PRO A 65 13.834 3.883 0.693 1.00 0.00 C ATOM 1025 C PRO A 65 14.865 4.133 1.811 1.00 0.00 C ATOM 1026 O PRO A 65 15.199 3.206 2.548 1.00 0.00 O ATOM 1027 CB PRO A 65 14.375 4.219 -0.732 1.00 0.00 C ATOM 1028 CG PRO A 65 13.698 5.501 -1.123 1.00 0.00 C ATOM 1029 CD PRO A 65 12.388 5.538 -0.375 1.00 0.00 C ATOM 0 HA PRO A 65 13.597 2.823 0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.459 4.334 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.144 3.421 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.316 6.361 -0.865 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.531 5.539 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.091 6.560 -0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.581 5.098 -0.961 1.00 0.00 H new ATOM 1037 N ASP A 66 15.399 5.373 1.851 1.00 0.00 N ATOM 1038 CA ASP A 66 16.092 5.985 3.014 1.00 0.00 C ATOM 1039 C ASP A 66 17.594 5.993 2.711 1.00 0.00 C ATOM 1040 O ASP A 66 18.120 7.010 2.242 1.00 0.00 O ATOM 1041 CB ASP A 66 15.762 5.348 4.412 1.00 0.00 C ATOM 1042 CG ASP A 66 16.553 5.979 5.577 1.00 0.00 C ATOM 1043 OD1 ASP A 66 17.671 5.500 5.891 1.00 0.00 O ATOM 1044 OD2 ASP A 66 16.068 6.958 6.182 1.00 0.00 O ATOM 0 H ASP A 66 15.360 6.000 1.048 1.00 0.00 H new ATOM 0 HA ASP A 66 15.712 7.000 3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.695 5.454 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.975 4.280 4.375 1.00 0.00 H new ATOM 1049 N GLY A 67 18.285 4.857 2.942 1.00 0.00 N ATOM 1050 CA GLY A 67 19.697 4.730 2.581 1.00 0.00 C ATOM 1051 C GLY A 67 19.921 4.221 1.155 1.00 0.00 C ATOM 1052 O GLY A 67 20.965 3.620 0.888 1.00 0.00 O ATOM 0 H GLY A 67 17.884 4.025 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.180 5.701 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.183 4.050 3.281 1.00 0.00 H new ATOM 1056 N GLU A 68 18.939 4.451 0.241 1.00 0.00 N ATOM 1057 CA GLU A 68 19.021 4.110 -1.212 1.00 0.00 C ATOM 1058 C GLU A 68 19.235 2.603 -1.557 1.00 0.00 C ATOM 1059 O GLU A 68 19.240 2.252 -2.741 1.00 0.00 O ATOM 1060 CB GLU A 68 20.109 5.003 -1.886 1.00 0.00 C ATOM 1061 CG GLU A 68 19.852 6.520 -1.717 1.00 0.00 C ATOM 1062 CD GLU A 68 20.982 7.412 -2.251 1.00 0.00 C ATOM 1063 OE1 GLU A 68 20.997 7.726 -3.456 1.00 0.00 O ATOM 1064 OE2 GLU A 68 21.865 7.803 -1.457 1.00 0.00 O ATOM 0 H GLU A 68 18.052 4.886 0.495 1.00 0.00 H new ATOM 0 HA GLU A 68 18.031 4.320 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.083 4.758 -1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.155 4.766 -2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.926 6.780 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.702 6.736 -0.659 1.00 0.00 H new ATOM 1071 N ASP A 69 19.408 1.723 -0.547 1.00 0.00 N ATOM 1072 CA ASP A 69 19.659 0.270 -0.756 1.00 0.00 C ATOM 1073 C ASP A 69 18.387 -0.544 -0.518 1.00 0.00 C ATOM 1074 O ASP A 69 18.067 -1.456 -1.275 1.00 0.00 O ATOM 1075 CB ASP A 69 20.792 -0.245 0.190 1.00 0.00 C ATOM 1076 CG ASP A 69 22.191 0.193 -0.262 1.00 0.00 C ATOM 1077 OD1 ASP A 69 22.747 -0.445 -1.186 1.00 0.00 O ATOM 1078 OD2 ASP A 69 22.738 1.176 0.284 1.00 0.00 O ATOM 0 H ASP A 69 19.379 1.994 0.436 1.00 0.00 H new ATOM 0 HA ASP A 69 19.976 0.139 -1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 69 20.610 0.122 1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.754 -1.333 0.235 1.00 0.00 H new ATOM 1083 N PHE A 70 17.691 -0.198 0.557 1.00 0.00 N ATOM 1084 CA PHE A 70 16.497 -0.910 1.047 1.00 0.00 C ATOM 1085 C PHE A 70 15.269 -0.019 0.855 1.00 0.00 C ATOM 1086 O PHE A 70 15.418 1.185 0.679 1.00 0.00 O ATOM 1087 CB PHE A 70 16.695 -1.271 2.548 1.00 0.00 C ATOM 1088 CG PHE A 70 17.080 -0.102 3.475 1.00 0.00 C ATOM 1089 CD1 PHE A 70 18.410 0.313 3.597 1.00 0.00 C ATOM 1090 CD2 PHE A 70 16.118 0.575 4.228 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.763 1.364 4.429 1.00 0.00 C ATOM 1092 CE2 PHE A 70 16.473 1.626 5.062 1.00 0.00 C ATOM 1093 CZ PHE A 70 17.795 2.019 5.162 1.00 0.00 C ATOM 0 H PHE A 70 17.940 0.605 1.134 1.00 0.00 H new ATOM 0 HA PHE A 70 16.348 -1.833 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.772 -1.716 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.468 -2.036 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 70 19.177 -0.195 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 70 15.082 0.276 4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 70 19.796 1.670 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 70 15.714 2.139 5.635 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.069 2.837 5.812 1.00 0.00 H new ATOM 1103 N LEU A 71 14.065 -0.616 0.824 1.00 0.00 N ATOM 1104 CA LEU A 71 12.795 0.127 0.960 1.00 0.00 C ATOM 1105 C LEU A 71 12.172 -0.240 2.321 1.00 0.00 C ATOM 1106 O LEU A 71 11.847 -1.395 2.577 1.00 0.00 O ATOM 1107 CB LEU A 71 11.852 -0.118 -0.282 1.00 0.00 C ATOM 1108 CG LEU A 71 11.323 -1.577 -0.593 1.00 0.00 C ATOM 1109 CD1 LEU A 71 9.991 -1.910 0.131 1.00 0.00 C ATOM 1110 CD2 LEU A 71 11.180 -1.819 -2.120 1.00 0.00 C ATOM 0 H LEU A 71 13.942 -1.622 0.705 1.00 0.00 H new ATOM 0 HA LEU A 71 12.966 1.204 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.980 0.525 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.384 0.231 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 71 12.080 -2.255 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.682 -2.924 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.134 -1.834 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.220 -1.206 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.815 -2.831 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.474 -1.101 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.151 -1.695 -2.600 1.00 0.00 H new ATOM 1122 N ALA A 72 12.109 0.742 3.238 1.00 0.00 N ATOM 1123 CA ALA A 72 11.618 0.527 4.612 1.00 0.00 C ATOM 1124 C ALA A 72 10.192 1.066 4.775 1.00 0.00 C ATOM 1125 O ALA A 72 9.929 2.246 4.507 1.00 0.00 O ATOM 1126 CB ALA A 72 12.578 1.184 5.608 1.00 0.00 C ATOM 0 H ALA A 72 12.395 1.703 3.049 1.00 0.00 H new ATOM 0 HA ALA A 72 11.584 -0.544 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.214 1.025 6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.569 0.742 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.635 2.254 5.407 1.00 0.00 H new ATOM 1132 N VAL A 73 9.294 0.188 5.234 1.00 0.00 N ATOM 1133 CA VAL A 73 7.860 0.488 5.373 1.00 0.00 C ATOM 1134 C VAL A 73 7.612 1.159 6.726 1.00 0.00 C ATOM 1135 O VAL A 73 8.037 0.643 7.757 1.00 0.00 O ATOM 1136 CB VAL A 73 6.983 -0.818 5.277 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.465 -0.487 5.240 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.411 -1.684 4.073 1.00 0.00 C ATOM 0 H VAL A 73 9.541 -0.759 5.522 1.00 0.00 H new ATOM 0 HA VAL A 73 7.574 1.153 4.558 1.00 0.00 H new ATOM 0 HB VAL A 73 7.157 -1.402 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.892 -1.412 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.187 0.048 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.250 0.136 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.790 -2.579 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.289 -1.113 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.456 -1.972 4.186 1.00 0.00 H new ATOM 1148 N GLN A 74 6.883 2.283 6.719 1.00 0.00 N ATOM 1149 CA GLN A 74 6.600 3.057 7.936 1.00 0.00 C ATOM 1150 C GLN A 74 5.217 2.637 8.444 1.00 0.00 C ATOM 1151 O GLN A 74 4.194 3.125 7.958 1.00 0.00 O ATOM 1152 CB GLN A 74 6.687 4.603 7.667 1.00 0.00 C ATOM 1153 CG GLN A 74 8.116 5.204 7.730 1.00 0.00 C ATOM 1154 CD GLN A 74 9.120 4.565 6.759 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.259 4.995 5.614 1.00 0.00 O ATOM 1156 NE2 GLN A 74 9.835 3.538 7.215 1.00 0.00 N ATOM 0 H GLN A 74 6.474 2.680 5.873 1.00 0.00 H new ATOM 0 HA GLN A 74 7.349 2.848 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.266 4.809 6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.061 5.118 8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.057 6.272 7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.496 5.099 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.697 3.204 8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.520 3.085 6.610 1.00 0.00 H new ATOM 1165 N THR A 75 5.203 1.651 9.356 1.00 0.00 N ATOM 1166 CA THR A 75 3.982 1.207 10.034 1.00 0.00 C ATOM 1167 C THR A 75 3.711 2.175 11.202 1.00 0.00 C ATOM 1168 O THR A 75 2.747 2.950 11.151 1.00 0.00 O ATOM 1169 CB THR A 75 4.125 -0.281 10.516 1.00 0.00 C ATOM 1170 OG1 THR A 75 5.356 -0.439 11.250 1.00 0.00 O ATOM 1171 CG2 THR A 75 4.110 -1.279 9.335 1.00 0.00 C ATOM 0 H THR A 75 6.039 1.142 9.641 1.00 0.00 H new ATOM 0 HA THR A 75 3.133 1.225 9.351 1.00 0.00 H new ATOM 0 HB THR A 75 3.269 -0.500 11.154 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.441 -1.368 11.550 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.212 -2.295 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.169 -1.187 8.793 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.939 -1.059 8.662 1.00 0.00 H new ATOM 1179 N SER A 76 4.612 2.166 12.217 1.00 0.00 N ATOM 1180 CA SER A 76 4.615 3.131 13.339 1.00 0.00 C ATOM 1181 C SER A 76 5.985 3.108 14.047 1.00 0.00 C ATOM 1182 O SER A 76 6.523 2.024 14.312 1.00 0.00 O ATOM 1183 CB SER A 76 3.507 2.811 14.391 1.00 0.00 C ATOM 1184 OG SER A 76 2.207 2.819 13.826 1.00 0.00 O ATOM 0 H SER A 76 5.364 1.480 12.277 1.00 0.00 H new ATOM 0 HA SER A 76 4.416 4.116 12.916 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.702 1.834 14.834 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.554 3.542 15.198 1.00 0.00 H new ATOM 0 HG SER A 76 2.268 3.010 12.867 1.00 0.00 H new ATOM 1190 N GLN A 77 6.551 4.296 14.341 1.00 0.00 N ATOM 1191 CA GLN A 77 7.664 4.416 15.302 1.00 0.00 C ATOM 1192 C GLN A 77 7.069 4.173 16.702 1.00 0.00 C ATOM 1193 O GLN A 77 6.433 5.071 17.267 1.00 0.00 O ATOM 1194 CB GLN A 77 8.339 5.814 15.218 1.00 0.00 C ATOM 1195 CG GLN A 77 8.971 6.160 13.850 1.00 0.00 C ATOM 1196 CD GLN A 77 9.606 7.559 13.803 1.00 0.00 C ATOM 1197 OE1 GLN A 77 9.170 8.484 14.499 1.00 0.00 O ATOM 1198 NE2 GLN A 77 10.633 7.723 12.982 1.00 0.00 N ATOM 0 H GLN A 77 6.257 5.181 13.929 1.00 0.00 H new ATOM 0 HA GLN A 77 8.443 3.688 15.078 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.595 6.574 15.459 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.113 5.872 15.983 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.732 5.416 13.612 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.205 6.091 13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.968 6.939 12.422 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.088 8.633 12.910 1.00 0.00 H new ATOM 1207 N GLY A 78 7.223 2.951 17.231 1.00 0.00 N ATOM 1208 CA GLY A 78 6.435 2.485 18.375 1.00 0.00 C ATOM 1209 C GLY A 78 6.191 0.984 18.275 1.00 0.00 C ATOM 1210 O GLY A 78 6.047 0.301 19.296 1.00 0.00 O ATOM 0 H GLY A 78 7.892 2.265 16.880 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.959 2.714 19.303 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.482 3.013 18.408 1.00 0.00 H new ATOM 1214 N VAL A 79 6.148 0.471 17.021 1.00 0.00 N ATOM 1215 CA VAL A 79 5.974 -0.972 16.716 1.00 0.00 C ATOM 1216 C VAL A 79 7.116 -1.446 15.779 1.00 0.00 C ATOM 1217 O VAL A 79 7.662 -0.619 15.033 1.00 0.00 O ATOM 1218 CB VAL A 79 4.565 -1.275 16.050 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.403 -0.751 16.928 1.00 0.00 C ATOM 1220 CG2 VAL A 79 4.474 -0.745 14.591 1.00 0.00 C ATOM 0 H VAL A 79 6.234 1.051 16.186 1.00 0.00 H new ATOM 0 HA VAL A 79 6.013 -1.519 17.658 1.00 0.00 H new ATOM 0 HB VAL A 79 4.468 -2.359 15.990 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.452 -0.974 16.444 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.436 -1.236 17.903 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.501 0.327 17.056 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.491 -0.977 14.180 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.624 0.335 14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.243 -1.221 13.983 1.00 0.00 H new ATOM 1230 N PRO A 80 7.515 -2.770 15.806 1.00 0.00 N ATOM 1231 CA PRO A 80 8.568 -3.323 14.904 1.00 0.00 C ATOM 1232 C PRO A 80 8.349 -2.993 13.396 1.00 0.00 C ATOM 1233 O PRO A 80 7.357 -3.426 12.793 1.00 0.00 O ATOM 1234 CB PRO A 80 8.495 -4.851 15.169 1.00 0.00 C ATOM 1235 CG PRO A 80 8.005 -4.948 16.585 1.00 0.00 C ATOM 1236 CD PRO A 80 7.009 -3.819 16.738 1.00 0.00 C ATOM 0 HA PRO A 80 9.543 -2.884 15.114 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.814 -5.345 14.476 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.470 -5.324 15.050 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.537 -5.914 16.775 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.827 -4.847 17.294 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.000 -4.137 16.473 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.970 -3.456 17.765 1.00 0.00 H new ATOM 1244 N VAL A 81 9.263 -2.175 12.837 1.00 0.00 N ATOM 1245 CA VAL A 81 9.281 -1.783 11.418 1.00 0.00 C ATOM 1246 C VAL A 81 9.696 -2.982 10.527 1.00 0.00 C ATOM 1247 O VAL A 81 10.539 -3.795 10.919 1.00 0.00 O ATOM 1248 CB VAL A 81 10.259 -0.552 11.206 1.00 0.00 C ATOM 1249 CG1 VAL A 81 11.692 -0.854 11.714 1.00 0.00 C ATOM 1250 CG2 VAL A 81 10.282 -0.091 9.735 1.00 0.00 C ATOM 0 H VAL A 81 10.025 -1.761 13.374 1.00 0.00 H new ATOM 0 HA VAL A 81 8.276 -1.479 11.124 1.00 0.00 H new ATOM 0 HB VAL A 81 9.865 0.267 11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.327 0.016 11.549 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.660 -1.083 12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.098 -1.708 11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.963 0.754 9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.620 -0.911 9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.279 0.211 9.433 1.00 0.00 H new ATOM 1260 N ARG A 82 9.055 -3.108 9.353 1.00 0.00 N ATOM 1261 CA ARG A 82 9.386 -4.133 8.346 1.00 0.00 C ATOM 1262 C ARG A 82 10.031 -3.468 7.127 1.00 0.00 C ATOM 1263 O ARG A 82 9.435 -2.588 6.505 1.00 0.00 O ATOM 1264 CB ARG A 82 8.111 -4.919 7.933 1.00 0.00 C ATOM 1265 CG ARG A 82 7.432 -5.734 9.067 1.00 0.00 C ATOM 1266 CD ARG A 82 8.266 -6.951 9.549 1.00 0.00 C ATOM 1267 NE ARG A 82 9.510 -6.567 10.257 1.00 0.00 N ATOM 1268 CZ ARG A 82 10.623 -7.313 10.340 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.677 -8.522 9.797 1.00 0.00 N ATOM 1270 NH2 ARG A 82 11.687 -6.837 10.965 1.00 0.00 N ATOM 0 H ARG A 82 8.287 -2.498 9.073 1.00 0.00 H new ATOM 0 HA ARG A 82 10.094 -4.841 8.776 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.384 -4.213 7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.372 -5.602 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.246 -5.074 9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.461 -6.086 8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.653 -7.563 10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.522 -7.570 8.689 1.00 0.00 H new ATOM 0 HE ARG A 82 9.522 -5.659 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.865 -8.898 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.531 -9.076 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.660 -5.906 11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.535 -7.401 11.030 1.00 0.00 H new ATOM 1284 N ARG A 83 11.271 -3.856 6.828 1.00 0.00 N ATOM 1285 CA ARG A 83 11.989 -3.447 5.617 1.00 0.00 C ATOM 1286 C ARG A 83 11.960 -4.592 4.598 1.00 0.00 C ATOM 1287 O ARG A 83 11.996 -5.764 4.972 1.00 0.00 O ATOM 1288 CB ARG A 83 13.448 -3.043 6.007 1.00 0.00 C ATOM 1289 CG ARG A 83 14.448 -2.798 4.842 1.00 0.00 C ATOM 1290 CD ARG A 83 15.191 -4.078 4.377 1.00 0.00 C ATOM 1291 NE ARG A 83 15.871 -4.758 5.491 1.00 0.00 N ATOM 1292 CZ ARG A 83 16.427 -5.978 5.446 1.00 0.00 C ATOM 1293 NH1 ARG A 83 16.440 -6.692 4.326 1.00 0.00 N ATOM 1294 NH2 ARG A 83 16.992 -6.467 6.526 1.00 0.00 N ATOM 0 H ARG A 83 11.815 -4.474 7.430 1.00 0.00 H new ATOM 0 HA ARG A 83 11.511 -2.583 5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 83 13.399 -2.135 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.857 -3.826 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.908 -2.374 3.995 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.182 -2.056 5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 83 14.479 -4.762 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.922 -3.815 3.613 1.00 0.00 H new ATOM 0 HE ARG A 83 15.924 -4.256 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 83 16.021 -6.315 3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 83 16.869 -7.617 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.005 -5.920 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.418 -7.394 6.504 1.00 0.00 H new ATOM 1308 N PHE A 84 11.921 -4.236 3.312 1.00 0.00 N ATOM 1309 CA PHE A 84 12.003 -5.190 2.191 1.00 0.00 C ATOM 1310 C PHE A 84 13.006 -4.653 1.153 1.00 0.00 C ATOM 1311 O PHE A 84 13.399 -3.484 1.208 1.00 0.00 O ATOM 1312 CB PHE A 84 10.595 -5.418 1.567 1.00 0.00 C ATOM 1313 CG PHE A 84 9.542 -5.868 2.582 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.549 -7.166 3.087 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.573 -4.986 3.057 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.619 -7.571 4.024 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.649 -5.391 4.001 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.672 -6.681 4.481 1.00 0.00 C ATOM 0 H PHE A 84 11.831 -3.266 3.010 1.00 0.00 H new ATOM 0 HA PHE A 84 12.355 -6.158 2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.262 -4.494 1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.673 -6.168 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.294 -7.867 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.544 -3.973 2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.634 -8.584 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.907 -4.694 4.363 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.947 -6.996 5.217 1.00 0.00 H new ATOM 1328 N GLN A 85 13.466 -5.523 0.254 1.00 0.00 N ATOM 1329 CA GLN A 85 14.312 -5.127 -0.898 1.00 0.00 C ATOM 1330 C GLN A 85 13.443 -5.035 -2.164 1.00 0.00 C ATOM 1331 O GLN A 85 13.774 -4.305 -3.103 1.00 0.00 O ATOM 1332 CB GLN A 85 15.470 -6.153 -1.083 1.00 0.00 C ATOM 1333 CG GLN A 85 16.471 -5.876 -2.229 1.00 0.00 C ATOM 1334 CD GLN A 85 17.163 -4.516 -2.127 1.00 0.00 C ATOM 1335 OE1 GLN A 85 16.693 -3.527 -2.690 1.00 0.00 O ATOM 1336 NE2 GLN A 85 18.272 -4.445 -1.394 1.00 0.00 N ATOM 0 H GLN A 85 13.269 -6.523 0.294 1.00 0.00 H new ATOM 0 HA GLN A 85 14.755 -4.149 -0.712 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.029 -6.206 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.030 -7.136 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.229 -6.660 -2.235 1.00 0.00 H new ATOM 0 HG3 GLN A 85 15.944 -5.935 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.637 -5.282 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 85 18.756 -3.554 -1.287 1.00 0.00 H new ATOM 1345 N THR A 86 12.285 -5.710 -2.142 1.00 0.00 N ATOM 1346 CA THR A 86 11.433 -5.906 -3.319 1.00 0.00 C ATOM 1347 C THR A 86 9.964 -5.717 -2.893 1.00 0.00 C ATOM 1348 O THR A 86 9.576 -6.116 -1.783 1.00 0.00 O ATOM 1349 CB THR A 86 11.648 -7.341 -3.941 1.00 0.00 C ATOM 1350 OG1 THR A 86 13.040 -7.529 -4.246 1.00 0.00 O ATOM 1351 CG2 THR A 86 10.813 -7.579 -5.222 1.00 0.00 C ATOM 0 H THR A 86 11.911 -6.139 -1.296 1.00 0.00 H new ATOM 0 HA THR A 86 11.697 -5.177 -4.085 1.00 0.00 H new ATOM 0 HB THR A 86 11.310 -8.061 -3.196 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.173 -8.421 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.005 -8.583 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.753 -7.476 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.092 -6.846 -5.979 1.00 0.00 H new ATOM 1359 N LEU A 87 9.174 -5.087 -3.771 1.00 0.00 N ATOM 1360 CA LEU A 87 7.729 -4.877 -3.555 1.00 0.00 C ATOM 1361 C LEU A 87 6.976 -6.220 -3.446 1.00 0.00 C ATOM 1362 O LEU A 87 5.984 -6.302 -2.742 1.00 0.00 O ATOM 1363 CB LEU A 87 7.130 -4.012 -4.690 1.00 0.00 C ATOM 1364 CG LEU A 87 7.666 -2.549 -4.784 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.078 -1.817 -6.012 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.395 -1.768 -3.475 1.00 0.00 C ATOM 0 H LEU A 87 9.515 -4.706 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 87 7.607 -4.347 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.321 -4.511 -5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.048 -3.975 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 87 8.747 -2.598 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.469 -0.800 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.358 -2.349 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.992 -1.785 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.780 -0.753 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.322 -1.733 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.893 -2.267 -2.644 1.00 0.00 H new ATOM 1378 N GLY A 88 7.465 -7.258 -4.150 1.00 0.00 N ATOM 1379 CA GLY A 88 6.916 -8.622 -4.028 1.00 0.00 C ATOM 1380 C GLY A 88 6.967 -9.184 -2.599 1.00 0.00 C ATOM 1381 O GLY A 88 6.061 -9.920 -2.181 1.00 0.00 O ATOM 0 H GLY A 88 8.239 -7.178 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.881 -8.619 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.470 -9.287 -4.690 1.00 0.00 H new ATOM 1385 N GLU A 89 8.025 -8.812 -1.847 1.00 0.00 N ATOM 1386 CA GLU A 89 8.186 -9.185 -0.420 1.00 0.00 C ATOM 1387 C GLU A 89 7.155 -8.440 0.446 1.00 0.00 C ATOM 1388 O GLU A 89 6.580 -9.016 1.382 1.00 0.00 O ATOM 1389 CB GLU A 89 9.610 -8.845 0.075 1.00 0.00 C ATOM 1390 CG GLU A 89 10.753 -9.553 -0.658 1.00 0.00 C ATOM 1391 CD GLU A 89 12.128 -9.136 -0.107 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.518 -9.624 0.974 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.810 -8.301 -0.729 1.00 0.00 O ATOM 0 H GLU A 89 8.792 -8.245 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 89 8.025 -10.259 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.758 -7.769 -0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.675 -9.091 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.634 -10.632 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.702 -9.321 -1.722 1.00 0.00 H new ATOM 1400 N LEU A 90 6.940 -7.144 0.108 1.00 0.00 N ATOM 1401 CA LEU A 90 5.943 -6.279 0.768 1.00 0.00 C ATOM 1402 C LEU A 90 4.548 -6.912 0.673 1.00 0.00 C ATOM 1403 O LEU A 90 3.953 -7.260 1.685 1.00 0.00 O ATOM 1404 CB LEU A 90 5.935 -4.862 0.111 1.00 0.00 C ATOM 1405 CG LEU A 90 4.787 -3.886 0.563 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.007 -3.366 1.999 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.593 -2.733 -0.454 1.00 0.00 C ATOM 0 H LEU A 90 7.458 -6.672 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 90 6.213 -6.176 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.892 -4.383 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.871 -4.987 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 90 3.859 -4.458 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.192 -2.695 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.032 -4.208 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.953 -2.827 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.793 -2.077 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.518 -2.163 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.332 -3.147 -1.428 1.00 0.00 H new ATOM 1419 N ILE A 91 4.085 -7.097 -0.574 1.00 0.00 N ATOM 1420 CA ILE A 91 2.751 -7.634 -0.893 1.00 0.00 C ATOM 1421 C ILE A 91 2.585 -9.056 -0.312 1.00 0.00 C ATOM 1422 O ILE A 91 1.525 -9.396 0.226 1.00 0.00 O ATOM 1423 CB ILE A 91 2.511 -7.654 -2.457 1.00 0.00 C ATOM 1424 CG1 ILE A 91 2.865 -6.271 -3.110 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.064 -8.072 -2.804 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.151 -5.063 -2.533 1.00 0.00 C ATOM 0 H ILE A 91 4.636 -6.874 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 91 2.007 -6.980 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 91 3.183 -8.403 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.939 -6.112 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.641 -6.326 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.936 -8.075 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.870 -9.071 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.364 -7.366 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.472 -4.164 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.074 -5.187 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.393 -4.969 -1.474 1.00 0.00 H new ATOM 1438 N GLY A 92 3.667 -9.850 -0.415 1.00 0.00 N ATOM 1439 CA GLY A 92 3.710 -11.226 0.088 1.00 0.00 C ATOM 1440 C GLY A 92 3.363 -11.353 1.570 1.00 0.00 C ATOM 1441 O GLY A 92 2.434 -12.089 1.933 1.00 0.00 O ATOM 0 H GLY A 92 4.538 -9.549 -0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.017 -11.836 -0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.708 -11.632 -0.078 1.00 0.00 H new ATOM 1445 N LEU A 93 4.096 -10.612 2.419 1.00 0.00 N ATOM 1446 CA LEU A 93 3.883 -10.624 3.879 1.00 0.00 C ATOM 1447 C LEU A 93 2.600 -9.856 4.255 1.00 0.00 C ATOM 1448 O LEU A 93 1.913 -10.217 5.203 1.00 0.00 O ATOM 1449 CB LEU A 93 5.094 -10.007 4.635 1.00 0.00 C ATOM 1450 CG LEU A 93 4.990 -10.028 6.204 1.00 0.00 C ATOM 1451 CD1 LEU A 93 5.017 -11.474 6.758 1.00 0.00 C ATOM 1452 CD2 LEU A 93 6.071 -9.142 6.858 1.00 0.00 C ATOM 0 H LEU A 93 4.847 -9.992 2.117 1.00 0.00 H new ATOM 0 HA LEU A 93 3.778 -11.667 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.996 -10.543 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.216 -8.974 4.309 1.00 0.00 H new ATOM 0 HG LEU A 93 4.023 -9.601 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.943 -11.449 7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.176 -12.036 6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.950 -11.957 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.967 -9.182 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.059 -9.505 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.951 -8.113 6.520 1.00 0.00 H new ATOM 1464 N TYR A 94 2.293 -8.783 3.512 1.00 0.00 N ATOM 1465 CA TYR A 94 1.180 -7.868 3.856 1.00 0.00 C ATOM 1466 C TYR A 94 -0.174 -8.334 3.290 1.00 0.00 C ATOM 1467 O TYR A 94 -1.189 -7.682 3.529 1.00 0.00 O ATOM 1468 CB TYR A 94 1.520 -6.404 3.434 1.00 0.00 C ATOM 1469 CG TYR A 94 2.542 -5.669 4.338 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.570 -6.349 5.003 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.461 -4.285 4.533 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.462 -5.683 5.822 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.352 -3.620 5.355 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.352 -4.321 5.993 1.00 0.00 C ATOM 1475 OH TYR A 94 5.237 -3.655 6.814 1.00 0.00 O ATOM 0 H TYR A 94 2.798 -8.522 2.665 1.00 0.00 H new ATOM 0 HA TYR A 94 1.068 -7.890 4.940 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.907 -6.419 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.596 -5.826 3.415 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.668 -7.417 4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.686 -3.725 4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.244 -6.230 6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.264 -2.553 5.497 1.00 0.00 H new ATOM 0 HH TYR A 94 4.744 -3.215 7.538 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.195 -9.488 2.588 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.449 -10.123 2.093 1.00 0.00 C ATOM 1487 C ALA A 95 -2.188 -10.922 3.201 1.00 0.00 C ATOM 1488 O ALA A 95 -3.179 -11.610 2.924 1.00 0.00 O ATOM 1489 CB ALA A 95 -1.138 -11.036 0.897 1.00 0.00 C ATOM 0 H ALA A 95 0.649 -10.008 2.346 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.117 -9.321 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.060 -11.496 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.694 -10.446 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.439 -11.814 1.205 1.00 0.00 H new ATOM 1495 N GLN A 96 -1.721 -10.783 4.448 1.00 0.00 N ATOM 1496 CA GLN A 96 -2.286 -11.447 5.641 1.00 0.00 C ATOM 1497 C GLN A 96 -2.320 -10.418 6.799 1.00 0.00 C ATOM 1498 O GLN A 96 -1.667 -9.388 6.687 1.00 0.00 O ATOM 1499 CB GLN A 96 -1.422 -12.695 5.999 1.00 0.00 C ATOM 1500 CG GLN A 96 0.061 -12.393 6.273 1.00 0.00 C ATOM 1501 CD GLN A 96 0.897 -13.642 6.541 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.428 -14.258 5.616 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.026 -14.020 7.799 1.00 0.00 N ATOM 0 H GLN A 96 -0.919 -10.191 4.666 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.302 -11.795 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.849 -13.176 6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.488 -13.412 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.479 -11.862 5.418 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.135 -11.725 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.573 -13.487 8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.579 -14.845 8.029 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.119 -10.645 7.896 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.079 -9.797 9.126 1.00 0.00 C ATOM 1514 C PRO A 97 -1.635 -9.568 9.669 1.00 0.00 C ATOM 1515 O PRO A 97 -0.931 -10.526 10.018 1.00 0.00 O ATOM 1516 CB PRO A 97 -3.948 -10.599 10.125 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.941 -11.302 9.252 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.181 -11.688 7.998 1.00 0.00 C ATOM 0 HA PRO A 97 -3.443 -8.786 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -3.349 -11.306 10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.440 -9.943 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.347 -12.182 9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.784 -10.652 9.015 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.754 -12.688 8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.828 -11.688 7.121 1.00 0.00 H new ATOM 1526 N ASN A 98 -1.219 -8.290 9.700 1.00 0.00 N ATOM 1527 CA ASN A 98 0.153 -7.880 10.080 1.00 0.00 C ATOM 1528 C ASN A 98 0.166 -7.231 11.475 1.00 0.00 C ATOM 1529 O ASN A 98 0.412 -7.923 12.477 1.00 0.00 O ATOM 1530 CB ASN A 98 0.759 -6.901 9.034 1.00 0.00 C ATOM 1531 CG ASN A 98 0.969 -7.538 7.670 1.00 0.00 C ATOM 1532 OD1 ASN A 98 0.114 -7.451 6.809 1.00 0.00 O ATOM 1533 ND2 ASN A 98 2.107 -8.186 7.468 1.00 0.00 N ATOM 0 H ASN A 98 -1.825 -7.505 9.462 1.00 0.00 H new ATOM 0 HA ASN A 98 0.767 -8.780 10.106 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.100 -6.039 8.928 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.714 -6.528 9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.288 -8.631 6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.802 -8.239 8.212 1.00 0.00 H new ATOM 1540 N GLN A 99 -0.255 -5.944 11.519 1.00 0.00 N ATOM 1541 CA GLN A 99 0.103 -4.958 12.569 1.00 0.00 C ATOM 1542 C GLN A 99 0.143 -3.557 11.918 1.00 0.00 C ATOM 1543 O GLN A 99 1.085 -3.243 11.180 1.00 0.00 O ATOM 1544 CB GLN A 99 1.480 -5.245 13.253 1.00 0.00 C ATOM 1545 CG GLN A 99 1.892 -4.236 14.346 1.00 0.00 C ATOM 1546 CD GLN A 99 3.214 -4.611 15.013 1.00 0.00 C ATOM 1547 OE1 GLN A 99 3.243 -5.309 16.031 1.00 0.00 O ATOM 1548 NE2 GLN A 99 4.322 -4.179 14.423 1.00 0.00 N ATOM 0 H GLN A 99 -0.870 -5.552 10.806 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.651 -5.025 13.353 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.448 -6.241 13.694 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.253 -5.261 12.485 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.979 -3.243 13.906 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.109 -4.183 15.102 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.261 -3.604 13.583 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.234 -4.422 14.810 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.920 -2.759 12.119 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.947 -1.351 11.697 1.00 0.00 C ATOM 1559 C GLY A 100 -1.811 -1.120 10.464 1.00 0.00 C ATOM 1560 O GLY A 100 -2.370 -0.036 10.305 1.00 0.00 O ATOM 0 H GLY A 100 -1.778 -3.070 12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.321 -0.738 12.517 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.070 -1.019 11.489 1.00 0.00 H new ATOM 1564 N LEU A 101 -1.923 -2.147 9.597 1.00 0.00 N ATOM 1565 CA LEU A 101 -2.693 -2.050 8.336 1.00 0.00 C ATOM 1566 C LEU A 101 -4.213 -1.998 8.608 1.00 0.00 C ATOM 1567 O LEU A 101 -4.702 -2.654 9.536 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.404 -3.244 7.379 1.00 0.00 C ATOM 1569 CG LEU A 101 -0.913 -3.617 7.087 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -0.834 -4.609 5.908 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.026 -2.381 6.833 1.00 0.00 C ATOM 0 H LEU A 101 -1.489 -3.058 9.747 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.371 -1.125 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.893 -4.127 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.886 -3.030 6.425 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.518 -4.096 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.209 -4.861 5.714 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.386 -5.515 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.268 -4.152 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.997 -2.702 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.406 -1.831 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.041 -1.735 7.711 1.00 0.00 H new ATOM 1583 N VAL A 102 -4.939 -1.235 7.769 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.422 -1.185 7.781 1.00 0.00 C ATOM 1585 C VAL A 102 -7.035 -2.538 7.362 1.00 0.00 C ATOM 1586 O VAL A 102 -8.152 -2.873 7.774 1.00 0.00 O ATOM 1587 CB VAL A 102 -6.976 -0.030 6.858 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -6.461 1.346 7.340 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -6.640 -0.261 5.355 1.00 0.00 C ATOM 0 H VAL A 102 -4.518 -0.633 7.061 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.721 -0.973 8.808 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.063 -0.042 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.854 2.129 6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.794 1.521 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.372 1.359 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.042 0.560 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.559 -0.306 5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.084 -1.200 5.023 1.00 0.00 H new ATOM 1599 N CYS A 103 -6.282 -3.295 6.547 1.00 0.00 N ATOM 1600 CA CYS A 103 -6.666 -4.627 6.065 1.00 0.00 C ATOM 1601 C CYS A 103 -5.460 -5.310 5.407 1.00 0.00 C ATOM 1602 O CYS A 103 -4.399 -4.690 5.226 1.00 0.00 O ATOM 1603 CB CYS A 103 -7.827 -4.530 5.049 1.00 0.00 C ATOM 1604 SG CYS A 103 -7.419 -3.603 3.555 1.00 0.00 S ATOM 0 H CYS A 103 -5.373 -2.990 6.200 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.000 -5.218 6.918 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.134 -5.537 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.682 -4.060 5.534 1.00 0.00 H new ATOM 0 HG CYS A 103 -6.752 -4.365 2.740 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.640 -6.590 5.058 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.675 -7.355 4.258 1.00 0.00 C ATOM 1612 C ALA A 104 -4.757 -6.909 2.785 1.00 0.00 C ATOM 1613 O ALA A 104 -5.817 -6.457 2.318 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.945 -8.861 4.398 1.00 0.00 C ATOM 0 H ALA A 104 -6.465 -7.128 5.325 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.666 -7.162 4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.223 -9.417 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.851 -9.152 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.953 -9.084 4.049 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.633 -7.031 2.065 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.555 -6.664 0.648 1.00 0.00 C ATOM 1622 C LEU A 105 -4.206 -7.786 -0.174 1.00 0.00 C ATOM 1623 O LEU A 105 -3.639 -8.872 -0.301 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.077 -6.425 0.224 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.268 -5.382 1.071 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.095 -5.062 0.421 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.077 -4.094 1.354 1.00 0.00 C ATOM 0 H LEU A 105 -2.757 -7.386 2.448 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.088 -5.730 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.552 -7.379 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.068 -6.100 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.075 -5.847 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.629 -4.336 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.685 -5.975 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.065 -4.648 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.471 -3.406 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.350 -3.621 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.981 -4.347 1.908 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.436 -7.536 -0.655 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.261 -8.565 -1.331 1.00 0.00 C ATOM 1641 C LEU A 106 -6.592 -8.181 -2.783 1.00 0.00 C ATOM 1642 O LEU A 106 -6.198 -8.886 -3.716 1.00 0.00 O ATOM 1643 CB LEU A 106 -7.554 -8.828 -0.506 1.00 0.00 C ATOM 1644 CG LEU A 106 -7.332 -9.373 0.944 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -8.670 -9.572 1.686 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -6.488 -10.673 0.933 1.00 0.00 C ATOM 0 H LEU A 106 -5.888 -6.624 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.680 -9.486 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.119 -7.898 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.173 -9.540 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.767 -8.620 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.477 -9.951 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.194 -8.619 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.286 -10.287 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.351 -11.027 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.004 -11.437 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.515 -10.471 0.486 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.293 -7.054 -2.976 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.868 -6.682 -4.293 1.00 0.00 C ATOM 1660 C LEU A 107 -6.928 -5.735 -5.063 1.00 0.00 C ATOM 1661 O LEU A 107 -6.312 -4.870 -4.457 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.288 -6.036 -4.124 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.491 -7.013 -4.023 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.592 -7.884 -5.288 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -10.428 -7.864 -2.739 1.00 0.00 C ATOM 0 H LEU A 107 -7.480 -6.376 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.977 -7.596 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -9.276 -5.417 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.461 -5.369 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 107 -11.402 -6.419 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.441 -8.561 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.730 -7.245 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.676 -8.464 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.286 -8.535 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.509 -8.450 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.444 -7.209 -1.868 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.793 -5.901 -6.419 1.00 0.00 N ATOM 1678 CA PRO A 108 -6.039 -4.953 -7.278 1.00 0.00 C ATOM 1679 C PRO A 108 -6.807 -3.619 -7.507 1.00 0.00 C ATOM 1680 O PRO A 108 -7.787 -3.313 -6.811 1.00 0.00 O ATOM 1681 CB PRO A 108 -5.837 -5.759 -8.609 1.00 0.00 C ATOM 1682 CG PRO A 108 -6.280 -7.163 -8.302 1.00 0.00 C ATOM 1683 CD PRO A 108 -7.321 -7.028 -7.225 1.00 0.00 C ATOM 0 HA PRO A 108 -5.098 -4.635 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -6.426 -5.331 -9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.794 -5.737 -8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.692 -7.647 -9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.443 -7.774 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -8.306 -6.808 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.418 -7.940 -6.636 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.369 -2.860 -8.532 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.896 -1.519 -8.864 1.00 0.00 C ATOM 1693 C VAL A 109 -6.803 -1.351 -10.400 1.00 0.00 C ATOM 1694 O VAL A 109 -5.679 -1.141 -10.915 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.150 -0.332 -8.112 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -6.633 1.051 -8.630 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -6.335 -0.419 -6.568 1.00 0.00 C ATOM 1698 OXT VAL A 109 -7.838 -1.483 -11.094 1.00 0.00 O ATOM 0 H VAL A 109 -5.628 -3.166 -9.163 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.928 -1.458 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.087 -0.436 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.106 1.843 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.427 1.132 -9.697 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.705 1.150 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.811 0.409 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.396 -0.364 -6.325 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.928 -1.363 -6.205 1.00 0.00 H new TER 1708 VAL A 109