USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 874 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 113 THR OG1 : rot 160:sc= 0.0947 USER MOD Set 1.2: A 114 ASN : amide:sc= -1.6 K(o=-1.5,f=-2.8!) USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc= -0.0669 USER MOD Set 2.2: A 98 MET CE :methyl 175:sc= -4.07! (180deg=-4.39!) USER MOD Set 3.1: A 52 TYR OH : rot 30:sc= -0.0364 USER MOD Set 3.2: A 93 MET CE :methyl -172:sc= -0.386 (180deg=-0.758) USER MOD Set 4.1: A 2 ASN : amide:sc= 0.601 K(o=-2.8,f=-7.1!) USER MOD Set 4.2: A 7 ASN : amide:sc= -3.45! C(o=-2.8!,f=-8.7!) USER MOD Single : A 3 THR OG1 : rot -98:sc= 1.34 USER MOD Single : A 8 GLN :FLIP amide:sc= -3.91! C(o=-9.2!,f=-3.9!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 0.00657 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.228 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 34 MET CE :methyl 166:sc= -5.82! (180deg=-6.85!) USER MOD Single : A 36 SER OG : rot 26:sc= -0.738! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 6:sc= -1.43 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 70:sc= -1.64! USER MOD Single : A 49 GLN :FLIP amide:sc= -0.212 F(o=-1.2!,f=-0.21) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.0535 (180deg=-1.03) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-2.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 98:sc= 1.28 USER MOD Single : A 63 SER OG : rot -101:sc= 1.81 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.137) USER MOD Single : A 84 LYS NZ :NH3+ -119:sc= 0.89 (180deg=-2.07!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.271 F(o=-2!,f=-0.27) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0174 F(o=-2.9!,f=-0.017) USER MOD Single : A 89 GLN : amide:sc= -4.08! C(o=-4.1!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= -0.5 K(o=-0.5,f=-6.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-2.9!) USER MOD Single : A 105 THR OG1 : rot 32:sc= 1.34 USER MOD Single : A 109 TYR OH : rot 70:sc= -0.874 USER MOD Single : A 111 SER OG : rot 76:sc= 0.78 USER MOD ----------------------------------------------------------------- ATOM 18 N ASN A 2 -1.218 5.266 7.907 1.00 0.00 N ATOM 19 CA ASN A 2 -1.648 6.152 6.837 1.00 0.00 C ATOM 20 C ASN A 2 -1.547 7.589 7.311 1.00 0.00 C ATOM 21 O ASN A 2 -0.515 8.198 7.109 1.00 0.00 O ATOM 22 CB ASN A 2 -3.050 5.811 6.345 1.00 0.00 C ATOM 23 CG ASN A 2 -3.103 4.467 5.656 1.00 0.00 C ATOM 24 OD1 ASN A 2 -3.348 3.447 6.286 1.00 0.00 O ATOM 25 ND2 ASN A 2 -2.866 4.450 4.366 1.00 0.00 N ATOM 0 HA ASN A 2 -0.989 6.017 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.739 5.812 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.389 6.584 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.883 3.567 3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.665 5.320 3.873 1.00 0.00 H new ATOM 32 N THR A 3 -2.615 8.096 7.961 1.00 0.00 N ATOM 33 CA THR A 3 -2.674 9.386 8.674 1.00 0.00 C ATOM 34 C THR A 3 -3.643 10.446 8.099 1.00 0.00 C ATOM 35 O THR A 3 -4.091 10.399 6.926 1.00 0.00 O ATOM 36 CB THR A 3 -1.294 10.002 9.084 1.00 0.00 C ATOM 37 OG1 THR A 3 -1.391 10.614 10.387 1.00 0.00 O ATOM 38 CG2 THR A 3 -0.859 11.050 8.071 1.00 0.00 C ATOM 0 H THR A 3 -3.501 7.592 8.004 1.00 0.00 H new ATOM 0 HA THR A 3 -3.138 9.065 9.607 1.00 0.00 H new ATOM 0 HB THR A 3 -0.556 9.200 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.533 11.578 10.286 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.102 11.469 8.370 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.763 10.588 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.603 11.845 8.028 1.00 0.00 H new ATOM 46 N ASP A 4 -3.945 11.364 9.004 1.00 0.00 N ATOM 47 CA ASP A 4 -4.835 12.535 8.918 1.00 0.00 C ATOM 48 C ASP A 4 -4.475 13.511 7.787 1.00 0.00 C ATOM 49 O ASP A 4 -3.983 14.607 8.027 1.00 0.00 O ATOM 50 CB ASP A 4 -4.813 13.272 10.276 1.00 0.00 C ATOM 51 CG ASP A 4 -3.415 13.755 10.692 1.00 0.00 C ATOM 52 OD1 ASP A 4 -2.486 12.923 10.782 1.00 0.00 O ATOM 53 OD2 ASP A 4 -3.234 14.966 10.947 1.00 0.00 O ATOM 0 H ASP A 4 -3.526 11.308 9.932 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.832 12.164 8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.484 14.129 10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.203 12.607 11.047 1.00 0.00 H new ATOM 58 N VAL A 5 -4.706 13.119 6.546 1.00 0.00 N ATOM 59 CA VAL A 5 -4.393 13.920 5.381 1.00 0.00 C ATOM 60 C VAL A 5 -4.701 13.105 4.149 1.00 0.00 C ATOM 61 O VAL A 5 -5.156 13.610 3.138 1.00 0.00 O ATOM 62 CB VAL A 5 -2.886 14.323 5.350 1.00 0.00 C ATOM 63 CG1 VAL A 5 -1.951 13.140 5.129 1.00 0.00 C ATOM 64 CG2 VAL A 5 -2.613 15.452 4.372 1.00 0.00 C ATOM 0 H VAL A 5 -5.125 12.217 6.318 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.989 14.832 5.416 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.662 14.700 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.919 13.489 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.081 12.418 5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.184 12.666 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.551 15.697 4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.900 15.141 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.192 16.330 4.659 1.00 0.00 H new ATOM 74 N LEU A 6 -4.486 11.818 4.258 1.00 0.00 N ATOM 75 CA LEU A 6 -4.569 10.987 3.109 1.00 0.00 C ATOM 76 C LEU A 6 -5.653 9.949 3.231 1.00 0.00 C ATOM 77 O LEU A 6 -6.463 9.831 2.381 1.00 0.00 O ATOM 78 CB LEU A 6 -3.199 10.387 2.856 1.00 0.00 C ATOM 79 CG LEU A 6 -2.633 9.535 3.988 1.00 0.00 C ATOM 80 CD1 LEU A 6 -2.841 8.049 3.761 1.00 0.00 C ATOM 81 CD2 LEU A 6 -1.206 9.866 4.364 1.00 0.00 C ATOM 0 H LEU A 6 -4.255 11.337 5.127 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.858 11.585 2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.251 9.775 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.500 11.197 2.651 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.225 9.809 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.419 7.491 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.908 7.838 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.346 7.749 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.883 9.214 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.558 9.718 3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.147 10.905 4.688 1.00 0.00 H new ATOM 93 N ASN A 7 -5.677 9.175 4.263 1.00 0.00 N ATOM 94 CA ASN A 7 -6.721 8.169 4.309 1.00 0.00 C ATOM 95 C ASN A 7 -8.106 8.786 4.510 1.00 0.00 C ATOM 96 O ASN A 7 -8.893 8.848 3.646 1.00 0.00 O ATOM 97 CB ASN A 7 -6.406 7.164 5.362 1.00 0.00 C ATOM 98 CG ASN A 7 -6.861 5.759 4.929 1.00 0.00 C ATOM 99 OD1 ASN A 7 -7.955 5.296 5.232 1.00 0.00 O ATOM 100 ND2 ASN A 7 -6.024 5.073 4.186 1.00 0.00 N ATOM 0 H ASN A 7 -5.032 9.201 5.053 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.752 7.664 3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.334 7.160 5.558 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.899 7.440 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.281 4.143 3.854 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.117 5.470 3.941 1.00 0.00 H new ATOM 107 N GLN A 8 -8.254 9.494 5.515 1.00 0.00 N ATOM 108 CA GLN A 8 -9.532 10.041 5.942 1.00 0.00 C ATOM 109 C GLN A 8 -9.886 11.160 4.985 1.00 0.00 C ATOM 110 O GLN A 8 -11.030 11.372 4.663 1.00 0.00 O ATOM 111 CB GLN A 8 -9.505 10.600 7.402 1.00 0.00 C ATOM 112 CG GLN A 8 -8.645 9.826 8.428 1.00 0.00 C ATOM 113 CD GLN A 8 -7.185 9.840 8.033 1.00 0.00 C ATOM 114 OE1 GLN A 8 -6.803 10.859 7.290 1.00 0.00 O flip ATOM 115 NE2 GLN A 8 -6.420 8.942 8.320 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.480 9.751 6.128 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.270 9.239 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.147 11.629 7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.530 10.632 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.762 10.272 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.996 8.797 8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.740 8.164 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.457 8.966 7.984 1.00 0.00 H new ATOM 124 N GLN A 9 -8.888 11.857 4.482 1.00 0.00 N ATOM 125 CA GLN A 9 -9.174 12.856 3.516 1.00 0.00 C ATOM 126 C GLN A 9 -9.212 12.267 2.125 1.00 0.00 C ATOM 127 O GLN A 9 -10.266 12.077 1.576 1.00 0.00 O ATOM 128 CB GLN A 9 -8.204 14.020 3.593 1.00 0.00 C ATOM 129 CG GLN A 9 -8.475 15.085 2.561 1.00 0.00 C ATOM 130 CD GLN A 9 -7.592 16.290 2.740 1.00 0.00 C ATOM 131 OE1 GLN A 9 -6.507 16.390 2.159 1.00 0.00 O ATOM 132 NE2 GLN A 9 -8.040 17.208 3.559 1.00 0.00 N ATOM 0 H GLN A 9 -7.904 11.744 4.727 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.163 13.252 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.257 14.464 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.188 13.648 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.322 14.670 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.520 15.390 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.942 17.085 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.487 18.046 3.738 1.00 0.00 H new ATOM 141 N LYS A 10 -8.068 11.824 1.648 1.00 0.00 N ATOM 142 CA LYS A 10 -7.887 11.425 0.261 1.00 0.00 C ATOM 143 C LYS A 10 -8.589 10.103 -0.041 1.00 0.00 C ATOM 144 O LYS A 10 -8.996 9.854 -1.168 1.00 0.00 O ATOM 145 CB LYS A 10 -6.390 11.306 -0.050 1.00 0.00 C ATOM 146 CG LYS A 10 -6.023 11.338 -1.515 1.00 0.00 C ATOM 147 CD LYS A 10 -5.809 12.768 -2.018 1.00 0.00 C ATOM 148 CE LYS A 10 -6.926 13.708 -1.610 1.00 0.00 C ATOM 149 NZ LYS A 10 -6.810 15.061 -2.177 1.00 0.00 N ATOM 0 H LYS A 10 -7.226 11.728 2.216 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.336 12.191 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.867 12.118 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.021 10.374 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.115 10.757 -1.675 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.812 10.862 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.863 13.146 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.728 12.758 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.879 13.277 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.945 13.782 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.710 15.567 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.053 15.579 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.585 14.995 -3.190 1.00 0.00 H new ATOM 163 N ILE A 11 -8.802 9.292 0.974 1.00 0.00 N ATOM 164 CA ILE A 11 -9.480 8.057 0.773 1.00 0.00 C ATOM 165 C ILE A 11 -10.911 8.270 0.987 1.00 0.00 C ATOM 166 O ILE A 11 -11.674 7.859 0.201 1.00 0.00 O ATOM 167 CB ILE A 11 -8.913 6.845 1.640 1.00 0.00 C ATOM 168 CG1 ILE A 11 -8.752 5.639 0.797 1.00 0.00 C ATOM 169 CG2 ILE A 11 -9.839 6.411 2.820 1.00 0.00 C ATOM 170 CD1 ILE A 11 -10.040 4.990 0.491 1.00 0.00 C ATOM 0 H ILE A 11 -8.513 9.476 1.935 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.299 7.744 -0.255 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.971 7.218 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.257 5.914 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.102 4.928 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.379 5.582 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.979 7.251 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.806 6.097 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.866 4.111 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.525 4.689 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.682 5.690 -0.043 1.00 0.00 H new ATOM 182 N GLU A 12 -11.279 9.021 1.974 1.00 0.00 N ATOM 183 CA GLU A 12 -12.668 9.088 2.265 1.00 0.00 C ATOM 184 C GLU A 12 -13.402 9.978 1.252 1.00 0.00 C ATOM 185 O GLU A 12 -14.579 9.722 0.911 1.00 0.00 O ATOM 186 CB GLU A 12 -12.827 9.444 3.725 1.00 0.00 C ATOM 187 CG GLU A 12 -13.233 8.285 4.621 1.00 0.00 C ATOM 188 CD GLU A 12 -14.604 7.728 4.297 1.00 0.00 C ATOM 189 OE1 GLU A 12 -15.608 8.254 4.828 1.00 0.00 O ATOM 190 OE2 GLU A 12 -14.709 6.745 3.547 1.00 0.00 O ATOM 0 H GLU A 12 -10.664 9.575 2.570 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.162 8.125 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.885 9.855 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.574 10.233 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.494 7.489 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.219 8.616 5.660 1.00 0.00 H new ATOM 197 N GLU A 13 -12.634 10.893 0.648 1.00 0.00 N ATOM 198 CA GLU A 13 -13.166 11.820 -0.341 1.00 0.00 C ATOM 199 C GLU A 13 -13.271 11.140 -1.702 1.00 0.00 C ATOM 200 O GLU A 13 -14.218 11.373 -2.461 1.00 0.00 O ATOM 201 CB GLU A 13 -12.281 13.067 -0.503 1.00 0.00 C ATOM 202 CG GLU A 13 -10.983 12.846 -1.280 1.00 0.00 C ATOM 203 CD GLU A 13 -10.346 14.134 -1.748 1.00 0.00 C ATOM 204 OE1 GLU A 13 -9.652 14.799 -0.961 1.00 0.00 O ATOM 205 OE2 GLU A 13 -10.507 14.495 -2.932 1.00 0.00 O ATOM 0 H GLU A 13 -11.637 11.006 0.833 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.149 12.126 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.860 13.841 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.033 13.448 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.276 12.306 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.187 12.213 -2.144 1.00 0.00 H new ATOM 212 N LEU A 14 -12.300 10.294 -1.995 1.00 0.00 N ATOM 213 CA LEU A 14 -12.223 9.717 -3.289 1.00 0.00 C ATOM 214 C LEU A 14 -12.821 8.344 -3.309 1.00 0.00 C ATOM 215 O LEU A 14 -13.143 7.850 -4.368 1.00 0.00 O ATOM 216 CB LEU A 14 -10.787 9.725 -3.796 1.00 0.00 C ATOM 217 CG LEU A 14 -10.598 9.424 -5.277 1.00 0.00 C ATOM 218 CD1 LEU A 14 -11.383 10.421 -6.110 1.00 0.00 C ATOM 219 CD2 LEU A 14 -9.132 9.494 -5.628 1.00 0.00 C ATOM 0 H LEU A 14 -11.567 10.004 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.814 10.327 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.355 10.703 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.216 8.995 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.966 8.420 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.244 10.200 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.442 10.350 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.028 11.430 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.001 9.278 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.753 10.493 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.581 8.762 -5.038 1.00 0.00 H new ATOM 231 N SER A 15 -12.842 7.680 -2.161 1.00 0.00 N ATOM 232 CA SER A 15 -13.559 6.454 -2.023 1.00 0.00 C ATOM 233 C SER A 15 -14.993 6.828 -2.324 1.00 0.00 C ATOM 234 O SER A 15 -15.406 6.706 -3.470 1.00 0.00 O ATOM 235 CB SER A 15 -13.421 5.873 -0.595 1.00 0.00 C ATOM 236 OG SER A 15 -13.886 4.548 -0.496 1.00 0.00 O ATOM 0 H SER A 15 -12.361 7.987 -1.315 1.00 0.00 H new ATOM 0 HA SER A 15 -13.180 5.678 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.374 5.909 -0.293 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.976 6.501 0.102 1.00 0.00 H new ATOM 0 HG SER A 15 -13.774 4.230 0.424 1.00 0.00 H new ATOM 242 N ALA A 16 -15.741 7.279 -1.305 1.00 0.00 N ATOM 243 CA ALA A 16 -17.060 7.850 -1.551 1.00 0.00 C ATOM 244 C ALA A 16 -17.946 6.982 -2.501 1.00 0.00 C ATOM 245 O ALA A 16 -18.039 5.767 -2.354 1.00 0.00 O ATOM 246 CB ALA A 16 -16.803 9.217 -2.177 1.00 0.00 C ATOM 0 H ALA A 16 -15.457 7.258 -0.326 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.617 7.906 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.754 9.705 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.226 9.831 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.244 9.093 -3.105 1.00 0.00 H new ATOM 252 N GLU A 17 -18.558 7.665 -3.476 1.00 0.00 N ATOM 253 CA GLU A 17 -19.414 7.116 -4.530 1.00 0.00 C ATOM 254 C GLU A 17 -18.711 6.017 -5.318 1.00 0.00 C ATOM 255 O GLU A 17 -19.358 5.193 -5.970 1.00 0.00 O ATOM 256 CB GLU A 17 -19.759 8.231 -5.513 1.00 0.00 C ATOM 257 CG GLU A 17 -20.540 9.396 -4.919 1.00 0.00 C ATOM 258 CD GLU A 17 -20.690 10.547 -5.896 1.00 0.00 C ATOM 259 OE1 GLU A 17 -21.168 10.329 -7.028 1.00 0.00 O ATOM 260 OE2 GLU A 17 -20.357 11.699 -5.539 1.00 0.00 O ATOM 0 H GLU A 17 -18.462 8.678 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.301 6.700 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.834 8.615 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.338 7.806 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.528 9.050 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.034 9.749 -4.020 1.00 0.00 H new ATOM 267 N ILE A 18 -17.398 5.987 -5.241 1.00 0.00 N ATOM 268 CA ILE A 18 -16.627 5.021 -5.899 1.00 0.00 C ATOM 269 C ILE A 18 -16.040 4.012 -4.964 1.00 0.00 C ATOM 270 O ILE A 18 -16.731 3.018 -4.711 1.00 0.00 O ATOM 271 CB ILE A 18 -15.728 5.561 -7.019 1.00 0.00 C ATOM 272 CG1 ILE A 18 -14.720 6.595 -6.534 1.00 0.00 C ATOM 273 CG2 ILE A 18 -16.624 6.200 -8.070 1.00 0.00 C ATOM 274 CD1 ILE A 18 -13.761 7.066 -7.611 1.00 0.00 C ATOM 0 H ILE A 18 -16.850 6.658 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 18 -17.321 4.425 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.154 4.725 -7.419 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -15.258 7.456 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -14.146 6.171 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.011 6.594 -8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -17.311 5.452 -8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -17.193 7.013 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.074 7.801 -7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.195 6.216 -7.991 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.324 7.521 -8.426 1.00 0.00 H new ATOM 286 N GLY A 19 -14.809 4.092 -4.450 1.00 0.00 N ATOM 287 CA GLY A 19 -14.138 3.242 -3.499 1.00 0.00 C ATOM 288 C GLY A 19 -14.943 2.583 -2.434 1.00 0.00 C ATOM 289 O GLY A 19 -14.523 1.546 -1.987 1.00 0.00 O ATOM 0 H GLY A 19 -14.195 4.855 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.627 2.459 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.368 3.838 -3.010 1.00 0.00 H new ATOM 293 N SER A 20 -16.080 3.108 -2.032 1.00 0.00 N ATOM 294 CA SER A 20 -16.899 2.412 -1.065 1.00 0.00 C ATOM 295 C SER A 20 -17.248 0.998 -1.623 1.00 0.00 C ATOM 296 O SER A 20 -17.432 0.029 -0.874 1.00 0.00 O ATOM 297 CB SER A 20 -18.116 3.288 -0.758 1.00 0.00 C ATOM 298 OG SER A 20 -18.961 2.730 0.240 1.00 0.00 O ATOM 0 H SER A 20 -16.454 4.001 -2.354 1.00 0.00 H new ATOM 0 HA SER A 20 -16.382 2.244 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.777 4.271 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.691 3.436 -1.672 1.00 0.00 H new ATOM 0 HG SER A 20 -19.720 3.329 0.398 1.00 0.00 H new ATOM 304 N ASP A 21 -17.285 0.907 -2.955 1.00 0.00 N ATOM 305 CA ASP A 21 -17.371 -0.375 -3.659 1.00 0.00 C ATOM 306 C ASP A 21 -16.039 -0.772 -4.291 1.00 0.00 C ATOM 307 O ASP A 21 -15.820 -1.939 -4.576 1.00 0.00 O ATOM 308 CB ASP A 21 -18.405 -0.302 -4.767 1.00 0.00 C ATOM 309 CG ASP A 21 -18.608 -1.609 -5.522 1.00 0.00 C ATOM 310 OD1 ASP A 21 -19.388 -2.477 -5.060 1.00 0.00 O ATOM 311 OD2 ASP A 21 -18.019 -1.776 -6.611 1.00 0.00 O ATOM 0 H ASP A 21 -17.256 1.717 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.651 -1.120 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.358 0.008 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.107 0.471 -5.476 1.00 0.00 H new ATOM 316 N ASN A 22 -15.107 0.156 -4.468 1.00 0.00 N ATOM 317 CA ASN A 22 -13.881 -0.168 -5.198 1.00 0.00 C ATOM 318 C ASN A 22 -12.691 -0.523 -4.288 1.00 0.00 C ATOM 319 O ASN A 22 -12.009 -1.520 -4.524 1.00 0.00 O ATOM 320 CB ASN A 22 -13.508 0.926 -6.222 1.00 0.00 C ATOM 321 CG ASN A 22 -12.054 0.872 -6.682 1.00 0.00 C ATOM 322 OD1 ASN A 22 -11.188 1.528 -6.111 1.00 0.00 O ATOM 323 ND2 ASN A 22 -11.768 0.088 -7.690 1.00 0.00 N ATOM 0 H ASN A 22 -15.169 1.116 -4.128 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.111 -1.077 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.158 0.832 -7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.704 1.904 -5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.806 0.011 -8.019 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.507 -0.446 -8.146 1.00 0.00 H new ATOM 330 N VAL A 23 -12.452 0.257 -3.236 1.00 0.00 N ATOM 331 CA VAL A 23 -11.295 0.035 -2.373 1.00 0.00 C ATOM 332 C VAL A 23 -11.307 -1.266 -1.557 1.00 0.00 C ATOM 333 O VAL A 23 -10.284 -1.928 -1.527 1.00 0.00 O ATOM 334 CB VAL A 23 -10.817 1.281 -1.546 1.00 0.00 C ATOM 335 CG1 VAL A 23 -11.861 1.793 -0.576 1.00 0.00 C ATOM 336 CG2 VAL A 23 -9.523 0.987 -0.804 1.00 0.00 C ATOM 0 H VAL A 23 -13.040 1.044 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.510 -0.121 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.643 2.070 -2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.466 2.654 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.755 2.088 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.115 1.006 0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.218 1.869 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.678 0.154 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.744 0.727 -1.520 1.00 0.00 H new ATOM 346 N PRO A 24 -12.436 -1.714 -0.907 1.00 0.00 N ATOM 347 CA PRO A 24 -12.427 -2.996 -0.191 1.00 0.00 C ATOM 348 C PRO A 24 -12.148 -4.098 -1.187 1.00 0.00 C ATOM 349 O PRO A 24 -11.462 -5.071 -0.888 1.00 0.00 O ATOM 350 CB PRO A 24 -13.850 -3.131 0.362 1.00 0.00 C ATOM 351 CG PRO A 24 -14.388 -1.746 0.357 1.00 0.00 C ATOM 352 CD PRO A 24 -13.761 -1.071 -0.819 1.00 0.00 C ATOM 0 HA PRO A 24 -11.675 -3.052 0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.455 -3.793 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.846 -3.551 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.475 -1.749 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.141 -1.227 1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.343 -1.222 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.678 0.005 -0.669 1.00 0.00 H new ATOM 360 N VAL A 25 -12.712 -3.892 -2.377 1.00 0.00 N ATOM 361 CA VAL A 25 -12.426 -4.811 -3.452 1.00 0.00 C ATOM 362 C VAL A 25 -10.914 -4.869 -3.745 1.00 0.00 C ATOM 363 O VAL A 25 -10.309 -5.908 -3.529 1.00 0.00 O ATOM 364 CB VAL A 25 -13.254 -4.536 -4.734 1.00 0.00 C ATOM 365 CG1 VAL A 25 -12.770 -5.400 -5.895 1.00 0.00 C ATOM 366 CG2 VAL A 25 -14.719 -4.836 -4.461 1.00 0.00 C ATOM 0 H VAL A 25 -13.344 -3.125 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.742 -5.796 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.129 -3.488 -5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.368 -5.187 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.723 -5.178 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.873 -6.453 -5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.304 -4.644 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.829 -5.882 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.077 -4.198 -3.653 1.00 0.00 H new ATOM 376 N LEU A 26 -10.283 -3.758 -4.154 1.00 0.00 N ATOM 377 CA LEU A 26 -8.879 -3.703 -4.576 1.00 0.00 C ATOM 378 C LEU A 26 -7.939 -4.105 -3.401 1.00 0.00 C ATOM 379 O LEU A 26 -7.161 -5.026 -3.509 1.00 0.00 O ATOM 380 CB LEU A 26 -8.549 -2.247 -5.064 1.00 0.00 C ATOM 381 CG LEU A 26 -7.597 -2.077 -6.294 1.00 0.00 C ATOM 382 CD1 LEU A 26 -6.296 -2.841 -6.138 1.00 0.00 C ATOM 383 CD2 LEU A 26 -8.306 -2.480 -7.578 1.00 0.00 C ATOM 0 H LEU A 26 -10.748 -2.852 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.719 -4.408 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.492 -1.754 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.109 -1.707 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.336 -1.020 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.675 -2.687 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.767 -2.482 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.509 -3.904 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.628 -2.355 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.614 -3.523 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.184 -1.851 -7.722 1.00 0.00 H new ATOM 395 N LEU A 27 -8.017 -3.314 -2.353 1.00 0.00 N ATOM 396 CA LEU A 27 -7.191 -3.485 -1.170 1.00 0.00 C ATOM 397 C LEU A 27 -7.137 -4.947 -0.722 1.00 0.00 C ATOM 398 O LEU A 27 -6.067 -5.532 -0.649 1.00 0.00 O ATOM 399 CB LEU A 27 -7.712 -2.609 -0.018 1.00 0.00 C ATOM 400 CG LEU A 27 -6.969 -2.769 1.304 1.00 0.00 C ATOM 401 CD1 LEU A 27 -5.546 -2.228 1.212 1.00 0.00 C ATOM 402 CD2 LEU A 27 -7.729 -2.129 2.448 1.00 0.00 C ATOM 0 H LEU A 27 -8.661 -2.525 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.180 -3.174 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.657 -1.564 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.765 -2.839 0.145 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.901 -3.837 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.045 -2.358 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.000 -2.771 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.575 -1.168 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.171 -2.262 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.856 -1.065 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.708 -2.600 2.543 1.00 0.00 H new ATOM 414 N ASP A 28 -8.290 -5.553 -0.514 1.00 0.00 N ATOM 415 CA ASP A 28 -8.324 -6.916 0.001 1.00 0.00 C ATOM 416 C ASP A 28 -7.906 -7.952 -1.047 1.00 0.00 C ATOM 417 O ASP A 28 -7.441 -9.038 -0.700 1.00 0.00 O ATOM 418 CB ASP A 28 -9.684 -7.260 0.609 1.00 0.00 C ATOM 419 CG ASP A 28 -9.702 -8.623 1.270 1.00 0.00 C ATOM 420 OD1 ASP A 28 -9.178 -8.762 2.397 1.00 0.00 O ATOM 421 OD2 ASP A 28 -10.267 -9.576 0.693 1.00 0.00 O ATOM 0 H ASP A 28 -9.204 -5.135 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.583 -6.958 0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.951 -6.501 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.444 -7.229 -0.171 1.00 0.00 H new ATOM 426 N ILE A 29 -8.022 -7.630 -2.325 1.00 0.00 N ATOM 427 CA ILE A 29 -7.604 -8.586 -3.327 1.00 0.00 C ATOM 428 C ILE A 29 -6.114 -8.483 -3.536 1.00 0.00 C ATOM 429 O ILE A 29 -5.429 -9.492 -3.601 1.00 0.00 O ATOM 430 CB ILE A 29 -8.342 -8.481 -4.692 1.00 0.00 C ATOM 431 CG1 ILE A 29 -8.158 -7.092 -5.310 1.00 0.00 C ATOM 432 CG2 ILE A 29 -9.811 -8.842 -4.539 1.00 0.00 C ATOM 433 CD1 ILE A 29 -8.776 -6.885 -6.675 1.00 0.00 C ATOM 0 H ILE A 29 -8.388 -6.747 -2.681 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.879 -9.563 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.898 -9.201 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.579 -6.354 -4.627 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.090 -6.887 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.308 -8.762 -5.506 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.898 -9.864 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.282 -8.159 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.582 -5.867 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.340 -7.590 -7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.852 -7.049 -6.616 1.00 0.00 H new ATOM 445 N PHE A 30 -5.595 -7.264 -3.566 1.00 0.00 N ATOM 446 CA PHE A 30 -4.210 -7.066 -3.841 1.00 0.00 C ATOM 447 C PHE A 30 -3.388 -7.588 -2.696 1.00 0.00 C ATOM 448 O PHE A 30 -2.366 -8.189 -2.879 1.00 0.00 O ATOM 449 CB PHE A 30 -3.934 -5.618 -4.282 1.00 0.00 C ATOM 450 CG PHE A 30 -3.659 -4.532 -3.260 1.00 0.00 C ATOM 451 CD1 PHE A 30 -2.501 -4.510 -2.514 1.00 0.00 C ATOM 452 CD2 PHE A 30 -4.530 -3.479 -3.132 1.00 0.00 C ATOM 453 CE1 PHE A 30 -2.233 -3.461 -1.657 1.00 0.00 C ATOM 454 CE2 PHE A 30 -4.276 -2.436 -2.273 1.00 0.00 C ATOM 455 CZ PHE A 30 -3.124 -2.426 -1.535 1.00 0.00 C ATOM 0 H PHE A 30 -6.125 -6.408 -3.401 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.894 -7.653 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.078 -5.647 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.792 -5.294 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.795 -5.322 -2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.436 -3.470 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.319 -3.456 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.985 -1.626 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.918 -1.608 -0.861 1.00 0.00 H new ATOM 465 N LEU A 31 -3.992 -7.576 -1.551 1.00 0.00 N ATOM 466 CA LEU A 31 -3.429 -8.160 -0.414 1.00 0.00 C ATOM 467 C LEU A 31 -3.679 -9.648 -0.409 1.00 0.00 C ATOM 468 O LEU A 31 -2.754 -10.394 -0.522 1.00 0.00 O ATOM 469 CB LEU A 31 -3.955 -7.463 0.826 1.00 0.00 C ATOM 470 CG LEU A 31 -3.572 -6.033 0.959 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.030 -5.500 2.288 1.00 0.00 C ATOM 472 CD2 LEU A 31 -2.102 -5.856 0.686 1.00 0.00 C ATOM 0 H LEU A 31 -4.905 -7.149 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.347 -8.032 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.043 -7.533 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.599 -8.001 1.704 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.081 -5.431 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.745 -4.452 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.114 -5.589 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.563 -6.072 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.837 -4.804 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.526 -6.445 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.877 -6.191 -0.327 1.00 0.00 H new ATOM 484 N GLY A 32 -4.929 -10.063 -0.394 1.00 0.00 N ATOM 485 CA GLY A 32 -5.305 -11.465 -0.248 1.00 0.00 C ATOM 486 C GLY A 32 -4.839 -12.399 -1.358 1.00 0.00 C ATOM 487 O GLY A 32 -4.381 -13.499 -1.077 1.00 0.00 O ATOM 0 H GLY A 32 -5.726 -9.433 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.907 -11.831 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.391 -11.525 -0.182 1.00 0.00 H new ATOM 491 N GLU A 33 -4.939 -11.982 -2.606 1.00 0.00 N ATOM 492 CA GLU A 33 -4.561 -12.850 -3.731 1.00 0.00 C ATOM 493 C GLU A 33 -3.053 -12.838 -3.876 1.00 0.00 C ATOM 494 O GLU A 33 -2.415 -13.814 -4.259 1.00 0.00 O ATOM 495 CB GLU A 33 -5.208 -12.361 -5.014 1.00 0.00 C ATOM 496 CG GLU A 33 -6.654 -11.965 -4.824 1.00 0.00 C ATOM 497 CD GLU A 33 -7.368 -11.772 -6.130 1.00 0.00 C ATOM 498 OE1 GLU A 33 -7.195 -10.717 -6.777 1.00 0.00 O ATOM 499 OE2 GLU A 33 -8.107 -12.692 -6.538 1.00 0.00 O ATOM 0 H GLU A 33 -5.275 -11.058 -2.876 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.905 -13.866 -3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.649 -11.507 -5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.146 -13.145 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.165 -12.733 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.703 -11.042 -4.246 1.00 0.00 H new ATOM 506 N MET A 34 -2.522 -11.700 -3.572 1.00 0.00 N ATOM 507 CA MET A 34 -1.082 -11.687 -3.594 1.00 0.00 C ATOM 508 C MET A 34 -0.499 -12.444 -2.422 1.00 0.00 C ATOM 509 O MET A 34 0.508 -13.144 -2.543 1.00 0.00 O ATOM 510 CB MET A 34 -0.588 -10.332 -3.648 1.00 0.00 C ATOM 511 CG MET A 34 -0.828 -9.705 -5.023 1.00 0.00 C ATOM 512 SD MET A 34 -0.115 -8.078 -5.225 1.00 0.00 S ATOM 513 CE MET A 34 1.583 -8.449 -4.858 1.00 0.00 C ATOM 0 H MET A 34 -3.002 -10.835 -3.325 1.00 0.00 H new ATOM 0 HA MET A 34 -0.756 -12.202 -4.497 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.080 -9.733 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.479 -10.323 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.418 -10.366 -5.787 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.902 -9.642 -5.198 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.213 -7.617 -5.172 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.698 -8.606 -3.785 1.00 0.00 H new ATOM 0 HE3 MET A 34 1.881 -9.352 -5.391 1.00 0.00 H new ATOM 523 N ASP A 35 -1.208 -12.395 -1.328 1.00 0.00 N ATOM 524 CA ASP A 35 -0.910 -13.135 -0.122 1.00 0.00 C ATOM 525 C ASP A 35 -1.096 -14.613 -0.413 1.00 0.00 C ATOM 526 O ASP A 35 -0.434 -15.473 0.177 1.00 0.00 O ATOM 527 CB ASP A 35 -1.881 -12.687 0.975 1.00 0.00 C ATOM 528 CG ASP A 35 -1.795 -13.532 2.238 1.00 0.00 C ATOM 529 OD1 ASP A 35 -0.866 -13.353 3.045 1.00 0.00 O ATOM 530 OD2 ASP A 35 -2.675 -14.398 2.444 1.00 0.00 O ATOM 0 H ASP A 35 -2.044 -11.817 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 35 0.113 -12.955 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.677 -11.647 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.899 -12.727 0.588 1.00 0.00 H new ATOM 535 N SER A 36 -1.940 -14.878 -1.410 1.00 0.00 N ATOM 536 CA SER A 36 -2.242 -16.229 -1.803 1.00 0.00 C ATOM 537 C SER A 36 -1.016 -16.885 -2.286 1.00 0.00 C ATOM 538 O SER A 36 -0.647 -18.001 -1.895 1.00 0.00 O ATOM 539 CB SER A 36 -3.220 -16.324 -2.947 1.00 0.00 C ATOM 540 OG SER A 36 -4.471 -15.713 -2.652 1.00 0.00 O ATOM 0 H SER A 36 -2.422 -14.163 -1.954 1.00 0.00 H new ATOM 0 HA SER A 36 -2.671 -16.697 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.788 -15.851 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.382 -17.373 -3.195 1.00 0.00 H new ATOM 0 HG SER A 36 -4.344 -15.021 -1.969 1.00 0.00 H new ATOM 546 N TYR A 37 -0.394 -16.147 -3.147 1.00 0.00 N ATOM 547 CA TYR A 37 0.744 -16.578 -3.819 1.00 0.00 C ATOM 548 C TYR A 37 1.855 -16.853 -2.918 1.00 0.00 C ATOM 549 O TYR A 37 2.387 -17.897 -2.947 1.00 0.00 O ATOM 550 CB TYR A 37 1.063 -15.685 -4.983 1.00 0.00 C ATOM 551 CG TYR A 37 0.216 -16.158 -6.089 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.116 -15.825 -6.202 1.00 0.00 C ATOM 553 CD2 TYR A 37 0.734 -17.072 -6.920 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.895 -16.413 -7.181 1.00 0.00 C ATOM 555 CE2 TYR A 37 0.008 -17.686 -7.870 1.00 0.00 C ATOM 556 CZ TYR A 37 -1.317 -17.363 -8.019 1.00 0.00 C ATOM 557 OH TYR A 37 -2.069 -18.002 -8.980 1.00 0.00 O ATOM 0 H TYR A 37 -0.689 -15.203 -3.395 1.00 0.00 H new ATOM 0 HA TYR A 37 0.531 -17.551 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.852 -14.642 -4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.119 -15.745 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.552 -15.104 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.779 -17.326 -6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.934 -16.140 -7.294 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.464 -18.427 -8.510 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.503 -18.632 -9.473 1.00 0.00 H new ATOM 567 N ILE A 38 2.062 -16.020 -2.000 1.00 0.00 N ATOM 568 CA ILE A 38 3.169 -16.138 -1.091 1.00 0.00 C ATOM 569 C ILE A 38 2.951 -17.253 -0.069 1.00 0.00 C ATOM 570 O ILE A 38 3.879 -17.758 0.535 1.00 0.00 O ATOM 571 CB ILE A 38 3.530 -14.745 -0.552 1.00 0.00 C ATOM 572 CG1 ILE A 38 4.447 -14.019 -1.564 1.00 0.00 C ATOM 573 CG2 ILE A 38 4.151 -14.757 0.845 1.00 0.00 C ATOM 574 CD1 ILE A 38 4.350 -14.437 -3.046 1.00 0.00 C ATOM 0 H ILE A 38 1.469 -15.207 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 38 4.067 -16.481 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 38 2.593 -14.199 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.236 -12.951 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.479 -14.159 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.376 -13.736 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.450 -15.202 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.070 -15.342 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.049 -13.845 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.597 -15.494 -3.143 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.335 -14.267 -3.406 1.00 0.00 H new ATOM 586 N GLY A 39 1.728 -17.686 0.072 1.00 0.00 N ATOM 587 CA GLY A 39 1.506 -18.894 0.821 1.00 0.00 C ATOM 588 C GLY A 39 2.158 -20.070 0.078 1.00 0.00 C ATOM 589 O GLY A 39 3.068 -20.730 0.588 1.00 0.00 O ATOM 0 H GLY A 39 0.894 -17.239 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.929 -18.800 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.437 -19.071 0.942 1.00 0.00 H new ATOM 593 N THR A 40 1.818 -20.179 -1.191 1.00 0.00 N ATOM 594 CA THR A 40 2.199 -21.285 -2.019 1.00 0.00 C ATOM 595 C THR A 40 3.593 -21.078 -2.618 1.00 0.00 C ATOM 596 O THR A 40 4.485 -21.874 -2.431 1.00 0.00 O ATOM 597 CB THR A 40 1.165 -21.446 -3.144 1.00 0.00 C ATOM 598 OG1 THR A 40 -0.159 -21.556 -2.578 1.00 0.00 O ATOM 599 CG2 THR A 40 1.479 -22.670 -3.966 1.00 0.00 C ATOM 0 H THR A 40 1.256 -19.480 -1.678 1.00 0.00 H new ATOM 0 HA THR A 40 2.231 -22.186 -1.406 1.00 0.00 H new ATOM 0 HB THR A 40 1.205 -20.570 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.815 -21.657 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.740 -22.774 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.472 -22.569 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.453 -23.553 -3.328 1.00 0.00 H new ATOM 607 N LEU A 41 3.766 -20.016 -3.359 1.00 0.00 N ATOM 608 CA LEU A 41 4.970 -19.598 -4.034 1.00 0.00 C ATOM 609 C LEU A 41 6.173 -19.414 -3.117 1.00 0.00 C ATOM 610 O LEU A 41 7.269 -19.583 -3.556 1.00 0.00 O ATOM 611 CB LEU A 41 4.631 -18.293 -4.701 1.00 0.00 C ATOM 612 CG LEU A 41 3.853 -18.323 -6.001 1.00 0.00 C ATOM 613 CD1 LEU A 41 4.761 -18.677 -7.172 1.00 0.00 C ATOM 614 CD2 LEU A 41 2.696 -19.309 -5.979 1.00 0.00 C ATOM 0 H LEU A 41 3.000 -19.362 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 41 5.272 -20.378 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.062 -17.695 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.566 -17.764 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 41 3.447 -17.319 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.178 -18.692 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.553 -17.933 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.202 -19.660 -7.006 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.178 -19.284 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.078 -20.314 -5.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.001 -19.037 -5.184 1.00 0.00 H new ATOM 626 N THR A 42 5.950 -19.076 -1.866 1.00 0.00 N ATOM 627 CA THR A 42 7.050 -19.010 -0.897 1.00 0.00 C ATOM 628 C THR A 42 7.444 -20.399 -0.479 1.00 0.00 C ATOM 629 O THR A 42 8.625 -20.735 -0.365 1.00 0.00 O ATOM 630 CB THR A 42 6.646 -18.183 0.319 1.00 0.00 C ATOM 631 OG1 THR A 42 6.392 -16.845 -0.100 1.00 0.00 O ATOM 632 CG2 THR A 42 7.680 -18.211 1.435 1.00 0.00 C ATOM 0 H THR A 42 5.032 -18.843 -1.487 1.00 0.00 H new ATOM 0 HA THR A 42 7.905 -18.525 -1.369 1.00 0.00 H new ATOM 0 HB THR A 42 5.745 -18.628 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.444 -16.793 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.331 -17.603 2.270 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.826 -19.238 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.625 -17.812 1.066 1.00 0.00 H new ATOM 640 N GLU A 43 6.440 -21.220 -0.322 1.00 0.00 N ATOM 641 CA GLU A 43 6.706 -22.621 -0.019 1.00 0.00 C ATOM 642 C GLU A 43 7.141 -23.378 -1.290 1.00 0.00 C ATOM 643 O GLU A 43 7.324 -24.596 -1.284 1.00 0.00 O ATOM 644 CB GLU A 43 5.571 -23.340 0.730 1.00 0.00 C ATOM 645 CG GLU A 43 4.294 -23.573 -0.031 1.00 0.00 C ATOM 646 CD GLU A 43 3.362 -24.472 0.727 1.00 0.00 C ATOM 647 OE1 GLU A 43 3.512 -25.713 0.619 1.00 0.00 O ATOM 648 OE2 GLU A 43 2.472 -23.978 1.440 1.00 0.00 O ATOM 0 H GLU A 43 5.455 -20.965 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 43 7.535 -22.624 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.946 -24.306 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.333 -22.761 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.804 -22.619 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.522 -24.016 -1.000 1.00 0.00 H new ATOM 655 N LEU A 44 7.295 -22.640 -2.389 1.00 0.00 N ATOM 656 CA LEU A 44 7.776 -23.167 -3.629 1.00 0.00 C ATOM 657 C LEU A 44 9.108 -22.527 -4.053 1.00 0.00 C ATOM 658 O LEU A 44 9.959 -23.202 -4.628 1.00 0.00 O ATOM 659 CB LEU A 44 6.709 -22.920 -4.705 1.00 0.00 C ATOM 660 CG LEU A 44 5.509 -23.861 -4.729 1.00 0.00 C ATOM 661 CD1 LEU A 44 4.549 -23.421 -5.815 1.00 0.00 C ATOM 662 CD2 LEU A 44 5.952 -25.294 -4.966 1.00 0.00 C ATOM 0 H LEU A 44 7.080 -21.644 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 44 7.962 -24.234 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.337 -21.902 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.195 -22.968 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 44 5.007 -23.820 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.690 -24.092 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.211 -22.405 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.054 -23.450 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.079 -25.947 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.470 -25.361 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.625 -25.604 -4.166 1.00 0.00 H new ATOM 674 N GLN A 45 9.299 -21.244 -3.731 1.00 0.00 N ATOM 675 CA GLN A 45 10.419 -20.456 -4.251 1.00 0.00 C ATOM 676 C GLN A 45 10.453 -19.063 -3.646 1.00 0.00 C ATOM 677 O GLN A 45 9.681 -18.740 -2.755 1.00 0.00 O ATOM 678 CB GLN A 45 10.283 -20.384 -5.771 1.00 0.00 C ATOM 679 CG GLN A 45 9.103 -19.593 -6.293 1.00 0.00 C ATOM 680 CD GLN A 45 8.983 -19.682 -7.794 1.00 0.00 C ATOM 681 OE1 GLN A 45 9.536 -18.862 -8.520 1.00 0.00 O ATOM 682 NE2 GLN A 45 8.278 -20.678 -8.268 1.00 0.00 N ATOM 0 H GLN A 45 8.684 -20.725 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 45 11.358 -20.937 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.196 -19.949 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.214 -21.400 -6.159 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.187 -19.963 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.208 -18.549 -5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.834 -21.338 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.173 -20.794 -9.276 1.00 0.00 H new ATOM 691 N GLY A 46 11.366 -18.251 -4.133 1.00 0.00 N ATOM 692 CA GLY A 46 11.509 -16.883 -3.680 1.00 0.00 C ATOM 693 C GLY A 46 10.651 -15.950 -4.475 1.00 0.00 C ATOM 694 O GLY A 46 10.999 -14.808 -4.631 1.00 0.00 O ATOM 0 H GLY A 46 12.032 -18.521 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.240 -16.818 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.552 -16.579 -3.762 1.00 0.00 H new ATOM 698 N SER A 47 9.590 -16.512 -5.051 1.00 0.00 N ATOM 699 CA SER A 47 8.559 -15.816 -5.781 1.00 0.00 C ATOM 700 C SER A 47 8.262 -14.484 -5.152 1.00 0.00 C ATOM 701 O SER A 47 8.014 -13.575 -5.841 1.00 0.00 O ATOM 702 CB SER A 47 7.329 -16.666 -5.789 1.00 0.00 C ATOM 703 OG SER A 47 6.303 -16.080 -6.559 1.00 0.00 O ATOM 0 H SER A 47 9.428 -17.518 -5.013 1.00 0.00 H new ATOM 0 HA SER A 47 8.898 -15.633 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.568 -17.651 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.980 -16.813 -4.767 1.00 0.00 H new ATOM 0 HG SER A 47 6.546 -16.113 -7.508 1.00 0.00 H new ATOM 709 N GLU A 48 8.074 -14.489 -3.858 1.00 0.00 N ATOM 710 CA GLU A 48 8.067 -13.237 -3.037 1.00 0.00 C ATOM 711 C GLU A 48 8.819 -12.007 -3.759 1.00 0.00 C ATOM 712 O GLU A 48 8.398 -10.859 -3.687 1.00 0.00 O ATOM 713 CB GLU A 48 8.869 -13.617 -1.807 1.00 0.00 C ATOM 714 CG GLU A 48 8.293 -14.792 -1.053 1.00 0.00 C ATOM 715 CD GLU A 48 9.194 -15.271 0.051 1.00 0.00 C ATOM 716 OE1 GLU A 48 10.312 -15.746 -0.245 1.00 0.00 O ATOM 717 OE2 GLU A 48 8.787 -15.221 1.223 1.00 0.00 O ATOM 0 H GLU A 48 7.919 -15.339 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 48 7.046 -12.906 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.890 -13.853 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.924 -12.758 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.328 -14.511 -0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.111 -15.611 -1.749 1.00 0.00 H new ATOM 724 N GLN A 49 9.956 -12.345 -4.377 1.00 0.00 N ATOM 725 CA GLN A 49 10.711 -11.454 -5.301 1.00 0.00 C ATOM 726 C GLN A 49 9.730 -10.668 -6.252 1.00 0.00 C ATOM 727 O GLN A 49 9.756 -9.433 -6.353 1.00 0.00 O ATOM 728 CB GLN A 49 11.581 -12.366 -6.189 1.00 0.00 C ATOM 729 CG GLN A 49 12.484 -11.617 -7.153 1.00 0.00 C ATOM 730 CD GLN A 49 12.644 -12.297 -8.502 1.00 0.00 C ATOM 731 OE1 GLN A 49 11.578 -12.873 -9.016 1.00 0.00 O flip ATOM 732 NE2 GLN A 49 13.704 -12.214 -9.121 1.00 0.00 N flip ATOM 0 H GLN A 49 10.395 -13.258 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 49 11.296 -10.739 -4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.196 -12.998 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.929 -13.028 -6.759 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.083 -10.615 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.467 -11.500 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.511 -11.761 -8.692 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.776 -12.598 -10.063 1.00 0.00 H new ATOM 741 N LEU A 50 8.912 -11.455 -6.950 1.00 0.00 N ATOM 742 CA LEU A 50 7.844 -11.083 -7.825 1.00 0.00 C ATOM 743 C LEU A 50 6.949 -10.185 -7.057 1.00 0.00 C ATOM 744 O LEU A 50 6.813 -9.018 -7.405 1.00 0.00 O ATOM 745 CB LEU A 50 7.084 -12.376 -8.187 1.00 0.00 C ATOM 746 CG LEU A 50 5.862 -12.314 -9.097 1.00 0.00 C ATOM 747 CD1 LEU A 50 6.230 -11.891 -10.505 1.00 0.00 C ATOM 748 CD2 LEU A 50 5.153 -13.658 -9.112 1.00 0.00 C ATOM 0 H LEU A 50 9.006 -12.469 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 50 8.197 -10.586 -8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.800 -13.053 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.768 -12.839 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 50 5.186 -11.558 -8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.332 -11.859 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.688 -10.902 -10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.935 -12.607 -10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.282 -13.603 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.834 -14.425 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.833 -13.912 -8.101 1.00 0.00 H new ATOM 760 N LEU A 51 6.472 -10.716 -5.922 1.00 0.00 N ATOM 761 CA LEU A 51 5.452 -10.101 -5.058 1.00 0.00 C ATOM 762 C LEU A 51 5.712 -8.650 -4.736 1.00 0.00 C ATOM 763 O LEU A 51 4.797 -7.859 -4.626 1.00 0.00 O ATOM 764 CB LEU A 51 5.366 -10.822 -3.732 1.00 0.00 C ATOM 765 CG LEU A 51 4.162 -10.460 -2.888 1.00 0.00 C ATOM 766 CD1 LEU A 51 2.965 -11.279 -3.310 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.457 -10.551 -1.401 1.00 0.00 C ATOM 0 H LEU A 51 6.796 -11.616 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 51 4.529 -10.177 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.351 -11.896 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.270 -10.610 -3.160 1.00 0.00 H new ATOM 0 HG LEU A 51 3.917 -9.413 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.105 -11.010 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.739 -11.080 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.185 -12.339 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.564 -10.283 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.752 -11.570 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.266 -9.866 -1.148 1.00 0.00 H new ATOM 779 N TYR A 52 6.941 -8.293 -4.716 1.00 0.00 N ATOM 780 CA TYR A 52 7.407 -7.015 -4.268 1.00 0.00 C ATOM 781 C TYR A 52 7.306 -6.017 -5.359 1.00 0.00 C ATOM 782 O TYR A 52 6.815 -4.911 -5.178 1.00 0.00 O ATOM 783 CB TYR A 52 8.843 -7.221 -3.965 1.00 0.00 C ATOM 784 CG TYR A 52 9.589 -6.054 -3.326 1.00 0.00 C ATOM 785 CD1 TYR A 52 8.931 -4.923 -2.837 1.00 0.00 C ATOM 786 CD2 TYR A 52 10.964 -6.110 -3.189 1.00 0.00 C ATOM 787 CE1 TYR A 52 9.633 -3.898 -2.235 1.00 0.00 C ATOM 788 CE2 TYR A 52 11.671 -5.084 -2.593 1.00 0.00 C ATOM 789 CZ TYR A 52 10.997 -3.982 -2.118 1.00 0.00 C ATOM 790 OH TYR A 52 11.691 -2.943 -1.534 1.00 0.00 O ATOM 0 H TYR A 52 7.695 -8.907 -5.025 1.00 0.00 H new ATOM 0 HA TYR A 52 6.828 -6.655 -3.418 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.930 -8.082 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.352 -7.481 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.858 -4.849 -2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.497 -6.975 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.110 -3.032 -1.857 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.745 -5.146 -2.500 1.00 0.00 H new ATOM 0 HH TYR A 52 11.121 -2.501 -0.871 1.00 0.00 H new ATOM 800 N LEU A 53 7.738 -6.464 -6.499 1.00 0.00 N ATOM 801 CA LEU A 53 7.669 -5.510 -7.557 1.00 0.00 C ATOM 802 C LEU A 53 6.209 -5.382 -7.949 1.00 0.00 C ATOM 803 O LEU A 53 5.776 -4.356 -8.383 1.00 0.00 O ATOM 804 CB LEU A 53 8.654 -5.806 -8.716 1.00 0.00 C ATOM 805 CG LEU A 53 8.213 -6.713 -9.857 1.00 0.00 C ATOM 806 CD1 LEU A 53 7.355 -5.948 -10.859 1.00 0.00 C ATOM 807 CD2 LEU A 53 9.404 -7.344 -10.545 1.00 0.00 C ATOM 0 H LEU A 53 8.108 -7.391 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 53 8.020 -4.533 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.944 -4.850 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.552 -6.243 -8.279 1.00 0.00 H new ATOM 0 HG LEU A 53 7.608 -7.513 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.052 -6.617 -11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.469 -5.560 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.930 -5.119 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.058 -7.986 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.046 -6.562 -10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.967 -7.939 -9.826 1.00 0.00 H new ATOM 819 N LYS A 54 5.474 -6.464 -7.742 1.00 0.00 N ATOM 820 CA LYS A 54 4.052 -6.443 -8.057 1.00 0.00 C ATOM 821 C LYS A 54 3.292 -5.523 -7.183 1.00 0.00 C ATOM 822 O LYS A 54 2.705 -4.599 -7.641 1.00 0.00 O ATOM 823 CB LYS A 54 3.351 -7.736 -7.861 1.00 0.00 C ATOM 824 CG LYS A 54 4.089 -8.965 -8.179 1.00 0.00 C ATOM 825 CD LYS A 54 4.219 -9.181 -9.636 1.00 0.00 C ATOM 826 CE LYS A 54 5.231 -8.321 -10.326 1.00 0.00 C ATOM 827 NZ LYS A 54 5.265 -8.562 -11.793 1.00 0.00 N ATOM 0 H LYS A 54 5.825 -7.346 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 54 4.063 -6.148 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.037 -7.793 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.445 -7.722 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.082 -8.916 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.579 -9.818 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.477 -10.226 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.247 -9.011 -10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.003 -7.272 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.218 -8.514 -9.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.252 -8.566 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.826 -9.481 -12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.741 -7.808 -12.281 1.00 0.00 H new ATOM 841 N GLU A 55 3.385 -5.789 -5.916 1.00 0.00 N ATOM 842 CA GLU A 55 2.564 -5.083 -4.968 1.00 0.00 C ATOM 843 C GLU A 55 2.731 -3.606 -5.172 1.00 0.00 C ATOM 844 O GLU A 55 1.840 -2.896 -5.574 1.00 0.00 O ATOM 845 CB GLU A 55 2.971 -5.548 -3.566 1.00 0.00 C ATOM 846 CG GLU A 55 2.679 -4.627 -2.415 1.00 0.00 C ATOM 847 CD GLU A 55 1.209 -4.374 -2.166 1.00 0.00 C ATOM 848 OE1 GLU A 55 0.535 -3.847 -3.073 1.00 0.00 O ATOM 849 OE2 GLU A 55 0.738 -4.692 -1.057 1.00 0.00 O ATOM 0 H GLU A 55 4.014 -6.483 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 55 1.504 -5.296 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.474 -6.498 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.043 -5.744 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.120 -5.046 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.172 -3.672 -2.597 1.00 0.00 H new ATOM 856 N ILE A 56 3.916 -3.228 -5.093 1.00 0.00 N ATOM 857 CA ILE A 56 4.094 -1.806 -5.097 1.00 0.00 C ATOM 858 C ILE A 56 4.230 -1.200 -6.510 1.00 0.00 C ATOM 859 O ILE A 56 4.137 0.010 -6.672 1.00 0.00 O ATOM 860 CB ILE A 56 5.217 -1.360 -4.189 1.00 0.00 C ATOM 861 CG1 ILE A 56 6.461 -1.954 -4.768 1.00 0.00 C ATOM 862 CG2 ILE A 56 4.998 -1.882 -2.772 1.00 0.00 C ATOM 863 CD1 ILE A 56 7.707 -1.740 -3.956 1.00 0.00 C ATOM 0 H ILE A 56 4.751 -3.810 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 56 3.166 -1.406 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 56 5.274 -0.273 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.308 -3.026 -4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.617 -1.534 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.816 -1.551 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.055 -1.497 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.966 -2.971 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.554 -2.207 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.893 -0.671 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.579 -2.186 -2.970 1.00 0.00 H new ATOM 875 N SER A 57 4.439 -2.021 -7.510 1.00 0.00 N ATOM 876 CA SER A 57 4.479 -1.565 -8.880 1.00 0.00 C ATOM 877 C SER A 57 3.595 -2.523 -9.668 1.00 0.00 C ATOM 878 O SER A 57 4.057 -3.364 -10.439 1.00 0.00 O ATOM 879 CB SER A 57 5.920 -1.499 -9.424 1.00 0.00 C ATOM 880 OG SER A 57 6.004 -0.747 -10.633 1.00 0.00 O ATOM 0 H SER A 57 4.586 -3.024 -7.398 1.00 0.00 H new ATOM 0 HA SER A 57 4.109 -0.544 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.570 -1.050 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.287 -2.510 -9.600 1.00 0.00 H new ATOM 0 HG SER A 57 6.934 -0.729 -10.943 1.00 0.00 H new ATOM 886 N HIS A 58 2.314 -2.321 -9.446 1.00 0.00 N ATOM 887 CA HIS A 58 1.175 -3.125 -9.828 1.00 0.00 C ATOM 888 C HIS A 58 0.019 -2.804 -8.882 1.00 0.00 C ATOM 889 O HIS A 58 -0.716 -1.866 -9.184 1.00 0.00 O ATOM 890 CB HIS A 58 1.438 -4.639 -10.109 1.00 0.00 C ATOM 891 CG HIS A 58 0.317 -5.593 -9.837 1.00 0.00 C ATOM 892 ND1 HIS A 58 0.356 -6.390 -8.730 1.00 0.00 N ATOM 893 CD2 HIS A 58 -0.819 -5.836 -10.520 1.00 0.00 C ATOM 894 CE1 HIS A 58 -0.740 -7.098 -8.741 1.00 0.00 C ATOM 895 NE2 HIS A 58 -1.488 -6.804 -9.812 1.00 0.00 N ATOM 0 H HIS A 58 2.013 -1.492 -8.934 1.00 0.00 H new ATOM 0 HA HIS A 58 0.888 -2.834 -10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.723 -4.743 -11.156 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.296 -4.949 -9.513 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.138 -5.365 -11.438 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.008 -7.824 -7.987 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -2.386 -7.221 -10.056 1.00 0.00 H new ATOM 903 N ALA A 59 -0.140 -3.379 -7.690 1.00 0.00 N ATOM 904 CA ALA A 59 -1.292 -3.325 -6.824 1.00 0.00 C ATOM 905 C ALA A 59 -1.381 -2.045 -6.037 1.00 0.00 C ATOM 906 O ALA A 59 -2.283 -1.214 -6.277 1.00 0.00 O ATOM 907 CB ALA A 59 -1.177 -4.474 -5.862 1.00 0.00 C ATOM 0 H ALA A 59 0.606 -3.941 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.188 -3.378 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.032 -4.470 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.157 -5.412 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.258 -4.375 -5.285 1.00 0.00 H new ATOM 913 N LEU A 60 -0.450 -1.886 -5.102 1.00 0.00 N ATOM 914 CA LEU A 60 -0.380 -0.754 -4.233 1.00 0.00 C ATOM 915 C LEU A 60 -0.352 0.480 -5.053 1.00 0.00 C ATOM 916 O LEU A 60 -1.144 1.353 -4.851 1.00 0.00 O ATOM 917 CB LEU A 60 0.849 -0.826 -3.338 1.00 0.00 C ATOM 918 CG LEU A 60 0.829 0.088 -2.128 1.00 0.00 C ATOM 919 CD1 LEU A 60 -0.377 -0.256 -1.241 1.00 0.00 C ATOM 920 CD2 LEU A 60 2.111 -0.068 -1.323 1.00 0.00 C ATOM 0 H LEU A 60 0.289 -2.569 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.257 -0.746 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.967 -1.853 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.728 -0.588 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 60 0.751 1.120 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.389 0.402 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.297 -0.123 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.302 -1.292 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.081 0.595 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.206 -1.100 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.966 0.190 -1.948 1.00 0.00 H new ATOM 932 N LYS A 61 0.441 0.455 -6.089 1.00 0.00 N ATOM 933 CA LYS A 61 0.590 1.646 -6.891 1.00 0.00 C ATOM 934 C LYS A 61 -0.695 2.005 -7.679 1.00 0.00 C ATOM 935 O LYS A 61 -0.903 3.171 -8.012 1.00 0.00 O ATOM 936 CB LYS A 61 1.764 1.548 -7.825 1.00 0.00 C ATOM 937 CG LYS A 61 2.243 2.912 -8.288 1.00 0.00 C ATOM 938 CD LYS A 61 2.990 2.835 -9.592 1.00 0.00 C ATOM 939 CE LYS A 61 2.052 2.356 -10.675 1.00 0.00 C ATOM 940 NZ LYS A 61 2.651 2.469 -12.022 1.00 0.00 N ATOM 0 H LYS A 61 0.983 -0.353 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 61 0.776 2.455 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.581 1.028 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.487 0.948 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.387 3.578 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.889 3.347 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.394 3.813 -9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.836 2.154 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.781 1.317 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.131 2.937 -10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.973 2.129 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.886 3.463 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.516 1.894 -12.067 1.00 0.00 H new ATOM 954 N SER A 62 -1.612 1.052 -7.885 1.00 0.00 N ATOM 955 CA SER A 62 -2.848 1.342 -8.597 1.00 0.00 C ATOM 956 C SER A 62 -3.834 2.004 -7.668 1.00 0.00 C ATOM 957 O SER A 62 -4.349 3.122 -7.900 1.00 0.00 O ATOM 958 CB SER A 62 -3.469 0.065 -9.177 1.00 0.00 C ATOM 959 OG SER A 62 -2.645 -0.482 -10.197 1.00 0.00 O ATOM 0 H SER A 62 -1.518 0.086 -7.570 1.00 0.00 H new ATOM 0 HA SER A 62 -2.610 2.014 -9.422 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.608 -0.669 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.456 0.287 -9.582 1.00 0.00 H new ATOM 0 HG SER A 62 -2.099 -1.205 -9.824 1.00 0.00 H new ATOM 965 N SER A 63 -3.994 1.372 -6.556 1.00 0.00 N ATOM 966 CA SER A 63 -4.976 1.741 -5.646 1.00 0.00 C ATOM 967 C SER A 63 -4.473 2.956 -4.892 1.00 0.00 C ATOM 968 O SER A 63 -5.240 3.814 -4.596 1.00 0.00 O ATOM 969 CB SER A 63 -5.245 0.539 -4.753 1.00 0.00 C ATOM 970 OG SER A 63 -6.543 0.584 -4.193 1.00 0.00 O ATOM 0 H SER A 63 -3.428 0.575 -6.266 1.00 0.00 H new ATOM 0 HA SER A 63 -5.919 2.019 -6.116 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.130 -0.377 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.505 0.506 -3.954 1.00 0.00 H new ATOM 0 HG SER A 63 -6.488 0.895 -3.265 1.00 0.00 H new ATOM 976 N ALA A 64 -3.159 3.026 -4.657 1.00 0.00 N ATOM 977 CA ALA A 64 -2.555 4.170 -3.956 1.00 0.00 C ATOM 978 C ALA A 64 -2.789 5.448 -4.713 1.00 0.00 C ATOM 979 O ALA A 64 -3.148 6.425 -4.145 1.00 0.00 O ATOM 980 CB ALA A 64 -1.064 4.003 -3.730 1.00 0.00 C ATOM 0 H ALA A 64 -2.492 2.308 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.043 4.214 -2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.675 4.878 -3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.885 3.112 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.560 3.899 -4.691 1.00 0.00 H new ATOM 986 N ALA A 65 -2.693 5.402 -6.019 1.00 0.00 N ATOM 987 CA ALA A 65 -2.866 6.580 -6.858 1.00 0.00 C ATOM 988 C ALA A 65 -4.273 7.124 -6.648 1.00 0.00 C ATOM 989 O ALA A 65 -4.544 8.313 -6.824 1.00 0.00 O ATOM 990 CB ALA A 65 -2.638 6.215 -8.320 1.00 0.00 C ATOM 0 H ALA A 65 -2.492 4.548 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.140 7.346 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.769 7.101 -8.941 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.626 5.831 -8.445 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.356 5.452 -8.621 1.00 0.00 H new ATOM 996 N SER A 66 -5.170 6.224 -6.284 1.00 0.00 N ATOM 997 CA SER A 66 -6.489 6.611 -5.886 1.00 0.00 C ATOM 998 C SER A 66 -6.583 6.865 -4.351 1.00 0.00 C ATOM 999 O SER A 66 -6.945 7.956 -3.935 1.00 0.00 O ATOM 1000 CB SER A 66 -7.489 5.542 -6.326 1.00 0.00 C ATOM 1001 OG SER A 66 -7.378 5.304 -7.727 1.00 0.00 O ATOM 0 H SER A 66 -4.996 5.219 -6.260 1.00 0.00 H new ATOM 0 HA SER A 66 -6.731 7.554 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.307 4.617 -5.778 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.503 5.862 -6.084 1.00 0.00 H new ATOM 0 HG SER A 66 -8.023 4.616 -7.994 1.00 0.00 H new ATOM 1007 N PHE A 67 -6.191 5.901 -3.509 1.00 0.00 N ATOM 1008 CA PHE A 67 -6.505 5.963 -2.056 1.00 0.00 C ATOM 1009 C PHE A 67 -5.401 6.548 -1.170 1.00 0.00 C ATOM 1010 O PHE A 67 -5.543 6.634 0.053 1.00 0.00 O ATOM 1011 CB PHE A 67 -6.915 4.561 -1.514 1.00 0.00 C ATOM 1012 CG PHE A 67 -5.888 3.433 -1.433 1.00 0.00 C ATOM 1013 CD1 PHE A 67 -4.528 3.654 -1.276 1.00 0.00 C ATOM 1014 CD2 PHE A 67 -6.324 2.131 -1.464 1.00 0.00 C ATOM 1015 CE1 PHE A 67 -3.640 2.607 -1.172 1.00 0.00 C ATOM 1016 CE2 PHE A 67 -5.447 1.075 -1.351 1.00 0.00 C ATOM 1017 CZ PHE A 67 -4.102 1.312 -1.209 1.00 0.00 C ATOM 0 H PHE A 67 -5.663 5.076 -3.792 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.340 6.661 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.313 4.707 -0.510 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.738 4.204 -2.134 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.158 4.668 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.379 1.931 -1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.583 2.802 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.817 0.061 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.411 0.486 -1.127 1.00 0.00 H new ATOM 1027 N GLY A 68 -4.344 6.939 -1.787 1.00 0.00 N ATOM 1028 CA GLY A 68 -3.149 7.308 -1.073 1.00 0.00 C ATOM 1029 C GLY A 68 -2.177 7.943 -1.998 1.00 0.00 C ATOM 1030 O GLY A 68 -1.001 7.589 -2.061 1.00 0.00 O ATOM 0 H GLY A 68 -4.271 7.016 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.397 7.996 -0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.703 6.425 -0.614 1.00 0.00 H new ATOM 1034 N ALA A 69 -2.723 8.853 -2.764 1.00 0.00 N ATOM 1035 CA ALA A 69 -1.928 9.615 -3.729 1.00 0.00 C ATOM 1036 C ALA A 69 -0.969 10.602 -2.989 1.00 0.00 C ATOM 1037 O ALA A 69 -0.545 11.626 -3.542 1.00 0.00 O ATOM 1038 CB ALA A 69 -2.866 10.385 -4.648 1.00 0.00 C ATOM 0 H ALA A 69 -3.714 9.094 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.321 8.928 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.281 10.955 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.513 9.685 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.477 11.067 -4.056 1.00 0.00 H new ATOM 1044 N ASP A 70 -0.609 10.239 -1.768 1.00 0.00 N ATOM 1045 CA ASP A 70 0.139 11.005 -0.823 1.00 0.00 C ATOM 1046 C ASP A 70 1.503 10.327 -0.717 1.00 0.00 C ATOM 1047 O ASP A 70 2.069 9.851 -1.713 1.00 0.00 O ATOM 1048 CB ASP A 70 -0.596 10.928 0.533 1.00 0.00 C ATOM 1049 CG ASP A 70 -0.692 9.501 1.091 1.00 0.00 C ATOM 1050 OD1 ASP A 70 -1.637 8.823 0.780 1.00 0.00 O ATOM 1051 OD2 ASP A 70 0.193 9.077 1.862 1.00 0.00 O ATOM 0 H ASP A 70 -0.861 9.323 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 70 0.247 12.050 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.078 11.559 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.601 11.334 0.417 1.00 0.00 H new ATOM 1056 N ARG A 71 2.017 10.232 0.472 1.00 0.00 N ATOM 1057 CA ARG A 71 3.193 9.662 0.985 1.00 0.00 C ATOM 1058 C ARG A 71 3.257 8.177 0.778 1.00 0.00 C ATOM 1059 O ARG A 71 4.235 7.703 0.299 1.00 0.00 O ATOM 1060 CB ARG A 71 3.175 9.907 2.485 1.00 0.00 C ATOM 1061 CG ARG A 71 3.423 11.333 2.931 1.00 0.00 C ATOM 1062 CD ARG A 71 2.311 12.309 2.574 1.00 0.00 C ATOM 1063 NE ARG A 71 2.590 13.655 3.072 1.00 0.00 N ATOM 1064 CZ ARG A 71 2.548 14.786 2.359 1.00 0.00 C ATOM 1065 NH1 ARG A 71 2.355 14.748 1.043 1.00 0.00 N ATOM 1066 NH2 ARG A 71 2.726 15.951 2.965 1.00 0.00 N ATOM 0 H ARG A 71 1.495 10.645 1.245 1.00 0.00 H new ATOM 0 HA ARG A 71 4.046 10.108 0.474 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.207 9.590 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.928 9.268 2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.564 11.343 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.354 11.683 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.188 12.340 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.368 11.955 2.992 1.00 0.00 H new ATOM 0 HE ARG A 71 2.841 13.740 4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.238 13.852 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.324 15.615 0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.894 15.982 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.695 16.816 2.426 1.00 0.00 H new ATOM 1080 N LEU A 72 2.241 7.424 1.137 1.00 0.00 N ATOM 1081 CA LEU A 72 2.342 5.953 0.992 1.00 0.00 C ATOM 1082 C LEU A 72 2.666 5.595 -0.473 1.00 0.00 C ATOM 1083 O LEU A 72 3.350 4.642 -0.783 1.00 0.00 O ATOM 1084 CB LEU A 72 1.061 5.266 1.517 1.00 0.00 C ATOM 1085 CG LEU A 72 -0.262 5.556 0.788 1.00 0.00 C ATOM 1086 CD1 LEU A 72 -0.437 4.657 -0.423 1.00 0.00 C ATOM 1087 CD2 LEU A 72 -1.431 5.414 1.729 1.00 0.00 C ATOM 0 H LEU A 72 1.360 7.769 1.519 1.00 0.00 H new ATOM 0 HA LEU A 72 3.162 5.576 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.226 4.189 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.935 5.547 2.563 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.226 6.586 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.382 4.889 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.385 4.822 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.439 3.614 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.357 5.623 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.461 4.398 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.322 6.118 2.554 1.00 0.00 H new ATOM 1099 N CYS A 73 2.236 6.492 -1.304 1.00 0.00 N ATOM 1100 CA CYS A 73 2.466 6.208 -2.714 1.00 0.00 C ATOM 1101 C CYS A 73 3.960 6.329 -3.095 1.00 0.00 C ATOM 1102 O CYS A 73 4.578 5.365 -3.556 1.00 0.00 O ATOM 1103 CB CYS A 73 1.519 6.964 -3.654 1.00 0.00 C ATOM 1104 SG CYS A 73 1.828 6.743 -5.424 1.00 0.00 S ATOM 0 H CYS A 73 1.760 7.364 -1.075 1.00 0.00 H new ATOM 0 HA CYS A 73 2.205 5.160 -2.863 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.497 6.650 -3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.580 8.028 -3.423 1.00 0.00 H new ATOM 0 HG CYS A 73 0.960 7.431 -6.105 1.00 0.00 H new ATOM 1110 N GLU A 74 4.589 7.430 -2.768 1.00 0.00 N ATOM 1111 CA GLU A 74 5.975 7.623 -3.232 1.00 0.00 C ATOM 1112 C GLU A 74 6.950 7.505 -2.076 1.00 0.00 C ATOM 1113 O GLU A 74 8.057 6.983 -2.200 1.00 0.00 O ATOM 1114 CB GLU A 74 6.122 8.973 -3.953 1.00 0.00 C ATOM 1115 CG GLU A 74 7.514 9.251 -4.508 1.00 0.00 C ATOM 1116 CD GLU A 74 7.870 8.357 -5.672 1.00 0.00 C ATOM 1117 OE1 GLU A 74 7.830 7.124 -5.533 1.00 0.00 O ATOM 1118 OE2 GLU A 74 8.217 8.880 -6.755 1.00 0.00 O ATOM 0 H GLU A 74 4.200 8.188 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 74 6.212 6.835 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.405 9.012 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.856 9.771 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.572 10.292 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.250 9.117 -3.715 1.00 0.00 H new ATOM 1125 N ARG A 75 6.499 7.941 -0.938 1.00 0.00 N ATOM 1126 CA ARG A 75 7.303 7.921 0.253 1.00 0.00 C ATOM 1127 C ARG A 75 7.423 6.454 0.696 1.00 0.00 C ATOM 1128 O ARG A 75 8.316 6.094 1.418 1.00 0.00 O ATOM 1129 CB ARG A 75 6.637 8.847 1.319 1.00 0.00 C ATOM 1130 CG ARG A 75 6.973 8.647 2.803 1.00 0.00 C ATOM 1131 CD ARG A 75 6.315 7.391 3.361 1.00 0.00 C ATOM 1132 NE ARG A 75 6.756 7.012 4.703 1.00 0.00 N ATOM 1133 CZ ARG A 75 7.256 5.798 4.977 1.00 0.00 C ATOM 1134 NH1 ARG A 75 7.741 5.057 3.980 1.00 0.00 N ATOM 1135 NH2 ARG A 75 7.360 5.373 6.234 1.00 0.00 N ATOM 0 H ARG A 75 5.562 8.322 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 75 8.310 8.306 0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.889 9.876 1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.557 8.746 1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.054 8.578 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.642 9.516 3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.235 7.540 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.512 6.562 2.681 1.00 0.00 H new ATOM 0 HE ARG A 75 6.681 7.695 5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.728 5.416 3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.125 4.132 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.058 5.973 7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.742 4.448 6.430 1.00 0.00 H new ATOM 1149 N ALA A 76 6.522 5.588 0.299 1.00 0.00 N ATOM 1150 CA ALA A 76 6.768 4.222 0.660 1.00 0.00 C ATOM 1151 C ALA A 76 7.666 3.658 -0.400 1.00 0.00 C ATOM 1152 O ALA A 76 8.789 3.377 -0.145 1.00 0.00 O ATOM 1153 CB ALA A 76 5.492 3.427 0.799 1.00 0.00 C ATOM 0 H ALA A 76 5.675 5.784 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 76 7.241 4.166 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.731 2.400 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.868 3.873 1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.954 3.433 -0.149 1.00 0.00 H new ATOM 1159 N ILE A 77 7.176 3.737 -1.606 1.00 0.00 N ATOM 1160 CA ILE A 77 7.902 3.079 -2.713 1.00 0.00 C ATOM 1161 C ILE A 77 9.433 3.315 -2.752 1.00 0.00 C ATOM 1162 O ILE A 77 10.255 2.354 -2.625 1.00 0.00 O ATOM 1163 CB ILE A 77 7.205 3.238 -4.092 1.00 0.00 C ATOM 1164 CG1 ILE A 77 5.960 2.335 -4.168 1.00 0.00 C ATOM 1165 CG2 ILE A 77 8.151 2.818 -5.215 1.00 0.00 C ATOM 1166 CD1 ILE A 77 5.042 2.399 -2.969 1.00 0.00 C ATOM 0 H ILE A 77 6.317 4.222 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 77 7.829 2.020 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 77 6.923 4.285 -4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.389 2.605 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.287 1.304 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.650 2.934 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.043 3.444 -5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.437 1.775 -5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.197 1.728 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.589 2.097 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.677 3.419 -2.844 1.00 0.00 H new ATOM 1178 N ALA A 78 9.822 4.551 -2.588 1.00 0.00 N ATOM 1179 CA ALA A 78 11.164 4.981 -2.793 1.00 0.00 C ATOM 1180 C ALA A 78 11.826 5.135 -1.447 1.00 0.00 C ATOM 1181 O ALA A 78 13.000 4.820 -1.286 1.00 0.00 O ATOM 1182 CB ALA A 78 11.188 6.297 -3.557 1.00 0.00 C ATOM 0 H ALA A 78 9.192 5.300 -2.301 1.00 0.00 H new ATOM 0 HA ALA A 78 11.705 4.243 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.221 6.613 -3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.706 6.164 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.655 7.058 -2.988 1.00 0.00 H new ATOM 1188 N ILE A 79 11.009 5.505 -0.454 1.00 0.00 N ATOM 1189 CA ILE A 79 11.496 5.907 0.849 1.00 0.00 C ATOM 1190 C ILE A 79 11.417 4.765 1.862 1.00 0.00 C ATOM 1191 O ILE A 79 12.090 4.780 2.934 1.00 0.00 O ATOM 1192 CB ILE A 79 10.776 7.187 1.272 1.00 0.00 C ATOM 1193 CG1 ILE A 79 10.946 8.215 0.150 1.00 0.00 C ATOM 1194 CG2 ILE A 79 11.249 7.734 2.617 1.00 0.00 C ATOM 1195 CD1 ILE A 79 12.365 8.717 -0.064 1.00 0.00 C ATOM 0 H ILE A 79 9.993 5.530 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 79 12.560 6.139 0.800 1.00 0.00 H new ATOM 0 HB ILE A 79 9.721 6.960 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.590 7.774 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.304 9.070 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.696 8.643 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.075 6.990 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.314 7.961 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.376 9.440 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.724 9.194 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.014 7.878 -0.314 1.00 0.00 H new ATOM 1207 N ASP A 80 11.024 3.631 1.325 1.00 0.00 N ATOM 1208 CA ASP A 80 10.993 2.407 2.009 1.00 0.00 C ATOM 1209 C ASP A 80 12.183 1.782 1.718 1.00 0.00 C ATOM 1210 O ASP A 80 13.060 1.834 2.579 1.00 0.00 O ATOM 1211 CB ASP A 80 9.831 1.466 1.638 1.00 0.00 C ATOM 1212 CG ASP A 80 8.628 1.582 2.542 1.00 0.00 C ATOM 1213 OD1 ASP A 80 8.351 2.673 3.086 1.00 0.00 O ATOM 1214 OD2 ASP A 80 7.964 0.565 2.785 1.00 0.00 O ATOM 0 H ASP A 80 10.709 3.560 0.358 1.00 0.00 H new ATOM 0 HA ASP A 80 10.843 2.624 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.523 1.674 0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.190 0.437 1.660 1.00 0.00 H new ATOM 1219 N LYS A 81 12.279 1.368 0.424 1.00 0.00 N ATOM 1220 CA LYS A 81 13.366 0.560 -0.008 1.00 0.00 C ATOM 1221 C LYS A 81 14.650 1.093 0.629 1.00 0.00 C ATOM 1222 O LYS A 81 15.191 0.439 1.533 1.00 0.00 O ATOM 1223 CB LYS A 81 13.364 0.419 -1.558 1.00 0.00 C ATOM 1224 CG LYS A 81 13.704 1.664 -2.368 1.00 0.00 C ATOM 1225 CD LYS A 81 13.484 1.442 -3.851 1.00 0.00 C ATOM 1226 CE LYS A 81 13.962 2.642 -4.650 1.00 0.00 C ATOM 1227 NZ LYS A 81 13.750 2.476 -6.108 1.00 0.00 N ATOM 0 H LYS A 81 11.603 1.598 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 81 13.274 -0.470 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.073 -0.364 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.377 0.075 -1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.090 2.498 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.743 1.941 -2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.018 0.548 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.426 1.268 -4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.436 3.534 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.022 2.804 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.093 3.322 -6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 14.273 1.641 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.736 2.349 -6.299 1.00 0.00 H new ATOM 1241 N LYS A 82 15.015 2.338 0.267 1.00 0.00 N ATOM 1242 CA LYS A 82 16.163 3.044 0.845 1.00 0.00 C ATOM 1243 C LYS A 82 16.452 2.815 2.311 1.00 0.00 C ATOM 1244 O LYS A 82 17.416 2.101 2.650 1.00 0.00 O ATOM 1245 CB LYS A 82 16.210 4.519 0.433 1.00 0.00 C ATOM 1246 CG LYS A 82 14.995 5.345 0.809 1.00 0.00 C ATOM 1247 CD LYS A 82 15.050 5.995 2.183 1.00 0.00 C ATOM 1248 CE LYS A 82 16.316 6.801 2.367 1.00 0.00 C ATOM 1249 NZ LYS A 82 16.288 7.658 3.575 1.00 0.00 N ATOM 0 H LYS A 82 14.516 2.880 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 82 17.013 2.544 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.091 4.976 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.342 4.571 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.862 6.126 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.113 4.706 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.183 6.643 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.993 5.225 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.166 6.122 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.472 7.427 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.983 8.425 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.338 8.064 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.524 7.087 4.411 1.00 0.00 H new ATOM 1263 N ALA A 83 15.589 3.098 3.230 1.00 0.00 N ATOM 1264 CA ALA A 83 16.103 3.076 4.559 1.00 0.00 C ATOM 1265 C ALA A 83 15.114 2.595 5.441 1.00 0.00 C ATOM 1266 O ALA A 83 15.440 1.964 6.365 1.00 0.00 O ATOM 1267 CB ALA A 83 16.601 4.429 5.022 1.00 0.00 C ATOM 0 H ALA A 83 14.603 3.330 3.106 1.00 0.00 H new ATOM 0 HA ALA A 83 16.965 2.409 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.980 4.348 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.401 4.767 4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.781 5.147 4.996 1.00 0.00 H new ATOM 1273 N LYS A 84 13.903 2.983 5.205 1.00 0.00 N ATOM 1274 CA LYS A 84 12.887 2.386 5.988 1.00 0.00 C ATOM 1275 C LYS A 84 13.006 0.843 5.855 1.00 0.00 C ATOM 1276 O LYS A 84 12.905 0.137 6.853 1.00 0.00 O ATOM 1277 CB LYS A 84 11.520 2.960 5.586 1.00 0.00 C ATOM 1278 CG LYS A 84 10.492 1.945 5.164 1.00 0.00 C ATOM 1279 CD LYS A 84 9.932 1.155 6.338 1.00 0.00 C ATOM 1280 CE LYS A 84 8.918 0.117 5.892 1.00 0.00 C ATOM 1281 NZ LYS A 84 7.667 0.714 5.364 1.00 0.00 N ATOM 0 H LYS A 84 13.608 3.673 4.514 1.00 0.00 H new ATOM 0 HA LYS A 84 12.999 2.619 7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.122 3.527 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.667 3.665 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.676 2.452 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.940 1.256 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.748 0.661 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.463 1.839 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.366 -0.512 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.677 -0.532 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.863 0.409 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.740 1.751 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.520 0.401 4.383 1.00 0.00 H new ATOM 1295 N ALA A 85 13.322 0.328 4.655 1.00 0.00 N ATOM 1296 CA ALA A 85 13.405 -1.091 4.501 1.00 0.00 C ATOM 1297 C ALA A 85 14.757 -1.613 4.926 1.00 0.00 C ATOM 1298 O ALA A 85 14.829 -2.691 5.567 1.00 0.00 O ATOM 1299 CB ALA A 85 13.113 -1.473 3.070 1.00 0.00 C ATOM 0 H ALA A 85 13.515 0.873 3.815 1.00 0.00 H new ATOM 0 HA ALA A 85 12.658 -1.548 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.178 -2.556 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.110 -1.142 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.840 -0.998 2.411 1.00 0.00 H new ATOM 1305 N ASN A 86 15.834 -0.843 4.696 1.00 0.00 N ATOM 1306 CA ASN A 86 17.100 -1.322 5.208 1.00 0.00 C ATOM 1307 C ASN A 86 17.267 -1.087 6.690 1.00 0.00 C ATOM 1308 O ASN A 86 18.192 -1.615 7.302 1.00 0.00 O ATOM 1309 CB ASN A 86 18.268 -0.732 4.472 1.00 0.00 C ATOM 1310 CG ASN A 86 18.447 -1.296 3.072 1.00 0.00 C ATOM 1311 OD1 ASN A 86 19.246 -2.334 2.945 1.00 0.00 O flip ATOM 1312 ND2 ASN A 86 17.888 -0.794 2.109 1.00 0.00 N flip ATOM 0 H ASN A 86 15.848 0.046 4.196 1.00 0.00 H new ATOM 0 HA ASN A 86 17.083 -2.399 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.139 0.348 4.407 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.177 -0.910 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.274 0.010 2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 86 18.035 -1.179 1.176 1.00 0.00 H new ATOM 1319 N GLN A 87 16.414 -0.274 7.264 1.00 0.00 N ATOM 1320 CA GLN A 87 16.488 -0.020 8.672 1.00 0.00 C ATOM 1321 C GLN A 87 15.803 -1.117 9.406 1.00 0.00 C ATOM 1322 O GLN A 87 16.242 -1.471 10.497 1.00 0.00 O ATOM 1323 CB GLN A 87 15.876 1.336 9.046 1.00 0.00 C ATOM 1324 CG GLN A 87 16.313 1.904 10.383 1.00 0.00 C ATOM 1325 CD GLN A 87 15.313 1.735 11.536 1.00 0.00 C ATOM 1326 OE1 GLN A 87 14.547 0.671 11.552 1.00 0.00 O flip ATOM 1327 NE2 GLN A 87 15.261 2.569 12.440 1.00 0.00 N flip ATOM 0 H GLN A 87 15.666 0.218 6.776 1.00 0.00 H new ATOM 0 HA GLN A 87 17.540 0.016 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.126 2.055 8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.791 1.236 9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.252 1.431 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.517 2.967 10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 87 15.864 3.391 12.411 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.614 2.438 13.218 1.00 0.00 H new ATOM 1336 N LEU A 88 14.712 -1.681 8.850 1.00 0.00 N ATOM 1337 CA LEU A 88 13.910 -2.752 9.409 1.00 0.00 C ATOM 1338 C LEU A 88 14.806 -3.887 9.805 1.00 0.00 C ATOM 1339 O LEU A 88 15.070 -4.141 10.982 1.00 0.00 O ATOM 1340 CB LEU A 88 12.865 -3.272 8.345 1.00 0.00 C ATOM 1341 CG LEU A 88 11.738 -2.333 7.928 1.00 0.00 C ATOM 1342 CD1 LEU A 88 10.737 -3.076 7.061 1.00 0.00 C ATOM 1343 CD2 LEU A 88 11.053 -1.690 9.130 1.00 0.00 C ATOM 0 H LEU A 88 14.358 -1.372 7.945 1.00 0.00 H new ATOM 0 HA LEU A 88 13.375 -2.372 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.415 -3.553 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 88 12.412 -4.182 8.739 1.00 0.00 H new ATOM 0 HG LEU A 88 12.176 -1.522 7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.936 -2.398 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.238 -3.453 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.318 -3.911 7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.257 -1.030 8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.629 -2.467 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.782 -1.113 9.699 1.00 0.00 H new ATOM 1355 N GLN A 89 15.251 -4.558 8.808 1.00 0.00 N ATOM 1356 CA GLN A 89 16.114 -5.691 8.880 1.00 0.00 C ATOM 1357 C GLN A 89 17.545 -5.245 8.728 1.00 0.00 C ATOM 1358 O GLN A 89 17.816 -4.266 8.045 1.00 0.00 O ATOM 1359 CB GLN A 89 15.765 -6.550 7.704 1.00 0.00 C ATOM 1360 CG GLN A 89 15.738 -5.765 6.427 1.00 0.00 C ATOM 1361 CD GLN A 89 15.258 -6.564 5.304 1.00 0.00 C ATOM 1362 OE1 GLN A 89 16.029 -7.220 4.670 1.00 0.00 O ATOM 1363 NE2 GLN A 89 14.003 -6.461 5.012 1.00 0.00 N ATOM 0 H GLN A 89 15.007 -4.317 7.847 1.00 0.00 H new ATOM 0 HA GLN A 89 16.001 -6.215 9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.490 -7.359 7.618 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.791 -7.011 7.867 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.097 -4.892 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.740 -5.396 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.390 -5.886 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.625 -6.955 4.204 1.00 0.00 H new ATOM 1372 N GLU A 90 18.469 -5.929 9.356 1.00 0.00 N ATOM 1373 CA GLU A 90 19.878 -5.647 9.174 1.00 0.00 C ATOM 1374 C GLU A 90 20.361 -6.503 7.991 1.00 0.00 C ATOM 1375 O GLU A 90 21.530 -6.468 7.604 1.00 0.00 O ATOM 1376 CB GLU A 90 20.620 -6.044 10.448 1.00 0.00 C ATOM 1377 CG GLU A 90 20.238 -5.194 11.639 1.00 0.00 C ATOM 1378 CD GLU A 90 20.482 -5.874 12.960 1.00 0.00 C ATOM 1379 OE1 GLU A 90 21.645 -6.119 13.336 1.00 0.00 O ATOM 1380 OE2 GLU A 90 19.491 -6.171 13.657 1.00 0.00 O ATOM 0 H GLU A 90 18.272 -6.692 10.004 1.00 0.00 H new ATOM 0 HA GLU A 90 20.058 -4.591 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 90 20.412 -7.090 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 90 21.694 -5.962 10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 90 20.803 -4.263 11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 90 19.183 -4.929 11.564 1.00 0.00 H new ATOM 1387 N GLN A 91 19.413 -7.259 7.426 1.00 0.00 N ATOM 1388 CA GLN A 91 19.626 -8.182 6.337 1.00 0.00 C ATOM 1389 C GLN A 91 19.601 -7.465 4.987 1.00 0.00 C ATOM 1390 O GLN A 91 19.929 -8.054 3.961 1.00 0.00 O ATOM 1391 CB GLN A 91 18.574 -9.303 6.369 1.00 0.00 C ATOM 1392 CG GLN A 91 18.675 -10.311 7.528 1.00 0.00 C ATOM 1393 CD GLN A 91 18.498 -9.736 8.931 1.00 0.00 C ATOM 1394 OE1 GLN A 91 17.786 -8.751 9.146 1.00 0.00 O ATOM 1395 NE2 GLN A 91 19.151 -10.341 9.897 1.00 0.00 N ATOM 0 H GLN A 91 18.442 -7.234 7.737 1.00 0.00 H new ATOM 0 HA GLN A 91 20.614 -8.624 6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.587 -8.843 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.636 -9.855 5.431 1.00 0.00 H new ATOM 0 HG2 GLN A 91 17.923 -11.085 7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.649 -10.798 7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.732 -11.153 9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 91 19.077 -9.999 10.855 1.00 0.00 H new ATOM 1404 N GLY A 92 19.239 -6.192 4.997 1.00 0.00 N ATOM 1405 CA GLY A 92 19.285 -5.395 3.794 1.00 0.00 C ATOM 1406 C GLY A 92 18.245 -5.674 2.723 1.00 0.00 C ATOM 1407 O GLY A 92 18.624 -6.095 1.640 1.00 0.00 O ATOM 0 H GLY A 92 18.912 -5.695 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.197 -4.347 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.270 -5.521 3.346 1.00 0.00 H new ATOM 1411 N MET A 93 16.957 -5.364 2.996 1.00 0.00 N ATOM 1412 CA MET A 93 15.835 -5.436 2.042 1.00 0.00 C ATOM 1413 C MET A 93 15.875 -6.701 1.201 1.00 0.00 C ATOM 1414 O MET A 93 16.267 -6.704 0.026 1.00 0.00 O ATOM 1415 CB MET A 93 15.543 -4.144 1.242 1.00 0.00 C ATOM 1416 CG MET A 93 16.682 -3.634 0.364 1.00 0.00 C ATOM 1417 SD MET A 93 16.200 -2.283 -0.741 1.00 0.00 S ATOM 1418 CE MET A 93 15.028 -3.120 -1.809 1.00 0.00 C ATOM 0 H MET A 93 16.664 -5.046 3.920 1.00 0.00 H new ATOM 0 HA MET A 93 14.947 -5.512 2.670 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.673 -4.320 0.610 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.272 -3.357 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.498 -3.296 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.067 -4.461 -0.233 1.00 0.00 H new ATOM 0 HE1 MET A 93 14.749 -2.460 -2.630 1.00 0.00 H new ATOM 0 HE2 MET A 93 15.483 -4.026 -2.210 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.138 -3.384 -1.237 1.00 0.00 H new ATOM 1428 N GLU A 94 15.487 -7.781 1.823 1.00 0.00 N ATOM 1429 CA GLU A 94 15.644 -9.076 1.242 1.00 0.00 C ATOM 1430 C GLU A 94 14.341 -9.846 1.074 1.00 0.00 C ATOM 1431 O GLU A 94 14.328 -10.835 0.330 1.00 0.00 O ATOM 1432 CB GLU A 94 16.744 -9.875 1.991 1.00 0.00 C ATOM 1433 CG GLU A 94 16.700 -9.849 3.523 1.00 0.00 C ATOM 1434 CD GLU A 94 15.438 -10.365 4.184 1.00 0.00 C ATOM 1435 OE1 GLU A 94 14.430 -9.631 4.256 1.00 0.00 O ATOM 1436 OE2 GLU A 94 15.456 -11.514 4.681 1.00 0.00 O ATOM 0 H GLU A 94 15.054 -7.783 2.746 1.00 0.00 H new ATOM 0 HA GLU A 94 15.982 -8.927 0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.687 -10.914 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.715 -9.495 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.541 -10.434 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.857 -8.821 3.849 1.00 0.00 H new ATOM 1443 N THR A 95 13.232 -9.345 1.673 1.00 0.00 N ATOM 1444 CA THR A 95 11.929 -10.029 1.681 1.00 0.00 C ATOM 1445 C THR A 95 11.065 -9.549 2.874 1.00 0.00 C ATOM 1446 O THR A 95 9.852 -9.346 2.742 1.00 0.00 O ATOM 1447 CB THR A 95 12.082 -11.579 1.759 1.00 0.00 C ATOM 1448 OG1 THR A 95 10.828 -12.250 1.600 1.00 0.00 O ATOM 1449 CG2 THR A 95 12.752 -12.014 3.055 1.00 0.00 C ATOM 0 H THR A 95 13.224 -8.451 2.164 1.00 0.00 H new ATOM 0 HA THR A 95 11.438 -9.776 0.741 1.00 0.00 H new ATOM 0 HB THR A 95 12.725 -11.867 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.966 -13.219 1.653 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.841 -13.100 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.744 -11.568 3.119 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.151 -11.686 3.903 1.00 0.00 H new ATOM 1457 N SER A 96 11.696 -9.323 4.024 1.00 0.00 N ATOM 1458 CA SER A 96 10.984 -9.021 5.260 1.00 0.00 C ATOM 1459 C SER A 96 10.291 -7.669 5.174 1.00 0.00 C ATOM 1460 O SER A 96 9.194 -7.472 5.691 1.00 0.00 O ATOM 1461 CB SER A 96 11.977 -9.062 6.430 1.00 0.00 C ATOM 1462 OG SER A 96 11.333 -8.932 7.688 1.00 0.00 O ATOM 0 H SER A 96 12.711 -9.344 4.124 1.00 0.00 H new ATOM 0 HA SER A 96 10.208 -9.769 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.529 -10.001 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.706 -8.260 6.313 1.00 0.00 H new ATOM 0 HG SER A 96 12.002 -8.965 8.403 1.00 0.00 H new ATOM 1468 N GLU A 97 10.907 -6.788 4.429 1.00 0.00 N ATOM 1469 CA GLU A 97 10.436 -5.430 4.302 1.00 0.00 C ATOM 1470 C GLU A 97 9.164 -5.396 3.465 1.00 0.00 C ATOM 1471 O GLU A 97 8.191 -4.701 3.761 1.00 0.00 O ATOM 1472 CB GLU A 97 11.551 -4.555 3.690 1.00 0.00 C ATOM 1473 CG GLU A 97 11.862 -4.737 2.185 1.00 0.00 C ATOM 1474 CD GLU A 97 12.294 -6.133 1.797 1.00 0.00 C ATOM 1475 OE1 GLU A 97 12.920 -6.823 2.620 1.00 0.00 O ATOM 1476 OE2 GLU A 97 11.974 -6.576 0.693 1.00 0.00 O ATOM 0 H GLU A 97 11.750 -6.990 3.892 1.00 0.00 H new ATOM 0 HA GLU A 97 10.191 -5.027 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 97 11.286 -3.510 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.469 -4.742 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.975 -4.472 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.647 -4.036 1.902 1.00 0.00 H new ATOM 1483 N MET A 98 9.181 -6.201 2.460 1.00 0.00 N ATOM 1484 CA MET A 98 8.109 -6.273 1.510 1.00 0.00 C ATOM 1485 C MET A 98 6.907 -7.060 2.061 1.00 0.00 C ATOM 1486 O MET A 98 5.775 -6.742 1.753 1.00 0.00 O ATOM 1487 CB MET A 98 8.636 -6.761 0.153 1.00 0.00 C ATOM 1488 CG MET A 98 8.967 -8.219 0.051 1.00 0.00 C ATOM 1489 SD MET A 98 7.521 -9.241 -0.173 1.00 0.00 S ATOM 1490 CE MET A 98 8.316 -10.815 -0.197 1.00 0.00 C ATOM 0 H MET A 98 9.950 -6.842 2.266 1.00 0.00 H new ATOM 0 HA MET A 98 7.712 -5.273 1.335 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.891 -6.526 -0.607 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.532 -6.190 -0.091 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.650 -8.375 -0.784 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.492 -8.532 0.954 1.00 0.00 H new ATOM 0 HE1 MET A 98 7.563 -11.602 -0.241 1.00 0.00 H new ATOM 0 HE2 MET A 98 8.963 -10.882 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 98 8.914 -10.935 0.707 1.00 0.00 H new ATOM 1500 N LEU A 99 7.149 -8.072 2.900 1.00 0.00 N ATOM 1501 CA LEU A 99 6.044 -8.782 3.564 1.00 0.00 C ATOM 1502 C LEU A 99 5.487 -7.912 4.683 1.00 0.00 C ATOM 1503 O LEU A 99 4.305 -8.038 5.101 1.00 0.00 O ATOM 1504 CB LEU A 99 6.520 -10.124 4.125 1.00 0.00 C ATOM 1505 CG LEU A 99 6.971 -11.157 3.092 1.00 0.00 C ATOM 1506 CD1 LEU A 99 7.561 -12.374 3.779 1.00 0.00 C ATOM 1507 CD2 LEU A 99 5.811 -11.563 2.187 1.00 0.00 C ATOM 0 H LEU A 99 8.080 -8.415 3.134 1.00 0.00 H new ATOM 0 HA LEU A 99 5.261 -8.981 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.348 -9.937 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.712 -10.557 4.714 1.00 0.00 H new ATOM 0 HG LEU A 99 7.743 -10.702 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.876 -13.098 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.421 -12.073 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.810 -12.826 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.156 -12.299 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.013 -11.996 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.434 -10.685 1.663 1.00 0.00 H new ATOM 1519 N ALA A 100 6.361 -7.045 5.181 1.00 0.00 N ATOM 1520 CA ALA A 100 5.987 -6.064 6.168 1.00 0.00 C ATOM 1521 C ALA A 100 4.841 -5.229 5.647 1.00 0.00 C ATOM 1522 O ALA A 100 3.965 -4.870 6.415 1.00 0.00 O ATOM 1523 CB ALA A 100 7.159 -5.189 6.580 1.00 0.00 C ATOM 0 H ALA A 100 7.343 -7.010 4.907 1.00 0.00 H new ATOM 0 HA ALA A 100 5.665 -6.593 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.829 -4.465 7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.947 -5.812 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.544 -4.661 5.707 1.00 0.00 H new ATOM 1529 N LEU A 101 4.814 -5.002 4.312 1.00 0.00 N ATOM 1530 CA LEU A 101 3.731 -4.290 3.638 1.00 0.00 C ATOM 1531 C LEU A 101 2.403 -4.785 4.092 1.00 0.00 C ATOM 1532 O LEU A 101 1.580 -3.995 4.460 1.00 0.00 O ATOM 1533 CB LEU A 101 3.760 -4.439 2.128 1.00 0.00 C ATOM 1534 CG LEU A 101 4.661 -3.476 1.319 1.00 0.00 C ATOM 1535 CD1 LEU A 101 3.965 -2.141 1.149 1.00 0.00 C ATOM 1536 CD2 LEU A 101 5.989 -3.230 2.013 1.00 0.00 C ATOM 0 H LEU A 101 5.552 -5.314 3.680 1.00 0.00 H new ATOM 0 HA LEU A 101 3.881 -3.242 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.071 -5.458 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.739 -4.328 1.762 1.00 0.00 H new ATOM 0 HG LEU A 101 4.847 -3.945 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.604 -1.467 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.025 -2.286 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.764 -1.708 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.592 -2.549 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.811 -2.789 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.518 -4.175 2.131 1.00 0.00 H new ATOM 1548 N LEU A 102 2.199 -6.088 4.123 1.00 0.00 N ATOM 1549 CA LEU A 102 0.929 -6.627 4.500 1.00 0.00 C ATOM 1550 C LEU A 102 0.531 -6.274 5.932 1.00 0.00 C ATOM 1551 O LEU A 102 -0.578 -5.803 6.138 1.00 0.00 O ATOM 1552 CB LEU A 102 0.832 -8.122 4.273 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.416 -8.761 4.872 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -1.667 -8.414 4.068 1.00 0.00 C ATOM 1555 CD2 LEU A 102 -0.255 -10.262 5.054 1.00 0.00 C ATOM 0 H LEU A 102 2.906 -6.786 3.889 1.00 0.00 H new ATOM 0 HA LEU A 102 0.213 -6.146 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.849 -8.318 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.713 -8.602 4.699 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.547 -8.337 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.536 -8.887 4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.805 -7.333 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.554 -8.774 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.167 -10.676 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.065 -10.727 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.583 -10.460 5.723 1.00 0.00 H new ATOM 1567 N HIS A 103 1.411 -6.479 6.921 1.00 0.00 N ATOM 1568 CA HIS A 103 1.005 -6.179 8.299 1.00 0.00 C ATOM 1569 C HIS A 103 0.715 -4.674 8.431 1.00 0.00 C ATOM 1570 O HIS A 103 -0.249 -4.274 9.063 1.00 0.00 O ATOM 1571 CB HIS A 103 2.038 -6.667 9.367 1.00 0.00 C ATOM 1572 CG HIS A 103 3.169 -5.719 9.696 1.00 0.00 C ATOM 1573 ND1 HIS A 103 4.394 -5.806 9.096 1.00 0.00 N ATOM 1574 CD2 HIS A 103 3.165 -4.655 10.536 1.00 0.00 C ATOM 1575 CE1 HIS A 103 5.096 -4.783 9.567 1.00 0.00 C ATOM 1576 NE2 HIS A 103 4.395 -4.069 10.443 1.00 0.00 N ATOM 0 H HIS A 103 2.361 -6.833 6.805 1.00 0.00 H new ATOM 0 HA HIS A 103 0.094 -6.741 8.506 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.498 -6.886 10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.470 -7.606 9.020 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.345 -4.332 11.160 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.111 -4.558 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.715 -3.243 10.948 1.00 0.00 H new ATOM 1584 N ILE A 104 1.512 -3.881 7.729 1.00 0.00 N ATOM 1585 CA ILE A 104 1.375 -2.421 7.822 1.00 0.00 C ATOM 1586 C ILE A 104 0.146 -1.946 7.061 1.00 0.00 C ATOM 1587 O ILE A 104 -0.595 -1.094 7.527 1.00 0.00 O ATOM 1588 CB ILE A 104 2.694 -1.621 7.438 1.00 0.00 C ATOM 1589 CG1 ILE A 104 2.509 -0.089 7.384 1.00 0.00 C ATOM 1590 CG2 ILE A 104 3.284 -2.079 6.130 1.00 0.00 C ATOM 1591 CD1 ILE A 104 2.031 0.429 6.026 1.00 0.00 C ATOM 0 H ILE A 104 2.246 -4.207 7.100 1.00 0.00 H new ATOM 0 HA ILE A 104 1.224 -2.188 8.876 1.00 0.00 H new ATOM 0 HB ILE A 104 3.381 -1.849 8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.791 0.208 8.149 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.456 0.391 7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.183 -1.501 5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.540 -3.136 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.557 -1.931 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.925 1.513 6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.759 0.165 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.068 -0.021 5.783 1.00 0.00 H new ATOM 1603 N THR A 105 -0.112 -2.578 5.955 1.00 0.00 N ATOM 1604 CA THR A 105 -1.206 -2.163 5.116 1.00 0.00 C ATOM 1605 C THR A 105 -2.540 -2.694 5.645 1.00 0.00 C ATOM 1606 O THR A 105 -3.540 -2.009 5.608 1.00 0.00 O ATOM 1607 CB THR A 105 -0.966 -2.548 3.626 1.00 0.00 C ATOM 1608 OG1 THR A 105 -1.845 -1.839 2.746 1.00 0.00 O ATOM 1609 CG2 THR A 105 -1.179 -4.018 3.415 1.00 0.00 C ATOM 0 H THR A 105 0.415 -3.380 5.610 1.00 0.00 H new ATOM 0 HA THR A 105 -1.258 -1.075 5.151 1.00 0.00 H new ATOM 0 HB THR A 105 0.065 -2.279 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.046 -0.958 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.006 -4.264 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.484 -4.580 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.202 -4.280 3.685 1.00 0.00 H new ATOM 1617 N ARG A 106 -2.553 -3.876 6.213 1.00 0.00 N ATOM 1618 CA ARG A 106 -3.814 -4.406 6.675 1.00 0.00 C ATOM 1619 C ARG A 106 -4.211 -3.708 7.953 1.00 0.00 C ATOM 1620 O ARG A 106 -5.341 -3.304 8.103 1.00 0.00 O ATOM 1621 CB ARG A 106 -3.802 -5.939 6.844 1.00 0.00 C ATOM 1622 CG ARG A 106 -2.934 -6.459 7.982 1.00 0.00 C ATOM 1623 CD ARG A 106 -3.022 -7.966 8.137 1.00 0.00 C ATOM 1624 NE ARG A 106 -2.237 -8.415 9.290 1.00 0.00 N ATOM 1625 CZ ARG A 106 -2.144 -9.666 9.745 1.00 0.00 C ATOM 1626 NH1 ARG A 106 -2.798 -10.656 9.155 1.00 0.00 N ATOM 1627 NH2 ARG A 106 -1.408 -9.914 10.813 1.00 0.00 N ATOM 0 H ARG A 106 -1.738 -4.471 6.363 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.561 -4.207 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.825 -6.279 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.459 -6.389 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.897 -6.175 7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.238 -5.983 8.914 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.063 -8.264 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.658 -8.452 7.232 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.710 -7.702 9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.383 -10.467 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.717 -11.607 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.917 -9.153 11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.330 -10.867 11.169 1.00 0.00 H new ATOM 1641 N ASP A 107 -3.241 -3.499 8.824 1.00 0.00 N ATOM 1642 CA ASP A 107 -3.461 -2.881 10.117 1.00 0.00 C ATOM 1643 C ASP A 107 -3.825 -1.408 9.982 1.00 0.00 C ATOM 1644 O ASP A 107 -4.871 -0.957 10.483 1.00 0.00 O ATOM 1645 CB ASP A 107 -2.207 -3.051 10.968 1.00 0.00 C ATOM 1646 CG ASP A 107 -2.330 -2.444 12.342 1.00 0.00 C ATOM 1647 OD1 ASP A 107 -3.055 -3.017 13.189 1.00 0.00 O ATOM 1648 OD2 ASP A 107 -1.657 -1.431 12.623 1.00 0.00 O ATOM 0 H ASP A 107 -2.269 -3.756 8.651 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.304 -3.373 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.985 -4.114 11.067 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.362 -2.595 10.452 1.00 0.00 H new ATOM 1653 N ALA A 108 -2.993 -0.672 9.267 1.00 0.00 N ATOM 1654 CA ALA A 108 -3.189 0.750 9.106 1.00 0.00 C ATOM 1655 C ALA A 108 -4.463 1.043 8.334 1.00 0.00 C ATOM 1656 O ALA A 108 -5.358 1.638 8.869 1.00 0.00 O ATOM 1657 CB ALA A 108 -1.991 1.375 8.419 1.00 0.00 C ATOM 0 H ALA A 108 -2.172 -1.042 8.788 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.290 1.192 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.155 2.447 8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.098 1.206 9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -1.858 0.922 7.436 1.00 0.00 H new ATOM 1663 N TYR A 109 -4.613 0.400 7.195 1.00 0.00 N ATOM 1664 CA TYR A 109 -5.711 0.757 6.261 1.00 0.00 C ATOM 1665 C TYR A 109 -7.065 0.437 6.841 1.00 0.00 C ATOM 1666 O TYR A 109 -8.016 1.193 6.716 1.00 0.00 O ATOM 1667 CB TYR A 109 -5.529 0.081 4.887 1.00 0.00 C ATOM 1668 CG TYR A 109 -4.397 0.664 4.069 1.00 0.00 C ATOM 1669 CD1 TYR A 109 -3.091 0.640 4.535 1.00 0.00 C ATOM 1670 CD2 TYR A 109 -4.629 1.214 2.823 1.00 0.00 C ATOM 1671 CE1 TYR A 109 -2.053 1.133 3.799 1.00 0.00 C ATOM 1672 CE2 TYR A 109 -3.591 1.719 2.077 1.00 0.00 C ATOM 1673 CZ TYR A 109 -2.304 1.670 2.567 1.00 0.00 C ATOM 1674 OH TYR A 109 -1.272 2.168 1.821 1.00 0.00 O ATOM 0 H TYR A 109 -4.012 -0.361 6.879 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.662 1.836 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.347 -0.983 5.037 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.457 0.170 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -2.890 0.219 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.635 1.247 2.432 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.045 1.099 4.185 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.784 2.154 1.107 1.00 0.00 H new ATOM 0 HH TYR A 109 -0.708 1.430 1.509 1.00 0.00 H new ATOM 1684 N ARG A 110 -7.064 -0.652 7.521 1.00 0.00 N ATOM 1685 CA ARG A 110 -8.329 -1.108 8.086 1.00 0.00 C ATOM 1686 C ARG A 110 -8.864 -0.116 9.137 1.00 0.00 C ATOM 1687 O ARG A 110 -10.046 -0.111 9.450 1.00 0.00 O ATOM 1688 CB ARG A 110 -8.192 -2.470 8.698 1.00 0.00 C ATOM 1689 CG ARG A 110 -7.685 -2.471 10.115 1.00 0.00 C ATOM 1690 CD ARG A 110 -7.167 -3.819 10.446 1.00 0.00 C ATOM 1691 NE ARG A 110 -8.129 -4.876 10.096 1.00 0.00 N ATOM 1692 CZ ARG A 110 -8.259 -6.058 10.703 1.00 0.00 C ATOM 1693 NH1 ARG A 110 -7.494 -6.369 11.748 1.00 0.00 N ATOM 1694 NH2 ARG A 110 -9.155 -6.934 10.254 1.00 0.00 N ATOM 0 H ARG A 110 -6.251 -1.239 7.707 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.044 -1.164 7.265 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -9.163 -2.965 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.516 -3.064 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.897 -1.727 10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.487 -2.198 10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.231 -3.989 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.942 -3.870 11.511 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.757 -4.688 9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.802 -5.702 12.090 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.600 -7.274 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.738 -6.701 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -9.259 -7.839 10.714 1.00 0.00 H new ATOM 1708 N SER A 111 -7.981 0.726 9.658 1.00 0.00 N ATOM 1709 CA SER A 111 -8.336 1.681 10.683 1.00 0.00 C ATOM 1710 C SER A 111 -9.038 2.943 10.125 1.00 0.00 C ATOM 1711 O SER A 111 -9.518 3.769 10.893 1.00 0.00 O ATOM 1712 CB SER A 111 -7.070 2.049 11.459 1.00 0.00 C ATOM 1713 OG SER A 111 -6.441 0.872 11.980 1.00 0.00 O ATOM 0 H SER A 111 -7.001 0.761 9.378 1.00 0.00 H new ATOM 0 HA SER A 111 -9.066 1.216 11.345 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.377 2.580 10.806 1.00 0.00 H new ATOM 0 HB3 SER A 111 -7.321 2.726 12.275 1.00 0.00 H new ATOM 0 HG SER A 111 -5.974 0.404 11.257 1.00 0.00 H new ATOM 1719 N TRP A 112 -9.102 3.097 8.800 1.00 0.00 N ATOM 1720 CA TRP A 112 -9.728 4.282 8.211 1.00 0.00 C ATOM 1721 C TRP A 112 -10.462 3.933 6.908 1.00 0.00 C ATOM 1722 O TRP A 112 -11.565 4.425 6.653 1.00 0.00 O ATOM 1723 CB TRP A 112 -8.714 5.443 8.037 1.00 0.00 C ATOM 1724 CG TRP A 112 -7.283 5.081 8.319 1.00 0.00 C ATOM 1725 CD1 TRP A 112 -6.540 4.129 7.689 1.00 0.00 C ATOM 1726 CD2 TRP A 112 -6.418 5.664 9.303 1.00 0.00 C ATOM 1727 NE1 TRP A 112 -5.284 4.142 8.155 1.00 0.00 N ATOM 1728 CE2 TRP A 112 -5.173 5.043 9.164 1.00 0.00 C ATOM 1729 CE3 TRP A 112 -6.569 6.649 10.278 1.00 0.00 C ATOM 1730 CZ2 TRP A 112 -4.077 5.364 9.946 1.00 0.00 C ATOM 1731 CZ3 TRP A 112 -5.481 6.970 11.067 1.00 0.00 C ATOM 1732 CH2 TRP A 112 -4.249 6.327 10.896 1.00 0.00 C ATOM 0 H TRP A 112 -8.734 2.427 8.124 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.483 4.643 8.910 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.784 5.817 7.016 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -9.003 6.261 8.697 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.910 3.461 6.925 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.523 3.561 7.803 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.516 7.150 10.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -3.125 4.872 9.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.583 7.729 11.828 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.418 6.599 11.530 1.00 0.00 H new ATOM 1743 N THR A 113 -9.878 3.035 6.129 1.00 0.00 N ATOM 1744 CA THR A 113 -10.554 2.581 4.934 1.00 0.00 C ATOM 1745 C THR A 113 -11.435 1.337 5.141 1.00 0.00 C ATOM 1746 O THR A 113 -12.659 1.459 5.113 1.00 0.00 O ATOM 1747 CB THR A 113 -9.639 2.527 3.663 1.00 0.00 C ATOM 1748 OG1 THR A 113 -10.428 2.274 2.495 1.00 0.00 O ATOM 1749 CG2 THR A 113 -8.556 1.466 3.736 1.00 0.00 C ATOM 0 H THR A 113 -8.963 2.619 6.299 1.00 0.00 H new ATOM 0 HA THR A 113 -11.270 3.372 4.710 1.00 0.00 H new ATOM 0 HB THR A 113 -9.151 3.501 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.931 2.553 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.963 1.488 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.911 1.663 4.592 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.016 0.484 3.847 1.00 0.00 H new ATOM 1757 N ASN A 114 -10.857 0.171 5.402 1.00 0.00 N ATOM 1758 CA ASN A 114 -11.647 -1.054 5.524 1.00 0.00 C ATOM 1759 C ASN A 114 -10.843 -2.184 6.136 1.00 0.00 C ATOM 1760 O ASN A 114 -9.926 -2.698 5.488 1.00 0.00 O ATOM 1761 CB ASN A 114 -12.355 -1.458 4.197 1.00 0.00 C ATOM 1762 CG ASN A 114 -11.439 -1.706 2.999 1.00 0.00 C ATOM 1763 OD1 ASN A 114 -11.052 -2.835 2.712 1.00 0.00 O ATOM 1764 ND2 ASN A 114 -11.083 -0.659 2.282 1.00 0.00 N ATOM 1765 OXT ASN A 114 -11.122 -2.559 7.296 1.00 0.00 O ATOM 0 H ASN A 114 -9.853 0.045 5.533 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.455 -0.834 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.936 -2.362 4.379 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -13.063 -0.673 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -10.475 -0.779 1.472 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -11.416 0.271 2.537 1.00 0.00 H new