USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 243 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 73 SER OG : rot 180:sc= 0.549 USER MOD Set 1.2: A 93 ASN : amide:sc= 1.11 K(o=1.7,f=-4.9!) USER MOD Set 2.1: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 47 THR OG1 : rot 180:sc= -0.0147 USER MOD Set 3.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 18 SER OG : rot 180:sc= -0.0097 USER MOD Set 4.2: A 22 TYR OH : rot 147:sc= 1.3 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0989 K(o=-0.099,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -1.49 (180deg=-2) USER MOD Single : A 23 TYR OH : rot -20:sc= -1.63! USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 32 HIS : no HE2:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 34 GLN : amide:sc= 0.678 K(o=0.68,f=-0.0065) USER MOD Single : A 37 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.027) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 173:sc= 0.18 USER MOD Single : A 51 SER OG : rot -29:sc= 0.765 USER MOD Single : A 53 TYR OH : rot 175:sc= 1.75 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.28 K(o=-0.28,f=-6.9!) USER MOD Single : A 60 THR OG1 : rot -56:sc= 0.177 USER MOD Single : A 62 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-0.037) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.64! K(o=-2.6!,f=-1.1) USER MOD Single : A 66 THR OG1 : rot 130:sc= 0.79 USER MOD Single : A 69 ASN : amide:sc= -7.94! K(o=-7.9!,f=-0.81) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00746 K(o=-0.0075,f=-0.52) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 74 SER OG : rot 72:sc= 0.165 USER MOD Single : A 83 ASN : amide:sc= -1.14! C(o=-1.1!,f=-3.4!) USER MOD Single : A 85 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD Single : A 86 LYS NZ :NH3+ 134:sc= -1.54 (180deg=-4.32!) USER MOD Single : A 90 THR OG1 : rot 89:sc= 0.528 USER MOD Single : A 92 MET CE :methyl -166:sc=-0.00659 (180deg=-0.234) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -165:sc= -0.0194 (180deg=-0.286) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= 0.323 (180deg=-0.0587) USER MOD Single : A 108 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.071) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 -0.302 -12.909 -8.382 1.00 0.00 N ATOM 26 CA GLU A 4 0.923 -12.844 -9.197 1.00 0.00 C ATOM 27 C GLU A 4 0.620 -12.052 -10.471 1.00 0.00 C ATOM 28 O GLU A 4 0.005 -12.559 -11.405 1.00 0.00 O ATOM 29 CB GLU A 4 1.415 -14.259 -9.523 1.00 0.00 C ATOM 30 CG GLU A 4 1.984 -14.942 -8.278 1.00 0.00 C ATOM 31 CD GLU A 4 1.566 -16.412 -8.236 1.00 0.00 C ATOM 32 OE1 GLU A 4 2.289 -17.231 -8.840 1.00 0.00 O ATOM 33 OE2 GLU A 4 0.526 -16.673 -7.593 1.00 0.00 O ATOM 0 HA GLU A 4 1.717 -12.340 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.592 -14.851 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.180 -14.212 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.071 -14.867 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.631 -14.431 -7.382 1.00 0.00 H new ATOM 35 N GLN A 5 1.026 -10.785 -10.403 1.00 0.00 N ATOM 36 CA GLN A 5 0.793 -9.738 -11.424 1.00 0.00 C ATOM 37 C GLN A 5 -0.679 -9.273 -11.424 1.00 0.00 C ATOM 38 O GLN A 5 -1.514 -9.776 -12.174 1.00 0.00 O ATOM 39 CB GLN A 5 1.244 -10.173 -12.830 1.00 0.00 C ATOM 40 CG GLN A 5 2.723 -10.566 -12.894 1.00 0.00 C ATOM 41 CD GLN A 5 2.991 -11.442 -14.121 1.00 0.00 C ATOM 42 OE1 GLN A 5 3.478 -11.008 -15.153 1.00 0.00 O ATOM 43 NE2 GLN A 5 2.670 -12.713 -14.010 1.00 0.00 N ATOM 0 H GLN A 5 1.551 -10.434 -9.602 1.00 0.00 H new ATOM 0 HA GLN A 5 1.415 -8.887 -11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.636 -11.017 -13.155 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.060 -9.359 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.342 -9.670 -12.937 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.002 -11.103 -11.988 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.264 -13.063 -13.142 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.827 -13.349 -14.792 1.00 0.00 H new ATOM 47 N PHE A 6 -0.896 -8.249 -10.593 1.00 0.00 N ATOM 48 CA PHE A 6 -2.158 -7.527 -10.279 1.00 0.00 C ATOM 49 C PHE A 6 -2.256 -7.109 -8.808 1.00 0.00 C ATOM 50 O PHE A 6 -2.438 -7.934 -7.913 1.00 0.00 O ATOM 51 CB PHE A 6 -3.475 -8.228 -10.646 1.00 0.00 C ATOM 52 CG PHE A 6 -4.094 -7.663 -11.926 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.366 -6.302 -12.036 1.00 0.00 C ATOM 54 CD2 PHE A 6 -4.604 -8.541 -12.875 1.00 0.00 C ATOM 55 CE1 PHE A 6 -5.164 -5.826 -13.068 1.00 0.00 C ATOM 56 CE2 PHE A 6 -5.406 -8.066 -13.907 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.690 -6.709 -14.002 1.00 0.00 C ATOM 0 H PHE A 6 -0.119 -7.856 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.064 -6.663 -10.937 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.293 -9.295 -10.773 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.183 -8.121 -9.824 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.954 -5.612 -11.314 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.377 -9.595 -12.811 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.375 -4.770 -13.144 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.809 -8.753 -14.636 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.318 -6.342 -14.800 1.00 0.00 H new ATOM 64 N GLU A 7 -1.877 -5.858 -8.575 1.00 0.00 N ATOM 65 CA GLU A 7 -2.020 -5.210 -7.256 1.00 0.00 C ATOM 66 C GLU A 7 -2.737 -3.858 -7.376 1.00 0.00 C ATOM 67 O GLU A 7 -2.174 -2.900 -7.897 1.00 0.00 O ATOM 68 CB GLU A 7 -0.639 -5.049 -6.606 1.00 0.00 C ATOM 69 CG GLU A 7 0.016 -6.382 -6.224 1.00 0.00 C ATOM 70 CD GLU A 7 -0.579 -6.989 -4.949 1.00 0.00 C ATOM 71 OE1 GLU A 7 -1.778 -7.344 -4.961 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.171 -7.017 -3.948 1.00 0.00 O ATOM 0 H GLU A 7 -1.462 -5.257 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.635 -5.845 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.017 -4.514 -7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.736 -4.432 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.100 -7.088 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.086 -6.229 -6.084 1.00 0.00 H new ATOM 74 N LEU A 8 -4.022 -3.865 -7.038 1.00 0.00 N ATOM 75 CA LEU A 8 -4.879 -2.659 -7.065 1.00 0.00 C ATOM 76 C LEU A 8 -5.258 -2.207 -5.653 1.00 0.00 C ATOM 77 O LEU A 8 -5.868 -2.952 -4.887 1.00 0.00 O ATOM 78 CB LEU A 8 -6.152 -2.900 -7.887 1.00 0.00 C ATOM 79 CG LEU A 8 -6.065 -2.376 -9.327 1.00 0.00 C ATOM 80 CD1 LEU A 8 -5.112 -3.202 -10.194 1.00 0.00 C ATOM 81 CD2 LEU A 8 -7.463 -2.343 -9.945 1.00 0.00 C ATOM 0 H LEU A 8 -4.512 -4.706 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.297 -1.868 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.361 -3.969 -7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.993 -2.422 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.656 -1.366 -9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.087 -2.789 -11.202 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.111 -3.171 -9.765 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.458 -4.235 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.400 -1.971 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.882 -3.349 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.105 -1.686 -9.358 1.00 0.00 H new ATOM 83 N PHE A 9 -4.745 -1.034 -5.297 1.00 0.00 N ATOM 84 CA PHE A 9 -4.945 -0.461 -3.950 1.00 0.00 C ATOM 85 C PHE A 9 -5.538 0.959 -3.983 1.00 0.00 C ATOM 86 O PHE A 9 -5.157 1.788 -4.805 1.00 0.00 O ATOM 87 CB PHE A 9 -3.615 -0.500 -3.188 1.00 0.00 C ATOM 88 CG PHE A 9 -3.020 -1.917 -3.122 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.594 -2.899 -2.320 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.815 -2.173 -3.761 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.928 -4.100 -2.101 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.157 -3.378 -3.548 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.703 -4.338 -2.709 1.00 0.00 C ATOM 0 H PHE A 9 -4.184 -0.451 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.683 -1.070 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.902 0.168 -3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.768 -0.125 -2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.559 -2.728 -1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.388 -1.435 -4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.365 -4.849 -1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.214 -3.568 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.178 -5.265 -2.530 1.00 0.00 H new ATOM 100 N SER A 10 -6.451 1.218 -3.048 1.00 0.00 N ATOM 101 CA SER A 10 -7.199 2.497 -2.978 1.00 0.00 C ATOM 102 C SER A 10 -7.138 3.142 -1.585 1.00 0.00 C ATOM 103 O SER A 10 -7.685 2.586 -0.631 1.00 0.00 O ATOM 104 CB SER A 10 -8.680 2.269 -3.322 1.00 0.00 C ATOM 105 OG SER A 10 -8.826 1.548 -4.549 1.00 0.00 O ATOM 0 H SER A 10 -6.701 0.556 -2.314 1.00 0.00 H new ATOM 0 HA SER A 10 -6.725 3.165 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.162 1.718 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.189 3.230 -3.400 1.00 0.00 H new ATOM 0 HG SER A 10 -9.778 1.417 -4.740 1.00 0.00 H new ATOM 108 N ILE A 11 -6.482 4.300 -1.473 1.00 0.00 N ATOM 109 CA ILE A 11 -6.408 5.037 -0.186 1.00 0.00 C ATOM 110 C ILE A 11 -7.766 5.647 0.210 1.00 0.00 C ATOM 111 O ILE A 11 -8.448 6.212 -0.635 1.00 0.00 O ATOM 112 CB ILE A 11 -5.286 6.107 -0.191 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.817 6.448 1.225 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.618 7.412 -0.918 1.00 0.00 C ATOM 115 CD1 ILE A 11 -3.958 5.326 1.804 1.00 0.00 C ATOM 0 H ILE A 11 -5.994 4.754 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.149 4.303 0.577 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.491 5.624 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.246 7.376 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.681 6.617 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.765 8.088 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.842 7.199 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.484 7.880 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.639 5.595 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.540 4.405 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.082 5.176 1.173 1.00 0.00 H new ATOM 117 N ASP A 12 -8.025 5.697 1.514 1.00 0.00 N ATOM 118 CA ASP A 12 -9.204 6.402 2.067 1.00 0.00 C ATOM 119 C ASP A 12 -9.126 7.942 2.089 1.00 0.00 C ATOM 120 O ASP A 12 -10.143 8.589 2.318 1.00 0.00 O ATOM 121 CB ASP A 12 -9.472 5.893 3.485 1.00 0.00 C ATOM 122 CG ASP A 12 -10.960 5.955 3.836 1.00 0.00 C ATOM 123 OD1 ASP A 12 -11.694 5.068 3.351 1.00 0.00 O ATOM 124 OD2 ASP A 12 -11.321 6.904 4.562 1.00 0.00 O ATOM 0 H ASP A 12 -7.436 5.258 2.221 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.018 6.172 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.119 4.866 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.904 6.489 4.199 1.00 0.00 H new ATOM 126 N LYS A 13 -7.968 8.500 1.722 1.00 0.00 N ATOM 127 CA LYS A 13 -7.584 9.915 1.974 1.00 0.00 C ATOM 128 C LYS A 13 -7.756 10.381 3.436 1.00 0.00 C ATOM 129 O LYS A 13 -7.867 11.565 3.740 1.00 0.00 O ATOM 130 CB LYS A 13 -8.243 10.907 1.005 1.00 0.00 C ATOM 131 CG LYS A 13 -7.625 10.866 -0.396 1.00 0.00 C ATOM 132 CD LYS A 13 -7.888 12.170 -1.155 1.00 0.00 C ATOM 133 CE LYS A 13 -6.936 13.278 -0.686 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.314 14.593 -1.222 1.00 0.00 N ATOM 0 H LYS A 13 -7.245 7.977 1.228 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.512 9.919 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.308 10.686 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.153 11.916 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.551 10.698 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.039 10.027 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.761 12.005 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.921 12.483 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.935 13.317 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.919 13.038 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.645 15.312 -0.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.291 14.564 -2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.274 14.835 -0.904 1.00 0.00 H new ATOM 139 N PHE A 14 -7.521 9.424 4.330 1.00 0.00 N ATOM 140 CA PHE A 14 -7.674 9.595 5.788 1.00 0.00 C ATOM 141 C PHE A 14 -6.495 10.301 6.491 1.00 0.00 C ATOM 142 O PHE A 14 -6.608 10.685 7.652 1.00 0.00 O ATOM 143 CB PHE A 14 -7.943 8.211 6.391 1.00 0.00 C ATOM 144 CG PHE A 14 -8.660 8.295 7.741 1.00 0.00 C ATOM 145 CD1 PHE A 14 -9.858 8.993 7.860 1.00 0.00 C ATOM 146 CD2 PHE A 14 -8.064 7.751 8.871 1.00 0.00 C ATOM 147 CE1 PHE A 14 -10.443 9.164 9.109 1.00 0.00 C ATOM 148 CE2 PHE A 14 -8.646 7.923 10.119 1.00 0.00 C ATOM 149 CZ PHE A 14 -9.834 8.633 10.240 1.00 0.00 C ATOM 0 H PHE A 14 -7.213 8.488 4.066 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.511 10.273 5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.547 7.626 5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.998 7.682 6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.334 9.402 6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.144 7.192 8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.371 9.709 9.201 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.175 7.505 10.996 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.284 8.772 11.212 1.00 0.00 H new ATOM 156 N LYS A 15 -5.366 10.406 5.783 1.00 0.00 N ATOM 157 CA LYS A 15 -4.098 11.030 6.233 1.00 0.00 C ATOM 158 C LYS A 15 -3.768 10.920 7.737 1.00 0.00 C ATOM 159 O LYS A 15 -3.706 11.889 8.492 1.00 0.00 O ATOM 160 CB LYS A 15 -3.948 12.448 5.638 1.00 0.00 C ATOM 161 CG LYS A 15 -5.166 13.378 5.758 1.00 0.00 C ATOM 162 CD LYS A 15 -5.229 14.142 7.085 1.00 0.00 C ATOM 163 CE LYS A 15 -6.590 14.804 7.329 1.00 0.00 C ATOM 164 NZ LYS A 15 -6.950 15.790 6.299 1.00 0.00 N ATOM 0 H LYS A 15 -5.299 10.043 4.832 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.305 10.409 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.100 12.933 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.698 12.349 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.147 14.095 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.075 12.788 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.012 13.456 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.452 14.906 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.359 14.033 7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.579 15.294 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.879 16.201 6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.235 16.545 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.991 15.323 5.371 1.00 0.00 H new ATOM 169 N CYS A 16 -3.346 9.709 8.090 1.00 0.00 N ATOM 170 CA CYS A 16 -3.049 9.334 9.485 1.00 0.00 C ATOM 171 C CYS A 16 -1.681 9.905 9.904 1.00 0.00 C ATOM 172 O CYS A 16 -0.669 9.273 9.649 1.00 0.00 O ATOM 173 CB CYS A 16 -3.015 7.800 9.602 1.00 0.00 C ATOM 174 SG CYS A 16 -4.578 6.862 9.436 1.00 0.00 S ATOM 0 H CYS A 16 -3.197 8.953 7.422 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.822 9.740 10.137 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.326 7.427 8.844 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.585 7.554 10.573 1.00 0.00 H new ATOM 176 N ASN A 17 -1.626 11.141 10.398 1.00 0.00 N ATOM 177 CA ASN A 17 -0.393 11.767 10.947 1.00 0.00 C ATOM 178 C ASN A 17 0.777 11.832 9.926 1.00 0.00 C ATOM 179 O ASN A 17 0.803 12.755 9.114 1.00 0.00 O ATOM 180 CB ASN A 17 -0.073 11.081 12.293 1.00 0.00 C ATOM 181 CG ASN A 17 1.181 11.595 13.003 1.00 0.00 C ATOM 182 OD1 ASN A 17 2.259 11.026 12.909 1.00 0.00 O ATOM 183 ND2 ASN A 17 1.038 12.653 13.769 1.00 0.00 N ATOM 0 H ASN A 17 -2.439 11.755 10.435 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.562 12.825 11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.926 11.208 12.959 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.040 10.011 12.120 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.834 13.012 14.297 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.131 13.116 13.836 1.00 0.00 H new ATOM 187 N SER A 18 1.789 10.968 10.049 1.00 0.00 N ATOM 188 CA SER A 18 2.852 10.764 9.033 1.00 0.00 C ATOM 189 C SER A 18 2.253 10.127 7.762 1.00 0.00 C ATOM 190 O SER A 18 1.092 9.725 7.763 1.00 0.00 O ATOM 191 CB SER A 18 3.954 9.880 9.634 1.00 0.00 C ATOM 192 OG SER A 18 5.081 9.758 8.758 1.00 0.00 O ATOM 0 H SER A 18 1.904 10.374 10.870 1.00 0.00 H new ATOM 0 HA SER A 18 3.287 11.722 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.278 10.301 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.550 8.890 9.845 1.00 0.00 H new ATOM 0 HG SER A 18 5.761 9.190 9.177 1.00 0.00 H new ATOM 195 N GLU A 19 3.061 9.932 6.715 1.00 0.00 N ATOM 196 CA GLU A 19 2.579 9.438 5.402 1.00 0.00 C ATOM 197 C GLU A 19 1.555 10.378 4.734 1.00 0.00 C ATOM 198 O GLU A 19 0.485 10.652 5.269 1.00 0.00 O ATOM 199 CB GLU A 19 2.102 7.979 5.576 1.00 0.00 C ATOM 200 CG GLU A 19 0.995 7.415 4.674 1.00 0.00 C ATOM 201 CD GLU A 19 -0.404 8.012 4.880 1.00 0.00 C ATOM 202 OE1 GLU A 19 -1.043 7.687 5.906 1.00 0.00 O ATOM 203 OE2 GLU A 19 -0.895 8.603 3.892 1.00 0.00 O ATOM 0 H GLU A 19 4.065 10.109 6.744 1.00 0.00 H new ATOM 0 HA GLU A 19 3.401 9.440 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.975 7.337 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.766 7.870 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.286 7.569 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.937 6.338 4.832 1.00 0.00 H new ATOM 205 N ALA A 20 1.936 10.829 3.541 1.00 0.00 N ATOM 206 CA ALA A 20 1.099 11.590 2.578 1.00 0.00 C ATOM 207 C ALA A 20 1.909 12.012 1.341 1.00 0.00 C ATOM 208 O ALA A 20 1.984 11.229 0.402 1.00 0.00 O ATOM 209 CB ALA A 20 0.325 12.779 3.171 1.00 0.00 C ATOM 0 H ALA A 20 2.881 10.673 3.190 1.00 0.00 H new ATOM 0 HA ALA A 20 0.325 10.884 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.253 13.265 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.349 12.422 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.028 13.494 3.599 1.00 0.00 H new ATOM 211 N LYS A 21 2.695 13.089 1.444 1.00 0.00 N ATOM 212 CA LYS A 21 3.509 13.639 0.333 1.00 0.00 C ATOM 213 C LYS A 21 4.411 12.595 -0.356 1.00 0.00 C ATOM 214 O LYS A 21 4.083 12.111 -1.437 1.00 0.00 O ATOM 215 CB LYS A 21 4.346 14.835 0.812 1.00 0.00 C ATOM 216 CG LYS A 21 3.508 16.052 1.218 1.00 0.00 C ATOM 217 CD LYS A 21 3.749 16.446 2.681 1.00 0.00 C ATOM 218 CE LYS A 21 3.024 15.538 3.682 1.00 0.00 C ATOM 219 NZ LYS A 21 1.569 15.746 3.627 1.00 0.00 N ATOM 0 H LYS A 21 2.791 13.618 2.311 1.00 0.00 H new ATOM 0 HA LYS A 21 2.795 13.970 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.954 14.524 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.033 15.127 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.752 16.894 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.451 15.831 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.819 16.419 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.422 17.475 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.254 14.495 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.386 15.741 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.128 15.338 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.365 16.765 3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.184 15.282 2.780 1.00 0.00 H new ATOM 224 N TYR A 22 5.524 12.246 0.291 1.00 0.00 N ATOM 225 CA TYR A 22 6.462 11.192 -0.153 1.00 0.00 C ATOM 226 C TYR A 22 5.779 9.841 -0.447 1.00 0.00 C ATOM 227 O TYR A 22 6.011 9.239 -1.490 1.00 0.00 O ATOM 228 CB TYR A 22 7.572 11.039 0.898 1.00 0.00 C ATOM 229 CG TYR A 22 7.113 10.470 2.248 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.281 11.192 3.100 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.494 9.179 2.590 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.824 10.621 4.279 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.045 8.609 3.771 1.00 0.00 C ATOM 234 CZ TYR A 22 6.207 9.329 4.612 1.00 0.00 C ATOM 235 OH TYR A 22 5.694 8.743 5.720 1.00 0.00 O ATOM 0 H TYR A 22 5.813 12.694 1.160 1.00 0.00 H new ATOM 0 HA TYR A 22 6.887 11.508 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.349 10.391 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.028 12.014 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.991 12.200 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.142 8.617 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.173 11.180 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.346 7.607 4.037 1.00 0.00 H new ATOM 0 HH TYR A 22 5.601 7.779 5.567 1.00 0.00 H new ATOM 242 N TYR A 23 4.756 9.540 0.352 1.00 0.00 N ATOM 243 CA TYR A 23 3.928 8.334 0.192 1.00 0.00 C ATOM 244 C TYR A 23 3.254 8.318 -1.190 1.00 0.00 C ATOM 245 O TYR A 23 3.702 7.579 -2.059 1.00 0.00 O ATOM 246 CB TYR A 23 2.916 8.258 1.335 1.00 0.00 C ATOM 247 CG TYR A 23 2.719 6.808 1.773 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.615 6.252 2.680 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.596 6.099 1.367 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.388 4.986 3.193 1.00 0.00 C ATOM 251 CE2 TYR A 23 1.361 4.834 1.885 1.00 0.00 C ATOM 252 CZ TYR A 23 2.252 4.290 2.802 1.00 0.00 C ATOM 253 OH TYR A 23 2.014 3.053 3.284 1.00 0.00 O ATOM 0 H TYR A 23 4.472 10.127 1.136 1.00 0.00 H new ATOM 0 HA TYR A 23 4.557 7.445 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.263 8.856 2.178 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.964 8.681 1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.489 6.808 2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.910 6.530 0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.086 4.545 3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.490 4.275 1.577 1.00 0.00 H new ATOM 0 HH TYR A 23 2.849 2.667 3.622 1.00 0.00 H new ATOM 260 N LEU A 24 2.406 9.309 -1.477 1.00 0.00 N ATOM 261 CA LEU A 24 1.750 9.430 -2.793 1.00 0.00 C ATOM 262 C LEU A 24 2.761 9.589 -3.948 1.00 0.00 C ATOM 263 O LEU A 24 2.755 8.760 -4.848 1.00 0.00 O ATOM 264 CB LEU A 24 0.649 10.507 -2.786 1.00 0.00 C ATOM 265 CG LEU A 24 1.093 11.976 -2.753 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.210 12.551 -4.169 1.00 0.00 C ATOM 267 CD2 LEU A 24 0.111 12.803 -1.923 1.00 0.00 C ATOM 0 H LEU A 24 2.153 10.044 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 24 1.245 8.484 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.032 10.362 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.011 10.329 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 24 2.078 12.023 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.526 13.593 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.945 11.978 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.242 12.491 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.435 13.844 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.883 12.740 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.080 12.416 -0.904 1.00 0.00 H new ATOM 269 N ASN A 25 3.794 10.404 -3.749 1.00 0.00 N ATOM 270 CA ASN A 25 4.857 10.598 -4.760 1.00 0.00 C ATOM 271 C ASN A 25 5.647 9.340 -5.171 1.00 0.00 C ATOM 272 O ASN A 25 6.254 9.323 -6.240 1.00 0.00 O ATOM 273 CB ASN A 25 5.799 11.731 -4.338 1.00 0.00 C ATOM 274 CG ASN A 25 5.194 13.099 -4.669 1.00 0.00 C ATOM 275 OD1 ASN A 25 4.812 13.409 -5.787 1.00 0.00 O ATOM 276 ND2 ASN A 25 5.079 13.957 -3.684 1.00 0.00 N ATOM 0 H ASN A 25 3.927 10.948 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 25 4.320 10.871 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.996 11.666 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.757 11.620 -4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.672 14.877 -3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.396 13.704 -2.748 1.00 0.00 H new ATOM 280 N ILE A 26 5.704 8.343 -4.288 1.00 0.00 N ATOM 281 CA ILE A 26 6.368 7.060 -4.598 1.00 0.00 C ATOM 282 C ILE A 26 5.404 5.845 -4.724 1.00 0.00 C ATOM 283 O ILE A 26 5.777 4.846 -5.329 1.00 0.00 O ATOM 284 CB ILE A 26 7.629 6.907 -3.702 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.690 7.965 -4.042 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.343 5.557 -3.806 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.637 9.229 -3.181 1.00 0.00 C ATOM 0 H ILE A 26 5.302 8.391 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 26 6.742 7.076 -5.622 1.00 0.00 H new ATOM 0 HB ILE A 26 7.227 7.017 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.677 7.514 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.576 8.250 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.208 5.551 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.658 4.760 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.671 5.397 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.423 9.916 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.666 9.710 -3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.784 8.963 -2.134 1.00 0.00 H new ATOM 289 N ILE A 27 4.158 5.925 -4.241 1.00 0.00 N ATOM 290 CA ILE A 27 3.150 4.854 -4.472 1.00 0.00 C ATOM 291 C ILE A 27 2.018 5.183 -5.478 1.00 0.00 C ATOM 292 O ILE A 27 1.519 4.282 -6.149 1.00 0.00 O ATOM 293 CB ILE A 27 2.571 4.265 -3.160 1.00 0.00 C ATOM 294 CG1 ILE A 27 1.797 2.965 -3.467 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.749 5.289 -2.357 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.103 2.237 -2.312 1.00 0.00 C ATOM 0 H ILE A 27 3.814 6.711 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 27 3.745 4.084 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 27 3.402 4.010 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.039 3.199 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.494 2.265 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.369 4.820 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.382 6.135 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.912 5.639 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.605 1.345 -2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.844 1.950 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.366 2.898 -1.856 1.00 0.00 H new ATOM 298 N GLU A 28 1.581 6.441 -5.526 1.00 0.00 N ATOM 299 CA GLU A 28 0.389 6.873 -6.287 1.00 0.00 C ATOM 300 C GLU A 28 0.610 6.794 -7.804 1.00 0.00 C ATOM 301 O GLU A 28 1.061 7.733 -8.455 1.00 0.00 O ATOM 302 CB GLU A 28 -0.087 8.239 -5.776 1.00 0.00 C ATOM 303 CG GLU A 28 -1.407 8.732 -6.379 1.00 0.00 C ATOM 304 CD GLU A 28 -1.216 9.594 -7.632 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.370 10.514 -7.576 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.055 9.430 -8.544 1.00 0.00 O ATOM 0 H GLU A 28 2.044 7.205 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.428 6.175 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.197 8.187 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.688 8.977 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.028 7.872 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.948 9.308 -5.629 1.00 0.00 H new ATOM 308 N GLY A 29 0.150 5.649 -8.302 1.00 0.00 N ATOM 309 CA GLY A 29 0.378 5.186 -9.680 1.00 0.00 C ATOM 310 C GLY A 29 0.886 3.741 -9.629 1.00 0.00 C ATOM 311 O GLY A 29 0.455 2.958 -8.780 1.00 0.00 O ATOM 0 H GLY A 29 -0.406 4.997 -7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.545 5.243 -10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.105 5.826 -10.179 1.00 0.00 H new ATOM 313 N GLU A 30 1.849 3.454 -10.497 1.00 0.00 N ATOM 314 CA GLU A 30 2.387 2.088 -10.646 1.00 0.00 C ATOM 315 C GLU A 30 3.907 1.974 -10.484 1.00 0.00 C ATOM 316 O GLU A 30 4.683 2.727 -11.069 1.00 0.00 O ATOM 317 CB GLU A 30 1.926 1.392 -11.940 1.00 0.00 C ATOM 318 CG GLU A 30 2.411 1.986 -13.272 1.00 0.00 C ATOM 319 CD GLU A 30 1.851 3.377 -13.594 1.00 0.00 C ATOM 320 OE1 GLU A 30 0.651 3.608 -13.324 1.00 0.00 O ATOM 321 OE2 GLU A 30 2.651 4.194 -14.096 1.00 0.00 O ATOM 0 H GLU A 30 2.280 4.143 -11.113 1.00 0.00 H new ATOM 0 HA GLU A 30 1.950 1.556 -9.801 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.249 0.352 -11.897 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.836 1.387 -11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.499 2.042 -13.254 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.140 1.304 -14.078 1.00 0.00 H new ATOM 323 N TRP A 31 4.263 1.042 -9.614 1.00 0.00 N ATOM 324 CA TRP A 31 5.634 0.511 -9.472 1.00 0.00 C ATOM 325 C TRP A 31 5.951 -0.336 -10.717 1.00 0.00 C ATOM 326 O TRP A 31 5.039 -0.886 -11.333 1.00 0.00 O ATOM 327 CB TRP A 31 5.706 -0.372 -8.220 1.00 0.00 C ATOM 328 CG TRP A 31 5.285 0.382 -6.954 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.035 0.620 -6.566 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.110 1.031 -6.052 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.030 1.376 -5.472 1.00 0.00 N ATOM 332 CE2 TRP A 31 5.282 1.640 -5.123 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.485 1.109 -5.917 1.00 0.00 C ATOM 334 CZ2 TRP A 31 5.827 2.320 -4.044 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.029 1.787 -4.832 1.00 0.00 C ATOM 336 CH2 TRP A 31 7.203 2.386 -3.893 1.00 0.00 C ATOM 0 H TRP A 31 3.600 0.616 -8.966 1.00 0.00 H new ATOM 0 HA TRP A 31 6.352 1.326 -9.378 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.063 -1.242 -8.354 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.723 -0.744 -8.098 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.152 0.252 -7.067 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.197 1.701 -4.980 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.131 0.647 -6.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.180 2.797 -3.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.101 1.848 -4.720 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.631 2.902 -3.046 1.00 0.00 H new ATOM 344 N HIS A 32 7.237 -0.448 -11.056 1.00 0.00 N ATOM 345 CA HIS A 32 7.734 -1.220 -12.229 1.00 0.00 C ATOM 346 C HIS A 32 7.234 -0.659 -13.592 1.00 0.00 C ATOM 347 O HIS A 32 6.422 0.267 -13.594 1.00 0.00 O ATOM 348 CB HIS A 32 7.371 -2.710 -12.067 1.00 0.00 C ATOM 349 CG HIS A 32 7.944 -3.348 -10.796 1.00 0.00 C ATOM 350 ND1 HIS A 32 9.181 -3.212 -10.323 1.00 0.00 N ATOM 351 CD2 HIS A 32 7.242 -4.038 -9.901 1.00 0.00 C ATOM 352 CE1 HIS A 32 9.241 -3.811 -9.138 1.00 0.00 C ATOM 353 NE2 HIS A 32 8.040 -4.319 -8.874 1.00 0.00 N ATOM 0 H HIS A 32 7.985 -0.003 -10.524 1.00 0.00 H new ATOM 0 HA HIS A 32 8.819 -1.113 -12.249 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.286 -2.812 -12.057 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.734 -3.260 -12.935 1.00 0.00 H new ATOM 0 HD1 HIS A 32 9.950 -2.731 -10.790 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.204 -4.321 -9.992 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.111 -3.874 -8.502 1.00 0.00 H new ATOM 356 N PRO A 33 7.842 -1.031 -14.736 1.00 0.00 N ATOM 357 CA PRO A 33 7.387 -0.574 -16.069 1.00 0.00 C ATOM 358 C PRO A 33 6.005 -1.100 -16.487 1.00 0.00 C ATOM 359 O PRO A 33 5.657 -2.251 -16.230 1.00 0.00 O ATOM 360 CB PRO A 33 8.483 -1.019 -17.043 1.00 0.00 C ATOM 361 CG PRO A 33 9.111 -2.226 -16.347 1.00 0.00 C ATOM 362 CD PRO A 33 9.084 -1.822 -14.872 1.00 0.00 C ATOM 0 HA PRO A 33 7.246 0.507 -16.060 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.071 -1.286 -18.016 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.214 -0.229 -17.213 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.541 -3.138 -16.527 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.127 -2.411 -16.697 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.074 -2.695 -14.220 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.962 -1.234 -14.604 1.00 0.00 H new ATOM 363 N GLN A 34 5.335 -0.303 -17.318 1.00 0.00 N ATOM 364 CA GLN A 34 3.978 -0.603 -17.826 1.00 0.00 C ATOM 365 C GLN A 34 4.016 -1.133 -19.281 1.00 0.00 C ATOM 366 O GLN A 34 3.219 -0.768 -20.145 1.00 0.00 O ATOM 367 CB GLN A 34 3.144 0.681 -17.707 1.00 0.00 C ATOM 368 CG GLN A 34 1.641 0.390 -17.760 1.00 0.00 C ATOM 369 CD GLN A 34 0.804 1.583 -18.231 1.00 0.00 C ATOM 370 OE1 GLN A 34 1.021 2.735 -17.885 1.00 0.00 O ATOM 371 NE2 GLN A 34 -0.207 1.308 -19.028 1.00 0.00 N ATOM 0 H GLN A 34 5.713 0.578 -17.666 1.00 0.00 H new ATOM 0 HA GLN A 34 3.523 -1.398 -17.235 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.384 1.185 -16.771 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.411 1.364 -18.514 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.466 -0.453 -18.428 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.302 0.087 -16.769 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.384 0.345 -19.314 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.814 2.058 -19.360 1.00 0.00 H new ATOM 375 N ASP A 35 4.956 -2.042 -19.534 1.00 0.00 N ATOM 376 CA ASP A 35 5.194 -2.592 -20.888 1.00 0.00 C ATOM 377 C ASP A 35 5.201 -4.131 -20.984 1.00 0.00 C ATOM 378 O ASP A 35 5.944 -4.724 -21.765 1.00 0.00 O ATOM 379 CB ASP A 35 6.433 -1.932 -21.522 1.00 0.00 C ATOM 380 CG ASP A 35 7.674 -1.906 -20.621 1.00 0.00 C ATOM 381 OD1 ASP A 35 7.917 -2.919 -19.928 1.00 0.00 O ATOM 382 OD2 ASP A 35 8.284 -0.819 -20.548 1.00 0.00 O ATOM 0 H ASP A 35 5.576 -2.423 -18.819 1.00 0.00 H new ATOM 0 HA ASP A 35 4.320 -2.325 -21.482 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.679 -2.461 -22.442 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.181 -0.909 -21.801 1.00 0.00 H new ATOM 384 N LEU A 36 4.277 -4.735 -20.238 1.00 0.00 N ATOM 385 CA LEU A 36 4.084 -6.202 -20.161 1.00 0.00 C ATOM 386 C LEU A 36 2.797 -6.493 -19.369 1.00 0.00 C ATOM 387 O LEU A 36 2.792 -6.451 -18.139 1.00 0.00 O ATOM 388 CB LEU A 36 5.297 -6.867 -19.477 1.00 0.00 C ATOM 389 CG LEU A 36 5.641 -8.308 -19.901 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.525 -9.319 -19.617 1.00 0.00 C ATOM 391 CD2 LEU A 36 6.090 -8.360 -21.365 1.00 0.00 C ATOM 0 H LEU A 36 3.622 -4.216 -19.653 1.00 0.00 H new ATOM 0 HA LEU A 36 3.995 -6.613 -21.167 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.172 -6.243 -19.659 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.122 -6.864 -18.401 1.00 0.00 H new ATOM 0 HG LEU A 36 6.477 -8.615 -19.272 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.841 -10.310 -19.943 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.315 -9.338 -18.548 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.625 -9.029 -20.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.326 -9.389 -21.637 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.288 -7.991 -22.005 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.975 -7.738 -21.496 1.00 0.00 H new ATOM 393 N ASN A 37 1.698 -6.527 -20.125 1.00 0.00 N ATOM 394 CA ASN A 37 0.296 -6.762 -19.690 1.00 0.00 C ATOM 395 C ASN A 37 -0.332 -5.693 -18.769 1.00 0.00 C ATOM 396 O ASN A 37 -1.509 -5.373 -18.904 1.00 0.00 O ATOM 397 CB ASN A 37 0.124 -8.169 -19.096 1.00 0.00 C ATOM 398 CG ASN A 37 -1.193 -8.823 -19.530 1.00 0.00 C ATOM 399 OD1 ASN A 37 -1.958 -9.352 -18.739 1.00 0.00 O ATOM 400 ND2 ASN A 37 -1.475 -8.836 -20.817 1.00 0.00 N ATOM 0 H ASN A 37 1.755 -6.382 -21.133 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.273 -6.675 -20.615 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.959 -8.797 -19.406 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.157 -8.109 -18.008 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.328 -9.286 -21.148 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.840 -8.396 -21.483 1.00 0.00 H new ATOM 404 N ASP A 38 0.528 -5.060 -17.972 1.00 0.00 N ATOM 405 CA ASP A 38 0.309 -3.894 -17.085 1.00 0.00 C ATOM 406 C ASP A 38 -0.307 -4.289 -15.734 1.00 0.00 C ATOM 407 O ASP A 38 -1.204 -3.642 -15.196 1.00 0.00 O ATOM 408 CB ASP A 38 -0.473 -2.760 -17.775 1.00 0.00 C ATOM 409 CG ASP A 38 0.104 -2.326 -19.131 1.00 0.00 C ATOM 410 OD1 ASP A 38 1.265 -2.691 -19.439 1.00 0.00 O ATOM 411 OD2 ASP A 38 -0.593 -1.530 -19.798 1.00 0.00 O ATOM 0 H ASP A 38 1.497 -5.375 -17.919 1.00 0.00 H new ATOM 0 HA ASP A 38 1.299 -3.493 -16.867 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.505 -3.082 -17.919 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.498 -1.896 -17.111 1.00 0.00 H new ATOM 413 N SER A 39 0.379 -5.244 -15.112 1.00 0.00 N ATOM 414 CA SER A 39 -0.072 -5.841 -13.841 1.00 0.00 C ATOM 415 C SER A 39 0.948 -5.763 -12.673 1.00 0.00 C ATOM 416 O SER A 39 1.206 -6.778 -12.021 1.00 0.00 O ATOM 417 CB SER A 39 -0.478 -7.287 -14.155 1.00 0.00 C ATOM 418 OG SER A 39 -1.406 -7.343 -15.240 1.00 0.00 O ATOM 0 H SER A 39 1.256 -5.629 -15.464 1.00 0.00 H new ATOM 0 HA SER A 39 -0.910 -5.256 -13.464 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.409 -7.870 -14.402 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.922 -7.742 -13.270 1.00 0.00 H new ATOM 0 HG SER A 39 -1.645 -8.277 -15.418 1.00 0.00 H new ATOM 421 N PRO A 40 1.533 -4.596 -12.351 1.00 0.00 N ATOM 422 CA PRO A 40 2.466 -4.486 -11.216 1.00 0.00 C ATOM 423 C PRO A 40 1.658 -4.088 -9.962 1.00 0.00 C ATOM 424 O PRO A 40 0.659 -4.740 -9.653 1.00 0.00 O ATOM 425 CB PRO A 40 3.500 -3.447 -11.676 1.00 0.00 C ATOM 426 CG PRO A 40 3.058 -2.987 -13.067 1.00 0.00 C ATOM 427 CD PRO A 40 1.572 -3.331 -13.107 1.00 0.00 C ATOM 0 HA PRO A 40 2.983 -5.405 -10.941 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.541 -2.606 -10.983 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.499 -3.881 -11.709 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.226 -1.919 -13.208 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.610 -3.502 -13.853 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.961 -2.558 -12.641 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.208 -3.453 -14.127 1.00 0.00 H new ATOM 428 N LEU A 41 2.056 -3.006 -9.296 1.00 0.00 N ATOM 429 CA LEU A 41 1.347 -2.456 -8.129 1.00 0.00 C ATOM 430 C LEU A 41 0.860 -1.047 -8.492 1.00 0.00 C ATOM 431 O LEU A 41 1.667 -0.174 -8.802 1.00 0.00 O ATOM 432 CB LEU A 41 2.307 -2.445 -6.931 1.00 0.00 C ATOM 433 CG LEU A 41 1.628 -2.277 -5.564 1.00 0.00 C ATOM 434 CD1 LEU A 41 2.595 -2.742 -4.479 1.00 0.00 C ATOM 435 CD2 LEU A 41 1.216 -0.835 -5.254 1.00 0.00 C ATOM 0 H LEU A 41 2.889 -2.476 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 41 0.482 -3.061 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.873 -3.377 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.025 -1.636 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 41 0.716 -2.873 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.127 -2.629 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.847 -3.790 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.503 -2.140 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.743 -0.795 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.099 -0.196 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.512 -0.487 -6.010 1.00 0.00 H new ATOM 437 N LYS A 42 -0.458 -0.924 -8.577 1.00 0.00 N ATOM 438 CA LYS A 42 -1.150 0.337 -8.908 1.00 0.00 C ATOM 439 C LYS A 42 -2.051 0.761 -7.742 1.00 0.00 C ATOM 440 O LYS A 42 -2.829 -0.027 -7.201 1.00 0.00 O ATOM 441 CB LYS A 42 -2.020 0.208 -10.167 1.00 0.00 C ATOM 442 CG LYS A 42 -1.267 -0.352 -11.384 1.00 0.00 C ATOM 443 CD LYS A 42 -2.004 -0.215 -12.725 1.00 0.00 C ATOM 444 CE LYS A 42 -3.386 -0.878 -12.767 1.00 0.00 C ATOM 445 NZ LYS A 42 -4.454 0.124 -12.641 1.00 0.00 N ATOM 0 H LYS A 42 -1.096 -1.704 -8.417 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.377 1.083 -9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.869 -0.440 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.424 1.188 -10.420 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.305 0.155 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.057 -1.407 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.117 0.844 -12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.384 -0.648 -13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.503 -1.424 -13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.469 -1.606 -11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.380 -0.349 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.353 0.627 -11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.386 0.804 -13.425 1.00 0.00 H new ATOM 450 N PHE A 43 -1.808 1.982 -7.289 1.00 0.00 N ATOM 451 CA PHE A 43 -2.595 2.607 -6.212 1.00 0.00 C ATOM 452 C PHE A 43 -3.194 3.972 -6.593 1.00 0.00 C ATOM 453 O PHE A 43 -2.496 4.876 -7.051 1.00 0.00 O ATOM 454 CB PHE A 43 -1.736 2.613 -4.940 1.00 0.00 C ATOM 455 CG PHE A 43 -2.052 3.718 -3.930 1.00 0.00 C ATOM 456 CD1 PHE A 43 -1.369 4.911 -4.074 1.00 0.00 C ATOM 457 CD2 PHE A 43 -2.883 3.522 -2.838 1.00 0.00 C ATOM 458 CE1 PHE A 43 -1.498 5.926 -3.140 1.00 0.00 C ATOM 459 CE2 PHE A 43 -2.982 4.521 -1.878 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.309 5.729 -2.032 1.00 0.00 C ATOM 0 H PHE A 43 -1.062 2.575 -7.651 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.490 2.014 -6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.849 1.649 -4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.689 2.701 -5.231 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.724 5.054 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.445 2.606 -2.735 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.973 6.860 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.590 4.358 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.417 6.509 -1.293 1.00 0.00 H new ATOM 467 N ILE A 44 -4.459 4.099 -6.210 1.00 0.00 N ATOM 468 CA ILE A 44 -5.315 5.280 -6.441 1.00 0.00 C ATOM 469 C ILE A 44 -5.729 5.948 -5.106 1.00 0.00 C ATOM 470 O ILE A 44 -5.540 5.401 -4.014 1.00 0.00 O ATOM 471 CB ILE A 44 -6.494 4.847 -7.352 1.00 0.00 C ATOM 472 CG1 ILE A 44 -7.216 6.018 -8.034 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.517 3.952 -6.640 1.00 0.00 C ATOM 474 CD1 ILE A 44 -6.353 6.723 -9.086 1.00 0.00 C ATOM 0 H ILE A 44 -4.946 3.357 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.772 6.067 -6.965 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.010 4.258 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.127 5.650 -8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.519 6.741 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.314 3.687 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.025 3.045 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.940 4.488 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.919 7.541 -9.532 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.454 7.119 -8.613 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.071 6.011 -9.862 1.00 0.00 H new ATOM 476 N LEU A 45 -6.417 7.076 -5.242 1.00 0.00 N ATOM 477 CA LEU A 45 -6.824 7.949 -4.125 1.00 0.00 C ATOM 478 C LEU A 45 -8.355 7.944 -3.963 1.00 0.00 C ATOM 479 O LEU A 45 -9.085 7.589 -4.890 1.00 0.00 O ATOM 480 CB LEU A 45 -6.352 9.387 -4.395 1.00 0.00 C ATOM 481 CG LEU A 45 -4.855 9.538 -4.714 1.00 0.00 C ATOM 482 CD1 LEU A 45 -4.585 10.965 -5.196 1.00 0.00 C ATOM 483 CD2 LEU A 45 -3.956 9.239 -3.511 1.00 0.00 C ATOM 0 H LEU A 45 -6.719 7.426 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.369 7.572 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.927 9.790 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.584 9.998 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.616 8.809 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.525 11.078 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.172 11.163 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.866 11.672 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.912 9.362 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.193 9.927 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.122 8.214 -3.178 1.00 0.00 H new ATOM 485 N SER A 46 -8.797 8.193 -2.733 1.00 0.00 N ATOM 486 CA SER A 46 -10.229 8.353 -2.392 1.00 0.00 C ATOM 487 C SER A 46 -10.850 9.556 -3.120 1.00 0.00 C ATOM 488 O SER A 46 -10.156 10.423 -3.650 1.00 0.00 O ATOM 489 CB SER A 46 -10.406 8.518 -0.880 1.00 0.00 C ATOM 490 OG SER A 46 -11.765 8.395 -0.443 1.00 0.00 O ATOM 0 H SER A 46 -8.175 8.292 -1.930 1.00 0.00 H new ATOM 0 HA SER A 46 -10.745 7.450 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.800 7.770 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.025 9.495 -0.583 1.00 0.00 H new ATOM 0 HG SER A 46 -11.796 8.404 0.536 1.00 0.00 H new ATOM 493 N THR A 47 -12.160 9.659 -2.943 1.00 0.00 N ATOM 494 CA THR A 47 -13.051 10.545 -3.719 1.00 0.00 C ATOM 495 C THR A 47 -14.382 10.721 -2.962 1.00 0.00 C ATOM 496 O THR A 47 -14.433 11.445 -1.971 1.00 0.00 O ATOM 497 CB THR A 47 -13.166 10.058 -5.191 1.00 0.00 C ATOM 498 OG1 THR A 47 -14.203 10.761 -5.880 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.344 8.542 -5.378 1.00 0.00 C ATOM 0 H THR A 47 -12.658 9.117 -2.237 1.00 0.00 H new ATOM 0 HA THR A 47 -12.632 11.547 -3.807 1.00 0.00 H new ATOM 0 HB THR A 47 -12.193 10.287 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.257 10.440 -6.805 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.413 8.312 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.489 8.020 -4.949 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.256 8.218 -4.877 1.00 0.00 H new ATOM 502 N SER A 48 -15.401 9.975 -3.371 1.00 0.00 N ATOM 503 CA SER A 48 -16.727 9.938 -2.720 1.00 0.00 C ATOM 504 C SER A 48 -17.128 8.550 -2.195 1.00 0.00 C ATOM 505 O SER A 48 -17.603 8.424 -1.070 1.00 0.00 O ATOM 506 CB SER A 48 -17.773 10.435 -3.725 1.00 0.00 C ATOM 507 OG SER A 48 -17.639 9.711 -4.958 1.00 0.00 O ATOM 0 H SER A 48 -15.338 9.361 -4.183 1.00 0.00 H new ATOM 0 HA SER A 48 -16.674 10.582 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 48 -18.775 10.299 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.643 11.503 -3.903 1.00 0.00 H new ATOM 0 HG SER A 48 -18.309 10.029 -5.598 1.00 0.00 H new ATOM 510 N ASP A 49 -16.825 7.522 -2.988 1.00 0.00 N ATOM 511 CA ASP A 49 -17.110 6.088 -2.731 1.00 0.00 C ATOM 512 C ASP A 49 -16.496 5.430 -1.468 1.00 0.00 C ATOM 513 O ASP A 49 -16.459 4.206 -1.375 1.00 0.00 O ATOM 514 CB ASP A 49 -16.677 5.302 -3.985 1.00 0.00 C ATOM 515 CG ASP A 49 -15.158 5.129 -4.175 1.00 0.00 C ATOM 516 OD1 ASP A 49 -14.390 5.868 -3.513 1.00 0.00 O ATOM 517 OD2 ASP A 49 -14.784 4.311 -5.041 1.00 0.00 O ATOM 0 H ASP A 49 -16.348 7.662 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.179 6.049 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.135 4.313 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.079 5.806 -4.864 1.00 0.00 H new ATOM 519 N ASP A 50 -15.998 6.235 -0.528 1.00 0.00 N ATOM 520 CA ASP A 50 -15.218 5.797 0.658 1.00 0.00 C ATOM 521 C ASP A 50 -14.039 4.827 0.410 1.00 0.00 C ATOM 522 O ASP A 50 -13.465 4.281 1.352 1.00 0.00 O ATOM 523 CB ASP A 50 -16.147 5.241 1.747 1.00 0.00 C ATOM 524 CG ASP A 50 -16.902 6.355 2.472 1.00 0.00 C ATOM 525 OD1 ASP A 50 -16.318 6.896 3.437 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.030 6.663 2.031 1.00 0.00 O ATOM 0 H ASP A 50 -16.124 7.247 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.732 6.715 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -16.861 4.551 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.561 4.670 2.468 1.00 0.00 H new ATOM 528 N SER A 51 -13.533 4.807 -0.825 1.00 0.00 N ATOM 529 CA SER A 51 -12.433 3.930 -1.290 1.00 0.00 C ATOM 530 C SER A 51 -12.681 2.436 -0.963 1.00 0.00 C ATOM 531 O SER A 51 -13.780 1.931 -1.166 1.00 0.00 O ATOM 532 CB SER A 51 -11.083 4.465 -0.774 1.00 0.00 C ATOM 533 OG SER A 51 -10.868 4.125 0.603 1.00 0.00 O ATOM 0 H SER A 51 -13.884 5.419 -1.562 1.00 0.00 H new ATOM 0 HA SER A 51 -12.399 3.962 -2.379 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.274 4.057 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.053 5.548 -0.890 1.00 0.00 H new ATOM 0 HG SER A 51 -11.732 4.048 1.060 1.00 0.00 H new ATOM 536 N ASP A 52 -11.609 1.703 -0.660 1.00 0.00 N ATOM 537 CA ASP A 52 -11.649 0.305 -0.185 1.00 0.00 C ATOM 538 C ASP A 52 -10.860 0.057 1.120 1.00 0.00 C ATOM 539 O ASP A 52 -11.215 -0.826 1.903 1.00 0.00 O ATOM 540 CB ASP A 52 -11.171 -0.620 -1.309 1.00 0.00 C ATOM 541 CG ASP A 52 -12.141 -0.622 -2.497 1.00 0.00 C ATOM 542 OD1 ASP A 52 -11.911 0.203 -3.411 1.00 0.00 O ATOM 543 OD2 ASP A 52 -13.026 -1.502 -2.492 1.00 0.00 O ATOM 0 H ASP A 52 -10.660 2.068 -0.738 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.685 0.083 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.184 -0.302 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.065 -1.634 -0.925 1.00 0.00 H new ATOM 545 N TYR A 53 -9.852 0.891 1.376 1.00 0.00 N ATOM 546 CA TYR A 53 -8.943 0.755 2.532 1.00 0.00 C ATOM 547 C TYR A 53 -9.263 1.778 3.626 1.00 0.00 C ATOM 548 O TYR A 53 -9.342 2.973 3.350 1.00 0.00 O ATOM 549 CB TYR A 53 -7.498 1.002 2.085 1.00 0.00 C ATOM 550 CG TYR A 53 -6.741 -0.245 1.633 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.736 -1.379 2.434 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.922 -0.193 0.514 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.955 -2.474 2.103 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.116 -1.276 0.192 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.167 -2.432 0.965 1.00 0.00 C ATOM 556 OH TYR A 53 -4.553 -3.569 0.550 1.00 0.00 O ATOM 0 H TYR A 53 -9.635 1.692 0.784 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.073 -0.253 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.505 1.722 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.952 1.462 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.347 -1.408 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.912 0.691 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.961 -3.355 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.451 -1.222 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.102 -3.404 -0.304 1.00 0.00 H new ATOM 563 N ILE A 54 -9.224 1.311 4.867 1.00 0.00 N ATOM 564 CA ILE A 54 -9.444 2.159 6.058 1.00 0.00 C ATOM 565 C ILE A 54 -8.183 2.233 6.942 1.00 0.00 C ATOM 566 O ILE A 54 -7.734 1.232 7.503 1.00 0.00 O ATOM 567 CB ILE A 54 -10.738 1.771 6.814 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.925 2.640 8.073 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.836 0.264 7.101 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.317 2.561 8.714 1.00 0.00 C ATOM 0 H ILE A 54 -9.039 0.333 5.089 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.616 3.181 5.721 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.576 1.985 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.183 2.344 8.814 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.719 3.678 7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.764 0.054 7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.824 -0.287 6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.989 -0.046 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.350 3.206 9.592 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -13.068 2.888 7.995 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.523 1.533 9.011 1.00 0.00 H new ATOM 572 N CYS A 55 -7.588 3.428 6.930 1.00 0.00 N ATOM 573 CA CYS A 55 -6.347 3.740 7.669 1.00 0.00 C ATOM 574 C CYS A 55 -6.558 3.737 9.188 1.00 0.00 C ATOM 575 O CYS A 55 -7.165 4.647 9.746 1.00 0.00 O ATOM 576 CB CYS A 55 -5.693 5.051 7.204 1.00 0.00 C ATOM 577 SG CYS A 55 -4.124 5.394 8.093 1.00 0.00 S ATOM 0 H CYS A 55 -7.953 4.221 6.402 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.652 2.934 7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.498 4.998 6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.386 5.877 7.361 1.00 0.00 H new ATOM 579 N LYS A 56 -6.091 2.649 9.791 1.00 0.00 N ATOM 580 CA LYS A 56 -6.103 2.470 11.257 1.00 0.00 C ATOM 581 C LYS A 56 -5.165 3.479 11.942 1.00 0.00 C ATOM 582 O LYS A 56 -5.584 4.256 12.795 1.00 0.00 O ATOM 583 CB LYS A 56 -5.686 1.029 11.592 1.00 0.00 C ATOM 584 CG LYS A 56 -5.938 0.598 13.047 1.00 0.00 C ATOM 585 CD LYS A 56 -7.425 0.481 13.412 1.00 0.00 C ATOM 586 CE LYS A 56 -8.000 1.769 14.007 1.00 0.00 C ATOM 587 NZ LYS A 56 -9.461 1.694 14.155 1.00 0.00 N ATOM 0 H LYS A 56 -5.691 1.859 9.285 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.111 2.652 11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.222 0.349 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.624 0.915 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.455 -0.364 13.220 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.465 1.317 13.716 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.992 0.215 12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.555 -0.332 14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.545 1.956 14.980 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.742 2.613 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.815 2.584 14.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.897 1.541 13.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.706 0.904 14.786 1.00 0.00 H new ATOM 592 N TYR A 57 -3.907 3.441 11.506 1.00 0.00 N ATOM 593 CA TYR A 57 -2.804 4.290 11.990 1.00 0.00 C ATOM 594 C TYR A 57 -1.555 4.079 11.126 1.00 0.00 C ATOM 595 O TYR A 57 -1.469 3.136 10.339 1.00 0.00 O ATOM 596 CB TYR A 57 -2.441 3.960 13.447 1.00 0.00 C ATOM 597 CG TYR A 57 -2.857 5.057 14.434 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.488 6.382 14.226 1.00 0.00 C ATOM 599 CD2 TYR A 57 -3.531 4.710 15.599 1.00 0.00 C ATOM 600 CE1 TYR A 57 -2.780 7.349 15.178 1.00 0.00 C ATOM 601 CE2 TYR A 57 -3.820 5.674 16.559 1.00 0.00 C ATOM 602 CZ TYR A 57 -3.441 6.994 16.346 1.00 0.00 C ATOM 603 OH TYR A 57 -3.659 7.935 17.298 1.00 0.00 O ATOM 0 H TYR A 57 -3.609 2.794 10.776 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.141 5.325 11.928 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.920 3.023 13.731 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.365 3.803 13.520 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.972 6.660 13.319 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.832 3.685 15.760 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.493 8.377 15.010 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.337 5.398 17.466 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.134 7.531 18.054 1.00 0.00 H new ATOM 610 N ILE A 58 -0.727 5.110 11.093 1.00 0.00 N ATOM 611 CA ILE A 58 0.634 4.997 10.536 1.00 0.00 C ATOM 612 C ILE A 58 1.635 4.354 11.502 1.00 0.00 C ATOM 613 O ILE A 58 1.416 4.230 12.705 1.00 0.00 O ATOM 614 CB ILE A 58 1.186 6.343 10.037 1.00 0.00 C ATOM 615 CG1 ILE A 58 1.082 7.490 11.055 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.563 6.676 8.686 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.166 7.516 12.132 1.00 0.00 C ATOM 0 H ILE A 58 -0.962 6.039 11.442 1.00 0.00 H new ATOM 0 HA ILE A 58 0.522 4.331 9.680 1.00 0.00 H new ATOM 0 HB ILE A 58 2.262 6.228 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.109 8.436 10.514 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.110 7.431 11.544 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.953 7.630 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.810 5.893 7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.520 6.743 8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.999 8.364 12.796 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.129 6.591 12.708 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.144 7.612 11.661 1.00 0.00 H new ATOM 619 N ASN A 59 2.788 4.064 10.924 1.00 0.00 N ATOM 620 CA ASN A 59 3.996 3.678 11.657 1.00 0.00 C ATOM 621 C ASN A 59 5.089 4.728 11.407 1.00 0.00 C ATOM 622 O ASN A 59 5.798 4.707 10.398 1.00 0.00 O ATOM 623 CB ASN A 59 4.421 2.265 11.247 1.00 0.00 C ATOM 624 CG ASN A 59 5.648 1.839 12.050 1.00 0.00 C ATOM 625 OD1 ASN A 59 6.786 2.030 11.644 1.00 0.00 O ATOM 626 ND2 ASN A 59 5.412 1.424 13.277 1.00 0.00 N ATOM 0 H ASN A 59 2.920 4.089 9.913 1.00 0.00 H new ATOM 0 HA ASN A 59 3.807 3.650 12.730 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.603 1.566 11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.646 2.238 10.181 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.189 1.253 13.916 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.453 1.273 13.589 1.00 0.00 H new ATOM 630 N THR A 60 5.142 5.667 12.349 1.00 0.00 N ATOM 631 CA THR A 60 6.139 6.765 12.397 1.00 0.00 C ATOM 632 C THR A 60 7.552 6.300 12.820 1.00 0.00 C ATOM 633 O THR A 60 8.240 6.924 13.626 1.00 0.00 O ATOM 634 CB THR A 60 5.583 7.940 13.233 1.00 0.00 C ATOM 635 OG1 THR A 60 6.414 9.092 13.079 1.00 0.00 O ATOM 636 CG2 THR A 60 5.353 7.610 14.716 1.00 0.00 C ATOM 0 H THR A 60 4.481 5.697 13.126 1.00 0.00 H new ATOM 0 HA THR A 60 6.292 7.129 11.381 1.00 0.00 H new ATOM 0 HB THR A 60 4.590 8.152 12.836 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.335 8.866 13.324 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.962 8.489 15.228 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.636 6.793 14.800 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.297 7.313 15.173 1.00 0.00 H new ATOM 639 N GLU A 61 7.918 5.128 12.306 1.00 0.00 N ATOM 640 CA GLU A 61 9.234 4.501 12.520 1.00 0.00 C ATOM 641 C GLU A 61 9.874 4.157 11.164 1.00 0.00 C ATOM 642 O GLU A 61 10.933 4.682 10.833 1.00 0.00 O ATOM 643 CB GLU A 61 9.090 3.252 13.398 1.00 0.00 C ATOM 644 CG GLU A 61 10.420 2.862 14.056 1.00 0.00 C ATOM 645 CD GLU A 61 10.812 3.715 15.274 1.00 0.00 C ATOM 646 OE1 GLU A 61 10.259 4.824 15.447 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.668 3.215 16.034 1.00 0.00 O ATOM 0 H GLU A 61 7.300 4.571 11.716 1.00 0.00 H new ATOM 0 HA GLU A 61 9.887 5.202 13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.342 3.434 14.170 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.727 2.422 12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.364 1.818 14.364 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.212 2.932 13.311 1.00 0.00 H new ATOM 649 N HIS A 62 9.152 3.387 10.349 1.00 0.00 N ATOM 650 CA HIS A 62 9.580 3.096 8.967 1.00 0.00 C ATOM 651 C HIS A 62 8.716 3.863 7.942 1.00 0.00 C ATOM 652 O HIS A 62 8.248 3.309 6.954 1.00 0.00 O ATOM 653 CB HIS A 62 9.537 1.573 8.756 1.00 0.00 C ATOM 654 CG HIS A 62 10.705 1.011 7.931 1.00 0.00 C ATOM 655 ND1 HIS A 62 11.078 -0.267 7.917 1.00 0.00 N ATOM 656 CD2 HIS A 62 11.556 1.676 7.149 1.00 0.00 C ATOM 657 CE1 HIS A 62 12.135 -0.390 7.120 1.00 0.00 C ATOM 658 NE2 HIS A 62 12.432 0.814 6.641 1.00 0.00 N ATOM 0 H HIS A 62 8.269 2.951 10.615 1.00 0.00 H new ATOM 0 HA HIS A 62 10.602 3.441 8.809 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.528 1.084 9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.601 1.314 8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.537 2.739 6.959 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.660 -1.308 6.900 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.194 1.036 6.000 1.00 0.00 H new ATOM 661 N LYS A 63 8.412 5.117 8.296 1.00 0.00 N ATOM 662 CA LYS A 63 7.621 6.110 7.524 1.00 0.00 C ATOM 663 C LYS A 63 6.463 5.583 6.641 1.00 0.00 C ATOM 664 O LYS A 63 6.158 6.123 5.575 1.00 0.00 O ATOM 665 CB LYS A 63 8.586 6.996 6.724 1.00 0.00 C ATOM 666 CG LYS A 63 9.467 7.867 7.619 1.00 0.00 C ATOM 667 CD LYS A 63 10.380 8.761 6.778 1.00 0.00 C ATOM 668 CE LYS A 63 10.227 10.227 7.191 1.00 0.00 C ATOM 669 NZ LYS A 63 8.936 10.783 6.754 1.00 0.00 N ATOM 0 H LYS A 63 8.728 5.500 9.187 1.00 0.00 H new ATOM 0 HA LYS A 63 7.076 6.679 8.278 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.220 6.365 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.013 7.635 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.841 8.483 8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.070 7.234 8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.417 8.449 6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.136 8.648 5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.311 10.311 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.040 10.813 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.868 11.777 7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.866 10.726 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.161 10.239 7.184 1.00 0.00 H new ATOM 674 N GLN A 64 5.676 4.690 7.232 1.00 0.00 N ATOM 675 CA GLN A 64 4.645 3.909 6.514 1.00 0.00 C ATOM 676 C GLN A 64 3.245 3.957 7.146 1.00 0.00 C ATOM 677 O GLN A 64 3.111 4.398 8.284 1.00 0.00 O ATOM 678 CB GLN A 64 5.103 2.451 6.398 1.00 0.00 C ATOM 679 CG GLN A 64 5.422 1.731 7.710 1.00 0.00 C ATOM 680 CD GLN A 64 5.336 0.218 7.516 1.00 0.00 C ATOM 681 OE1 GLN A 64 6.158 -0.433 6.887 1.00 0.00 O ATOM 682 NE2 GLN A 64 4.242 -0.355 7.960 1.00 0.00 N ATOM 0 H GLN A 64 5.727 4.478 8.228 1.00 0.00 H new ATOM 0 HA GLN A 64 4.544 4.377 5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.326 1.889 5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.992 2.421 5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.421 2.005 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.723 2.046 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.558 0.190 8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.076 -1.345 7.781 1.00 0.00 H new ATOM 686 N LEU A 65 2.233 3.456 6.434 1.00 0.00 N ATOM 687 CA LEU A 65 0.905 3.218 7.039 1.00 0.00 C ATOM 688 C LEU A 65 0.536 1.737 7.226 1.00 0.00 C ATOM 689 O LEU A 65 1.187 0.837 6.692 1.00 0.00 O ATOM 690 CB LEU A 65 -0.242 3.978 6.345 1.00 0.00 C ATOM 691 CG LEU A 65 -0.465 3.795 4.838 1.00 0.00 C ATOM 692 CD1 LEU A 65 -0.850 2.374 4.419 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.561 4.758 4.400 1.00 0.00 C ATOM 0 H LEU A 65 2.298 3.207 5.447 1.00 0.00 H new ATOM 0 HA LEU A 65 1.022 3.637 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.169 3.702 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.086 5.042 6.526 1.00 0.00 H new ATOM 0 HG LEU A 65 0.489 3.999 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.987 2.338 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.058 1.683 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.779 2.088 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.738 4.646 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.479 4.536 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.252 5.782 4.612 1.00 0.00 H new ATOM 695 N THR A 66 -0.395 1.547 8.154 1.00 0.00 N ATOM 696 CA THR A 66 -1.098 0.270 8.395 1.00 0.00 C ATOM 697 C THR A 66 -2.625 0.458 8.324 1.00 0.00 C ATOM 698 O THR A 66 -3.212 1.294 9.017 1.00 0.00 O ATOM 699 CB THR A 66 -0.623 -0.483 9.661 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.619 -1.414 10.090 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.124 0.380 10.826 1.00 0.00 C ATOM 0 H THR A 66 -0.698 2.291 8.783 1.00 0.00 H new ATOM 0 HA THR A 66 -0.819 -0.399 7.581 1.00 0.00 H new ATOM 0 HB THR A 66 0.276 -1.010 9.340 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.207 -2.292 10.231 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.180 -0.264 11.652 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.728 0.976 10.498 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.924 1.042 11.157 1.00 0.00 H new ATOM 704 N LEU A 67 -3.183 -0.167 7.289 1.00 0.00 N ATOM 705 CA LEU A 67 -4.631 -0.138 6.997 1.00 0.00 C ATOM 706 C LEU A 67 -5.238 -1.445 6.474 1.00 0.00 C ATOM 707 O LEU A 67 -4.614 -2.172 5.708 1.00 0.00 O ATOM 708 CB LEU A 67 -5.029 1.034 6.086 1.00 0.00 C ATOM 709 CG LEU A 67 -4.165 1.431 4.887 1.00 0.00 C ATOM 710 CD1 LEU A 67 -4.037 0.341 3.827 1.00 0.00 C ATOM 711 CD2 LEU A 67 -4.794 2.670 4.253 1.00 0.00 C ATOM 0 H LEU A 67 -2.645 -0.715 6.618 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.067 0.009 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.026 0.816 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.118 1.916 6.721 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.156 1.615 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.410 0.699 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.584 -0.546 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.025 0.090 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.200 2.980 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.809 2.438 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.823 3.478 4.984 1.00 0.00 H new ATOM 713 N TYR A 68 -6.525 -1.610 6.758 1.00 0.00 N ATOM 714 CA TYR A 68 -7.284 -2.825 6.403 1.00 0.00 C ATOM 715 C TYR A 68 -8.376 -2.573 5.360 1.00 0.00 C ATOM 716 O TYR A 68 -8.962 -1.492 5.298 1.00 0.00 O ATOM 717 CB TYR A 68 -7.841 -3.530 7.653 1.00 0.00 C ATOM 718 CG TYR A 68 -8.581 -2.627 8.646 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.881 -1.658 9.353 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.949 -2.771 8.835 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.555 -0.791 10.196 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.618 -1.937 9.723 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.920 -0.939 10.392 1.00 0.00 C ATOM 724 OH TYR A 68 -10.565 -0.086 11.224 1.00 0.00 O ATOM 0 H TYR A 68 -7.083 -0.907 7.243 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.570 -3.500 5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.520 -4.319 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.015 -4.013 8.174 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.809 -1.581 9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.493 -3.530 8.293 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.019 -0.001 10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.677 -2.064 9.893 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.517 -0.318 11.256 1.00 0.00 H new ATOM 731 N ASN A 69 -8.422 -3.481 4.391 1.00 0.00 N ATOM 732 CA ASN A 69 -9.387 -3.411 3.277 1.00 0.00 C ATOM 733 C ASN A 69 -10.746 -4.011 3.660 1.00 0.00 C ATOM 734 O ASN A 69 -10.903 -5.223 3.834 1.00 0.00 O ATOM 735 CB ASN A 69 -8.810 -4.103 2.036 1.00 0.00 C ATOM 736 CG ASN A 69 -9.369 -3.631 0.688 1.00 0.00 C ATOM 737 OD1 ASN A 69 -8.634 -3.342 -0.242 1.00 0.00 O ATOM 738 ND2 ASN A 69 -10.628 -3.270 0.613 1.00 0.00 N ATOM 0 H ASN A 69 -7.798 -4.287 4.347 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.558 -2.360 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.730 -3.957 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.986 -5.175 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.965 -2.764 -0.206 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.269 -3.496 1.373 1.00 0.00 H new ATOM 742 N LYS A 70 -11.722 -3.112 3.668 1.00 0.00 N ATOM 743 CA LYS A 70 -13.137 -3.410 3.972 1.00 0.00 C ATOM 744 C LYS A 70 -13.921 -3.987 2.763 1.00 0.00 C ATOM 745 O LYS A 70 -15.147 -3.993 2.735 1.00 0.00 O ATOM 746 CB LYS A 70 -13.719 -2.100 4.528 1.00 0.00 C ATOM 747 CG LYS A 70 -15.108 -2.244 5.160 1.00 0.00 C ATOM 748 CD LYS A 70 -15.618 -0.907 5.704 1.00 0.00 C ATOM 749 CE LYS A 70 -17.146 -0.897 5.844 1.00 0.00 C ATOM 750 NZ LYS A 70 -17.659 -1.927 6.763 1.00 0.00 N ATOM 0 H LYS A 70 -11.559 -2.127 3.459 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.224 -4.212 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.033 -1.699 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.774 -1.369 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.809 -2.627 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.067 -2.975 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.162 -0.711 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.308 -0.101 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.464 0.084 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.594 -1.043 4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.696 -1.864 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.385 -2.869 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.259 -1.777 7.711 1.00 0.00 H new ATOM 755 N ASN A 71 -13.196 -4.606 1.829 1.00 0.00 N ATOM 756 CA ASN A 71 -13.796 -5.278 0.653 1.00 0.00 C ATOM 757 C ASN A 71 -13.715 -6.820 0.717 1.00 0.00 C ATOM 758 O ASN A 71 -14.241 -7.514 -0.152 1.00 0.00 O ATOM 759 CB ASN A 71 -13.123 -4.748 -0.619 1.00 0.00 C ATOM 760 CG ASN A 71 -14.029 -4.798 -1.853 1.00 0.00 C ATOM 761 OD1 ASN A 71 -15.219 -4.525 -1.817 1.00 0.00 O ATOM 762 ND2 ASN A 71 -13.446 -5.052 -3.002 1.00 0.00 N ATOM 0 H ASN A 71 -12.178 -4.661 1.858 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.860 -5.042 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.806 -3.719 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.223 -5.331 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.987 -5.021 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.452 -5.280 -3.030 1.00 0.00 H new ATOM 766 N ASN A 72 -12.932 -7.331 1.667 1.00 0.00 N ATOM 767 CA ASN A 72 -12.823 -8.783 1.932 1.00 0.00 C ATOM 768 C ASN A 72 -13.483 -9.230 3.247 1.00 0.00 C ATOM 769 O ASN A 72 -14.293 -10.152 3.250 1.00 0.00 O ATOM 770 CB ASN A 72 -11.356 -9.231 1.932 1.00 0.00 C ATOM 771 CG ASN A 72 -10.706 -9.193 0.547 1.00 0.00 C ATOM 772 OD1 ASN A 72 -9.710 -8.523 0.321 1.00 0.00 O ATOM 773 ND2 ASN A 72 -11.277 -9.901 -0.400 1.00 0.00 N ATOM 0 H ASN A 72 -12.352 -6.758 2.280 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.368 -9.262 1.119 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.789 -8.591 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.294 -10.245 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.889 -9.898 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.108 -10.454 -0.192 1.00 0.00 H new ATOM 777 N SER A 73 -13.054 -8.597 4.339 1.00 0.00 N ATOM 778 CA SER A 73 -13.434 -8.898 5.740 1.00 0.00 C ATOM 779 C SER A 73 -12.692 -7.946 6.690 1.00 0.00 C ATOM 780 O SER A 73 -13.305 -7.104 7.339 1.00 0.00 O ATOM 781 CB SER A 73 -13.201 -10.367 6.146 1.00 0.00 C ATOM 782 OG SER A 73 -11.897 -10.844 5.773 1.00 0.00 O ATOM 0 H SER A 73 -12.398 -7.818 4.279 1.00 0.00 H new ATOM 0 HA SER A 73 -14.510 -8.741 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.325 -10.466 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.960 -10.994 5.679 1.00 0.00 H new ATOM 0 HG SER A 73 -11.798 -11.778 6.053 1.00 0.00 H new ATOM 785 N SER A 74 -11.370 -8.104 6.724 1.00 0.00 N ATOM 786 CA SER A 74 -10.408 -7.170 7.353 1.00 0.00 C ATOM 787 C SER A 74 -8.973 -7.600 7.025 1.00 0.00 C ATOM 788 O SER A 74 -8.383 -8.432 7.711 1.00 0.00 O ATOM 789 CB SER A 74 -10.590 -7.077 8.877 1.00 0.00 C ATOM 790 OG SER A 74 -9.602 -6.209 9.441 1.00 0.00 O ATOM 0 H SER A 74 -10.912 -8.912 6.302 1.00 0.00 H new ATOM 0 HA SER A 74 -10.603 -6.179 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.587 -6.704 9.109 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.509 -8.069 9.321 1.00 0.00 H new ATOM 0 HG SER A 74 -9.807 -5.281 9.202 1.00 0.00 H new ATOM 793 N ILE A 75 -8.484 -7.097 5.894 1.00 0.00 N ATOM 794 CA ILE A 75 -7.110 -7.389 5.438 1.00 0.00 C ATOM 795 C ILE A 75 -6.187 -6.167 5.586 1.00 0.00 C ATOM 796 O ILE A 75 -6.217 -5.217 4.804 1.00 0.00 O ATOM 797 CB ILE A 75 -7.057 -8.118 4.074 1.00 0.00 C ATOM 798 CG1 ILE A 75 -5.606 -8.416 3.658 1.00 0.00 C ATOM 799 CG2 ILE A 75 -7.832 -7.382 2.973 1.00 0.00 C ATOM 800 CD1 ILE A 75 -5.469 -9.626 2.728 1.00 0.00 C ATOM 0 H ILE A 75 -9.011 -6.485 5.271 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.688 -8.131 6.116 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.566 -9.072 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.192 -7.538 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.008 -8.587 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.758 -7.941 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.879 -7.294 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.410 -6.387 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.419 -9.775 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.852 -10.515 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.039 -9.450 1.815 1.00 0.00 H new ATOM 802 N VAL A 76 -5.504 -6.208 6.723 1.00 0.00 N ATOM 803 CA VAL A 76 -4.586 -5.169 7.228 1.00 0.00 C ATOM 804 C VAL A 76 -3.245 -5.302 6.490 1.00 0.00 C ATOM 805 O VAL A 76 -2.605 -6.351 6.522 1.00 0.00 O ATOM 806 CB VAL A 76 -4.324 -5.282 8.747 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.787 -3.953 9.286 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.531 -5.728 9.584 1.00 0.00 C ATOM 0 H VAL A 76 -5.572 -7.004 7.358 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.056 -4.202 7.049 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.585 -6.076 8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.605 -4.042 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.855 -3.705 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.519 -3.165 9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.247 -5.777 10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.344 -5.012 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.861 -6.712 9.251 1.00 0.00 H new ATOM 810 N ILE A 77 -2.930 -4.276 5.718 1.00 0.00 N ATOM 811 CA ILE A 77 -1.631 -4.175 5.033 1.00 0.00 C ATOM 812 C ILE A 77 -0.813 -3.009 5.607 1.00 0.00 C ATOM 813 O ILE A 77 -1.323 -1.926 5.900 1.00 0.00 O ATOM 814 CB ILE A 77 -1.745 -4.081 3.497 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.458 -2.811 3.033 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.423 -5.332 2.919 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.720 -2.149 1.867 1.00 0.00 C ATOM 0 H ILE A 77 -3.555 -3.489 5.542 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.104 -5.109 5.227 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.727 -4.027 3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.476 -3.054 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.532 -2.109 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.491 -5.241 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.835 -6.214 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.424 -5.430 3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.254 -1.249 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.710 -1.883 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.669 -2.843 1.028 1.00 0.00 H new ATOM 819 N GLU A 78 0.453 -3.325 5.842 1.00 0.00 N ATOM 820 CA GLU A 78 1.451 -2.367 6.358 1.00 0.00 C ATOM 821 C GLU A 78 2.624 -2.254 5.381 1.00 0.00 C ATOM 822 O GLU A 78 3.353 -3.220 5.151 1.00 0.00 O ATOM 823 CB GLU A 78 1.944 -2.640 7.791 1.00 0.00 C ATOM 824 CG GLU A 78 1.645 -3.999 8.436 1.00 0.00 C ATOM 825 CD GLU A 78 0.239 -4.073 9.044 1.00 0.00 C ATOM 826 OE1 GLU A 78 0.118 -3.666 10.221 1.00 0.00 O ATOM 827 OE2 GLU A 78 -0.669 -4.554 8.335 1.00 0.00 O ATOM 0 H GLU A 78 0.831 -4.259 5.682 1.00 0.00 H new ATOM 0 HA GLU A 78 0.930 -1.412 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.025 -2.504 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.521 -1.870 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.753 -4.783 7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.383 -4.197 9.214 1.00 0.00 H new ATOM 829 N ILE A 79 2.609 -1.138 4.663 1.00 0.00 N ATOM 830 CA ILE A 79 3.515 -0.921 3.514 1.00 0.00 C ATOM 831 C ILE A 79 4.369 0.346 3.644 1.00 0.00 C ATOM 832 O ILE A 79 3.840 1.419 3.931 1.00 0.00 O ATOM 833 CB ILE A 79 2.742 -0.923 2.178 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.627 0.134 2.120 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.162 -2.318 1.932 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.081 0.387 0.711 1.00 0.00 C ATOM 0 H ILE A 79 1.979 -0.357 4.848 1.00 0.00 H new ATOM 0 HA ILE A 79 4.206 -1.764 3.519 1.00 0.00 H new ATOM 0 HB ILE A 79 3.452 -0.661 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.807 -0.182 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.008 1.072 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.615 -2.324 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.972 -3.046 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.485 -2.579 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.299 1.145 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.887 0.735 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.668 -0.538 0.309 1.00 0.00 H new ATOM 838 N PHE A 80 5.646 0.246 3.299 1.00 0.00 N ATOM 839 CA PHE A 80 6.521 1.433 3.292 1.00 0.00 C ATOM 840 C PHE A 80 6.843 1.883 1.869 1.00 0.00 C ATOM 841 O PHE A 80 7.189 1.088 0.996 1.00 0.00 O ATOM 842 CB PHE A 80 7.808 1.269 4.114 1.00 0.00 C ATOM 843 CG PHE A 80 8.704 2.522 4.164 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.187 3.817 4.122 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.078 2.352 4.277 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.034 4.915 4.146 1.00 0.00 C ATOM 847 CE2 PHE A 80 10.921 3.453 4.364 1.00 0.00 C ATOM 848 CZ PHE A 80 10.400 4.738 4.299 1.00 0.00 C ATOM 0 H PHE A 80 6.102 -0.624 3.023 1.00 0.00 H new ATOM 0 HA PHE A 80 5.945 2.214 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.539 0.990 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.385 0.443 3.699 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.119 3.966 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.494 1.356 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.628 5.911 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.985 3.309 4.483 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.055 5.594 4.367 1.00 0.00 H new ATOM 855 N ILE A 81 6.663 3.189 1.730 1.00 0.00 N ATOM 856 CA ILE A 81 6.876 3.956 0.492 1.00 0.00 C ATOM 857 C ILE A 81 7.968 5.010 0.795 1.00 0.00 C ATOM 858 O ILE A 81 7.651 6.037 1.404 1.00 0.00 O ATOM 859 CB ILE A 81 5.546 4.628 0.092 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.305 3.716 0.143 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.675 5.296 -1.273 1.00 0.00 C ATOM 862 CD1 ILE A 81 4.397 2.364 -0.570 1.00 0.00 C ATOM 0 H ILE A 81 6.352 3.776 2.504 1.00 0.00 H new ATOM 0 HA ILE A 81 7.196 3.323 -0.335 1.00 0.00 H new ATOM 0 HB ILE A 81 5.366 5.380 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.066 3.530 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.465 4.265 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.728 5.765 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.457 6.054 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.932 4.547 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.456 1.827 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.595 2.524 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.206 1.777 -0.134 1.00 0.00 H new ATOM 864 N PRO A 82 9.247 4.646 0.612 1.00 0.00 N ATOM 865 CA PRO A 82 10.367 5.594 0.760 1.00 0.00 C ATOM 866 C PRO A 82 10.592 6.411 -0.526 1.00 0.00 C ATOM 867 O PRO A 82 9.924 7.423 -0.725 1.00 0.00 O ATOM 868 CB PRO A 82 11.551 4.716 1.193 1.00 0.00 C ATOM 869 CG PRO A 82 11.271 3.363 0.539 1.00 0.00 C ATOM 870 CD PRO A 82 9.747 3.256 0.549 1.00 0.00 C ATOM 0 HA PRO A 82 10.188 6.371 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.500 5.133 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.608 4.630 2.278 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.667 3.320 -0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.732 2.547 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.384 2.750 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.401 2.677 1.405 1.00 0.00 H new ATOM 871 N ASN A 83 11.513 5.928 -1.362 1.00 0.00 N ATOM 872 CA ASN A 83 11.957 6.439 -2.677 1.00 0.00 C ATOM 873 C ASN A 83 13.146 5.549 -3.104 1.00 0.00 C ATOM 874 O ASN A 83 13.174 4.381 -2.714 1.00 0.00 O ATOM 875 CB ASN A 83 12.328 7.933 -2.601 1.00 0.00 C ATOM 876 CG ASN A 83 12.390 8.589 -3.988 1.00 0.00 C ATOM 877 OD1 ASN A 83 12.200 7.971 -5.026 1.00 0.00 O ATOM 878 ND2 ASN A 83 12.864 9.808 -4.048 1.00 0.00 N ATOM 0 H ASN A 83 12.025 5.080 -1.116 1.00 0.00 H new ATOM 0 HA ASN A 83 11.161 6.385 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.595 8.456 -1.986 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.294 8.041 -2.107 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.070 10.231 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.027 10.335 -3.190 1.00 0.00 H new ATOM 882 N ASP A 84 14.027 6.043 -3.981 1.00 0.00 N ATOM 883 CA ASP A 84 15.286 5.392 -4.421 1.00 0.00 C ATOM 884 C ASP A 84 15.099 3.900 -4.764 1.00 0.00 C ATOM 885 O ASP A 84 15.808 3.034 -4.259 1.00 0.00 O ATOM 886 CB ASP A 84 16.392 5.610 -3.370 1.00 0.00 C ATOM 887 CG ASP A 84 17.763 5.092 -3.828 1.00 0.00 C ATOM 888 OD1 ASP A 84 18.128 5.400 -4.985 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.457 4.488 -2.983 1.00 0.00 O ATOM 0 H ASP A 84 13.884 6.948 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 84 15.596 5.868 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.468 6.674 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.110 5.108 -2.444 1.00 0.00 H new ATOM 891 N ASN A 85 14.077 3.647 -5.578 1.00 0.00 N ATOM 892 CA ASN A 85 13.573 2.298 -5.897 1.00 0.00 C ATOM 893 C ASN A 85 13.474 1.342 -4.694 1.00 0.00 C ATOM 894 O ASN A 85 14.319 0.477 -4.487 1.00 0.00 O ATOM 895 CB ASN A 85 14.292 1.680 -7.110 1.00 0.00 C ATOM 896 CG ASN A 85 15.802 1.467 -6.983 1.00 0.00 C ATOM 897 OD1 ASN A 85 16.289 0.372 -6.746 1.00 0.00 O ATOM 898 ND2 ASN A 85 16.570 2.461 -7.370 1.00 0.00 N ATOM 0 H ASN A 85 13.558 4.388 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 85 12.534 2.448 -6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.830 0.716 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 85 14.111 2.319 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.575 2.319 -7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.161 3.374 -7.567 1.00 0.00 H new ATOM 902 N LYS A 86 12.484 1.611 -3.840 1.00 0.00 N ATOM 903 CA LYS A 86 12.122 0.675 -2.756 1.00 0.00 C ATOM 904 C LYS A 86 10.671 0.819 -2.260 1.00 0.00 C ATOM 905 O LYS A 86 10.077 1.893 -2.342 1.00 0.00 O ATOM 906 CB LYS A 86 13.117 0.819 -1.589 1.00 0.00 C ATOM 907 CG LYS A 86 13.137 -0.402 -0.660 1.00 0.00 C ATOM 908 CD LYS A 86 13.484 -1.672 -1.442 1.00 0.00 C ATOM 909 CE LYS A 86 13.188 -2.940 -0.646 1.00 0.00 C ATOM 910 NZ LYS A 86 13.071 -4.065 -1.582 1.00 0.00 N ATOM 0 H LYS A 86 11.919 2.460 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 86 12.184 -0.328 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.118 0.979 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.861 1.705 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.866 -0.248 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.164 -0.518 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.917 -1.689 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.540 -1.653 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.984 -3.129 0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.265 -2.823 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.614 -4.875 -1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.071 -4.334 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.445 -3.784 -2.511 1.00 0.00 H new ATOM 915 N ILE A 87 10.105 -0.348 -1.958 1.00 0.00 N ATOM 916 CA ILE A 87 8.785 -0.572 -1.323 1.00 0.00 C ATOM 917 C ILE A 87 8.759 -1.959 -0.652 1.00 0.00 C ATOM 918 O ILE A 87 9.279 -2.945 -1.175 1.00 0.00 O ATOM 919 CB ILE A 87 7.597 -0.424 -2.313 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.241 -0.728 -1.638 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.822 -1.213 -3.609 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.968 -0.659 -2.492 1.00 0.00 C ATOM 0 H ILE A 87 10.579 -1.228 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 87 8.655 0.207 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 87 7.553 0.624 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.300 -1.729 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.121 -0.033 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.966 -1.079 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.723 -0.850 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.938 -2.271 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.102 -0.898 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.857 0.346 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.039 -1.376 -3.310 1.00 0.00 H new ATOM 924 N LEU A 88 8.075 -1.993 0.486 1.00 0.00 N ATOM 925 CA LEU A 88 7.754 -3.230 1.224 1.00 0.00 C ATOM 926 C LEU A 88 6.253 -3.345 1.538 1.00 0.00 C ATOM 927 O LEU A 88 5.642 -2.383 1.999 1.00 0.00 O ATOM 928 CB LEU A 88 8.607 -3.387 2.497 1.00 0.00 C ATOM 929 CG LEU A 88 8.860 -2.104 3.301 1.00 0.00 C ATOM 930 CD1 LEU A 88 8.971 -2.434 4.791 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.165 -1.440 2.851 1.00 0.00 C ATOM 0 H LEU A 88 7.717 -1.151 0.938 1.00 0.00 H new ATOM 0 HA LEU A 88 8.010 -4.057 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.119 -4.111 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.571 -3.811 2.215 1.00 0.00 H new ATOM 0 HG LEU A 88 8.025 -1.425 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.151 -1.518 5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.043 -2.894 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.798 -3.126 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.330 -0.532 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.996 -2.127 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.099 -1.188 1.793 1.00 0.00 H new ATOM 933 N LEU A 89 5.693 -4.499 1.182 1.00 0.00 N ATOM 934 CA LEU A 89 4.279 -4.888 1.405 1.00 0.00 C ATOM 935 C LEU A 89 4.141 -5.974 2.481 1.00 0.00 C ATOM 936 O LEU A 89 4.705 -7.048 2.321 1.00 0.00 O ATOM 937 CB LEU A 89 3.690 -5.398 0.073 1.00 0.00 C ATOM 938 CG LEU A 89 2.389 -6.226 0.138 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.142 -5.384 0.416 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.207 -7.037 -1.144 1.00 0.00 C ATOM 0 H LEU A 89 6.225 -5.229 0.709 1.00 0.00 H new ATOM 0 HA LEU A 89 3.735 -4.012 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.507 -4.534 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.450 -6.004 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 89 2.500 -6.901 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.266 -6.031 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.253 -4.875 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.018 -4.645 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.285 -7.615 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.154 -6.361 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.052 -7.714 -1.269 1.00 0.00 H new ATOM 942 N THR A 90 3.204 -5.759 3.402 1.00 0.00 N ATOM 943 CA THR A 90 2.795 -6.763 4.416 1.00 0.00 C ATOM 944 C THR A 90 1.296 -7.048 4.241 1.00 0.00 C ATOM 945 O THR A 90 0.534 -6.102 4.059 1.00 0.00 O ATOM 946 CB THR A 90 3.014 -6.235 5.849 1.00 0.00 C ATOM 947 OG1 THR A 90 4.353 -5.763 6.003 1.00 0.00 O ATOM 948 CG2 THR A 90 2.722 -7.276 6.939 1.00 0.00 C ATOM 0 H THR A 90 2.695 -4.878 3.477 1.00 0.00 H new ATOM 0 HA THR A 90 3.397 -7.661 4.274 1.00 0.00 H new ATOM 0 HB THR A 90 2.300 -5.422 5.980 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.397 -4.817 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.897 -6.835 7.920 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.683 -7.597 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.378 -8.136 6.806 1.00 0.00 H new ATOM 951 N ILE A 91 0.904 -8.305 4.442 1.00 0.00 N ATOM 952 CA ILE A 91 -0.523 -8.698 4.494 1.00 0.00 C ATOM 953 C ILE A 91 -0.840 -9.313 5.868 1.00 0.00 C ATOM 954 O ILE A 91 0.022 -9.928 6.497 1.00 0.00 O ATOM 955 CB ILE A 91 -0.980 -9.622 3.334 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.422 -11.051 3.366 1.00 0.00 C ATOM 957 CG2 ILE A 91 -0.722 -8.981 1.968 1.00 0.00 C ATOM 958 CD1 ILE A 91 -1.359 -12.036 4.076 1.00 0.00 C ATOM 0 H ILE A 91 1.552 -9.082 4.574 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.102 -7.785 4.356 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.053 -9.730 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.249 -11.392 2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.545 -11.048 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.055 -9.657 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.272 -8.042 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.344 -8.787 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.914 -13.031 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.512 -11.714 5.106 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.318 -12.064 3.558 1.00 0.00 H new ATOM 960 N MET A 92 -2.088 -9.132 6.286 1.00 0.00 N ATOM 961 CA MET A 92 -2.638 -9.617 7.569 1.00 0.00 C ATOM 962 C MET A 92 -4.173 -9.551 7.491 1.00 0.00 C ATOM 963 O MET A 92 -4.723 -8.857 6.641 1.00 0.00 O ATOM 964 CB MET A 92 -2.121 -8.691 8.681 1.00 0.00 C ATOM 965 CG MET A 92 -2.341 -9.229 10.098 1.00 0.00 C ATOM 966 SD MET A 92 -1.597 -8.158 11.382 1.00 0.00 S ATOM 967 CE MET A 92 0.139 -8.465 11.114 1.00 0.00 C ATOM 0 H MET A 92 -2.777 -8.627 5.729 1.00 0.00 H new ATOM 0 HA MET A 92 -2.333 -10.643 7.775 1.00 0.00 H new ATOM 0 HB2 MET A 92 -1.055 -8.521 8.530 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.614 -7.723 8.591 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.411 -9.324 10.284 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.915 -10.229 10.173 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.710 -8.089 11.963 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.307 -9.537 11.010 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.462 -7.957 10.205 1.00 0.00 H new ATOM 969 N ASN A 93 -4.850 -10.355 8.302 1.00 0.00 N ATOM 970 CA ASN A 93 -6.326 -10.379 8.372 1.00 0.00 C ATOM 971 C ASN A 93 -6.751 -10.646 9.823 1.00 0.00 C ATOM 972 O ASN A 93 -6.029 -11.330 10.550 1.00 0.00 O ATOM 973 CB ASN A 93 -6.873 -11.453 7.418 1.00 0.00 C ATOM 974 CG ASN A 93 -8.400 -11.481 7.281 1.00 0.00 C ATOM 975 OD1 ASN A 93 -9.134 -11.873 8.178 1.00 0.00 O ATOM 976 ND2 ASN A 93 -8.900 -11.063 6.139 1.00 0.00 N ATOM 0 H ASN A 93 -4.400 -11.015 8.936 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.737 -9.418 8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.438 -11.297 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.536 -12.430 7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.910 -11.063 5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.278 -10.738 5.398 1.00 0.00 H new ATOM 980 N THR A 94 -7.909 -10.106 10.201 1.00 0.00 N ATOM 981 CA THR A 94 -8.512 -10.310 11.544 1.00 0.00 C ATOM 982 C THR A 94 -8.574 -11.792 11.981 1.00 0.00 C ATOM 983 O THR A 94 -8.184 -12.128 13.097 1.00 0.00 O ATOM 984 CB THR A 94 -9.888 -9.619 11.656 1.00 0.00 C ATOM 985 OG1 THR A 94 -10.270 -9.568 13.031 1.00 0.00 O ATOM 986 CG2 THR A 94 -11.002 -10.251 10.806 1.00 0.00 C ATOM 0 H THR A 94 -8.468 -9.510 9.591 1.00 0.00 H new ATOM 0 HA THR A 94 -7.835 -9.829 12.250 1.00 0.00 H new ATOM 0 HB THR A 94 -9.765 -8.617 11.245 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.142 -9.129 13.112 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.929 -9.697 10.951 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.720 -10.217 9.754 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.147 -11.288 11.110 1.00 0.00 H new ATOM 989 N GLU A 95 -8.820 -12.671 11.007 1.00 0.00 N ATOM 990 CA GLU A 95 -8.841 -14.133 11.210 1.00 0.00 C ATOM 991 C GLU A 95 -7.686 -14.867 10.490 1.00 0.00 C ATOM 992 O GLU A 95 -7.875 -15.908 9.861 1.00 0.00 O ATOM 993 CB GLU A 95 -10.208 -14.676 10.775 1.00 0.00 C ATOM 994 CG GLU A 95 -10.947 -15.335 11.945 1.00 0.00 C ATOM 995 CD GLU A 95 -11.982 -14.435 12.632 1.00 0.00 C ATOM 996 OE1 GLU A 95 -11.789 -13.197 12.661 1.00 0.00 O ATOM 997 OE2 GLU A 95 -12.996 -15.014 13.080 1.00 0.00 O ATOM 0 H GLU A 95 -9.013 -12.392 10.045 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.685 -14.327 12.271 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.813 -13.863 10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.074 -15.401 9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.448 -16.232 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.215 -15.656 12.686 1.00 0.00 H new ATOM 999 N ALA A 96 -6.499 -14.260 10.527 1.00 0.00 N ATOM 1000 CA ALA A 96 -5.275 -14.857 9.945 1.00 0.00 C ATOM 1001 C ALA A 96 -4.168 -15.076 11.002 1.00 0.00 C ATOM 1002 O ALA A 96 -4.464 -15.633 12.054 1.00 0.00 O ATOM 1003 CB ALA A 96 -4.847 -14.055 8.707 1.00 0.00 C ATOM 0 H ALA A 96 -6.349 -13.347 10.956 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.492 -15.867 9.596 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.946 -14.497 8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.646 -14.075 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.644 -13.023 8.994 1.00 0.00 H new ATOM 1005 N LEU A 97 -2.949 -14.569 10.754 1.00 0.00 N ATOM 1006 CA LEU A 97 -1.726 -14.764 11.568 1.00 0.00 C ATOM 1007 C LEU A 97 -1.242 -16.226 11.512 1.00 0.00 C ATOM 1008 O LEU A 97 -1.915 -17.148 11.969 1.00 0.00 O ATOM 1009 CB LEU A 97 -1.925 -14.225 12.999 1.00 0.00 C ATOM 1010 CG LEU A 97 -0.676 -14.221 13.887 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -0.768 -13.051 14.868 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -0.566 -15.517 14.697 1.00 0.00 C ATOM 0 H LEU A 97 -2.775 -13.981 9.939 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.918 -14.174 11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.305 -13.206 12.934 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.695 -14.822 13.489 1.00 0.00 H new ATOM 0 HG LEU A 97 0.199 -14.130 13.244 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.117 -13.040 15.505 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.828 -12.115 14.313 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.659 -13.164 15.486 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.330 -15.484 15.317 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.444 -15.624 15.334 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.506 -16.367 14.017 1.00 0.00 H new ATOM 1014 N GLY A 98 -0.087 -16.390 10.856 1.00 0.00 N ATOM 1015 CA GLY A 98 0.493 -17.728 10.593 1.00 0.00 C ATOM 1016 C GLY A 98 1.649 -17.745 9.581 1.00 0.00 C ATOM 1017 O GLY A 98 2.500 -18.632 9.612 1.00 0.00 O ATOM 0 H GLY A 98 0.471 -15.617 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.848 -18.145 11.535 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.297 -18.386 10.231 1.00 0.00 H new ATOM 1019 N THR A 99 1.565 -16.870 8.584 1.00 0.00 N ATOM 1020 CA THR A 99 2.628 -16.709 7.569 1.00 0.00 C ATOM 1021 C THR A 99 3.054 -15.237 7.507 1.00 0.00 C ATOM 1022 O THR A 99 2.216 -14.340 7.606 1.00 0.00 O ATOM 1023 CB THR A 99 2.120 -17.175 6.191 1.00 0.00 C ATOM 1024 OG1 THR A 99 1.490 -18.451 6.330 1.00 0.00 O ATOM 1025 CG2 THR A 99 3.242 -17.291 5.150 1.00 0.00 C ATOM 0 H THR A 99 0.767 -16.250 8.447 1.00 0.00 H new ATOM 0 HA THR A 99 3.487 -17.320 7.846 1.00 0.00 H new ATOM 0 HB THR A 99 1.418 -16.421 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.163 -18.751 5.456 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.824 -17.623 4.200 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.717 -16.319 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.983 -18.013 5.493 1.00 0.00 H new ATOM 1028 N SER A 100 4.355 -15.039 7.313 1.00 0.00 N ATOM 1029 CA SER A 100 4.949 -13.704 7.086 1.00 0.00 C ATOM 1030 C SER A 100 5.494 -13.672 5.644 1.00 0.00 C ATOM 1031 O SER A 100 6.635 -14.079 5.419 1.00 0.00 O ATOM 1032 CB SER A 100 6.101 -13.448 8.072 1.00 0.00 C ATOM 1033 OG SER A 100 5.733 -13.794 9.411 1.00 0.00 O ATOM 0 H SER A 100 5.038 -15.796 7.307 1.00 0.00 H new ATOM 0 HA SER A 100 4.194 -12.933 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.974 -14.028 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.388 -12.397 8.033 1.00 0.00 H new ATOM 0 HG SER A 100 6.487 -13.621 10.013 1.00 0.00 H new ATOM 1036 N PRO A 101 4.638 -13.385 4.648 1.00 0.00 N ATOM 1037 CA PRO A 101 5.053 -13.357 3.237 1.00 0.00 C ATOM 1038 C PRO A 101 5.929 -12.130 2.940 1.00 0.00 C ATOM 1039 O PRO A 101 7.148 -12.231 3.020 1.00 0.00 O ATOM 1040 CB PRO A 101 3.748 -13.452 2.436 1.00 0.00 C ATOM 1041 CG PRO A 101 2.713 -12.798 3.350 1.00 0.00 C ATOM 1042 CD PRO A 101 3.185 -13.138 4.766 1.00 0.00 C ATOM 0 HA PRO A 101 5.703 -14.186 2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.825 -12.931 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.489 -14.487 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.670 -11.720 3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.713 -13.188 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.981 -12.319 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.667 -14.016 5.152 1.00 0.00 H new ATOM 1043 N ARG A 102 5.284 -10.966 2.852 1.00 0.00 N ATOM 1044 CA ARG A 102 5.895 -9.670 2.500 1.00 0.00 C ATOM 1045 C ARG A 102 6.563 -9.636 1.120 1.00 0.00 C ATOM 1046 O ARG A 102 7.212 -10.579 0.679 1.00 0.00 O ATOM 1047 CB ARG A 102 6.861 -9.132 3.565 1.00 0.00 C ATOM 1048 CG ARG A 102 6.149 -8.460 4.744 1.00 0.00 C ATOM 1049 CD ARG A 102 5.583 -9.443 5.774 1.00 0.00 C ATOM 1050 NE ARG A 102 6.098 -9.051 7.100 1.00 0.00 N ATOM 1051 CZ ARG A 102 7.334 -9.265 7.559 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.238 -9.940 6.859 1.00 0.00 N ATOM 1053 NH2 ARG A 102 7.757 -8.620 8.636 1.00 0.00 N ATOM 0 H ARG A 102 4.282 -10.890 3.030 1.00 0.00 H new ATOM 0 HA ARG A 102 5.035 -9.002 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.473 -9.953 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 102 7.539 -8.415 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.849 -7.790 5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 102 5.336 -7.844 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.493 -9.420 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.883 -10.463 5.534 1.00 0.00 H new ATOM 0 HE ARG A 102 5.449 -8.572 7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.997 -10.313 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.173 -10.085 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.139 -7.962 9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.700 -8.781 8.989 1.00 0.00 H new ATOM 1060 N MET A 103 6.303 -8.536 0.428 1.00 0.00 N ATOM 1061 CA MET A 103 6.846 -8.319 -0.922 1.00 0.00 C ATOM 1062 C MET A 103 7.694 -7.043 -0.970 1.00 0.00 C ATOM 1063 O MET A 103 7.248 -5.964 -0.579 1.00 0.00 O ATOM 1064 CB MET A 103 5.707 -8.294 -1.940 1.00 0.00 C ATOM 1065 CG MET A 103 6.142 -8.956 -3.248 1.00 0.00 C ATOM 1066 SD MET A 103 4.795 -9.142 -4.475 1.00 0.00 S ATOM 1067 CE MET A 103 3.715 -10.299 -3.656 1.00 0.00 C ATOM 0 H MET A 103 5.719 -7.774 0.773 1.00 0.00 H new ATOM 0 HA MET A 103 7.508 -9.146 -1.181 1.00 0.00 H new ATOM 0 HB2 MET A 103 4.838 -8.812 -1.535 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.404 -7.264 -2.130 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.945 -8.367 -3.692 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.555 -9.940 -3.025 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.005 -10.706 -4.376 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.306 -11.110 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.172 -9.789 -2.860 1.00 0.00 H new ATOM 1069 N THR A 104 8.976 -7.286 -1.207 1.00 0.00 N ATOM 1070 CA THR A 104 10.019 -6.247 -1.285 1.00 0.00 C ATOM 1071 C THR A 104 10.401 -5.950 -2.739 1.00 0.00 C ATOM 1072 O THR A 104 11.267 -6.570 -3.353 1.00 0.00 O ATOM 1073 CB THR A 104 11.247 -6.643 -0.454 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.568 -8.023 -0.667 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.024 -6.339 1.031 1.00 0.00 C ATOM 0 H THR A 104 9.338 -8.228 -1.355 1.00 0.00 H new ATOM 0 HA THR A 104 9.611 -5.329 -0.862 1.00 0.00 H new ATOM 0 HB THR A 104 12.097 -6.046 -0.783 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.354 -8.262 -0.133 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.908 -6.629 1.598 1.00 0.00 H new ATOM 0 HG22 THR A 104 10.843 -5.272 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.162 -6.900 1.392 1.00 0.00 H new ATOM 1078 N PHE A 105 9.752 -4.899 -3.214 1.00 0.00 N ATOM 1079 CA PHE A 105 9.811 -4.429 -4.613 1.00 0.00 C ATOM 1080 C PHE A 105 10.462 -3.035 -4.679 1.00 0.00 C ATOM 1081 O PHE A 105 10.815 -2.459 -3.650 1.00 0.00 O ATOM 1082 CB PHE A 105 8.430 -4.427 -5.303 1.00 0.00 C ATOM 1083 CG PHE A 105 7.170 -4.848 -4.527 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.850 -4.318 -3.280 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.216 -5.598 -5.201 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.588 -4.492 -2.735 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.955 -5.790 -4.651 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.637 -5.231 -3.421 1.00 0.00 C ATOM 0 H PHE A 105 9.147 -4.323 -2.628 1.00 0.00 H new ATOM 0 HA PHE A 105 10.428 -5.138 -5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.257 -3.417 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.504 -5.078 -6.174 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.596 -3.764 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.456 -6.035 -6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.346 -4.053 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.220 -6.376 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.652 -5.371 -3.000 1.00 0.00 H new ATOM 1095 N ILE A 106 10.646 -2.518 -5.893 1.00 0.00 N ATOM 1096 CA ILE A 106 11.424 -1.277 -6.123 1.00 0.00 C ATOM 1097 C ILE A 106 10.748 -0.280 -7.087 1.00 0.00 C ATOM 1098 O ILE A 106 10.187 -0.677 -8.112 1.00 0.00 O ATOM 1099 CB ILE A 106 12.863 -1.617 -6.575 1.00 0.00 C ATOM 1100 CG1 ILE A 106 12.904 -2.422 -7.886 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.630 -2.329 -5.445 1.00 0.00 C ATOM 1102 CD1 ILE A 106 14.302 -2.483 -8.513 1.00 0.00 C ATOM 0 H ILE A 106 10.269 -2.934 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 106 11.465 -0.760 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 106 13.364 -0.673 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.555 -3.436 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.211 -1.977 -8.600 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.641 -2.561 -5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.678 -1.678 -4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.115 -3.253 -5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.263 -3.065 -9.434 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.645 -1.473 -8.736 1.00 0.00 H new ATOM 0 HD13 ILE A 106 14.993 -2.955 -7.815 1.00 0.00 H new ATOM 1104 N LYS A 107 10.805 1.011 -6.742 1.00 0.00 N ATOM 1105 CA LYS A 107 10.313 2.115 -7.607 1.00 0.00 C ATOM 1106 C LYS A 107 11.259 2.382 -8.791 1.00 0.00 C ATOM 1107 O LYS A 107 12.137 3.241 -8.750 1.00 0.00 O ATOM 1108 CB LYS A 107 10.045 3.406 -6.811 1.00 0.00 C ATOM 1109 CG LYS A 107 9.189 4.437 -7.571 1.00 0.00 C ATOM 1110 CD LYS A 107 7.806 3.886 -7.952 1.00 0.00 C ATOM 1111 CE LYS A 107 6.935 4.873 -8.737 1.00 0.00 C ATOM 1112 NZ LYS A 107 6.362 5.927 -7.888 1.00 0.00 N ATOM 0 H LYS A 107 11.193 1.332 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 107 9.358 1.782 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.544 3.149 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.998 3.863 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.065 5.327 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.715 4.746 -8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.938 2.982 -8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.279 3.596 -7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.533 5.332 -9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.128 4.328 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.531 6.338 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.077 5.520 -6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.073 6.670 -7.729 1.00 0.00 H new ATOM 1117 N HIS A 108 11.115 1.467 -9.748 1.00 0.00 N ATOM 1118 CA HIS A 108 11.773 1.424 -11.077 1.00 0.00 C ATOM 1119 C HIS A 108 13.155 0.757 -10.990 1.00 0.00 C ATOM 1120 O HIS A 108 14.022 1.150 -10.216 1.00 0.00 O ATOM 1121 CB HIS A 108 11.936 2.795 -11.756 1.00 0.00 C ATOM 1122 CG HIS A 108 10.686 3.684 -11.768 1.00 0.00 C ATOM 1123 ND1 HIS A 108 9.407 3.309 -11.804 1.00 0.00 N ATOM 1124 CD2 HIS A 108 10.716 5.014 -11.793 1.00 0.00 C ATOM 1125 CE1 HIS A 108 8.655 4.402 -11.873 1.00 0.00 C ATOM 1126 NE2 HIS A 108 9.465 5.455 -11.867 1.00 0.00 N ATOM 0 H HIS A 108 10.491 0.671 -9.617 1.00 0.00 H new ATOM 0 HA HIS A 108 11.094 0.836 -11.695 1.00 0.00 H new ATOM 0 HB2 HIS A 108 12.739 3.335 -11.254 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.255 2.634 -12.786 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.603 5.629 -11.759 1.00 0.00 H new ATOM 0 HE1 HIS A 108 7.577 4.430 -11.925 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.177 6.432 -11.911 1.00 0.00 H new ATOM 1129 N LYS A 109 13.327 -0.265 -11.822 1.00 0.00 N ATOM 1130 CA LYS A 109 14.564 -1.076 -11.881 1.00 0.00 C ATOM 1131 C LYS A 109 15.814 -0.315 -12.371 1.00 0.00 C ATOM 1132 O LYS A 109 16.913 -0.648 -11.878 1.00 99.99 O ATOM 1133 CG LYS A 109 14.554 -3.590 -11.982 1.00 0.00 C ATOM 1134 CD LYS A 109 13.895 -4.831 -12.593 1.00 0.00 C ATOM 1135 CE LYS A 109 12.370 -4.831 -12.423 1.00 0.00 C ATOM 1136 NZ LYS A 109 11.805 -6.115 -12.858 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.640 0.542 -13.267 1.00 99.99 O ATOM 0 H LYS A 109 12.613 -0.566 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.139 -4.883 -13.654 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.309 -5.725 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.114 -4.649 -11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.933 -4.019 -13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.772 -6.099 -12.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.033 -6.273 -13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.209 -6.884 -12.286 1.00 0.00 H new