USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 787 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 15 SER OG : rot -155:sc= -0.0011 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0313 K(o=0.65,f=-0.019) USER MOD Set 1.3: A 56 SER OG : rot -180:sc= 0.727 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= -0.0185 F(o=-0.25,f=0.65) USER MOD Set 1.5: A 89 MET CE :methyl 155:sc= -0.0288 (180deg=-0.221) USER MOD Set 1.6: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 TYR OH : rot 90:sc= 1.42 USER MOD Set 2.2: A 40 SER OG : rot -45:sc= 1.44 USER MOD Set 2.3: A 53 ASN : amide:sc= -2.47 K(o=0.4,f=-0.98!) USER MOD Set 3.1: A 10 ASN :FLIP amide:sc= -0.13 F(o=-0.32,f=0.4) USER MOD Set 3.2: A 62 SER OG : rot -38:sc= 0.53 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.163 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 3 MET CE :methyl 157:sc= -0.173 (180deg=-0.714) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0.765 (180deg=0.656!) USER MOD Single : A 7 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 12 TYR OH : rot -128:sc= 0.739 USER MOD Single : A 18 TYR OH : rot -73:sc= 0.0137 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 95:sc= 0.474 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0355 USER MOD Single : A 31 SER OG : rot 84:sc= 0.437 USER MOD Single : A 33 MET CE :methyl -112:sc= -3.07! (180deg=-5.43!) USER MOD Single : A 36 MET CE :methyl -179:sc= -0.673 (180deg=-0.686) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 151:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.779 X(o=-0.78,f=-0.3) USER MOD Single : A 60 THR OG1 : rot 18:sc= 0.98 USER MOD Single : A 61 THR OG1 : rot 157:sc= -1.69! USER MOD Single : A 66 SER OG : rot -41:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= 1.39 (180deg=0.518) USER MOD Single : A 76 CYS SG : rot 180:sc= -1.84 USER MOD Single : A 90 THR OG1 : rot 140:sc= 1.51 USER MOD Single : A 97 GLN :FLIP amide:sc= -0.115 F(o=-2.1!,f=-0.12) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 158:sc= -0.421 (180deg=-0.974) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.859 0.725 -1.424 1.00 0.00 N ATOM 2 CA GLY A 1 -2.182 -0.080 -2.419 1.00 0.00 C ATOM 3 C GLY A 1 -2.324 0.518 -3.787 1.00 0.00 C ATOM 4 O GLY A 1 -2.919 1.587 -3.933 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.157 1.148 -0.783 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.396 1.480 -1.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.510 0.126 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.126 -0.166 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.593 -1.089 -2.416 1.00 0.00 H new ATOM 8 N HIS A 2 -1.783 -0.173 -4.786 1.00 0.00 N ATOM 9 CA HIS A 2 -1.833 0.226 -6.202 1.00 0.00 C ATOM 10 C HIS A 2 -0.942 1.373 -6.596 1.00 0.00 C ATOM 11 O HIS A 2 -0.617 2.264 -5.801 1.00 0.00 O ATOM 12 CB HIS A 2 -3.250 0.416 -6.762 1.00 0.00 C ATOM 13 CG HIS A 2 -3.883 -0.848 -7.238 1.00 0.00 C ATOM 14 ND1 HIS A 2 -4.824 -0.892 -8.242 1.00 0.00 N ATOM 15 CD2 HIS A 2 -3.698 -2.124 -6.849 1.00 0.00 C ATOM 16 CE1 HIS A 2 -5.185 -2.141 -8.441 1.00 0.00 C ATOM 17 NE2 HIS A 2 -4.515 -2.904 -7.610 1.00 0.00 N ATOM 0 H HIS A 2 -1.283 -1.050 -4.637 1.00 0.00 H new ATOM 0 HA HIS A 2 -1.408 -0.655 -6.683 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -3.880 0.858 -5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -3.212 1.126 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -3.026 -2.466 -6.076 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -5.910 -2.481 -9.166 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -4.593 -3.919 -7.544 1.00 0.00 H new ATOM 25 N MET A 3 -0.531 1.290 -7.827 1.00 0.00 N ATOM 26 CA MET A 3 0.277 2.250 -8.534 1.00 0.00 C ATOM 27 C MET A 3 0.371 1.713 -9.933 1.00 0.00 C ATOM 28 O MET A 3 1.220 0.859 -10.217 1.00 0.00 O ATOM 29 CB MET A 3 1.688 2.364 -7.945 1.00 0.00 C ATOM 30 CG MET A 3 2.565 3.405 -8.632 1.00 0.00 C ATOM 31 SD MET A 3 4.278 3.372 -8.059 1.00 0.00 S ATOM 32 CE MET A 3 4.794 1.761 -8.662 1.00 0.00 C ATOM 0 H MET A 3 -0.769 0.488 -8.411 1.00 0.00 H new ATOM 0 HA MET A 3 -0.165 3.245 -8.475 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.610 2.612 -6.886 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.177 1.392 -8.010 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.544 3.236 -9.709 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.148 4.397 -8.457 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.879 1.742 -8.765 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.483 0.991 -7.956 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.334 1.571 -9.632 1.00 0.00 H new ATOM 42 N GLU A 4 -0.536 2.110 -10.778 1.00 0.00 N ATOM 43 CA GLU A 4 -0.600 1.567 -12.071 1.00 0.00 C ATOM 44 C GLU A 4 0.361 2.265 -12.986 1.00 0.00 C ATOM 45 O GLU A 4 0.263 3.489 -13.200 1.00 0.00 O ATOM 46 CB GLU A 4 -1.980 1.715 -12.643 1.00 0.00 C ATOM 47 CG GLU A 4 -2.159 0.928 -13.901 1.00 0.00 C ATOM 48 CD GLU A 4 -3.342 1.366 -14.703 1.00 0.00 C ATOM 49 OE1 GLU A 4 -4.502 1.068 -14.322 1.00 0.00 O ATOM 50 OE2 GLU A 4 -3.141 2.056 -15.722 1.00 0.00 O ATOM 0 H GLU A 4 -1.242 2.818 -10.575 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.342 0.511 -11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.714 1.389 -11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.177 2.768 -12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.260 1.019 -14.511 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.268 -0.127 -13.650 1.00 0.00 H new ATOM 57 N GLY A 5 1.296 1.521 -13.491 1.00 0.00 N ATOM 58 CA GLY A 5 2.123 2.036 -14.512 1.00 0.00 C ATOM 59 C GLY A 5 1.387 1.869 -15.800 1.00 0.00 C ATOM 60 O GLY A 5 0.719 2.795 -16.272 1.00 0.00 O ATOM 0 H GLY A 5 1.497 0.562 -13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.349 3.087 -14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.075 1.506 -14.541 1.00 0.00 H new ATOM 64 N LYS A 6 1.426 0.661 -16.310 1.00 0.00 N ATOM 65 CA LYS A 6 0.719 0.262 -17.501 1.00 0.00 C ATOM 66 C LYS A 6 1.157 -1.134 -17.840 1.00 0.00 C ATOM 67 O LYS A 6 2.320 -1.357 -18.144 1.00 0.00 O ATOM 68 CB LYS A 6 0.999 1.210 -18.691 1.00 0.00 C ATOM 69 CG LYS A 6 0.130 0.957 -19.909 1.00 0.00 C ATOM 70 CD LYS A 6 -1.383 1.076 -19.624 1.00 0.00 C ATOM 71 CE LYS A 6 -1.851 2.492 -19.225 1.00 0.00 C ATOM 72 NZ LYS A 6 -1.624 2.841 -17.794 1.00 0.00 N ATOM 0 H LYS A 6 1.969 -0.095 -15.893 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.354 0.306 -17.313 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.853 2.239 -18.363 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.046 1.113 -18.979 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.401 1.666 -20.692 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.341 -0.040 -20.295 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.933 0.762 -20.512 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.645 0.382 -18.825 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.334 3.221 -19.849 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.915 2.584 -19.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.589 3.875 -17.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.401 2.461 -17.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.723 2.431 -17.475 1.00 0.00 H new ATOM 86 N ASN A 7 0.267 -2.068 -17.738 1.00 0.00 N ATOM 87 CA ASN A 7 0.598 -3.435 -18.037 1.00 0.00 C ATOM 88 C ASN A 7 -0.074 -3.853 -19.307 1.00 0.00 C ATOM 89 O ASN A 7 0.398 -4.745 -20.013 1.00 0.00 O ATOM 90 CB ASN A 7 0.240 -4.390 -16.874 1.00 0.00 C ATOM 91 CG ASN A 7 -1.236 -4.419 -16.527 1.00 0.00 C ATOM 92 OD1 ASN A 7 -1.705 -3.669 -15.670 1.00 0.00 O ATOM 93 ND2 ASN A 7 -1.968 -5.266 -17.188 1.00 0.00 N ATOM 0 H ASN A 7 -0.699 -1.914 -17.449 1.00 0.00 H new ATOM 0 HA ASN A 7 1.678 -3.499 -18.169 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.561 -5.399 -17.135 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.804 -4.095 -15.989 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.970 -5.327 -17.004 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.541 -5.870 -17.890 1.00 0.00 H new ATOM 100 N LYS A 8 -1.161 -3.199 -19.623 1.00 0.00 N ATOM 101 CA LYS A 8 -1.908 -3.513 -20.773 1.00 0.00 C ATOM 102 C LYS A 8 -1.613 -2.513 -21.859 1.00 0.00 C ATOM 103 O LYS A 8 -2.096 -1.396 -21.833 1.00 0.00 O ATOM 104 CB LYS A 8 -3.398 -3.512 -20.444 1.00 0.00 C ATOM 105 CG LYS A 8 -4.283 -3.870 -21.618 1.00 0.00 C ATOM 106 CD LYS A 8 -5.758 -3.697 -21.294 1.00 0.00 C ATOM 107 CE LYS A 8 -6.224 -4.638 -20.201 1.00 0.00 C ATOM 108 NZ LYS A 8 -7.629 -4.404 -19.850 1.00 0.00 N ATOM 0 H LYS A 8 -1.541 -2.429 -19.072 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.629 -4.507 -21.122 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.582 -4.218 -19.634 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.679 -2.525 -20.077 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.024 -3.244 -22.472 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.095 -4.903 -21.912 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.941 -2.668 -20.986 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.348 -3.870 -22.194 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.097 -5.670 -20.530 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.601 -4.506 -19.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.914 -5.065 -19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.745 -3.427 -19.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.226 -4.554 -20.688 1.00 0.00 H new ATOM 122 N PHE A 9 -0.763 -2.877 -22.751 1.00 0.00 N ATOM 123 CA PHE A 9 -0.516 -2.068 -23.902 1.00 0.00 C ATOM 124 C PHE A 9 -1.364 -2.585 -25.002 1.00 0.00 C ATOM 125 O PHE A 9 -1.256 -3.753 -25.387 1.00 0.00 O ATOM 126 CB PHE A 9 0.964 -2.044 -24.305 1.00 0.00 C ATOM 127 CG PHE A 9 1.816 -1.189 -23.415 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.274 -1.656 -22.194 1.00 0.00 C ATOM 129 CD2 PHE A 9 2.149 0.101 -23.802 1.00 0.00 C ATOM 130 CE1 PHE A 9 3.050 -0.854 -21.380 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.922 0.907 -22.992 1.00 0.00 C ATOM 132 CZ PHE A 9 3.373 0.429 -21.779 1.00 0.00 C ATOM 0 H PHE A 9 -0.219 -3.739 -22.709 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.769 -1.033 -23.673 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.351 -3.063 -24.295 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.047 -1.682 -25.330 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.022 -2.657 -21.875 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.798 0.480 -24.751 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.404 -1.230 -20.432 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.173 1.909 -23.307 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.978 1.057 -21.142 1.00 0.00 H new ATOM 142 N ASN A 10 -2.241 -1.765 -25.476 1.00 0.00 N ATOM 143 CA ASN A 10 -3.141 -2.175 -26.512 1.00 0.00 C ATOM 144 C ASN A 10 -2.557 -1.780 -27.823 1.00 0.00 C ATOM 145 O ASN A 10 -1.440 -1.243 -27.873 1.00 0.00 O ATOM 146 CB ASN A 10 -4.534 -1.564 -26.318 1.00 0.00 C ATOM 147 CG ASN A 10 -5.222 -2.101 -25.083 1.00 0.00 C ATOM 148 OD1 ASN A 10 -4.929 -1.514 -23.953 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -5.978 -3.068 -25.153 1.00 0.00 N flip ATOM 0 H ASN A 10 -2.357 -0.801 -25.164 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.269 -3.257 -26.477 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.447 -0.480 -26.242 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.147 -1.774 -27.195 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.178 -3.494 -26.058 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.405 -3.444 -24.306 1.00 0.00 H new ATOM 156 N THR A 11 -3.246 -2.028 -28.870 1.00 0.00 N ATOM 157 CA THR A 11 -2.745 -1.681 -30.137 1.00 0.00 C ATOM 158 C THR A 11 -3.876 -1.095 -31.006 1.00 0.00 C ATOM 159 O THR A 11 -4.988 -1.664 -31.105 1.00 0.00 O ATOM 160 CB THR A 11 -2.000 -2.902 -30.774 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.326 -2.538 -31.974 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.930 -4.085 -31.028 1.00 0.00 C ATOM 0 H THR A 11 -4.164 -2.473 -28.872 1.00 0.00 H new ATOM 0 HA THR A 11 -1.997 -0.893 -30.053 1.00 0.00 H new ATOM 0 HB THR A 11 -1.257 -3.218 -30.042 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.870 -3.323 -32.344 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.364 -4.905 -31.470 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.367 -4.413 -30.085 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.724 -3.783 -31.711 1.00 0.00 H new ATOM 170 N TYR A 12 -3.619 0.063 -31.560 1.00 0.00 N ATOM 171 CA TYR A 12 -4.580 0.786 -32.359 1.00 0.00 C ATOM 172 C TYR A 12 -4.028 1.073 -33.723 1.00 0.00 C ATOM 173 O TYR A 12 -2.835 0.973 -33.943 1.00 0.00 O ATOM 174 CB TYR A 12 -4.934 2.116 -31.720 1.00 0.00 C ATOM 175 CG TYR A 12 -5.774 2.069 -30.473 1.00 0.00 C ATOM 176 CD1 TYR A 12 -7.164 2.125 -30.539 1.00 0.00 C ATOM 177 CD2 TYR A 12 -5.178 2.046 -29.226 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.923 2.165 -29.385 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.925 2.067 -28.077 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.294 2.133 -28.158 1.00 0.00 C ATOM 181 OH TYR A 12 -8.032 2.200 -27.004 1.00 0.00 O ATOM 0 H TYR A 12 -2.722 0.539 -31.468 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.467 0.157 -32.431 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.006 2.637 -31.485 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.459 2.719 -32.461 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.654 2.137 -31.502 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.101 2.011 -29.156 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.000 2.221 -29.443 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.439 2.032 -27.113 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.680 2.913 -26.432 1.00 0.00 H new ATOM 191 N VAL A 13 -4.904 1.453 -34.596 1.00 0.00 N ATOM 192 CA VAL A 13 -4.613 1.817 -35.956 1.00 0.00 C ATOM 193 C VAL A 13 -5.299 3.141 -36.276 1.00 0.00 C ATOM 194 O VAL A 13 -6.424 3.380 -35.856 1.00 0.00 O ATOM 195 CB VAL A 13 -5.069 0.700 -36.963 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.123 1.213 -38.374 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.097 -0.438 -36.930 1.00 0.00 C ATOM 0 H VAL A 13 -5.897 1.523 -34.373 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.534 1.927 -36.065 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.065 0.378 -36.658 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.442 0.412 -39.040 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.832 2.039 -38.434 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.134 1.561 -38.673 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.417 -1.210 -37.630 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.107 -0.079 -37.213 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.058 -0.854 -35.923 1.00 0.00 H new ATOM 207 N VAL A 14 -4.620 3.994 -36.972 1.00 0.00 N ATOM 208 CA VAL A 14 -5.173 5.244 -37.373 1.00 0.00 C ATOM 209 C VAL A 14 -5.170 5.339 -38.877 1.00 0.00 C ATOM 210 O VAL A 14 -4.196 4.991 -39.524 1.00 0.00 O ATOM 211 CB VAL A 14 -4.446 6.453 -36.727 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.948 6.424 -36.994 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.058 7.780 -37.185 1.00 0.00 C ATOM 0 H VAL A 14 -3.660 3.841 -37.280 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.201 5.286 -37.014 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.586 6.370 -35.649 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.478 7.288 -36.524 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.522 5.510 -36.580 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.769 6.454 -38.069 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.526 8.607 -36.715 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.975 7.864 -38.269 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.109 7.814 -36.898 1.00 0.00 H new ATOM 223 N SER A 15 -6.261 5.745 -39.400 1.00 0.00 N ATOM 224 CA SER A 15 -6.443 5.905 -40.802 1.00 0.00 C ATOM 225 C SER A 15 -6.520 7.391 -41.127 1.00 0.00 C ATOM 226 O SER A 15 -7.457 8.066 -40.711 1.00 0.00 O ATOM 227 CB SER A 15 -7.720 5.164 -41.201 1.00 0.00 C ATOM 228 OG SER A 15 -7.577 3.775 -40.955 1.00 0.00 O ATOM 0 H SER A 15 -7.086 5.986 -38.851 1.00 0.00 H new ATOM 0 HA SER A 15 -5.608 5.488 -41.365 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.567 5.555 -40.638 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.933 5.334 -42.256 1.00 0.00 H new ATOM 0 HG SER A 15 -8.180 3.275 -41.544 1.00 0.00 H new ATOM 234 N PHE A 16 -5.498 7.912 -41.781 1.00 0.00 N ATOM 235 CA PHE A 16 -5.466 9.317 -42.138 1.00 0.00 C ATOM 236 C PHE A 16 -6.017 9.587 -43.522 1.00 0.00 C ATOM 237 O PHE A 16 -5.769 8.836 -44.474 1.00 0.00 O ATOM 238 CB PHE A 16 -4.059 9.912 -42.032 1.00 0.00 C ATOM 239 CG PHE A 16 -3.616 10.211 -40.638 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.880 11.446 -40.078 1.00 0.00 C ATOM 241 CD2 PHE A 16 -2.935 9.278 -39.892 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.474 11.740 -38.799 1.00 0.00 C ATOM 243 CE2 PHE A 16 -2.526 9.571 -38.611 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.798 10.803 -38.064 1.00 0.00 C ATOM 0 H PHE A 16 -4.678 7.382 -42.076 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.114 9.806 -41.410 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.350 9.218 -42.484 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.022 10.831 -42.616 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.412 12.190 -40.653 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.719 8.308 -40.315 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.688 12.709 -38.373 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.990 8.832 -38.034 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.479 11.031 -37.058 1.00 0.00 H new ATOM 254 N ASP A 17 -6.754 10.662 -43.618 1.00 0.00 N ATOM 255 CA ASP A 17 -7.297 11.157 -44.865 1.00 0.00 C ATOM 256 C ASP A 17 -6.899 12.598 -45.024 1.00 0.00 C ATOM 257 O ASP A 17 -7.160 13.425 -44.131 1.00 0.00 O ATOM 258 CB ASP A 17 -8.830 11.059 -44.917 1.00 0.00 C ATOM 259 CG ASP A 17 -9.354 9.656 -45.014 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.200 9.018 -46.083 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.943 9.167 -44.039 1.00 0.00 O ATOM 0 H ASP A 17 -7.002 11.236 -42.812 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.898 10.540 -45.670 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.243 11.528 -44.024 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.190 11.629 -45.773 1.00 0.00 H new ATOM 266 N TYR A 18 -6.270 12.907 -46.122 1.00 0.00 N ATOM 267 CA TYR A 18 -5.830 14.252 -46.415 1.00 0.00 C ATOM 268 C TYR A 18 -5.633 14.380 -47.916 1.00 0.00 C ATOM 269 O TYR A 18 -5.240 13.401 -48.573 1.00 0.00 O ATOM 270 CB TYR A 18 -4.503 14.589 -45.656 1.00 0.00 C ATOM 271 CG TYR A 18 -3.320 13.690 -46.007 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.134 12.471 -45.367 1.00 0.00 C ATOM 273 CD2 TYR A 18 -2.409 14.058 -46.994 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.075 11.644 -45.699 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.356 13.238 -47.338 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.189 12.032 -46.691 1.00 0.00 C ATOM 277 OH TYR A 18 -0.144 11.206 -47.048 1.00 0.00 O ATOM 0 H TYR A 18 -6.043 12.229 -46.850 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.586 14.961 -46.078 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.232 15.623 -45.869 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.687 14.522 -44.584 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.827 12.164 -44.598 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.530 15.005 -47.500 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.940 10.702 -45.188 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.665 13.539 -48.111 1.00 0.00 H new ATOM 0 HH TYR A 18 0.538 11.218 -46.344 1.00 0.00 H new ATOM 287 N PRO A 19 -5.993 15.524 -48.504 1.00 0.00 N ATOM 288 CA PRO A 19 -5.694 15.794 -49.902 1.00 0.00 C ATOM 289 C PRO A 19 -4.179 15.865 -50.122 1.00 0.00 C ATOM 290 O PRO A 19 -3.420 16.242 -49.209 1.00 0.00 O ATOM 291 CB PRO A 19 -6.340 17.150 -50.187 1.00 0.00 C ATOM 292 CG PRO A 19 -6.703 17.727 -48.863 1.00 0.00 C ATOM 293 CD PRO A 19 -6.776 16.600 -47.877 1.00 0.00 C ATOM 0 HA PRO A 19 -6.071 15.012 -50.562 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.651 17.805 -50.720 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.223 17.036 -50.816 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.961 18.461 -48.550 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.660 18.246 -48.922 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.358 16.887 -46.912 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.806 16.292 -47.699 1.00 0.00 H new ATOM 301 N SER A 20 -3.750 15.573 -51.329 1.00 0.00 N ATOM 302 CA SER A 20 -2.335 15.463 -51.661 1.00 0.00 C ATOM 303 C SER A 20 -1.622 16.836 -51.668 1.00 0.00 C ATOM 304 O SER A 20 -0.415 16.921 -51.877 1.00 0.00 O ATOM 305 CB SER A 20 -2.209 14.780 -53.013 1.00 0.00 C ATOM 306 OG SER A 20 -3.004 13.590 -53.047 1.00 0.00 O ATOM 0 H SER A 20 -4.373 15.403 -52.119 1.00 0.00 H new ATOM 0 HA SER A 20 -1.842 14.870 -50.891 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.528 15.461 -53.802 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.165 14.533 -53.207 1.00 0.00 H new ATOM 0 HG SER A 20 -2.914 13.162 -53.924 1.00 0.00 H new ATOM 312 N SER A 21 -2.374 17.887 -51.434 1.00 0.00 N ATOM 313 CA SER A 21 -1.833 19.220 -51.357 1.00 0.00 C ATOM 314 C SER A 21 -1.154 19.457 -49.997 1.00 0.00 C ATOM 315 O SER A 21 -0.447 20.439 -49.811 1.00 0.00 O ATOM 316 CB SER A 21 -2.960 20.216 -51.559 1.00 0.00 C ATOM 317 OG SER A 21 -3.676 19.922 -52.752 1.00 0.00 O ATOM 0 H SER A 21 -3.383 17.839 -51.291 1.00 0.00 H new ATOM 0 HA SER A 21 -1.079 19.348 -52.134 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.637 20.187 -50.705 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.555 21.227 -51.610 1.00 0.00 H new ATOM 0 HG SER A 21 -4.400 20.572 -52.867 1.00 0.00 H new ATOM 323 N TYR A 22 -1.376 18.561 -49.044 1.00 0.00 N ATOM 324 CA TYR A 22 -0.761 18.719 -47.727 1.00 0.00 C ATOM 325 C TYR A 22 0.303 17.677 -47.470 1.00 0.00 C ATOM 326 O TYR A 22 0.749 17.524 -46.337 1.00 0.00 O ATOM 327 CB TYR A 22 -1.784 18.640 -46.602 1.00 0.00 C ATOM 328 CG TYR A 22 -2.865 19.677 -46.602 1.00 0.00 C ATOM 329 CD1 TYR A 22 -4.025 19.482 -47.308 1.00 0.00 C ATOM 330 CD2 TYR A 22 -2.731 20.833 -45.864 1.00 0.00 C ATOM 331 CE1 TYR A 22 -5.036 20.416 -47.290 1.00 0.00 C ATOM 332 CE2 TYR A 22 -3.738 21.775 -45.829 1.00 0.00 C ATOM 333 CZ TYR A 22 -4.890 21.560 -46.547 1.00 0.00 C ATOM 334 OH TYR A 22 -5.905 22.490 -46.512 1.00 0.00 O ATOM 0 H TYR A 22 -1.963 17.734 -49.151 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.308 19.710 -47.736 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.255 17.658 -46.639 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.252 18.703 -45.653 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.147 18.579 -47.888 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.823 21.004 -45.304 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.939 20.249 -47.858 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.622 22.674 -45.242 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.642 23.240 -45.939 1.00 0.00 H new ATOM 344 N SER A 23 0.746 17.013 -48.495 1.00 0.00 N ATOM 345 CA SER A 23 1.724 15.958 -48.347 1.00 0.00 C ATOM 346 C SER A 23 3.041 16.503 -47.791 1.00 0.00 C ATOM 347 O SER A 23 3.581 15.965 -46.835 1.00 0.00 O ATOM 348 CB SER A 23 1.933 15.278 -49.682 1.00 0.00 C ATOM 349 OG SER A 23 0.696 14.770 -50.172 1.00 0.00 O ATOM 0 H SER A 23 0.447 17.180 -49.456 1.00 0.00 H new ATOM 0 HA SER A 23 1.352 15.225 -47.631 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.353 15.985 -50.397 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.652 14.466 -49.576 1.00 0.00 H new ATOM 0 HG SER A 23 0.295 15.421 -50.785 1.00 0.00 H new ATOM 355 N SER A 24 3.466 17.639 -48.306 1.00 0.00 N ATOM 356 CA SER A 24 4.724 18.267 -47.927 1.00 0.00 C ATOM 357 C SER A 24 4.680 18.781 -46.480 1.00 0.00 C ATOM 358 O SER A 24 5.715 18.999 -45.831 1.00 0.00 O ATOM 359 CB SER A 24 4.999 19.392 -48.912 1.00 0.00 C ATOM 360 OG SER A 24 3.826 20.185 -49.078 1.00 0.00 O ATOM 0 H SER A 24 2.944 18.162 -49.009 1.00 0.00 H new ATOM 0 HA SER A 24 5.532 17.537 -47.965 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.820 20.011 -48.551 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.309 18.980 -49.872 1.00 0.00 H new ATOM 0 HG SER A 24 4.008 20.910 -49.712 1.00 0.00 H new ATOM 366 N VAL A 25 3.479 18.932 -45.989 1.00 0.00 N ATOM 367 CA VAL A 25 3.211 19.395 -44.647 1.00 0.00 C ATOM 368 C VAL A 25 3.114 18.209 -43.708 1.00 0.00 C ATOM 369 O VAL A 25 3.609 18.225 -42.572 1.00 0.00 O ATOM 370 CB VAL A 25 1.872 20.164 -44.607 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.483 20.494 -43.188 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.941 21.414 -45.458 1.00 0.00 C ATOM 0 H VAL A 25 2.634 18.732 -46.524 1.00 0.00 H new ATOM 0 HA VAL A 25 4.023 20.054 -44.338 1.00 0.00 H new ATOM 0 HB VAL A 25 1.099 19.518 -45.024 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.537 21.035 -43.187 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.374 19.572 -42.617 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.256 21.114 -42.733 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.986 21.938 -45.413 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.730 22.066 -45.084 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.156 21.140 -46.491 1.00 0.00 H new ATOM 382 N PHE A 26 2.536 17.163 -44.210 1.00 0.00 N ATOM 383 CA PHE A 26 2.267 15.988 -43.454 1.00 0.00 C ATOM 384 C PHE A 26 3.546 15.241 -43.127 1.00 0.00 C ATOM 385 O PHE A 26 3.595 14.459 -42.183 1.00 0.00 O ATOM 386 CB PHE A 26 1.265 15.120 -44.213 1.00 0.00 C ATOM 387 CG PHE A 26 1.333 13.666 -43.848 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.709 13.196 -42.707 1.00 0.00 C ATOM 389 CD2 PHE A 26 2.086 12.786 -44.612 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.839 11.877 -42.330 1.00 0.00 C ATOM 391 CE2 PHE A 26 2.208 11.466 -44.246 1.00 0.00 C ATOM 392 CZ PHE A 26 1.588 11.014 -43.101 1.00 0.00 C ATOM 0 H PHE A 26 2.232 17.105 -45.182 1.00 0.00 H new ATOM 0 HA PHE A 26 1.824 16.265 -42.497 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.258 15.488 -44.019 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.442 15.226 -45.283 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.115 13.868 -42.106 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.581 13.141 -45.503 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.355 11.520 -41.433 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.787 10.786 -44.853 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.689 9.980 -42.807 1.00 0.00 H new ATOM 402 N LEU A 27 4.592 15.519 -43.864 1.00 0.00 N ATOM 403 CA LEU A 27 5.873 14.871 -43.627 1.00 0.00 C ATOM 404 C LEU A 27 6.382 15.237 -42.233 1.00 0.00 C ATOM 405 O LEU A 27 7.135 14.499 -41.608 1.00 0.00 O ATOM 406 CB LEU A 27 6.901 15.273 -44.685 1.00 0.00 C ATOM 407 CG LEU A 27 6.451 15.156 -46.140 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.595 15.415 -47.088 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.778 13.819 -46.419 1.00 0.00 C ATOM 0 H LEU A 27 4.590 16.188 -44.634 1.00 0.00 H new ATOM 0 HA LEU A 27 5.731 13.792 -43.692 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.198 16.305 -44.500 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.790 14.657 -44.551 1.00 0.00 H new ATOM 0 HG LEU A 27 5.701 15.928 -46.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.243 15.324 -48.116 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.983 16.420 -46.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.387 14.687 -46.910 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.473 13.776 -47.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.478 13.009 -46.212 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.901 13.713 -45.781 1.00 0.00 H new ATOM 421 N ARG A 28 5.897 16.346 -41.729 1.00 0.00 N ATOM 422 CA ARG A 28 6.264 16.782 -40.409 1.00 0.00 C ATOM 423 C ARG A 28 5.485 15.931 -39.423 1.00 0.00 C ATOM 424 O ARG A 28 6.044 15.335 -38.520 1.00 0.00 O ATOM 425 CB ARG A 28 5.933 18.269 -40.210 1.00 0.00 C ATOM 426 CG ARG A 28 6.414 19.178 -41.342 1.00 0.00 C ATOM 427 CD ARG A 28 7.888 18.984 -41.665 1.00 0.00 C ATOM 428 NE ARG A 28 8.773 19.325 -40.539 1.00 0.00 N ATOM 429 CZ ARG A 28 9.931 19.996 -40.645 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.325 20.466 -41.821 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.690 20.202 -39.569 1.00 0.00 N ATOM 0 H ARG A 28 5.246 16.962 -42.216 1.00 0.00 H new ATOM 0 HA ARG A 28 7.337 16.669 -40.258 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.853 18.378 -40.106 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.379 18.606 -39.274 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.822 18.983 -42.236 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.241 20.218 -41.066 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.058 17.946 -41.952 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.150 19.600 -42.525 1.00 0.00 H new ATOM 0 HE ARG A 28 8.484 19.029 -39.607 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.748 20.318 -42.649 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.205 20.975 -41.898 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.392 19.849 -38.660 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.569 20.712 -39.655 1.00 0.00 H new ATOM 445 N LEU A 29 4.193 15.800 -39.696 1.00 0.00 N ATOM 446 CA LEU A 29 3.266 15.022 -38.878 1.00 0.00 C ATOM 447 C LEU A 29 3.702 13.548 -38.830 1.00 0.00 C ATOM 448 O LEU A 29 3.579 12.895 -37.793 1.00 0.00 O ATOM 449 CB LEU A 29 1.818 15.179 -39.450 1.00 0.00 C ATOM 450 CG LEU A 29 0.607 14.622 -38.635 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.450 13.117 -38.783 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.715 15.002 -37.158 1.00 0.00 C ATOM 0 H LEU A 29 3.751 16.238 -40.504 1.00 0.00 H new ATOM 0 HA LEU A 29 3.274 15.395 -37.854 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.643 16.243 -39.610 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.800 14.702 -40.430 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.287 15.085 -39.053 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.405 12.781 -38.197 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.291 12.869 -39.832 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.352 12.620 -38.426 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.141 14.601 -36.616 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.634 14.589 -36.742 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.729 16.088 -37.062 1.00 0.00 H new ATOM 464 N ARG A 30 4.260 13.042 -39.933 1.00 0.00 N ATOM 465 CA ARG A 30 4.681 11.641 -39.978 1.00 0.00 C ATOM 466 C ARG A 30 5.826 11.429 -39.015 1.00 0.00 C ATOM 467 O ARG A 30 5.839 10.475 -38.239 1.00 0.00 O ATOM 468 CB ARG A 30 5.017 11.169 -41.416 1.00 0.00 C ATOM 469 CG ARG A 30 6.371 11.584 -41.948 1.00 0.00 C ATOM 470 CD ARG A 30 6.544 11.272 -43.433 1.00 0.00 C ATOM 471 NE ARG A 30 6.499 9.839 -43.763 1.00 0.00 N ATOM 472 CZ ARG A 30 6.987 9.313 -44.911 1.00 0.00 C ATOM 473 NH1 ARG A 30 7.717 10.064 -45.738 1.00 0.00 N ATOM 474 NH2 ARG A 30 6.793 8.035 -45.193 1.00 0.00 N ATOM 0 H ARG A 30 4.428 13.569 -40.790 1.00 0.00 H new ATOM 0 HA ARG A 30 3.845 11.017 -39.662 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.955 10.081 -41.444 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.251 11.550 -42.091 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.507 12.654 -41.788 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.151 11.075 -41.381 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.763 11.786 -43.993 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.498 11.680 -43.769 1.00 0.00 H new ATOM 0 HE ARG A 30 6.075 9.204 -43.087 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.909 11.039 -45.506 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.083 9.663 -46.602 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.274 7.443 -44.545 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.162 7.642 -46.059 1.00 0.00 H new ATOM 488 N SER A 31 6.718 12.380 -39.006 1.00 0.00 N ATOM 489 CA SER A 31 7.849 12.369 -38.121 1.00 0.00 C ATOM 490 C SER A 31 7.397 12.511 -36.674 1.00 0.00 C ATOM 491 O SER A 31 8.004 11.950 -35.781 1.00 0.00 O ATOM 492 CB SER A 31 8.832 13.454 -38.527 1.00 0.00 C ATOM 493 OG SER A 31 9.249 13.230 -39.873 1.00 0.00 O ATOM 0 H SER A 31 6.680 13.194 -39.620 1.00 0.00 H new ATOM 0 HA SER A 31 8.363 11.411 -38.200 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.366 14.435 -38.437 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.695 13.448 -37.861 1.00 0.00 H new ATOM 0 HG SER A 31 8.594 13.622 -40.488 1.00 0.00 H new ATOM 499 N LEU A 32 6.284 13.199 -36.473 1.00 0.00 N ATOM 500 CA LEU A 32 5.691 13.350 -35.150 1.00 0.00 C ATOM 501 C LEU A 32 5.113 12.034 -34.669 1.00 0.00 C ATOM 502 O LEU A 32 5.223 11.693 -33.501 1.00 0.00 O ATOM 503 CB LEU A 32 4.605 14.442 -35.128 1.00 0.00 C ATOM 504 CG LEU A 32 5.037 15.873 -34.746 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.519 15.912 -33.311 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.118 16.408 -35.668 1.00 0.00 C ATOM 0 H LEU A 32 5.767 13.667 -37.217 1.00 0.00 H new ATOM 0 HA LEU A 32 6.489 13.658 -34.474 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.149 14.482 -36.117 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.828 14.129 -34.431 1.00 0.00 H new ATOM 0 HG LEU A 32 4.162 16.514 -34.854 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.820 16.928 -33.056 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.714 15.595 -32.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.370 15.241 -33.195 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.391 17.418 -35.361 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.995 15.763 -35.613 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.746 16.428 -36.692 1.00 0.00 H new ATOM 518 N MET A 33 4.501 11.301 -35.574 1.00 0.00 N ATOM 519 CA MET A 33 3.935 10.001 -35.266 1.00 0.00 C ATOM 520 C MET A 33 5.003 9.017 -34.849 1.00 0.00 C ATOM 521 O MET A 33 4.858 8.344 -33.846 1.00 0.00 O ATOM 522 CB MET A 33 3.156 9.444 -36.443 1.00 0.00 C ATOM 523 CG MET A 33 1.993 10.297 -36.868 1.00 0.00 C ATOM 524 SD MET A 33 0.881 9.434 -37.979 1.00 0.00 S ATOM 525 CE MET A 33 1.940 9.190 -39.391 1.00 0.00 C ATOM 0 H MET A 33 4.381 11.588 -36.545 1.00 0.00 H new ATOM 0 HA MET A 33 3.250 10.145 -34.430 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.833 9.324 -37.289 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.789 8.451 -36.185 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.441 10.620 -35.985 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.366 11.197 -37.358 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.582 9.796 -40.223 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.958 9.487 -39.138 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.929 8.138 -39.677 1.00 0.00 H new ATOM 535 N TYR A 34 6.070 8.942 -35.613 1.00 0.00 N ATOM 536 CA TYR A 34 7.176 8.031 -35.285 1.00 0.00 C ATOM 537 C TYR A 34 7.994 8.546 -34.106 1.00 0.00 C ATOM 538 O TYR A 34 8.752 7.804 -33.483 1.00 0.00 O ATOM 539 CB TYR A 34 8.044 7.780 -36.504 1.00 0.00 C ATOM 540 CG TYR A 34 7.259 7.152 -37.633 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.685 5.895 -37.486 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.068 7.819 -38.831 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.945 5.335 -38.494 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.329 7.259 -39.849 1.00 0.00 C ATOM 545 CZ TYR A 34 5.769 6.016 -39.672 1.00 0.00 C ATOM 546 OH TYR A 34 5.018 5.444 -40.682 1.00 0.00 O ATOM 0 H TYR A 34 6.208 9.491 -36.462 1.00 0.00 H new ATOM 0 HA TYR A 34 6.747 7.077 -34.980 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.477 8.722 -36.842 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.874 7.128 -36.231 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.824 5.351 -36.563 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.507 8.796 -38.970 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.501 4.359 -38.362 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.191 7.792 -40.778 1.00 0.00 H new ATOM 0 HH TYR A 34 4.079 5.704 -40.578 1.00 0.00 H new ATOM 556 N ASP A 35 7.843 9.831 -33.834 1.00 0.00 N ATOM 557 CA ASP A 35 8.426 10.473 -32.642 1.00 0.00 C ATOM 558 C ASP A 35 7.681 9.958 -31.426 1.00 0.00 C ATOM 559 O ASP A 35 8.241 9.775 -30.343 1.00 0.00 O ATOM 560 CB ASP A 35 8.269 11.992 -32.748 1.00 0.00 C ATOM 561 CG ASP A 35 8.864 12.761 -31.607 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.052 13.142 -31.692 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.156 13.055 -30.638 1.00 0.00 O ATOM 0 H ASP A 35 7.314 10.470 -34.427 1.00 0.00 H new ATOM 0 HA ASP A 35 9.488 10.240 -32.561 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.731 12.328 -33.676 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.208 12.231 -32.816 1.00 0.00 H new ATOM 568 N MET A 36 6.413 9.706 -31.645 1.00 0.00 N ATOM 569 CA MET A 36 5.539 9.106 -30.681 1.00 0.00 C ATOM 570 C MET A 36 5.581 7.589 -30.878 1.00 0.00 C ATOM 571 O MET A 36 6.534 7.068 -31.451 1.00 0.00 O ATOM 572 CB MET A 36 4.117 9.675 -30.840 1.00 0.00 C ATOM 573 CG MET A 36 4.004 11.116 -30.373 1.00 0.00 C ATOM 574 SD MET A 36 2.349 11.843 -30.560 1.00 0.00 S ATOM 575 CE MET A 36 2.221 12.009 -32.338 1.00 0.00 C ATOM 0 H MET A 36 5.952 9.922 -32.529 1.00 0.00 H new ATOM 0 HA MET A 36 5.860 9.334 -29.665 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.821 9.613 -31.887 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.419 9.059 -30.274 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.293 11.168 -29.323 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.718 11.722 -30.931 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.262 12.459 -32.593 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.028 12.644 -32.703 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.295 11.025 -32.802 1.00 0.00 H new ATOM 585 N ASN A 37 4.574 6.889 -30.443 1.00 0.00 N ATOM 586 CA ASN A 37 4.600 5.416 -30.473 1.00 0.00 C ATOM 587 C ASN A 37 4.068 4.800 -31.754 1.00 0.00 C ATOM 588 O ASN A 37 3.993 3.567 -31.876 1.00 0.00 O ATOM 589 CB ASN A 37 3.891 4.817 -29.274 1.00 0.00 C ATOM 590 CG ASN A 37 4.776 4.728 -28.061 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.433 3.715 -27.830 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.823 5.772 -27.291 1.00 0.00 N ATOM 0 H ASN A 37 3.718 7.292 -30.061 1.00 0.00 H new ATOM 0 HA ASN A 37 5.660 5.164 -30.431 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.015 5.421 -29.036 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.531 3.820 -29.530 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.419 5.769 -26.463 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.264 6.596 -27.514 1.00 0.00 H new ATOM 599 N PHE A 38 3.664 5.626 -32.688 1.00 0.00 N ATOM 600 CA PHE A 38 3.133 5.133 -33.954 1.00 0.00 C ATOM 601 C PHE A 38 4.189 4.383 -34.759 1.00 0.00 C ATOM 602 O PHE A 38 5.374 4.699 -34.707 1.00 0.00 O ATOM 603 CB PHE A 38 2.561 6.249 -34.796 1.00 0.00 C ATOM 604 CG PHE A 38 1.447 6.970 -34.135 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.704 8.045 -33.308 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.140 6.571 -34.328 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.691 8.708 -32.688 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.883 7.236 -33.707 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.598 8.309 -32.884 1.00 0.00 C ATOM 0 H PHE A 38 3.689 6.642 -32.604 1.00 0.00 H new ATOM 0 HA PHE A 38 2.331 4.441 -33.697 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.354 6.959 -35.034 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.208 5.837 -35.741 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.724 8.364 -33.151 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.077 5.731 -34.971 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.907 9.547 -32.043 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.906 6.924 -33.859 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.403 8.836 -32.392 1.00 0.00 H new ATOM 619 N SER A 39 3.756 3.396 -35.485 1.00 0.00 N ATOM 620 CA SER A 39 4.629 2.574 -36.280 1.00 0.00 C ATOM 621 C SER A 39 4.059 2.381 -37.691 1.00 0.00 C ATOM 622 O SER A 39 2.868 2.617 -37.932 1.00 0.00 O ATOM 623 CB SER A 39 4.759 1.219 -35.618 1.00 0.00 C ATOM 624 OG SER A 39 5.161 1.339 -34.252 1.00 0.00 O ATOM 0 H SER A 39 2.772 3.132 -35.545 1.00 0.00 H new ATOM 0 HA SER A 39 5.600 3.063 -36.356 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.806 0.693 -35.673 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.487 0.616 -36.161 1.00 0.00 H new ATOM 0 HG SER A 39 5.234 0.447 -33.853 1.00 0.00 H new ATOM 630 N SER A 40 4.913 1.937 -38.594 1.00 0.00 N ATOM 631 CA SER A 40 4.564 1.648 -39.970 1.00 0.00 C ATOM 632 C SER A 40 4.163 0.195 -40.122 1.00 0.00 C ATOM 633 O SER A 40 3.590 -0.200 -41.145 1.00 0.00 O ATOM 634 CB SER A 40 5.781 1.855 -40.818 1.00 0.00 C ATOM 635 OG SER A 40 6.383 3.101 -40.575 1.00 0.00 O ATOM 0 H SER A 40 5.896 1.763 -38.383 1.00 0.00 H new ATOM 0 HA SER A 40 3.740 2.297 -40.266 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.500 1.060 -40.621 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.507 1.783 -41.870 1.00 0.00 H new ATOM 0 HG SER A 40 5.693 3.796 -40.540 1.00 0.00 H new ATOM 641 N ILE A 41 4.522 -0.590 -39.139 1.00 0.00 N ATOM 642 CA ILE A 41 4.268 -2.012 -39.116 1.00 0.00 C ATOM 643 C ILE A 41 3.539 -2.365 -37.833 1.00 0.00 C ATOM 644 O ILE A 41 3.761 -1.732 -36.785 1.00 0.00 O ATOM 645 CB ILE A 41 5.626 -2.854 -39.208 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.148 -3.034 -40.647 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.554 -4.197 -38.510 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.624 -1.784 -41.308 1.00 0.00 C ATOM 0 H ILE A 41 5.011 -0.252 -38.310 1.00 0.00 H new ATOM 0 HA ILE A 41 3.658 -2.265 -39.983 1.00 0.00 H new ATOM 0 HB ILE A 41 6.347 -2.237 -38.671 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.967 -3.754 -40.633 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.353 -3.468 -41.254 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.509 -4.712 -38.613 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.335 -4.046 -37.453 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.766 -4.800 -38.961 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.971 -2.014 -42.315 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.805 -1.066 -41.361 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.444 -1.357 -40.731 1.00 0.00 H new ATOM 660 N VAL A 42 2.666 -3.320 -37.928 1.00 0.00 N ATOM 661 CA VAL A 42 1.999 -3.882 -36.796 1.00 0.00 C ATOM 662 C VAL A 42 1.723 -5.324 -37.147 1.00 0.00 C ATOM 663 O VAL A 42 1.578 -5.655 -38.327 1.00 0.00 O ATOM 664 CB VAL A 42 0.670 -3.134 -36.442 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.368 -3.321 -37.518 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.121 -3.577 -35.090 1.00 0.00 C ATOM 0 H VAL A 42 2.392 -3.740 -38.816 1.00 0.00 H new ATOM 0 HA VAL A 42 2.626 -3.789 -35.909 1.00 0.00 H new ATOM 0 HB VAL A 42 0.908 -2.072 -36.378 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.278 -2.789 -37.242 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.010 -2.927 -38.461 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.588 -4.383 -37.631 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.802 -3.037 -34.877 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.082 -4.648 -35.113 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.854 -3.363 -34.312 1.00 0.00 H new ATOM 676 N ALA A 43 1.759 -6.173 -36.185 1.00 0.00 N ATOM 677 CA ALA A 43 1.450 -7.544 -36.398 1.00 0.00 C ATOM 678 C ALA A 43 -0.032 -7.725 -36.738 1.00 0.00 C ATOM 679 O ALA A 43 -0.901 -7.056 -36.177 1.00 0.00 O ATOM 680 CB ALA A 43 1.835 -8.357 -35.189 1.00 0.00 C ATOM 0 H ALA A 43 2.004 -5.938 -35.223 1.00 0.00 H new ATOM 0 HA ALA A 43 2.028 -7.902 -37.250 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.594 -9.405 -35.364 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.905 -8.256 -35.009 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.285 -7.998 -34.319 1.00 0.00 H new ATOM 686 N ASP A 44 -0.281 -8.623 -37.662 1.00 0.00 N ATOM 687 CA ASP A 44 -1.618 -8.987 -38.124 1.00 0.00 C ATOM 688 C ASP A 44 -2.208 -9.922 -37.070 1.00 0.00 C ATOM 689 O ASP A 44 -1.625 -10.093 -35.988 1.00 0.00 O ATOM 690 CB ASP A 44 -1.464 -9.757 -39.465 1.00 0.00 C ATOM 691 CG ASP A 44 -2.724 -9.884 -40.326 1.00 0.00 C ATOM 692 OD1 ASP A 44 -3.550 -10.745 -40.031 1.00 0.00 O ATOM 693 OD2 ASP A 44 -2.845 -9.179 -41.374 1.00 0.00 O ATOM 0 H ASP A 44 0.459 -9.142 -38.134 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.256 -8.115 -38.270 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.694 -9.262 -40.057 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.099 -10.760 -39.243 1.00 0.00 H new ATOM 698 N GLU A 45 -3.271 -10.588 -37.384 1.00 0.00 N ATOM 699 CA GLU A 45 -3.928 -11.451 -36.421 1.00 0.00 C ATOM 700 C GLU A 45 -3.098 -12.715 -36.229 1.00 0.00 C ATOM 701 O GLU A 45 -3.158 -13.380 -35.196 1.00 0.00 O ATOM 702 CB GLU A 45 -5.343 -11.792 -36.885 1.00 0.00 C ATOM 703 CG GLU A 45 -5.391 -12.637 -38.138 1.00 0.00 C ATOM 704 CD GLU A 45 -6.777 -12.787 -38.676 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.543 -13.600 -38.135 1.00 0.00 O ATOM 706 OE2 GLU A 45 -7.136 -12.100 -39.635 1.00 0.00 O ATOM 0 H GLU A 45 -3.715 -10.559 -38.302 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.009 -10.932 -35.466 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.860 -12.319 -36.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.890 -10.866 -37.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.756 -12.186 -38.901 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.980 -13.623 -37.923 1.00 0.00 H new ATOM 713 N TYR A 46 -2.277 -12.997 -37.226 1.00 0.00 N ATOM 714 CA TYR A 46 -1.431 -14.163 -37.215 1.00 0.00 C ATOM 715 C TYR A 46 -0.090 -13.835 -36.574 1.00 0.00 C ATOM 716 O TYR A 46 0.747 -14.707 -36.391 1.00 0.00 O ATOM 717 CB TYR A 46 -1.184 -14.654 -38.635 1.00 0.00 C ATOM 718 CG TYR A 46 -2.427 -14.795 -39.459 1.00 0.00 C ATOM 719 CD1 TYR A 46 -3.328 -15.826 -39.239 1.00 0.00 C ATOM 720 CD2 TYR A 46 -2.695 -13.892 -40.466 1.00 0.00 C ATOM 721 CE1 TYR A 46 -4.467 -15.946 -40.004 1.00 0.00 C ATOM 722 CE2 TYR A 46 -3.826 -14.007 -41.231 1.00 0.00 C ATOM 723 CZ TYR A 46 -4.711 -15.030 -41.001 1.00 0.00 C ATOM 724 OH TYR A 46 -5.838 -15.141 -41.784 1.00 0.00 O ATOM 0 H TYR A 46 -2.183 -12.420 -38.062 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.935 -14.940 -36.641 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.507 -13.961 -39.135 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.679 -15.619 -38.592 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.134 -16.545 -38.457 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.004 -13.083 -40.654 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.162 -16.752 -39.823 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.021 -13.291 -42.016 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.116 -14.251 -42.085 1.00 0.00 H new ATOM 734 N GLY A 47 0.119 -12.565 -36.262 1.00 0.00 N ATOM 735 CA GLY A 47 1.379 -12.152 -35.690 1.00 0.00 C ATOM 736 C GLY A 47 2.392 -11.723 -36.743 1.00 0.00 C ATOM 737 O GLY A 47 3.550 -11.468 -36.432 1.00 0.00 O ATOM 0 H GLY A 47 -0.561 -11.816 -36.395 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.206 -11.326 -35.000 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.794 -12.973 -35.106 1.00 0.00 H new ATOM 741 N ILE A 48 1.951 -11.614 -37.977 1.00 0.00 N ATOM 742 CA ILE A 48 2.823 -11.249 -39.079 1.00 0.00 C ATOM 743 C ILE A 48 2.888 -9.736 -39.200 1.00 0.00 C ATOM 744 O ILE A 48 1.859 -9.085 -39.190 1.00 0.00 O ATOM 745 CB ILE A 48 2.380 -11.930 -40.439 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.935 -13.362 -40.547 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.793 -11.122 -41.668 1.00 0.00 C ATOM 748 CD1 ILE A 48 2.466 -14.314 -39.479 1.00 0.00 C ATOM 0 H ILE A 48 0.981 -11.775 -38.248 1.00 0.00 H new ATOM 0 HA ILE A 48 3.824 -11.625 -38.865 1.00 0.00 H new ATOM 0 HB ILE A 48 1.291 -11.964 -40.420 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.660 -13.769 -41.520 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.024 -13.316 -40.517 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.463 -11.637 -42.570 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.334 -10.134 -41.625 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.878 -11.017 -41.687 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.913 -15.294 -39.644 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.765 -13.939 -38.500 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.380 -14.399 -39.519 1.00 0.00 H new ATOM 760 N PRO A 49 4.092 -9.162 -39.268 1.00 0.00 N ATOM 761 CA PRO A 49 4.278 -7.713 -39.366 1.00 0.00 C ATOM 762 C PRO A 49 3.763 -7.151 -40.704 1.00 0.00 C ATOM 763 O PRO A 49 4.395 -7.299 -41.756 1.00 0.00 O ATOM 764 CB PRO A 49 5.797 -7.543 -39.262 1.00 0.00 C ATOM 765 CG PRO A 49 6.344 -8.831 -39.751 1.00 0.00 C ATOM 766 CD PRO A 49 5.384 -9.876 -39.272 1.00 0.00 C ATOM 0 HA PRO A 49 3.723 -7.175 -38.597 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.146 -6.707 -39.868 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.106 -7.344 -38.236 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.422 -8.838 -40.838 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.345 -9.007 -39.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.365 -10.741 -39.935 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.647 -10.241 -38.279 1.00 0.00 H new ATOM 774 N ARG A 50 2.605 -6.579 -40.655 1.00 0.00 N ATOM 775 CA ARG A 50 1.962 -5.977 -41.794 1.00 0.00 C ATOM 776 C ARG A 50 2.335 -4.504 -41.894 1.00 0.00 C ATOM 777 O ARG A 50 2.601 -3.859 -40.868 1.00 0.00 O ATOM 778 CB ARG A 50 0.476 -6.103 -41.583 1.00 0.00 C ATOM 779 CG ARG A 50 0.003 -7.528 -41.631 1.00 0.00 C ATOM 780 CD ARG A 50 -0.157 -7.988 -43.047 1.00 0.00 C ATOM 781 NE ARG A 50 -1.568 -7.916 -43.443 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.035 -7.494 -44.628 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.194 -7.155 -45.598 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.352 -7.415 -44.833 1.00 0.00 N ATOM 0 H ARG A 50 2.057 -6.512 -39.798 1.00 0.00 H new ATOM 0 HA ARG A 50 2.275 -6.472 -42.713 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.212 -5.669 -40.619 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.046 -5.525 -42.346 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.716 -8.170 -41.114 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.947 -7.618 -41.105 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.447 -7.368 -43.710 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.206 -9.011 -43.149 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.258 -8.214 -42.754 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.187 -7.215 -45.444 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.555 -6.835 -46.497 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.000 -7.675 -44.090 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.710 -7.095 -45.733 1.00 0.00 H new ATOM 798 N GLN A 51 2.374 -3.980 -43.104 1.00 0.00 N ATOM 799 CA GLN A 51 2.633 -2.567 -43.319 1.00 0.00 C ATOM 800 C GLN A 51 1.338 -1.793 -43.279 1.00 0.00 C ATOM 801 O GLN A 51 0.249 -2.345 -43.474 1.00 0.00 O ATOM 802 CB GLN A 51 3.334 -2.308 -44.634 1.00 0.00 C ATOM 803 CG GLN A 51 4.825 -2.537 -44.620 1.00 0.00 C ATOM 804 CD GLN A 51 5.622 -1.249 -44.520 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.711 -1.143 -45.065 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.143 -0.307 -43.747 1.00 0.00 N ATOM 0 H GLN A 51 2.229 -4.515 -43.960 1.00 0.00 H new ATOM 0 HA GLN A 51 3.293 -2.234 -42.518 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.891 -2.948 -45.397 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.143 -1.277 -44.933 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.080 -3.182 -43.779 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.114 -3.067 -45.527 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.231 -0.424 -43.306 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.682 0.544 -43.586 1.00 0.00 H new ATOM 815 N LEU A 52 1.462 -0.527 -43.032 1.00 0.00 N ATOM 816 CA LEU A 52 0.309 0.327 -42.808 1.00 0.00 C ATOM 817 C LEU A 52 0.287 1.533 -43.718 1.00 0.00 C ATOM 818 O LEU A 52 -0.788 2.063 -44.007 1.00 0.00 O ATOM 819 CB LEU A 52 0.398 0.795 -41.361 1.00 0.00 C ATOM 820 CG LEU A 52 0.518 -0.348 -40.365 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.817 0.157 -39.002 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.740 -1.186 -40.367 1.00 0.00 C ATOM 0 H LEU A 52 2.359 -0.044 -42.977 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.601 -0.235 -43.018 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.259 1.454 -41.252 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.487 1.384 -41.122 1.00 0.00 H new ATOM 0 HG LEU A 52 1.352 -0.979 -40.673 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.897 -0.683 -38.312 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.759 0.706 -39.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.015 0.820 -38.675 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.637 -1.999 -39.649 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.592 -0.564 -40.091 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.900 -1.600 -41.363 1.00 0.00 H new ATOM 834 N ASN A 53 1.464 1.901 -44.228 1.00 0.00 N ATOM 835 CA ASN A 53 1.771 3.210 -44.945 1.00 0.00 C ATOM 836 C ASN A 53 1.039 3.440 -46.250 1.00 0.00 C ATOM 837 O ASN A 53 1.476 4.200 -47.110 1.00 0.00 O ATOM 838 CB ASN A 53 3.278 3.379 -45.148 1.00 0.00 C ATOM 839 CG ASN A 53 4.061 3.258 -43.861 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.244 2.912 -43.861 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.403 3.463 -42.747 1.00 0.00 N ATOM 0 H ASN A 53 2.283 1.295 -44.168 1.00 0.00 H new ATOM 0 HA ASN A 53 1.386 3.976 -44.272 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.631 2.628 -45.854 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.472 4.354 -45.596 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.869 3.337 -41.849 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.424 3.749 -42.778 1.00 0.00 H new ATOM 848 N GLU A 54 -0.072 2.864 -46.339 1.00 0.00 N ATOM 849 CA GLU A 54 -0.960 3.043 -47.429 1.00 0.00 C ATOM 850 C GLU A 54 -1.822 4.257 -47.102 1.00 0.00 C ATOM 851 O GLU A 54 -2.180 5.043 -47.960 1.00 0.00 O ATOM 852 CB GLU A 54 -1.815 1.806 -47.577 1.00 0.00 C ATOM 853 CG GLU A 54 -0.969 0.565 -47.650 1.00 0.00 C ATOM 854 CD GLU A 54 -0.084 0.499 -48.867 1.00 0.00 C ATOM 855 OE1 GLU A 54 1.072 0.972 -48.798 1.00 0.00 O ATOM 856 OE2 GLU A 54 -0.507 -0.059 -49.898 1.00 0.00 O ATOM 0 H GLU A 54 -0.422 2.220 -45.630 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.426 3.200 -48.366 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.501 1.732 -46.733 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.424 1.887 -48.477 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.347 0.509 -46.757 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.621 -0.308 -47.640 1.00 0.00 H new ATOM 863 N ASN A 55 -2.068 4.416 -45.791 1.00 0.00 N ATOM 864 CA ASN A 55 -2.877 5.512 -45.216 1.00 0.00 C ATOM 865 C ASN A 55 -2.964 5.326 -43.702 1.00 0.00 C ATOM 866 O ASN A 55 -3.100 6.288 -42.950 1.00 0.00 O ATOM 867 CB ASN A 55 -4.313 5.540 -45.807 1.00 0.00 C ATOM 868 CG ASN A 55 -5.360 4.728 -45.019 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.056 5.258 -44.154 1.00 0.00 O ATOM 870 ND2 ASN A 55 -5.443 3.450 -45.278 1.00 0.00 N ATOM 0 H ASN A 55 -1.705 3.776 -45.085 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.392 6.456 -45.464 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.646 6.576 -45.863 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.276 5.162 -46.829 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.097 2.866 -44.757 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.854 3.037 -46.001 1.00 0.00 H new ATOM 877 N SER A 56 -2.904 4.077 -43.273 1.00 0.00 N ATOM 878 CA SER A 56 -3.017 3.738 -41.898 1.00 0.00 C ATOM 879 C SER A 56 -1.666 3.687 -41.227 1.00 0.00 C ATOM 880 O SER A 56 -0.633 3.677 -41.886 1.00 0.00 O ATOM 881 CB SER A 56 -3.697 2.390 -41.784 1.00 0.00 C ATOM 882 OG SER A 56 -4.879 2.365 -42.566 1.00 0.00 O ATOM 0 H SER A 56 -2.774 3.275 -43.889 1.00 0.00 H new ATOM 0 HA SER A 56 -3.606 4.506 -41.396 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.018 1.604 -42.115 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.939 2.185 -40.741 1.00 0.00 H new ATOM 0 HG SER A 56 -5.308 1.488 -42.482 1.00 0.00 H new ATOM 888 N PHE A 57 -1.685 3.718 -39.932 1.00 0.00 N ATOM 889 CA PHE A 57 -0.519 3.568 -39.113 1.00 0.00 C ATOM 890 C PHE A 57 -1.004 2.940 -37.820 1.00 0.00 C ATOM 891 O PHE A 57 -2.206 2.914 -37.590 1.00 0.00 O ATOM 892 CB PHE A 57 0.146 4.913 -38.819 1.00 0.00 C ATOM 893 CG PHE A 57 0.470 5.761 -40.031 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.665 5.597 -40.711 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.441 6.696 -40.504 1.00 0.00 C ATOM 896 CE1 PHE A 57 1.947 6.350 -41.838 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.167 7.445 -41.632 1.00 0.00 C ATOM 898 CZ PHE A 57 1.030 7.272 -42.299 1.00 0.00 C ATOM 0 H PHE A 57 -2.542 3.853 -39.395 1.00 0.00 H new ATOM 0 HA PHE A 57 0.229 2.957 -39.619 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.508 5.486 -38.162 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.069 4.729 -38.269 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.385 4.874 -40.358 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.376 6.840 -39.983 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.885 6.216 -42.356 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.888 8.165 -41.992 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.248 7.858 -43.180 1.00 0.00 H new ATOM 908 N ALA A 58 -0.122 2.443 -36.995 1.00 0.00 N ATOM 909 CA ALA A 58 -0.544 1.777 -35.769 1.00 0.00 C ATOM 910 C ALA A 58 0.206 2.303 -34.598 1.00 0.00 C ATOM 911 O ALA A 58 1.217 2.959 -34.766 1.00 0.00 O ATOM 912 CB ALA A 58 -0.347 0.276 -35.861 1.00 0.00 C ATOM 0 H ALA A 58 0.887 2.480 -37.138 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.606 1.983 -35.638 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.671 -0.191 -34.931 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.936 -0.118 -36.689 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.708 0.057 -36.029 1.00 0.00 H new ATOM 918 N ILE A 59 -0.277 2.014 -33.424 1.00 0.00 N ATOM 919 CA ILE A 59 0.351 2.445 -32.216 1.00 0.00 C ATOM 920 C ILE A 59 0.027 1.487 -31.071 1.00 0.00 C ATOM 921 O ILE A 59 -1.063 0.919 -31.018 1.00 0.00 O ATOM 922 CB ILE A 59 -0.094 3.887 -31.856 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.666 4.366 -30.636 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.611 3.952 -31.598 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.607 5.839 -30.443 1.00 0.00 C ATOM 0 H ILE A 59 -1.126 1.467 -33.281 1.00 0.00 H new ATOM 0 HA ILE A 59 1.430 2.444 -32.372 1.00 0.00 H new ATOM 0 HB ILE A 59 0.130 4.538 -32.701 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.263 3.875 -29.750 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.709 4.060 -30.724 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.894 4.974 -31.348 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.146 3.636 -32.493 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.868 3.292 -30.770 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.172 6.112 -29.552 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.037 6.337 -31.312 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.431 6.149 -30.324 1.00 0.00 H new ATOM 937 N THR A 60 0.961 1.299 -30.176 1.00 0.00 N ATOM 938 CA THR A 60 0.731 0.495 -29.049 1.00 0.00 C ATOM 939 C THR A 60 0.584 1.428 -27.836 1.00 0.00 C ATOM 940 O THR A 60 1.536 1.991 -27.300 1.00 0.00 O ATOM 941 CB THR A 60 1.809 -0.649 -28.882 1.00 0.00 C ATOM 942 OG1 THR A 60 1.350 -1.657 -27.961 1.00 0.00 O ATOM 943 CG2 THR A 60 3.166 -0.138 -28.416 1.00 0.00 C ATOM 0 H THR A 60 1.895 1.707 -30.226 1.00 0.00 H new ATOM 0 HA THR A 60 -0.195 -0.068 -29.162 1.00 0.00 H new ATOM 0 HB THR A 60 1.939 -1.075 -29.877 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.379 -1.581 -27.850 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.858 -0.975 -28.322 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.556 0.575 -29.143 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.057 0.353 -27.449 1.00 0.00 H new ATOM 951 N THR A 61 -0.630 1.682 -27.520 1.00 0.00 N ATOM 952 CA THR A 61 -0.972 2.573 -26.464 1.00 0.00 C ATOM 953 C THR A 61 -2.172 1.992 -25.731 1.00 0.00 C ATOM 954 O THR A 61 -2.720 0.988 -26.160 1.00 0.00 O ATOM 955 CB THR A 61 -1.312 3.985 -27.032 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.451 4.920 -25.964 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.612 3.955 -27.821 1.00 0.00 C ATOM 0 H THR A 61 -1.434 1.271 -27.994 1.00 0.00 H new ATOM 0 HA THR A 61 -0.131 2.685 -25.779 1.00 0.00 H new ATOM 0 HB THR A 61 -0.497 4.284 -27.691 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.296 5.827 -26.301 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.827 4.952 -28.206 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.517 3.257 -28.653 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.425 3.635 -27.170 1.00 0.00 H new ATOM 965 N SER A 62 -2.577 2.593 -24.657 1.00 0.00 N ATOM 966 CA SER A 62 -3.703 2.090 -23.927 1.00 0.00 C ATOM 967 C SER A 62 -4.699 3.206 -23.645 1.00 0.00 C ATOM 968 O SER A 62 -5.674 3.016 -22.923 1.00 0.00 O ATOM 969 CB SER A 62 -3.233 1.418 -22.648 1.00 0.00 C ATOM 970 OG SER A 62 -4.299 0.789 -21.971 1.00 0.00 O ATOM 0 H SER A 62 -2.148 3.431 -24.265 1.00 0.00 H new ATOM 0 HA SER A 62 -4.217 1.342 -24.531 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.466 0.681 -22.884 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.773 2.159 -21.995 1.00 0.00 H new ATOM 0 HG SER A 62 -5.103 1.345 -22.039 1.00 0.00 H new ATOM 976 N LEU A 63 -4.450 4.361 -24.219 1.00 0.00 N ATOM 977 CA LEU A 63 -5.365 5.467 -24.094 1.00 0.00 C ATOM 978 C LEU A 63 -6.524 5.303 -25.053 1.00 0.00 C ATOM 979 O LEU A 63 -6.538 4.367 -25.877 1.00 0.00 O ATOM 980 CB LEU A 63 -4.644 6.833 -24.217 1.00 0.00 C ATOM 981 CG LEU A 63 -3.680 7.026 -25.379 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.375 7.357 -26.645 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.586 8.021 -25.049 1.00 0.00 C ATOM 0 H LEU A 63 -3.619 4.557 -24.778 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.785 5.460 -23.088 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.406 7.609 -24.282 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.093 7.005 -23.293 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.194 6.064 -25.541 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.641 7.484 -27.441 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.058 6.549 -26.907 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.938 8.282 -26.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.921 8.128 -25.906 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.032 8.987 -24.813 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.017 7.665 -24.190 1.00 0.00 H new ATOM 995 N ALA A 64 -7.482 6.170 -24.970 1.00 0.00 N ATOM 996 CA ALA A 64 -8.653 6.007 -25.767 1.00 0.00 C ATOM 997 C ALA A 64 -8.468 6.576 -27.150 1.00 0.00 C ATOM 998 O ALA A 64 -7.540 7.340 -27.396 1.00 0.00 O ATOM 999 CB ALA A 64 -9.876 6.570 -25.086 1.00 0.00 C ATOM 0 H ALA A 64 -7.477 6.991 -24.364 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.818 4.936 -25.882 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.747 6.426 -25.725 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.033 6.056 -24.138 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.732 7.635 -24.902 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.376 6.232 -28.034 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.313 6.627 -29.425 1.00 0.00 C ATOM 1007 C ALA A 65 -9.265 8.129 -29.590 1.00 0.00 C ATOM 1008 O ALA A 65 -8.424 8.658 -30.318 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.475 6.042 -30.186 1.00 0.00 C ATOM 0 H ALA A 65 -10.191 5.662 -27.806 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.384 6.232 -29.837 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.416 6.347 -31.231 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.441 4.954 -30.123 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.410 6.401 -29.756 1.00 0.00 H new ATOM 1015 N SER A 66 -10.103 8.819 -28.870 1.00 0.00 N ATOM 1016 CA SER A 66 -10.137 10.247 -28.974 1.00 0.00 C ATOM 1017 C SER A 66 -9.010 10.907 -28.191 1.00 0.00 C ATOM 1018 O SER A 66 -8.805 12.124 -28.268 1.00 0.00 O ATOM 1019 CB SER A 66 -11.508 10.770 -28.622 1.00 0.00 C ATOM 1020 OG SER A 66 -12.448 10.229 -29.537 1.00 0.00 O ATOM 0 H SER A 66 -10.768 8.417 -28.209 1.00 0.00 H new ATOM 0 HA SER A 66 -9.954 10.522 -30.013 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.769 10.490 -27.602 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.520 11.859 -28.667 1.00 0.00 H new ATOM 0 HG SER A 66 -12.067 10.236 -30.440 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.248 10.098 -27.477 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.081 10.580 -26.820 1.00 0.00 C ATOM 1028 C GLU A 67 -5.950 10.527 -27.808 1.00 0.00 C ATOM 1029 O GLU A 67 -5.144 11.434 -27.862 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.755 9.778 -25.567 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.767 9.937 -24.453 1.00 0.00 C ATOM 1032 CD GLU A 67 -7.908 11.371 -24.005 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -6.942 11.934 -23.441 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -8.987 11.949 -24.174 1.00 0.00 O ATOM 0 H GLU A 67 -8.431 9.103 -27.347 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.248 11.603 -26.483 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.684 8.723 -25.832 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.775 10.081 -25.199 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.735 9.568 -24.790 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.469 9.322 -23.604 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.913 9.449 -28.623 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.916 9.346 -29.698 1.00 0.00 C ATOM 1043 C ILE A 68 -5.100 10.520 -30.625 1.00 0.00 C ATOM 1044 O ILE A 68 -4.137 11.172 -31.004 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.034 8.069 -30.570 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.532 6.880 -29.766 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.688 7.765 -31.207 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.328 5.539 -30.394 1.00 0.00 C ATOM 0 H ILE A 68 -6.551 8.656 -28.555 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.945 9.318 -29.204 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.771 8.254 -31.352 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.033 6.886 -28.797 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.597 7.014 -29.577 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.770 6.868 -31.820 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.383 8.605 -31.832 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.944 7.605 -30.427 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.720 4.765 -29.734 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.852 5.501 -31.349 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.263 5.372 -30.557 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.367 10.788 -30.974 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.710 11.932 -31.799 1.00 0.00 C ATOM 1062 C GLU A 69 -6.149 13.183 -31.188 1.00 0.00 C ATOM 1063 O GLU A 69 -5.407 13.894 -31.825 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.220 12.094 -31.944 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.886 10.990 -32.701 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.383 11.161 -32.788 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -11.111 10.803 -31.833 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -10.873 11.633 -33.820 1.00 0.00 O ATOM 0 H GLU A 69 -7.166 10.220 -30.692 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.284 11.762 -32.788 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.664 12.157 -30.951 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.426 13.039 -32.446 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.471 10.944 -33.708 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.661 10.038 -32.220 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.466 13.398 -29.929 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.031 14.582 -29.193 1.00 0.00 C ATOM 1077 C ASP A 70 -4.517 14.719 -29.172 1.00 0.00 C ATOM 1078 O ASP A 70 -3.995 15.808 -29.372 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.634 14.598 -27.789 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.164 15.746 -26.928 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -6.523 16.913 -27.201 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -5.464 15.499 -25.942 1.00 0.00 O ATOM 0 H ASP A 70 -7.036 12.757 -29.378 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.405 15.458 -29.722 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.720 14.642 -27.872 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.390 13.660 -27.290 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.835 13.608 -29.001 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.384 13.559 -29.051 1.00 0.00 C ATOM 1089 C LEU A 71 -1.881 14.046 -30.396 1.00 0.00 C ATOM 1090 O LEU A 71 -1.025 14.921 -30.470 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.878 12.133 -28.810 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.279 11.828 -27.440 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.308 11.971 -26.332 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.668 10.442 -27.448 1.00 0.00 C ATOM 0 H LEU A 71 -4.272 12.704 -28.822 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.003 14.210 -28.264 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.709 11.447 -28.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.125 11.910 -29.565 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.496 12.558 -27.236 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.843 11.746 -25.372 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.690 12.992 -26.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.131 11.278 -26.508 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.241 10.227 -26.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.439 9.706 -27.678 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.116 10.394 -28.204 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.461 13.529 -31.450 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.044 13.871 -32.787 1.00 0.00 C ATOM 1108 C ILE A 72 -2.385 15.331 -33.084 1.00 0.00 C ATOM 1109 O ILE A 72 -1.563 16.081 -33.602 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.725 12.937 -33.808 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.261 11.507 -33.569 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.410 13.362 -35.241 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.219 10.480 -34.068 1.00 0.00 C ATOM 0 H ILE A 72 -3.232 12.862 -31.406 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.964 13.744 -32.867 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.805 13.000 -33.673 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.297 11.360 -34.056 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.105 11.358 -32.501 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.904 12.685 -35.938 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.769 14.378 -35.406 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.333 13.327 -35.402 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.824 9.485 -33.864 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.177 10.601 -33.563 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.357 10.603 -35.142 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.572 15.736 -32.684 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.046 17.082 -32.919 1.00 0.00 C ATOM 1127 C ARG A 73 -3.257 18.112 -32.091 1.00 0.00 C ATOM 1128 O ARG A 73 -3.158 19.273 -32.481 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.558 17.191 -32.654 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.387 16.155 -33.421 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.886 16.336 -33.230 1.00 0.00 C ATOM 1132 NE ARG A 73 -8.280 16.266 -31.815 1.00 0.00 N ATOM 1133 CZ ARG A 73 -9.414 15.728 -31.349 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -10.297 15.190 -32.186 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -9.661 15.744 -30.043 1.00 0.00 N ATOM 0 H ARG A 73 -4.235 15.141 -32.187 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.875 17.312 -33.971 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.741 17.074 -31.586 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.896 18.190 -32.927 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.151 16.222 -34.483 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.102 15.155 -33.094 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.189 17.298 -33.642 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.417 15.567 -33.791 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.635 16.661 -31.131 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.112 15.186 -33.189 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.159 14.782 -31.825 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.988 16.165 -29.402 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.523 15.336 -29.682 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.673 17.699 -30.963 1.00 0.00 N ATOM 1150 CA LEU A 74 -1.881 18.632 -30.176 1.00 0.00 C ATOM 1151 C LEU A 74 -0.429 18.635 -30.668 1.00 0.00 C ATOM 1152 O LEU A 74 0.313 19.583 -30.448 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.024 18.393 -28.637 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.253 17.236 -27.976 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.134 17.692 -27.545 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.022 16.690 -26.784 1.00 0.00 C ATOM 0 H LEU A 74 -2.733 16.753 -30.587 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.276 19.636 -30.331 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.727 19.313 -28.134 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.083 18.243 -28.427 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.143 16.439 -28.711 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.663 16.860 -27.080 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.692 18.034 -28.417 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.042 18.509 -26.829 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.460 15.873 -26.331 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.165 17.483 -26.050 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.993 16.322 -27.115 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.032 17.577 -31.377 1.00 0.00 N ATOM 1169 CA LYS A 75 1.285 17.547 -32.013 1.00 0.00 C ATOM 1170 C LYS A 75 1.205 18.220 -33.373 1.00 0.00 C ATOM 1171 O LYS A 75 2.208 18.501 -34.014 1.00 0.00 O ATOM 1172 CB LYS A 75 1.892 16.125 -32.124 1.00 0.00 C ATOM 1173 CG LYS A 75 2.693 15.657 -30.891 1.00 0.00 C ATOM 1174 CD LYS A 75 1.835 15.504 -29.659 1.00 0.00 C ATOM 1175 CE LYS A 75 2.647 15.177 -28.412 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.395 13.908 -28.523 1.00 0.00 N ATOM 0 H LYS A 75 -0.596 16.740 -31.524 1.00 0.00 H new ATOM 0 HA LYS A 75 1.967 18.099 -31.366 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.085 15.415 -32.304 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.545 16.093 -32.996 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.172 14.704 -31.115 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.489 16.373 -30.687 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.278 16.426 -29.493 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.102 14.715 -29.828 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.348 15.989 -28.219 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.977 15.123 -27.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.379 13.415 -27.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.953 13.307 -29.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.380 14.108 -28.792 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.013 18.510 -33.785 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.269 19.241 -35.007 1.00 0.00 C ATOM 1192 C CYS A 76 0.052 20.717 -34.775 1.00 0.00 C ATOM 1193 O CYS A 76 0.177 21.505 -35.703 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.725 19.055 -35.423 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.204 19.791 -37.009 1.00 0.00 S ATOM 0 H CYS A 76 -0.857 18.243 -33.278 1.00 0.00 H new ATOM 0 HA CYS A 76 0.362 18.864 -35.812 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.936 17.986 -35.463 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.360 19.476 -34.644 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.462 19.554 -37.235 1.00 0.00 H new ATOM 1201 N LEU A 77 0.211 21.074 -33.517 1.00 0.00 N ATOM 1202 CA LEU A 77 0.585 22.414 -33.146 1.00 0.00 C ATOM 1203 C LEU A 77 2.078 22.616 -33.417 1.00 0.00 C ATOM 1204 O LEU A 77 2.559 23.744 -33.486 1.00 0.00 O ATOM 1205 CB LEU A 77 0.276 22.655 -31.664 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.171 22.394 -31.225 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -1.341 22.662 -29.743 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -2.142 23.231 -32.033 1.00 0.00 C ATOM 0 H LEU A 77 0.084 20.441 -32.727 1.00 0.00 H new ATOM 0 HA LEU A 77 0.013 23.128 -33.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.934 22.022 -31.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.526 23.689 -31.425 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.393 21.343 -31.410 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.375 22.470 -29.455 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.679 22.007 -29.177 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.092 23.702 -29.530 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.160 23.027 -31.702 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.918 24.288 -31.889 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.047 22.980 -33.090 1.00 0.00 H new ATOM 1220 N ASP A 78 2.792 21.510 -33.587 1.00 0.00 N ATOM 1221 CA ASP A 78 4.232 21.528 -33.852 1.00 0.00 C ATOM 1222 C ASP A 78 4.449 21.803 -35.311 1.00 0.00 C ATOM 1223 O ASP A 78 5.279 22.622 -35.699 1.00 0.00 O ATOM 1224 CB ASP A 78 4.839 20.174 -33.520 1.00 0.00 C ATOM 1225 CG ASP A 78 6.359 20.176 -33.500 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.952 20.510 -32.442 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.997 19.803 -34.513 1.00 0.00 O ATOM 0 H ASP A 78 2.392 20.573 -33.546 1.00 0.00 H new ATOM 0 HA ASP A 78 4.702 22.297 -33.239 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.472 19.850 -32.546 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.495 19.442 -34.251 1.00 0.00 H new ATOM 1232 N LEU A 79 3.669 21.127 -36.117 1.00 0.00 N ATOM 1233 CA LEU A 79 3.725 21.296 -37.563 1.00 0.00 C ATOM 1234 C LEU A 79 3.054 22.632 -37.943 1.00 0.00 C ATOM 1235 O LEU A 79 2.325 23.201 -37.122 1.00 0.00 O ATOM 1236 CB LEU A 79 3.049 20.070 -38.240 1.00 0.00 C ATOM 1237 CG LEU A 79 1.546 19.871 -38.004 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.706 20.730 -38.925 1.00 0.00 C ATOM 1239 CD2 LEU A 79 1.172 18.426 -38.125 1.00 0.00 C ATOM 0 H LEU A 79 2.979 20.446 -35.800 1.00 0.00 H new ATOM 0 HA LEU A 79 4.755 21.339 -37.916 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.214 20.146 -39.315 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.565 19.172 -37.901 1.00 0.00 H new ATOM 0 HG LEU A 79 1.335 20.195 -36.985 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.351 20.556 -38.722 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.940 21.781 -38.756 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.923 20.472 -39.962 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.102 18.312 -37.953 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.420 18.069 -39.125 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.722 17.845 -37.385 1.00 0.00 H new ATOM 1251 N PRO A 80 3.317 23.170 -39.159 1.00 0.00 N ATOM 1252 CA PRO A 80 2.705 24.421 -39.612 1.00 0.00 C ATOM 1253 C PRO A 80 1.161 24.378 -39.600 1.00 0.00 C ATOM 1254 O PRO A 80 0.536 24.905 -38.670 1.00 0.00 O ATOM 1255 CB PRO A 80 3.247 24.637 -41.033 1.00 0.00 C ATOM 1256 CG PRO A 80 3.973 23.387 -41.401 1.00 0.00 C ATOM 1257 CD PRO A 80 4.271 22.635 -40.137 1.00 0.00 C ATOM 0 HA PRO A 80 2.958 25.241 -38.940 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.435 24.835 -41.733 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.914 25.498 -41.067 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.368 22.778 -42.073 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.896 23.624 -41.930 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.140 21.562 -40.273 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.300 22.792 -39.815 1.00 0.00 H new ATOM 1265 N ASP A 81 0.554 23.706 -40.582 1.00 0.00 N ATOM 1266 CA ASP A 81 -0.919 23.601 -40.654 1.00 0.00 C ATOM 1267 C ASP A 81 -1.365 22.630 -41.735 1.00 0.00 C ATOM 1268 O ASP A 81 -0.947 22.740 -42.894 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.585 24.978 -40.879 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.095 24.896 -40.993 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -3.772 24.609 -39.987 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.638 25.130 -42.093 1.00 0.00 O ATOM 0 H ASP A 81 1.048 23.228 -41.335 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.244 23.215 -39.688 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.324 25.640 -40.054 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.182 25.426 -41.787 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.199 21.683 -41.347 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.761 20.700 -42.237 1.00 0.00 C ATOM 1279 C ILE A 82 -4.129 20.287 -41.757 1.00 0.00 C ATOM 1280 O ILE A 82 -4.297 19.814 -40.631 1.00 0.00 O ATOM 1281 CB ILE A 82 -1.866 19.421 -42.434 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.645 18.321 -43.187 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.333 18.898 -41.113 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.842 17.076 -43.472 1.00 0.00 C ATOM 0 H ILE A 82 -2.508 21.579 -40.380 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.823 21.185 -43.211 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.007 19.712 -43.038 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.522 18.047 -42.601 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.007 18.730 -44.130 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.720 18.015 -41.292 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.728 19.668 -40.634 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.167 18.635 -40.463 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.464 16.355 -44.003 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.979 17.332 -44.086 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.502 16.639 -42.533 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.104 20.529 -42.568 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.423 20.031 -42.304 1.00 0.00 C ATOM 1298 C ASP A 83 -6.515 18.597 -42.772 1.00 0.00 C ATOM 1299 O ASP A 83 -6.601 18.314 -43.973 1.00 0.00 O ATOM 1300 CB ASP A 83 -7.517 20.887 -42.946 1.00 0.00 C ATOM 1301 CG ASP A 83 -8.886 20.267 -42.770 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.367 20.176 -41.620 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -9.490 19.829 -43.779 1.00 0.00 O ATOM 0 H ASP A 83 -5.016 21.072 -43.427 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.592 20.081 -41.228 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.508 21.882 -42.502 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.307 21.010 -44.008 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.409 17.709 -41.842 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.487 16.298 -42.106 1.00 0.00 C ATOM 1310 C PHE A 84 -7.656 15.726 -41.340 1.00 0.00 C ATOM 1311 O PHE A 84 -8.275 16.427 -40.538 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.173 15.588 -41.680 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.829 15.707 -40.201 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -4.064 16.757 -39.744 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -5.271 14.765 -39.282 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -3.741 16.878 -38.408 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -4.952 14.879 -37.942 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.186 15.937 -37.505 1.00 0.00 C ATOM 0 H PHE A 84 -6.263 17.939 -40.859 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.627 16.137 -43.175 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.249 14.531 -41.936 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.349 15.999 -42.264 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.710 17.499 -40.444 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.872 13.933 -39.618 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.140 17.709 -38.070 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.303 14.139 -37.238 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.935 16.029 -36.459 1.00 0.00 H new ATOM 1328 N ASP A 85 -7.970 14.502 -41.600 1.00 0.00 N ATOM 1329 CA ASP A 85 -8.982 13.788 -40.857 1.00 0.00 C ATOM 1330 C ASP A 85 -8.438 12.434 -40.555 1.00 0.00 C ATOM 1331 O ASP A 85 -7.812 11.828 -41.418 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.288 13.666 -41.653 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.323 12.805 -40.946 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.989 13.286 -40.001 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.513 11.634 -41.335 1.00 0.00 O ATOM 0 H ASP A 85 -7.533 13.953 -42.340 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.218 14.332 -39.942 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.701 14.660 -41.821 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.074 13.240 -42.633 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.589 11.976 -39.351 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.098 10.683 -39.012 1.00 0.00 C ATOM 1342 C LEU A 86 -9.212 9.865 -38.420 1.00 0.00 C ATOM 1343 O LEU A 86 -10.171 10.412 -37.879 1.00 0.00 O ATOM 1344 CB LEU A 86 -6.946 10.765 -37.999 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.327 11.039 -36.523 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.164 10.777 -35.625 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.816 12.458 -36.296 1.00 0.00 C ATOM 0 H LEU A 86 -9.047 12.479 -38.591 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.723 10.217 -39.923 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.393 9.826 -38.038 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.264 11.550 -38.324 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.147 10.360 -36.288 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.450 10.975 -34.592 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.856 9.736 -35.723 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.336 11.429 -35.903 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.068 12.592 -35.244 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.031 13.162 -36.573 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.700 12.640 -36.907 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.127 8.596 -38.569 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.027 7.711 -37.926 1.00 0.00 C ATOM 1361 C ASN A 87 -9.240 6.717 -37.118 1.00 0.00 C ATOM 1362 O ASN A 87 -8.477 5.923 -37.679 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.926 6.990 -38.937 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.807 5.947 -38.283 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.326 4.740 -38.231 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.913 6.238 -37.824 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.424 8.136 -39.147 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.679 8.288 -37.270 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.552 7.721 -39.449 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.306 6.514 -39.696 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.254 7.197 -37.885 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.487 5.520 -37.383 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.371 6.794 -35.822 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.750 5.837 -34.943 1.00 0.00 C ATOM 1375 C ILE A 88 -9.608 4.590 -34.899 1.00 0.00 C ATOM 1376 O ILE A 88 -10.841 4.675 -34.932 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.597 6.381 -33.498 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.687 7.615 -33.464 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.036 5.290 -32.583 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.273 7.338 -33.904 1.00 0.00 C ATOM 0 H ILE A 88 -9.909 7.518 -35.345 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.754 5.625 -35.331 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.583 6.677 -33.141 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.113 8.387 -34.105 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.671 8.015 -32.450 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.932 5.682 -31.571 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.715 4.438 -32.574 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.060 4.973 -32.951 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.690 8.257 -33.853 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.828 6.589 -33.249 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.277 6.967 -34.929 1.00 0.00 H new ATOM 1392 N MET A 89 -8.975 3.463 -34.891 1.00 0.00 N ATOM 1393 CA MET A 89 -9.627 2.208 -34.746 1.00 0.00 C ATOM 1394 C MET A 89 -8.653 1.279 -34.059 1.00 0.00 C ATOM 1395 O MET A 89 -7.475 1.555 -34.016 1.00 0.00 O ATOM 1396 CB MET A 89 -10.045 1.629 -36.118 1.00 0.00 C ATOM 1397 CG MET A 89 -8.902 1.068 -36.958 1.00 0.00 C ATOM 1398 SD MET A 89 -9.423 0.562 -38.609 1.00 0.00 S ATOM 1399 CE MET A 89 -9.712 2.135 -39.398 1.00 0.00 C ATOM 0 H MET A 89 -7.962 3.390 -34.988 1.00 0.00 H new ATOM 0 HA MET A 89 -10.539 2.324 -34.161 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.777 0.838 -35.954 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.545 2.412 -36.689 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.119 1.821 -37.045 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.466 0.212 -36.443 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.601 2.027 -40.477 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.722 2.477 -39.169 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.990 2.864 -39.030 1.00 0.00 H new ATOM 1409 N THR A 90 -9.128 0.261 -33.469 1.00 0.00 N ATOM 1410 CA THR A 90 -8.300 -0.766 -32.937 1.00 0.00 C ATOM 1411 C THR A 90 -7.735 -1.614 -34.084 1.00 0.00 C ATOM 1412 O THR A 90 -8.394 -1.787 -35.094 1.00 0.00 O ATOM 1413 CB THR A 90 -9.179 -1.607 -32.010 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.555 -1.386 -32.399 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.016 -1.163 -30.585 1.00 0.00 C ATOM 0 H THR A 90 -10.126 0.103 -33.333 1.00 0.00 H new ATOM 0 HA THR A 90 -7.454 -0.358 -32.384 1.00 0.00 H new ATOM 0 HB THR A 90 -8.897 -2.657 -32.088 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.047 -2.232 -32.356 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.649 -1.772 -29.939 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.974 -1.278 -30.285 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.306 -0.116 -30.495 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.503 -2.093 -33.938 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.851 -2.980 -34.936 1.00 0.00 C ATOM 1425 C VAL A 91 -6.763 -4.178 -35.254 1.00 0.00 C ATOM 1426 O VAL A 91 -6.909 -4.592 -36.415 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.516 -3.513 -34.360 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.904 -4.604 -35.226 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.527 -2.403 -34.202 1.00 0.00 C ATOM 0 H VAL A 91 -5.916 -1.886 -33.130 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.667 -2.409 -35.846 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.751 -3.944 -33.387 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.970 -4.943 -34.778 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.597 -5.442 -35.299 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.706 -4.209 -36.223 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.597 -2.800 -33.796 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.334 -1.947 -35.173 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.929 -1.652 -33.522 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.408 -4.670 -34.209 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.338 -5.795 -34.251 1.00 0.00 C ATOM 1441 C ASP A 92 -9.498 -5.463 -35.171 1.00 0.00 C ATOM 1442 O ASP A 92 -10.032 -6.326 -35.861 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.886 -6.025 -32.841 1.00 0.00 C ATOM 1444 CG ASP A 92 -7.807 -6.109 -31.789 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -7.308 -5.038 -31.362 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -7.433 -7.224 -31.362 1.00 0.00 O ATOM 0 H ASP A 92 -7.296 -4.285 -33.271 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.823 -6.684 -34.615 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.569 -5.214 -32.587 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.467 -6.947 -32.830 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.852 -4.189 -35.186 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.937 -3.658 -35.999 1.00 0.00 C ATOM 1453 C ASP A 93 -10.448 -3.227 -37.343 1.00 0.00 C ATOM 1454 O ASP A 93 -11.223 -2.961 -38.242 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.655 -2.499 -35.306 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.624 -2.956 -34.264 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -12.204 -3.249 -33.132 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -13.832 -3.050 -34.570 1.00 0.00 O ATOM 0 H ASP A 93 -9.385 -3.479 -34.622 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.654 -4.468 -36.132 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.916 -1.844 -34.845 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.184 -1.907 -36.053 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.175 -3.171 -37.488 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.595 -2.784 -38.720 1.00 0.00 C ATOM 1465 C TYR A 94 -8.441 -3.952 -39.660 1.00 0.00 C ATOM 1466 O TYR A 94 -9.013 -3.958 -40.756 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.276 -2.083 -38.500 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.527 -1.732 -39.764 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.961 -0.703 -40.581 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.384 -2.425 -40.133 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.283 -0.370 -41.725 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.693 -2.094 -41.280 1.00 0.00 C ATOM 1473 CZ TYR A 94 -5.149 -1.062 -42.072 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.466 -0.712 -43.213 1.00 0.00 O ATOM 0 H TYR A 94 -8.504 -3.393 -36.753 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.278 -2.079 -39.194 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.456 -1.168 -37.935 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.641 -2.719 -37.883 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.850 -0.152 -40.312 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.030 -3.236 -39.513 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.640 0.434 -42.351 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.802 -2.639 -41.555 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.686 -1.295 -43.319 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.684 -4.938 -39.238 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.417 -6.108 -40.075 1.00 0.00 C ATOM 1486 C PHE A 95 -8.676 -6.896 -40.420 1.00 0.00 C ATOM 1487 O PHE A 95 -8.716 -7.634 -41.386 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.364 -7.013 -39.464 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.966 -6.458 -39.558 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.419 -6.141 -40.796 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.202 -6.233 -38.422 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.146 -5.616 -40.894 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.932 -5.707 -38.526 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.408 -5.401 -39.756 1.00 0.00 C ATOM 0 H PHE A 95 -7.237 -4.963 -38.321 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.024 -5.715 -41.013 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.608 -7.185 -38.416 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.396 -7.982 -39.962 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.997 -6.308 -41.693 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.605 -6.472 -37.449 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.732 -5.375 -41.862 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.347 -5.535 -37.635 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.412 -4.990 -39.830 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.692 -6.727 -39.624 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.986 -7.346 -39.888 1.00 0.00 C ATOM 1506 C ARG A 96 -11.727 -6.706 -41.069 1.00 0.00 C ATOM 1507 O ARG A 96 -12.780 -7.179 -41.469 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.843 -7.389 -38.624 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.224 -6.055 -37.989 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.477 -5.401 -38.567 1.00 0.00 C ATOM 1511 NE ARG A 96 -13.953 -4.370 -37.642 1.00 0.00 N ATOM 1512 CZ ARG A 96 -14.653 -3.273 -37.945 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.058 -3.030 -39.194 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -14.949 -2.422 -36.975 1.00 0.00 N ATOM 0 H ARG A 96 -9.661 -6.162 -38.775 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.788 -8.375 -40.190 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.762 -7.925 -38.858 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.312 -7.978 -37.877 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.372 -6.207 -36.920 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.388 -5.365 -38.100 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.256 -4.960 -39.539 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.253 -6.150 -38.726 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.725 -4.504 -36.657 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.834 -3.689 -39.940 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.591 -2.186 -39.402 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.644 -2.611 -36.020 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.482 -1.578 -37.182 1.00 0.00 H new ATOM 1528 N GLN A 97 -11.202 -5.619 -41.589 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.798 -4.986 -42.756 1.00 0.00 C ATOM 1530 C GLN A 97 -11.033 -5.435 -43.980 1.00 0.00 C ATOM 1531 O GLN A 97 -11.609 -5.770 -45.015 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.684 -3.475 -42.666 1.00 0.00 C ATOM 1533 CG GLN A 97 -12.137 -2.890 -41.362 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.876 -1.423 -41.301 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.681 -1.085 -40.977 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.719 -0.606 -41.632 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.369 -5.153 -41.229 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.850 -5.266 -42.811 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.645 -3.192 -42.834 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.270 -3.031 -43.471 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.203 -3.077 -41.229 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.621 -3.387 -40.540 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.658 -0.915 -41.882 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.485 0.386 -41.658 1.00 0.00 H new ATOM 1545 N PHE A 98 -9.727 -5.446 -43.846 1.00 0.00 N ATOM 1546 CA PHE A 98 -8.852 -5.787 -44.930 1.00 0.00 C ATOM 1547 C PHE A 98 -8.346 -7.179 -44.719 1.00 0.00 C ATOM 1548 O PHE A 98 -7.365 -7.403 -44.000 1.00 0.00 O ATOM 1549 CB PHE A 98 -7.687 -4.801 -45.027 1.00 0.00 C ATOM 1550 CG PHE A 98 -8.126 -3.366 -45.102 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -8.452 -2.781 -46.313 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -8.221 -2.609 -43.952 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -8.867 -1.462 -46.365 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -8.631 -1.300 -43.997 1.00 0.00 C ATOM 1555 CZ PHE A 98 -8.956 -0.721 -45.204 1.00 0.00 C ATOM 0 H PHE A 98 -9.245 -5.217 -42.977 1.00 0.00 H new ATOM 0 HA PHE A 98 -9.404 -5.733 -45.869 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.038 -4.930 -44.161 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.092 -5.038 -45.909 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.382 -3.358 -47.223 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -7.969 -3.054 -43.001 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.121 -1.013 -47.314 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -8.699 -0.724 -43.086 1.00 0.00 H new ATOM 0 HZ PHE A 98 -9.279 0.309 -45.242 1.00 0.00 H new ATOM 1565 N TYR A 99 -9.038 -8.105 -45.304 1.00 0.00 N ATOM 1566 CA TYR A 99 -8.729 -9.498 -45.156 1.00 0.00 C ATOM 1567 C TYR A 99 -7.563 -9.897 -46.028 1.00 0.00 C ATOM 1568 O TYR A 99 -6.922 -9.051 -46.672 1.00 0.00 O ATOM 1569 CB TYR A 99 -9.944 -10.367 -45.473 1.00 0.00 C ATOM 1570 CG TYR A 99 -11.050 -10.294 -44.455 1.00 0.00 C ATOM 1571 CD1 TYR A 99 -10.980 -11.044 -43.291 1.00 0.00 C ATOM 1572 CD2 TYR A 99 -12.167 -9.502 -44.660 1.00 0.00 C ATOM 1573 CE1 TYR A 99 -11.992 -11.004 -42.358 1.00 0.00 C ATOM 1574 CE2 TYR A 99 -13.184 -9.462 -43.733 1.00 0.00 C ATOM 1575 CZ TYR A 99 -13.091 -10.215 -42.584 1.00 0.00 C ATOM 1576 OH TYR A 99 -14.110 -10.182 -41.660 1.00 0.00 O ATOM 0 H TYR A 99 -9.841 -7.917 -45.904 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.449 -9.659 -44.115 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.342 -10.072 -46.444 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.619 -11.404 -45.563 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.118 -11.670 -43.113 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.241 -8.908 -45.559 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -11.921 -11.590 -41.454 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -14.051 -8.842 -43.906 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.813 -9.574 -41.970 1.00 0.00 H new ATOM 1586 N LYS A 100 -7.289 -11.172 -46.044 1.00 0.00 N ATOM 1587 CA LYS A 100 -6.228 -11.714 -46.797 1.00 0.00 C ATOM 1588 C LYS A 100 -6.609 -11.669 -48.259 1.00 0.00 C ATOM 1589 O LYS A 100 -5.928 -10.993 -49.040 1.00 0.00 O ATOM 1590 CB LYS A 100 -5.980 -13.138 -46.357 1.00 0.00 C ATOM 1591 CG LYS A 100 -4.536 -13.472 -45.971 1.00 0.00 C ATOM 1592 CD LYS A 100 -4.187 -13.058 -44.524 1.00 0.00 C ATOM 1593 CE LYS A 100 -4.183 -11.543 -44.268 1.00 0.00 C ATOM 1594 NZ LYS A 100 -3.908 -11.237 -42.840 1.00 0.00 N ATOM 0 H LYS A 100 -7.818 -11.866 -45.517 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.314 -11.140 -46.643 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.624 -13.352 -45.504 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.285 -13.806 -47.162 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.374 -14.544 -46.086 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.856 -12.971 -46.660 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.901 -13.525 -43.846 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.204 -13.457 -44.275 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.429 -11.068 -44.896 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.147 -11.121 -44.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.547 -10.265 -42.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.786 -11.329 -42.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.198 -11.903 -42.473 1.00 0.00 H new TER 1608 LYS A 100