USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1011 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 115 THR OG1 : rot 180:sc= 0.00896 USER MOD Set 1.2: A 119 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.515 (180deg=0.462) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 1.23 (180deg=1.12) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.682 K(o=0.68,f=-0.93) USER MOD Single : A 32 ASN : amide:sc= -0.698 X(o=-0.7,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 51 TYR OH : rot 120:sc= 0 USER MOD Single : A 56 SER OG : rot -160:sc= -0.103 USER MOD Single : A 59 ASN : amide:sc= -0.0245 K(o=-0.025,f=-1.2!) USER MOD Single : A 60 MET CE :methyl -166:sc= -0.136 (180deg=-0.582) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 165:sc= -0.0174 (180deg=-0.0406) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 78 MET CE :methyl 179:sc= 0 (180deg=-0.00569) USER MOD Single : A 79 SER OG : rot 113:sc= 1.25 USER MOD Single : A 85 MET CE :methyl -179:sc= -0.49 (180deg=-0.496) USER MOD Single : A 87 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0846 (180deg=-0.365) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0399 F(o=-0.72,f=-0.04) USER MOD Single : A 100 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.58) USER MOD Single : A 104 SER OG : rot -100:sc= -0.399 USER MOD Single : A 106 TYR OH : rot 29:sc= 1.23 USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= -0.0573 (180deg=-0.357) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.0455 X(o=-0.045,f=-0.49) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -164:sc= 0 (180deg=-0.0368) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.228 -15.053 -0.808 1.00 0.00 N ATOM 2 CA MET A 1 20.302 -16.400 -0.219 1.00 0.00 C ATOM 3 C MET A 1 18.911 -16.850 0.209 1.00 0.00 C ATOM 4 O MET A 1 18.396 -17.833 -0.324 1.00 0.00 O ATOM 5 CB MET A 1 21.335 -16.501 0.914 1.00 0.00 C ATOM 6 CG MET A 1 22.738 -16.758 0.357 1.00 0.00 C ATOM 7 SD MET A 1 23.481 -15.397 -0.575 1.00 0.00 S ATOM 8 CE MET A 1 24.743 -16.352 -1.458 1.00 0.00 C ATOM 0 H1 MET A 1 21.189 -14.680 -0.943 1.00 0.00 H new ATOM 0 H2 MET A 1 19.743 -15.102 -1.727 1.00 0.00 H new ATOM 0 H3 MET A 1 19.699 -14.424 -0.171 1.00 0.00 H new ATOM 0 HA MET A 1 20.663 -17.086 -0.985 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.334 -15.579 1.495 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.057 -17.306 1.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.398 -17.006 1.188 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.696 -17.635 -0.289 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.321 -15.686 -2.099 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.407 -16.830 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.261 -17.115 -2.069 1.00 0.00 H new ATOM 20 N ALA A 2 18.281 -16.158 1.158 1.00 0.00 N ATOM 21 CA ALA A 2 16.850 -16.233 1.418 1.00 0.00 C ATOM 22 C ALA A 2 16.268 -14.834 1.193 1.00 0.00 C ATOM 23 O ALA A 2 17.001 -13.876 0.937 1.00 0.00 O ATOM 24 CB ALA A 2 16.616 -16.777 2.834 1.00 0.00 C ATOM 0 H ALA A 2 18.768 -15.514 1.782 1.00 0.00 H new ATOM 0 HA ALA A 2 16.342 -16.922 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.545 -16.834 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.053 -17.772 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.083 -16.112 3.561 1.00 0.00 H new ATOM 30 N ASP A 3 14.947 -14.689 1.272 1.00 0.00 N ATOM 31 CA ASP A 3 14.239 -13.461 0.890 1.00 0.00 C ATOM 32 C ASP A 3 14.186 -12.472 2.060 1.00 0.00 C ATOM 33 O ASP A 3 13.155 -11.849 2.332 1.00 0.00 O ATOM 34 CB ASP A 3 12.815 -13.739 0.393 1.00 0.00 C ATOM 35 CG ASP A 3 12.687 -14.851 -0.632 1.00 0.00 C ATOM 36 OD1 ASP A 3 13.043 -14.619 -1.804 1.00 0.00 O ATOM 37 OD2 ASP A 3 12.181 -15.932 -0.235 1.00 0.00 O ATOM 0 H ASP A 3 14.328 -15.427 1.606 1.00 0.00 H new ATOM 0 HA ASP A 3 14.804 -13.023 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.191 -13.986 1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.414 -12.822 -0.039 1.00 0.00 H new ATOM 42 N LYS A 4 15.269 -12.349 2.825 1.00 0.00 N ATOM 43 CA LYS A 4 15.302 -11.629 4.102 1.00 0.00 C ATOM 44 C LYS A 4 15.170 -10.107 3.956 1.00 0.00 C ATOM 45 O LYS A 4 15.362 -9.389 4.936 1.00 0.00 O ATOM 46 CB LYS A 4 16.584 -11.992 4.854 1.00 0.00 C ATOM 47 CG LYS A 4 16.805 -13.495 5.083 1.00 0.00 C ATOM 48 CD LYS A 4 15.771 -14.146 6.014 1.00 0.00 C ATOM 49 CE LYS A 4 14.528 -14.706 5.316 1.00 0.00 C ATOM 50 NZ LYS A 4 13.569 -15.274 6.290 1.00 0.00 N ATOM 0 H LYS A 4 16.169 -12.755 2.571 1.00 0.00 H new ATOM 0 HA LYS A 4 14.428 -11.945 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 4 17.435 -11.596 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 4 16.573 -11.491 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.783 -14.005 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.800 -13.645 5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.256 -14.954 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.453 -13.408 6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.043 -13.915 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.825 -15.476 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.739 -15.644 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.026 -16.045 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.268 -14.532 6.953 1.00 0.00 H new ATOM 64 N GLU A 5 14.876 -9.611 2.758 1.00 0.00 N ATOM 65 CA GLU A 5 14.617 -8.217 2.461 1.00 0.00 C ATOM 66 C GLU A 5 13.444 -8.191 1.467 1.00 0.00 C ATOM 67 O GLU A 5 13.631 -7.975 0.265 1.00 0.00 O ATOM 68 CB GLU A 5 15.902 -7.541 1.946 1.00 0.00 C ATOM 69 CG GLU A 5 17.083 -7.621 2.928 1.00 0.00 C ATOM 70 CD GLU A 5 18.274 -6.790 2.458 1.00 0.00 C ATOM 71 OE1 GLU A 5 18.151 -5.547 2.397 1.00 0.00 O ATOM 72 OE2 GLU A 5 19.349 -7.352 2.138 1.00 0.00 O ATOM 0 H GLU A 5 14.810 -10.205 1.931 1.00 0.00 H new ATOM 0 HA GLU A 5 14.333 -7.642 3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.193 -8.006 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.690 -6.493 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.763 -7.272 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.389 -8.661 3.043 1.00 0.00 H new ATOM 79 N LEU A 6 12.245 -8.518 1.972 1.00 0.00 N ATOM 80 CA LEU A 6 10.952 -8.445 1.281 1.00 0.00 C ATOM 81 C LEU A 6 10.801 -7.141 0.503 1.00 0.00 C ATOM 82 O LEU A 6 11.100 -6.069 1.023 1.00 0.00 O ATOM 83 CB LEU A 6 9.810 -8.571 2.312 1.00 0.00 C ATOM 84 CG LEU A 6 8.395 -8.633 1.689 1.00 0.00 C ATOM 85 CD1 LEU A 6 8.153 -9.966 0.973 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.326 -8.463 2.771 1.00 0.00 C ATOM 0 H LEU A 6 12.148 -8.860 2.928 1.00 0.00 H new ATOM 0 HA LEU A 6 10.904 -9.267 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.972 -9.469 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.857 -7.723 2.995 1.00 0.00 H new ATOM 0 HG LEU A 6 8.329 -7.822 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.149 -9.974 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.886 -10.089 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.251 -10.785 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.337 -8.509 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.424 -9.260 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.455 -7.498 3.261 1.00 0.00 H new ATOM 98 N LYS A 7 10.304 -7.225 -0.735 1.00 0.00 N ATOM 99 CA LYS A 7 10.044 -6.038 -1.533 1.00 0.00 C ATOM 100 C LYS A 7 8.702 -5.437 -1.128 1.00 0.00 C ATOM 101 O LYS A 7 7.685 -6.138 -1.156 1.00 0.00 O ATOM 102 CB LYS A 7 10.065 -6.368 -3.028 1.00 0.00 C ATOM 103 CG LYS A 7 10.182 -5.084 -3.862 1.00 0.00 C ATOM 104 CD LYS A 7 11.633 -4.677 -4.146 1.00 0.00 C ATOM 105 CE LYS A 7 12.087 -5.220 -5.509 1.00 0.00 C ATOM 106 NZ LYS A 7 13.406 -4.671 -5.866 1.00 0.00 N ATOM 0 H LYS A 7 10.076 -8.104 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 7 10.831 -5.307 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.903 -7.029 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.156 -6.904 -3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.659 -5.224 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.680 -4.271 -3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.721 -3.591 -4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.285 -5.059 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.136 -6.308 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.357 -4.956 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.791 -5.193 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.308 -3.666 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.052 -4.765 -5.056 1.00 0.00 H new ATOM 120 N PHE A 8 8.683 -4.139 -0.839 1.00 0.00 N ATOM 121 CA PHE A 8 7.481 -3.378 -0.522 1.00 0.00 C ATOM 122 C PHE A 8 7.225 -2.410 -1.670 1.00 0.00 C ATOM 123 O PHE A 8 8.005 -1.478 -1.824 1.00 0.00 O ATOM 124 CB PHE A 8 7.697 -2.606 0.790 1.00 0.00 C ATOM 125 CG PHE A 8 7.320 -3.345 2.052 1.00 0.00 C ATOM 126 CD1 PHE A 8 8.218 -4.228 2.675 1.00 0.00 C ATOM 127 CD2 PHE A 8 6.065 -3.109 2.634 1.00 0.00 C ATOM 128 CE1 PHE A 8 7.840 -4.866 3.869 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.695 -3.731 3.834 1.00 0.00 C ATOM 130 CZ PHE A 8 6.583 -4.626 4.452 1.00 0.00 C ATOM 0 H PHE A 8 9.530 -3.571 -0.819 1.00 0.00 H new ATOM 0 HA PHE A 8 6.624 -4.040 -0.395 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.748 -2.324 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.121 -1.682 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 8 9.189 -4.415 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.373 -2.437 2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.525 -5.551 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.734 -3.523 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 8 6.303 -5.126 5.367 1.00 0.00 H new ATOM 140 N LEU A 9 6.190 -2.590 -2.498 1.00 0.00 N ATOM 141 CA LEU A 9 5.879 -1.542 -3.468 1.00 0.00 C ATOM 142 C LEU A 9 5.274 -0.349 -2.734 1.00 0.00 C ATOM 143 O LEU A 9 4.411 -0.549 -1.877 1.00 0.00 O ATOM 144 CB LEU A 9 4.887 -2.025 -4.533 1.00 0.00 C ATOM 145 CG LEU A 9 4.801 -1.043 -5.712 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.130 -0.910 -6.462 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.741 -1.527 -6.688 1.00 0.00 C ATOM 0 H LEU A 9 5.582 -3.409 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 9 6.805 -1.263 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.192 -3.006 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.900 -2.144 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 9 4.547 -0.065 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.014 -0.205 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.899 -0.548 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.424 -1.883 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.675 -0.834 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.010 -2.517 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.777 -1.577 -6.182 1.00 0.00 H new ATOM 159 N VAL A 10 5.674 0.863 -3.117 1.00 0.00 N ATOM 160 CA VAL A 10 5.146 2.112 -2.577 1.00 0.00 C ATOM 161 C VAL A 10 4.745 3.040 -3.739 1.00 0.00 C ATOM 162 O VAL A 10 5.591 3.560 -4.467 1.00 0.00 O ATOM 163 CB VAL A 10 6.144 2.755 -1.584 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.447 3.856 -0.773 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.730 1.754 -0.571 1.00 0.00 C ATOM 0 H VAL A 10 6.391 1.005 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 10 4.246 1.916 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 10 6.954 3.148 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.158 4.301 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.072 4.624 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.615 3.426 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.421 2.272 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.923 1.315 0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.261 0.966 -1.104 1.00 0.00 H new ATOM 175 N VAL A 11 3.443 3.247 -3.945 1.00 0.00 N ATOM 176 CA VAL A 11 2.901 4.122 -4.991 1.00 0.00 C ATOM 177 C VAL A 11 2.091 5.194 -4.268 1.00 0.00 C ATOM 178 O VAL A 11 0.901 5.380 -4.496 1.00 0.00 O ATOM 179 CB VAL A 11 2.129 3.331 -6.080 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.044 4.139 -7.381 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.786 1.963 -6.319 1.00 0.00 C ATOM 0 H VAL A 11 2.720 2.803 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 11 3.688 4.604 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 11 1.112 3.160 -5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.499 3.565 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.523 5.078 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.050 4.349 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.231 1.422 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.815 2.106 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.778 1.389 -5.393 1.00 0.00 H new ATOM 191 N ASP A 12 2.728 5.840 -3.296 1.00 0.00 N ATOM 192 CA ASP A 12 2.208 7.042 -2.667 1.00 0.00 C ATOM 193 C ASP A 12 2.188 8.182 -3.692 1.00 0.00 C ATOM 194 O ASP A 12 2.917 8.150 -4.688 1.00 0.00 O ATOM 195 CB ASP A 12 3.091 7.412 -1.476 1.00 0.00 C ATOM 196 CG ASP A 12 4.491 7.799 -1.935 1.00 0.00 C ATOM 197 OD1 ASP A 12 5.286 6.881 -2.223 1.00 0.00 O ATOM 198 OD2 ASP A 12 4.769 9.007 -2.073 1.00 0.00 O ATOM 0 H ASP A 12 3.628 5.538 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 12 1.192 6.868 -2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.642 8.241 -0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.150 6.570 -0.787 1.00 0.00 H new ATOM 203 N ASP A 13 1.362 9.205 -3.457 1.00 0.00 N ATOM 204 CA ASP A 13 1.184 10.314 -4.396 1.00 0.00 C ATOM 205 C ASP A 13 2.187 11.438 -4.132 1.00 0.00 C ATOM 206 O ASP A 13 2.748 12.010 -5.069 1.00 0.00 O ATOM 207 CB ASP A 13 -0.241 10.871 -4.303 1.00 0.00 C ATOM 208 CG ASP A 13 -0.385 12.176 -5.086 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.043 12.219 -6.290 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.835 13.180 -4.494 1.00 0.00 O ATOM 0 H ASP A 13 0.798 9.287 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 13 1.359 9.923 -5.399 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.946 10.135 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.498 11.042 -3.258 1.00 0.00 H new ATOM 215 N PHE A 14 2.399 11.777 -2.863 1.00 0.00 N ATOM 216 CA PHE A 14 3.176 12.929 -2.431 1.00 0.00 C ATOM 217 C PHE A 14 4.626 12.498 -2.218 1.00 0.00 C ATOM 218 O PHE A 14 4.838 11.728 -1.305 1.00 0.00 O ATOM 219 CB PHE A 14 2.565 13.421 -1.102 1.00 0.00 C ATOM 220 CG PHE A 14 3.138 14.728 -0.593 1.00 0.00 C ATOM 221 CD1 PHE A 14 3.241 15.837 -1.454 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.579 14.841 0.740 1.00 0.00 C ATOM 223 CE1 PHE A 14 3.816 17.032 -0.999 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.147 16.045 1.193 1.00 0.00 C ATOM 225 CZ PHE A 14 4.276 17.140 0.322 1.00 0.00 C ATOM 0 H PHE A 14 2.021 11.238 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 14 3.156 13.726 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.489 13.537 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.713 12.654 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.876 15.767 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.481 14.003 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.905 17.874 -1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.486 16.128 2.215 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.726 18.059 0.667 1.00 0.00 H new ATOM 235 N SER A 15 5.634 12.957 -2.968 1.00 0.00 N ATOM 236 CA SER A 15 6.972 12.337 -2.929 1.00 0.00 C ATOM 237 C SER A 15 7.581 12.206 -1.512 1.00 0.00 C ATOM 238 O SER A 15 8.185 11.178 -1.194 1.00 0.00 O ATOM 239 CB SER A 15 7.904 13.068 -3.900 1.00 0.00 C ATOM 240 OG SER A 15 9.096 12.341 -4.135 1.00 0.00 O ATOM 0 H SER A 15 5.555 13.749 -3.606 1.00 0.00 H new ATOM 0 HA SER A 15 6.851 11.303 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.387 13.233 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.151 14.050 -3.496 1.00 0.00 H new ATOM 0 HG SER A 15 9.664 12.838 -4.760 1.00 0.00 H new ATOM 246 N THR A 16 7.383 13.182 -0.620 1.00 0.00 N ATOM 247 CA THR A 16 7.729 13.103 0.808 1.00 0.00 C ATOM 248 C THR A 16 7.218 11.803 1.445 1.00 0.00 C ATOM 249 O THR A 16 7.878 11.211 2.298 1.00 0.00 O ATOM 250 CB THR A 16 7.087 14.324 1.492 1.00 0.00 C ATOM 251 OG1 THR A 16 7.771 15.503 1.118 1.00 0.00 O ATOM 252 CG2 THR A 16 6.960 14.270 3.016 1.00 0.00 C ATOM 0 H THR A 16 6.965 14.076 -0.877 1.00 0.00 H new ATOM 0 HA THR A 16 8.812 13.103 0.930 1.00 0.00 H new ATOM 0 HB THR A 16 6.059 14.317 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.356 16.275 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.493 15.187 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.346 13.415 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.950 14.169 3.460 1.00 0.00 H new ATOM 260 N MET A 17 6.030 11.367 1.053 1.00 0.00 N ATOM 261 CA MET A 17 5.338 10.198 1.537 1.00 0.00 C ATOM 262 C MET A 17 6.087 8.908 1.174 1.00 0.00 C ATOM 263 O MET A 17 6.001 7.983 1.980 1.00 0.00 O ATOM 264 CB MET A 17 3.885 10.250 1.038 1.00 0.00 C ATOM 265 CG MET A 17 2.914 9.514 1.940 1.00 0.00 C ATOM 266 SD MET A 17 1.274 9.178 1.241 1.00 0.00 S ATOM 267 CE MET A 17 0.431 10.767 1.418 1.00 0.00 C ATOM 0 H MET A 17 5.494 11.860 0.339 1.00 0.00 H new ATOM 0 HA MET A 17 5.311 10.193 2.627 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.574 11.291 0.954 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.836 9.821 0.037 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.365 8.565 2.228 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.785 10.096 2.853 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.582 10.687 1.025 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.391 11.042 2.472 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.976 11.532 0.864 1.00 0.00 H new ATOM 277 N ARG A 18 6.920 8.851 0.109 1.00 0.00 N ATOM 278 CA ARG A 18 7.847 7.722 -0.088 1.00 0.00 C ATOM 279 C ARG A 18 8.734 7.625 1.143 1.00 0.00 C ATOM 280 O ARG A 18 8.834 6.572 1.774 1.00 0.00 O ATOM 281 CB ARG A 18 8.813 7.902 -1.287 1.00 0.00 C ATOM 282 CG ARG A 18 8.405 7.472 -2.702 1.00 0.00 C ATOM 283 CD ARG A 18 7.784 8.588 -3.552 1.00 0.00 C ATOM 284 NE ARG A 18 7.671 8.237 -4.983 1.00 0.00 N ATOM 285 CZ ARG A 18 6.859 7.332 -5.549 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.084 6.555 -4.804 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.847 7.188 -6.874 1.00 0.00 N ATOM 0 H ARG A 18 6.967 9.566 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 18 7.227 6.844 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.067 8.961 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.729 7.365 -1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.284 7.086 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.693 6.650 -2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.793 8.823 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.388 9.490 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 18 8.286 8.745 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.101 6.642 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.471 5.871 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.455 7.765 -7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.230 6.500 -7.307 1.00 0.00 H new ATOM 301 N ARG A 19 9.419 8.736 1.446 1.00 0.00 N ATOM 302 CA ARG A 19 10.361 8.850 2.551 1.00 0.00 C ATOM 303 C ARG A 19 9.662 8.427 3.827 1.00 0.00 C ATOM 304 O ARG A 19 10.181 7.555 4.513 1.00 0.00 O ATOM 305 CB ARG A 19 10.913 10.283 2.671 1.00 0.00 C ATOM 306 CG ARG A 19 12.359 10.425 2.201 1.00 0.00 C ATOM 307 CD ARG A 19 12.524 10.156 0.701 1.00 0.00 C ATOM 308 NE ARG A 19 13.777 10.758 0.242 1.00 0.00 N ATOM 309 CZ ARG A 19 14.983 10.199 0.163 1.00 0.00 C ATOM 310 NH1 ARG A 19 15.155 8.880 0.163 1.00 0.00 N ATOM 311 NH2 ARG A 19 16.037 11.001 0.123 1.00 0.00 N ATOM 0 H ARG A 19 9.326 9.599 0.911 1.00 0.00 H new ATOM 0 HA ARG A 19 11.215 8.198 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.283 10.955 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.845 10.603 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.713 11.431 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.988 9.733 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.530 9.083 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.682 10.573 0.149 1.00 0.00 H new ATOM 0 HE ARG A 19 13.719 11.732 -0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.347 8.260 0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.095 8.488 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.910 12.013 0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.976 10.607 0.062 1.00 0.00 H new ATOM 325 N ILE A 20 8.505 9.030 4.123 1.00 0.00 N ATOM 326 CA ILE A 20 7.735 8.719 5.313 1.00 0.00 C ATOM 327 C ILE A 20 7.462 7.217 5.332 1.00 0.00 C ATOM 328 O ILE A 20 8.019 6.561 6.200 1.00 0.00 O ATOM 329 CB ILE A 20 6.504 9.646 5.467 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.844 10.938 6.248 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.335 8.983 6.216 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.965 11.796 5.662 1.00 0.00 C ATOM 0 H ILE A 20 8.082 9.749 3.536 1.00 0.00 H new ATOM 0 HA ILE A 20 8.301 8.937 6.218 1.00 0.00 H new ATOM 0 HB ILE A 20 6.211 9.870 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.943 11.547 6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.118 10.663 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.505 9.686 6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.012 8.095 5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.659 8.698 7.217 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.117 12.674 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.886 11.214 5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.692 12.113 4.655 1.00 0.00 H new ATOM 344 N VAL A 21 6.663 6.658 4.419 1.00 0.00 N ATOM 345 CA VAL A 21 6.246 5.256 4.460 1.00 0.00 C ATOM 346 C VAL A 21 7.459 4.325 4.595 1.00 0.00 C ATOM 347 O VAL A 21 7.445 3.455 5.469 1.00 0.00 O ATOM 348 CB VAL A 21 5.391 4.926 3.215 1.00 0.00 C ATOM 349 CG1 VAL A 21 5.126 3.420 3.075 1.00 0.00 C ATOM 350 CG2 VAL A 21 4.029 5.642 3.265 1.00 0.00 C ATOM 0 H VAL A 21 6.284 7.172 3.623 1.00 0.00 H new ATOM 0 HA VAL A 21 5.628 5.092 5.343 1.00 0.00 H new ATOM 0 HB VAL A 21 5.969 5.273 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.522 3.238 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.074 2.891 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.593 3.061 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.452 5.389 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.483 5.325 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.186 6.720 3.301 1.00 0.00 H new ATOM 360 N ARG A 22 8.511 4.506 3.783 1.00 0.00 N ATOM 361 CA ARG A 22 9.727 3.697 3.888 1.00 0.00 C ATOM 362 C ARG A 22 10.293 3.796 5.297 1.00 0.00 C ATOM 363 O ARG A 22 10.643 2.777 5.885 1.00 0.00 O ATOM 364 CB ARG A 22 10.780 4.156 2.866 1.00 0.00 C ATOM 365 CG ARG A 22 11.996 3.211 2.856 1.00 0.00 C ATOM 366 CD ARG A 22 13.196 3.829 2.137 1.00 0.00 C ATOM 367 NE ARG A 22 14.000 4.661 3.048 1.00 0.00 N ATOM 368 CZ ARG A 22 15.240 5.099 2.805 1.00 0.00 C ATOM 369 NH1 ARG A 22 15.799 4.933 1.610 1.00 0.00 N ATOM 370 NH2 ARG A 22 15.909 5.688 3.782 1.00 0.00 N ATOM 0 H ARG A 22 8.541 5.209 3.045 1.00 0.00 H new ATOM 0 HA ARG A 22 9.471 2.660 3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.335 4.190 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.105 5.169 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.274 2.967 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.724 2.275 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.819 3.038 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.848 4.435 1.301 1.00 0.00 H new ATOM 0 HE ARG A 22 13.576 4.925 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.281 4.467 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.746 5.272 1.438 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.478 5.801 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.856 6.029 3.618 1.00 0.00 H new ATOM 384 N ASN A 23 10.427 5.010 5.822 1.00 0.00 N ATOM 385 CA ASN A 23 10.991 5.221 7.141 1.00 0.00 C ATOM 386 C ASN A 23 10.123 4.570 8.208 1.00 0.00 C ATOM 387 O ASN A 23 10.664 3.882 9.059 1.00 0.00 O ATOM 388 CB ASN A 23 11.187 6.711 7.421 1.00 0.00 C ATOM 389 CG ASN A 23 12.126 6.887 8.596 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.322 6.649 8.439 1.00 0.00 O ATOM 391 ND2 ASN A 23 11.656 7.324 9.750 1.00 0.00 N ATOM 0 H ASN A 23 10.148 5.867 5.345 1.00 0.00 H new ATOM 0 HA ASN A 23 11.972 4.747 7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.594 7.207 6.540 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.227 7.180 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.289 7.471 10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.660 7.514 9.856 1.00 0.00 H new ATOM 398 N LEU A 24 8.796 4.722 8.148 1.00 0.00 N ATOM 399 CA LEU A 24 7.853 4.101 9.083 1.00 0.00 C ATOM 400 C LEU A 24 8.038 2.585 9.089 1.00 0.00 C ATOM 401 O LEU A 24 8.067 1.974 10.154 1.00 0.00 O ATOM 402 CB LEU A 24 6.389 4.435 8.735 1.00 0.00 C ATOM 403 CG LEU A 24 6.014 5.928 8.716 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.539 6.093 8.344 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.423 6.670 9.989 1.00 0.00 C ATOM 0 H LEU A 24 8.339 5.291 7.435 1.00 0.00 H new ATOM 0 HA LEU A 24 8.066 4.506 10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.166 4.014 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.743 3.930 9.453 1.00 0.00 H new ATOM 0 HG LEU A 24 6.600 6.416 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.283 7.152 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.363 5.667 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.919 5.577 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.130 7.717 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.928 6.218 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.503 6.605 10.117 1.00 0.00 H new ATOM 417 N LEU A 25 8.177 1.982 7.906 1.00 0.00 N ATOM 418 CA LEU A 25 8.495 0.568 7.753 1.00 0.00 C ATOM 419 C LEU A 25 9.841 0.231 8.399 1.00 0.00 C ATOM 420 O LEU A 25 9.926 -0.774 9.104 1.00 0.00 O ATOM 421 CB LEU A 25 8.457 0.197 6.260 1.00 0.00 C ATOM 422 CG LEU A 25 7.018 -0.084 5.797 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.881 0.105 4.286 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.591 -1.508 6.163 1.00 0.00 C ATOM 0 H LEU A 25 8.070 2.472 7.018 1.00 0.00 H new ATOM 0 HA LEU A 25 7.747 -0.030 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.881 1.009 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.077 -0.682 6.084 1.00 0.00 H new ATOM 0 HG LEU A 25 6.370 0.628 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.854 -0.100 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.138 1.131 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.553 -0.581 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.569 -1.680 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.258 -2.223 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.641 -1.636 7.244 1.00 0.00 H new ATOM 436 N LYS A 26 10.872 1.063 8.224 1.00 0.00 N ATOM 437 CA LYS A 26 12.172 0.869 8.872 1.00 0.00 C ATOM 438 C LYS A 26 12.057 0.948 10.386 1.00 0.00 C ATOM 439 O LYS A 26 12.746 0.191 11.064 1.00 0.00 O ATOM 440 CB LYS A 26 13.214 1.875 8.364 1.00 0.00 C ATOM 441 CG LYS A 26 13.517 1.714 6.865 1.00 0.00 C ATOM 442 CD LYS A 26 14.960 1.282 6.597 1.00 0.00 C ATOM 443 CE LYS A 26 15.261 -0.136 7.102 1.00 0.00 C ATOM 444 NZ LYS A 26 16.689 -0.480 6.916 1.00 0.00 N ATOM 0 H LYS A 26 10.829 1.890 7.629 1.00 0.00 H new ATOM 0 HA LYS A 26 12.511 -0.133 8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.856 2.887 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.137 1.753 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.836 0.977 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.324 2.659 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.156 1.330 5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.640 1.986 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.001 -0.211 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.639 -0.854 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.862 -1.444 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.929 -0.431 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.280 0.192 7.446 1.00 0.00 H new ATOM 458 N GLU A 27 11.184 1.796 10.930 1.00 0.00 N ATOM 459 CA GLU A 27 10.941 1.897 12.371 1.00 0.00 C ATOM 460 C GLU A 27 10.222 0.647 12.910 1.00 0.00 C ATOM 461 O GLU A 27 9.999 0.531 14.119 1.00 0.00 O ATOM 462 CB GLU A 27 10.134 3.165 12.717 1.00 0.00 C ATOM 463 CG GLU A 27 10.642 4.455 12.051 1.00 0.00 C ATOM 464 CD GLU A 27 10.629 5.658 12.980 1.00 0.00 C ATOM 465 OE1 GLU A 27 11.546 5.772 13.825 1.00 0.00 O ATOM 466 OE2 GLU A 27 9.727 6.515 12.854 1.00 0.00 O ATOM 0 H GLU A 27 10.619 2.440 10.377 1.00 0.00 H new ATOM 0 HA GLU A 27 11.915 1.966 12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.095 3.008 12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.146 3.302 13.798 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.658 4.294 11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.026 4.672 11.179 1.00 0.00 H new ATOM 473 N LEU A 28 9.832 -0.277 12.027 1.00 0.00 N ATOM 474 CA LEU A 28 9.168 -1.548 12.285 1.00 0.00 C ATOM 475 C LEU A 28 9.936 -2.718 11.656 1.00 0.00 C ATOM 476 O LEU A 28 9.391 -3.819 11.553 1.00 0.00 O ATOM 477 CB LEU A 28 7.720 -1.461 11.772 1.00 0.00 C ATOM 478 CG LEU A 28 6.897 -0.469 12.606 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.626 -0.072 11.862 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.514 -1.067 13.966 1.00 0.00 C ATOM 0 H LEU A 28 9.989 -0.138 11.029 1.00 0.00 H new ATOM 0 HA LEU A 28 9.150 -1.742 13.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.719 -1.151 10.727 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.257 -2.447 11.812 1.00 0.00 H new ATOM 0 HG LEU A 28 7.518 0.412 12.770 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.055 0.632 12.468 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.891 0.397 10.914 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.023 -0.960 11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.932 -0.340 14.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.919 -1.968 13.813 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.418 -1.319 14.520 1.00 0.00 H new ATOM 492 N GLY A 29 11.196 -2.519 11.263 1.00 0.00 N ATOM 493 CA GLY A 29 12.098 -3.595 10.866 1.00 0.00 C ATOM 494 C GLY A 29 12.007 -3.997 9.399 1.00 0.00 C ATOM 495 O GLY A 29 12.712 -4.921 8.997 1.00 0.00 O ATOM 0 H GLY A 29 11.621 -1.593 11.212 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.122 -3.290 11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.890 -4.470 11.482 1.00 0.00 H new ATOM 499 N PHE A 30 11.173 -3.342 8.593 1.00 0.00 N ATOM 500 CA PHE A 30 11.018 -3.657 7.177 1.00 0.00 C ATOM 501 C PHE A 30 11.865 -2.699 6.325 1.00 0.00 C ATOM 502 O PHE A 30 12.339 -1.668 6.811 1.00 0.00 O ATOM 503 CB PHE A 30 9.527 -3.604 6.833 1.00 0.00 C ATOM 504 CG PHE A 30 8.687 -4.671 7.517 1.00 0.00 C ATOM 505 CD1 PHE A 30 8.792 -6.018 7.115 1.00 0.00 C ATOM 506 CD2 PHE A 30 7.799 -4.326 8.555 1.00 0.00 C ATOM 507 CE1 PHE A 30 7.990 -7.003 7.721 1.00 0.00 C ATOM 508 CE2 PHE A 30 7.009 -5.315 9.168 1.00 0.00 C ATOM 509 CZ PHE A 30 7.093 -6.651 8.743 1.00 0.00 C ATOM 0 H PHE A 30 10.582 -2.572 8.908 1.00 0.00 H new ATOM 0 HA PHE A 30 11.381 -4.661 6.957 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.138 -2.623 7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.412 -3.704 5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.490 -6.295 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.725 -3.299 8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.064 -8.031 7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.335 -5.046 9.968 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.470 -7.405 9.201 1.00 0.00 H new ATOM 519 N ASN A 31 12.110 -3.040 5.058 1.00 0.00 N ATOM 520 CA ASN A 31 13.013 -2.315 4.163 1.00 0.00 C ATOM 521 C ASN A 31 12.681 -2.640 2.696 1.00 0.00 C ATOM 522 O ASN A 31 11.569 -3.069 2.406 1.00 0.00 O ATOM 523 CB ASN A 31 14.480 -2.631 4.532 1.00 0.00 C ATOM 524 CG ASN A 31 15.029 -3.919 3.922 1.00 0.00 C ATOM 525 OD1 ASN A 31 14.459 -4.999 4.060 1.00 0.00 O ATOM 526 ND2 ASN A 31 16.167 -3.814 3.272 1.00 0.00 N ATOM 0 H ASN A 31 11.674 -3.849 4.615 1.00 0.00 H new ATOM 0 HA ASN A 31 12.876 -1.241 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.108 -1.798 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.561 -2.696 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.601 -4.643 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.616 -2.904 3.174 1.00 0.00 H new ATOM 533 N ASN A 32 13.624 -2.404 1.771 1.00 0.00 N ATOM 534 CA ASN A 32 13.621 -2.925 0.395 1.00 0.00 C ATOM 535 C ASN A 32 12.396 -2.494 -0.405 1.00 0.00 C ATOM 536 O ASN A 32 11.866 -3.221 -1.246 1.00 0.00 O ATOM 537 CB ASN A 32 13.923 -4.444 0.361 1.00 0.00 C ATOM 538 CG ASN A 32 15.328 -4.721 -0.153 1.00 0.00 C ATOM 539 OD1 ASN A 32 16.262 -3.980 0.140 1.00 0.00 O ATOM 540 ND2 ASN A 32 15.525 -5.788 -0.905 1.00 0.00 N ATOM 0 H ASN A 32 14.440 -1.824 1.968 1.00 0.00 H new ATOM 0 HA ASN A 32 14.449 -2.455 -0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.812 -4.861 1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.195 -4.947 -0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.461 -6.004 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.742 -6.397 -1.142 1.00 0.00 H new ATOM 547 N VAL A 33 11.967 -1.256 -0.173 1.00 0.00 N ATOM 548 CA VAL A 33 10.895 -0.664 -0.940 1.00 0.00 C ATOM 549 C VAL A 33 11.268 -0.597 -2.424 1.00 0.00 C ATOM 550 O VAL A 33 12.437 -0.404 -2.775 1.00 0.00 O ATOM 551 CB VAL A 33 10.521 0.717 -0.374 1.00 0.00 C ATOM 552 CG1 VAL A 33 9.928 0.573 1.039 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.711 1.691 -0.345 1.00 0.00 C ATOM 0 H VAL A 33 12.354 -0.646 0.547 1.00 0.00 H new ATOM 0 HA VAL A 33 10.011 -1.297 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 33 9.775 1.140 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.668 1.558 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.033 -0.048 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.662 0.107 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.388 2.648 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.503 1.279 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.086 1.837 -1.358 1.00 0.00 H new ATOM 563 N GLU A 34 10.279 -0.747 -3.287 1.00 0.00 N ATOM 564 CA GLU A 34 10.283 -0.306 -4.668 1.00 0.00 C ATOM 565 C GLU A 34 9.285 0.848 -4.698 1.00 0.00 C ATOM 566 O GLU A 34 8.450 0.963 -3.795 1.00 0.00 O ATOM 567 CB GLU A 34 9.791 -1.441 -5.580 1.00 0.00 C ATOM 568 CG GLU A 34 10.273 -1.333 -7.039 1.00 0.00 C ATOM 569 CD GLU A 34 11.770 -1.566 -7.231 1.00 0.00 C ATOM 570 OE1 GLU A 34 12.431 -2.155 -6.351 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.321 -1.131 -8.271 1.00 0.00 O ATOM 0 H GLU A 34 9.405 -1.205 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 34 11.275 -0.015 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.125 -2.393 -5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.701 -1.454 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.725 -2.056 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.021 -0.343 -7.419 1.00 0.00 H new ATOM 578 N GLU A 35 9.265 1.623 -5.774 1.00 0.00 N ATOM 579 CA GLU A 35 8.143 2.496 -6.042 1.00 0.00 C ATOM 580 C GLU A 35 7.566 2.162 -7.405 1.00 0.00 C ATOM 581 O GLU A 35 8.169 1.426 -8.191 1.00 0.00 O ATOM 582 CB GLU A 35 8.541 3.970 -5.919 1.00 0.00 C ATOM 583 CG GLU A 35 9.008 4.353 -4.507 1.00 0.00 C ATOM 584 CD GLU A 35 10.525 4.462 -4.352 1.00 0.00 C ATOM 585 OE1 GLU A 35 11.130 5.389 -4.950 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.144 3.750 -3.528 1.00 0.00 O ATOM 0 H GLU A 35 10.011 1.661 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 35 7.368 2.332 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.339 4.185 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.691 4.594 -6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.558 5.308 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.635 3.612 -3.800 1.00 0.00 H new ATOM 593 N ALA A 36 6.397 2.727 -7.676 1.00 0.00 N ATOM 594 CA ALA A 36 5.889 2.889 -9.016 1.00 0.00 C ATOM 595 C ALA A 36 5.544 4.366 -9.192 1.00 0.00 C ATOM 596 O ALA A 36 5.432 5.109 -8.205 1.00 0.00 O ATOM 597 CB ALA A 36 4.688 1.971 -9.245 1.00 0.00 C ATOM 0 H ALA A 36 5.772 3.088 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 36 6.630 2.603 -9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.316 2.105 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.991 0.934 -9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.900 2.219 -8.534 1.00 0.00 H new ATOM 603 N GLU A 37 5.360 4.800 -10.433 1.00 0.00 N ATOM 604 CA GLU A 37 4.913 6.148 -10.742 1.00 0.00 C ATOM 605 C GLU A 37 3.423 6.301 -10.442 1.00 0.00 C ATOM 606 O GLU A 37 2.990 7.375 -10.026 1.00 0.00 O ATOM 607 CB GLU A 37 5.180 6.473 -12.219 1.00 0.00 C ATOM 608 CG GLU A 37 6.661 6.289 -12.573 1.00 0.00 C ATOM 609 CD GLU A 37 7.062 7.145 -13.767 1.00 0.00 C ATOM 610 OE1 GLU A 37 7.257 8.370 -13.594 1.00 0.00 O ATOM 611 OE2 GLU A 37 7.242 6.609 -14.886 1.00 0.00 O ATOM 0 H GLU A 37 5.519 4.221 -11.257 1.00 0.00 H new ATOM 0 HA GLU A 37 5.472 6.844 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.570 5.828 -12.851 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.879 7.500 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.277 6.552 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.855 5.240 -12.795 1.00 0.00 H new ATOM 618 N ASP A 38 2.638 5.250 -10.669 1.00 0.00 N ATOM 619 CA ASP A 38 1.182 5.251 -10.639 1.00 0.00 C ATOM 620 C ASP A 38 0.695 3.803 -10.646 1.00 0.00 C ATOM 621 O ASP A 38 1.504 2.889 -10.777 1.00 0.00 O ATOM 622 CB ASP A 38 0.610 6.018 -11.843 1.00 0.00 C ATOM 623 CG ASP A 38 0.975 5.436 -13.213 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.784 4.224 -13.435 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.427 6.211 -14.087 1.00 0.00 O ATOM 0 H ASP A 38 3.022 4.331 -10.889 1.00 0.00 H new ATOM 0 HA ASP A 38 0.837 5.754 -9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.476 6.046 -11.754 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.960 7.049 -11.798 1.00 0.00 H new ATOM 630 N GLY A 39 -0.609 3.573 -10.485 1.00 0.00 N ATOM 631 CA GLY A 39 -1.223 2.252 -10.502 1.00 0.00 C ATOM 632 C GLY A 39 -0.968 1.405 -11.761 1.00 0.00 C ATOM 633 O GLY A 39 -0.970 0.178 -11.660 1.00 0.00 O ATOM 0 H GLY A 39 -1.283 4.324 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.865 1.696 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.300 2.372 -10.381 1.00 0.00 H new ATOM 637 N VAL A 40 -0.761 1.991 -12.942 1.00 0.00 N ATOM 638 CA VAL A 40 -0.454 1.228 -14.152 1.00 0.00 C ATOM 639 C VAL A 40 0.952 0.649 -13.981 1.00 0.00 C ATOM 640 O VAL A 40 1.167 -0.554 -14.153 1.00 0.00 O ATOM 641 CB VAL A 40 -0.564 2.106 -15.423 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.435 1.241 -16.683 1.00 0.00 C ATOM 643 CG2 VAL A 40 -1.893 2.877 -15.497 1.00 0.00 C ATOM 0 H VAL A 40 -0.801 3.000 -13.086 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.177 0.423 -14.286 1.00 0.00 H new ATOM 0 HB VAL A 40 0.250 2.829 -15.367 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.514 1.873 -17.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.532 0.738 -16.682 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.231 0.496 -16.696 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.916 3.476 -16.408 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.723 2.171 -15.506 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.983 3.532 -14.630 1.00 0.00 H new ATOM 653 N ASP A 41 1.903 1.505 -13.601 1.00 0.00 N ATOM 654 CA ASP A 41 3.252 1.091 -13.233 1.00 0.00 C ATOM 655 C ASP A 41 3.223 0.142 -12.031 1.00 0.00 C ATOM 656 O ASP A 41 4.009 -0.799 -11.959 1.00 0.00 O ATOM 657 CB ASP A 41 4.123 2.337 -12.989 1.00 0.00 C ATOM 658 CG ASP A 41 5.604 1.997 -12.800 1.00 0.00 C ATOM 659 OD1 ASP A 41 6.075 0.970 -13.327 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.341 2.789 -12.163 1.00 0.00 O ATOM 0 H ASP A 41 1.754 2.512 -13.541 1.00 0.00 H new ATOM 0 HA ASP A 41 3.701 0.529 -14.052 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.016 3.020 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.760 2.862 -12.105 1.00 0.00 H new ATOM 665 N ALA A 42 2.266 0.305 -11.111 1.00 0.00 N ATOM 666 CA ALA A 42 2.174 -0.513 -9.924 1.00 0.00 C ATOM 667 C ALA A 42 1.909 -1.945 -10.331 1.00 0.00 C ATOM 668 O ALA A 42 2.656 -2.832 -9.929 1.00 0.00 O ATOM 669 CB ALA A 42 1.081 -0.013 -8.981 1.00 0.00 C ATOM 0 H ALA A 42 1.536 1.014 -11.181 1.00 0.00 H new ATOM 0 HA ALA A 42 3.118 -0.452 -9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.041 -0.652 -8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.302 1.010 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.119 -0.040 -9.493 1.00 0.00 H new ATOM 675 N LEU A 43 0.875 -2.162 -11.151 1.00 0.00 N ATOM 676 CA LEU A 43 0.501 -3.486 -11.620 1.00 0.00 C ATOM 677 C LEU A 43 1.664 -4.144 -12.367 1.00 0.00 C ATOM 678 O LEU A 43 1.856 -5.360 -12.271 1.00 0.00 O ATOM 679 CB LEU A 43 -0.756 -3.412 -12.502 1.00 0.00 C ATOM 680 CG LEU A 43 -1.593 -4.695 -12.333 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.545 -4.569 -11.137 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.380 -5.021 -13.605 1.00 0.00 C ATOM 0 H LEU A 43 0.276 -1.416 -11.505 1.00 0.00 H new ATOM 0 HA LEU A 43 0.267 -4.106 -10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.351 -2.541 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.471 -3.289 -13.547 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.901 -5.516 -12.145 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.126 -5.486 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.967 -4.404 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.219 -3.728 -11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.959 -5.932 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.054 -4.197 -13.837 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.687 -5.167 -14.434 1.00 0.00 H new ATOM 694 N ASN A 44 2.453 -3.352 -13.103 1.00 0.00 N ATOM 695 CA ASN A 44 3.669 -3.833 -13.748 1.00 0.00 C ATOM 696 C ASN A 44 4.700 -4.297 -12.717 1.00 0.00 C ATOM 697 O ASN A 44 5.277 -5.370 -12.899 1.00 0.00 O ATOM 698 CB ASN A 44 4.263 -2.772 -14.684 1.00 0.00 C ATOM 699 CG ASN A 44 5.609 -3.250 -15.200 1.00 0.00 C ATOM 700 OD1 ASN A 44 6.659 -2.841 -14.715 1.00 0.00 O ATOM 701 ND2 ASN A 44 5.628 -4.182 -16.131 1.00 0.00 N ATOM 0 H ASN A 44 2.262 -2.363 -13.265 1.00 0.00 H new ATOM 0 HA ASN A 44 3.396 -4.696 -14.356 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.586 -2.587 -15.518 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.380 -1.827 -14.153 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.517 -4.566 -16.451 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.753 -4.520 -16.532 1.00 0.00 H new ATOM 708 N LYS A 45 4.927 -3.540 -11.637 1.00 0.00 N ATOM 709 CA LYS A 45 5.820 -3.961 -10.555 1.00 0.00 C ATOM 710 C LYS A 45 5.312 -5.230 -9.870 1.00 0.00 C ATOM 711 O LYS A 45 6.123 -6.089 -9.538 1.00 0.00 O ATOM 712 CB LYS A 45 6.044 -2.842 -9.522 1.00 0.00 C ATOM 713 CG LYS A 45 7.247 -1.940 -9.841 1.00 0.00 C ATOM 714 CD LYS A 45 6.942 -0.910 -10.931 1.00 0.00 C ATOM 715 CE LYS A 45 8.100 0.067 -11.170 1.00 0.00 C ATOM 716 NZ LYS A 45 9.106 -0.465 -12.113 1.00 0.00 N ATOM 0 H LYS A 45 4.500 -2.625 -11.490 1.00 0.00 H new ATOM 0 HA LYS A 45 6.783 -4.184 -11.015 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.145 -2.228 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.188 -3.290 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.557 -1.421 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.086 -2.559 -10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.714 -1.430 -11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.050 -0.348 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.704 1.006 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.582 0.293 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.866 0.233 -12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.506 -1.347 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.655 -0.656 -13.030 1.00 0.00 H new ATOM 730 N LEU A 46 4.001 -5.405 -9.658 1.00 0.00 N ATOM 731 CA LEU A 46 3.483 -6.655 -9.073 1.00 0.00 C ATOM 732 C LEU A 46 3.859 -7.818 -9.978 1.00 0.00 C ATOM 733 O LEU A 46 4.394 -8.828 -9.518 1.00 0.00 O ATOM 734 CB LEU A 46 1.955 -6.658 -8.850 1.00 0.00 C ATOM 735 CG LEU A 46 1.356 -5.361 -8.325 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.136 -5.541 -8.120 1.00 0.00 C ATOM 737 CD2 LEU A 46 2.000 -4.831 -7.048 1.00 0.00 C ATOM 0 H LEU A 46 3.287 -4.711 -9.878 1.00 0.00 H new ATOM 0 HA LEU A 46 3.938 -6.750 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.470 -6.903 -9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.711 -7.457 -8.150 1.00 0.00 H new ATOM 0 HG LEU A 46 1.559 -4.606 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.566 -4.613 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.605 -5.800 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.310 -6.340 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.508 -3.905 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.895 -5.570 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.058 -4.639 -7.227 1.00 0.00 H new ATOM 749 N GLN A 47 3.633 -7.639 -11.279 1.00 0.00 N ATOM 750 CA GLN A 47 4.003 -8.576 -12.327 1.00 0.00 C ATOM 751 C GLN A 47 5.512 -8.494 -12.653 1.00 0.00 C ATOM 752 O GLN A 47 5.923 -8.775 -13.780 1.00 0.00 O ATOM 753 CB GLN A 47 3.054 -8.372 -13.527 1.00 0.00 C ATOM 754 CG GLN A 47 1.599 -8.742 -13.147 1.00 0.00 C ATOM 755 CD GLN A 47 0.563 -8.445 -14.235 1.00 0.00 C ATOM 756 OE1 GLN A 47 0.892 -8.194 -15.392 1.00 0.00 O ATOM 757 NE2 GLN A 47 -0.712 -8.363 -13.887 1.00 0.00 N ATOM 0 H GLN A 47 3.170 -6.805 -11.640 1.00 0.00 H new ATOM 0 HA GLN A 47 3.871 -9.606 -11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.096 -7.334 -13.857 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.383 -8.986 -14.365 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.559 -9.804 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.324 -8.199 -12.243 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.993 -8.570 -12.929 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.413 -8.093 -14.577 1.00 0.00 H new ATOM 766 N ALA A 48 6.359 -8.127 -11.679 1.00 0.00 N ATOM 767 CA ALA A 48 7.798 -8.379 -11.636 1.00 0.00 C ATOM 768 C ALA A 48 8.103 -9.476 -10.598 1.00 0.00 C ATOM 769 O ALA A 48 9.138 -9.451 -9.924 1.00 0.00 O ATOM 770 CB ALA A 48 8.556 -7.083 -11.331 1.00 0.00 C ATOM 0 H ALA A 48 6.035 -7.618 -10.857 1.00 0.00 H new ATOM 0 HA ALA A 48 8.135 -8.733 -12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.627 -7.286 -11.302 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.347 -6.348 -12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.235 -6.692 -10.366 1.00 0.00 H new ATOM 776 N GLY A 49 7.185 -10.433 -10.432 1.00 0.00 N ATOM 777 CA GLY A 49 7.466 -11.688 -9.748 1.00 0.00 C ATOM 778 C GLY A 49 6.806 -11.807 -8.380 1.00 0.00 C ATOM 779 O GLY A 49 7.247 -12.644 -7.587 1.00 0.00 O ATOM 0 H GLY A 49 6.226 -10.354 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.132 -12.515 -10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.545 -11.793 -9.630 1.00 0.00 H new ATOM 783 N GLY A 50 5.764 -11.022 -8.090 1.00 0.00 N ATOM 784 CA GLY A 50 4.986 -11.152 -6.867 1.00 0.00 C ATOM 785 C GLY A 50 5.740 -10.508 -5.714 1.00 0.00 C ATOM 786 O GLY A 50 6.471 -11.179 -4.979 1.00 0.00 O ATOM 0 H GLY A 50 5.439 -10.276 -8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.013 -10.676 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.801 -12.204 -6.652 1.00 0.00 H new ATOM 790 N TYR A 51 5.610 -9.189 -5.583 1.00 0.00 N ATOM 791 CA TYR A 51 6.171 -8.438 -4.462 1.00 0.00 C ATOM 792 C TYR A 51 5.411 -8.779 -3.174 1.00 0.00 C ATOM 793 O TYR A 51 4.363 -9.425 -3.221 1.00 0.00 O ATOM 794 CB TYR A 51 6.095 -6.936 -4.772 1.00 0.00 C ATOM 795 CG TYR A 51 7.056 -6.389 -5.819 1.00 0.00 C ATOM 796 CD1 TYR A 51 7.781 -7.204 -6.716 1.00 0.00 C ATOM 797 CD2 TYR A 51 7.235 -4.998 -5.872 1.00 0.00 C ATOM 798 CE1 TYR A 51 8.690 -6.629 -7.624 1.00 0.00 C ATOM 799 CE2 TYR A 51 8.107 -4.416 -6.803 1.00 0.00 C ATOM 800 CZ TYR A 51 8.851 -5.228 -7.682 1.00 0.00 C ATOM 801 OH TYR A 51 9.749 -4.650 -8.526 1.00 0.00 O ATOM 0 H TYR A 51 5.110 -8.608 -6.256 1.00 0.00 H new ATOM 0 HA TYR A 51 7.216 -8.710 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.079 -6.709 -5.096 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.263 -6.391 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.637 -8.274 -6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.692 -4.366 -5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.268 -7.263 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.209 -3.342 -6.847 1.00 0.00 H new ATOM 0 HH TYR A 51 9.279 -4.053 -9.145 1.00 0.00 H new ATOM 811 N GLY A 52 5.911 -8.337 -2.017 1.00 0.00 N ATOM 812 CA GLY A 52 5.260 -8.589 -0.742 1.00 0.00 C ATOM 813 C GLY A 52 4.051 -7.694 -0.517 1.00 0.00 C ATOM 814 O GLY A 52 3.051 -8.145 0.034 1.00 0.00 O ATOM 0 H GLY A 52 6.774 -7.798 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.949 -9.633 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.977 -8.435 0.065 1.00 0.00 H new ATOM 818 N PHE A 53 4.156 -6.418 -0.890 1.00 0.00 N ATOM 819 CA PHE A 53 3.205 -5.393 -0.486 1.00 0.00 C ATOM 820 C PHE A 53 2.897 -4.443 -1.621 1.00 0.00 C ATOM 821 O PHE A 53 3.737 -4.242 -2.501 1.00 0.00 O ATOM 822 CB PHE A 53 3.777 -4.588 0.686 1.00 0.00 C ATOM 823 CG PHE A 53 3.410 -5.101 2.054 1.00 0.00 C ATOM 824 CD1 PHE A 53 4.034 -6.245 2.582 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.482 -4.386 2.831 1.00 0.00 C ATOM 826 CE1 PHE A 53 3.728 -6.679 3.882 1.00 0.00 C ATOM 827 CE2 PHE A 53 2.204 -4.798 4.140 1.00 0.00 C ATOM 828 CZ PHE A 53 2.817 -5.952 4.664 1.00 0.00 C ATOM 0 H PHE A 53 4.908 -6.069 -1.484 1.00 0.00 H new ATOM 0 HA PHE A 53 2.284 -5.896 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.864 -4.573 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.436 -3.556 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.750 -6.791 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.984 -3.521 2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.192 -7.570 4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.517 -4.229 4.749 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.586 -6.278 5.668 1.00 0.00 H new ATOM 838 N VAL A 54 1.724 -3.815 -1.537 1.00 0.00 N ATOM 839 CA VAL A 54 1.215 -2.895 -2.539 1.00 0.00 C ATOM 840 C VAL A 54 0.683 -1.684 -1.776 1.00 0.00 C ATOM 841 O VAL A 54 -0.528 -1.507 -1.608 1.00 0.00 O ATOM 842 CB VAL A 54 0.149 -3.601 -3.408 1.00 0.00 C ATOM 843 CG1 VAL A 54 -0.013 -2.897 -4.755 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.479 -5.062 -3.680 1.00 0.00 C ATOM 0 H VAL A 54 1.090 -3.939 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 54 1.982 -2.564 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.776 -3.552 -2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.769 -3.414 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.323 -1.865 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.937 -2.910 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.305 -5.504 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.432 -5.128 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.547 -5.602 -2.735 1.00 0.00 H new ATOM 854 N ILE A 55 1.582 -0.883 -1.208 1.00 0.00 N ATOM 855 CA ILE A 55 1.180 0.269 -0.417 1.00 0.00 C ATOM 856 C ILE A 55 0.993 1.364 -1.480 1.00 0.00 C ATOM 857 O ILE A 55 1.859 1.530 -2.345 1.00 0.00 O ATOM 858 CB ILE A 55 2.291 0.572 0.611 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.175 -0.427 1.789 1.00 0.00 C ATOM 860 CG2 ILE A 55 2.058 1.976 1.201 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.454 -0.556 2.632 1.00 0.00 C ATOM 0 H ILE A 55 2.591 -1.013 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 55 0.272 0.148 0.174 1.00 0.00 H new ATOM 0 HB ILE A 55 3.262 0.500 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.356 -0.115 2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.913 -1.409 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.838 2.199 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.086 2.716 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.085 2.008 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.289 -1.274 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.273 -0.900 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.708 0.414 3.059 1.00 0.00 H new ATOM 873 N SER A 56 -0.129 2.078 -1.509 1.00 0.00 N ATOM 874 CA SER A 56 -0.371 3.112 -2.523 1.00 0.00 C ATOM 875 C SER A 56 -1.271 4.207 -1.965 1.00 0.00 C ATOM 876 O SER A 56 -1.998 3.956 -1.005 1.00 0.00 O ATOM 877 CB SER A 56 -0.983 2.476 -3.783 1.00 0.00 C ATOM 878 OG SER A 56 -0.195 1.379 -4.232 1.00 0.00 O ATOM 0 H SER A 56 -0.891 1.962 -0.841 1.00 0.00 H new ATOM 0 HA SER A 56 0.579 3.572 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.997 2.137 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.057 3.223 -4.573 1.00 0.00 H new ATOM 0 HG SER A 56 -0.399 1.193 -5.172 1.00 0.00 H new ATOM 884 N ASP A 57 -1.229 5.405 -2.548 1.00 0.00 N ATOM 885 CA ASP A 57 -2.200 6.456 -2.253 1.00 0.00 C ATOM 886 C ASP A 57 -3.527 6.097 -2.911 1.00 0.00 C ATOM 887 O ASP A 57 -3.620 5.152 -3.695 1.00 0.00 O ATOM 888 CB ASP A 57 -1.696 7.831 -2.733 1.00 0.00 C ATOM 889 CG ASP A 57 -2.310 9.038 -2.005 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.525 9.311 -2.150 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.564 9.750 -1.297 1.00 0.00 O ATOM 0 H ASP A 57 -0.524 5.672 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.338 6.528 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.613 7.866 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.903 7.925 -3.799 1.00 0.00 H new ATOM 896 N TRP A 58 -4.567 6.863 -2.607 1.00 0.00 N ATOM 897 CA TRP A 58 -5.724 6.910 -3.459 1.00 0.00 C ATOM 898 C TRP A 58 -5.343 7.555 -4.788 1.00 0.00 C ATOM 899 O TRP A 58 -5.554 6.963 -5.840 1.00 0.00 O ATOM 900 CB TRP A 58 -6.865 7.699 -2.793 1.00 0.00 C ATOM 901 CG TRP A 58 -8.136 7.594 -3.575 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.342 8.067 -4.827 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.318 6.810 -3.260 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.496 7.535 -5.347 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.154 6.773 -4.412 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.724 6.067 -2.137 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.340 6.038 -4.446 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.899 5.293 -2.166 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.707 5.301 -3.315 1.00 0.00 C ATOM 0 H TRP A 58 -4.623 7.454 -1.778 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.077 5.893 -3.633 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -7.027 7.323 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.579 8.747 -2.702 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -7.694 8.761 -5.341 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -9.822 7.686 -6.302 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -9.125 6.091 -1.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -11.962 6.038 -5.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -11.178 4.696 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.624 4.730 -3.325 1.00 0.00 H new ATOM 920 N ASN A 59 -4.858 8.799 -4.747 1.00 0.00 N ATOM 921 CA ASN A 59 -4.887 9.685 -5.910 1.00 0.00 C ATOM 922 C ASN A 59 -3.799 9.405 -6.944 1.00 0.00 C ATOM 923 O ASN A 59 -2.890 10.220 -7.114 1.00 0.00 O ATOM 924 CB ASN A 59 -4.893 11.153 -5.444 1.00 0.00 C ATOM 925 CG ASN A 59 -5.279 12.091 -6.583 1.00 0.00 C ATOM 926 OD1 ASN A 59 -5.987 11.715 -7.516 1.00 0.00 O ATOM 927 ND2 ASN A 59 -4.906 13.354 -6.518 1.00 0.00 N ATOM 0 H ASN A 59 -4.439 9.215 -3.916 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.814 9.477 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.594 11.272 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.906 11.422 -5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.205 14.012 -7.238 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.319 13.673 -5.747 1.00 0.00 H new ATOM 934 N MET A 60 -3.907 8.297 -7.678 1.00 0.00 N ATOM 935 CA MET A 60 -3.010 7.991 -8.787 1.00 0.00 C ATOM 936 C MET A 60 -3.598 8.583 -10.071 1.00 0.00 C ATOM 937 O MET A 60 -4.820 8.755 -10.158 1.00 0.00 O ATOM 938 CB MET A 60 -2.842 6.467 -8.920 1.00 0.00 C ATOM 939 CG MET A 60 -1.676 5.903 -8.106 1.00 0.00 C ATOM 940 SD MET A 60 -1.665 6.259 -6.331 1.00 0.00 S ATOM 941 CE MET A 60 -0.417 7.574 -6.291 1.00 0.00 C ATOM 0 H MET A 60 -4.621 7.587 -7.518 1.00 0.00 H new ATOM 0 HA MET A 60 -2.027 8.426 -8.605 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.764 5.980 -8.603 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.694 6.217 -9.971 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.665 4.821 -8.235 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.749 6.284 -8.534 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.099 7.743 -5.262 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.443 7.278 -6.892 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.843 8.492 -6.695 1.00 0.00 H new ATOM 951 N PRO A 61 -2.775 8.897 -11.085 1.00 0.00 N ATOM 952 CA PRO A 61 -3.268 9.102 -12.435 1.00 0.00 C ATOM 953 C PRO A 61 -3.647 7.746 -13.047 1.00 0.00 C ATOM 954 O PRO A 61 -3.135 6.698 -12.649 1.00 0.00 O ATOM 955 CB PRO A 61 -2.106 9.763 -13.182 1.00 0.00 C ATOM 956 CG PRO A 61 -0.879 9.155 -12.512 1.00 0.00 C ATOM 957 CD PRO A 61 -1.323 8.990 -11.054 1.00 0.00 C ATOM 0 HA PRO A 61 -4.162 9.724 -12.481 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.134 9.542 -14.249 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.126 10.848 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.607 8.200 -12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.009 9.806 -12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.884 8.096 -10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.999 9.837 -10.449 1.00 0.00 H new ATOM 965 N ASN A 62 -4.479 7.794 -14.086 1.00 0.00 N ATOM 966 CA ASN A 62 -4.982 6.702 -14.914 1.00 0.00 C ATOM 967 C ASN A 62 -5.586 5.542 -14.123 1.00 0.00 C ATOM 968 O ASN A 62 -6.811 5.435 -14.031 1.00 0.00 O ATOM 969 CB ASN A 62 -3.939 6.265 -15.961 1.00 0.00 C ATOM 970 CG ASN A 62 -4.521 6.444 -17.348 1.00 0.00 C ATOM 971 OD1 ASN A 62 -4.205 7.410 -18.040 1.00 0.00 O ATOM 972 ND2 ASN A 62 -5.426 5.580 -17.768 1.00 0.00 N ATOM 0 H ASN A 62 -4.854 8.689 -14.399 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.833 7.102 -15.465 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.030 6.857 -15.856 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.661 5.223 -15.802 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.872 5.710 -18.676 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.679 4.783 -17.184 1.00 0.00 H new ATOM 979 N MET A 63 -4.762 4.658 -13.561 1.00 0.00 N ATOM 980 CA MET A 63 -5.205 3.643 -12.624 1.00 0.00 C ATOM 981 C MET A 63 -5.146 4.264 -11.233 1.00 0.00 C ATOM 982 O MET A 63 -4.205 4.040 -10.472 1.00 0.00 O ATOM 983 CB MET A 63 -4.378 2.361 -12.774 1.00 0.00 C ATOM 984 CG MET A 63 -4.912 1.244 -11.867 1.00 0.00 C ATOM 985 SD MET A 63 -5.353 -0.297 -12.716 1.00 0.00 S ATOM 986 CE MET A 63 -3.731 -1.099 -12.743 1.00 0.00 C ATOM 0 H MET A 63 -3.760 4.632 -13.750 1.00 0.00 H new ATOM 0 HA MET A 63 -6.230 3.329 -12.820 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.400 2.031 -13.813 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.336 2.566 -12.527 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.159 1.021 -11.111 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.792 1.615 -11.341 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.851 -2.155 -12.983 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.103 -0.625 -13.498 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.260 -1.000 -11.765 1.00 0.00 H new ATOM 996 N ASP A 64 -6.178 5.052 -10.935 1.00 0.00 N ATOM 997 CA ASP A 64 -6.508 5.573 -9.608 1.00 0.00 C ATOM 998 C ASP A 64 -6.508 4.422 -8.590 1.00 0.00 C ATOM 999 O ASP A 64 -6.791 3.273 -8.942 1.00 0.00 O ATOM 1000 CB ASP A 64 -7.881 6.240 -9.719 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.378 6.922 -8.452 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -7.594 7.668 -7.838 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.602 6.833 -8.163 1.00 0.00 O ATOM 0 H ASP A 64 -6.840 5.360 -11.647 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.776 6.303 -9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.844 6.979 -10.519 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.610 5.486 -10.016 1.00 0.00 H new ATOM 1008 N GLY A 65 -6.185 4.697 -7.328 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.764 3.676 -6.370 1.00 0.00 C ATOM 1010 C GLY A 65 -6.837 2.630 -6.073 1.00 0.00 C ATOM 1011 O GLY A 65 -6.516 1.480 -5.766 1.00 0.00 O ATOM 0 H GLY A 65 -6.208 5.640 -6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.877 3.174 -6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.476 4.162 -5.438 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.118 2.994 -6.193 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.206 2.039 -6.022 1.00 0.00 C ATOM 1017 C LEU A 66 -9.346 1.130 -7.243 1.00 0.00 C ATOM 1018 O LEU A 66 -9.706 -0.035 -7.091 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.526 2.767 -5.708 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.302 2.186 -4.528 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -11.778 0.762 -4.777 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -10.480 2.278 -3.246 1.00 0.00 C ATOM 0 H LEU A 66 -8.422 3.944 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.964 1.402 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.309 3.815 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.161 2.740 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.201 2.792 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.323 0.403 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.434 0.745 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.918 0.117 -4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.050 1.859 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.552 1.719 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.249 3.322 -3.036 1.00 0.00 H new ATOM 1034 N GLU A 67 -9.029 1.615 -8.445 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.970 0.770 -9.633 1.00 0.00 C ATOM 1036 C GLU A 67 -7.798 -0.205 -9.497 1.00 0.00 C ATOM 1037 O GLU A 67 -7.955 -1.380 -9.827 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.826 1.589 -10.929 1.00 0.00 C ATOM 1039 CG GLU A 67 -9.823 2.739 -11.140 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.295 2.344 -11.316 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.745 1.290 -10.810 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -12.059 3.144 -11.912 1.00 0.00 O ATOM 0 H GLU A 67 -8.808 2.596 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.911 0.225 -9.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.819 2.004 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.913 0.905 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.750 3.414 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.513 3.302 -12.020 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.645 0.247 -8.979 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.501 -0.628 -8.705 1.00 0.00 C ATOM 1051 C LEU A 68 -5.932 -1.767 -7.776 1.00 0.00 C ATOM 1052 O LEU A 68 -5.741 -2.936 -8.120 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.321 0.175 -8.122 1.00 0.00 C ATOM 1054 CG LEU A 68 -3.088 -0.685 -7.764 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.459 -1.367 -8.990 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -2.040 0.192 -7.072 1.00 0.00 C ATOM 0 H LEU A 68 -6.483 1.225 -8.740 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.154 -1.067 -9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.023 0.937 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.658 0.698 -7.227 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.429 -1.477 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.598 -1.957 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.194 -2.020 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.139 -0.608 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.169 -0.413 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.740 0.997 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.464 0.616 -6.162 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.575 -1.431 -6.649 1.00 0.00 N ATOM 1069 CA LEU A 69 -7.140 -2.399 -5.713 1.00 0.00 C ATOM 1070 C LEU A 69 -8.058 -3.355 -6.462 1.00 0.00 C ATOM 1071 O LEU A 69 -7.842 -4.561 -6.418 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.842 -1.678 -4.545 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.939 -2.452 -3.779 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.555 -3.830 -3.234 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.356 -1.644 -2.543 1.00 0.00 C ATOM 0 H LEU A 69 -6.717 -0.462 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.344 -2.995 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.078 -1.380 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.287 -0.763 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.716 -2.595 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.409 -4.268 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.258 -4.478 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.724 -3.727 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.130 -2.185 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.492 -1.498 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.743 -0.674 -2.856 1.00 0.00 H new ATOM 1087 N LYS A 70 -9.078 -2.858 -7.160 1.00 0.00 N ATOM 1088 CA LYS A 70 -10.065 -3.737 -7.792 1.00 0.00 C ATOM 1089 C LYS A 70 -9.443 -4.624 -8.873 1.00 0.00 C ATOM 1090 O LYS A 70 -9.923 -5.745 -9.073 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.221 -2.907 -8.355 1.00 0.00 C ATOM 1092 CG LYS A 70 -12.102 -2.297 -7.251 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.122 -1.331 -7.871 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.125 -0.819 -6.829 1.00 0.00 C ATOM 1095 NZ LYS A 70 -14.778 0.437 -7.261 1.00 0.00 N ATOM 0 H LYS A 70 -9.243 -1.862 -7.302 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.452 -4.408 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.820 -2.108 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.835 -3.536 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.620 -3.088 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.481 -1.769 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.598 -0.486 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.658 -1.835 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.884 -1.580 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.612 -0.654 -5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.448 0.749 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.056 1.172 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.289 0.274 -8.152 1.00 0.00 H new ATOM 1109 N THR A 71 -8.389 -4.171 -9.552 1.00 0.00 N ATOM 1110 CA THR A 71 -7.613 -4.969 -10.496 1.00 0.00 C ATOM 1111 C THR A 71 -6.975 -6.147 -9.752 1.00 0.00 C ATOM 1112 O THR A 71 -7.205 -7.309 -10.104 1.00 0.00 O ATOM 1113 CB THR A 71 -6.574 -4.072 -11.194 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.224 -2.968 -11.799 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.817 -4.815 -12.296 1.00 0.00 C ATOM 0 H THR A 71 -8.044 -3.216 -9.457 1.00 0.00 H new ATOM 0 HA THR A 71 -8.254 -5.382 -11.274 1.00 0.00 H new ATOM 0 HB THR A 71 -5.868 -3.753 -10.427 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.421 -2.291 -11.118 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.096 -4.142 -12.759 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.293 -5.668 -11.866 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.522 -5.165 -13.050 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.211 -5.848 -8.701 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.471 -6.815 -7.900 1.00 0.00 C ATOM 1125 C ILE A 72 -6.475 -7.807 -7.299 1.00 0.00 C ATOM 1126 O ILE A 72 -6.260 -9.015 -7.345 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.692 -6.019 -6.827 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.438 -5.381 -7.456 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.200 -6.899 -5.670 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -2.952 -4.217 -6.589 1.00 0.00 C ATOM 0 H ILE A 72 -6.088 -4.889 -8.375 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.754 -7.393 -8.483 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.389 -5.274 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.650 -6.127 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.666 -5.026 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.661 -6.284 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.054 -7.367 -5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.535 -7.671 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.066 -3.772 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.738 -3.465 -6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.706 -4.584 -5.592 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.601 -7.305 -6.779 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.624 -8.058 -6.059 1.00 0.00 C ATOM 1144 C ARG A 73 -9.206 -9.205 -6.886 1.00 0.00 C ATOM 1145 O ARG A 73 -9.689 -10.168 -6.287 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.727 -7.078 -5.602 1.00 0.00 C ATOM 1147 CG ARG A 73 -10.744 -7.664 -4.613 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.121 -7.961 -3.240 1.00 0.00 C ATOM 1149 NE ARG A 73 -10.588 -9.244 -2.694 1.00 0.00 N ATOM 1150 CZ ARG A 73 -10.091 -9.851 -1.611 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -9.151 -9.261 -0.878 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -10.554 -11.050 -1.276 1.00 0.00 N ATOM 0 H ARG A 73 -7.831 -6.314 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.161 -8.528 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.254 -6.210 -5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.262 -6.721 -6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.571 -6.965 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.161 -8.582 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.035 -7.978 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.371 -7.158 -2.546 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.354 -9.709 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.804 -8.339 -1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.777 -9.731 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.278 -11.494 -1.842 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.186 -11.527 -0.453 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.189 -9.121 -8.216 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.716 -10.181 -9.061 1.00 0.00 C ATOM 1168 C ALA A 74 -8.679 -11.278 -9.334 1.00 0.00 C ATOM 1169 O ALA A 74 -9.070 -12.392 -9.686 1.00 0.00 O ATOM 1170 CB ALA A 74 -10.229 -9.571 -10.370 1.00 0.00 C ATOM 0 H ALA A 74 -8.813 -8.324 -8.729 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.539 -10.663 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.626 -10.360 -11.008 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.017 -8.851 -10.151 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.409 -9.067 -10.883 1.00 0.00 H new ATOM 1176 N ASP A 75 -7.377 -11.013 -9.204 1.00 0.00 N ATOM 1177 CA ASP A 75 -6.330 -11.964 -9.586 1.00 0.00 C ATOM 1178 C ASP A 75 -6.253 -13.112 -8.574 1.00 0.00 C ATOM 1179 O ASP A 75 -6.239 -12.867 -7.368 1.00 0.00 O ATOM 1180 CB ASP A 75 -4.987 -11.243 -9.651 1.00 0.00 C ATOM 1181 CG ASP A 75 -3.894 -12.164 -10.187 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -3.301 -12.926 -9.392 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -3.612 -12.111 -11.406 1.00 0.00 O ATOM 0 H ASP A 75 -7.019 -10.134 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.571 -12.379 -10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.073 -10.365 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.713 -10.888 -8.658 1.00 0.00 H new ATOM 1188 N GLY A 76 -6.179 -14.362 -9.036 1.00 0.00 N ATOM 1189 CA GLY A 76 -6.230 -15.545 -8.179 1.00 0.00 C ATOM 1190 C GLY A 76 -5.040 -15.685 -7.227 1.00 0.00 C ATOM 1191 O GLY A 76 -5.096 -16.497 -6.304 1.00 0.00 O ATOM 0 H GLY A 76 -6.081 -14.582 -10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.148 -15.515 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.283 -16.433 -8.809 1.00 0.00 H new ATOM 1195 N ALA A 77 -3.960 -14.924 -7.433 1.00 0.00 N ATOM 1196 CA ALA A 77 -2.873 -14.765 -6.482 1.00 0.00 C ATOM 1197 C ALA A 77 -2.996 -13.395 -5.845 1.00 0.00 C ATOM 1198 O ALA A 77 -3.071 -13.288 -4.623 1.00 0.00 O ATOM 1199 CB ALA A 77 -1.503 -14.928 -7.153 1.00 0.00 C ATOM 0 H ALA A 77 -3.821 -14.390 -8.291 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.945 -15.543 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.716 -14.802 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.430 -15.922 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.388 -14.176 -7.933 1.00 0.00 H new ATOM 1205 N MET A 78 -2.966 -12.333 -6.651 1.00 0.00 N ATOM 1206 CA MET A 78 -2.747 -10.996 -6.120 1.00 0.00 C ATOM 1207 C MET A 78 -3.920 -10.483 -5.296 1.00 0.00 C ATOM 1208 O MET A 78 -3.729 -9.568 -4.511 1.00 0.00 O ATOM 1209 CB MET A 78 -2.280 -10.008 -7.197 1.00 0.00 C ATOM 1210 CG MET A 78 -1.035 -10.534 -7.921 1.00 0.00 C ATOM 1211 SD MET A 78 -0.233 -9.335 -9.007 1.00 0.00 S ATOM 1212 CE MET A 78 1.177 -10.341 -9.544 1.00 0.00 C ATOM 0 H MET A 78 -3.090 -12.375 -7.663 1.00 0.00 H new ATOM 0 HA MET A 78 -1.920 -11.079 -5.415 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.082 -9.843 -7.917 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.059 -9.043 -6.740 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.313 -10.870 -7.177 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.315 -11.407 -8.510 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.787 -9.769 -10.243 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.779 -10.615 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.814 -11.244 -10.034 1.00 0.00 H new ATOM 1222 N SER A 79 -5.084 -11.121 -5.335 1.00 0.00 N ATOM 1223 CA SER A 79 -6.162 -10.830 -4.399 1.00 0.00 C ATOM 1224 C SER A 79 -5.700 -11.014 -2.939 1.00 0.00 C ATOM 1225 O SER A 79 -6.201 -10.321 -2.054 1.00 0.00 O ATOM 1226 CB SER A 79 -7.370 -11.697 -4.767 1.00 0.00 C ATOM 1227 OG SER A 79 -8.552 -11.272 -4.121 1.00 0.00 O ATOM 0 H SER A 79 -5.306 -11.850 -6.012 1.00 0.00 H new ATOM 0 HA SER A 79 -6.458 -9.784 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.519 -11.670 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.165 -12.734 -4.500 1.00 0.00 H new ATOM 0 HG SER A 79 -9.180 -10.921 -4.786 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.704 -11.873 -2.683 1.00 0.00 N ATOM 1234 CA ALA A 80 -4.077 -12.062 -1.381 1.00 0.00 C ATOM 1235 C ALA A 80 -3.127 -10.922 -0.973 1.00 0.00 C ATOM 1236 O ALA A 80 -2.656 -10.928 0.166 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.289 -13.381 -1.409 1.00 0.00 C ATOM 0 H ALA A 80 -4.304 -12.472 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.878 -12.076 -0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.812 -13.540 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.969 -14.207 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.526 -13.333 -2.186 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.788 -9.989 -1.872 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.812 -8.940 -1.587 1.00 0.00 C ATOM 1245 C LEU A 81 -2.374 -7.966 -0.552 1.00 0.00 C ATOM 1246 O LEU A 81 -3.557 -7.613 -0.637 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.431 -8.133 -2.850 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.313 -8.766 -3.704 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.104 -8.004 -5.026 1.00 0.00 C ATOM 1250 CD2 LEU A 81 1.029 -8.779 -2.954 1.00 0.00 C ATOM 0 H LEU A 81 -3.183 -9.944 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.920 -9.439 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.319 -8.013 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.117 -7.135 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.636 -9.786 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.691 -8.481 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.027 -8.020 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.172 -6.972 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.794 -9.232 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.319 -7.757 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.927 -9.357 -2.036 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.529 -7.447 0.360 1.00 0.00 N ATOM 1263 CA PRO A 82 -1.856 -6.294 1.171 1.00 0.00 C ATOM 1264 C PRO A 82 -1.826 -5.022 0.315 1.00 0.00 C ATOM 1265 O PRO A 82 -0.802 -4.337 0.208 1.00 0.00 O ATOM 1266 CB PRO A 82 -0.877 -6.310 2.343 1.00 0.00 C ATOM 1267 CG PRO A 82 0.352 -6.998 1.767 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.202 -7.938 0.697 1.00 0.00 C ATOM 0 HA PRO A 82 -2.869 -6.319 1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.648 -5.302 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.280 -6.856 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.047 -6.276 1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.896 -7.548 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.443 -7.947 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.250 -8.962 1.068 1.00 0.00 H new ATOM 1276 N VAL A 83 -2.970 -4.722 -0.297 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.324 -3.436 -0.882 1.00 0.00 C ATOM 1278 C VAL A 83 -3.694 -2.507 0.269 1.00 0.00 C ATOM 1279 O VAL A 83 -4.840 -2.467 0.733 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.435 -3.575 -1.946 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.807 -3.959 -3.286 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.524 -4.607 -1.606 1.00 0.00 C ATOM 0 H VAL A 83 -3.715 -5.411 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.483 -3.011 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.928 -2.604 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.589 -4.058 -4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.103 -3.185 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.281 -4.908 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.261 -4.636 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.070 -5.592 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.014 -4.325 -0.674 1.00 0.00 H new ATOM 1292 N LEU A 84 -2.679 -1.826 0.798 1.00 0.00 N ATOM 1293 CA LEU A 84 -2.824 -0.866 1.876 1.00 0.00 C ATOM 1294 C LEU A 84 -2.918 0.520 1.253 1.00 0.00 C ATOM 1295 O LEU A 84 -2.012 0.943 0.534 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.638 -0.990 2.833 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.726 -0.024 4.027 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.041 -0.156 4.802 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.558 -0.296 4.971 1.00 0.00 C ATOM 0 H LEU A 84 -1.716 -1.933 0.479 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.726 -1.052 2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.583 -2.013 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.715 -0.799 2.286 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.685 0.991 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.046 0.550 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.878 0.059 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.136 -1.171 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.611 0.384 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.609 -1.325 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.382 -0.141 4.441 1.00 0.00 H new ATOM 1311 N MET A 85 -4.043 1.190 1.470 1.00 0.00 N ATOM 1312 CA MET A 85 -4.316 2.510 0.923 1.00 0.00 C ATOM 1313 C MET A 85 -3.842 3.541 1.960 1.00 0.00 C ATOM 1314 O MET A 85 -4.255 3.471 3.115 1.00 0.00 O ATOM 1315 CB MET A 85 -5.811 2.599 0.561 1.00 0.00 C ATOM 1316 CG MET A 85 -6.285 1.459 -0.379 1.00 0.00 C ATOM 1317 SD MET A 85 -6.277 1.711 -2.187 1.00 0.00 S ATOM 1318 CE MET A 85 -4.735 2.607 -2.490 1.00 0.00 C ATOM 0 H MET A 85 -4.804 0.823 2.042 1.00 0.00 H new ATOM 0 HA MET A 85 -3.778 2.713 -0.003 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.401 2.574 1.477 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.005 3.559 0.083 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.666 0.587 -0.170 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.305 1.203 -0.091 1.00 0.00 H new ATOM 0 HE1 MET A 85 -4.643 2.824 -3.554 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.740 3.541 -1.928 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.891 1.996 -2.170 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.936 4.447 1.575 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.193 5.359 2.448 1.00 0.00 C ATOM 1330 C VAL A 86 -2.278 6.752 1.831 1.00 0.00 C ATOM 1331 O VAL A 86 -1.556 7.041 0.883 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.725 4.875 2.586 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.134 5.805 3.455 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.630 3.468 3.187 1.00 0.00 C ATOM 0 H VAL A 86 -2.689 4.569 0.593 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.615 5.383 3.453 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.344 4.875 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.149 5.413 3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.154 6.801 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.291 5.862 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.417 3.175 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.081 3.465 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.159 2.762 2.546 1.00 0.00 H new ATOM 1344 N THR A 87 -3.172 7.608 2.323 1.00 0.00 N ATOM 1345 CA THR A 87 -3.454 8.898 1.703 1.00 0.00 C ATOM 1346 C THR A 87 -3.631 9.981 2.778 1.00 0.00 C ATOM 1347 O THR A 87 -3.406 9.764 3.971 1.00 0.00 O ATOM 1348 CB THR A 87 -4.659 8.721 0.748 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.891 9.887 -0.026 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.951 8.315 1.468 1.00 0.00 C ATOM 0 H THR A 87 -3.721 7.425 3.163 1.00 0.00 H new ATOM 0 HA THR A 87 -2.618 9.248 1.097 1.00 0.00 H new ATOM 0 HB THR A 87 -4.381 7.900 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.346 9.854 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.755 8.208 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.798 7.366 1.982 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.219 9.082 2.195 1.00 0.00 H new ATOM 1358 N ALA A 88 -4.024 11.178 2.351 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.578 12.226 3.193 1.00 0.00 C ATOM 1360 C ALA A 88 -6.097 12.344 3.024 1.00 0.00 C ATOM 1361 O ALA A 88 -6.753 12.967 3.860 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.895 13.539 2.828 1.00 0.00 C ATOM 0 H ALA A 88 -3.961 11.452 1.370 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.396 11.981 4.239 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.295 14.342 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.822 13.450 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.079 13.765 1.778 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.662 11.748 1.972 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.084 11.810 1.671 1.00 0.00 C ATOM 1370 C GLU A 89 -8.813 10.838 2.606 1.00 0.00 C ATOM 1371 O GLU A 89 -8.756 9.625 2.408 1.00 0.00 O ATOM 1372 CB GLU A 89 -8.329 11.477 0.185 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.665 12.479 -0.781 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.666 13.391 -1.493 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -9.279 12.993 -2.508 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.867 14.545 -1.047 1.00 0.00 O ATOM 0 H GLU A 89 -6.130 11.200 1.296 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.471 12.816 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.950 10.476 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.402 11.457 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.957 13.093 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.092 11.928 -1.527 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.481 11.353 3.641 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.469 10.583 4.387 1.00 0.00 C ATOM 1385 C ALA A 90 -11.605 10.246 3.433 1.00 0.00 C ATOM 1386 O ALA A 90 -11.688 9.105 3.002 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.964 11.353 5.612 1.00 0.00 C ATOM 0 H ALA A 90 -9.352 12.306 3.980 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.024 9.665 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.699 10.752 6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.123 11.568 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.423 12.289 5.293 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.436 11.245 3.095 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.651 11.129 2.290 1.00 0.00 C ATOM 1395 C LYS A 91 -14.422 9.858 2.651 1.00 0.00 C ATOM 1396 O LYS A 91 -14.216 8.822 2.035 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.290 11.232 0.793 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.475 11.070 -0.177 1.00 0.00 C ATOM 1399 CD LYS A 91 -15.191 12.389 -0.490 1.00 0.00 C ATOM 1400 CE LYS A 91 -14.550 13.229 -1.608 1.00 0.00 C ATOM 1401 NZ LYS A 91 -14.423 12.501 -2.888 1.00 0.00 N ATOM 0 H LYS A 91 -12.264 12.205 3.395 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.327 11.955 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.823 12.201 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.544 10.471 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.116 10.631 -1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.192 10.369 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.222 12.168 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -15.228 12.989 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.148 14.127 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.562 13.557 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.262 13.180 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.621 11.841 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.297 11.969 -3.073 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.376 9.953 3.582 1.00 0.00 N ATOM 1416 CA LYS A 92 -16.305 8.875 3.953 1.00 0.00 C ATOM 1417 C LYS A 92 -16.607 7.882 2.818 1.00 0.00 C ATOM 1418 O LYS A 92 -16.354 6.691 2.944 1.00 0.00 O ATOM 1419 CB LYS A 92 -17.605 9.460 4.542 1.00 0.00 C ATOM 1420 CG LYS A 92 -18.299 10.599 3.759 1.00 0.00 C ATOM 1421 CD LYS A 92 -17.973 12.007 4.281 1.00 0.00 C ATOM 1422 CE LYS A 92 -18.815 13.016 3.493 1.00 0.00 C ATOM 1423 NZ LYS A 92 -18.941 14.315 4.180 1.00 0.00 N ATOM 0 H LYS A 92 -15.530 10.808 4.116 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.793 8.289 4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -18.320 8.645 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.384 9.828 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -18.007 10.535 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -19.378 10.449 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.193 12.078 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.911 12.221 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.365 13.171 2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.809 12.601 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.520 14.958 3.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.396 14.176 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.997 14.728 4.317 1.00 0.00 H new ATOM 1437 N GLU A 93 -17.116 8.387 1.701 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.475 7.670 0.480 1.00 0.00 C ATOM 1439 C GLU A 93 -16.327 6.835 -0.104 1.00 0.00 C ATOM 1440 O GLU A 93 -16.554 5.718 -0.565 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.939 8.745 -0.504 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.732 8.177 -1.676 1.00 0.00 C ATOM 1443 CD GLU A 93 -19.427 9.325 -2.393 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -20.493 9.768 -1.906 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -18.848 9.828 -3.382 1.00 0.00 O ATOM 0 H GLU A 93 -17.304 9.386 1.617 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.254 6.937 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.554 9.473 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.069 9.280 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.069 7.649 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.466 7.453 -1.321 1.00 0.00 H new ATOM 1452 N ASN A 94 -15.100 7.359 -0.088 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.887 6.653 -0.484 1.00 0.00 C ATOM 1454 C ASN A 94 -13.528 5.587 0.549 1.00 0.00 C ATOM 1455 O ASN A 94 -13.151 4.489 0.149 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.707 7.629 -0.654 1.00 0.00 C ATOM 1457 CG ASN A 94 -12.655 8.392 -1.978 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -13.571 8.186 -2.916 1.00 0.00 O flip ATOM 1459 ND2 ASN A 94 -11.794 9.240 -2.170 1.00 0.00 N flip ATOM 0 H ASN A 94 -14.921 8.318 0.211 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.081 6.173 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.741 8.354 0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.779 7.069 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.081 9.413 -1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.789 9.774 -3.039 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.684 5.853 1.850 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.447 4.846 2.883 1.00 0.00 C ATOM 1468 C ILE A 95 -14.385 3.664 2.618 1.00 0.00 C ATOM 1469 O ILE A 95 -13.916 2.522 2.562 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.598 5.452 4.301 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.328 6.251 4.659 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -13.818 4.348 5.354 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.598 7.467 5.551 1.00 0.00 C ATOM 0 H ILE A 95 -13.975 6.762 2.211 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.420 4.483 2.841 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.467 6.110 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.624 5.590 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.848 6.585 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -13.921 4.801 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.724 3.792 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.965 3.670 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.659 7.980 5.761 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.278 8.149 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.049 7.138 6.487 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.692 3.906 2.428 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.618 2.904 1.928 1.00 0.00 C ATOM 1487 C ILE A 96 -16.206 2.246 0.613 1.00 0.00 C ATOM 1488 O ILE A 96 -16.261 1.024 0.565 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.073 3.396 1.984 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.420 4.133 3.301 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -19.100 2.330 1.606 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -19.208 5.401 3.048 1.00 0.00 C ATOM 0 H ILE A 96 -16.127 4.808 2.621 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.561 2.067 2.623 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.143 4.148 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.996 3.470 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.501 4.377 3.833 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -20.103 2.752 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.913 1.990 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.018 1.486 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.431 5.887 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.621 6.075 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.140 5.155 2.539 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.769 2.972 -0.420 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.337 2.348 -1.671 1.00 0.00 C ATOM 1506 C ALA A 97 -14.213 1.347 -1.409 1.00 0.00 C ATOM 1507 O ALA A 97 -14.257 0.220 -1.898 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.865 3.411 -2.660 1.00 0.00 C ATOM 0 H ALA A 97 -15.706 3.990 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.187 1.818 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.547 2.931 -3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.683 4.100 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.028 3.962 -2.230 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.216 1.745 -0.622 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.095 0.905 -0.245 1.00 0.00 C ATOM 1516 C ALA A 98 -12.572 -0.305 0.562 1.00 0.00 C ATOM 1517 O ALA A 98 -12.123 -1.424 0.313 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.085 1.767 0.516 1.00 0.00 C ATOM 0 H ALA A 98 -13.169 2.682 -0.223 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.604 0.498 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.232 1.155 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.744 2.580 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.558 2.181 1.406 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.502 -0.118 1.503 1.00 0.00 N ATOM 1525 CA ALA A 99 -14.042 -1.208 2.304 1.00 0.00 C ATOM 1526 C ALA A 99 -14.903 -2.171 1.476 1.00 0.00 C ATOM 1527 O ALA A 99 -14.882 -3.383 1.704 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.859 -0.613 3.455 1.00 0.00 C ATOM 0 H ALA A 99 -13.898 0.795 1.727 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.209 -1.794 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.270 -1.418 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.216 0.016 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.674 -0.012 3.050 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.658 -1.654 0.512 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.482 -2.414 -0.414 1.00 0.00 C ATOM 1536 C GLN A 100 -15.599 -3.216 -1.364 1.00 0.00 C ATOM 1537 O GLN A 100 -15.838 -4.406 -1.558 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.414 -1.451 -1.174 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.667 -1.095 -0.362 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.515 -2.322 -0.024 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -19.607 -3.275 -0.795 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -20.117 -2.364 1.147 1.00 0.00 N ATOM 0 H GLN A 100 -15.713 -0.648 0.350 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.100 -3.125 0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.870 -0.539 -1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.712 -1.906 -2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.369 -0.598 0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.271 -0.384 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.042 -1.574 1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.658 -3.186 1.413 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.539 -2.606 -1.896 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.531 -3.292 -2.690 1.00 0.00 C ATOM 1553 C ALA A 101 -12.653 -4.232 -1.851 1.00 0.00 C ATOM 1554 O ALA A 101 -11.925 -5.041 -2.425 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.678 -2.258 -3.415 1.00 0.00 C ATOM 0 H ALA A 101 -14.358 -1.608 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.046 -3.924 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.920 -2.765 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.311 -1.657 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.191 -1.611 -2.685 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.735 -4.186 -0.519 1.00 0.00 N ATOM 1562 CA GLY A 102 -12.052 -5.114 0.369 1.00 0.00 C ATOM 1563 C GLY A 102 -10.564 -4.822 0.481 1.00 0.00 C ATOM 1564 O GLY A 102 -9.759 -5.758 0.506 1.00 0.00 O ATOM 0 H GLY A 102 -13.290 -3.488 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.505 -5.064 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.193 -6.132 0.005 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.190 -3.537 0.539 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.801 -3.139 0.703 1.00 0.00 C ATOM 1570 C ALA A 103 -8.253 -3.688 2.018 1.00 0.00 C ATOM 1571 O ALA A 103 -8.986 -3.830 3.010 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.650 -1.616 0.654 1.00 0.00 C ATOM 0 H ALA A 103 -10.842 -2.756 0.473 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.227 -3.556 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.600 -1.350 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.006 -1.246 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.236 -1.166 1.455 1.00 0.00 H new ATOM 1578 N SER A 104 -6.954 -3.950 2.043 1.00 0.00 N ATOM 1579 CA SER A 104 -6.269 -4.555 3.174 1.00 0.00 C ATOM 1580 C SER A 104 -6.035 -3.541 4.294 1.00 0.00 C ATOM 1581 O SER A 104 -5.785 -3.919 5.440 1.00 0.00 O ATOM 1582 CB SER A 104 -4.955 -5.147 2.680 1.00 0.00 C ATOM 1583 OG SER A 104 -5.145 -5.800 1.442 1.00 0.00 O ATOM 0 H SER A 104 -6.334 -3.743 1.260 1.00 0.00 H new ATOM 0 HA SER A 104 -6.891 -5.344 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.211 -4.358 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.567 -5.852 3.415 1.00 0.00 H new ATOM 0 HG SER A 104 -5.217 -6.766 1.589 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.194 -2.253 3.997 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.411 -1.242 5.003 1.00 0.00 C ATOM 1591 C GLY A 105 -6.563 0.120 4.361 1.00 0.00 C ATOM 1592 O GLY A 105 -6.317 0.281 3.163 1.00 0.00 O ATOM 0 H GLY A 105 -6.174 -1.890 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.305 -1.480 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.574 -1.230 5.702 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.944 1.088 5.186 1.00 0.00 N ATOM 1597 CA TYR A 106 -7.083 2.483 4.824 1.00 0.00 C ATOM 1598 C TYR A 106 -6.365 3.279 5.908 1.00 0.00 C ATOM 1599 O TYR A 106 -6.527 2.995 7.102 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.575 2.829 4.719 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.871 4.029 3.842 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.910 5.329 4.377 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.132 3.831 2.475 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -9.201 6.426 3.541 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.449 4.921 1.649 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.462 6.229 2.168 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.722 7.278 1.343 1.00 0.00 O ATOM 0 H TYR A 106 -7.173 0.909 6.164 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.643 2.718 3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.111 1.965 4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.964 3.018 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.717 5.487 5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.088 2.836 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.224 7.424 3.954 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.684 4.755 0.608 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.267 8.079 1.678 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.540 4.237 5.509 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.736 5.081 6.374 1.00 0.00 C ATOM 1619 C VAL A 107 -4.895 6.497 5.846 1.00 0.00 C ATOM 1620 O VAL A 107 -4.819 6.725 4.636 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.267 4.609 6.366 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.336 5.566 7.109 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.113 3.242 7.034 1.00 0.00 C ATOM 0 H VAL A 107 -5.409 4.456 4.521 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.058 5.032 7.414 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.992 4.565 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.316 5.184 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.373 6.548 6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.654 5.649 8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.066 2.941 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.450 3.303 8.069 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.714 2.506 6.500 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.111 7.437 6.761 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.315 8.838 6.453 1.00 0.00 C ATOM 1635 C VAL A 108 -4.304 9.628 7.274 1.00 0.00 C ATOM 1636 O VAL A 108 -4.005 9.284 8.420 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.773 9.254 6.730 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -7.055 10.634 6.135 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.775 8.284 6.089 1.00 0.00 C ATOM 0 H VAL A 108 -5.149 7.235 7.760 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.154 9.041 5.394 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.892 9.253 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.089 10.914 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.385 11.368 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.893 10.606 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.791 8.613 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.624 8.266 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.623 7.283 6.494 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.755 10.683 6.677 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.917 11.660 7.359 1.00 0.00 C ATOM 1651 C LYS A 109 -3.668 12.207 8.584 1.00 0.00 C ATOM 1652 O LYS A 109 -4.865 12.465 8.462 1.00 0.00 O ATOM 1653 CB LYS A 109 -2.577 12.767 6.349 1.00 0.00 C ATOM 1654 CG LYS A 109 -1.556 13.757 6.912 1.00 0.00 C ATOM 1655 CD LYS A 109 -1.040 14.719 5.839 1.00 0.00 C ATOM 1656 CE LYS A 109 0.203 15.459 6.341 1.00 0.00 C ATOM 1657 NZ LYS A 109 1.367 14.563 6.514 1.00 0.00 N ATOM 0 H LYS A 109 -3.884 10.885 5.686 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.990 11.214 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.183 12.318 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.487 13.300 6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.012 14.327 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.717 13.209 7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.800 14.166 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.819 15.436 5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.460 16.250 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.025 15.941 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.242 15.125 6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.288 14.063 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.390 13.871 5.738 1.00 0.00 H new ATOM 1671 N PRO A 110 -3.009 12.470 9.728 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.637 12.109 10.066 1.00 0.00 C ATOM 1673 C PRO A 110 -1.520 10.604 10.328 1.00 0.00 C ATOM 1674 O PRO A 110 -2.334 10.020 11.050 1.00 0.00 O ATOM 1675 CB PRO A 110 -1.307 12.929 11.316 1.00 0.00 C ATOM 1676 CG PRO A 110 -2.658 13.097 12.009 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.638 13.163 10.840 1.00 0.00 C ATOM 0 HA PRO A 110 -0.941 12.323 9.255 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.591 12.413 11.955 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.867 13.892 11.058 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.878 12.261 12.673 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.691 14.002 12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.586 12.693 11.103 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.857 14.198 10.577 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.473 9.985 9.782 1.00 0.00 N ATOM 1686 CA PHE A 111 -0.150 8.583 10.006 1.00 0.00 C ATOM 1687 C PHE A 111 1.344 8.448 10.278 1.00 0.00 C ATOM 1688 O PHE A 111 2.154 9.254 9.813 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.595 7.724 8.816 1.00 0.00 C ATOM 1690 CG PHE A 111 0.024 8.072 7.477 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.300 7.591 7.139 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.713 8.810 6.536 1.00 0.00 C ATOM 1693 CE1 PHE A 111 1.833 7.855 5.868 1.00 0.00 C ATOM 1694 CE2 PHE A 111 -0.181 9.081 5.268 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.095 8.601 4.938 1.00 0.00 C ATOM 0 H PHE A 111 0.184 10.456 9.161 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.693 8.218 10.878 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.366 6.682 9.040 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.678 7.800 8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.870 7.019 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.698 9.172 6.792 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.813 7.483 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.749 9.655 4.551 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.511 8.807 3.963 1.00 0.00 H new ATOM 1705 N THR A 112 1.696 7.414 11.033 1.00 0.00 N ATOM 1706 CA THR A 112 3.023 7.178 11.584 1.00 0.00 C ATOM 1707 C THR A 112 3.248 5.669 11.709 1.00 0.00 C ATOM 1708 O THR A 112 2.386 4.872 11.318 1.00 0.00 O ATOM 1709 CB THR A 112 3.121 7.859 12.958 1.00 0.00 C ATOM 1710 OG1 THR A 112 2.000 7.482 13.732 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.221 9.380 12.863 1.00 0.00 C ATOM 0 H THR A 112 1.032 6.684 11.289 1.00 0.00 H new ATOM 0 HA THR A 112 3.790 7.594 10.930 1.00 0.00 H new ATOM 0 HB THR A 112 4.043 7.526 13.434 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.052 7.909 14.613 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.287 9.804 13.865 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.111 9.651 12.295 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.336 9.772 12.361 1.00 0.00 H new ATOM 1719 N ALA A 113 4.392 5.254 12.262 1.00 0.00 N ATOM 1720 CA ALA A 113 4.686 3.852 12.489 1.00 0.00 C ATOM 1721 C ALA A 113 3.652 3.280 13.457 1.00 0.00 C ATOM 1722 O ALA A 113 3.211 2.159 13.242 1.00 0.00 O ATOM 1723 CB ALA A 113 6.129 3.660 12.968 1.00 0.00 C ATOM 0 H ALA A 113 5.134 5.887 12.562 1.00 0.00 H new ATOM 0 HA ALA A 113 4.613 3.299 11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.321 2.599 13.130 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.817 4.042 12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.278 4.202 13.902 1.00 0.00 H new ATOM 1729 N ALA A 114 3.154 4.085 14.406 1.00 0.00 N ATOM 1730 CA ALA A 114 2.087 3.719 15.331 1.00 0.00 C ATOM 1731 C ALA A 114 0.791 3.262 14.648 1.00 0.00 C ATOM 1732 O ALA A 114 -0.004 2.581 15.299 1.00 0.00 O ATOM 1733 CB ALA A 114 1.789 4.900 16.259 1.00 0.00 C ATOM 0 H ALA A 114 3.496 5.035 14.550 1.00 0.00 H new ATOM 0 HA ALA A 114 2.452 2.859 15.893 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.992 4.627 16.950 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.686 5.155 16.822 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.476 5.759 15.666 1.00 0.00 H new ATOM 1739 N THR A 115 0.560 3.592 13.369 1.00 0.00 N ATOM 1740 CA THR A 115 -0.590 3.090 12.621 1.00 0.00 C ATOM 1741 C THR A 115 -0.162 2.139 11.494 1.00 0.00 C ATOM 1742 O THR A 115 -0.931 1.246 11.137 1.00 0.00 O ATOM 1743 CB THR A 115 -1.490 4.255 12.172 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.833 3.833 12.081 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.122 4.875 10.827 1.00 0.00 C ATOM 0 H THR A 115 1.165 4.212 12.831 1.00 0.00 H new ATOM 0 HA THR A 115 -1.205 2.475 13.278 1.00 0.00 H new ATOM 0 HB THR A 115 -1.342 5.016 12.938 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.393 4.585 11.796 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.813 5.686 10.599 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.106 5.266 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.184 4.116 10.047 1.00 0.00 H new ATOM 1753 N LEU A 116 1.068 2.263 10.980 1.00 0.00 N ATOM 1754 CA LEU A 116 1.676 1.299 10.064 1.00 0.00 C ATOM 1755 C LEU A 116 1.682 -0.073 10.758 1.00 0.00 C ATOM 1756 O LEU A 116 1.214 -1.054 10.186 1.00 0.00 O ATOM 1757 CB LEU A 116 3.086 1.805 9.680 1.00 0.00 C ATOM 1758 CG LEU A 116 3.781 1.236 8.426 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.980 -0.273 8.476 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.094 1.605 7.106 1.00 0.00 C ATOM 0 H LEU A 116 1.677 3.052 11.195 1.00 0.00 H new ATOM 0 HA LEU A 116 1.116 1.194 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.023 2.886 9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.743 1.619 10.530 1.00 0.00 H new ATOM 0 HG LEU A 116 4.757 1.721 8.445 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.474 -0.605 7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.597 -0.530 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.011 -0.765 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.645 1.166 6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.073 1.222 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.075 2.689 6.997 1.00 0.00 H new ATOM 1772 N GLU A 117 2.122 -0.136 12.018 1.00 0.00 N ATOM 1773 CA GLU A 117 2.143 -1.355 12.825 1.00 0.00 C ATOM 1774 C GLU A 117 0.737 -1.907 13.074 1.00 0.00 C ATOM 1775 O GLU A 117 0.555 -3.117 13.207 1.00 0.00 O ATOM 1776 CB GLU A 117 2.886 -1.115 14.148 1.00 0.00 C ATOM 1777 CG GLU A 117 2.148 -0.261 15.183 1.00 0.00 C ATOM 1778 CD GLU A 117 2.952 -0.138 16.476 1.00 0.00 C ATOM 1779 OE1 GLU A 117 2.839 -1.067 17.313 1.00 0.00 O ATOM 1780 OE2 GLU A 117 3.655 0.875 16.693 1.00 0.00 O ATOM 0 H GLU A 117 2.481 0.679 12.515 1.00 0.00 H new ATOM 0 HA GLU A 117 2.683 -2.112 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.111 -2.082 14.597 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.840 -0.638 13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.962 0.731 14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.176 -0.705 15.398 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.261 -1.026 13.129 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.632 -1.389 13.428 1.00 0.00 C ATOM 1789 C GLU A 118 -2.300 -1.982 12.190 1.00 0.00 C ATOM 1790 O GLU A 118 -3.031 -2.970 12.288 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.381 -0.145 13.915 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.812 -0.495 14.319 1.00 0.00 C ATOM 1793 CD GLU A 118 -4.543 0.720 14.874 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -4.737 1.691 14.110 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -5.073 0.615 16.005 1.00 0.00 O ATOM 0 H GLU A 118 -0.131 -0.028 12.964 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.654 -2.145 14.213 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.855 0.292 14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -2.395 0.608 13.127 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.351 -0.883 13.455 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.797 -1.287 15.068 1.00 0.00 H new ATOM 1802 N LYS A 119 -2.100 -1.388 11.008 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.650 -2.012 9.813 1.00 0.00 C ATOM 1804 C LYS A 119 -1.835 -3.261 9.446 1.00 0.00 C ATOM 1805 O LYS A 119 -2.434 -4.181 8.896 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.803 -1.058 8.632 1.00 0.00 C ATOM 1807 CG LYS A 119 -3.500 0.289 8.874 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.936 0.223 9.415 1.00 0.00 C ATOM 1809 CE LYS A 119 -5.016 0.452 10.928 1.00 0.00 C ATOM 1810 NZ LYS A 119 -4.720 1.846 11.331 1.00 0.00 N ATOM 0 H LYS A 119 -1.587 -0.519 10.860 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.669 -2.315 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.807 -0.852 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.352 -1.582 7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.896 0.866 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.513 0.841 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.545 0.971 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.364 -0.751 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.014 0.186 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.316 -0.218 11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.890 1.956 12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.725 2.064 11.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.336 2.498 10.805 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.549 -3.348 9.830 1.00 0.00 N ATOM 1825 CA LEU A 120 0.237 -4.586 9.783 1.00 0.00 C ATOM 1826 C LEU A 120 -0.474 -5.649 10.619 1.00 0.00 C ATOM 1827 O LEU A 120 -0.790 -6.704 10.088 1.00 0.00 O ATOM 1828 CB LEU A 120 1.688 -4.395 10.263 1.00 0.00 C ATOM 1829 CG LEU A 120 2.700 -3.940 9.193 1.00 0.00 C ATOM 1830 CD1 LEU A 120 3.953 -3.383 9.872 1.00 0.00 C ATOM 1831 CD2 LEU A 120 3.146 -5.060 8.246 1.00 0.00 C ATOM 0 H LEU A 120 -0.024 -2.549 10.185 1.00 0.00 H new ATOM 0 HA LEU A 120 0.306 -4.904 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.689 -3.663 11.070 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.036 -5.337 10.687 1.00 0.00 H new ATOM 0 HG LEU A 120 2.183 -3.186 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.666 -3.062 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.681 -2.532 10.496 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.406 -4.157 10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.857 -4.663 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.620 -5.856 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.278 -5.459 7.721 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.802 -5.361 11.887 1.00 0.00 N ATOM 1844 CA ASN A 121 -1.585 -6.261 12.745 1.00 0.00 C ATOM 1845 C ASN A 121 -2.859 -6.734 12.039 1.00 0.00 C ATOM 1846 O ASN A 121 -3.150 -7.932 12.019 1.00 0.00 O ATOM 1847 CB ASN A 121 -1.903 -5.576 14.085 1.00 0.00 C ATOM 1848 CG ASN A 121 -2.828 -6.404 14.972 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -4.039 -6.451 14.765 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -2.296 -7.013 16.014 1.00 0.00 N ATOM 0 H ASN A 121 -0.530 -4.493 12.348 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.986 -7.148 12.951 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -0.972 -5.384 14.619 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -2.365 -4.608 13.891 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -2.891 -7.531 16.660 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -1.290 -6.966 16.173 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.587 -5.812 11.396 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.738 -6.178 10.574 1.00 0.00 C ATOM 1859 C LYS A 122 -4.358 -7.206 9.515 1.00 0.00 C ATOM 1860 O LYS A 122 -4.930 -8.286 9.524 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.423 -4.949 9.947 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.790 -4.683 10.578 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.725 -4.183 12.022 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.316 -2.705 12.138 1.00 0.00 C ATOM 1865 NZ LYS A 122 -7.021 -2.074 13.280 1.00 0.00 N ATOM 0 H LYS A 122 -3.397 -4.811 11.432 1.00 0.00 H new ATOM 0 HA LYS A 122 -5.468 -6.639 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.787 -4.073 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.541 -5.105 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.320 -3.947 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.376 -5.601 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.699 -4.321 12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.014 -4.794 12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.238 -2.627 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.557 -2.178 11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.740 -1.075 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.048 -2.135 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.770 -2.569 14.159 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.469 -6.903 8.574 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.197 -7.812 7.456 1.00 0.00 C ATOM 1881 C ILE A 123 -2.513 -9.111 7.891 1.00 0.00 C ATOM 1882 O ILE A 123 -2.715 -10.134 7.232 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.415 -7.105 6.335 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.073 -6.562 6.851 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.306 -6.009 5.736 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -0.354 -5.624 5.896 1.00 0.00 C ATOM 0 H ILE A 123 -2.925 -6.040 8.559 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.168 -8.103 7.055 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.163 -7.816 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.247 -6.038 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.418 -7.404 7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -2.767 -5.497 4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.213 -6.458 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.572 -5.292 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.582 -5.293 6.347 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.143 -6.146 4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.985 -4.759 5.692 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.762 -9.100 8.996 1.00 0.00 N ATOM 1899 CA PHE A 124 -1.289 -10.312 9.641 1.00 0.00 C ATOM 1900 C PHE A 124 -2.513 -11.182 9.897 1.00 0.00 C ATOM 1901 O PHE A 124 -2.636 -12.260 9.322 1.00 0.00 O ATOM 1902 CB PHE A 124 -0.543 -10.010 10.954 1.00 0.00 C ATOM 1903 CG PHE A 124 0.760 -9.221 10.906 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.500 -9.061 9.719 1.00 0.00 C ATOM 1905 CD2 PHE A 124 1.255 -8.657 12.100 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.720 -8.363 9.726 1.00 0.00 C ATOM 1907 CE2 PHE A 124 2.465 -7.940 12.105 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.206 -7.806 10.919 1.00 0.00 C ATOM 0 H PHE A 124 -1.468 -8.243 9.464 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.571 -10.823 8.999 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -1.230 -9.469 11.604 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -0.331 -10.964 11.437 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.127 -9.478 8.795 1.00 0.00 H new ATOM 0 HD2 PHE A 124 0.700 -8.777 13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.284 -8.255 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 124 2.824 -7.493 13.020 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.147 -7.276 10.925 1.00 0.00 H new ATOM 1918 N GLU A 125 -3.442 -10.695 10.712 1.00 0.00 N ATOM 1919 CA GLU A 125 -4.526 -11.509 11.241 1.00 0.00 C ATOM 1920 C GLU A 125 -5.627 -11.785 10.209 1.00 0.00 C ATOM 1921 O GLU A 125 -6.321 -12.800 10.290 1.00 0.00 O ATOM 1922 CB GLU A 125 -5.123 -10.762 12.442 1.00 0.00 C ATOM 1923 CG GLU A 125 -4.144 -10.489 13.596 1.00 0.00 C ATOM 1924 CD GLU A 125 -4.102 -11.624 14.613 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -3.918 -12.807 14.229 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -4.236 -11.339 15.819 1.00 0.00 O ATOM 0 H GLU A 125 -3.463 -9.724 11.024 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.121 -12.480 11.526 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.524 -9.810 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.963 -11.340 12.828 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -3.145 -10.333 13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.431 -9.566 14.100 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.842 -10.873 9.257 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.888 -10.927 8.264 1.00 0.00 C ATOM 1935 C LYS A 126 -6.371 -11.742 7.086 1.00 0.00 C ATOM 1936 O LYS A 126 -6.876 -12.837 6.851 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.357 -9.489 7.938 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.867 -9.390 7.715 1.00 0.00 C ATOM 1939 CD LYS A 126 -9.336 -10.177 6.498 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.233 -9.375 5.199 1.00 0.00 C ATOM 1941 NZ LYS A 126 -9.563 -10.207 4.027 1.00 0.00 N ATOM 0 H LYS A 126 -5.257 -10.043 9.164 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.786 -11.436 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.071 -8.826 8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.839 -9.137 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.385 -9.756 8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.144 -8.343 7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.741 -11.086 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -10.370 -10.487 6.648 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.908 -8.520 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.223 -8.978 5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -9.484 -9.635 3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -8.903 -11.009 3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -10.535 -10.565 4.118 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.405 -11.220 6.326 1.00 0.00 N ATOM 1956 CA LEU A 127 -4.943 -11.889 5.113 1.00 0.00 C ATOM 1957 C LEU A 127 -4.190 -13.175 5.435 1.00 0.00 C ATOM 1958 O LEU A 127 -4.159 -14.083 4.599 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.010 -11.000 4.274 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.399 -9.525 4.077 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -3.510 -8.903 3.004 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -5.864 -9.316 3.697 1.00 0.00 C ATOM 0 H LEU A 127 -4.931 -10.340 6.530 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.845 -12.111 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.022 -11.026 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.914 -11.454 3.288 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.254 -9.039 5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.786 -7.858 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.467 -8.965 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.642 -9.441 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.060 -8.251 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.074 -9.832 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.504 -9.716 4.483 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.559 -13.242 6.608 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.530 -14.219 6.901 1.00 0.00 C ATOM 1976 C GLY A 128 -1.187 -13.693 6.421 1.00 0.00 C ATOM 1977 O GLY A 128 -0.447 -14.442 5.785 1.00 0.00 O ATOM 0 H GLY A 128 -3.756 -12.610 7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.494 -14.417 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.760 -15.165 6.410 1.00 0.00 H new ATOM 1981 N MET A 129 -0.877 -12.408 6.657 1.00 0.00 N ATOM 1982 CA MET A 129 0.481 -11.897 6.426 1.00 0.00 C ATOM 1983 C MET A 129 1.373 -12.279 7.609 1.00 0.00 C ATOM 1984 O MET A 129 1.168 -13.337 8.248 1.00 0.00 O ATOM 1985 CB MET A 129 0.484 -10.381 6.148 1.00 0.00 C ATOM 1986 CG MET A 129 -0.126 -9.954 4.812 1.00 0.00 C ATOM 1987 SD MET A 129 0.684 -10.585 3.317 1.00 0.00 S ATOM 1988 CE MET A 129 -0.403 -11.970 2.885 1.00 0.00 C ATOM 1989 OXT MET A 129 2.353 -11.559 7.882 1.00 0.00 O ATOM 0 H MET A 129 -1.539 -11.713 7.003 1.00 0.00 H new ATOM 0 HA MET A 129 0.888 -12.360 5.527 1.00 0.00 H new ATOM 0 HB2 MET A 129 -0.058 -9.881 6.951 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.513 -10.024 6.188 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.169 -10.272 4.796 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.124 -8.865 4.768 1.00 0.00 H new ATOM 0 HE1 MET A 129 0.104 -12.622 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 129 -0.648 -12.535 3.785 1.00 0.00 H new ATOM 0 HE3 MET A 129 -1.320 -11.587 2.436 1.00 0.00 H new TER 1999 MET A 129