USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1060 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 128 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 THR OG1 : rot 170:sc= 0 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 169:sc= -0.0218 (180deg=-0.183) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.0289 X(o=0.83,f=0.6) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0.073 USER MOD Set 3.3: A 114 THR OG1 : rot -82:sc= 0.724 USER MOD Set 4.1: A 14 SER OG : rot 180:sc= 0.012 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 15 SER OG : rot 126:sc= 0.0658 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -158:sc= -0.159 (180deg=-0.741) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 45 MET CE :methyl -132:sc= -1.05 (180deg=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -2:sc= 0.574 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.889 K(o=-0.89,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= -0.0317 (180deg=-0.244) USER MOD Single : A 76 TYR OH : rot 29:sc= 0.00599 USER MOD Single : A 80 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.32) USER MOD Single : A 83 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.26) USER MOD Single : A 89 ASN : amide:sc= -1.05 K(o=-1,f=-1.9) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -85:sc= 0.469 USER MOD Single : A 95 THR OG1 : rot 73:sc= 1.07 USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.0235 USER MOD Single : A 98 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.012) USER MOD Single : A 99 HIS : no HD1:sc= -0.0274 X(o=-0.027,f=-0.0012) USER MOD Single : A 100 HIS : no HE2:sc= -0.542 K(o=-0.54,f=-2.2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 137:sc= -0.193 (180deg=-1.6) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -126:sc= -1.11 (180deg=-1.46) USER MOD Single : A 124 MET CE :methyl -156:sc= -0.082 (180deg=-0.938) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.908 22.810 17.554 1.00 0.00 N ATOM 2 CA MET A 1 31.554 22.274 16.214 1.00 0.00 C ATOM 3 C MET A 1 32.058 20.844 16.050 1.00 0.00 C ATOM 4 O MET A 1 33.260 20.586 16.128 1.00 0.00 O ATOM 5 CB MET A 1 32.146 23.166 15.120 1.00 0.00 C ATOM 6 CG MET A 1 31.806 22.713 13.709 1.00 0.00 C ATOM 7 SD MET A 1 30.031 22.588 13.425 1.00 0.00 S ATOM 8 CE MET A 1 29.999 22.145 11.691 1.00 0.00 C ATOM 0 H1 MET A 1 31.555 23.784 17.643 1.00 0.00 H new ATOM 0 H2 MET A 1 31.476 22.217 18.291 1.00 0.00 H new ATOM 0 H3 MET A 1 32.942 22.805 17.668 1.00 0.00 H new ATOM 0 HA MET A 1 30.468 22.267 16.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.786 24.185 15.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.230 23.192 15.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.235 23.414 12.994 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.268 21.744 13.522 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.966 22.031 11.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.480 22.929 11.106 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.531 21.205 11.546 1.00 0.00 H new ATOM 18 N ASP A 2 31.131 19.918 15.825 1.00 0.00 N ATOM 19 CA ASP A 2 31.478 18.512 15.654 1.00 0.00 C ATOM 20 C ASP A 2 31.261 18.065 14.212 1.00 0.00 C ATOM 21 O ASP A 2 30.520 18.697 13.460 1.00 0.00 O ATOM 22 CB ASP A 2 30.646 17.643 16.599 1.00 0.00 C ATOM 23 CG ASP A 2 29.158 17.764 16.333 1.00 0.00 C ATOM 24 OD1 ASP A 2 28.637 16.985 15.508 1.00 0.00 O ATOM 25 OD2 ASP A 2 28.515 18.640 16.950 1.00 0.00 O ATOM 0 H ASP A 2 30.133 20.117 15.757 1.00 0.00 H new ATOM 0 HA ASP A 2 32.535 18.394 15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 2 30.948 16.601 16.492 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.853 17.930 17.630 1.00 0.00 H new ATOM 30 N ALA A 3 31.915 16.970 13.834 1.00 0.00 N ATOM 31 CA ALA A 3 31.796 16.432 12.484 1.00 0.00 C ATOM 32 C ALA A 3 31.586 14.922 12.513 1.00 0.00 C ATOM 33 O ALA A 3 32.352 14.192 13.143 1.00 0.00 O ATOM 34 CB ALA A 3 33.032 16.779 11.668 1.00 0.00 C ATOM 0 H ALA A 3 32.534 16.438 14.446 1.00 0.00 H new ATOM 0 HA ALA A 3 30.924 16.885 12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 3 32.930 16.371 10.662 1.00 0.00 H new ATOM 0 HB2 ALA A 3 33.138 17.862 11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 3 33.914 16.352 12.145 1.00 0.00 H new ATOM 40 N LEU A 4 30.546 14.460 11.828 1.00 0.00 N ATOM 41 CA LEU A 4 30.234 13.037 11.776 1.00 0.00 C ATOM 42 C LEU A 4 31.158 12.313 10.801 1.00 0.00 C ATOM 43 O LEU A 4 31.784 12.939 9.946 1.00 0.00 O ATOM 44 CB LEU A 4 28.775 12.829 11.360 1.00 0.00 C ATOM 45 CG LEU A 4 27.736 13.402 12.327 1.00 0.00 C ATOM 46 CD1 LEU A 4 26.352 13.365 11.701 1.00 0.00 C ATOM 47 CD2 LEU A 4 27.748 12.634 13.640 1.00 0.00 C ATOM 0 H LEU A 4 29.904 15.051 11.300 1.00 0.00 H new ATOM 0 HA LEU A 4 30.386 12.621 12.772 1.00 0.00 H new ATOM 0 HB2 LEU A 4 28.625 13.282 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 4 28.594 11.760 11.248 1.00 0.00 H new ATOM 0 HG LEU A 4 27.994 14.441 12.535 1.00 0.00 H new ATOM 0 HD11 LEU A 4 25.625 13.776 12.401 1.00 0.00 H new ATOM 0 HD12 LEU A 4 26.350 13.958 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 4 26.087 12.334 11.465 1.00 0.00 H new ATOM 0 HD21 LEU A 4 27.003 13.056 14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 4 27.515 11.586 13.451 1.00 0.00 H new ATOM 0 HD23 LEU A 4 28.735 12.709 14.097 1.00 0.00 H new ATOM 59 N GLU A 5 31.238 10.993 10.938 1.00 0.00 N ATOM 60 CA GLU A 5 32.083 10.183 10.068 1.00 0.00 C ATOM 61 C GLU A 5 31.282 9.635 8.891 1.00 0.00 C ATOM 62 O GLU A 5 30.076 9.866 8.787 1.00 0.00 O ATOM 63 CB GLU A 5 32.708 9.030 10.855 1.00 0.00 C ATOM 64 CG GLU A 5 31.691 8.170 11.587 1.00 0.00 C ATOM 65 CD GLU A 5 32.337 7.061 12.394 1.00 0.00 C ATOM 66 OE1 GLU A 5 32.746 7.326 13.544 1.00 0.00 O ATOM 67 OE2 GLU A 5 32.434 5.929 11.875 1.00 0.00 O ATOM 0 H GLU A 5 30.728 10.462 11.643 1.00 0.00 H new ATOM 0 HA GLU A 5 32.878 10.820 9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 5 33.278 8.401 10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 5 33.415 9.436 11.578 1.00 0.00 H new ATOM 0 HG2 GLU A 5 31.099 8.800 12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 5 31.002 7.734 10.864 1.00 0.00 H new ATOM 74 N GLY A 6 31.959 8.909 8.009 1.00 0.00 N ATOM 75 CA GLY A 6 31.295 8.339 6.851 1.00 0.00 C ATOM 76 C GLY A 6 32.030 7.137 6.294 1.00 0.00 C ATOM 77 O GLY A 6 33.256 7.147 6.183 1.00 0.00 O ATOM 0 H GLY A 6 32.956 8.705 8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 6 30.281 8.046 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 6 31.208 9.100 6.075 1.00 0.00 H new ATOM 81 N GLU A 7 31.278 6.098 5.943 1.00 0.00 N ATOM 82 CA GLU A 7 31.864 4.880 5.395 1.00 0.00 C ATOM 83 C GLU A 7 31.156 4.465 4.110 1.00 0.00 C ATOM 84 O GLU A 7 31.520 3.468 3.485 1.00 0.00 O ATOM 85 CB GLU A 7 31.792 3.748 6.423 1.00 0.00 C ATOM 86 CG GLU A 7 32.559 4.038 7.702 1.00 0.00 C ATOM 87 CD GLU A 7 32.490 2.895 8.696 1.00 0.00 C ATOM 88 OE1 GLU A 7 33.366 2.006 8.640 1.00 0.00 O ATOM 89 OE2 GLU A 7 31.560 2.889 9.530 1.00 0.00 O ATOM 0 H GLU A 7 30.262 6.076 6.028 1.00 0.00 H new ATOM 0 HA GLU A 7 32.909 5.082 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 7 30.747 3.559 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 7 32.183 2.835 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 7 33.602 4.240 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 7 32.159 4.941 8.164 1.00 0.00 H new ATOM 96 N SER A 8 30.143 5.237 3.720 1.00 0.00 N ATOM 97 CA SER A 8 29.382 4.954 2.506 1.00 0.00 C ATOM 98 C SER A 8 28.789 3.549 2.542 1.00 0.00 C ATOM 99 O SER A 8 28.823 2.876 3.572 1.00 0.00 O ATOM 100 CB SER A 8 30.273 5.114 1.271 1.00 0.00 C ATOM 101 OG SER A 8 30.776 6.435 1.171 1.00 0.00 O ATOM 0 H SER A 8 29.831 6.064 4.228 1.00 0.00 H new ATOM 0 HA SER A 8 28.562 5.669 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 8 31.103 4.409 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.704 4.870 0.374 1.00 0.00 H new ATOM 0 HG SER A 8 31.343 6.510 0.375 1.00 0.00 H new ATOM 107 N PHE A 9 28.242 3.115 1.411 1.00 0.00 N ATOM 108 CA PHE A 9 27.642 1.790 1.310 1.00 0.00 C ATOM 109 C PHE A 9 28.701 0.701 1.441 1.00 0.00 C ATOM 110 O PHE A 9 29.885 0.939 1.202 1.00 0.00 O ATOM 111 CB PHE A 9 26.896 1.643 -0.018 1.00 0.00 C ATOM 112 CG PHE A 9 27.688 2.101 -1.208 1.00 0.00 C ATOM 113 CD1 PHE A 9 28.607 1.259 -1.814 1.00 0.00 C ATOM 114 CD2 PHE A 9 27.513 3.377 -1.722 1.00 0.00 C ATOM 115 CE1 PHE A 9 29.335 1.680 -2.910 1.00 0.00 C ATOM 116 CE2 PHE A 9 28.238 3.803 -2.818 1.00 0.00 C ATOM 117 CZ PHE A 9 29.151 2.954 -3.412 1.00 0.00 C ATOM 0 H PHE A 9 28.202 3.662 0.551 1.00 0.00 H new ATOM 0 HA PHE A 9 26.931 1.677 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 9 26.621 0.597 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 9 25.968 2.213 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 9 28.756 0.263 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 9 26.802 4.046 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 9 30.047 1.014 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 9 28.091 4.799 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 9 29.720 3.285 -4.268 1.00 0.00 H new ATOM 127 N ALA A 10 28.265 -0.495 1.823 1.00 0.00 N ATOM 128 CA ALA A 10 29.172 -1.622 1.993 1.00 0.00 C ATOM 129 C ALA A 10 29.340 -2.398 0.692 1.00 0.00 C ATOM 130 O ALA A 10 28.732 -2.063 -0.324 1.00 0.00 O ATOM 131 CB ALA A 10 28.665 -2.541 3.095 1.00 0.00 C ATOM 0 H ALA A 10 27.287 -0.708 2.021 1.00 0.00 H new ATOM 0 HA ALA A 10 30.149 -1.230 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 10 29.351 -3.380 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.604 -1.987 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.676 -2.915 2.830 1.00 0.00 H new ATOM 137 N LEU A 11 30.172 -3.435 0.732 1.00 0.00 N ATOM 138 CA LEU A 11 30.422 -4.262 -0.442 1.00 0.00 C ATOM 139 C LEU A 11 29.167 -5.031 -0.840 1.00 0.00 C ATOM 140 O LEU A 11 28.960 -5.336 -2.015 1.00 0.00 O ATOM 141 CB LEU A 11 31.566 -5.241 -0.166 1.00 0.00 C ATOM 142 CG LEU A 11 32.883 -4.593 0.267 1.00 0.00 C ATOM 143 CD1 LEU A 11 33.888 -5.655 0.683 1.00 0.00 C ATOM 144 CD2 LEU A 11 33.447 -3.733 -0.853 1.00 0.00 C ATOM 0 H LEU A 11 30.684 -3.722 1.566 1.00 0.00 H new ATOM 0 HA LEU A 11 30.703 -3.606 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.249 -5.937 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.746 -5.828 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 11 32.686 -3.952 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 11 34.818 -5.176 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 11 33.486 -6.230 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 11 34.081 -6.322 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 11 34.383 -3.280 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 11 33.629 -4.353 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.733 -2.949 -1.105 1.00 0.00 H new ATOM 156 N SER A 12 28.332 -5.338 0.148 1.00 0.00 N ATOM 157 CA SER A 12 27.096 -6.070 -0.096 1.00 0.00 C ATOM 158 C SER A 12 25.963 -5.116 -0.461 1.00 0.00 C ATOM 159 O SER A 12 26.027 -3.922 -0.170 1.00 0.00 O ATOM 160 CB SER A 12 26.709 -6.888 1.136 1.00 0.00 C ATOM 161 OG SER A 12 25.508 -7.606 0.916 1.00 0.00 O ATOM 0 H SER A 12 28.490 -5.091 1.125 1.00 0.00 H new ATOM 0 HA SER A 12 27.264 -6.746 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 12 27.512 -7.583 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.588 -6.225 1.993 1.00 0.00 H new ATOM 0 HG SER A 12 25.284 -8.122 1.718 1.00 0.00 H new ATOM 167 N PHE A 13 24.928 -5.651 -1.098 1.00 0.00 N ATOM 168 CA PHE A 13 23.782 -4.848 -1.503 1.00 0.00 C ATOM 169 C PHE A 13 22.480 -5.469 -1.007 1.00 0.00 C ATOM 170 O PHE A 13 22.137 -6.593 -1.371 1.00 0.00 O ATOM 171 CB PHE A 13 23.748 -4.703 -3.026 1.00 0.00 C ATOM 172 CG PHE A 13 22.661 -3.792 -3.522 1.00 0.00 C ATOM 173 CD1 PHE A 13 22.847 -2.420 -3.544 1.00 0.00 C ATOM 174 CD2 PHE A 13 21.455 -4.309 -3.966 1.00 0.00 C ATOM 175 CE1 PHE A 13 21.849 -1.578 -3.999 1.00 0.00 C ATOM 176 CE2 PHE A 13 20.453 -3.473 -4.423 1.00 0.00 C ATOM 177 CZ PHE A 13 20.651 -2.106 -4.439 1.00 0.00 C ATOM 0 H PHE A 13 24.859 -6.638 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 13 23.884 -3.860 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 13 24.711 -4.324 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 13 23.616 -5.688 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 13 23.782 -2.003 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 13 21.296 -5.377 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 13 22.006 -0.510 -4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 13 19.517 -3.888 -4.767 1.00 0.00 H new ATOM 0 HZ PHE A 13 19.870 -1.451 -4.795 1.00 0.00 H new ATOM 187 N SER A 14 21.762 -4.727 -0.170 1.00 0.00 N ATOM 188 CA SER A 14 20.496 -5.199 0.382 1.00 0.00 C ATOM 189 C SER A 14 19.429 -4.112 0.295 1.00 0.00 C ATOM 190 O SER A 14 18.339 -4.344 -0.229 1.00 0.00 O ATOM 191 CB SER A 14 20.681 -5.633 1.837 1.00 0.00 C ATOM 192 OG SER A 14 19.466 -6.116 2.385 1.00 0.00 O ATOM 0 H SER A 14 22.035 -3.795 0.142 1.00 0.00 H new ATOM 0 HA SER A 14 20.167 -6.056 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 14 21.443 -6.410 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 14 21.040 -4.791 2.428 1.00 0.00 H new ATOM 0 HG SER A 14 19.612 -6.388 3.315 1.00 0.00 H new ATOM 198 N SER A 15 19.761 -2.929 0.820 1.00 0.00 N ATOM 199 CA SER A 15 18.855 -1.776 0.816 1.00 0.00 C ATOM 200 C SER A 15 17.730 -1.937 1.839 1.00 0.00 C ATOM 201 O SER A 15 17.339 -0.971 2.495 1.00 0.00 O ATOM 202 CB SER A 15 18.269 -1.541 -0.579 1.00 0.00 C ATOM 203 OG SER A 15 19.293 -1.309 -1.529 1.00 0.00 O ATOM 0 H SER A 15 20.663 -2.743 1.259 1.00 0.00 H new ATOM 0 HA SER A 15 19.446 -0.905 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.679 -2.407 -0.880 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.592 -0.687 -0.553 1.00 0.00 H new ATOM 0 HG SER A 15 19.197 -1.939 -2.274 1.00 0.00 H new ATOM 209 N ALA A 16 17.213 -3.153 1.974 1.00 0.00 N ATOM 210 CA ALA A 16 16.131 -3.421 2.913 1.00 0.00 C ATOM 211 C ALA A 16 16.661 -3.664 4.323 1.00 0.00 C ATOM 212 O ALA A 16 15.886 -3.823 5.266 1.00 0.00 O ATOM 213 CB ALA A 16 15.313 -4.615 2.445 1.00 0.00 C ATOM 0 H ALA A 16 17.525 -3.968 1.446 1.00 0.00 H new ATOM 0 HA ALA A 16 15.491 -2.539 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.508 -4.805 3.155 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.889 -4.403 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.955 -5.493 2.381 1.00 0.00 H new ATOM 219 N SER A 17 17.984 -3.688 4.463 1.00 0.00 N ATOM 220 CA SER A 17 18.608 -3.919 5.762 1.00 0.00 C ATOM 221 C SER A 17 19.505 -2.753 6.170 1.00 0.00 C ATOM 222 O SER A 17 20.416 -2.918 6.982 1.00 0.00 O ATOM 223 CB SER A 17 19.423 -5.214 5.731 1.00 0.00 C ATOM 224 OG SER A 17 18.601 -6.327 5.426 1.00 0.00 O ATOM 0 H SER A 17 18.642 -3.551 3.696 1.00 0.00 H new ATOM 0 HA SER A 17 17.812 -4.006 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 17 20.217 -5.130 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 17 19.905 -5.367 6.697 1.00 0.00 H new ATOM 0 HG SER A 17 19.146 -7.142 5.411 1.00 0.00 H new ATOM 230 N ASP A 18 19.245 -1.573 5.613 1.00 0.00 N ATOM 231 CA ASP A 18 20.038 -0.391 5.936 1.00 0.00 C ATOM 232 C ASP A 18 19.195 0.881 5.860 1.00 0.00 C ATOM 233 O ASP A 18 17.969 0.821 5.766 1.00 0.00 O ATOM 234 CB ASP A 18 21.247 -0.284 5.004 1.00 0.00 C ATOM 235 CG ASP A 18 20.868 -0.408 3.543 1.00 0.00 C ATOM 236 OD1 ASP A 18 20.786 -1.550 3.048 1.00 0.00 O ATOM 237 OD2 ASP A 18 20.660 0.638 2.894 1.00 0.00 O ATOM 0 H ASP A 18 18.496 -1.410 4.940 1.00 0.00 H new ATOM 0 HA ASP A 18 20.393 -0.499 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 18 21.743 0.673 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 18 21.966 -1.063 5.257 1.00 0.00 H new ATOM 242 N ALA A 19 19.867 2.029 5.906 1.00 0.00 N ATOM 243 CA ALA A 19 19.193 3.324 5.859 1.00 0.00 C ATOM 244 C ALA A 19 18.320 3.471 4.615 1.00 0.00 C ATOM 245 O ALA A 19 17.372 4.255 4.607 1.00 0.00 O ATOM 246 CB ALA A 19 20.217 4.447 5.917 1.00 0.00 C ATOM 0 H ALA A 19 20.883 2.088 5.976 1.00 0.00 H new ATOM 0 HA ALA A 19 18.537 3.385 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.705 5.409 5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.786 4.373 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.895 4.365 5.067 1.00 0.00 H new ATOM 252 N GLU A 20 18.644 2.720 3.566 1.00 0.00 N ATOM 253 CA GLU A 20 17.882 2.784 2.323 1.00 0.00 C ATOM 254 C GLU A 20 16.409 2.468 2.569 1.00 0.00 C ATOM 255 O GLU A 20 15.526 3.182 2.094 1.00 0.00 O ATOM 256 CB GLU A 20 18.459 1.816 1.288 1.00 0.00 C ATOM 257 CG GLU A 20 17.800 1.921 -0.078 1.00 0.00 C ATOM 258 CD GLU A 20 17.984 3.287 -0.711 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.148 4.179 -0.451 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.961 3.465 -1.466 1.00 0.00 O ATOM 0 H GLU A 20 19.425 2.064 3.552 1.00 0.00 H new ATOM 0 HA GLU A 20 17.958 3.800 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.527 2.005 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.351 0.796 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.217 1.160 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.735 1.710 0.019 1.00 0.00 H new ATOM 267 N PHE A 21 16.152 1.396 3.315 1.00 0.00 N ATOM 268 CA PHE A 21 14.785 0.991 3.624 1.00 0.00 C ATOM 269 C PHE A 21 14.058 2.090 4.392 1.00 0.00 C ATOM 270 O PHE A 21 12.907 2.412 4.098 1.00 0.00 O ATOM 271 CB PHE A 21 14.785 -0.306 4.441 1.00 0.00 C ATOM 272 CG PHE A 21 13.413 -0.880 4.670 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.621 -0.424 5.713 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.915 -1.877 3.844 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.361 -0.950 5.926 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.656 -2.406 4.054 1.00 0.00 C ATOM 277 CZ PHE A 21 10.878 -1.943 5.097 1.00 0.00 C ATOM 0 H PHE A 21 16.871 0.794 3.715 1.00 0.00 H new ATOM 0 HA PHE A 21 14.260 0.818 2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.398 -1.047 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.255 -0.116 5.406 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.993 0.351 6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.519 -2.244 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.754 -0.584 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.280 -3.181 3.403 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.894 -2.357 5.264 1.00 0.00 H new ATOM 287 N ASP A 22 14.740 2.661 5.381 1.00 0.00 N ATOM 288 CA ASP A 22 14.164 3.726 6.193 1.00 0.00 C ATOM 289 C ASP A 22 13.779 4.919 5.326 1.00 0.00 C ATOM 290 O ASP A 22 12.768 5.578 5.573 1.00 0.00 O ATOM 291 CB ASP A 22 15.154 4.163 7.276 1.00 0.00 C ATOM 292 CG ASP A 22 14.613 5.289 8.135 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.875 4.997 9.101 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.927 6.462 7.845 1.00 0.00 O ATOM 0 H ASP A 22 15.693 2.403 5.639 1.00 0.00 H new ATOM 0 HA ASP A 22 13.263 3.341 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.394 3.310 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.084 4.483 6.806 1.00 0.00 H new ATOM 299 N ALA A 23 14.590 5.191 4.308 1.00 0.00 N ATOM 300 CA ALA A 23 14.334 6.302 3.400 1.00 0.00 C ATOM 301 C ALA A 23 13.011 6.112 2.669 1.00 0.00 C ATOM 302 O ALA A 23 12.208 7.040 2.566 1.00 0.00 O ATOM 303 CB ALA A 23 15.474 6.445 2.404 1.00 0.00 C ATOM 0 H ALA A 23 15.431 4.656 4.092 1.00 0.00 H new ATOM 0 HA ALA A 23 14.268 7.216 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.268 7.279 1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.404 6.632 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.568 5.527 1.824 1.00 0.00 H new ATOM 309 N VAL A 24 12.790 4.903 2.161 1.00 0.00 N ATOM 310 CA VAL A 24 11.562 4.588 1.440 1.00 0.00 C ATOM 311 C VAL A 24 10.341 4.817 2.322 1.00 0.00 C ATOM 312 O VAL A 24 9.354 5.413 1.891 1.00 0.00 O ATOM 313 CB VAL A 24 11.556 3.130 0.942 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.324 2.861 0.089 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.826 2.825 0.163 1.00 0.00 C ATOM 0 H VAL A 24 13.446 4.125 2.236 1.00 0.00 H new ATOM 0 HA VAL A 24 11.520 5.254 0.578 1.00 0.00 H new ATOM 0 HB VAL A 24 11.522 2.471 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.337 1.826 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.426 3.035 0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.325 3.528 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.803 1.791 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.894 3.491 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.693 2.974 0.807 1.00 0.00 H new ATOM 325 N VAL A 25 10.416 4.338 3.561 1.00 0.00 N ATOM 326 CA VAL A 25 9.319 4.492 4.508 1.00 0.00 C ATOM 327 C VAL A 25 8.972 5.965 4.698 1.00 0.00 C ATOM 328 O VAL A 25 7.804 6.323 4.854 1.00 0.00 O ATOM 329 CB VAL A 25 9.666 3.868 5.875 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.522 4.054 6.862 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.003 2.394 5.716 1.00 0.00 C ATOM 0 H VAL A 25 11.226 3.840 3.931 1.00 0.00 H new ATOM 0 HA VAL A 25 8.457 3.969 4.093 1.00 0.00 H new ATOM 0 HB VAL A 25 10.542 4.381 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.790 3.606 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.331 5.118 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.625 3.572 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.245 1.969 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.146 1.868 5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.859 2.286 5.050 1.00 0.00 H new ATOM 341 N GLY A 26 9.996 6.814 4.681 1.00 0.00 N ATOM 342 CA GLY A 26 9.780 8.239 4.844 1.00 0.00 C ATOM 343 C GLY A 26 8.933 8.820 3.729 1.00 0.00 C ATOM 344 O GLY A 26 7.947 9.512 3.987 1.00 0.00 O ATOM 0 H GLY A 26 10.971 6.540 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.294 8.424 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.742 8.750 4.871 1.00 0.00 H new ATOM 348 N TYR A 27 9.318 8.536 2.487 1.00 0.00 N ATOM 349 CA TYR A 27 8.583 9.028 1.327 1.00 0.00 C ATOM 350 C TYR A 27 7.127 8.582 1.383 1.00 0.00 C ATOM 351 O TYR A 27 6.231 9.293 0.929 1.00 0.00 O ATOM 352 CB TYR A 27 9.225 8.529 0.030 1.00 0.00 C ATOM 353 CG TYR A 27 10.581 9.138 -0.256 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.713 10.499 -0.500 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.726 8.351 -0.285 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.949 11.059 -0.764 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.964 8.904 -0.548 1.00 0.00 C ATOM 358 CZ TYR A 27 13.071 10.258 -0.787 1.00 0.00 C ATOM 359 OH TYR A 27 14.303 10.813 -1.049 1.00 0.00 O ATOM 0 H TYR A 27 10.134 7.968 2.259 1.00 0.00 H new ATOM 0 HA TYR A 27 8.620 10.117 1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.328 7.445 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.556 8.748 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.836 11.130 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.647 7.290 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.035 12.119 -0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.844 8.279 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 27 14.988 10.113 -1.027 1.00 0.00 H new ATOM 369 N LEU A 28 6.899 7.399 1.946 1.00 0.00 N ATOM 370 CA LEU A 28 5.553 6.855 2.064 1.00 0.00 C ATOM 371 C LEU A 28 4.702 7.708 2.999 1.00 0.00 C ATOM 372 O LEU A 28 3.573 8.066 2.668 1.00 0.00 O ATOM 373 CB LEU A 28 5.601 5.412 2.573 1.00 0.00 C ATOM 374 CG LEU A 28 6.268 4.408 1.630 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.391 3.050 2.302 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.485 4.289 0.330 1.00 0.00 C ATOM 0 H LEU A 28 7.631 6.799 2.328 1.00 0.00 H new ATOM 0 HA LEU A 28 5.098 6.866 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.130 5.398 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.582 5.079 2.769 1.00 0.00 H new ATOM 0 HG LEU A 28 7.269 4.771 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.867 2.347 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.995 3.144 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.399 2.683 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.976 3.570 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.472 3.950 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.446 5.261 -0.161 1.00 0.00 H new ATOM 388 N GLU A 29 5.253 8.030 4.168 1.00 0.00 N ATOM 389 CA GLU A 29 4.541 8.837 5.155 1.00 0.00 C ATOM 390 C GLU A 29 4.074 10.159 4.551 1.00 0.00 C ATOM 391 O GLU A 29 2.948 10.596 4.792 1.00 0.00 O ATOM 392 CB GLU A 29 5.433 9.105 6.370 1.00 0.00 C ATOM 393 CG GLU A 29 5.841 7.843 7.112 1.00 0.00 C ATOM 394 CD GLU A 29 6.598 8.138 8.392 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.819 8.395 8.314 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.972 8.111 9.472 1.00 0.00 O ATOM 0 H GLU A 29 6.189 7.744 4.454 1.00 0.00 H new ATOM 0 HA GLU A 29 3.663 8.276 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.330 9.631 6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.907 9.768 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.950 7.260 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.462 7.228 6.461 1.00 0.00 H new ATOM 403 N ASP A 30 4.943 10.792 3.768 1.00 0.00 N ATOM 404 CA ASP A 30 4.613 12.063 3.130 1.00 0.00 C ATOM 405 C ASP A 30 3.370 11.928 2.255 1.00 0.00 C ATOM 406 O ASP A 30 2.555 12.847 2.173 1.00 0.00 O ATOM 407 CB ASP A 30 5.790 12.561 2.289 1.00 0.00 C ATOM 408 CG ASP A 30 7.002 12.904 3.133 1.00 0.00 C ATOM 409 OD1 ASP A 30 7.035 14.018 3.698 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.918 12.061 3.228 1.00 0.00 O ATOM 0 H ASP A 30 5.880 10.446 3.560 1.00 0.00 H new ATOM 0 HA ASP A 30 4.406 12.789 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.062 11.796 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.483 13.442 1.725 1.00 0.00 H new ATOM 415 N ILE A 31 3.232 10.777 1.604 1.00 0.00 N ATOM 416 CA ILE A 31 2.089 10.522 0.736 1.00 0.00 C ATOM 417 C ILE A 31 0.832 10.239 1.550 1.00 0.00 C ATOM 418 O ILE A 31 -0.251 10.726 1.227 1.00 0.00 O ATOM 419 CB ILE A 31 2.356 9.334 -0.211 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.632 9.580 -1.019 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.166 9.113 -1.136 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.037 8.412 -1.894 1.00 0.00 C ATOM 0 H ILE A 31 3.898 10.007 1.662 1.00 0.00 H new ATOM 0 HA ILE A 31 1.936 11.423 0.141 1.00 0.00 H new ATOM 0 HB ILE A 31 2.494 8.433 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.489 10.460 -1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.447 9.807 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.371 8.271 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.278 8.899 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.997 10.010 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.950 8.662 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.213 7.535 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.240 8.197 -2.606 1.00 0.00 H new ATOM 434 N ILE A 32 0.982 9.450 2.609 1.00 0.00 N ATOM 435 CA ILE A 32 -0.141 9.097 3.471 1.00 0.00 C ATOM 436 C ILE A 32 -0.788 10.343 4.068 1.00 0.00 C ATOM 437 O ILE A 32 -1.984 10.353 4.362 1.00 0.00 O ATOM 438 CB ILE A 32 0.306 8.157 4.610 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.956 6.897 4.032 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.878 7.791 5.495 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.627 6.026 5.073 1.00 0.00 C ATOM 0 H ILE A 32 1.873 9.042 2.892 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.873 8.579 2.851 1.00 0.00 H new ATOM 0 HB ILE A 32 1.042 8.677 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.196 6.311 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.694 7.190 3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.544 7.128 6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.301 8.697 5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.637 7.286 4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.065 5.153 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.411 6.595 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.889 5.702 5.807 1.00 0.00 H new ATOM 453 N MET A 33 0.007 11.394 4.237 1.00 0.00 N ATOM 454 CA MET A 33 -0.483 12.641 4.805 1.00 0.00 C ATOM 455 C MET A 33 -0.904 13.614 3.704 1.00 0.00 C ATOM 456 O MET A 33 -1.697 14.526 3.942 1.00 0.00 O ATOM 457 CB MET A 33 0.603 13.259 5.695 1.00 0.00 C ATOM 458 CG MET A 33 0.514 14.769 5.824 1.00 0.00 C ATOM 459 SD MET A 33 1.775 15.451 6.920 1.00 0.00 S ATOM 460 CE MET A 33 1.334 14.672 8.472 1.00 0.00 C ATOM 0 H MET A 33 0.996 11.405 3.987 1.00 0.00 H new ATOM 0 HA MET A 33 -1.364 12.432 5.412 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.539 12.816 6.689 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.581 12.997 5.292 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.614 15.220 4.837 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.473 15.040 6.200 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.736 15.257 9.300 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.249 14.620 8.558 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.749 13.665 8.504 1.00 0.00 H new ATOM 470 N ASP A 34 -0.375 13.409 2.500 1.00 0.00 N ATOM 471 CA ASP A 34 -0.694 14.269 1.364 1.00 0.00 C ATOM 472 C ASP A 34 -2.204 14.427 1.204 1.00 0.00 C ATOM 473 O ASP A 34 -2.947 13.445 1.227 1.00 0.00 O ATOM 474 CB ASP A 34 -0.083 13.700 0.082 1.00 0.00 C ATOM 475 CG ASP A 34 -0.259 14.628 -1.103 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.507 15.609 -1.208 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.163 14.374 -1.925 1.00 0.00 O ATOM 0 H ASP A 34 0.277 12.654 2.286 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.267 15.254 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.979 13.515 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.545 12.738 -0.141 1.00 0.00 H new ATOM 482 N ASP A 35 -2.650 15.671 1.043 1.00 0.00 N ATOM 483 CA ASP A 35 -4.072 15.965 0.889 1.00 0.00 C ATOM 484 C ASP A 35 -4.655 15.281 -0.345 1.00 0.00 C ATOM 485 O ASP A 35 -5.728 14.679 -0.279 1.00 0.00 O ATOM 486 CB ASP A 35 -4.293 17.476 0.801 1.00 0.00 C ATOM 487 CG ASP A 35 -3.483 18.118 -0.309 1.00 0.00 C ATOM 488 OD1 ASP A 35 -2.336 18.531 -0.043 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.997 18.205 -1.444 1.00 0.00 O ATOM 0 H ASP A 35 -2.046 16.492 1.016 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.588 15.575 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.352 17.676 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.026 17.935 1.753 1.00 0.00 H new ATOM 494 N GLU A 36 -3.947 15.375 -1.466 1.00 0.00 N ATOM 495 CA GLU A 36 -4.403 14.767 -2.712 1.00 0.00 C ATOM 496 C GLU A 36 -4.565 13.257 -2.554 1.00 0.00 C ATOM 497 O GLU A 36 -5.327 12.625 -3.285 1.00 0.00 O ATOM 498 CB GLU A 36 -3.424 15.077 -3.847 1.00 0.00 C ATOM 499 CG GLU A 36 -3.904 14.613 -5.213 1.00 0.00 C ATOM 500 CD GLU A 36 -2.969 15.031 -6.331 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.018 14.274 -6.625 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.184 16.116 -6.911 1.00 0.00 O ATOM 0 H GLU A 36 -3.056 15.866 -1.538 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.376 15.192 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.248 16.152 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.467 14.604 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.000 13.527 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.897 15.020 -5.403 1.00 0.00 H new ATOM 509 N PHE A 37 -3.844 12.685 -1.594 1.00 0.00 N ATOM 510 CA PHE A 37 -3.912 11.250 -1.340 1.00 0.00 C ATOM 511 C PHE A 37 -5.189 10.894 -0.590 1.00 0.00 C ATOM 512 O PHE A 37 -5.904 9.966 -0.970 1.00 0.00 O ATOM 513 CB PHE A 37 -2.691 10.788 -0.543 1.00 0.00 C ATOM 514 CG PHE A 37 -2.742 9.337 -0.156 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.623 8.345 -1.117 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.915 8.965 1.167 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.673 7.009 -0.765 1.00 0.00 C ATOM 518 CE2 PHE A 37 -2.967 7.631 1.526 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.846 6.652 0.559 1.00 0.00 C ATOM 0 H PHE A 37 -3.207 13.193 -0.980 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.919 10.737 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.793 10.967 -1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.605 11.394 0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.490 8.619 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.010 9.726 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.577 6.246 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.102 7.355 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.887 5.609 0.837 1.00 0.00 H new ATOM 529 N GLN A 38 -5.470 11.632 0.481 1.00 0.00 N ATOM 530 CA GLN A 38 -6.665 11.392 1.280 1.00 0.00 C ATOM 531 C GLN A 38 -7.914 11.520 0.418 1.00 0.00 C ATOM 532 O GLN A 38 -8.897 10.804 0.615 1.00 0.00 O ATOM 533 CB GLN A 38 -6.728 12.374 2.452 1.00 0.00 C ATOM 534 CG GLN A 38 -5.517 12.305 3.367 1.00 0.00 C ATOM 535 CD GLN A 38 -5.615 13.260 4.541 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.237 14.319 4.445 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.998 12.890 5.657 1.00 0.00 N ATOM 0 H GLN A 38 -4.887 12.400 0.814 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.618 10.378 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.821 13.387 2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.626 12.173 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.406 11.287 3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.619 12.533 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.494 12.004 5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.028 13.492 6.480 1.00 0.00 H new ATOM 546 N LEU A 39 -7.867 12.441 -0.538 1.00 0.00 N ATOM 547 CA LEU A 39 -8.987 12.668 -1.444 1.00 0.00 C ATOM 548 C LEU A 39 -9.156 11.480 -2.387 1.00 0.00 C ATOM 549 O LEU A 39 -10.269 11.022 -2.625 1.00 0.00 O ATOM 550 CB LEU A 39 -8.761 13.961 -2.243 1.00 0.00 C ATOM 551 CG LEU A 39 -9.983 14.528 -2.984 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.299 13.709 -4.226 1.00 0.00 C ATOM 553 CD2 LEU A 39 -11.195 14.591 -2.064 1.00 0.00 C ATOM 0 H LEU A 39 -7.062 13.045 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.900 12.773 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.391 14.725 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.973 13.778 -2.973 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.738 15.542 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.168 14.133 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.443 13.727 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.513 12.680 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.047 14.995 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.435 13.589 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.972 15.234 -1.212 1.00 0.00 H new ATOM 565 N LEU A 40 -8.040 10.985 -2.913 1.00 0.00 N ATOM 566 CA LEU A 40 -8.055 9.852 -3.836 1.00 0.00 C ATOM 567 C LEU A 40 -8.637 8.602 -3.176 1.00 0.00 C ATOM 568 O LEU A 40 -9.551 7.975 -3.711 1.00 0.00 O ATOM 569 CB LEU A 40 -6.634 9.569 -4.340 1.00 0.00 C ATOM 570 CG LEU A 40 -6.487 8.360 -5.273 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.360 8.591 -6.268 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.229 7.090 -4.474 1.00 0.00 C ATOM 0 H LEU A 40 -7.109 11.352 -2.715 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.694 10.113 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.271 10.454 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.985 9.420 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.421 8.239 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.269 7.724 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.578 9.476 -6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.424 8.739 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.128 6.245 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.311 7.203 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.063 6.911 -3.796 1.00 0.00 H new ATOM 584 N GLN A 41 -8.099 8.248 -2.014 1.00 0.00 N ATOM 585 CA GLN A 41 -8.543 7.063 -1.285 1.00 0.00 C ATOM 586 C GLN A 41 -10.025 7.136 -0.921 1.00 0.00 C ATOM 587 O GLN A 41 -10.786 6.215 -1.210 1.00 0.00 O ATOM 588 CB GLN A 41 -7.708 6.883 -0.014 1.00 0.00 C ATOM 589 CG GLN A 41 -8.066 5.636 0.781 1.00 0.00 C ATOM 590 CD GLN A 41 -7.841 4.358 -0.003 1.00 0.00 C ATOM 591 OE1 GLN A 41 -8.738 3.875 -0.696 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.641 3.801 0.106 1.00 0.00 N ATOM 0 H GLN A 41 -7.351 8.767 -1.554 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.403 6.205 -1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.653 6.840 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.837 7.758 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.470 5.608 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.111 5.692 1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.928 4.236 0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.432 2.938 -0.396 1.00 0.00 H new ATOM 601 N ARG A 42 -10.426 8.232 -0.286 1.00 0.00 N ATOM 602 CA ARG A 42 -11.814 8.410 0.136 1.00 0.00 C ATOM 603 C ARG A 42 -12.772 8.480 -1.054 1.00 0.00 C ATOM 604 O ARG A 42 -13.861 7.907 -1.015 1.00 0.00 O ATOM 605 CB ARG A 42 -11.950 9.678 0.981 1.00 0.00 C ATOM 606 CG ARG A 42 -13.353 9.903 1.527 1.00 0.00 C ATOM 607 CD ARG A 42 -13.726 8.854 2.562 1.00 0.00 C ATOM 608 NE ARG A 42 -12.814 8.862 3.703 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.184 9.164 4.944 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.443 9.490 5.204 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.295 9.142 5.925 1.00 0.00 N ATOM 0 H ARG A 42 -9.811 9.011 -0.051 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.085 7.538 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.250 9.625 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.662 10.539 0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.415 10.895 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.071 9.878 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.743 9.034 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.717 7.868 2.098 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.836 8.622 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.131 9.510 4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.724 9.721 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.325 8.893 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.580 9.374 6.877 1.00 0.00 H new ATOM 625 N ASN A 43 -12.365 9.184 -2.104 1.00 0.00 N ATOM 626 CA ASN A 43 -13.202 9.341 -3.292 1.00 0.00 C ATOM 627 C ASN A 43 -13.555 7.993 -3.913 1.00 0.00 C ATOM 628 O ASN A 43 -14.717 7.732 -4.224 1.00 0.00 O ATOM 629 CB ASN A 43 -12.499 10.216 -4.330 1.00 0.00 C ATOM 630 CG ASN A 43 -13.356 10.453 -5.558 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.297 9.695 -6.527 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.161 11.509 -5.523 1.00 0.00 N ATOM 0 H ASN A 43 -11.462 9.655 -2.159 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.127 9.824 -2.977 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.241 11.174 -3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.564 9.742 -4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.762 11.718 -6.320 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.178 12.110 -4.699 1.00 0.00 H new ATOM 639 N PHE A 44 -12.550 7.143 -4.093 1.00 0.00 N ATOM 640 CA PHE A 44 -12.765 5.831 -4.691 1.00 0.00 C ATOM 641 C PHE A 44 -13.432 4.868 -3.713 1.00 0.00 C ATOM 642 O PHE A 44 -14.323 4.111 -4.094 1.00 0.00 O ATOM 643 CB PHE A 44 -11.441 5.251 -5.193 1.00 0.00 C ATOM 644 CG PHE A 44 -11.037 5.780 -6.540 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.462 7.035 -6.664 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.239 5.024 -7.684 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.095 7.526 -7.903 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.876 5.511 -8.927 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.303 6.764 -9.036 1.00 0.00 C ATOM 0 H PHE A 44 -11.583 7.338 -3.835 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.439 5.960 -5.538 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.656 5.476 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.524 4.165 -5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.299 7.637 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.685 4.044 -7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.646 8.505 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.040 4.913 -9.811 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.018 7.146 -10.005 1.00 0.00 H new ATOM 659 N MET A 45 -13.010 4.901 -2.454 1.00 0.00 N ATOM 660 CA MET A 45 -13.579 4.015 -1.444 1.00 0.00 C ATOM 661 C MET A 45 -15.068 4.294 -1.259 1.00 0.00 C ATOM 662 O MET A 45 -15.823 3.423 -0.830 1.00 0.00 O ATOM 663 CB MET A 45 -12.834 4.162 -0.110 1.00 0.00 C ATOM 664 CG MET A 45 -13.412 5.217 0.822 1.00 0.00 C ATOM 665 SD MET A 45 -12.536 5.302 2.397 1.00 0.00 S ATOM 666 CE MET A 45 -12.770 3.635 3.010 1.00 0.00 C ATOM 0 H MET A 45 -12.282 5.526 -2.110 1.00 0.00 H new ATOM 0 HA MET A 45 -13.463 2.988 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.839 3.200 0.403 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.792 4.408 -0.315 1.00 0.00 H new ATOM 0 HG2 MET A 45 -13.370 6.191 0.334 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.464 4.998 1.006 1.00 0.00 H new ATOM 0 HE1 MET A 45 -13.104 3.672 4.047 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.520 3.127 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.828 3.090 2.952 1.00 0.00 H new ATOM 676 N ASP A 46 -15.478 5.515 -1.586 1.00 0.00 N ATOM 677 CA ASP A 46 -16.876 5.916 -1.468 1.00 0.00 C ATOM 678 C ASP A 46 -17.774 5.028 -2.325 1.00 0.00 C ATOM 679 O ASP A 46 -18.936 4.799 -1.993 1.00 0.00 O ATOM 680 CB ASP A 46 -17.050 7.379 -1.882 1.00 0.00 C ATOM 681 CG ASP A 46 -18.501 7.820 -1.851 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.998 8.150 -0.755 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.140 7.832 -2.924 1.00 0.00 O ATOM 0 H ASP A 46 -14.860 6.247 -1.936 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.169 5.802 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.466 8.014 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.652 7.519 -2.887 1.00 0.00 H new ATOM 688 N LYS A 47 -17.230 4.542 -3.435 1.00 0.00 N ATOM 689 CA LYS A 47 -17.980 3.681 -4.344 1.00 0.00 C ATOM 690 C LYS A 47 -17.676 2.209 -4.081 1.00 0.00 C ATOM 691 O LYS A 47 -18.570 1.362 -4.110 1.00 0.00 O ATOM 692 CB LYS A 47 -17.644 4.029 -5.794 1.00 0.00 C ATOM 693 CG LYS A 47 -18.034 5.446 -6.189 1.00 0.00 C ATOM 694 CD LYS A 47 -19.543 5.626 -6.211 1.00 0.00 C ATOM 695 CE LYS A 47 -19.930 7.046 -6.594 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.408 7.227 -6.636 1.00 0.00 N ATOM 0 H LYS A 47 -16.271 4.729 -3.728 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.043 3.849 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.573 3.899 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.150 3.325 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.593 6.154 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.625 5.675 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.984 4.924 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.953 5.388 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.499 7.745 -5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.507 7.287 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.630 8.208 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.817 6.578 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.810 7.022 -5.699 1.00 0.00 H new ATOM 710 N TYR A 48 -16.406 1.914 -3.830 1.00 0.00 N ATOM 711 CA TYR A 48 -15.971 0.547 -3.565 1.00 0.00 C ATOM 712 C TYR A 48 -16.727 -0.069 -2.387 1.00 0.00 C ATOM 713 O TYR A 48 -17.250 -1.178 -2.491 1.00 0.00 O ATOM 714 CB TYR A 48 -14.468 0.513 -3.284 1.00 0.00 C ATOM 715 CG TYR A 48 -13.604 0.520 -4.527 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.726 1.524 -5.482 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.659 -0.475 -4.740 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.931 1.534 -6.612 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.863 -0.473 -5.869 1.00 0.00 C ATOM 720 CZ TYR A 48 -12.001 0.533 -6.800 1.00 0.00 C ATOM 721 OH TYR A 48 -11.207 0.539 -7.923 1.00 0.00 O ATOM 0 H TYR A 48 -15.657 2.606 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.190 -0.043 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.205 1.373 -2.668 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.239 -0.379 -2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.454 2.309 -5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.544 -1.263 -4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.037 2.321 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.136 -1.257 -6.021 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.452 1.297 -8.493 1.00 0.00 H new ATOM 731 N TYR A 49 -16.783 0.653 -1.269 1.00 0.00 N ATOM 732 CA TYR A 49 -17.464 0.156 -0.074 1.00 0.00 C ATOM 733 C TYR A 49 -18.946 -0.100 -0.345 1.00 0.00 C ATOM 734 O TYR A 49 -19.611 -0.800 0.420 1.00 0.00 O ATOM 735 CB TYR A 49 -17.286 1.135 1.097 1.00 0.00 C ATOM 736 CG TYR A 49 -18.465 2.056 1.339 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.638 3.211 0.589 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.400 1.770 2.327 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.710 4.054 0.814 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.474 2.608 2.558 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.624 3.750 1.800 1.00 0.00 C ATOM 742 OH TYR A 49 -21.692 4.588 2.026 1.00 0.00 O ATOM 0 H TYR A 49 -16.368 1.579 -1.165 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.008 -0.795 0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.097 0.563 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.400 1.743 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.923 3.455 -0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.285 0.878 2.924 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.831 4.947 0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.192 2.370 3.328 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.241 4.229 2.754 1.00 0.00 H new ATOM 752 N LEU A 50 -19.457 0.469 -1.433 1.00 0.00 N ATOM 753 CA LEU A 50 -20.858 0.288 -1.800 1.00 0.00 C ATOM 754 C LEU A 50 -21.058 -1.049 -2.501 1.00 0.00 C ATOM 755 O LEU A 50 -22.019 -1.768 -2.226 1.00 0.00 O ATOM 756 CB LEU A 50 -21.332 1.429 -2.705 1.00 0.00 C ATOM 757 CG LEU A 50 -21.430 2.798 -2.029 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.760 3.873 -3.052 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.479 2.769 -0.928 1.00 0.00 C ATOM 0 H LEU A 50 -18.924 1.057 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.451 0.298 -0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.650 1.507 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.311 1.169 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.465 3.035 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.826 4.841 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.977 3.907 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.714 3.643 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.538 3.750 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.448 2.513 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.203 2.023 -0.182 1.00 0.00 H new ATOM 771 N GLU A 51 -20.145 -1.376 -3.410 1.00 0.00 N ATOM 772 CA GLU A 51 -20.218 -2.632 -4.149 1.00 0.00 C ATOM 773 C GLU A 51 -19.869 -3.813 -3.248 1.00 0.00 C ATOM 774 O GLU A 51 -20.444 -4.895 -3.374 1.00 0.00 O ATOM 775 CB GLU A 51 -19.273 -2.598 -5.351 1.00 0.00 C ATOM 776 CG GLU A 51 -19.591 -1.490 -6.342 1.00 0.00 C ATOM 777 CD GLU A 51 -18.631 -1.465 -7.517 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.554 -0.844 -7.391 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.957 -2.065 -8.562 1.00 0.00 O ATOM 0 H GLU A 51 -19.347 -0.789 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.241 -2.756 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.250 -2.474 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.317 -3.558 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.608 -1.619 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.557 -0.529 -5.830 1.00 0.00 H new ATOM 786 N PHE A 52 -18.924 -3.598 -2.337 1.00 0.00 N ATOM 787 CA PHE A 52 -18.502 -4.646 -1.416 1.00 0.00 C ATOM 788 C PHE A 52 -19.504 -4.810 -0.279 1.00 0.00 C ATOM 789 O PHE A 52 -19.365 -4.198 0.780 1.00 0.00 O ATOM 790 CB PHE A 52 -17.115 -4.334 -0.849 1.00 0.00 C ATOM 791 CG PHE A 52 -15.990 -4.673 -1.786 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.815 -3.971 -2.967 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.107 -5.697 -1.482 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.780 -4.283 -3.829 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.070 -6.013 -2.340 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.907 -5.306 -3.515 1.00 0.00 C ATOM 0 H PHE A 52 -18.438 -2.709 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.455 -5.582 -1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.063 -3.274 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -16.980 -4.885 0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.495 -3.170 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.230 -6.254 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.654 -3.727 -4.747 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.388 -6.812 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.098 -5.553 -4.187 1.00 0.00 H new ATOM 806 N GLU A 53 -20.521 -5.633 -0.513 1.00 0.00 N ATOM 807 CA GLU A 53 -21.550 -5.883 0.491 1.00 0.00 C ATOM 808 C GLU A 53 -21.381 -7.268 1.104 1.00 0.00 C ATOM 809 O GLU A 53 -20.805 -8.165 0.488 1.00 0.00 O ATOM 810 CB GLU A 53 -22.941 -5.757 -0.129 1.00 0.00 C ATOM 811 CG GLU A 53 -23.232 -4.379 -0.702 1.00 0.00 C ATOM 812 CD GLU A 53 -24.612 -4.287 -1.322 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.746 -4.603 -2.523 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.559 -3.899 -0.606 1.00 0.00 O ATOM 0 H GLU A 53 -20.655 -6.138 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.443 -5.137 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.045 -6.499 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.689 -5.991 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.142 -3.634 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.482 -4.137 -1.455 1.00 0.00 H new ATOM 821 N ASP A 54 -21.886 -7.437 2.321 1.00 0.00 N ATOM 822 CA ASP A 54 -21.795 -8.714 3.017 1.00 0.00 C ATOM 823 C ASP A 54 -22.929 -9.642 2.595 1.00 0.00 C ATOM 824 O ASP A 54 -24.043 -9.551 3.110 1.00 0.00 O ATOM 825 CB ASP A 54 -21.829 -8.496 4.530 1.00 0.00 C ATOM 826 CG ASP A 54 -21.781 -9.798 5.306 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.666 -10.316 5.527 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.858 -10.297 5.695 1.00 0.00 O ATOM 0 H ASP A 54 -22.363 -6.704 2.846 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.848 -9.183 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.985 -7.871 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.736 -7.952 4.795 1.00 0.00 H new ATOM 833 N THR A 55 -22.639 -10.530 1.650 1.00 0.00 N ATOM 834 CA THR A 55 -23.633 -11.474 1.154 1.00 0.00 C ATOM 835 C THR A 55 -23.072 -12.892 1.106 1.00 0.00 C ATOM 836 O THR A 55 -21.899 -13.116 1.407 1.00 0.00 O ATOM 837 CB THR A 55 -24.128 -11.083 -0.250 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.032 -11.072 -1.171 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.792 -9.714 -0.229 1.00 0.00 C ATOM 0 H THR A 55 -21.722 -10.615 1.212 1.00 0.00 H new ATOM 0 HA THR A 55 -24.472 -11.442 1.849 1.00 0.00 H new ATOM 0 HB THR A 55 -24.863 -11.821 -0.569 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.374 -10.982 -2.085 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.133 -9.460 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.644 -9.733 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.075 -8.967 0.110 1.00 0.00 H new ATOM 847 N GLU A 56 -23.917 -13.843 0.723 1.00 0.00 N ATOM 848 CA GLU A 56 -23.508 -15.240 0.634 1.00 0.00 C ATOM 849 C GLU A 56 -23.360 -15.676 -0.821 1.00 0.00 C ATOM 850 O GLU A 56 -22.921 -16.791 -1.102 1.00 0.00 O ATOM 851 CB GLU A 56 -24.523 -16.133 1.348 1.00 0.00 C ATOM 852 CG GLU A 56 -24.667 -15.824 2.830 1.00 0.00 C ATOM 853 CD GLU A 56 -25.675 -16.722 3.519 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.273 -17.796 4.016 1.00 0.00 O ATOM 855 OE2 GLU A 56 -26.868 -16.353 3.563 1.00 0.00 O ATOM 0 H GLU A 56 -24.890 -13.672 0.469 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.538 -15.341 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -25.494 -16.023 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.225 -17.175 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.697 -15.933 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.969 -14.784 2.953 1.00 0.00 H new ATOM 862 N GLU A 57 -23.731 -14.790 -1.740 1.00 0.00 N ATOM 863 CA GLU A 57 -23.640 -15.083 -3.166 1.00 0.00 C ATOM 864 C GLU A 57 -22.259 -14.722 -3.706 1.00 0.00 C ATOM 865 O GLU A 57 -21.696 -13.685 -3.356 1.00 0.00 O ATOM 866 CB GLU A 57 -24.719 -14.320 -3.935 1.00 0.00 C ATOM 867 CG GLU A 57 -24.722 -14.602 -5.429 1.00 0.00 C ATOM 868 CD GLU A 57 -25.789 -13.821 -6.169 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.919 -14.337 -6.300 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.495 -12.694 -6.620 1.00 0.00 O ATOM 0 H GLU A 57 -24.097 -13.863 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.796 -16.153 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.695 -14.577 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.578 -13.251 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.744 -14.356 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.878 -15.668 -5.593 1.00 0.00 H new ATOM 877 N ASN A 58 -21.723 -15.586 -4.563 1.00 0.00 N ATOM 878 CA ASN A 58 -20.407 -15.365 -5.152 1.00 0.00 C ATOM 879 C ASN A 58 -20.509 -14.540 -6.431 1.00 0.00 C ATOM 880 O ASN A 58 -21.151 -14.953 -7.398 1.00 0.00 O ATOM 881 CB ASN A 58 -19.728 -16.705 -5.446 1.00 0.00 C ATOM 882 CG ASN A 58 -18.366 -16.542 -6.091 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.948 -17.367 -6.903 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.662 -15.475 -5.730 1.00 0.00 N ATOM 0 H ASN A 58 -22.180 -16.446 -4.865 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.805 -14.808 -4.434 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.621 -17.265 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.368 -17.296 -6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.737 -15.315 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.046 -14.816 -5.053 1.00 0.00 H new ATOM 891 N LYS A 59 -19.874 -13.372 -6.429 1.00 0.00 N ATOM 892 CA LYS A 59 -19.889 -12.487 -7.589 1.00 0.00 C ATOM 893 C LYS A 59 -18.490 -12.340 -8.178 1.00 0.00 C ATOM 894 O LYS A 59 -17.517 -12.146 -7.450 1.00 0.00 O ATOM 895 CB LYS A 59 -20.434 -11.111 -7.203 1.00 0.00 C ATOM 896 CG LYS A 59 -21.865 -11.139 -6.691 1.00 0.00 C ATOM 897 CD LYS A 59 -22.374 -9.738 -6.391 1.00 0.00 C ATOM 898 CE LYS A 59 -23.818 -9.759 -5.913 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.976 -10.538 -4.654 1.00 0.00 N ATOM 0 H LYS A 59 -19.342 -13.016 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.540 -12.931 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.792 -10.679 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.381 -10.453 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.509 -11.611 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.918 -11.748 -5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.745 -9.276 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.295 -9.122 -7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.162 -8.737 -5.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.451 -10.191 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.926 -10.376 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.852 -11.551 -4.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.260 -10.232 -3.964 1.00 0.00 H new ATOM 913 N LEU A 60 -18.393 -12.436 -9.501 1.00 0.00 N ATOM 914 CA LEU A 60 -17.111 -12.311 -10.185 1.00 0.00 C ATOM 915 C LEU A 60 -16.713 -10.845 -10.345 1.00 0.00 C ATOM 916 O LEU A 60 -15.593 -10.540 -10.753 1.00 0.00 O ATOM 917 CB LEU A 60 -17.161 -12.987 -11.558 1.00 0.00 C ATOM 918 CG LEU A 60 -17.181 -14.518 -11.532 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.533 -15.034 -11.061 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.844 -15.076 -12.905 1.00 0.00 C ATOM 0 H LEU A 60 -19.187 -12.600 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.361 -12.810 -9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.049 -12.637 -12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.297 -12.661 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.424 -14.858 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.523 -16.124 -11.051 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.734 -14.664 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.312 -14.685 -11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.862 -16.165 -12.870 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.577 -14.724 -13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.850 -14.739 -13.201 1.00 0.00 H new ATOM 932 N ILE A 61 -17.636 -9.943 -10.021 1.00 0.00 N ATOM 933 CA ILE A 61 -17.385 -8.508 -10.137 1.00 0.00 C ATOM 934 C ILE A 61 -16.229 -8.069 -9.236 1.00 0.00 C ATOM 935 O ILE A 61 -15.679 -6.976 -9.398 1.00 0.00 O ATOM 936 CB ILE A 61 -18.646 -7.691 -9.786 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.471 -6.224 -10.191 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.958 -7.802 -8.299 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.371 -6.016 -11.687 1.00 0.00 C ATOM 0 H ILE A 61 -18.566 -10.180 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.114 -8.316 -11.175 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.486 -8.102 -10.346 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.313 -5.647 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.572 -5.830 -9.717 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.850 -7.219 -8.070 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.130 -8.847 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.117 -7.419 -7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.249 -4.954 -11.899 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.512 -6.565 -12.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.280 -6.379 -12.166 1.00 0.00 H new ATOM 951 N TYR A 62 -15.856 -8.930 -8.295 1.00 0.00 N ATOM 952 CA TYR A 62 -14.770 -8.627 -7.371 1.00 0.00 C ATOM 953 C TYR A 62 -13.416 -8.633 -8.079 1.00 0.00 C ATOM 954 O TYR A 62 -12.464 -8.010 -7.612 1.00 0.00 O ATOM 955 CB TYR A 62 -14.753 -9.627 -6.212 1.00 0.00 C ATOM 956 CG TYR A 62 -15.932 -9.497 -5.273 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.214 -8.292 -4.642 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.760 -10.582 -5.012 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.288 -8.170 -3.780 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.837 -10.469 -4.152 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.095 -9.262 -3.539 1.00 0.00 C ATOM 962 OH TYR A 62 -19.165 -9.145 -2.681 1.00 0.00 O ATOM 0 H TYR A 62 -16.289 -9.842 -8.152 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.946 -7.626 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.734 -10.638 -6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.832 -9.494 -5.644 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.583 -7.435 -4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.559 -11.530 -5.489 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.494 -7.225 -3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.472 -11.322 -3.962 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.632 -10.005 -2.621 1.00 0.00 H new ATOM 972 N THR A 63 -13.333 -9.335 -9.208 1.00 0.00 N ATOM 973 CA THR A 63 -12.082 -9.412 -9.958 1.00 0.00 C ATOM 974 C THR A 63 -11.785 -8.103 -10.702 1.00 0.00 C ATOM 975 O THR A 63 -10.697 -7.547 -10.552 1.00 0.00 O ATOM 976 CB THR A 63 -12.082 -10.592 -10.954 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.260 -11.827 -10.251 1.00 0.00 O ATOM 978 CG2 THR A 63 -10.782 -10.640 -11.743 1.00 0.00 C ATOM 0 H THR A 63 -14.109 -9.853 -9.620 1.00 0.00 H new ATOM 0 HA THR A 63 -11.293 -9.580 -9.225 1.00 0.00 H new ATOM 0 HB THR A 63 -12.907 -10.445 -11.651 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.261 -12.570 -10.890 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.808 -11.480 -12.437 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.661 -9.712 -12.301 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.944 -10.763 -11.057 1.00 0.00 H new ATOM 986 N PRO A 64 -12.735 -7.582 -11.512 1.00 0.00 N ATOM 987 CA PRO A 64 -12.530 -6.327 -12.247 1.00 0.00 C ATOM 988 C PRO A 64 -12.301 -5.143 -11.314 1.00 0.00 C ATOM 989 O PRO A 64 -11.380 -4.352 -11.519 1.00 0.00 O ATOM 990 CB PRO A 64 -13.834 -6.140 -13.033 1.00 0.00 C ATOM 991 CG PRO A 64 -14.448 -7.496 -13.083 1.00 0.00 C ATOM 992 CD PRO A 64 -14.058 -8.165 -11.798 1.00 0.00 C ATOM 0 HA PRO A 64 -11.644 -6.373 -12.880 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.493 -5.425 -12.540 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.640 -5.757 -14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.532 -7.432 -13.178 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.085 -8.059 -13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.772 -7.957 -11.001 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.007 -9.248 -11.906 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.143 -5.025 -10.289 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.023 -3.931 -9.328 1.00 0.00 C ATOM 1002 C ILE A 65 -11.658 -3.946 -8.646 1.00 0.00 C ATOM 1003 O ILE A 65 -11.003 -2.909 -8.524 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.125 -3.999 -8.251 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.510 -3.973 -8.902 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.974 -2.847 -7.267 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.647 -4.179 -7.923 1.00 0.00 C ATOM 0 H ILE A 65 -13.911 -5.670 -10.103 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.136 -3.004 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.020 -4.936 -7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.646 -3.017 -9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.557 -4.748 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.758 -2.908 -6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.999 -2.908 -6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.056 -1.900 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.597 -4.148 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.536 -5.147 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.627 -3.390 -7.171 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.234 -5.126 -8.203 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.949 -5.276 -7.529 1.00 0.00 C ATOM 1021 C PHE A 66 -8.805 -4.789 -8.412 1.00 0.00 C ATOM 1022 O PHE A 66 -7.896 -4.104 -7.943 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.723 -6.739 -7.137 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.499 -6.955 -6.295 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.508 -6.644 -4.945 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.340 -7.469 -6.854 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.384 -6.843 -4.166 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.212 -7.670 -6.079 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.234 -7.356 -4.735 1.00 0.00 C ATOM 0 H PHE A 66 -11.763 -5.993 -8.299 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.968 -4.664 -6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.596 -7.099 -6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.641 -7.340 -8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.404 -6.241 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.317 -7.715 -7.905 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.404 -6.598 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.315 -8.072 -6.525 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.354 -7.511 -4.129 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.856 -5.143 -9.694 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.822 -4.735 -10.641 1.00 0.00 C ATOM 1041 C ASN A 67 -7.739 -3.214 -10.727 1.00 0.00 C ATOM 1042 O ASN A 67 -6.653 -2.648 -10.853 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.104 -5.321 -12.026 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.068 -6.836 -12.032 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.348 -7.456 -11.249 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.847 -7.443 -12.920 1.00 0.00 N ATOM 0 H ASN A 67 -9.600 -5.710 -10.100 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.866 -5.117 -10.284 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.082 -4.982 -12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.369 -4.940 -12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.864 -8.462 -12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.428 -6.891 -13.550 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.894 -2.561 -10.655 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.959 -1.105 -10.721 1.00 0.00 C ATOM 1055 C GLU A 68 -8.229 -0.473 -9.541 1.00 0.00 C ATOM 1056 O GLU A 68 -7.550 0.543 -9.691 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.418 -0.641 -10.737 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.579 0.865 -10.867 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.033 1.293 -10.909 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.661 1.162 -11.981 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.545 1.761 -9.870 1.00 0.00 O ATOM 0 H GLU A 68 -9.800 -3.018 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.470 -0.786 -11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.935 -1.126 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.905 -0.972 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.084 1.354 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.078 1.204 -11.774 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.376 -1.081 -8.370 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.739 -0.583 -7.157 1.00 0.00 C ATOM 1070 C TYR A 69 -6.220 -0.723 -7.229 1.00 0.00 C ATOM 1071 O TYR A 69 -5.484 0.133 -6.736 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.272 -1.344 -5.942 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.816 -0.781 -4.616 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.535 0.225 -3.985 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.671 -1.259 -3.992 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.125 0.742 -2.770 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.254 -0.750 -2.777 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.984 0.250 -2.170 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.573 0.761 -0.960 1.00 0.00 O ATOM 0 H TYR A 69 -8.934 -1.924 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.977 0.476 -7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.362 -1.339 -5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.956 -2.385 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.430 0.610 -4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.097 -2.042 -4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.694 1.526 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.361 -1.133 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.754 0.306 -0.674 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.761 -1.806 -7.844 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.332 -2.067 -7.976 1.00 0.00 C ATOM 1091 C ILE A 70 -3.689 -1.151 -9.014 1.00 0.00 C ATOM 1092 O ILE A 70 -2.516 -0.796 -8.901 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.068 -3.536 -8.364 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.705 -4.485 -7.342 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.574 -3.801 -8.482 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.179 -4.313 -5.931 1.00 0.00 C ATOM 0 H ILE A 70 -6.359 -2.520 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.884 -1.866 -7.003 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.525 -3.720 -9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.784 -4.328 -7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.534 -5.513 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.410 -4.843 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.149 -3.153 -9.248 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.092 -3.597 -7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.678 -5.019 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.105 -4.500 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.375 -3.296 -5.591 1.00 0.00 H new ATOM 1108 N SER A 71 -4.458 -0.770 -10.023 1.00 0.00 N ATOM 1109 CA SER A 71 -3.950 0.100 -11.077 1.00 0.00 C ATOM 1110 C SER A 71 -4.091 1.569 -10.694 1.00 0.00 C ATOM 1111 O SER A 71 -3.357 2.419 -11.194 1.00 0.00 O ATOM 1112 CB SER A 71 -4.692 -0.171 -12.388 1.00 0.00 C ATOM 1113 OG SER A 71 -4.217 0.668 -13.427 1.00 0.00 O ATOM 0 H SER A 71 -5.433 -1.048 -10.136 1.00 0.00 H new ATOM 0 HA SER A 71 -2.890 -0.117 -11.212 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.564 -1.215 -12.673 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.760 -0.008 -12.245 1.00 0.00 H new ATOM 0 HG SER A 71 -4.706 0.474 -14.254 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.053 1.870 -9.829 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.277 3.246 -9.399 1.00 0.00 C ATOM 1121 C LEU A 72 -4.482 3.591 -8.137 1.00 0.00 C ATOM 1122 O LEU A 72 -3.586 4.437 -8.169 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.776 3.475 -9.158 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.228 4.938 -9.033 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.891 5.499 -7.660 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.606 5.796 -10.127 1.00 0.00 C ATOM 0 H LEU A 72 -5.686 1.186 -9.414 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.926 3.904 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.329 3.015 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.060 2.950 -8.246 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.311 4.962 -9.154 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.222 6.536 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.396 4.911 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.813 5.452 -7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.942 6.827 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.520 5.758 -10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.911 5.418 -11.103 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.804 2.919 -7.034 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.146 3.181 -5.755 1.00 0.00 C ATOM 1140 C VAL A 73 -2.725 2.626 -5.687 1.00 0.00 C ATOM 1141 O VAL A 73 -1.766 3.380 -5.529 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.960 2.603 -4.582 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.293 2.923 -3.253 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.385 3.134 -4.611 1.00 0.00 C ATOM 0 H VAL A 73 -5.516 2.189 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.089 4.266 -5.674 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.995 1.519 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.885 2.505 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.293 2.490 -3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.222 4.004 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.946 2.716 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.370 4.221 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.861 2.847 -5.548 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.594 1.306 -5.803 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.286 0.662 -5.724 1.00 0.00 C ATOM 1156 C GLU A 74 -0.305 1.273 -6.717 1.00 0.00 C ATOM 1157 O GLU A 74 0.859 1.506 -6.387 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.409 -0.844 -5.964 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.097 -1.593 -5.790 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.228 -3.076 -6.076 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.791 -3.797 -5.226 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.233 -3.516 -7.150 1.00 0.00 O ATOM 0 H GLU A 74 -3.373 0.665 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.899 0.828 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.147 -1.255 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.785 -1.014 -6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.653 -1.164 -6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.264 -1.454 -4.771 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.776 1.534 -7.930 1.00 0.00 N ATOM 1170 CA LYS A 75 0.070 2.120 -8.961 1.00 0.00 C ATOM 1171 C LYS A 75 0.467 3.543 -8.587 1.00 0.00 C ATOM 1172 O LYS A 75 1.588 3.972 -8.857 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.647 2.115 -10.308 1.00 0.00 C ATOM 1174 CG LYS A 75 0.257 2.456 -11.479 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.500 2.443 -12.795 1.00 0.00 C ATOM 1176 CE LYS A 75 0.399 2.843 -13.954 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.573 1.936 -14.083 1.00 0.00 N ATOM 0 H LYS A 75 -1.736 1.350 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 75 0.974 1.516 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.086 1.131 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.470 2.829 -10.275 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.699 3.440 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.079 1.741 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.906 1.447 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.347 3.127 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.175 2.829 -14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.745 3.866 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.048 2.110 -14.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.239 2.117 -13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.254 0.947 -14.043 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.458 4.271 -7.968 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.198 5.644 -7.552 1.00 0.00 C ATOM 1193 C TYR A 76 1.012 5.706 -6.623 1.00 0.00 C ATOM 1194 O TYR A 76 1.863 6.586 -6.754 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.426 6.228 -6.852 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.253 7.663 -6.405 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.248 8.702 -7.328 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.094 7.978 -5.061 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.091 10.014 -6.924 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.937 9.289 -4.649 1.00 0.00 C ATOM 1201 CZ TYR A 76 -0.936 10.302 -5.584 1.00 0.00 C ATOM 1202 OH TYR A 76 -0.781 11.608 -5.178 1.00 0.00 O ATOM 0 H TYR A 76 -1.394 3.932 -7.744 1.00 0.00 H new ATOM 0 HA TYR A 76 0.017 6.236 -8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.279 6.169 -7.527 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.663 5.613 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.369 8.480 -8.378 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.093 7.186 -4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.090 10.810 -7.654 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.816 9.518 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.244 12.203 -5.805 1.00 0.00 H new ATOM 1212 N ILE A 77 1.081 4.765 -5.687 1.00 0.00 N ATOM 1213 CA ILE A 77 2.187 4.709 -4.737 1.00 0.00 C ATOM 1214 C ILE A 77 3.507 4.419 -5.444 1.00 0.00 C ATOM 1215 O ILE A 77 4.513 5.086 -5.202 1.00 0.00 O ATOM 1216 CB ILE A 77 1.956 3.625 -3.663 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.605 3.830 -2.973 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.089 3.641 -2.645 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.234 2.710 -2.023 1.00 0.00 C ATOM 0 H ILE A 77 0.384 4.030 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 77 2.235 5.687 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 77 1.943 2.650 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.627 4.770 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.171 3.923 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.914 2.872 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.035 3.446 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.130 4.617 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.735 2.923 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.180 1.770 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.990 2.630 -1.242 1.00 0.00 H new ATOM 1231 N GLU A 78 3.490 3.421 -6.320 1.00 0.00 N ATOM 1232 CA GLU A 78 4.683 3.023 -7.061 1.00 0.00 C ATOM 1233 C GLU A 78 5.229 4.172 -7.911 1.00 0.00 C ATOM 1234 O GLU A 78 6.430 4.438 -7.909 1.00 0.00 O ATOM 1235 CB GLU A 78 4.369 1.821 -7.952 1.00 0.00 C ATOM 1236 CG GLU A 78 5.580 1.271 -8.690 1.00 0.00 C ATOM 1237 CD GLU A 78 5.233 0.095 -9.581 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.160 -1.039 -9.064 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.035 0.309 -10.796 1.00 0.00 O ATOM 0 H GLU A 78 2.659 2.870 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 78 5.449 2.750 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.938 1.029 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.611 2.109 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.023 2.062 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.334 0.963 -7.965 1.00 0.00 H new ATOM 1246 N GLU A 79 4.339 4.846 -8.634 1.00 0.00 N ATOM 1247 CA GLU A 79 4.733 5.956 -9.498 1.00 0.00 C ATOM 1248 C GLU A 79 5.391 7.084 -8.706 1.00 0.00 C ATOM 1249 O GLU A 79 6.452 7.579 -9.087 1.00 0.00 O ATOM 1250 CB GLU A 79 3.517 6.495 -10.256 1.00 0.00 C ATOM 1251 CG GLU A 79 2.934 5.505 -11.251 1.00 0.00 C ATOM 1252 CD GLU A 79 1.719 6.053 -11.977 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.609 5.993 -11.407 1.00 0.00 O ATOM 1254 OE2 GLU A 79 1.878 6.540 -13.116 1.00 0.00 O ATOM 0 H GLU A 79 3.339 4.643 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 79 5.465 5.574 -10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.745 6.773 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.803 7.404 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.698 5.237 -11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.658 4.590 -10.728 1.00 0.00 H new ATOM 1261 N GLN A 80 4.762 7.483 -7.605 1.00 0.00 N ATOM 1262 CA GLN A 80 5.288 8.561 -6.771 1.00 0.00 C ATOM 1263 C GLN A 80 6.690 8.236 -6.262 1.00 0.00 C ATOM 1264 O GLN A 80 7.535 9.122 -6.140 1.00 0.00 O ATOM 1265 CB GLN A 80 4.352 8.830 -5.593 1.00 0.00 C ATOM 1266 CG GLN A 80 2.997 9.385 -6.007 1.00 0.00 C ATOM 1267 CD GLN A 80 3.103 10.722 -6.715 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.235 10.781 -7.937 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.046 11.804 -5.947 1.00 0.00 N ATOM 0 H GLN A 80 3.889 7.077 -7.269 1.00 0.00 H new ATOM 0 HA GLN A 80 5.350 9.457 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.202 7.903 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.831 9.534 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.501 8.670 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.369 9.495 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.936 11.708 -4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.112 12.731 -6.367 1.00 0.00 H new ATOM 1278 N LEU A 81 6.932 6.962 -5.969 1.00 0.00 N ATOM 1279 CA LEU A 81 8.234 6.528 -5.472 1.00 0.00 C ATOM 1280 C LEU A 81 9.282 6.562 -6.580 1.00 0.00 C ATOM 1281 O LEU A 81 10.448 6.871 -6.334 1.00 0.00 O ATOM 1282 CB LEU A 81 8.135 5.117 -4.890 1.00 0.00 C ATOM 1283 CG LEU A 81 7.227 4.984 -3.664 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.982 3.518 -3.338 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.835 5.700 -2.468 1.00 0.00 C ATOM 0 H LEU A 81 6.246 6.214 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 81 8.543 7.218 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.772 4.445 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.136 4.781 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 81 6.269 5.451 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.335 3.443 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.503 3.032 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.933 3.028 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.175 5.594 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.806 5.262 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.960 6.757 -2.702 1.00 0.00 H new ATOM 1297 N LEU A 82 8.860 6.246 -7.800 1.00 0.00 N ATOM 1298 CA LEU A 82 9.765 6.236 -8.944 1.00 0.00 C ATOM 1299 C LEU A 82 10.208 7.648 -9.310 1.00 0.00 C ATOM 1300 O LEU A 82 11.283 7.842 -9.878 1.00 0.00 O ATOM 1301 CB LEU A 82 9.093 5.572 -10.148 1.00 0.00 C ATOM 1302 CG LEU A 82 8.818 4.075 -9.994 1.00 0.00 C ATOM 1303 CD1 LEU A 82 7.997 3.559 -11.166 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.123 3.303 -9.876 1.00 0.00 C ATOM 0 H LEU A 82 7.897 5.993 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 82 10.649 5.662 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.149 6.081 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.723 5.721 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 82 8.244 3.923 -9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.812 2.492 -11.039 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.046 4.090 -11.206 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.544 3.724 -12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.908 2.240 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.722 3.462 -10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.675 3.653 -9.004 1.00 0.00 H new ATOM 1316 N GLN A 83 9.376 8.632 -8.982 1.00 0.00 N ATOM 1317 CA GLN A 83 9.685 10.025 -9.281 1.00 0.00 C ATOM 1318 C GLN A 83 10.972 10.465 -8.590 1.00 0.00 C ATOM 1319 O GLN A 83 11.583 11.463 -8.975 1.00 0.00 O ATOM 1320 CB GLN A 83 8.528 10.928 -8.853 1.00 0.00 C ATOM 1321 CG GLN A 83 7.249 10.680 -9.635 1.00 0.00 C ATOM 1322 CD GLN A 83 7.398 10.992 -11.112 1.00 0.00 C ATOM 1323 OE1 GLN A 83 7.768 10.127 -11.907 1.00 0.00 O ATOM 1324 NE2 GLN A 83 7.110 12.233 -11.488 1.00 0.00 N ATOM 0 H GLN A 83 8.483 8.490 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 83 9.829 10.113 -10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.332 10.776 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.825 11.970 -8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.951 9.638 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.448 11.290 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.807 12.918 -10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.192 12.501 -12.469 1.00 0.00 H new ATOM 1333 N ARG A 84 11.381 9.717 -7.570 1.00 0.00 N ATOM 1334 CA ARG A 84 12.598 10.033 -6.831 1.00 0.00 C ATOM 1335 C ARG A 84 13.604 8.892 -6.931 1.00 0.00 C ATOM 1336 O ARG A 84 14.812 9.104 -6.828 1.00 0.00 O ATOM 1337 CB ARG A 84 12.271 10.314 -5.361 1.00 0.00 C ATOM 1338 CG ARG A 84 13.486 10.676 -4.519 1.00 0.00 C ATOM 1339 CD ARG A 84 14.117 11.984 -4.972 1.00 0.00 C ATOM 1340 NE ARG A 84 15.313 12.309 -4.199 1.00 0.00 N ATOM 1341 CZ ARG A 84 16.057 13.393 -4.406 1.00 0.00 C ATOM 1342 NH1 ARG A 84 15.725 14.260 -5.354 1.00 0.00 N ATOM 1343 NH2 ARG A 84 17.132 13.612 -3.661 1.00 0.00 N ATOM 0 H ARG A 84 10.888 8.889 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 84 13.041 10.925 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.549 11.129 -5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.792 9.435 -4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.192 10.757 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.223 9.876 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.375 11.915 -6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.391 12.791 -4.873 1.00 0.00 H new ATOM 0 HE ARG A 84 15.594 11.668 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.897 14.097 -5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.298 15.090 -5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.389 12.950 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.702 14.443 -3.820 1.00 0.00 H new ATOM 1357 N ILE A 85 13.096 7.681 -7.139 1.00 0.00 N ATOM 1358 CA ILE A 85 13.945 6.500 -7.247 1.00 0.00 C ATOM 1359 C ILE A 85 13.599 5.682 -8.492 1.00 0.00 C ATOM 1360 O ILE A 85 12.749 4.791 -8.438 1.00 0.00 O ATOM 1361 CB ILE A 85 13.805 5.601 -6.001 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.903 6.440 -4.723 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.870 4.514 -6.010 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.526 5.683 -3.468 1.00 0.00 C ATOM 0 H ILE A 85 12.098 7.492 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 85 14.974 6.852 -7.324 1.00 0.00 H new ATOM 0 HB ILE A 85 12.825 5.124 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.923 6.812 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.255 7.311 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.758 3.888 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.757 3.901 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.859 4.973 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.620 6.341 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.496 5.334 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.190 4.827 -3.346 1.00 0.00 H new ATOM 1376 N PRO A 86 14.245 5.975 -9.638 1.00 0.00 N ATOM 1377 CA PRO A 86 13.994 5.254 -10.891 1.00 0.00 C ATOM 1378 C PRO A 86 14.549 3.832 -10.862 1.00 0.00 C ATOM 1379 O PRO A 86 14.407 3.080 -11.825 1.00 0.00 O ATOM 1380 CB PRO A 86 14.726 6.093 -11.939 1.00 0.00 C ATOM 1381 CG PRO A 86 15.810 6.781 -11.185 1.00 0.00 C ATOM 1382 CD PRO A 86 15.264 7.032 -9.805 1.00 0.00 C ATOM 0 HA PRO A 86 12.928 5.140 -11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.132 5.467 -12.734 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.055 6.811 -12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.708 6.164 -11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.089 7.717 -11.670 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.043 6.961 -9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.827 8.027 -9.721 1.00 0.00 H new ATOM 1390 N GLU A 87 15.183 3.478 -9.750 1.00 0.00 N ATOM 1391 CA GLU A 87 15.762 2.149 -9.583 1.00 0.00 C ATOM 1392 C GLU A 87 15.033 1.382 -8.485 1.00 0.00 C ATOM 1393 O GLU A 87 15.531 0.374 -7.981 1.00 0.00 O ATOM 1394 CB GLU A 87 17.250 2.262 -9.246 1.00 0.00 C ATOM 1395 CG GLU A 87 18.059 2.988 -10.308 1.00 0.00 C ATOM 1396 CD GLU A 87 19.510 3.173 -9.910 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.318 2.258 -10.169 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.838 4.236 -9.340 1.00 0.00 O ATOM 0 H GLU A 87 15.310 4.095 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 87 15.651 1.603 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.360 2.785 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.660 1.262 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.011 2.428 -11.242 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.611 3.963 -10.497 1.00 0.00 H new ATOM 1405 N PHE A 88 13.849 1.866 -8.124 1.00 0.00 N ATOM 1406 CA PHE A 88 13.048 1.239 -7.080 1.00 0.00 C ATOM 1407 C PHE A 88 12.260 0.050 -7.626 1.00 0.00 C ATOM 1408 O PHE A 88 11.805 0.066 -8.769 1.00 0.00 O ATOM 1409 CB PHE A 88 12.088 2.261 -6.469 1.00 0.00 C ATOM 1410 CG PHE A 88 11.321 1.738 -5.287 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.885 1.745 -4.021 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.036 1.241 -5.443 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.183 1.266 -2.932 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.330 0.761 -4.357 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.903 0.773 -3.100 1.00 0.00 C ATOM 0 H PHE A 88 13.422 2.693 -8.541 1.00 0.00 H new ATOM 0 HA PHE A 88 13.727 0.873 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.654 3.141 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.383 2.586 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.885 2.129 -3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.583 1.229 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.634 1.277 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.330 0.376 -4.491 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.352 0.398 -2.250 1.00 0.00 H new ATOM 1425 N ASN A 89 12.108 -0.978 -6.797 1.00 0.00 N ATOM 1426 CA ASN A 89 11.372 -2.175 -7.183 1.00 0.00 C ATOM 1427 C ASN A 89 10.295 -2.491 -6.149 1.00 0.00 C ATOM 1428 O ASN A 89 10.573 -3.093 -5.112 1.00 0.00 O ATOM 1429 CB ASN A 89 12.325 -3.362 -7.333 1.00 0.00 C ATOM 1430 CG ASN A 89 11.626 -4.604 -7.850 1.00 0.00 C ATOM 1431 OD1 ASN A 89 10.628 -4.518 -8.565 1.00 0.00 O ATOM 1432 ND2 ASN A 89 12.152 -5.771 -7.495 1.00 0.00 N ATOM 0 H ASN A 89 12.487 -1.005 -5.850 1.00 0.00 H new ATOM 0 HA ASN A 89 10.891 -1.991 -8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.132 -3.092 -8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.782 -3.581 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.727 -6.641 -7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.980 -5.797 -6.901 1.00 0.00 H new ATOM 1439 N MET A 90 9.067 -2.073 -6.440 1.00 0.00 N ATOM 1440 CA MET A 90 7.943 -2.294 -5.537 1.00 0.00 C ATOM 1441 C MET A 90 7.689 -3.784 -5.317 1.00 0.00 C ATOM 1442 O MET A 90 7.064 -4.174 -4.332 1.00 0.00 O ATOM 1443 CB MET A 90 6.683 -1.626 -6.093 1.00 0.00 C ATOM 1444 CG MET A 90 5.550 -1.526 -5.086 1.00 0.00 C ATOM 1445 SD MET A 90 5.907 -0.364 -3.754 1.00 0.00 S ATOM 1446 CE MET A 90 4.378 -0.429 -2.825 1.00 0.00 C ATOM 0 H MET A 90 8.825 -1.577 -7.298 1.00 0.00 H new ATOM 0 HA MET A 90 8.194 -1.849 -4.574 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.937 -0.625 -6.442 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.337 -2.188 -6.961 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.639 -1.217 -5.599 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.358 -2.511 -4.662 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.445 0.240 -1.967 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.551 -0.118 -3.463 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.206 -1.448 -2.479 1.00 0.00 H new ATOM 1456 N ALA A 91 8.175 -4.610 -6.237 1.00 0.00 N ATOM 1457 CA ALA A 91 7.991 -6.054 -6.138 1.00 0.00 C ATOM 1458 C ALA A 91 8.840 -6.651 -5.018 1.00 0.00 C ATOM 1459 O ALA A 91 8.315 -7.273 -4.092 1.00 0.00 O ATOM 1460 CB ALA A 91 8.326 -6.718 -7.465 1.00 0.00 C ATOM 0 H ALA A 91 8.698 -4.306 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 91 6.944 -6.242 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.185 -7.795 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.670 -6.327 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.363 -6.508 -7.725 1.00 0.00 H new ATOM 1466 N ALA A 92 10.152 -6.456 -5.104 1.00 0.00 N ATOM 1467 CA ALA A 92 11.070 -6.982 -4.099 1.00 0.00 C ATOM 1468 C ALA A 92 10.916 -6.247 -2.772 1.00 0.00 C ATOM 1469 O ALA A 92 11.201 -6.801 -1.710 1.00 0.00 O ATOM 1470 CB ALA A 92 12.505 -6.888 -4.592 1.00 0.00 C ATOM 0 H ALA A 92 10.603 -5.938 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 92 10.822 -8.030 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.178 -7.284 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.613 -7.467 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.754 -5.845 -4.789 1.00 0.00 H new ATOM 1476 N PHE A 93 10.464 -4.999 -2.839 1.00 0.00 N ATOM 1477 CA PHE A 93 10.275 -4.191 -1.641 1.00 0.00 C ATOM 1478 C PHE A 93 9.170 -4.768 -0.763 1.00 0.00 C ATOM 1479 O PHE A 93 9.360 -4.972 0.436 1.00 0.00 O ATOM 1480 CB PHE A 93 9.940 -2.746 -2.019 1.00 0.00 C ATOM 1481 CG PHE A 93 9.683 -1.861 -0.833 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.730 -1.418 -0.042 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.393 -1.476 -0.507 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.496 -0.606 1.052 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.152 -0.665 0.585 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.204 -0.230 1.366 1.00 0.00 C ATOM 0 H PHE A 93 10.222 -4.526 -3.710 1.00 0.00 H new ATOM 0 HA PHE A 93 11.207 -4.204 -1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.763 -2.331 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.061 -2.742 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.741 -1.710 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.566 -1.814 -1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.321 -0.266 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.141 -0.371 0.828 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.017 0.403 2.221 1.00 0.00 H new ATOM 1496 N THR A 94 8.015 -5.028 -1.367 1.00 0.00 N ATOM 1497 CA THR A 94 6.878 -5.580 -0.639 1.00 0.00 C ATOM 1498 C THR A 94 7.185 -6.979 -0.116 1.00 0.00 C ATOM 1499 O THR A 94 6.765 -7.345 0.981 1.00 0.00 O ATOM 1500 CB THR A 94 5.617 -5.637 -1.522 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.888 -6.381 -2.717 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.148 -4.237 -1.887 1.00 0.00 C ATOM 0 H THR A 94 7.842 -4.865 -2.359 1.00 0.00 H new ATOM 0 HA THR A 94 6.691 -4.914 0.204 1.00 0.00 H new ATOM 0 HB THR A 94 4.827 -6.132 -0.957 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.292 -5.790 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.256 -4.303 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.915 -3.683 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.936 -3.720 -2.435 1.00 0.00 H new ATOM 1510 N THR A 95 7.917 -7.757 -0.908 1.00 0.00 N ATOM 1511 CA THR A 95 8.280 -9.115 -0.521 1.00 0.00 C ATOM 1512 C THR A 95 9.053 -9.120 0.796 1.00 0.00 C ATOM 1513 O THR A 95 8.765 -9.913 1.692 1.00 0.00 O ATOM 1514 CB THR A 95 9.131 -9.801 -1.606 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.436 -9.782 -2.857 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.447 -11.238 -1.220 1.00 0.00 C ATOM 0 H THR A 95 8.270 -7.470 -1.821 1.00 0.00 H new ATOM 0 HA THR A 95 7.350 -9.670 -0.398 1.00 0.00 H new ATOM 0 HB THR A 95 10.068 -9.253 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.438 -8.871 -3.219 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.049 -11.701 -2.002 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.001 -11.249 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.518 -11.795 -1.100 1.00 0.00 H new ATOM 1524 N THR A 96 10.033 -8.229 0.904 1.00 0.00 N ATOM 1525 CA THR A 96 10.849 -8.129 2.108 1.00 0.00 C ATOM 1526 C THR A 96 10.092 -7.422 3.228 1.00 0.00 C ATOM 1527 O THR A 96 10.317 -7.693 4.409 1.00 0.00 O ATOM 1528 CB THR A 96 12.165 -7.374 1.830 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.896 -8.032 0.788 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.025 -7.294 3.082 1.00 0.00 C ATOM 0 H THR A 96 10.281 -7.565 0.171 1.00 0.00 H new ATOM 0 HA THR A 96 11.082 -9.147 2.421 1.00 0.00 H new ATOM 0 HB THR A 96 11.913 -6.360 1.518 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.532 -7.769 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.946 -6.757 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.480 -6.767 3.865 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.266 -8.301 3.423 1.00 0.00 H new ATOM 1538 N LEU A 97 9.193 -6.519 2.851 1.00 0.00 N ATOM 1539 CA LEU A 97 8.404 -5.768 3.822 1.00 0.00 C ATOM 1540 C LEU A 97 7.606 -6.709 4.722 1.00 0.00 C ATOM 1541 O LEU A 97 7.489 -6.476 5.926 1.00 0.00 O ATOM 1542 CB LEU A 97 7.455 -4.806 3.100 1.00 0.00 C ATOM 1543 CG LEU A 97 7.210 -3.469 3.808 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.331 -2.570 2.954 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.573 -3.687 5.174 1.00 0.00 C ATOM 0 H LEU A 97 8.992 -6.289 1.878 1.00 0.00 H new ATOM 0 HA LEU A 97 9.089 -5.195 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.856 -4.604 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.496 -5.305 2.961 1.00 0.00 H new ATOM 0 HG LEU A 97 8.174 -2.981 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.167 -1.625 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.822 -2.381 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.373 -3.059 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.409 -2.724 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.619 -4.199 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.235 -4.294 5.791 1.00 0.00 H new ATOM 1557 N GLN A 98 7.066 -7.772 4.131 1.00 0.00 N ATOM 1558 CA GLN A 98 6.275 -8.746 4.879 1.00 0.00 C ATOM 1559 C GLN A 98 7.025 -9.232 6.115 1.00 0.00 C ATOM 1560 O GLN A 98 6.419 -9.520 7.147 1.00 0.00 O ATOM 1561 CB GLN A 98 5.915 -9.939 3.991 1.00 0.00 C ATOM 1562 CG GLN A 98 4.993 -9.587 2.835 1.00 0.00 C ATOM 1563 CD GLN A 98 4.605 -10.799 2.006 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.372 -10.691 0.802 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.531 -11.960 2.648 1.00 0.00 N ATOM 0 H GLN A 98 7.162 -7.981 3.137 1.00 0.00 H new ATOM 0 HA GLN A 98 5.359 -8.251 5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.832 -10.373 3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.439 -10.705 4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.091 -9.115 3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.484 -8.855 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.733 -12.004 3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.273 -12.807 2.142 1.00 0.00 H new ATOM 1574 N HIS A 99 8.345 -9.321 6.002 1.00 0.00 N ATOM 1575 CA HIS A 99 9.177 -9.770 7.111 1.00 0.00 C ATOM 1576 C HIS A 99 9.585 -8.596 7.995 1.00 0.00 C ATOM 1577 O HIS A 99 9.642 -8.715 9.221 1.00 0.00 O ATOM 1578 CB HIS A 99 10.424 -10.480 6.581 1.00 0.00 C ATOM 1579 CG HIS A 99 10.118 -11.704 5.774 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.316 -12.985 6.243 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.622 -11.837 4.520 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.958 -13.854 5.314 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.533 -13.182 4.259 1.00 0.00 N ATOM 0 H HIS A 99 8.862 -9.088 5.154 1.00 0.00 H new ATOM 0 HA HIS A 99 8.595 -10.468 7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.995 -9.784 5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.059 -10.759 7.422 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.348 -11.035 3.851 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.005 -14.929 5.402 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.194 -13.596 3.391 1.00 0.00 H new ATOM 1592 N HIS A 100 9.851 -7.456 7.365 1.00 0.00 N ATOM 1593 CA HIS A 100 10.259 -6.260 8.092 1.00 0.00 C ATOM 1594 C HIS A 100 9.097 -5.699 8.903 1.00 0.00 C ATOM 1595 O HIS A 100 9.256 -4.738 9.655 1.00 0.00 O ATOM 1596 CB HIS A 100 10.784 -5.197 7.125 1.00 0.00 C ATOM 1597 CG HIS A 100 11.638 -4.159 7.785 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.122 -3.129 8.543 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.983 -3.999 7.804 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.111 -2.381 8.999 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.250 -2.889 8.566 1.00 0.00 N ATOM 0 H HIS A 100 9.791 -7.336 6.354 1.00 0.00 H new ATOM 0 HA HIS A 100 11.060 -6.538 8.777 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.361 -5.685 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.938 -4.707 6.642 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.131 -2.969 8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.710 -4.628 7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 100 12.006 -1.504 9.620 1.00 0.00 H new ATOM 1610 N LYS A 101 7.926 -6.308 8.743 1.00 0.00 N ATOM 1611 CA LYS A 101 6.735 -5.876 9.462 1.00 0.00 C ATOM 1612 C LYS A 101 6.918 -6.049 10.966 1.00 0.00 C ATOM 1613 O LYS A 101 6.255 -5.384 11.762 1.00 0.00 O ATOM 1614 CB LYS A 101 5.513 -6.664 8.987 1.00 0.00 C ATOM 1615 CG LYS A 101 4.215 -6.241 9.659 1.00 0.00 C ATOM 1616 CD LYS A 101 3.027 -7.035 9.137 1.00 0.00 C ATOM 1617 CE LYS A 101 3.132 -8.507 9.506 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.995 -9.297 8.961 1.00 0.00 N ATOM 0 H LYS A 101 7.778 -7.103 8.121 1.00 0.00 H new ATOM 0 HA LYS A 101 6.576 -4.818 9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.410 -6.543 7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.680 -7.725 9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.301 -6.380 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.046 -5.178 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.105 -6.622 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.969 -6.934 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.070 -8.911 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.158 -8.609 10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.103 -10.295 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.101 -8.928 9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.985 -9.221 7.924 1.00 0.00 H new ATOM 1632 N ASP A 102 7.824 -6.945 11.351 1.00 0.00 N ATOM 1633 CA ASP A 102 8.089 -7.198 12.763 1.00 0.00 C ATOM 1634 C ASP A 102 8.894 -6.056 13.376 1.00 0.00 C ATOM 1635 O ASP A 102 9.156 -6.043 14.579 1.00 0.00 O ATOM 1636 CB ASP A 102 8.836 -8.520 12.937 1.00 0.00 C ATOM 1637 CG ASP A 102 8.045 -9.703 12.415 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.245 -10.269 13.188 1.00 0.00 O ATOM 1639 OD2 ASP A 102 8.224 -10.062 11.232 1.00 0.00 O ATOM 0 H ASP A 102 8.384 -7.505 10.708 1.00 0.00 H new ATOM 0 HA ASP A 102 7.132 -7.263 13.281 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.791 -8.466 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.058 -8.672 13.993 1.00 0.00 H new ATOM 1644 N GLU A 103 9.281 -5.099 12.538 1.00 0.00 N ATOM 1645 CA GLU A 103 10.053 -3.947 12.992 1.00 0.00 C ATOM 1646 C GLU A 103 9.284 -2.651 12.749 1.00 0.00 C ATOM 1647 O GLU A 103 8.936 -1.939 13.692 1.00 0.00 O ATOM 1648 CB GLU A 103 11.402 -3.894 12.271 1.00 0.00 C ATOM 1649 CG GLU A 103 12.257 -2.699 12.662 1.00 0.00 C ATOM 1650 CD GLU A 103 12.648 -2.712 14.127 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.840 -2.251 14.961 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.761 -3.183 14.440 1.00 0.00 O ATOM 0 H GLU A 103 9.072 -5.099 11.540 1.00 0.00 H new ATOM 0 HA GLU A 103 10.225 -4.054 14.063 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.954 -4.810 12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.228 -3.869 11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.159 -2.687 12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.712 -1.781 12.444 1.00 0.00 H new ATOM 1659 N VAL A 104 9.023 -2.351 11.479 1.00 0.00 N ATOM 1660 CA VAL A 104 8.295 -1.143 11.111 1.00 0.00 C ATOM 1661 C VAL A 104 6.906 -1.130 11.741 1.00 0.00 C ATOM 1662 O VAL A 104 6.369 -2.179 12.100 1.00 0.00 O ATOM 1663 CB VAL A 104 8.161 -1.012 9.579 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.204 -2.059 9.027 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.706 0.389 9.198 1.00 0.00 C ATOM 0 H VAL A 104 9.306 -2.929 10.688 1.00 0.00 H new ATOM 0 HA VAL A 104 8.869 -0.296 11.488 1.00 0.00 H new ATOM 0 HB VAL A 104 9.142 -1.185 9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.126 -1.947 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.579 -3.055 9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.220 -1.926 9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.618 0.461 8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.738 0.594 9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.436 1.117 9.551 1.00 0.00 H new ATOM 1675 N ALA A 105 6.332 0.062 11.877 1.00 0.00 N ATOM 1676 CA ALA A 105 5.007 0.211 12.463 1.00 0.00 C ATOM 1677 C ALA A 105 3.981 -0.634 11.718 1.00 0.00 C ATOM 1678 O ALA A 105 3.595 -0.312 10.593 1.00 0.00 O ATOM 1679 CB ALA A 105 4.591 1.674 12.459 1.00 0.00 C ATOM 0 H ALA A 105 6.766 0.939 11.588 1.00 0.00 H new ATOM 0 HA ALA A 105 5.050 -0.141 13.494 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.599 1.771 12.900 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.305 2.257 13.041 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.570 2.044 11.434 1.00 0.00 H new ATOM 1685 N GLY A 106 3.546 -1.717 12.353 1.00 0.00 N ATOM 1686 CA GLY A 106 2.568 -2.594 11.741 1.00 0.00 C ATOM 1687 C GLY A 106 1.243 -1.901 11.497 1.00 0.00 C ATOM 1688 O GLY A 106 0.526 -2.233 10.552 1.00 0.00 O ATOM 0 H GLY A 106 3.855 -2.003 13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.960 -2.966 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.409 -3.460 12.383 1.00 0.00 H new ATOM 1692 N ASP A 107 0.916 -0.937 12.352 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.334 -0.195 12.228 1.00 0.00 C ATOM 1694 C ASP A 107 -0.363 0.627 10.942 1.00 0.00 C ATOM 1695 O ASP A 107 -1.410 0.761 10.308 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.532 0.719 13.439 1.00 0.00 C ATOM 1697 CG ASP A 107 0.618 1.688 13.625 1.00 0.00 C ATOM 1698 OD1 ASP A 107 1.589 1.331 14.324 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.547 2.807 13.073 1.00 0.00 O ATOM 0 H ASP A 107 1.499 -0.651 13.138 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.150 -0.917 12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.460 1.279 13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.639 0.110 14.337 1.00 0.00 H new ATOM 1704 N ILE A 108 0.788 1.174 10.559 1.00 0.00 N ATOM 1705 CA ILE A 108 0.879 1.982 9.346 1.00 0.00 C ATOM 1706 C ILE A 108 0.807 1.109 8.097 1.00 0.00 C ATOM 1707 O ILE A 108 0.028 1.382 7.183 1.00 0.00 O ATOM 1708 CB ILE A 108 2.182 2.807 9.306 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.259 3.739 10.519 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.269 3.604 8.009 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.571 4.487 10.630 1.00 0.00 C ATOM 0 H ILE A 108 1.666 1.073 11.068 1.00 0.00 H new ATOM 0 HA ILE A 108 0.029 2.665 9.362 1.00 0.00 H new ATOM 0 HB ILE A 108 3.029 2.122 9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.443 4.460 10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.107 3.154 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.194 4.180 7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.257 2.920 7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.418 4.282 7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.552 5.127 11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.390 3.773 10.717 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.717 5.100 9.741 1.00 0.00 H new ATOM 1723 N PHE A 109 1.617 0.054 8.064 1.00 0.00 N ATOM 1724 CA PHE A 109 1.637 -0.850 6.920 1.00 0.00 C ATOM 1725 C PHE A 109 0.304 -1.574 6.767 1.00 0.00 C ATOM 1726 O PHE A 109 -0.084 -1.933 5.659 1.00 0.00 O ATOM 1727 CB PHE A 109 2.774 -1.868 7.039 1.00 0.00 C ATOM 1728 CG PHE A 109 2.826 -2.834 5.885 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.841 -2.372 4.577 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.852 -4.201 6.108 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.879 -3.254 3.514 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.894 -5.089 5.049 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.906 -4.615 3.750 1.00 0.00 C ATOM 0 H PHE A 109 2.264 -0.194 8.812 1.00 0.00 H new ATOM 0 HA PHE A 109 1.807 -0.243 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.724 -1.337 7.103 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.658 -2.427 7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.823 -1.309 4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.839 -4.577 7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.888 -2.880 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.917 -6.152 5.236 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.936 -5.307 2.922 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.394 -1.783 7.884 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.682 -2.476 7.867 1.00 0.00 C ATOM 1745 C ASP A 110 -2.594 -1.906 6.784 1.00 0.00 C ATOM 1746 O ASP A 110 -3.432 -2.617 6.230 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.363 -2.366 9.233 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.672 -3.130 9.290 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.713 -2.555 8.903 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.657 -4.302 9.722 1.00 0.00 O ATOM 0 H ASP A 110 -0.090 -1.483 8.810 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.497 -3.527 7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.691 -2.745 10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.548 -1.316 9.460 1.00 0.00 H new ATOM 1755 N MET A 111 -2.421 -0.622 6.485 1.00 0.00 N ATOM 1756 CA MET A 111 -3.215 0.031 5.451 1.00 0.00 C ATOM 1757 C MET A 111 -2.770 -0.452 4.075 1.00 0.00 C ATOM 1758 O MET A 111 -3.585 -0.887 3.258 1.00 0.00 O ATOM 1759 CB MET A 111 -3.062 1.551 5.546 1.00 0.00 C ATOM 1760 CG MET A 111 -3.854 2.311 4.495 1.00 0.00 C ATOM 1761 SD MET A 111 -3.463 4.071 4.467 1.00 0.00 S ATOM 1762 CE MET A 111 -1.738 4.029 3.980 1.00 0.00 C ATOM 0 H MET A 111 -1.740 -0.015 6.943 1.00 0.00 H new ATOM 0 HA MET A 111 -4.264 -0.225 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.381 1.878 6.536 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.007 1.808 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.652 1.882 3.513 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.919 2.183 4.686 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.551 4.802 3.235 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.109 4.206 4.852 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.503 3.053 3.556 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.465 -0.385 3.839 1.00 0.00 N ATOM 1773 CA LEU A 112 -0.881 -0.811 2.575 1.00 0.00 C ATOM 1774 C LEU A 112 -1.035 -2.317 2.390 1.00 0.00 C ATOM 1775 O LEU A 112 -1.015 -2.822 1.270 1.00 0.00 O ATOM 1776 CB LEU A 112 0.597 -0.420 2.522 1.00 0.00 C ATOM 1777 CG LEU A 112 0.874 1.083 2.627 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.369 1.345 2.721 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.278 1.819 1.436 1.00 0.00 C ATOM 0 H LEU A 112 -0.786 -0.036 4.515 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.410 -0.311 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.121 -0.928 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.021 -0.788 1.588 1.00 0.00 H new ATOM 0 HG LEU A 112 0.402 1.457 3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.546 2.418 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.770 0.849 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.863 0.956 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.484 2.885 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.722 1.441 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.800 1.659 1.411 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.198 -3.024 3.504 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.349 -4.475 3.493 1.00 0.00 C ATOM 1793 C LEU A 113 -2.422 -4.909 2.500 1.00 0.00 C ATOM 1794 O LEU A 113 -2.383 -6.025 1.981 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.694 -4.980 4.897 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.752 -6.501 5.050 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.395 -7.126 4.758 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.221 -6.878 6.447 1.00 0.00 C ATOM 0 H LEU A 113 -1.229 -2.610 4.436 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.401 -4.912 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.956 -4.589 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.659 -4.565 5.187 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.469 -6.889 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.460 -8.208 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.096 -6.887 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.345 -6.731 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.256 -7.964 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.528 -6.474 7.185 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.215 -6.467 6.620 1.00 0.00 H new ATOM 1810 N THR A 114 -3.383 -4.023 2.246 1.00 0.00 N ATOM 1811 CA THR A 114 -4.472 -4.314 1.316 1.00 0.00 C ATOM 1812 C THR A 114 -3.965 -4.608 -0.100 1.00 0.00 C ATOM 1813 O THR A 114 -4.762 -4.787 -1.020 1.00 0.00 O ATOM 1814 CB THR A 114 -5.478 -3.151 1.253 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.815 -1.947 0.848 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.144 -2.939 2.604 1.00 0.00 C ATOM 0 H THR A 114 -3.430 -3.097 2.671 1.00 0.00 H new ATOM 0 HA THR A 114 -4.966 -5.206 1.700 1.00 0.00 H new ATOM 0 HB THR A 114 -6.246 -3.404 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.378 -1.537 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.851 -2.112 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.674 -3.846 2.895 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.385 -2.707 3.351 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.643 -4.660 -0.276 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.061 -4.945 -1.586 1.00 0.00 C ATOM 1826 C PHE A 115 -2.421 -6.357 -2.039 1.00 0.00 C ATOM 1827 O PHE A 115 -2.550 -6.620 -3.235 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.534 -4.796 -1.555 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.044 -3.372 -1.510 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.694 -2.371 -2.217 1.00 0.00 C ATOM 1831 CD2 PHE A 115 1.076 -3.039 -0.763 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.237 -1.067 -2.176 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.536 -1.737 -0.720 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.879 -0.750 -1.428 1.00 0.00 C ATOM 0 H PHE A 115 -1.961 -4.509 0.467 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.472 -4.224 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.148 -5.327 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.117 -5.282 -2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.566 -2.613 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.595 -3.807 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.753 -0.296 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.409 -1.491 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.238 0.268 -1.397 1.00 0.00 H new ATOM 1844 N THR A 116 -2.582 -7.263 -1.078 1.00 0.00 N ATOM 1845 CA THR A 116 -2.923 -8.647 -1.385 1.00 0.00 C ATOM 1846 C THR A 116 -3.831 -9.253 -0.317 1.00 0.00 C ATOM 1847 O THR A 116 -4.557 -10.211 -0.581 1.00 0.00 O ATOM 1848 CB THR A 116 -1.660 -9.519 -1.529 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.028 -10.868 -1.839 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.835 -9.496 -0.252 1.00 0.00 C ATOM 0 H THR A 116 -2.482 -7.063 -0.083 1.00 0.00 H new ATOM 0 HA THR A 116 -3.457 -8.632 -2.335 1.00 0.00 H new ATOM 0 HB THR A 116 -1.056 -9.111 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.220 -11.415 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.050 -10.119 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.530 -8.472 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.433 -9.880 0.574 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.786 -8.691 0.889 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.608 -9.185 1.991 1.00 0.00 C ATOM 1860 C ASP A 117 -6.081 -8.855 1.757 1.00 0.00 C ATOM 1861 O ASP A 117 -6.578 -7.820 2.206 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.140 -8.584 3.317 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.681 -9.337 4.518 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.078 -10.363 4.894 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.704 -8.899 5.083 1.00 0.00 O ATOM 0 H ASP A 117 -3.192 -7.897 1.127 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.499 -10.269 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.051 -8.588 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.457 -7.542 3.372 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.773 -9.744 1.050 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.187 -9.552 0.745 1.00 0.00 C ATOM 1872 C PHE A 118 -9.010 -9.398 2.020 1.00 0.00 C ATOM 1873 O PHE A 118 -10.043 -8.728 2.024 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.714 -10.728 -0.081 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.130 -10.551 -0.550 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.408 -9.830 -1.699 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.183 -11.109 0.157 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.709 -9.668 -2.135 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.487 -10.950 -0.274 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.751 -10.229 -1.422 1.00 0.00 C ATOM 0 H PHE A 118 -6.376 -10.606 0.677 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.285 -8.634 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.069 -10.869 -0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.650 -11.638 0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.598 -9.389 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.983 -11.675 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.911 -9.103 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.299 -11.389 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.769 -10.104 -1.761 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.547 -10.019 3.100 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.245 -9.949 4.379 1.00 0.00 C ATOM 1892 C LEU A 119 -9.312 -8.512 4.885 1.00 0.00 C ATOM 1893 O LEU A 119 -10.348 -8.064 5.373 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.554 -10.838 5.421 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.795 -12.346 5.274 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.279 -12.665 5.362 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.211 -12.862 3.967 1.00 0.00 C ATOM 0 H LEU A 119 -7.693 -10.576 3.115 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.262 -10.311 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.481 -10.654 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.887 -10.530 6.412 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.288 -12.852 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.427 -13.740 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.664 -12.340 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.811 -12.145 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.394 -13.933 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.683 -12.348 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.137 -12.675 3.949 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.202 -7.791 4.755 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.131 -6.405 5.208 1.00 0.00 C ATOM 1911 C ALA A 120 -8.880 -5.475 4.260 1.00 0.00 C ATOM 1912 O ALA A 120 -9.359 -4.416 4.662 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.678 -5.968 5.343 1.00 0.00 C ATOM 0 H ALA A 120 -7.340 -8.143 4.340 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.611 -6.344 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.639 -4.933 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.172 -6.606 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.181 -6.052 4.376 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.977 -5.881 2.999 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.667 -5.090 1.986 1.00 0.00 C ATOM 1921 C PHE A 121 -11.171 -5.040 2.263 1.00 0.00 C ATOM 1922 O PHE A 121 -11.762 -3.961 2.371 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.399 -5.687 0.601 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.624 -4.736 -0.541 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.073 -3.465 -0.529 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.379 -5.125 -1.637 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.270 -2.598 -1.588 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.581 -4.262 -2.698 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.026 -2.998 -2.673 1.00 0.00 C ATOM 0 H PHE A 121 -8.585 -6.757 2.653 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.287 -4.069 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.369 -6.041 0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.040 -6.558 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.482 -3.147 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.814 -6.113 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.834 -1.610 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.172 -4.576 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.183 -2.322 -3.501 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.782 -6.215 2.393 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.215 -6.309 2.657 1.00 0.00 C ATOM 1941 C LYS A 122 -13.560 -5.719 4.020 1.00 0.00 C ATOM 1942 O LYS A 122 -14.515 -4.954 4.151 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.675 -7.768 2.589 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.182 -7.942 2.715 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.586 -9.405 2.619 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.095 -9.570 2.663 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.677 -9.029 3.922 1.00 0.00 N ATOM 0 H LYS A 122 -11.307 -7.115 2.320 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.736 -5.735 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.346 -8.199 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.186 -8.331 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.518 -7.533 3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.681 -7.374 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.199 -9.830 1.693 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.134 -9.963 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.541 -9.060 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.347 -10.626 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.252 -9.763 4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.910 -8.737 4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -18.276 -8.208 3.703 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.775 -6.078 5.033 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.998 -5.584 6.384 1.00 0.00 C ATOM 1963 C GLU A 123 -12.897 -4.062 6.432 1.00 0.00 C ATOM 1964 O GLU A 123 -13.545 -3.414 7.253 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.989 -6.209 7.347 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.253 -7.680 7.632 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.209 -8.292 8.547 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.352 -8.164 9.781 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.248 -8.899 8.028 1.00 0.00 O ATOM 0 H GLU A 123 -11.979 -6.710 4.941 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.005 -5.869 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -10.987 -6.102 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -12.005 -5.656 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -13.238 -7.787 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.275 -8.231 6.692 1.00 0.00 H new ATOM 1976 N MET A 124 -12.082 -3.497 5.546 1.00 0.00 N ATOM 1977 CA MET A 124 -11.904 -2.051 5.489 1.00 0.00 C ATOM 1978 C MET A 124 -13.187 -1.366 5.033 1.00 0.00 C ATOM 1979 O MET A 124 -13.617 -0.378 5.626 1.00 0.00 O ATOM 1980 CB MET A 124 -10.750 -1.690 4.550 1.00 0.00 C ATOM 1981 CG MET A 124 -10.560 -0.191 4.360 1.00 0.00 C ATOM 1982 SD MET A 124 -11.302 0.415 2.836 1.00 0.00 S ATOM 1983 CE MET A 124 -10.208 -0.324 1.630 1.00 0.00 C ATOM 0 H MET A 124 -11.536 -4.018 4.860 1.00 0.00 H new ATOM 0 HA MET A 124 -11.663 -1.699 6.492 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.827 -2.117 4.942 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.927 -2.151 3.578 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.997 0.337 5.207 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.494 0.039 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.238 0.256 0.708 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.190 -0.333 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.528 -1.346 1.427 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.796 -1.898 3.976 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.032 -1.327 3.448 1.00 0.00 C ATOM 1995 C PHE A 125 -16.181 -1.481 4.441 1.00 0.00 C ATOM 1996 O PHE A 125 -16.878 -0.514 4.748 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.401 -1.982 2.117 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.387 -1.747 1.036 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.012 -0.459 0.688 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.807 -2.812 0.370 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.077 -0.240 -0.306 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.874 -2.600 -0.625 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.508 -1.311 -0.963 1.00 0.00 C ATOM 0 H PHE A 125 -13.457 -2.717 3.472 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.861 -0.263 3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.518 -3.055 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.367 -1.600 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.455 0.383 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.088 -3.822 0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.792 0.768 -0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.431 -3.440 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.778 -1.142 -1.740 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.376 -2.700 4.937 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.443 -2.969 5.896 1.00 0.00 C ATOM 2015 C LEU A 126 -17.319 -2.063 7.116 1.00 0.00 C ATOM 2016 O LEU A 126 -18.321 -1.671 7.714 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.421 -4.437 6.329 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.213 -5.392 5.433 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.624 -5.435 4.030 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.243 -6.785 6.042 1.00 0.00 C ATOM 0 H LEU A 126 -15.812 -3.514 4.692 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.394 -2.761 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.385 -4.773 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.814 -4.506 7.343 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.236 -5.022 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.204 -6.121 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.655 -4.437 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.590 -5.778 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.810 -7.453 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.224 -7.158 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.717 -6.743 7.023 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.084 -1.732 7.480 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.834 -0.864 8.625 1.00 0.00 C ATOM 2034 C ASP A 127 -16.348 0.544 8.346 1.00 0.00 C ATOM 2035 O ASP A 127 -17.020 1.149 9.182 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.339 -0.823 8.949 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.040 -0.008 10.192 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.877 1.224 10.069 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.970 -0.602 11.289 1.00 0.00 O ATOM 0 H ASP A 127 -15.243 -2.051 7.000 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.367 -1.268 9.486 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.972 -1.840 9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.798 -0.401 8.102 1.00 0.00 H new ATOM 2044 N TYR A 128 -16.024 1.057 7.162 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.454 2.390 6.758 1.00 0.00 C ATOM 2046 C TYR A 128 -17.976 2.494 6.783 1.00 0.00 C ATOM 2047 O TYR A 128 -18.534 3.506 7.206 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.929 2.708 5.354 1.00 0.00 C ATOM 2049 CG TYR A 128 -16.246 4.110 4.883 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.399 5.169 5.179 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -17.391 4.372 4.139 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.682 6.451 4.748 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.681 5.652 3.705 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.824 6.687 4.012 1.00 0.00 C ATOM 2055 OH TYR A 128 -17.109 7.963 3.581 1.00 0.00 O ATOM 0 H TYR A 128 -15.463 0.567 6.465 1.00 0.00 H new ATOM 0 HA TYR A 128 -16.046 3.114 7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.848 2.567 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -16.353 1.994 4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.504 4.988 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -18.064 3.563 3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -15.012 7.264 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -18.575 5.840 3.128 1.00 0.00 H new ATOM 0 HH TYR A 128 -17.948 7.958 3.075 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.639 1.434 6.328 1.00 0.00 N ATOM 2066 CA ARG A 129 -20.097 1.395 6.294 1.00 0.00 C ATOM 2067 C ARG A 129 -20.676 1.365 7.705 1.00 0.00 C ATOM 2068 O ARG A 129 -21.672 2.029 7.992 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.573 0.168 5.512 1.00 0.00 C ATOM 2070 CG ARG A 129 -22.085 0.026 5.461 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.501 -1.301 4.846 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.951 -1.481 4.860 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.575 -2.498 4.270 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.880 -3.418 3.616 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.896 -2.592 4.335 1.00 0.00 N ATOM 0 H ARG A 129 -18.188 0.589 5.977 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.448 2.299 5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -20.188 0.225 4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.148 -0.728 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.493 0.105 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.509 0.846 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -22.139 -1.354 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.029 -2.118 5.393 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.517 -0.788 5.350 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.864 -3.348 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.361 -4.196 3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.433 -1.885 4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.375 -3.371 3.883 1.00 0.00 H new ATOM 2089 N ALA A 130 -20.046 0.588 8.580 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.498 0.464 9.962 1.00 0.00 C ATOM 2091 C ALA A 130 -20.483 1.812 10.674 1.00 0.00 C ATOM 2092 O ALA A 130 -21.310 2.070 11.549 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.635 -0.541 10.709 1.00 0.00 C ATOM 0 H ALA A 130 -19.219 0.034 8.356 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.528 0.106 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.982 -0.624 11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.705 -1.514 10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.598 -0.206 10.702 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.539 2.669 10.296 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.422 3.992 10.902 1.00 0.00 C ATOM 2101 C GLU A 131 -20.647 4.844 10.585 1.00 0.00 C ATOM 2102 O GLU A 131 -21.030 5.713 11.370 1.00 0.00 O ATOM 2103 CB GLU A 131 -18.155 4.696 10.411 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.868 4.001 10.828 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.743 3.854 12.333 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -17.206 2.825 12.869 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.181 4.766 12.975 1.00 0.00 O ATOM 0 H GLU A 131 -18.845 2.472 9.575 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.359 3.863 11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -18.185 4.763 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.146 5.717 10.793 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.826 3.015 10.366 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.016 4.566 10.450 1.00 0.00 H new ATOM 2114 N LYS A 132 -21.257 4.591 9.430 1.00 0.00 N ATOM 2115 CA LYS A 132 -22.439 5.335 9.008 1.00 0.00 C ATOM 2116 C LYS A 132 -23.585 5.154 10.000 1.00 0.00 C ATOM 2117 O LYS A 132 -24.420 6.042 10.167 1.00 0.00 O ATOM 2118 CB LYS A 132 -22.883 4.884 7.614 1.00 0.00 C ATOM 2119 CG LYS A 132 -21.851 5.139 6.527 1.00 0.00 C ATOM 2120 CD LYS A 132 -21.627 6.627 6.304 1.00 0.00 C ATOM 2121 CE LYS A 132 -20.622 6.876 5.192 1.00 0.00 C ATOM 2122 NZ LYS A 132 -20.421 8.329 4.939 1.00 0.00 N ATOM 0 H LYS A 132 -20.952 3.876 8.770 1.00 0.00 H new ATOM 0 HA LYS A 132 -22.175 6.392 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -23.110 3.818 7.643 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -23.807 5.400 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -20.908 4.666 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -22.180 4.677 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -22.574 7.106 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -21.272 7.085 7.227 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -19.668 6.418 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -20.966 6.393 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -19.728 8.456 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -21.325 8.762 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -20.069 8.786 5.804 1.00 0.00 H new ATOM 2136 N GLU A 133 -23.618 3.997 10.654 1.00 0.00 N ATOM 2137 CA GLU A 133 -24.665 3.699 11.627 1.00 0.00 C ATOM 2138 C GLU A 133 -24.075 3.485 13.017 1.00 0.00 C ATOM 2139 O GLU A 133 -24.752 2.990 13.920 1.00 0.00 O ATOM 2140 CB GLU A 133 -25.451 2.460 11.196 1.00 0.00 C ATOM 2141 CG GLU A 133 -26.080 2.588 9.817 1.00 0.00 C ATOM 2142 CD GLU A 133 -26.859 1.352 9.415 1.00 0.00 C ATOM 2143 OE1 GLU A 133 -26.242 0.409 8.876 1.00 0.00 O ATOM 2144 OE2 GLU A 133 -28.088 1.326 9.638 1.00 0.00 O ATOM 0 H GLU A 133 -22.933 3.251 10.529 1.00 0.00 H new ATOM 0 HA GLU A 133 -25.340 4.553 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -24.786 1.597 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -26.235 2.265 11.927 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -26.744 3.452 9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -25.298 2.776 9.081 1.00 0.00 H new ATOM 2151 N GLY A 134 -22.810 3.861 13.184 1.00 0.00 N ATOM 2152 CA GLY A 134 -22.151 3.703 14.467 1.00 0.00 C ATOM 2153 C GLY A 134 -21.198 4.842 14.771 1.00 0.00 C ATOM 2154 O GLY A 134 -19.983 4.647 14.816 1.00 0.00 O ATOM 0 H GLY A 134 -22.230 4.272 12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -22.903 3.642 15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -21.602 2.761 14.477 1.00 0.00 H new ATOM 2158 N ARG A 135 -21.751 6.032 14.983 1.00 0.00 N ATOM 2159 CA ARG A 135 -20.942 7.208 15.285 1.00 0.00 C ATOM 2160 C ARG A 135 -21.660 8.122 16.271 1.00 0.00 C ATOM 2161 O ARG A 135 -22.761 8.603 16.000 1.00 0.00 O ATOM 2162 CB ARG A 135 -20.618 7.971 14.000 1.00 0.00 C ATOM 2163 CG ARG A 135 -19.740 9.193 14.219 1.00 0.00 C ATOM 2164 CD ARG A 135 -19.402 9.873 12.904 1.00 0.00 C ATOM 2165 NE ARG A 135 -18.669 8.985 12.006 1.00 0.00 N ATOM 2166 CZ ARG A 135 -18.587 9.166 10.692 1.00 0.00 C ATOM 2167 NH1 ARG A 135 -19.194 10.197 10.120 1.00 0.00 N ATOM 2168 NH2 ARG A 135 -17.897 8.314 9.946 1.00 0.00 N ATOM 0 H ARG A 135 -22.755 6.208 14.951 1.00 0.00 H new ATOM 0 HA ARG A 135 -20.011 6.873 15.743 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -20.120 7.297 13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -21.550 8.284 13.529 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -20.251 9.898 14.874 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -18.821 8.897 14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -20.321 10.203 12.419 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -18.807 10.765 13.099 1.00 0.00 H new ATOM 0 HE ARG A 135 -18.192 8.179 12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -19.727 10.855 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -19.128 10.332 9.111 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -17.429 7.519 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.835 8.454 8.938 1.00 0.00 H new ATOM 2182 N GLY A 136 -21.027 8.360 17.415 1.00 0.00 N ATOM 2183 CA GLY A 136 -21.616 9.215 18.429 1.00 0.00 C ATOM 2184 C GLY A 136 -20.861 10.518 18.599 1.00 0.00 C ATOM 2185 O GLY A 136 -19.921 10.557 19.422 1.00 0.00 O ATOM 2186 OXT GLY A 136 -21.207 11.500 17.909 1.00 0.00 O ATOM 0 H GLY A 136 -20.114 7.975 17.658 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -22.651 9.430 18.162 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -21.636 8.684 19.381 1.00 0.00 H new TER 2190 GLY A 136