USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 85 THR OG1 : rot 180:sc= -0.0783 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0447 USER MOD Set 2.1: A 61 GLN : amide:sc= 0.346 K(o=0.72,f=-0.47) USER MOD Set 2.2: A 83 SER OG : rot 126:sc= 0.377 USER MOD Set 3.1: A 37 CYS SG : rot 17:sc= -2.78! USER MOD Set 3.2: A 51 HIS :FLIP no HE2:sc= -4.32! C(o=-12!,f=-7.1!) USER MOD Set 4.1: A 17 SER OG : rot 170:sc= 1.35 USER MOD Set 4.2: A 24 MET CE :methyl -158:sc= -3.74! (180deg=-4.74!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -59:sc= 0.477 USER MOD Single : A 6 SER OG : rot 9:sc= 0.638! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 33:sc= 0.0683 USER MOD Single : A 13 MET CE :methyl -172:sc= -4.3 (180deg=-4.83!) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -0.107 (180deg=-0.629) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.0243 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 173:sc=-0.000328 (180deg=-0.0371) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -160:sc= 0 (180deg=-0.495) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.0187 X(o=0.019,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.01 K(o=-1,f=-4.1!) USER MOD Single : A 49 CYS SG : rot -165:sc= 0.772 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.745 F(o=-4.7!,f=-0.74) USER MOD Single : A 64 MET CE :methyl 161:sc= -6.47! (180deg=-7.2!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0489 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 66:sc= 0.0691 USER MOD Single : A 75 ASN :FLIP amide:sc= -3.05! F(o=-3.6,f=-3.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0185) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.062 26.430 -31.728 1.00 0.00 N ATOM 2 CA GLY A 1 -1.238 26.475 -30.533 1.00 0.00 C ATOM 3 C GLY A 1 -0.475 25.185 -30.307 1.00 0.00 C ATOM 4 O GLY A 1 0.644 25.024 -30.793 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.563 27.335 -31.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.459 26.264 -32.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.755 25.659 -31.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.532 27.302 -30.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.869 26.677 -29.667 1.00 0.00 H new ATOM 8 N SER A 2 -1.081 24.263 -29.565 1.00 0.00 N ATOM 9 CA SER A 2 -0.449 22.982 -29.271 1.00 0.00 C ATOM 10 C SER A 2 -1.498 21.905 -29.012 1.00 0.00 C ATOM 11 O SER A 2 -2.608 22.198 -28.567 1.00 0.00 O ATOM 12 CB SER A 2 0.475 23.113 -28.058 1.00 0.00 C ATOM 13 OG SER A 2 1.371 22.018 -27.980 1.00 0.00 O ATOM 0 H SER A 2 -2.008 24.379 -29.157 1.00 0.00 H new ATOM 0 HA SER A 2 0.141 22.688 -30.139 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.038 24.044 -28.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.121 23.165 -27.147 1.00 0.00 H new ATOM 0 HG SER A 2 1.952 22.126 -27.198 1.00 0.00 H new ATOM 19 N SER A 3 -1.138 20.657 -29.294 1.00 0.00 N ATOM 20 CA SER A 3 -2.048 19.536 -29.096 1.00 0.00 C ATOM 21 C SER A 3 -1.837 18.900 -27.725 1.00 0.00 C ATOM 22 O SER A 3 -0.734 18.471 -27.391 1.00 0.00 O ATOM 23 CB SER A 3 -1.847 18.488 -30.193 1.00 0.00 C ATOM 24 OG SER A 3 -2.543 18.847 -31.374 1.00 0.00 O ATOM 0 H SER A 3 -0.222 20.397 -29.660 1.00 0.00 H new ATOM 0 HA SER A 3 -3.069 19.915 -29.148 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.784 18.384 -30.411 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.197 17.517 -29.842 1.00 0.00 H new ATOM 0 HG SER A 3 -2.397 18.163 -32.060 1.00 0.00 H new ATOM 30 N GLY A 4 -2.905 18.844 -26.935 1.00 0.00 N ATOM 31 CA GLY A 4 -2.816 18.260 -25.609 1.00 0.00 C ATOM 32 C GLY A 4 -3.636 16.991 -25.479 1.00 0.00 C ATOM 33 O GLY A 4 -3.501 16.071 -26.287 1.00 0.00 O ATOM 0 H GLY A 4 -3.829 19.192 -27.189 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.773 18.040 -25.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.157 18.987 -24.871 1.00 0.00 H new ATOM 37 N SER A 5 -4.486 16.939 -24.459 1.00 0.00 N ATOM 38 CA SER A 5 -5.326 15.771 -24.222 1.00 0.00 C ATOM 39 C SER A 5 -4.484 14.501 -24.152 1.00 0.00 C ATOM 40 O SER A 5 -4.857 13.464 -24.699 1.00 0.00 O ATOM 41 CB SER A 5 -6.376 15.640 -25.327 1.00 0.00 C ATOM 42 OG SER A 5 -7.309 14.617 -25.025 1.00 0.00 O ATOM 0 H SER A 5 -4.611 17.692 -23.783 1.00 0.00 H new ATOM 0 HA SER A 5 -5.830 15.905 -23.265 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.899 16.588 -25.451 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.885 15.421 -26.275 1.00 0.00 H new ATOM 0 HG SER A 5 -6.836 13.766 -24.914 1.00 0.00 H new ATOM 48 N SER A 6 -3.344 14.591 -23.474 1.00 0.00 N ATOM 49 CA SER A 6 -2.445 13.452 -23.334 1.00 0.00 C ATOM 50 C SER A 6 -2.305 13.046 -21.870 1.00 0.00 C ATOM 51 O SER A 6 -1.875 13.839 -21.033 1.00 0.00 O ATOM 52 CB SER A 6 -1.070 13.785 -23.916 1.00 0.00 C ATOM 53 OG SER A 6 -0.338 14.628 -23.044 1.00 0.00 O ATOM 0 H SER A 6 -3.021 15.442 -23.013 1.00 0.00 H new ATOM 0 HA SER A 6 -2.872 12.615 -23.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.513 12.865 -24.090 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.190 14.273 -24.883 1.00 0.00 H new ATOM 0 HG SER A 6 -0.811 14.704 -22.189 1.00 0.00 H new ATOM 59 N GLY A 7 -2.673 11.805 -21.568 1.00 0.00 N ATOM 60 CA GLY A 7 -2.582 11.315 -20.205 1.00 0.00 C ATOM 61 C GLY A 7 -2.902 9.837 -20.098 1.00 0.00 C ATOM 62 O GLY A 7 -4.058 9.434 -20.226 1.00 0.00 O ATOM 0 H GLY A 7 -3.033 11.130 -22.243 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.577 11.495 -19.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.268 11.879 -19.573 1.00 0.00 H new ATOM 66 N ARG A 8 -1.875 9.027 -19.863 1.00 0.00 N ATOM 67 CA ARG A 8 -2.051 7.584 -19.742 1.00 0.00 C ATOM 68 C ARG A 8 -1.495 7.078 -18.414 1.00 0.00 C ATOM 69 O ARG A 8 -0.656 7.729 -17.792 1.00 0.00 O ATOM 70 CB ARG A 8 -1.362 6.865 -20.903 1.00 0.00 C ATOM 71 CG ARG A 8 -1.992 7.152 -22.257 1.00 0.00 C ATOM 72 CD ARG A 8 -3.292 6.385 -22.440 1.00 0.00 C ATOM 73 NE ARG A 8 -3.836 6.544 -23.786 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.358 5.910 -24.851 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.332 5.079 -24.727 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.906 6.106 -26.043 1.00 0.00 N ATOM 0 H ARG A 8 -0.912 9.345 -19.753 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.119 7.370 -19.774 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.313 7.159 -20.930 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.387 5.791 -20.720 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.183 8.221 -22.352 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.294 6.881 -23.049 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.120 5.327 -22.241 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.023 6.732 -21.710 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.626 7.176 -23.915 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.908 4.925 -23.812 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.967 4.593 -25.546 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.695 6.744 -26.143 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.538 5.619 -26.860 1.00 0.00 H new ATOM 90 N PHE A 9 -1.970 5.913 -17.986 1.00 0.00 N ATOM 91 CA PHE A 9 -1.522 5.320 -16.731 1.00 0.00 C ATOM 92 C PHE A 9 -0.037 4.976 -16.792 1.00 0.00 C ATOM 93 O PHE A 9 0.411 4.262 -17.691 1.00 0.00 O ATOM 94 CB PHE A 9 -2.336 4.063 -16.417 1.00 0.00 C ATOM 95 CG PHE A 9 -1.756 2.810 -17.008 1.00 0.00 C ATOM 96 CD1 PHE A 9 -0.818 2.068 -16.308 1.00 0.00 C ATOM 97 CD2 PHE A 9 -2.149 2.374 -18.263 1.00 0.00 C ATOM 98 CE1 PHE A 9 -0.282 0.915 -16.851 1.00 0.00 C ATOM 99 CE2 PHE A 9 -1.617 1.222 -18.810 1.00 0.00 C ATOM 100 CZ PHE A 9 -0.683 0.491 -18.102 1.00 0.00 C ATOM 0 H PHE A 9 -2.665 5.361 -18.489 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.675 6.051 -15.937 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.406 3.946 -15.336 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.352 4.195 -16.790 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.502 2.394 -15.328 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.880 2.941 -18.820 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.450 0.346 -16.297 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.931 0.894 -19.790 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.267 -0.411 -18.526 1.00 0.00 H new ATOM 110 N THR A 10 0.724 5.489 -15.830 1.00 0.00 N ATOM 111 CA THR A 10 2.159 5.238 -15.775 1.00 0.00 C ATOM 112 C THR A 10 2.769 5.815 -14.502 1.00 0.00 C ATOM 113 O THR A 10 2.504 6.961 -14.140 1.00 0.00 O ATOM 114 CB THR A 10 2.882 5.839 -16.995 1.00 0.00 C ATOM 115 OG1 THR A 10 4.284 5.558 -16.921 1.00 0.00 O ATOM 116 CG2 THR A 10 2.664 7.342 -17.067 1.00 0.00 C ATOM 0 H THR A 10 0.370 6.081 -15.078 1.00 0.00 H new ATOM 0 HA THR A 10 2.291 4.156 -15.781 1.00 0.00 H new ATOM 0 HB THR A 10 2.468 5.385 -17.895 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.736 5.942 -17.701 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.184 7.744 -17.937 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.598 7.551 -17.153 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.054 7.810 -16.163 1.00 0.00 H new ATOM 124 N TRP A 11 3.587 5.014 -13.829 1.00 0.00 N ATOM 125 CA TRP A 11 4.235 5.446 -12.596 1.00 0.00 C ATOM 126 C TRP A 11 5.401 6.383 -12.893 1.00 0.00 C ATOM 127 O TRP A 11 6.280 6.060 -13.693 1.00 0.00 O ATOM 128 CB TRP A 11 4.728 4.235 -11.802 1.00 0.00 C ATOM 129 CG TRP A 11 3.668 3.620 -10.939 1.00 0.00 C ATOM 130 CD1 TRP A 11 2.844 4.270 -10.065 1.00 0.00 C ATOM 131 CD2 TRP A 11 3.321 2.233 -10.865 1.00 0.00 C ATOM 132 NE1 TRP A 11 2.005 3.370 -9.452 1.00 0.00 N ATOM 133 CE2 TRP A 11 2.278 2.114 -9.926 1.00 0.00 C ATOM 134 CE3 TRP A 11 3.789 1.080 -11.501 1.00 0.00 C ATOM 135 CZ2 TRP A 11 1.697 0.889 -9.610 1.00 0.00 C ATOM 136 CZ3 TRP A 11 3.212 -0.135 -11.186 1.00 0.00 C ATOM 137 CH2 TRP A 11 2.175 -0.224 -10.248 1.00 0.00 C ATOM 0 H TRP A 11 3.817 4.063 -14.116 1.00 0.00 H new ATOM 0 HA TRP A 11 3.500 5.987 -12.000 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.103 3.483 -12.496 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.567 4.537 -11.175 1.00 0.00 H new ATOM 0 HD1 TRP A 11 2.851 5.334 -9.882 1.00 0.00 H new ATOM 0 HE1 TRP A 11 1.295 3.600 -8.757 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.588 1.138 -12.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.898 0.819 -8.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.567 -1.032 -11.671 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.745 -1.189 -10.024 1.00 0.00 H new ATOM 148 N SER A 12 5.403 7.543 -12.245 1.00 0.00 N ATOM 149 CA SER A 12 6.460 8.528 -12.444 1.00 0.00 C ATOM 150 C SER A 12 6.754 9.278 -11.149 1.00 0.00 C ATOM 151 O SER A 12 5.842 9.761 -10.478 1.00 0.00 O ATOM 152 CB SER A 12 6.064 9.517 -13.542 1.00 0.00 C ATOM 153 OG SER A 12 4.809 10.113 -13.263 1.00 0.00 O ATOM 0 H SER A 12 4.685 7.824 -11.578 1.00 0.00 H new ATOM 0 HA SER A 12 7.363 8.000 -12.750 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.826 10.291 -13.631 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.020 9.002 -14.501 1.00 0.00 H new ATOM 0 HG SER A 12 4.700 10.207 -12.294 1.00 0.00 H new ATOM 159 N MET A 13 8.034 9.372 -10.804 1.00 0.00 N ATOM 160 CA MET A 13 8.449 10.065 -9.590 1.00 0.00 C ATOM 161 C MET A 13 9.964 10.242 -9.556 1.00 0.00 C ATOM 162 O MET A 13 10.674 9.775 -10.446 1.00 0.00 O ATOM 163 CB MET A 13 7.986 9.293 -8.353 1.00 0.00 C ATOM 164 CG MET A 13 8.347 7.817 -8.388 1.00 0.00 C ATOM 165 SD MET A 13 9.979 7.484 -7.697 1.00 0.00 S ATOM 166 CE MET A 13 9.541 6.575 -6.217 1.00 0.00 C ATOM 0 H MET A 13 8.801 8.977 -11.348 1.00 0.00 H new ATOM 0 HA MET A 13 7.986 11.052 -9.588 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.428 9.746 -7.466 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.905 9.392 -8.256 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.599 7.251 -7.833 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.314 7.463 -9.418 1.00 0.00 H new ATOM 0 HE1 MET A 13 10.432 6.421 -5.608 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.805 7.141 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.120 5.609 -6.495 1.00 0.00 H new ATOM 176 N LYS A 14 10.453 10.919 -8.522 1.00 0.00 N ATOM 177 CA LYS A 14 11.883 11.157 -8.371 1.00 0.00 C ATOM 178 C LYS A 14 12.353 10.777 -6.970 1.00 0.00 C ATOM 179 O LYS A 14 13.425 11.192 -6.529 1.00 0.00 O ATOM 180 CB LYS A 14 12.208 12.627 -8.648 1.00 0.00 C ATOM 181 CG LYS A 14 11.302 13.599 -7.913 1.00 0.00 C ATOM 182 CD LYS A 14 11.782 13.844 -6.492 1.00 0.00 C ATOM 183 CE LYS A 14 11.280 15.176 -5.956 1.00 0.00 C ATOM 184 NZ LYS A 14 11.841 16.327 -6.718 1.00 0.00 N ATOM 0 H LYS A 14 9.879 11.312 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 14 12.408 10.532 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.242 12.822 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.132 12.812 -9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.266 14.545 -8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.286 13.205 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.436 13.037 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.872 13.828 -6.467 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.192 15.202 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.551 15.270 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.843 17.174 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.815 16.108 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.257 16.503 -7.561 1.00 0.00 H new ATOM 198 N THR A 15 11.544 9.983 -6.275 1.00 0.00 N ATOM 199 CA THR A 15 11.877 9.546 -4.925 1.00 0.00 C ATOM 200 C THR A 15 12.793 8.328 -4.951 1.00 0.00 C ATOM 201 O THR A 15 12.453 7.294 -5.526 1.00 0.00 O ATOM 202 CB THR A 15 10.611 9.205 -4.117 1.00 0.00 C ATOM 203 OG1 THR A 15 9.750 10.347 -4.049 1.00 0.00 O ATOM 204 CG2 THR A 15 10.973 8.752 -2.710 1.00 0.00 C ATOM 0 H THR A 15 10.654 9.630 -6.625 1.00 0.00 H new ATOM 0 HA THR A 15 12.394 10.376 -4.443 1.00 0.00 H new ATOM 0 HB THR A 15 10.093 8.390 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.947 10.121 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.063 8.517 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.604 7.865 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.512 9.550 -2.198 1.00 0.00 H new ATOM 212 N THR A 16 13.959 8.457 -4.325 1.00 0.00 N ATOM 213 CA THR A 16 14.925 7.366 -4.277 1.00 0.00 C ATOM 214 C THR A 16 15.402 7.116 -2.851 1.00 0.00 C ATOM 215 O THR A 16 15.822 8.041 -2.156 1.00 0.00 O ATOM 216 CB THR A 16 16.145 7.657 -5.171 1.00 0.00 C ATOM 217 OG1 THR A 16 16.620 8.987 -4.933 1.00 0.00 O ATOM 218 CG2 THR A 16 15.790 7.495 -6.641 1.00 0.00 C ATOM 0 H THR A 16 14.257 9.306 -3.844 1.00 0.00 H new ATOM 0 HA THR A 16 14.416 6.476 -4.648 1.00 0.00 H new ATOM 0 HB THR A 16 16.929 6.942 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.609 9.171 -3.971 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.667 7.706 -7.253 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.457 6.474 -6.824 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.991 8.190 -6.901 1.00 0.00 H new ATOM 226 N SER A 17 15.334 5.861 -2.421 1.00 0.00 N ATOM 227 CA SER A 17 15.757 5.490 -1.075 1.00 0.00 C ATOM 228 C SER A 17 16.910 4.493 -1.123 1.00 0.00 C ATOM 229 O SER A 17 16.796 3.423 -1.722 1.00 0.00 O ATOM 230 CB SER A 17 14.583 4.893 -0.296 1.00 0.00 C ATOM 231 OG SER A 17 14.367 3.539 -0.657 1.00 0.00 O ATOM 0 H SER A 17 14.990 5.083 -2.984 1.00 0.00 H new ATOM 0 HA SER A 17 16.101 6.391 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.781 4.960 0.774 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.681 5.473 -0.491 1.00 0.00 H new ATOM 0 HG SER A 17 13.719 3.136 -0.042 1.00 0.00 H new ATOM 237 N SER A 18 18.022 4.852 -0.488 1.00 0.00 N ATOM 238 CA SER A 18 19.198 3.991 -0.461 1.00 0.00 C ATOM 239 C SER A 18 19.027 2.868 0.557 1.00 0.00 C ATOM 240 O SER A 18 19.686 1.832 0.472 1.00 0.00 O ATOM 241 CB SER A 18 20.447 4.810 -0.129 1.00 0.00 C ATOM 242 OG SER A 18 21.525 3.968 0.241 1.00 0.00 O ATOM 0 H SER A 18 18.132 5.733 0.014 1.00 0.00 H new ATOM 0 HA SER A 18 19.315 3.546 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.731 5.412 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.227 5.502 0.684 1.00 0.00 H new ATOM 0 HG SER A 18 22.312 4.515 0.447 1.00 0.00 H new ATOM 248 N MET A 19 18.136 3.082 1.520 1.00 0.00 N ATOM 249 CA MET A 19 17.876 2.087 2.554 1.00 0.00 C ATOM 250 C MET A 19 17.102 0.902 1.986 1.00 0.00 C ATOM 251 O MET A 19 16.330 1.049 1.039 1.00 0.00 O ATOM 252 CB MET A 19 17.095 2.715 3.710 1.00 0.00 C ATOM 253 CG MET A 19 16.511 1.694 4.674 1.00 0.00 C ATOM 254 SD MET A 19 16.037 2.423 6.254 1.00 0.00 S ATOM 255 CE MET A 19 14.451 3.142 5.833 1.00 0.00 C ATOM 0 H MET A 19 17.583 3.935 1.606 1.00 0.00 H new ATOM 0 HA MET A 19 18.835 1.726 2.926 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.754 3.387 4.260 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.287 3.323 3.304 1.00 0.00 H new ATOM 0 HG2 MET A 19 15.639 1.227 4.218 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.242 0.904 4.847 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.973 3.522 6.736 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.598 3.960 5.128 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.816 2.382 5.379 1.00 0.00 H new ATOM 265 N ASP A 20 17.314 -0.272 2.571 1.00 0.00 N ATOM 266 CA ASP A 20 16.636 -1.483 2.123 1.00 0.00 C ATOM 267 C ASP A 20 15.129 -1.262 2.039 1.00 0.00 C ATOM 268 O ASP A 20 14.550 -0.469 2.783 1.00 0.00 O ATOM 269 CB ASP A 20 16.941 -2.644 3.071 1.00 0.00 C ATOM 270 CG ASP A 20 18.418 -2.986 3.110 1.00 0.00 C ATOM 271 OD1 ASP A 20 19.242 -2.087 2.843 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.749 -4.153 3.407 1.00 0.00 O ATOM 0 H ASP A 20 17.950 -0.411 3.356 1.00 0.00 H new ATOM 0 HA ASP A 20 17.005 -1.730 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.604 -2.388 4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.376 -3.522 2.759 1.00 0.00 H new ATOM 277 N PRO A 21 14.476 -1.978 1.111 1.00 0.00 N ATOM 278 CA PRO A 21 13.028 -1.876 0.908 1.00 0.00 C ATOM 279 C PRO A 21 12.236 -2.473 2.066 1.00 0.00 C ATOM 280 O PRO A 21 11.066 -2.147 2.264 1.00 0.00 O ATOM 281 CB PRO A 21 12.793 -2.682 -0.372 1.00 0.00 C ATOM 282 CG PRO A 21 13.926 -3.648 -0.426 1.00 0.00 C ATOM 283 CD PRO A 21 15.102 -2.941 0.190 1.00 0.00 C ATOM 0 HA PRO A 21 12.697 -0.839 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.834 -3.199 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.782 -2.036 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.688 -4.560 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.141 -3.941 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.757 -3.635 0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.710 -2.440 -0.564 1.00 0.00 H new ATOM 291 N SER A 22 12.882 -3.349 2.829 1.00 0.00 N ATOM 292 CA SER A 22 12.237 -3.994 3.967 1.00 0.00 C ATOM 293 C SER A 22 11.988 -2.993 5.090 1.00 0.00 C ATOM 294 O SER A 22 11.077 -3.165 5.900 1.00 0.00 O ATOM 295 CB SER A 22 13.098 -5.150 4.480 1.00 0.00 C ATOM 296 OG SER A 22 12.346 -6.015 5.314 1.00 0.00 O ATOM 0 H SER A 22 13.852 -3.628 2.680 1.00 0.00 H new ATOM 0 HA SER A 22 11.276 -4.386 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.499 -5.711 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.950 -4.755 5.034 1.00 0.00 H new ATOM 0 HG SER A 22 12.918 -6.746 5.628 1.00 0.00 H new ATOM 302 N ASP A 23 12.805 -1.946 5.132 1.00 0.00 N ATOM 303 CA ASP A 23 12.674 -0.914 6.155 1.00 0.00 C ATOM 304 C ASP A 23 11.675 0.155 5.724 1.00 0.00 C ATOM 305 O ASP A 23 11.128 0.879 6.555 1.00 0.00 O ATOM 306 CB ASP A 23 14.033 -0.275 6.442 1.00 0.00 C ATOM 307 CG ASP A 23 14.981 -1.223 7.149 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.456 -2.180 6.503 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.249 -1.007 8.350 1.00 0.00 O ATOM 0 H ASP A 23 13.565 -1.789 4.470 1.00 0.00 H new ATOM 0 HA ASP A 23 12.304 -1.385 7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.483 0.052 5.504 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.890 0.615 7.054 1.00 0.00 H new ATOM 314 N MET A 24 11.444 0.249 4.418 1.00 0.00 N ATOM 315 CA MET A 24 10.511 1.231 3.877 1.00 0.00 C ATOM 316 C MET A 24 9.082 0.922 4.314 1.00 0.00 C ATOM 317 O MET A 24 8.433 1.739 4.966 1.00 0.00 O ATOM 318 CB MET A 24 10.595 1.257 2.350 1.00 0.00 C ATOM 319 CG MET A 24 11.814 1.994 1.821 1.00 0.00 C ATOM 320 SD MET A 24 11.977 1.871 0.029 1.00 0.00 S ATOM 321 CE MET A 24 11.078 3.330 -0.493 1.00 0.00 C ATOM 0 H MET A 24 11.889 -0.342 3.716 1.00 0.00 H new ATOM 0 HA MET A 24 10.787 2.211 4.266 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.610 0.233 1.978 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.696 1.727 1.953 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.750 3.044 2.105 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.710 1.591 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.750 3.205 -1.525 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.209 3.471 0.150 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.727 4.202 -0.422 1.00 0.00 H new ATOM 331 N MET A 25 8.600 -0.261 3.951 1.00 0.00 N ATOM 332 CA MET A 25 7.248 -0.677 4.307 1.00 0.00 C ATOM 333 C MET A 25 6.909 -0.259 5.734 1.00 0.00 C ATOM 334 O MET A 25 5.766 0.087 6.034 1.00 0.00 O ATOM 335 CB MET A 25 7.102 -2.193 4.159 1.00 0.00 C ATOM 336 CG MET A 25 6.811 -2.640 2.736 1.00 0.00 C ATOM 337 SD MET A 25 5.154 -2.185 2.191 1.00 0.00 S ATOM 338 CE MET A 25 4.170 -3.431 3.020 1.00 0.00 C ATOM 0 H MET A 25 9.125 -0.949 3.411 1.00 0.00 H new ATOM 0 HA MET A 25 6.552 -0.184 3.628 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.019 -2.673 4.501 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.299 -2.538 4.811 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.545 -2.197 2.063 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.928 -3.722 2.668 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.202 -3.518 2.526 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.686 -4.390 2.978 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.022 -3.144 4.061 1.00 0.00 H new ATOM 348 N ARG A 26 7.908 -0.293 6.609 1.00 0.00 N ATOM 349 CA ARG A 26 7.715 0.082 8.005 1.00 0.00 C ATOM 350 C ARG A 26 7.458 1.580 8.135 1.00 0.00 C ATOM 351 O ARG A 26 6.385 2.000 8.567 1.00 0.00 O ATOM 352 CB ARG A 26 8.938 -0.311 8.835 1.00 0.00 C ATOM 353 CG ARG A 26 8.637 -0.498 10.313 1.00 0.00 C ATOM 354 CD ARG A 26 9.756 -1.248 11.019 1.00 0.00 C ATOM 355 NE ARG A 26 10.783 -0.345 11.530 1.00 0.00 N ATOM 356 CZ ARG A 26 11.683 -0.696 12.442 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.682 -1.924 12.941 1.00 0.00 N ATOM 358 NH2 ARG A 26 12.587 0.183 12.857 1.00 0.00 N ATOM 0 H ARG A 26 8.860 -0.576 6.376 1.00 0.00 H new ATOM 0 HA ARG A 26 6.843 -0.453 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.354 -1.237 8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.704 0.456 8.723 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.497 0.475 10.783 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.701 -1.045 10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.340 -1.827 11.843 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.209 -1.958 10.327 1.00 0.00 H new ATOM 0 HE ARG A 26 10.811 0.608 11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.989 -2.602 12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.374 -2.191 13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.591 1.129 12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.278 -0.088 13.557 1.00 0.00 H new ATOM 372 N GLU A 27 8.451 2.381 7.760 1.00 0.00 N ATOM 373 CA GLU A 27 8.332 3.832 7.836 1.00 0.00 C ATOM 374 C GLU A 27 7.068 4.312 7.129 1.00 0.00 C ATOM 375 O GLU A 27 6.325 5.141 7.657 1.00 0.00 O ATOM 376 CB GLU A 27 9.561 4.500 7.217 1.00 0.00 C ATOM 377 CG GLU A 27 9.391 5.992 6.985 1.00 0.00 C ATOM 378 CD GLU A 27 9.562 6.803 8.254 1.00 0.00 C ATOM 379 OE1 GLU A 27 9.803 6.195 9.318 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.455 8.045 8.184 1.00 0.00 O ATOM 0 H GLU A 27 9.346 2.049 7.401 1.00 0.00 H new ATOM 0 HA GLU A 27 8.267 4.111 8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.419 4.338 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.787 4.017 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.118 6.326 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.402 6.181 6.568 1.00 0.00 H new ATOM 387 N ILE A 28 6.830 3.787 5.932 1.00 0.00 N ATOM 388 CA ILE A 28 5.657 4.161 5.153 1.00 0.00 C ATOM 389 C ILE A 28 4.407 4.202 6.026 1.00 0.00 C ATOM 390 O ILE A 28 3.760 5.241 6.152 1.00 0.00 O ATOM 391 CB ILE A 28 5.422 3.184 3.985 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.556 3.293 2.965 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.079 3.462 3.325 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.735 2.048 2.125 1.00 0.00 C ATOM 0 H ILE A 28 7.435 3.101 5.480 1.00 0.00 H new ATOM 0 HA ILE A 28 5.849 5.156 4.751 1.00 0.00 H new ATOM 0 HB ILE A 28 5.409 2.167 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.362 4.140 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.487 3.504 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.927 2.764 2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.281 3.339 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.066 4.483 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.556 2.197 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.960 1.201 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.818 1.847 1.572 1.00 0.00 H new ATOM 406 N ARG A 29 4.076 3.065 6.629 1.00 0.00 N ATOM 407 CA ARG A 29 2.904 2.971 7.491 1.00 0.00 C ATOM 408 C ARG A 29 2.956 4.022 8.596 1.00 0.00 C ATOM 409 O ARG A 29 1.922 4.512 9.051 1.00 0.00 O ATOM 410 CB ARG A 29 2.808 1.573 8.107 1.00 0.00 C ATOM 411 CG ARG A 29 2.319 0.512 7.135 1.00 0.00 C ATOM 412 CD ARG A 29 2.276 -0.862 7.786 1.00 0.00 C ATOM 413 NE ARG A 29 1.413 -0.882 8.964 1.00 0.00 N ATOM 414 CZ ARG A 29 0.997 -1.999 9.550 1.00 0.00 C ATOM 415 NH1 ARG A 29 1.363 -3.180 9.071 1.00 0.00 N ATOM 416 NH2 ARG A 29 0.213 -1.936 10.619 1.00 0.00 N ATOM 0 H ARG A 29 4.603 2.196 6.537 1.00 0.00 H new ATOM 0 HA ARG A 29 2.020 3.154 6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.789 1.283 8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.134 1.608 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.325 0.777 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.975 0.483 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.919 -1.595 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.285 -1.160 8.071 1.00 0.00 H new ATOM 0 HE ARG A 29 1.114 0.010 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.966 -3.233 8.250 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.042 -4.036 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.070 -1.029 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.106 -2.794 11.069 1.00 0.00 H new ATOM 430 N LYS A 30 4.167 4.365 9.023 1.00 0.00 N ATOM 431 CA LYS A 30 4.356 5.358 10.073 1.00 0.00 C ATOM 432 C LYS A 30 3.897 6.736 9.607 1.00 0.00 C ATOM 433 O LYS A 30 3.171 7.433 10.317 1.00 0.00 O ATOM 434 CB LYS A 30 5.826 5.414 10.493 1.00 0.00 C ATOM 435 CG LYS A 30 6.037 5.945 11.900 1.00 0.00 C ATOM 436 CD LYS A 30 7.465 6.424 12.107 1.00 0.00 C ATOM 437 CE LYS A 30 7.629 7.880 11.699 1.00 0.00 C ATOM 438 NZ LYS A 30 8.727 8.547 12.452 1.00 0.00 N ATOM 0 H LYS A 30 5.033 3.969 8.657 1.00 0.00 H new ATOM 0 HA LYS A 30 3.751 5.063 10.930 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.253 4.414 10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.372 6.044 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.346 6.767 12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.806 5.163 12.623 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.741 6.305 13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.146 5.803 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.835 7.937 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.694 8.413 11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.807 9.537 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.518 8.516 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.624 8.054 12.267 1.00 0.00 H new ATOM 452 N VAL A 31 4.323 7.123 8.409 1.00 0.00 N ATOM 453 CA VAL A 31 3.954 8.417 7.847 1.00 0.00 C ATOM 454 C VAL A 31 2.451 8.503 7.608 1.00 0.00 C ATOM 455 O VAL A 31 1.811 9.496 7.959 1.00 0.00 O ATOM 456 CB VAL A 31 4.690 8.684 6.521 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.112 9.907 5.826 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.182 8.854 6.765 1.00 0.00 C ATOM 0 H VAL A 31 4.924 6.559 7.809 1.00 0.00 H new ATOM 0 HA VAL A 31 4.247 9.174 8.575 1.00 0.00 H new ATOM 0 HB VAL A 31 4.548 7.824 5.867 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.645 10.080 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.055 9.741 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.221 10.778 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.687 9.042 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.347 9.696 7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.583 7.946 7.216 1.00 0.00 H new ATOM 468 N LEU A 32 1.892 7.458 7.009 1.00 0.00 N ATOM 469 CA LEU A 32 0.462 7.414 6.723 1.00 0.00 C ATOM 470 C LEU A 32 -0.354 7.537 8.005 1.00 0.00 C ATOM 471 O LEU A 32 -1.174 8.443 8.147 1.00 0.00 O ATOM 472 CB LEU A 32 0.106 6.113 6.001 1.00 0.00 C ATOM 473 CG LEU A 32 0.748 5.910 4.628 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.635 4.457 4.195 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.106 6.827 3.597 1.00 0.00 C ATOM 0 H LEU A 32 2.407 6.629 6.712 1.00 0.00 H new ATOM 0 HA LEU A 32 0.220 8.258 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.390 5.277 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.977 6.071 5.883 1.00 0.00 H new ATOM 0 HG LEU A 32 1.805 6.164 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.097 4.332 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.143 3.821 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.416 4.175 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.576 6.668 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.959 6.605 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.240 7.865 3.900 1.00 0.00 H new ATOM 487 N GLY A 33 -0.122 6.619 8.939 1.00 0.00 N ATOM 488 CA GLY A 33 -0.842 6.643 10.199 1.00 0.00 C ATOM 489 C GLY A 33 -0.754 7.989 10.891 1.00 0.00 C ATOM 490 O GLY A 33 -1.624 8.343 11.686 1.00 0.00 O ATOM 0 H GLY A 33 0.552 5.859 8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.889 6.397 10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.442 5.872 10.858 1.00 0.00 H new ATOM 494 N ALA A 34 0.300 8.740 10.589 1.00 0.00 N ATOM 495 CA ALA A 34 0.498 10.054 11.188 1.00 0.00 C ATOM 496 C ALA A 34 -0.371 11.105 10.506 1.00 0.00 C ATOM 497 O ALA A 34 -0.921 11.989 11.161 1.00 0.00 O ATOM 498 CB ALA A 34 1.965 10.451 11.115 1.00 0.00 C ATOM 0 H ALA A 34 1.030 8.461 9.933 1.00 0.00 H new ATOM 0 HA ALA A 34 0.200 9.998 12.235 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.099 11.434 11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.567 9.720 11.654 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.282 10.484 10.073 1.00 0.00 H new ATOM 504 N ASN A 35 -0.490 11.001 9.186 1.00 0.00 N ATOM 505 CA ASN A 35 -1.292 11.944 8.415 1.00 0.00 C ATOM 506 C ASN A 35 -2.757 11.520 8.391 1.00 0.00 C ATOM 507 O ASN A 35 -3.404 11.546 7.345 1.00 0.00 O ATOM 508 CB ASN A 35 -0.757 12.051 6.986 1.00 0.00 C ATOM 509 CG ASN A 35 0.507 12.886 6.903 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.478 14.099 7.111 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.625 12.238 6.596 1.00 0.00 N ATOM 0 H ASN A 35 -0.042 10.274 8.629 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.223 12.920 8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.555 11.052 6.601 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.522 12.491 6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.506 12.747 6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.602 11.232 6.432 1.00 0.00 H new ATOM 518 N ASN A 36 -3.274 11.128 9.551 1.00 0.00 N ATOM 519 CA ASN A 36 -4.663 10.698 9.663 1.00 0.00 C ATOM 520 C ASN A 36 -5.106 9.958 8.404 1.00 0.00 C ATOM 521 O ASN A 36 -6.176 10.229 7.858 1.00 0.00 O ATOM 522 CB ASN A 36 -5.573 11.902 9.908 1.00 0.00 C ATOM 523 CG ASN A 36 -5.579 12.337 11.361 1.00 0.00 C ATOM 524 OD1 ASN A 36 -5.019 13.376 11.712 1.00 0.00 O ATOM 525 ND2 ASN A 36 -6.213 11.541 12.214 1.00 0.00 N ATOM 0 H ASN A 36 -2.752 11.099 10.427 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.739 10.016 10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.246 12.734 9.284 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.589 11.654 9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.250 11.781 13.205 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.663 10.689 11.879 1.00 0.00 H new ATOM 532 N CYS A 37 -4.278 9.024 7.951 1.00 0.00 N ATOM 533 CA CYS A 37 -4.584 8.245 6.756 1.00 0.00 C ATOM 534 C CYS A 37 -4.909 6.800 7.118 1.00 0.00 C ATOM 535 O CYS A 37 -4.696 6.371 8.253 1.00 0.00 O ATOM 536 CB CYS A 37 -3.409 8.288 5.779 1.00 0.00 C ATOM 537 SG CYS A 37 -3.406 9.731 4.689 1.00 0.00 S ATOM 0 H CYS A 37 -3.390 8.787 8.393 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.459 8.686 6.279 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.478 8.273 6.346 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.425 7.385 5.168 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.204 10.639 5.168 1.00 0.00 H new ATOM 543 N ASP A 38 -5.425 6.054 6.148 1.00 0.00 N ATOM 544 CA ASP A 38 -5.779 4.656 6.364 1.00 0.00 C ATOM 545 C ASP A 38 -5.045 3.751 5.380 1.00 0.00 C ATOM 546 O ASP A 38 -5.167 3.910 4.165 1.00 0.00 O ATOM 547 CB ASP A 38 -7.290 4.463 6.224 1.00 0.00 C ATOM 548 CG ASP A 38 -8.036 4.788 7.503 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.934 3.999 8.466 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.721 5.831 7.542 1.00 0.00 O ATOM 0 H ASP A 38 -5.608 6.394 5.204 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.478 4.383 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.661 5.097 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.497 3.432 5.938 1.00 0.00 H new ATOM 555 N TYR A 39 -4.283 2.802 5.912 1.00 0.00 N ATOM 556 CA TYR A 39 -3.526 1.874 5.081 1.00 0.00 C ATOM 557 C TYR A 39 -4.057 0.451 5.231 1.00 0.00 C ATOM 558 O TYR A 39 -4.511 0.057 6.305 1.00 0.00 O ATOM 559 CB TYR A 39 -2.043 1.918 5.450 1.00 0.00 C ATOM 560 CG TYR A 39 -1.787 1.851 6.939 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.830 2.997 7.724 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.502 0.642 7.561 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.596 2.941 9.084 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.269 0.576 8.921 1.00 0.00 C ATOM 565 CZ TYR A 39 -1.317 1.728 9.678 1.00 0.00 C ATOM 566 OH TYR A 39 -1.084 1.666 11.033 1.00 0.00 O ATOM 0 H TYR A 39 -4.173 2.655 6.915 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.643 2.179 4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.532 1.087 4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.606 2.835 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.050 3.948 7.262 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.462 -0.262 6.971 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.631 3.842 9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.050 -0.372 9.389 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.904 0.738 11.292 1.00 0.00 H new ATOM 576 N GLU A 40 -3.994 -0.315 4.146 1.00 0.00 N ATOM 577 CA GLU A 40 -4.468 -1.694 4.157 1.00 0.00 C ATOM 578 C GLU A 40 -3.457 -2.622 3.490 1.00 0.00 C ATOM 579 O GLU A 40 -2.969 -2.340 2.396 1.00 0.00 O ATOM 580 CB GLU A 40 -5.819 -1.798 3.446 1.00 0.00 C ATOM 581 CG GLU A 40 -6.970 -1.199 4.236 1.00 0.00 C ATOM 582 CD GLU A 40 -8.325 -1.599 3.686 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.587 -2.816 3.583 1.00 0.00 O ATOM 584 OE2 GLU A 40 -9.124 -0.697 3.360 1.00 0.00 O ATOM 0 H GLU A 40 -3.620 -0.004 3.249 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.588 -2.002 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.752 -1.296 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.035 -2.847 3.245 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.896 -1.517 5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.885 -0.112 4.228 1.00 0.00 H new ATOM 591 N GLN A 41 -3.148 -3.728 4.158 1.00 0.00 N ATOM 592 CA GLN A 41 -2.194 -4.697 3.631 1.00 0.00 C ATOM 593 C GLN A 41 -2.796 -5.476 2.466 1.00 0.00 C ATOM 594 O GLN A 41 -3.532 -6.442 2.668 1.00 0.00 O ATOM 595 CB GLN A 41 -1.754 -5.663 4.733 1.00 0.00 C ATOM 596 CG GLN A 41 -0.625 -6.590 4.314 1.00 0.00 C ATOM 597 CD GLN A 41 0.727 -5.904 4.323 1.00 0.00 C ATOM 598 OE1 GLN A 41 0.891 -4.839 4.918 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.704 -6.512 3.660 1.00 0.00 N ATOM 0 H GLN A 41 -3.544 -3.976 5.065 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.323 -4.151 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.437 -5.088 5.603 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.610 -6.263 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.597 -7.449 4.985 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.827 -6.973 3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.523 -7.394 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.635 -6.097 3.630 1.00 0.00 H new ATOM 608 N ARG A 42 -2.479 -5.048 1.249 1.00 0.00 N ATOM 609 CA ARG A 42 -2.991 -5.705 0.051 1.00 0.00 C ATOM 610 C ARG A 42 -2.054 -6.821 -0.399 1.00 0.00 C ATOM 611 O ARG A 42 -2.399 -8.000 -0.326 1.00 0.00 O ATOM 612 CB ARG A 42 -3.169 -4.687 -1.077 1.00 0.00 C ATOM 613 CG ARG A 42 -3.992 -3.473 -0.679 1.00 0.00 C ATOM 614 CD ARG A 42 -5.483 -3.764 -0.747 1.00 0.00 C ATOM 615 NE ARG A 42 -5.982 -3.746 -2.119 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.270 -3.824 -2.433 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.184 -3.924 -1.478 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.646 -3.801 -3.706 1.00 0.00 N ATOM 0 H ARG A 42 -1.871 -4.250 1.066 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.960 -6.143 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.187 -4.355 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.647 -5.177 -1.925 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.726 -3.167 0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.753 -2.638 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.683 -4.738 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.024 -3.026 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.304 -3.669 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.899 -3.941 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.172 -3.984 -1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.946 -3.723 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.635 -3.861 -3.947 1.00 0.00 H new ATOM 632 N GLU A 43 -0.868 -6.441 -0.864 1.00 0.00 N ATOM 633 CA GLU A 43 0.117 -7.410 -1.327 1.00 0.00 C ATOM 634 C GLU A 43 1.235 -7.582 -0.302 1.00 0.00 C ATOM 635 O GLU A 43 1.186 -7.010 0.787 1.00 0.00 O ATOM 636 CB GLU A 43 0.705 -6.972 -2.670 1.00 0.00 C ATOM 637 CG GLU A 43 -0.344 -6.733 -3.744 1.00 0.00 C ATOM 638 CD GLU A 43 0.230 -6.802 -5.145 1.00 0.00 C ATOM 639 OE1 GLU A 43 1.472 -6.768 -5.280 1.00 0.00 O ATOM 640 OE2 GLU A 43 -0.561 -6.889 -6.108 1.00 0.00 O ATOM 0 H GLU A 43 -0.567 -5.469 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.387 -8.368 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.279 -6.057 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.402 -7.734 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.137 -7.474 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.800 -5.755 -3.590 1.00 0.00 H new ATOM 647 N ARG A 44 2.242 -8.373 -0.660 1.00 0.00 N ATOM 648 CA ARG A 44 3.371 -8.621 0.228 1.00 0.00 C ATOM 649 C ARG A 44 4.144 -7.334 0.498 1.00 0.00 C ATOM 650 O ARG A 44 4.652 -7.122 1.599 1.00 0.00 O ATOM 651 CB ARG A 44 4.304 -9.671 -0.380 1.00 0.00 C ATOM 652 CG ARG A 44 5.506 -9.995 0.492 1.00 0.00 C ATOM 653 CD ARG A 44 6.536 -10.820 -0.264 1.00 0.00 C ATOM 654 NE ARG A 44 6.281 -12.253 -0.148 1.00 0.00 N ATOM 655 CZ ARG A 44 7.120 -13.186 -0.583 1.00 0.00 C ATOM 656 NH1 ARG A 44 8.263 -12.838 -1.159 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.817 -14.470 -0.442 1.00 0.00 N ATOM 0 H ARG A 44 2.299 -8.853 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 44 2.981 -8.995 1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.739 -10.586 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.654 -9.316 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.964 -9.069 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.179 -10.541 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.528 -10.534 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.532 -10.597 0.119 1.00 0.00 H new ATOM 0 HE ARG A 44 5.411 -12.554 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.499 -11.852 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.906 -13.557 -1.492 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.939 -14.741 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.462 -15.186 -0.776 1.00 0.00 H new ATOM 671 N PHE A 45 4.229 -6.477 -0.515 1.00 0.00 N ATOM 672 CA PHE A 45 4.941 -5.211 -0.387 1.00 0.00 C ATOM 673 C PHE A 45 4.099 -4.057 -0.925 1.00 0.00 C ATOM 674 O PHE A 45 4.624 -3.119 -1.526 1.00 0.00 O ATOM 675 CB PHE A 45 6.275 -5.275 -1.133 1.00 0.00 C ATOM 676 CG PHE A 45 7.394 -5.848 -0.312 1.00 0.00 C ATOM 677 CD1 PHE A 45 8.076 -5.059 0.601 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.764 -7.176 -0.451 1.00 0.00 C ATOM 679 CE1 PHE A 45 9.107 -5.584 1.357 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.794 -7.706 0.303 1.00 0.00 C ATOM 681 CZ PHE A 45 9.465 -6.909 1.209 1.00 0.00 C ATOM 0 H PHE A 45 3.814 -6.637 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 45 5.133 -5.035 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.150 -5.877 -2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.550 -4.271 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.799 -4.022 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.241 -7.804 -1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.632 -4.958 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.074 -8.742 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.269 -7.322 1.801 1.00 0.00 H new ATOM 691 N LEU A 46 2.792 -4.134 -0.705 1.00 0.00 N ATOM 692 CA LEU A 46 1.876 -3.097 -1.167 1.00 0.00 C ATOM 693 C LEU A 46 0.888 -2.714 -0.070 1.00 0.00 C ATOM 694 O LEU A 46 0.534 -3.536 0.776 1.00 0.00 O ATOM 695 CB LEU A 46 1.118 -3.575 -2.408 1.00 0.00 C ATOM 696 CG LEU A 46 0.399 -2.492 -3.213 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.323 -2.881 -4.681 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.993 -2.245 -2.652 1.00 0.00 C ATOM 0 H LEU A 46 2.342 -4.904 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 46 2.464 -2.216 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.823 -4.082 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.383 -4.317 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 46 0.970 -1.567 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.192 -2.099 -5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.331 -3.006 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.225 -3.818 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.489 -1.471 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.574 -3.166 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.915 -1.920 -1.614 1.00 0.00 H new ATOM 710 N LEU A 47 0.444 -1.462 -0.091 1.00 0.00 N ATOM 711 CA LEU A 47 -0.506 -0.970 0.901 1.00 0.00 C ATOM 712 C LEU A 47 -1.494 0.006 0.271 1.00 0.00 C ATOM 713 O LEU A 47 -1.106 0.893 -0.490 1.00 0.00 O ATOM 714 CB LEU A 47 0.236 -0.291 2.053 1.00 0.00 C ATOM 715 CG LEU A 47 1.291 -1.139 2.764 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.223 -0.257 3.581 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.628 -2.182 3.651 1.00 0.00 C ATOM 0 H LEU A 47 0.727 -0.769 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.064 -1.822 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.719 0.607 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.498 0.033 2.791 1.00 0.00 H new ATOM 0 HG LEU A 47 1.883 -1.656 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.967 -0.878 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.725 0.451 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.646 0.288 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.394 -2.776 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.011 -1.684 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.003 -2.834 3.041 1.00 0.00 H new ATOM 729 N PHE A 48 -2.771 -0.161 0.595 1.00 0.00 N ATOM 730 CA PHE A 48 -3.816 0.706 0.062 1.00 0.00 C ATOM 731 C PHE A 48 -3.966 1.963 0.915 1.00 0.00 C ATOM 732 O PHE A 48 -4.484 1.910 2.031 1.00 0.00 O ATOM 733 CB PHE A 48 -5.148 -0.043 -0.001 1.00 0.00 C ATOM 734 CG PHE A 48 -6.091 0.497 -1.037 1.00 0.00 C ATOM 735 CD1 PHE A 48 -5.930 0.176 -2.375 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.140 1.327 -0.673 1.00 0.00 C ATOM 737 CE1 PHE A 48 -6.797 0.673 -3.330 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.010 1.827 -1.624 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.838 1.498 -2.954 1.00 0.00 C ATOM 0 H PHE A 48 -3.108 -0.889 1.225 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.527 1.004 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.954 -1.095 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.629 0.004 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.118 -0.470 -2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.279 1.586 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.660 0.416 -4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.823 2.474 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.517 1.886 -3.699 1.00 0.00 H new ATOM 749 N CYS A 49 -3.509 3.090 0.381 1.00 0.00 N ATOM 750 CA CYS A 49 -3.591 4.361 1.093 1.00 0.00 C ATOM 751 C CYS A 49 -4.947 5.023 0.869 1.00 0.00 C ATOM 752 O CYS A 49 -5.413 5.140 -0.264 1.00 0.00 O ATOM 753 CB CYS A 49 -2.471 5.298 0.637 1.00 0.00 C ATOM 754 SG CYS A 49 -0.836 4.527 0.593 1.00 0.00 S ATOM 0 H CYS A 49 -3.078 3.150 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.476 4.161 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.710 5.675 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.437 6.159 1.305 1.00 0.00 H new ATOM 0 HG CYS A 49 0.076 5.449 0.504 1.00 0.00 H new ATOM 760 N VAL A 50 -5.576 5.453 1.958 1.00 0.00 N ATOM 761 CA VAL A 50 -6.879 6.102 1.882 1.00 0.00 C ATOM 762 C VAL A 50 -6.930 7.339 2.771 1.00 0.00 C ATOM 763 O VAL A 50 -6.786 7.247 3.991 1.00 0.00 O ATOM 764 CB VAL A 50 -8.011 5.141 2.293 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.337 5.881 2.374 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.100 3.976 1.318 1.00 0.00 C ATOM 0 H VAL A 50 -5.204 5.364 2.904 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.024 6.398 0.843 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.784 4.742 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.124 5.186 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.264 6.678 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.574 6.310 1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.905 3.307 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.303 4.355 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.156 3.431 1.315 1.00 0.00 H new ATOM 776 N HIS A 51 -7.136 8.498 2.153 1.00 0.00 N ATOM 777 CA HIS A 51 -7.207 9.755 2.890 1.00 0.00 C ATOM 778 C HIS A 51 -8.410 10.580 2.442 1.00 0.00 C ATOM 779 O HIS A 51 -8.709 10.664 1.252 1.00 0.00 O ATOM 780 CB HIS A 51 -5.921 10.559 2.693 1.00 0.00 C ATOM 781 CG HIS A 51 -5.668 11.558 3.779 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.796 11.457 5.123 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.229 12.842 3.533 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.435 12.669 5.659 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.097 13.487 4.679 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.257 8.593 1.145 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.322 9.521 3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.077 9.871 2.639 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.970 11.079 1.736 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -6.103 10.634 5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.025 13.256 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.429 12.913 6.711 1.00 0.00 H new ATOM 794 N GLY A 52 -9.097 11.187 3.405 1.00 0.00 N ATOM 795 CA GLY A 52 -10.260 11.996 3.090 1.00 0.00 C ATOM 796 C GLY A 52 -10.032 13.470 3.361 1.00 0.00 C ATOM 797 O GLY A 52 -10.808 14.104 4.075 1.00 0.00 O ATOM 0 H GLY A 52 -8.869 11.133 4.398 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.521 11.859 2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.110 11.649 3.678 1.00 0.00 H new ATOM 801 N ASP A 53 -8.963 14.016 2.792 1.00 0.00 N ATOM 802 CA ASP A 53 -8.634 15.424 2.976 1.00 0.00 C ATOM 803 C ASP A 53 -9.847 16.307 2.699 1.00 0.00 C ATOM 804 O ASP A 53 -10.267 17.087 3.552 1.00 0.00 O ATOM 805 CB ASP A 53 -7.477 15.824 2.059 1.00 0.00 C ATOM 806 CG ASP A 53 -7.456 17.312 1.768 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.837 18.062 2.553 1.00 0.00 O ATOM 808 OD2 ASP A 53 -8.058 17.727 0.756 1.00 0.00 O ATOM 0 H ASP A 53 -8.309 13.504 2.199 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.332 15.568 4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.534 15.534 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.554 15.274 1.121 1.00 0.00 H new ATOM 813 N GLY A 54 -10.405 16.177 1.499 1.00 0.00 N ATOM 814 CA GLY A 54 -11.564 16.970 1.131 1.00 0.00 C ATOM 815 C GLY A 54 -12.859 16.382 1.655 1.00 0.00 C ATOM 816 O GLY A 54 -12.937 15.966 2.812 1.00 0.00 O ATOM 0 H GLY A 54 -10.076 15.537 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.445 17.982 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.617 17.048 0.045 1.00 0.00 H new ATOM 820 N HIS A 55 -13.879 16.348 0.804 1.00 0.00 N ATOM 821 CA HIS A 55 -15.178 15.808 1.189 1.00 0.00 C ATOM 822 C HIS A 55 -15.200 14.289 1.042 1.00 0.00 C ATOM 823 O HIS A 55 -14.384 13.714 0.322 1.00 0.00 O ATOM 824 CB HIS A 55 -16.285 16.430 0.337 1.00 0.00 C ATOM 825 CG HIS A 55 -16.824 17.710 0.897 1.00 0.00 C ATOM 826 ND1 HIS A 55 -18.168 17.930 1.114 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.191 18.842 1.286 1.00 0.00 C ATOM 828 CE1 HIS A 55 -18.338 19.142 1.611 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.154 19.716 1.726 1.00 0.00 N ATOM 0 H HIS A 55 -13.831 16.688 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.352 16.057 2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.900 16.615 -0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.101 15.714 0.238 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.127 19.024 1.256 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -19.285 19.588 1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.983 20.656 2.084 1.00 0.00 H new ATOM 838 N ALA A 56 -16.137 13.647 1.731 1.00 0.00 N ATOM 839 CA ALA A 56 -16.265 12.196 1.676 1.00 0.00 C ATOM 840 C ALA A 56 -16.459 11.715 0.242 1.00 0.00 C ATOM 841 O ALA A 56 -15.901 10.695 -0.160 1.00 0.00 O ATOM 842 CB ALA A 56 -17.423 11.735 2.550 1.00 0.00 C ATOM 0 H ALA A 56 -16.818 14.108 2.334 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.341 11.760 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.507 10.649 2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.243 12.037 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.349 12.188 2.195 1.00 0.00 H new ATOM 848 N GLU A 57 -17.254 12.457 -0.523 1.00 0.00 N ATOM 849 CA GLU A 57 -17.522 12.104 -1.913 1.00 0.00 C ATOM 850 C GLU A 57 -16.280 12.309 -2.775 1.00 0.00 C ATOM 851 O GLU A 57 -16.165 11.744 -3.862 1.00 0.00 O ATOM 852 CB GLU A 57 -18.681 12.939 -2.460 1.00 0.00 C ATOM 853 CG GLU A 57 -19.222 12.434 -3.787 1.00 0.00 C ATOM 854 CD GLU A 57 -20.177 11.268 -3.620 1.00 0.00 C ATOM 855 OE1 GLU A 57 -21.391 11.514 -3.456 1.00 0.00 O ATOM 856 OE2 GLU A 57 -19.712 10.109 -3.653 1.00 0.00 O ATOM 0 H GLU A 57 -17.723 13.305 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.796 11.050 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -19.488 12.948 -1.728 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.349 13.970 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.734 13.248 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.390 12.130 -4.422 1.00 0.00 H new ATOM 863 N ASN A 58 -15.352 13.124 -2.282 1.00 0.00 N ATOM 864 CA ASN A 58 -14.119 13.406 -3.008 1.00 0.00 C ATOM 865 C ASN A 58 -12.916 12.796 -2.294 1.00 0.00 C ATOM 866 O ASN A 58 -11.864 13.425 -2.180 1.00 0.00 O ATOM 867 CB ASN A 58 -13.925 14.916 -3.158 1.00 0.00 C ATOM 868 CG ASN A 58 -15.044 15.567 -3.948 1.00 0.00 C ATOM 869 OD1 ASN A 58 -16.281 15.211 -3.625 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.798 16.381 -4.839 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.431 13.600 -1.383 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.198 12.956 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.869 15.372 -2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.974 15.110 -3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.831 16.625 -5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.561 16.811 -5.362 1.00 0.00 H new ATOM 877 N LEU A 59 -13.080 11.567 -1.816 1.00 0.00 N ATOM 878 CA LEU A 59 -12.008 10.871 -1.114 1.00 0.00 C ATOM 879 C LEU A 59 -10.875 10.511 -2.070 1.00 0.00 C ATOM 880 O LEU A 59 -11.095 10.312 -3.264 1.00 0.00 O ATOM 881 CB LEU A 59 -12.547 9.605 -0.445 1.00 0.00 C ATOM 882 CG LEU A 59 -11.517 8.735 0.276 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.334 9.204 1.711 1.00 0.00 C ATOM 884 CD2 LEU A 59 -11.935 7.272 0.240 1.00 0.00 C ATOM 0 H LEU A 59 -13.945 11.033 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.615 11.540 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.313 9.896 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.037 8.997 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.562 8.832 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.597 8.573 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.988 10.238 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.285 9.138 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.190 6.668 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.901 7.157 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.014 6.942 -0.796 1.00 0.00 H new ATOM 896 N VAL A 60 -9.660 10.427 -1.535 1.00 0.00 N ATOM 897 CA VAL A 60 -8.493 10.088 -2.339 1.00 0.00 C ATOM 898 C VAL A 60 -7.919 8.735 -1.932 1.00 0.00 C ATOM 899 O VAL A 60 -7.704 8.472 -0.750 1.00 0.00 O ATOM 900 CB VAL A 60 -7.393 11.158 -2.211 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.058 10.613 -2.695 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.778 12.412 -2.982 1.00 0.00 C ATOM 0 H VAL A 60 -9.460 10.589 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.826 10.042 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.289 11.423 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.293 11.384 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.780 9.747 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.143 10.318 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.990 13.158 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.911 12.165 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.710 12.813 -2.583 1.00 0.00 H new ATOM 912 N GLN A 61 -7.675 7.881 -2.921 1.00 0.00 N ATOM 913 CA GLN A 61 -7.126 6.554 -2.665 1.00 0.00 C ATOM 914 C GLN A 61 -6.000 6.233 -3.642 1.00 0.00 C ATOM 915 O GLN A 61 -6.207 6.206 -4.855 1.00 0.00 O ATOM 916 CB GLN A 61 -8.226 5.496 -2.770 1.00 0.00 C ATOM 917 CG GLN A 61 -9.391 5.733 -1.823 1.00 0.00 C ATOM 918 CD GLN A 61 -10.561 4.809 -2.095 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.913 4.557 -3.248 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.172 4.298 -1.032 1.00 0.00 N ATOM 0 H GLN A 61 -7.848 8.084 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.718 6.545 -1.654 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.600 5.473 -3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.796 4.515 -2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.054 5.593 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.722 6.768 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.847 4.534 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.966 3.670 -1.153 1.00 0.00 H new ATOM 929 N TRP A 62 -4.810 5.991 -3.106 1.00 0.00 N ATOM 930 CA TRP A 62 -3.650 5.672 -3.931 1.00 0.00 C ATOM 931 C TRP A 62 -2.873 4.498 -3.347 1.00 0.00 C ATOM 932 O TRP A 62 -2.870 4.286 -2.135 1.00 0.00 O ATOM 933 CB TRP A 62 -2.737 6.892 -4.057 1.00 0.00 C ATOM 934 CG TRP A 62 -2.012 7.225 -2.789 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.704 6.960 -2.499 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.554 7.882 -1.638 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.400 7.413 -1.238 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.518 7.984 -0.689 1.00 0.00 C ATOM 939 CE3 TRP A 62 -3.814 8.397 -1.318 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.706 8.577 0.556 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -3.998 8.985 -0.082 1.00 0.00 C ATOM 942 CH2 TRP A 62 -2.949 9.072 0.843 1.00 0.00 C ATOM 0 H TRP A 62 -4.622 6.009 -2.104 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.007 5.390 -4.922 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.008 6.711 -4.847 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.332 7.752 -4.363 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.010 6.467 -3.164 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.510 7.337 -0.784 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.629 8.336 -2.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.899 8.644 1.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.967 9.385 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.125 9.539 1.801 1.00 0.00 H new ATOM 953 N GLU A 63 -2.214 3.738 -4.217 1.00 0.00 N ATOM 954 CA GLU A 63 -1.433 2.585 -3.785 1.00 0.00 C ATOM 955 C GLU A 63 0.033 2.962 -3.589 1.00 0.00 C ATOM 956 O GLU A 63 0.540 3.878 -4.236 1.00 0.00 O ATOM 957 CB GLU A 63 -1.547 1.452 -4.807 1.00 0.00 C ATOM 958 CG GLU A 63 -2.904 0.768 -4.808 1.00 0.00 C ATOM 959 CD GLU A 63 -3.112 -0.113 -6.025 1.00 0.00 C ATOM 960 OE1 GLU A 63 -2.575 0.224 -7.101 1.00 0.00 O ATOM 961 OE2 GLU A 63 -3.811 -1.140 -5.900 1.00 0.00 O ATOM 0 H GLU A 63 -2.206 3.900 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.833 2.245 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.350 1.850 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.775 0.710 -4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.003 0.164 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.688 1.524 -4.773 1.00 0.00 H new ATOM 968 N MET A 64 0.706 2.250 -2.692 1.00 0.00 N ATOM 969 CA MET A 64 2.114 2.510 -2.411 1.00 0.00 C ATOM 970 C MET A 64 2.911 1.210 -2.383 1.00 0.00 C ATOM 971 O MET A 64 3.042 0.575 -1.338 1.00 0.00 O ATOM 972 CB MET A 64 2.263 3.242 -1.076 1.00 0.00 C ATOM 973 CG MET A 64 2.080 4.747 -1.185 1.00 0.00 C ATOM 974 SD MET A 64 2.312 5.591 0.391 1.00 0.00 S ATOM 975 CE MET A 64 4.093 5.787 0.411 1.00 0.00 C ATOM 0 H MET A 64 0.300 1.489 -2.147 1.00 0.00 H new ATOM 0 HA MET A 64 2.508 3.140 -3.208 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.533 2.846 -0.370 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.250 3.033 -0.665 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.788 5.143 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.081 4.961 -1.564 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.365 6.565 1.124 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.559 4.846 0.704 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.439 6.069 -0.583 1.00 0.00 H new ATOM 985 N GLU A 65 3.442 0.821 -3.539 1.00 0.00 N ATOM 986 CA GLU A 65 4.225 -0.404 -3.645 1.00 0.00 C ATOM 987 C GLU A 65 5.719 -0.093 -3.686 1.00 0.00 C ATOM 988 O GLU A 65 6.139 0.912 -4.258 1.00 0.00 O ATOM 989 CB GLU A 65 3.821 -1.187 -4.896 1.00 0.00 C ATOM 990 CG GLU A 65 4.866 -2.194 -5.347 1.00 0.00 C ATOM 991 CD GLU A 65 5.148 -3.252 -4.299 1.00 0.00 C ATOM 992 OE1 GLU A 65 4.227 -4.036 -3.985 1.00 0.00 O ATOM 993 OE2 GLU A 65 6.289 -3.297 -3.792 1.00 0.00 O ATOM 0 H GLU A 65 3.344 1.336 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 65 4.022 -1.012 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.885 -1.710 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.630 -0.485 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.527 -2.677 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.791 -1.669 -5.586 1.00 0.00 H new ATOM 1000 N VAL A 66 6.516 -0.963 -3.074 1.00 0.00 N ATOM 1001 CA VAL A 66 7.962 -0.783 -3.041 1.00 0.00 C ATOM 1002 C VAL A 66 8.661 -1.773 -3.966 1.00 0.00 C ATOM 1003 O VAL A 66 8.794 -2.954 -3.641 1.00 0.00 O ATOM 1004 CB VAL A 66 8.516 -0.952 -1.614 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.006 -0.648 -1.580 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.759 -0.061 -0.640 1.00 0.00 C ATOM 0 H VAL A 66 6.184 -1.800 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 66 8.162 0.232 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 66 8.374 -1.989 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.380 -0.773 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.532 -1.331 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.175 0.378 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.163 -0.193 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.867 0.981 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.703 -0.332 -0.644 1.00 0.00 H new ATOM 1016 N CYS A 67 9.105 -1.285 -5.119 1.00 0.00 N ATOM 1017 CA CYS A 67 9.790 -2.127 -6.093 1.00 0.00 C ATOM 1018 C CYS A 67 11.101 -1.487 -6.538 1.00 0.00 C ATOM 1019 O CYS A 67 11.373 -0.326 -6.231 1.00 0.00 O ATOM 1020 CB CYS A 67 8.892 -2.376 -7.305 1.00 0.00 C ATOM 1021 SG CYS A 67 9.224 -3.933 -8.162 1.00 0.00 S ATOM 0 H CYS A 67 9.003 -0.310 -5.402 1.00 0.00 H new ATOM 0 HA CYS A 67 10.016 -3.081 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.851 -2.367 -6.981 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.014 -1.553 -8.009 1.00 0.00 H new ATOM 0 HG CYS A 67 8.413 -4.055 -9.171 1.00 0.00 H new ATOM 1027 N LYS A 68 11.910 -2.251 -7.264 1.00 0.00 N ATOM 1028 CA LYS A 68 13.193 -1.760 -7.753 1.00 0.00 C ATOM 1029 C LYS A 68 13.036 -1.091 -9.114 1.00 0.00 C ATOM 1030 O LYS A 68 12.273 -1.556 -9.962 1.00 0.00 O ATOM 1031 CB LYS A 68 14.199 -2.909 -7.850 1.00 0.00 C ATOM 1032 CG LYS A 68 13.757 -4.027 -8.778 1.00 0.00 C ATOM 1033 CD LYS A 68 14.311 -5.371 -8.335 1.00 0.00 C ATOM 1034 CE LYS A 68 15.782 -5.514 -8.692 1.00 0.00 C ATOM 1035 NZ LYS A 68 15.969 -5.998 -10.088 1.00 0.00 N ATOM 0 H LYS A 68 11.700 -3.214 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 68 13.564 -1.020 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.154 -2.516 -8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.366 -3.319 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.668 -4.072 -8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.090 -3.812 -9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.185 -5.480 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.742 -6.173 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.280 -4.552 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.258 -6.209 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.985 -6.082 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.515 -6.928 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.537 -5.322 -10.750 1.00 0.00 H new ATOM 1049 N LEU A 69 13.764 0.002 -9.319 1.00 0.00 N ATOM 1050 CA LEU A 69 13.706 0.734 -10.579 1.00 0.00 C ATOM 1051 C LEU A 69 14.522 0.028 -11.657 1.00 0.00 C ATOM 1052 O LEU A 69 15.585 -0.536 -11.396 1.00 0.00 O ATOM 1053 CB LEU A 69 14.222 2.161 -10.386 1.00 0.00 C ATOM 1054 CG LEU A 69 13.527 2.986 -9.302 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.322 4.246 -8.998 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.109 3.337 -9.726 1.00 0.00 C ATOM 0 H LEU A 69 14.401 0.400 -8.629 1.00 0.00 H new ATOM 0 HA LEU A 69 12.666 0.770 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.285 2.113 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.128 2.691 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 69 13.475 2.386 -8.393 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.812 4.820 -8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.318 3.973 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.407 4.850 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.630 3.924 -8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.138 3.918 -10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.542 2.421 -9.892 1.00 0.00 H new ATOM 1068 N PRO A 70 14.016 0.060 -12.898 1.00 0.00 N ATOM 1069 CA PRO A 70 14.683 -0.570 -14.042 1.00 0.00 C ATOM 1070 C PRO A 70 15.963 0.157 -14.439 1.00 0.00 C ATOM 1071 O PRO A 70 17.019 -0.459 -14.583 1.00 0.00 O ATOM 1072 CB PRO A 70 13.642 -0.470 -15.159 1.00 0.00 C ATOM 1073 CG PRO A 70 12.796 0.698 -14.785 1.00 0.00 C ATOM 1074 CD PRO A 70 12.754 0.714 -13.282 1.00 0.00 C ATOM 0 HA PRO A 70 14.994 -1.591 -13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.116 -0.321 -16.129 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.049 -1.382 -15.230 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.217 1.625 -15.174 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.794 0.604 -15.203 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.693 1.730 -12.893 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.889 0.174 -12.898 1.00 0.00 H new ATOM 1082 N ARG A 71 15.862 1.471 -14.614 1.00 0.00 N ATOM 1083 CA ARG A 71 17.012 2.282 -14.996 1.00 0.00 C ATOM 1084 C ARG A 71 17.956 2.476 -13.813 1.00 0.00 C ATOM 1085 O ARG A 71 19.172 2.333 -13.946 1.00 0.00 O ATOM 1086 CB ARG A 71 16.551 3.642 -15.524 1.00 0.00 C ATOM 1087 CG ARG A 71 17.554 4.306 -16.453 1.00 0.00 C ATOM 1088 CD ARG A 71 18.910 4.469 -15.785 1.00 0.00 C ATOM 1089 NE ARG A 71 19.642 5.619 -16.307 1.00 0.00 N ATOM 1090 CZ ARG A 71 19.325 6.880 -16.033 1.00 0.00 C ATOM 1091 NH1 ARG A 71 18.293 7.150 -15.245 1.00 0.00 N ATOM 1092 NH2 ARG A 71 20.040 7.872 -16.546 1.00 0.00 N ATOM 0 H ARG A 71 14.996 1.996 -14.497 1.00 0.00 H new ATOM 0 HA ARG A 71 17.550 1.757 -15.786 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.607 3.516 -16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.357 4.304 -14.680 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.663 3.709 -17.359 1.00 0.00 H new ATOM 0 HG3 ARG A 71 17.178 5.283 -16.758 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.773 4.584 -14.710 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.500 3.565 -15.936 1.00 0.00 H new ATOM 0 HE ARG A 71 20.441 5.445 -16.916 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.741 6.389 -14.848 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.051 8.118 -15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.835 7.668 -17.152 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.795 8.839 -16.335 1.00 0.00 H new ATOM 1106 N LEU A 72 17.389 2.804 -12.658 1.00 0.00 N ATOM 1107 CA LEU A 72 18.180 3.020 -11.451 1.00 0.00 C ATOM 1108 C LEU A 72 18.354 1.718 -10.675 1.00 0.00 C ATOM 1109 O LEU A 72 17.651 0.738 -10.921 1.00 0.00 O ATOM 1110 CB LEU A 72 17.514 4.071 -10.562 1.00 0.00 C ATOM 1111 CG LEU A 72 17.509 5.502 -11.103 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.426 5.670 -12.157 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.313 6.499 -9.970 1.00 0.00 C ATOM 0 H LEU A 72 16.384 2.926 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 72 19.165 3.378 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.482 3.767 -10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.017 4.071 -9.595 1.00 0.00 H new ATOM 0 HG LEU A 72 18.474 5.698 -11.570 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.437 6.694 -12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.611 4.981 -12.981 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.453 5.455 -11.716 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.312 7.512 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.362 6.305 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.125 6.396 -9.250 1.00 0.00 H new ATOM 1125 N SER A 73 19.294 1.717 -9.735 1.00 0.00 N ATOM 1126 CA SER A 73 19.562 0.535 -8.924 1.00 0.00 C ATOM 1127 C SER A 73 19.170 0.775 -7.469 1.00 0.00 C ATOM 1128 O SER A 73 19.963 0.549 -6.554 1.00 0.00 O ATOM 1129 CB SER A 73 21.042 0.157 -9.009 1.00 0.00 C ATOM 1130 OG SER A 73 21.868 1.232 -8.598 1.00 0.00 O ATOM 0 H SER A 73 19.882 2.521 -9.516 1.00 0.00 H new ATOM 0 HA SER A 73 18.961 -0.287 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.235 -0.714 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.290 -0.126 -10.032 1.00 0.00 H new ATOM 0 HG SER A 73 21.721 1.412 -7.646 1.00 0.00 H new ATOM 1136 N LEU A 74 17.940 1.234 -7.262 1.00 0.00 N ATOM 1137 CA LEU A 74 17.440 1.505 -5.919 1.00 0.00 C ATOM 1138 C LEU A 74 15.955 1.177 -5.814 1.00 0.00 C ATOM 1139 O LEU A 74 15.309 0.852 -6.810 1.00 0.00 O ATOM 1140 CB LEU A 74 17.677 2.971 -5.552 1.00 0.00 C ATOM 1141 CG LEU A 74 19.086 3.508 -5.806 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.043 4.996 -6.117 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.984 3.238 -4.607 1.00 0.00 C ATOM 0 H LEU A 74 17.271 1.426 -8.008 1.00 0.00 H new ATOM 0 HA LEU A 74 17.984 0.869 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.970 3.584 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.445 3.102 -4.495 1.00 0.00 H new ATOM 0 HG LEU A 74 19.501 2.989 -6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.055 5.360 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.435 5.164 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.608 5.532 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.983 3.627 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.572 3.729 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 74 20.041 2.164 -4.430 1.00 0.00 H new ATOM 1155 N ASN A 75 15.418 1.266 -4.601 1.00 0.00 N ATOM 1156 CA ASN A 75 14.008 0.979 -4.367 1.00 0.00 C ATOM 1157 C ASN A 75 13.179 2.259 -4.407 1.00 0.00 C ATOM 1158 O ASN A 75 13.384 3.170 -3.607 1.00 0.00 O ATOM 1159 CB ASN A 75 13.825 0.283 -3.017 1.00 0.00 C ATOM 1160 CG ASN A 75 14.975 -0.650 -2.687 1.00 0.00 C ATOM 1161 OD1 ASN A 75 14.706 -1.950 -2.704 1.00 0.00 O flip ATOM 1162 ND2 ASN A 75 16.092 -0.206 -2.420 1.00 0.00 N flip ATOM 0 H ASN A 75 15.938 1.534 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 75 13.661 0.317 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.734 1.035 -2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.893 -0.282 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.254 0.801 -2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.856 -0.845 -2.200 1.00 0.00 H new ATOM 1169 N GLY A 76 12.239 2.320 -5.346 1.00 0.00 N ATOM 1170 CA GLY A 76 11.393 3.492 -5.474 1.00 0.00 C ATOM 1171 C GLY A 76 9.938 3.192 -5.171 1.00 0.00 C ATOM 1172 O GLY A 76 9.418 2.147 -5.560 1.00 0.00 O ATOM 0 H GLY A 76 12.049 1.579 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.749 4.269 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.476 3.888 -6.486 1.00 0.00 H new ATOM 1176 N VAL A 77 9.280 4.111 -4.471 1.00 0.00 N ATOM 1177 CA VAL A 77 7.876 3.940 -4.115 1.00 0.00 C ATOM 1178 C VAL A 77 6.962 4.462 -5.217 1.00 0.00 C ATOM 1179 O VAL A 77 6.898 5.666 -5.466 1.00 0.00 O ATOM 1180 CB VAL A 77 7.539 4.663 -2.797 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.174 4.232 -2.285 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.616 4.401 -1.755 1.00 0.00 C ATOM 0 H VAL A 77 9.696 4.981 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 77 7.710 2.870 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 77 7.506 5.735 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.954 4.753 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.413 4.477 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.175 3.157 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.362 4.919 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.684 3.330 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.575 4.766 -2.123 1.00 0.00 H new ATOM 1192 N ARG A 78 6.254 3.548 -5.873 1.00 0.00 N ATOM 1193 CA ARG A 78 5.343 3.916 -6.950 1.00 0.00 C ATOM 1194 C ARG A 78 3.954 4.231 -6.403 1.00 0.00 C ATOM 1195 O ARG A 78 3.440 3.521 -5.538 1.00 0.00 O ATOM 1196 CB ARG A 78 5.254 2.788 -7.980 1.00 0.00 C ATOM 1197 CG ARG A 78 5.433 1.402 -7.381 1.00 0.00 C ATOM 1198 CD ARG A 78 5.069 0.314 -8.379 1.00 0.00 C ATOM 1199 NE ARG A 78 6.215 -0.091 -9.190 1.00 0.00 N ATOM 1200 CZ ARG A 78 6.282 -1.245 -9.843 1.00 0.00 C ATOM 1201 NH1 ARG A 78 5.275 -2.105 -9.781 1.00 0.00 N ATOM 1202 NH2 ARG A 78 7.358 -1.542 -10.560 1.00 0.00 N ATOM 0 H ARG A 78 6.294 2.548 -5.677 1.00 0.00 H new ATOM 0 HA ARG A 78 5.735 4.810 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.286 2.837 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.014 2.945 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.467 1.273 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.810 1.305 -6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.679 -0.552 -7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.272 0.672 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 78 7.007 0.548 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.446 -1.881 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.329 -2.991 -10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.135 -0.883 -10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.408 -2.429 -11.061 1.00 0.00 H new ATOM 1216 N PHE A 79 3.351 5.301 -6.912 1.00 0.00 N ATOM 1217 CA PHE A 79 2.023 5.711 -6.474 1.00 0.00 C ATOM 1218 C PHE A 79 1.009 5.571 -7.606 1.00 0.00 C ATOM 1219 O PHE A 79 1.161 6.173 -8.669 1.00 0.00 O ATOM 1220 CB PHE A 79 2.051 7.157 -5.975 1.00 0.00 C ATOM 1221 CG PHE A 79 2.731 7.320 -4.646 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.022 6.855 -4.452 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.081 7.939 -3.591 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.650 7.003 -3.230 1.00 0.00 C ATOM 1225 CE2 PHE A 79 2.705 8.090 -2.366 1.00 0.00 C ATOM 1226 CZ PHE A 79 3.991 7.622 -2.186 1.00 0.00 C ATOM 0 H PHE A 79 3.762 5.899 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 79 1.720 5.058 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.560 7.778 -6.713 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.028 7.526 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.543 6.371 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.075 8.308 -3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.656 6.635 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.187 8.574 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.481 7.740 -1.231 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.026 4.771 -7.370 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.066 4.551 -8.367 1.00 0.00 C ATOM 1238 C LYS A 80 -2.388 5.168 -7.920 1.00 0.00 C ATOM 1239 O LYS A 80 -2.969 4.754 -6.918 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.250 3.053 -8.620 1.00 0.00 C ATOM 1241 CG LYS A 80 -1.748 2.728 -10.018 1.00 0.00 C ATOM 1242 CD LYS A 80 -3.266 2.706 -10.078 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.765 1.902 -11.268 1.00 0.00 C ATOM 1244 NZ LYS A 80 -3.937 0.461 -10.931 1.00 0.00 N ATOM 0 H LYS A 80 -0.166 4.264 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.754 5.034 -9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.299 2.546 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.955 2.654 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.366 3.467 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.357 1.759 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.661 2.278 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.643 3.726 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.716 2.311 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.060 2.000 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.278 -0.053 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.024 0.064 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.628 0.365 -10.160 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.856 6.159 -8.672 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.110 6.832 -8.353 1.00 0.00 C ATOM 1260 C ARG A 81 -5.299 5.904 -8.582 1.00 0.00 C ATOM 1261 O ARG A 81 -5.587 5.516 -9.715 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.264 8.096 -9.200 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.604 8.792 -9.019 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.662 10.100 -9.792 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.088 9.900 -11.174 1.00 0.00 N ATOM 1266 CZ ARG A 81 -5.260 9.570 -12.159 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.967 9.404 -11.914 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.723 9.405 -13.391 1.00 0.00 N ATOM 0 H ARG A 81 -2.387 6.513 -9.505 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.087 7.110 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.465 8.793 -8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.138 7.836 -10.251 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.405 8.134 -9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.774 8.986 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.350 10.784 -9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.680 10.572 -9.780 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.076 10.020 -11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.607 9.530 -10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.333 9.151 -12.672 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.717 9.532 -13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.085 9.152 -14.146 1.00 0.00 H new ATOM 1282 N ILE A 82 -5.986 5.553 -7.500 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.144 4.671 -7.584 1.00 0.00 C ATOM 1284 C ILE A 82 -8.411 5.457 -7.903 1.00 0.00 C ATOM 1285 O ILE A 82 -9.034 5.254 -8.945 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.353 3.891 -6.273 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.078 3.134 -5.895 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.525 2.931 -6.410 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.595 2.189 -6.972 1.00 0.00 C ATOM 0 H ILE A 82 -5.761 5.866 -6.555 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.945 3.964 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.580 4.600 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.290 3.854 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.258 2.568 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.661 2.387 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.431 3.493 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.324 2.225 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.688 1.687 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.366 1.446 -7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.382 2.752 -7.881 1.00 0.00 H new ATOM 1301 N SER A 83 -8.786 6.358 -7.000 1.00 0.00 N ATOM 1302 CA SER A 83 -9.980 7.174 -7.183 1.00 0.00 C ATOM 1303 C SER A 83 -9.645 8.658 -7.076 1.00 0.00 C ATOM 1304 O SER A 83 -8.495 9.032 -6.851 1.00 0.00 O ATOM 1305 CB SER A 83 -11.042 6.802 -6.146 1.00 0.00 C ATOM 1306 OG SER A 83 -11.286 5.407 -6.144 1.00 0.00 O ATOM 0 H SER A 83 -8.279 6.541 -6.134 1.00 0.00 H new ATOM 0 HA SER A 83 -10.374 6.980 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.714 7.118 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.968 7.336 -6.361 1.00 0.00 H new ATOM 0 HG SER A 83 -11.181 5.058 -5.234 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.661 9.501 -7.240 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.455 10.935 -7.158 1.00 0.00 C ATOM 1314 C GLY A 84 -9.741 11.489 -8.376 1.00 0.00 C ATOM 1315 O GLY A 84 -8.987 10.777 -9.040 1.00 0.00 O ATOM 0 H GLY A 84 -11.622 9.216 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.419 11.432 -7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.875 11.165 -6.265 1.00 0.00 H new ATOM 1319 N THR A 85 -9.981 12.762 -8.672 1.00 0.00 N ATOM 1320 CA THR A 85 -9.358 13.410 -9.819 1.00 0.00 C ATOM 1321 C THR A 85 -7.859 13.588 -9.604 1.00 0.00 C ATOM 1322 O THR A 85 -7.332 13.262 -8.540 1.00 0.00 O ATOM 1323 CB THR A 85 -9.991 14.786 -10.100 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.514 15.300 -11.348 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.667 15.769 -8.984 1.00 0.00 C ATOM 0 H THR A 85 -10.603 13.365 -8.133 1.00 0.00 H new ATOM 0 HA THR A 85 -9.525 12.759 -10.677 1.00 0.00 H new ATOM 0 HB THR A 85 -11.073 14.660 -10.150 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.923 16.174 -11.519 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.125 16.733 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.058 15.389 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.586 15.889 -8.907 1.00 0.00 H new ATOM 1333 N SER A 86 -7.177 14.107 -10.620 1.00 0.00 N ATOM 1334 CA SER A 86 -5.738 14.325 -10.542 1.00 0.00 C ATOM 1335 C SER A 86 -5.398 15.320 -9.436 1.00 0.00 C ATOM 1336 O SER A 86 -4.563 15.044 -8.574 1.00 0.00 O ATOM 1337 CB SER A 86 -5.204 14.834 -11.883 1.00 0.00 C ATOM 1338 OG SER A 86 -6.142 15.690 -12.513 1.00 0.00 O ATOM 0 H SER A 86 -7.598 14.384 -11.507 1.00 0.00 H new ATOM 0 HA SER A 86 -5.264 13.372 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.267 15.369 -11.726 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.983 13.989 -12.535 1.00 0.00 H new ATOM 0 HG SER A 86 -5.777 16.003 -13.367 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.050 16.477 -9.469 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.818 17.512 -8.470 1.00 0.00 C ATOM 1346 C ILE A 87 -5.744 16.917 -7.068 1.00 0.00 C ATOM 1347 O ILE A 87 -4.697 16.950 -6.423 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.924 18.584 -8.503 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.758 19.482 -9.730 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.897 19.412 -7.227 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.358 18.899 -10.991 1.00 0.00 C ATOM 0 H ILE A 87 -6.743 16.721 -10.177 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.864 17.978 -8.715 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.891 18.085 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.222 20.448 -9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.696 19.667 -9.894 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.684 20.165 -7.265 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.059 18.761 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.929 19.904 -7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.203 19.589 -11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.877 17.947 -11.216 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.427 18.740 -10.846 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.863 16.371 -6.603 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.924 15.764 -5.280 1.00 0.00 C ATOM 1365 C ALA A 88 -5.777 14.781 -5.072 1.00 0.00 C ATOM 1366 O ALA A 88 -5.036 14.874 -4.094 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.262 15.067 -5.080 1.00 0.00 C ATOM 0 H ALA A 88 -7.740 16.337 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.826 16.558 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.294 14.618 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.069 15.794 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.383 14.289 -5.834 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.636 13.839 -5.999 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.580 12.838 -5.917 1.00 0.00 C ATOM 1375 C PHE A 89 -3.226 13.495 -5.665 1.00 0.00 C ATOM 1376 O PHE A 89 -2.606 13.287 -4.622 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.528 12.014 -7.206 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.279 11.190 -7.340 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -2.783 10.479 -6.259 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.602 11.126 -8.547 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -1.635 9.719 -6.379 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.453 10.368 -8.673 1.00 0.00 C ATOM 1383 CZ PHE A 89 -0.968 9.664 -7.588 1.00 0.00 C ATOM 0 H PHE A 89 -6.240 13.748 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.805 12.177 -5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.395 11.354 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.604 12.686 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.300 10.519 -5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.976 11.674 -9.399 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.260 9.169 -5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.935 10.326 -9.620 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.070 9.072 -7.684 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.772 14.289 -6.629 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.492 14.978 -6.514 1.00 0.00 C ATOM 1395 C LYS A 90 -1.414 15.767 -5.211 1.00 0.00 C ATOM 1396 O LYS A 90 -0.329 16.016 -4.689 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.287 15.918 -7.705 1.00 0.00 C ATOM 1398 CG LYS A 90 -0.671 15.239 -8.916 1.00 0.00 C ATOM 1399 CD LYS A 90 -0.147 16.254 -9.918 1.00 0.00 C ATOM 1400 CE LYS A 90 -1.218 16.649 -10.923 1.00 0.00 C ATOM 1401 NZ LYS A 90 -1.425 15.596 -11.956 1.00 0.00 N ATOM 0 H LYS A 90 -3.272 14.471 -7.499 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.702 14.227 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.248 16.346 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.647 16.746 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.143 14.589 -8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.415 14.604 -9.396 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.203 17.141 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.712 15.837 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.156 16.834 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.934 17.583 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.061 15.956 -12.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.510 15.340 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.849 14.755 -11.515 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.574 16.157 -4.691 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.636 16.917 -3.447 1.00 0.00 C ATOM 1417 C ASN A 91 -1.926 16.175 -2.319 1.00 0.00 C ATOM 1418 O ASN A 91 -0.863 16.593 -1.860 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.092 17.183 -3.061 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.244 18.419 -2.196 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.563 18.568 -1.181 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.142 19.313 -2.594 1.00 0.00 N ATOM 0 H ASN A 91 -3.482 15.960 -5.111 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.129 17.869 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.689 17.300 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.487 16.319 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.289 20.164 -2.052 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.684 19.148 -3.442 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.520 15.071 -1.879 1.00 0.00 N ATOM 1430 CA ILE A 92 -1.944 14.269 -0.807 1.00 0.00 C ATOM 1431 C ILE A 92 -0.623 13.642 -1.238 1.00 0.00 C ATOM 1432 O ILE A 92 0.289 13.472 -0.430 1.00 0.00 O ATOM 1433 CB ILE A 92 -2.907 13.154 -0.357 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.275 12.327 0.764 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.274 12.266 -1.536 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.178 13.067 2.080 1.00 0.00 C ATOM 0 H ILE A 92 -3.400 14.711 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.767 14.944 0.031 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.819 13.612 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.861 11.419 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.276 12.016 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.955 11.483 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.759 12.866 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.371 11.812 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.720 12.420 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.568 13.961 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.176 13.354 2.410 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.527 13.300 -2.519 1.00 0.00 N ATOM 1449 CA ALA A 93 0.684 12.695 -3.060 1.00 0.00 C ATOM 1450 C ALA A 93 1.908 13.552 -2.757 1.00 0.00 C ATOM 1451 O ALA A 93 2.994 13.032 -2.500 1.00 0.00 O ATOM 1452 CB ALA A 93 0.543 12.483 -4.560 1.00 0.00 C ATOM 0 H ALA A 93 -1.274 13.432 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 93 0.823 11.727 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.454 12.031 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.302 11.824 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.376 13.443 -5.049 1.00 0.00 H new ATOM 1458 N SER A 94 1.726 14.868 -2.790 1.00 0.00 N ATOM 1459 CA SER A 94 2.818 15.798 -2.523 1.00 0.00 C ATOM 1460 C SER A 94 3.208 15.769 -1.048 1.00 0.00 C ATOM 1461 O SER A 94 4.275 16.249 -0.666 1.00 0.00 O ATOM 1462 CB SER A 94 2.418 17.217 -2.929 1.00 0.00 C ATOM 1463 OG SER A 94 3.560 18.025 -3.153 1.00 0.00 O ATOM 0 H SER A 94 0.833 15.315 -2.999 1.00 0.00 H new ATOM 0 HA SER A 94 3.679 15.488 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.810 17.182 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.802 17.662 -2.148 1.00 0.00 H new ATOM 0 HG SER A 94 3.277 18.927 -3.413 1.00 0.00 H new ATOM 1469 N LYS A 95 2.335 15.201 -0.223 1.00 0.00 N ATOM 1470 CA LYS A 95 2.586 15.107 1.210 1.00 0.00 C ATOM 1471 C LYS A 95 3.435 13.882 1.534 1.00 0.00 C ATOM 1472 O LYS A 95 4.354 13.952 2.351 1.00 0.00 O ATOM 1473 CB LYS A 95 1.263 15.041 1.977 1.00 0.00 C ATOM 1474 CG LYS A 95 0.317 16.186 1.658 1.00 0.00 C ATOM 1475 CD LYS A 95 0.738 17.468 2.355 1.00 0.00 C ATOM 1476 CE LYS A 95 0.228 18.697 1.617 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.994 19.921 1.982 1.00 0.00 N ATOM 0 H LYS A 95 1.447 14.799 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 95 3.133 15.998 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.767 14.097 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.472 15.041 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.291 16.348 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.695 15.920 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.356 17.471 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.825 17.507 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.300 18.531 0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.827 18.847 1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.616 20.736 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.905 20.094 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.997 19.788 1.739 1.00 0.00 H new ATOM 1491 N ILE A 96 3.123 12.764 0.889 1.00 0.00 N ATOM 1492 CA ILE A 96 3.860 11.525 1.108 1.00 0.00 C ATOM 1493 C ILE A 96 5.225 11.571 0.430 1.00 0.00 C ATOM 1494 O ILE A 96 6.260 11.535 1.094 1.00 0.00 O ATOM 1495 CB ILE A 96 3.079 10.306 0.583 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.604 10.408 0.979 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.688 9.018 1.117 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.393 10.757 2.435 1.00 0.00 C ATOM 0 H ILE A 96 2.365 12.690 0.210 1.00 0.00 H new ATOM 0 HA ILE A 96 3.995 11.423 2.185 1.00 0.00 H new ATOM 0 HB ILE A 96 3.143 10.293 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.121 11.163 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.112 9.459 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.126 8.165 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.725 8.943 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.650 9.022 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.325 10.812 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.847 9.990 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.855 11.721 2.649 1.00 0.00 H new ATOM 1510 N ALA A 97 5.218 11.652 -0.897 1.00 0.00 N ATOM 1511 CA ALA A 97 6.456 11.706 -1.665 1.00 0.00 C ATOM 1512 C ALA A 97 7.495 12.579 -0.970 1.00 0.00 C ATOM 1513 O ALA A 97 8.697 12.392 -1.151 1.00 0.00 O ATOM 1514 CB ALA A 97 6.183 12.224 -3.070 1.00 0.00 C ATOM 0 H ALA A 97 4.369 11.682 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 97 6.857 10.695 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.116 12.259 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.481 11.559 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.756 13.225 -3.012 1.00 0.00 H new ATOM 1520 N ASN A 98 7.023 13.534 -0.175 1.00 0.00 N ATOM 1521 CA ASN A 98 7.913 14.437 0.546 1.00 0.00 C ATOM 1522 C ASN A 98 8.122 13.963 1.981 1.00 0.00 C ATOM 1523 O ASN A 98 9.236 13.620 2.375 1.00 0.00 O ATOM 1524 CB ASN A 98 7.343 15.857 0.544 1.00 0.00 C ATOM 1525 CG ASN A 98 7.780 16.653 -0.670 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.605 16.217 -1.808 1.00 0.00 O ATOM 1527 ND2 ASN A 98 8.351 17.828 -0.433 1.00 0.00 N ATOM 0 H ASN A 98 6.030 13.702 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 98 8.878 14.439 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.254 15.809 0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.662 16.375 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.665 18.409 -1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.476 18.150 0.527 1.00 0.00 H new ATOM 1534 N GLU A 99 7.042 13.947 2.757 1.00 0.00 N ATOM 1535 CA GLU A 99 7.109 13.515 4.148 1.00 0.00 C ATOM 1536 C GLU A 99 7.986 12.275 4.292 1.00 0.00 C ATOM 1537 O GLU A 99 8.788 12.172 5.221 1.00 0.00 O ATOM 1538 CB GLU A 99 5.705 13.225 4.682 1.00 0.00 C ATOM 1539 CG GLU A 99 4.891 14.476 4.967 1.00 0.00 C ATOM 1540 CD GLU A 99 5.329 15.181 6.235 1.00 0.00 C ATOM 1541 OE1 GLU A 99 4.964 14.709 7.332 1.00 0.00 O ATOM 1542 OE2 GLU A 99 6.037 16.205 6.132 1.00 0.00 O ATOM 0 H GLU A 99 6.112 14.228 2.446 1.00 0.00 H new ATOM 0 HA GLU A 99 7.553 14.322 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.170 12.611 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.788 12.639 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.980 15.162 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.838 14.208 5.050 1.00 0.00 H new ATOM 1549 N LEU A 100 7.828 11.335 3.366 1.00 0.00 N ATOM 1550 CA LEU A 100 8.605 10.101 3.388 1.00 0.00 C ATOM 1551 C LEU A 100 10.055 10.377 3.772 1.00 0.00 C ATOM 1552 O LEU A 100 10.887 10.682 2.917 1.00 0.00 O ATOM 1553 CB LEU A 100 8.548 9.415 2.022 1.00 0.00 C ATOM 1554 CG LEU A 100 7.259 8.655 1.706 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.357 7.982 0.346 1.00 0.00 C ATOM 1556 CD2 LEU A 100 6.965 7.629 2.791 1.00 0.00 C ATOM 0 H LEU A 100 7.169 11.404 2.591 1.00 0.00 H new ATOM 0 HA LEU A 100 8.170 9.440 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.699 10.171 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.383 8.718 1.952 1.00 0.00 H new ATOM 0 HG LEU A 100 6.436 9.369 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.431 7.446 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.520 8.737 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.191 7.280 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.044 7.098 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.789 6.918 2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.851 8.135 3.749 1.00 0.00 H new ATOM 1568 N LYS A 101 10.352 10.266 5.062 1.00 0.00 N ATOM 1569 CA LYS A 101 11.702 10.500 5.560 1.00 0.00 C ATOM 1570 C LYS A 101 12.623 9.338 5.202 1.00 0.00 C ATOM 1571 O LYS A 101 12.975 8.526 6.059 1.00 0.00 O ATOM 1572 CB LYS A 101 11.681 10.700 7.077 1.00 0.00 C ATOM 1573 CG LYS A 101 11.401 12.132 7.498 1.00 0.00 C ATOM 1574 CD LYS A 101 11.674 12.342 8.978 1.00 0.00 C ATOM 1575 CE LYS A 101 10.727 11.523 9.841 1.00 0.00 C ATOM 1576 NZ LYS A 101 11.072 11.618 11.287 1.00 0.00 N ATOM 0 H LYS A 101 9.675 10.015 5.782 1.00 0.00 H new ATOM 0 HA LYS A 101 12.086 11.404 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.923 10.048 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.641 10.390 7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.020 12.812 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.362 12.380 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.704 12.065 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.568 13.399 9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.705 11.869 9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.760 10.480 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.403 11.046 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.038 11.264 11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.015 12.610 11.593 1.00 0.00 H new ATOM 1590 N LEU A 102 13.010 9.264 3.934 1.00 0.00 N ATOM 1591 CA LEU A 102 13.892 8.202 3.463 1.00 0.00 C ATOM 1592 C LEU A 102 15.088 8.779 2.714 1.00 0.00 C ATOM 1593 O LEU A 102 14.997 9.095 1.527 1.00 0.00 O ATOM 1594 CB LEU A 102 13.124 7.239 2.557 1.00 0.00 C ATOM 1595 CG LEU A 102 11.757 6.782 3.068 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.828 6.471 1.904 1.00 0.00 C ATOM 1597 CD2 LEU A 102 11.905 5.568 3.974 1.00 0.00 C ATOM 0 H LEU A 102 12.727 9.927 3.213 1.00 0.00 H new ATOM 0 HA LEU A 102 14.260 7.657 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.986 7.717 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.742 6.356 2.392 1.00 0.00 H new ATOM 0 HG LEU A 102 11.318 7.593 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.860 6.147 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.696 7.365 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.261 5.677 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.922 5.257 4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.365 4.752 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.534 5.825 4.827 1.00 0.00 H new TER 1609 LEU A 102