USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1087 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: B 93 ASN : amide:sc= -0.819 K(o=-5.9,f=-8.7!) USER MOD Set 1.2: B 97 GLN : amide:sc= -5.05! C(o=-5.9!,f=-9.4!) USER MOD Set 2.1: B 89 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 94 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 54 TYR OH : rot 180:sc=-0.00516 USER MOD Set 3.2: B 61 GLN : amide:sc= -1.14 K(o=-4.1,f=-3) USER MOD Set 3.3: B 65 LYS NZ :NH3+ -176:sc= -2.95! (180deg=-3.03!) USER MOD Set 4.1: A 11 GLN : amide:sc= -3.13! C(o=-1.4!,f=-12!) USER MOD Set 4.2: B 134 LYS NZ :NH3+ 170:sc= 1.68 (180deg=0.437) USER MOD Single : A 1 GLY N :NH3+ -153:sc= 2.48 (180deg=2.43) USER MOD Single : A 3 HIS : no HD1:sc= 0.444 K(o=0.44,f=-5.2!) USER MOD Single : A 4 MET CE :methyl -166:sc= -0.422 (180deg=-0.603) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.3) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 82:sc= 1.22 USER MOD Single : A 31 GLN : amide:sc= -0.459 X(o=-0.46,f=-0.21) USER MOD Single : A 32 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.4) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.111) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -0.996 K(o=-1,f=0) USER MOD Single : B 43 LYS NZ :NH3+ 147:sc= 1.27 (180deg=1.07) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.09) USER MOD Single : B 47 THR OG1 : rot 130:sc= 1.23 USER MOD Single : B 48 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.17) USER MOD Single : B 55 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : B 56 ASN : amide:sc= 1.24 K(o=1.2,f=-0.12) USER MOD Single : B 57 SER OG : rot 87:sc= 0 USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.29 K(o=1.3,f=-0.77) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 140:sc= 0.952 (180deg=-0.597) USER MOD Single : B 72 HIS : no HE2:sc= 0.394 K(o=0.39,f=-5.2!) USER MOD Single : B 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0572) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 86:sc= 0.715 USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.014) USER MOD Single : B 88 SER OG : rot 4:sc= 1.2 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 MET CE :methyl 157:sc= -3.8! (180deg=-4.57!) USER MOD Single : B 98 LYS NZ :NH3+ -130:sc= 0.075 (180deg=0.011) USER MOD Single : B 103 ASN : amide:sc= 0.843 K(o=0.84,f=-0.051) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= -1.05 K(o=-1.1,f=-1.6!) USER MOD Single : B 107 THR OG1 : rot -61:sc= 1.32 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 116 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 123 CYS SG : rot -31:sc= -0.392 USER MOD Single : B 124 GLN : amide:sc= 0.597 K(o=0.6,f=-1) USER MOD Single : B 129 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.21) USER MOD Single : B 131 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : B 135 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0555) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.428 -10.954 -11.744 1.00 0.00 N ATOM 2 CA GLY A 1 7.701 -11.693 -11.904 1.00 0.00 C ATOM 3 C GLY A 1 8.704 -11.270 -10.857 1.00 0.00 C ATOM 4 O GLY A 1 8.906 -10.070 -10.671 1.00 0.00 O ATOM 0 H1 GLY A 1 5.645 -11.527 -12.118 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.264 -10.759 -10.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.480 -10.056 -12.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.517 -12.764 -11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.109 -11.512 -12.898 1.00 0.00 H new ATOM 10 N PRO A 2 9.348 -12.244 -10.174 1.00 0.00 N ATOM 11 CA PRO A 2 10.224 -12.011 -9.015 1.00 0.00 C ATOM 12 C PRO A 2 10.988 -10.688 -9.059 1.00 0.00 C ATOM 13 O PRO A 2 11.973 -10.551 -9.790 1.00 0.00 O ATOM 14 CB PRO A 2 11.180 -13.191 -9.097 1.00 0.00 C ATOM 15 CG PRO A 2 10.344 -14.308 -9.624 1.00 0.00 C ATOM 16 CD PRO A 2 9.279 -13.682 -10.496 1.00 0.00 C ATOM 0 HA PRO A 2 9.656 -11.938 -8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.020 -12.977 -9.758 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.597 -13.433 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.951 -15.008 -10.198 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.893 -14.872 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.472 -13.863 -11.553 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.293 -14.092 -10.277 1.00 0.00 H new ATOM 24 N HIS A 3 10.503 -9.725 -8.271 1.00 0.00 N ATOM 25 CA HIS A 3 11.084 -8.386 -8.194 1.00 0.00 C ATOM 26 C HIS A 3 10.919 -7.652 -9.515 1.00 0.00 C ATOM 27 O HIS A 3 11.794 -7.690 -10.382 1.00 0.00 O ATOM 28 CB HIS A 3 12.554 -8.440 -7.765 1.00 0.00 C ATOM 29 CG HIS A 3 12.723 -8.928 -6.364 1.00 0.00 C ATOM 30 ND1 HIS A 3 12.519 -8.127 -5.262 1.00 0.00 N ATOM 31 CD2 HIS A 3 13.031 -10.154 -5.883 1.00 0.00 C ATOM 32 CE1 HIS A 3 12.687 -8.841 -4.168 1.00 0.00 C ATOM 33 NE2 HIS A 3 13.000 -10.073 -4.514 1.00 0.00 N ATOM 0 H HIS A 3 9.692 -9.855 -7.666 1.00 0.00 H new ATOM 0 HA HIS A 3 10.544 -7.828 -7.429 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.103 -9.094 -8.443 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.992 -7.446 -7.856 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.259 -11.033 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.585 -8.477 -3.156 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.188 -10.841 -3.870 1.00 0.00 H new ATOM 42 N MET A 4 9.780 -6.983 -9.650 1.00 0.00 N ATOM 43 CA MET A 4 9.411 -6.298 -10.885 1.00 0.00 C ATOM 44 C MET A 4 10.282 -5.073 -11.144 1.00 0.00 C ATOM 45 O MET A 4 11.262 -4.836 -10.436 1.00 0.00 O ATOM 46 CB MET A 4 7.934 -5.894 -10.841 1.00 0.00 C ATOM 47 CG MET A 4 6.979 -7.077 -10.868 1.00 0.00 C ATOM 48 SD MET A 4 7.073 -8.013 -12.408 1.00 0.00 S ATOM 49 CE MET A 4 6.461 -6.804 -13.580 1.00 0.00 C ATOM 0 H MET A 4 9.086 -6.900 -8.907 1.00 0.00 H new ATOM 0 HA MET A 4 9.575 -6.995 -11.707 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.752 -5.311 -9.938 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.718 -5.244 -11.689 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.203 -7.739 -10.031 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.959 -6.719 -10.727 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.224 -7.298 -14.522 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.563 -6.333 -13.181 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.224 -6.044 -13.751 1.00 0.00 H new ATOM 59 N PHE A 5 9.904 -4.300 -12.158 1.00 0.00 N ATOM 60 CA PHE A 5 10.688 -3.154 -12.608 1.00 0.00 C ATOM 61 C PHE A 5 10.956 -2.174 -11.473 1.00 0.00 C ATOM 62 O PHE A 5 10.053 -1.823 -10.707 1.00 0.00 O ATOM 63 CB PHE A 5 9.969 -2.433 -13.748 1.00 0.00 C ATOM 64 CG PHE A 5 9.653 -3.320 -14.919 1.00 0.00 C ATOM 65 CD1 PHE A 5 10.603 -3.565 -15.897 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.404 -3.909 -15.041 1.00 0.00 C ATOM 67 CE1 PHE A 5 10.313 -4.380 -16.974 1.00 0.00 C ATOM 68 CE2 PHE A 5 8.110 -4.725 -16.116 1.00 0.00 C ATOM 69 CZ PHE A 5 9.066 -4.961 -17.083 1.00 0.00 C ATOM 0 H PHE A 5 9.047 -4.450 -12.690 1.00 0.00 H new ATOM 0 HA PHE A 5 11.646 -3.534 -12.962 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.042 -2.004 -13.368 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.588 -1.603 -14.089 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.581 -3.114 -15.817 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.652 -3.728 -14.287 1.00 0.00 H new ATOM 0 HE1 PHE A 5 11.062 -4.562 -17.730 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.133 -5.178 -16.200 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.839 -5.599 -17.924 1.00 0.00 H new ATOM 79 N ALA A 6 12.213 -1.751 -11.385 1.00 0.00 N ATOM 80 CA ALA A 6 12.675 -0.815 -10.364 1.00 0.00 C ATOM 81 C ALA A 6 12.463 -1.374 -8.961 1.00 0.00 C ATOM 82 O ALA A 6 12.001 -2.499 -8.786 1.00 0.00 O ATOM 83 CB ALA A 6 11.975 0.525 -10.522 1.00 0.00 C ATOM 0 H ALA A 6 12.947 -2.051 -12.026 1.00 0.00 H new ATOM 0 HA ALA A 6 13.746 -0.668 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.329 1.213 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.195 0.936 -11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.899 0.388 -10.418 1.00 0.00 H new ATOM 89 N ASN A 7 12.821 -0.594 -7.956 1.00 0.00 N ATOM 90 CA ASN A 7 12.665 -1.027 -6.576 1.00 0.00 C ATOM 91 C ASN A 7 11.589 -0.208 -5.886 1.00 0.00 C ATOM 92 O ASN A 7 11.431 -0.262 -4.666 1.00 0.00 O ATOM 93 CB ASN A 7 13.987 -0.920 -5.817 1.00 0.00 C ATOM 94 CG ASN A 7 15.046 -1.846 -6.382 1.00 0.00 C ATOM 95 OD1 ASN A 7 15.184 -2.993 -5.952 1.00 0.00 O ATOM 96 ND2 ASN A 7 15.795 -1.356 -7.355 1.00 0.00 N ATOM 0 H ASN A 7 13.220 0.338 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 7 12.361 -2.074 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 7 14.346 0.108 -5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.821 -1.158 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 7 16.521 -1.933 -7.780 1.00 0.00 H new ATOM 0 HD22 ASN A 7 15.647 -0.401 -7.681 1.00 0.00 H new ATOM 103 N GLU A 8 10.847 0.548 -6.687 1.00 0.00 N ATOM 104 CA GLU A 8 9.755 1.366 -6.182 1.00 0.00 C ATOM 105 C GLU A 8 8.705 0.502 -5.500 1.00 0.00 C ATOM 106 O GLU A 8 8.313 0.778 -4.371 1.00 0.00 O ATOM 107 CB GLU A 8 9.122 2.177 -7.319 1.00 0.00 C ATOM 108 CG GLU A 8 8.859 1.360 -8.578 1.00 0.00 C ATOM 109 CD GLU A 8 8.279 2.180 -9.713 1.00 0.00 C ATOM 110 OE1 GLU A 8 8.995 3.048 -10.257 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 7.107 1.953 -10.075 1.00 0.00 O ATOM 0 H GLU A 8 10.985 0.610 -7.696 1.00 0.00 H new ATOM 0 HA GLU A 8 10.161 2.059 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.182 2.604 -6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.778 3.011 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.792 0.904 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.174 0.547 -8.339 1.00 0.00 H new ATOM 118 N ASN A 9 8.276 -0.559 -6.180 1.00 0.00 N ATOM 119 CA ASN A 9 7.262 -1.458 -5.638 1.00 0.00 C ATOM 120 C ASN A 9 7.736 -2.025 -4.311 1.00 0.00 C ATOM 121 O ASN A 9 6.973 -2.103 -3.355 1.00 0.00 O ATOM 122 CB ASN A 9 6.965 -2.613 -6.601 1.00 0.00 C ATOM 123 CG ASN A 9 6.773 -2.164 -8.034 1.00 0.00 C ATOM 124 OD1 ASN A 9 5.664 -1.845 -8.462 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.862 -2.146 -8.785 1.00 0.00 N ATOM 0 H ASN A 9 8.615 -0.816 -7.107 1.00 0.00 H new ATOM 0 HA ASN A 9 6.347 -0.883 -5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.784 -3.331 -6.559 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.067 -3.133 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.803 -1.859 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.761 -2.419 -8.387 1.00 0.00 H new ATOM 132 N SER A 10 9.013 -2.391 -4.263 1.00 0.00 N ATOM 133 CA SER A 10 9.619 -2.951 -3.064 1.00 0.00 C ATOM 134 C SER A 10 9.443 -2.005 -1.876 1.00 0.00 C ATOM 135 O SER A 10 9.033 -2.424 -0.792 1.00 0.00 O ATOM 136 CB SER A 10 11.107 -3.222 -3.315 1.00 0.00 C ATOM 137 OG SER A 10 11.685 -3.995 -2.274 1.00 0.00 O ATOM 0 H SER A 10 9.654 -2.307 -5.052 1.00 0.00 H new ATOM 0 HA SER A 10 9.120 -3.890 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.226 -3.744 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.639 -2.275 -3.403 1.00 0.00 H new ATOM 0 HG SER A 10 12.633 -4.149 -2.469 1.00 0.00 H new ATOM 143 N GLN A 11 9.737 -0.727 -2.091 1.00 0.00 N ATOM 144 CA GLN A 11 9.608 0.270 -1.039 1.00 0.00 C ATOM 145 C GLN A 11 8.139 0.534 -0.720 1.00 0.00 C ATOM 146 O GLN A 11 7.770 0.710 0.439 1.00 0.00 O ATOM 147 CB GLN A 11 10.291 1.570 -1.451 1.00 0.00 C ATOM 148 CG GLN A 11 11.735 1.393 -1.893 1.00 0.00 C ATOM 149 CD GLN A 11 12.549 2.666 -1.775 1.00 0.00 C ATOM 150 OE1 GLN A 11 13.471 2.904 -2.552 1.00 0.00 O ATOM 151 NE2 GLN A 11 12.229 3.485 -0.789 1.00 0.00 N ATOM 0 H GLN A 11 10.066 -0.359 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 11 10.094 -0.118 -0.144 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.725 2.024 -2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.260 2.267 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.201 0.613 -1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.753 1.051 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.457 3.253 -0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.754 4.349 -0.653 1.00 0.00 H new ATOM 160 N LEU A 12 7.314 0.558 -1.765 1.00 0.00 N ATOM 161 CA LEU A 12 5.870 0.746 -1.624 1.00 0.00 C ATOM 162 C LEU A 12 5.271 -0.272 -0.660 1.00 0.00 C ATOM 163 O LEU A 12 4.445 0.069 0.186 1.00 0.00 O ATOM 164 CB LEU A 12 5.190 0.612 -2.990 1.00 0.00 C ATOM 165 CG LEU A 12 4.936 1.918 -3.751 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.177 2.793 -3.797 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.463 1.609 -5.158 1.00 0.00 C ATOM 0 H LEU A 12 7.625 0.448 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 12 5.700 1.745 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.804 -0.035 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.235 0.106 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 12 4.163 2.471 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.956 3.709 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.484 3.043 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.982 2.256 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.284 2.541 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.226 1.031 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.539 1.033 -5.113 1.00 0.00 H new ATOM 179 N LEU A 13 5.707 -1.517 -0.793 1.00 0.00 N ATOM 180 CA LEU A 13 5.182 -2.616 0.007 1.00 0.00 C ATOM 181 C LEU A 13 5.445 -2.400 1.488 1.00 0.00 C ATOM 182 O LEU A 13 4.531 -2.483 2.306 1.00 0.00 O ATOM 183 CB LEU A 13 5.813 -3.933 -0.433 1.00 0.00 C ATOM 184 CG LEU A 13 5.720 -4.223 -1.926 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.411 -5.530 -2.250 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.272 -4.241 -2.388 1.00 0.00 C ATOM 0 H LEU A 13 6.432 -1.793 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 13 4.104 -2.653 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.864 -3.930 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.335 -4.748 0.111 1.00 0.00 H new ATOM 0 HG LEU A 13 6.228 -3.423 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.337 -5.725 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.461 -5.467 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.933 -6.340 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.234 -4.450 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.727 -5.015 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.815 -3.271 -2.191 1.00 0.00 H new ATOM 198 N ASP A 14 6.697 -2.122 1.830 1.00 0.00 N ATOM 199 CA ASP A 14 7.074 -1.927 3.225 1.00 0.00 C ATOM 200 C ASP A 14 6.487 -0.629 3.767 1.00 0.00 C ATOM 201 O ASP A 14 6.219 -0.512 4.959 1.00 0.00 O ATOM 202 CB ASP A 14 8.596 -1.943 3.396 1.00 0.00 C ATOM 203 CG ASP A 14 9.181 -3.342 3.304 1.00 0.00 C ATOM 204 OD1 ASP A 14 8.922 -4.167 4.211 1.00 0.00 O ATOM 205 OD2 ASP A 14 9.924 -3.621 2.338 1.00 0.00 O1- ATOM 0 H ASP A 14 7.465 -2.027 1.165 1.00 0.00 H new ATOM 0 HA ASP A 14 6.663 -2.757 3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.050 -1.313 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.854 -1.509 4.362 1.00 0.00 H new ATOM 210 N PHE A 15 6.276 0.334 2.878 1.00 0.00 N ATOM 211 CA PHE A 15 5.615 1.585 3.233 1.00 0.00 C ATOM 212 C PHE A 15 4.200 1.299 3.730 1.00 0.00 C ATOM 213 O PHE A 15 3.848 1.639 4.857 1.00 0.00 O ATOM 214 CB PHE A 15 5.585 2.508 2.010 1.00 0.00 C ATOM 215 CG PHE A 15 4.980 3.867 2.241 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.769 4.932 2.646 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.630 4.087 2.014 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.222 6.191 2.818 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.078 5.342 2.189 1.00 0.00 C ATOM 220 CZ PHE A 15 3.875 6.395 2.588 1.00 0.00 C ATOM 0 H PHE A 15 6.555 0.272 1.899 1.00 0.00 H new ATOM 0 HA PHE A 15 6.166 2.080 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.605 2.640 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.028 2.012 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.822 4.777 2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.002 3.268 1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.847 7.014 3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.024 5.498 2.014 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.447 7.378 2.720 1.00 0.00 H new ATOM 230 N ILE A 16 3.410 0.640 2.887 1.00 0.00 N ATOM 231 CA ILE A 16 2.045 0.250 3.239 1.00 0.00 C ATOM 232 C ILE A 16 2.053 -0.654 4.470 1.00 0.00 C ATOM 233 O ILE A 16 1.164 -0.594 5.323 1.00 0.00 O ATOM 234 CB ILE A 16 1.371 -0.499 2.069 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.360 0.374 0.812 1.00 0.00 C ATOM 236 CG2 ILE A 16 -0.045 -0.914 2.443 1.00 0.00 C ATOM 237 CD1 ILE A 16 0.983 -0.379 -0.446 1.00 0.00 C ATOM 0 H ILE A 16 3.693 0.362 1.947 1.00 0.00 H new ATOM 0 HA ILE A 16 1.482 1.158 3.455 1.00 0.00 H new ATOM 0 HB ILE A 16 1.947 -1.400 1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.659 1.196 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.347 0.816 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.503 -1.440 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.014 -1.572 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.633 -0.028 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.996 0.303 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.698 -1.184 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.017 -0.799 -0.333 1.00 0.00 H new ATOM 249 N ARG A 17 3.079 -1.483 4.545 1.00 0.00 N ATOM 250 CA ARG A 17 3.264 -2.412 5.646 1.00 0.00 C ATOM 251 C ARG A 17 3.395 -1.671 6.976 1.00 0.00 C ATOM 252 O ARG A 17 2.802 -2.071 7.980 1.00 0.00 O ATOM 253 CB ARG A 17 4.507 -3.249 5.367 1.00 0.00 C ATOM 254 CG ARG A 17 4.806 -4.316 6.396 1.00 0.00 C ATOM 255 CD ARG A 17 6.002 -5.137 5.957 1.00 0.00 C ATOM 256 NE ARG A 17 6.402 -6.116 6.958 1.00 0.00 N ATOM 257 CZ ARG A 17 7.649 -6.550 7.108 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.625 -6.066 6.345 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.923 -7.467 8.025 1.00 0.00 N ATOM 0 H ARG A 17 3.813 -1.531 3.838 1.00 0.00 H new ATOM 0 HA ARG A 17 2.392 -3.061 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.394 -3.726 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.367 -2.583 5.297 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.006 -3.855 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.938 -4.962 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.764 -5.651 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.840 -4.471 5.749 1.00 0.00 H new ATOM 0 HE ARG A 17 5.684 -6.490 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.418 -5.358 5.640 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.580 -6.403 6.464 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.177 -7.838 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.879 -7.802 8.142 1.00 0.00 H new ATOM 273 N GLU A 18 4.160 -0.585 6.974 1.00 0.00 N ATOM 274 CA GLU A 18 4.344 0.224 8.172 1.00 0.00 C ATOM 275 C GLU A 18 3.041 0.895 8.584 1.00 0.00 C ATOM 276 O GLU A 18 2.767 1.045 9.775 1.00 0.00 O ATOM 277 CB GLU A 18 5.436 1.269 7.958 1.00 0.00 C ATOM 278 CG GLU A 18 6.824 0.664 7.865 1.00 0.00 C ATOM 279 CD GLU A 18 7.916 1.710 7.783 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.814 2.740 8.479 1.00 0.00 O ATOM 281 OE2 GLU A 18 8.897 1.489 7.045 1.00 0.00 O1- ATOM 0 H GLU A 18 4.663 -0.245 6.155 1.00 0.00 H new ATOM 0 HA GLU A 18 4.655 -0.440 8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.226 1.825 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.412 1.985 8.779 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.998 0.031 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.877 0.021 6.987 1.00 0.00 H new ATOM 288 N LEU A 19 2.236 1.286 7.598 1.00 0.00 N ATOM 289 CA LEU A 19 0.922 1.862 7.864 1.00 0.00 C ATOM 290 C LEU A 19 0.100 0.933 8.749 1.00 0.00 C ATOM 291 O LEU A 19 -0.420 1.343 9.787 1.00 0.00 O ATOM 292 CB LEU A 19 0.163 2.124 6.557 1.00 0.00 C ATOM 293 CG LEU A 19 0.380 3.496 5.909 1.00 0.00 C ATOM 294 CD1 LEU A 19 1.849 3.759 5.643 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.406 3.582 4.614 1.00 0.00 C ATOM 0 H LEU A 19 2.472 1.214 6.608 1.00 0.00 H new ATOM 0 HA LEU A 19 1.074 2.810 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.447 1.357 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.903 2.001 6.750 1.00 0.00 H new ATOM 0 HG LEU A 19 0.025 4.258 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.966 4.740 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.400 3.731 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.240 2.995 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.249 4.559 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.068 2.803 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.467 3.446 4.823 1.00 0.00 H new ATOM 307 N GLY A 20 0.006 -0.325 8.345 1.00 0.00 N ATOM 308 CA GLY A 20 -0.785 -1.285 9.088 1.00 0.00 C ATOM 309 C GLY A 20 -0.147 -1.698 10.400 1.00 0.00 C ATOM 310 O GLY A 20 -0.818 -2.243 11.274 1.00 0.00 O ATOM 0 H GLY A 20 0.464 -0.699 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.768 -0.859 9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.941 -2.171 8.473 1.00 0.00 H new ATOM 314 N ASP A 21 1.145 -1.440 10.544 1.00 0.00 N ATOM 315 CA ASP A 21 1.863 -1.826 11.752 1.00 0.00 C ATOM 316 C ASP A 21 1.614 -0.829 12.881 1.00 0.00 C ATOM 317 O ASP A 21 1.607 -1.196 14.057 1.00 0.00 O ATOM 318 CB ASP A 21 3.362 -1.935 11.464 1.00 0.00 C ATOM 319 CG ASP A 21 4.142 -2.515 12.627 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.178 -3.756 12.761 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.744 -1.740 13.396 1.00 0.00 O ATOM 0 H ASP A 21 1.716 -0.967 9.843 1.00 0.00 H new ATOM 0 HA ASP A 21 1.491 -2.799 12.071 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.514 -2.559 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.755 -0.946 11.226 1.00 0.00 H new ATOM 326 N VAL A 22 1.391 0.431 12.522 1.00 0.00 N ATOM 327 CA VAL A 22 1.189 1.479 13.516 1.00 0.00 C ATOM 328 C VAL A 22 -0.287 1.827 13.673 1.00 0.00 C ATOM 329 O VAL A 22 -0.686 2.435 14.665 1.00 0.00 O ATOM 330 CB VAL A 22 1.975 2.762 13.173 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.471 2.521 13.269 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.608 3.266 11.787 1.00 0.00 C ATOM 0 H VAL A 22 1.346 0.750 11.554 1.00 0.00 H new ATOM 0 HA VAL A 22 1.565 1.078 14.457 1.00 0.00 H new ATOM 0 HB VAL A 22 1.703 3.527 13.901 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.004 3.439 13.023 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.726 2.214 14.283 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.759 1.736 12.570 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.174 4.171 11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.845 2.501 11.047 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.541 3.488 11.751 1.00 0.00 H new ATOM 342 N GLY A 23 -1.095 1.448 12.695 1.00 0.00 N ATOM 343 CA GLY A 23 -2.514 1.704 12.786 1.00 0.00 C ATOM 344 C GLY A 23 -2.969 2.824 11.874 1.00 0.00 C ATOM 345 O GLY A 23 -3.891 3.563 12.203 1.00 0.00 O ATOM 0 H GLY A 23 -0.795 0.971 11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.059 0.794 12.536 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.768 1.955 13.816 1.00 0.00 H new ATOM 349 N LEU A 24 -2.312 2.963 10.735 1.00 0.00 N ATOM 350 CA LEU A 24 -2.699 3.956 9.743 1.00 0.00 C ATOM 351 C LEU A 24 -3.476 3.295 8.615 1.00 0.00 C ATOM 352 O LEU A 24 -4.008 3.967 7.734 1.00 0.00 O ATOM 353 CB LEU A 24 -1.463 4.657 9.172 1.00 0.00 C ATOM 354 CG LEU A 24 -0.669 5.505 10.165 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.624 5.993 9.533 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.502 6.682 10.642 1.00 0.00 C ATOM 0 H LEU A 24 -1.504 2.399 10.472 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.332 4.698 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.798 3.901 8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.778 5.295 8.347 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.420 4.885 11.026 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.177 6.595 10.254 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.229 5.137 9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.395 6.598 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.922 7.276 11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.779 7.301 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.404 6.315 11.131 1.00 0.00 H new ATOM 368 N LEU A 25 -3.542 1.971 8.651 1.00 0.00 N ATOM 369 CA LEU A 25 -4.170 1.217 7.581 1.00 0.00 C ATOM 370 C LEU A 25 -5.526 0.680 8.024 1.00 0.00 C ATOM 371 O LEU A 25 -6.252 0.052 7.253 1.00 0.00 O ATOM 372 CB LEU A 25 -3.257 0.082 7.150 1.00 0.00 C ATOM 373 CG LEU A 25 -3.716 -0.701 5.930 1.00 0.00 C ATOM 374 CD1 LEU A 25 -4.034 0.234 4.771 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.647 -1.696 5.546 1.00 0.00 C ATOM 0 H LEU A 25 -3.168 1.400 9.409 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.334 1.880 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.268 0.492 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.149 -0.611 7.985 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.632 -1.239 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.360 -0.351 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.828 0.921 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.142 0.802 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.972 -2.260 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.723 -1.166 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.473 -2.381 6.375 1.00 0.00 H new ATOM 387 N GLU A 26 -5.838 0.910 9.283 1.00 0.00 N ATOM 388 CA GLU A 26 -7.140 0.568 9.838 1.00 0.00 C ATOM 389 C GLU A 26 -8.257 1.272 9.063 1.00 0.00 C ATOM 390 O GLU A 26 -8.101 2.419 8.629 1.00 0.00 O ATOM 391 CB GLU A 26 -7.190 0.957 11.317 1.00 0.00 C ATOM 392 CG GLU A 26 -6.892 2.426 11.556 1.00 0.00 C ATOM 393 CD GLU A 26 -7.005 2.828 13.011 1.00 0.00 C ATOM 394 OE1 GLU A 26 -6.086 2.518 13.794 1.00 0.00 O ATOM 395 OE2 GLU A 26 -8.010 3.476 13.380 1.00 0.00 O1- ATOM 0 H GLU A 26 -5.200 1.339 9.953 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.290 -0.508 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.177 0.723 11.715 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.472 0.352 11.870 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.886 2.648 11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.579 3.031 10.964 1.00 0.00 H new ATOM 402 N TYR A 27 -9.373 0.579 8.882 1.00 0.00 N ATOM 403 CA TYR A 27 -10.489 1.114 8.108 1.00 0.00 C ATOM 404 C TYR A 27 -11.824 0.523 8.550 1.00 0.00 C ATOM 405 O TYR A 27 -11.873 -0.406 9.360 1.00 0.00 O ATOM 406 CB TYR A 27 -10.286 0.838 6.614 1.00 0.00 C ATOM 407 CG TYR A 27 -10.264 -0.629 6.242 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.080 -1.354 6.268 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.424 -1.284 5.856 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.055 -2.689 5.922 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.408 -2.619 5.510 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.221 -3.318 5.544 1.00 0.00 C ATOM 413 OH TYR A 27 -10.202 -4.649 5.196 1.00 0.00 O ATOM 0 H TYR A 27 -9.531 -0.355 9.260 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.514 2.189 8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.083 1.329 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.348 1.294 6.298 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.164 -0.865 6.564 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.356 -0.739 5.826 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.126 -3.239 5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.321 -3.114 5.214 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.107 -4.937 4.956 1.00 0.00 H new ATOM 423 N GLU A 28 -12.897 1.075 8.002 1.00 0.00 N ATOM 424 CA GLU A 28 -14.238 0.574 8.215 1.00 0.00 C ATOM 425 C GLU A 28 -15.047 0.766 6.938 1.00 0.00 C ATOM 426 O GLU A 28 -14.991 1.825 6.312 1.00 0.00 O ATOM 427 CB GLU A 28 -14.920 1.283 9.395 1.00 0.00 C ATOM 428 CG GLU A 28 -15.121 2.784 9.215 1.00 0.00 C ATOM 429 CD GLU A 28 -13.833 3.577 9.293 1.00 0.00 C ATOM 430 OE1 GLU A 28 -13.379 3.868 10.419 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -13.268 3.916 8.234 1.00 0.00 O ATOM 0 H GLU A 28 -12.856 1.891 7.392 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.183 -0.486 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -15.892 0.819 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.325 1.116 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.594 2.967 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.808 3.145 9.980 1.00 0.00 H new ATOM 438 N LEU A 29 -15.772 -0.261 6.538 1.00 0.00 N ATOM 439 CA LEU A 29 -16.537 -0.211 5.301 1.00 0.00 C ATOM 440 C LEU A 29 -18.023 -0.359 5.571 1.00 0.00 C ATOM 441 O LEU A 29 -18.442 -1.214 6.352 1.00 0.00 O ATOM 442 CB LEU A 29 -16.082 -1.315 4.349 1.00 0.00 C ATOM 443 CG LEU A 29 -14.602 -1.283 3.977 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.247 -2.487 3.128 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.258 0.005 3.248 1.00 0.00 C ATOM 0 H LEU A 29 -15.849 -1.140 7.049 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.360 0.761 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.305 -2.280 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.672 -1.250 3.435 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.015 -1.320 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.189 -2.451 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.454 -3.400 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.843 -2.477 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.198 0.007 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.851 0.077 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.477 0.857 3.892 1.00 0.00 H new ATOM 457 N SER A 30 -18.811 0.481 4.925 1.00 0.00 N ATOM 458 CA SER A 30 -20.259 0.400 5.012 1.00 0.00 C ATOM 459 C SER A 30 -20.777 -0.639 4.022 1.00 0.00 C ATOM 460 O SER A 30 -20.016 -1.105 3.173 1.00 0.00 O ATOM 461 CB SER A 30 -20.867 1.772 4.721 1.00 0.00 C ATOM 462 OG SER A 30 -20.154 2.793 5.405 1.00 0.00 O ATOM 0 H SER A 30 -18.469 1.234 4.329 1.00 0.00 H new ATOM 0 HA SER A 30 -20.549 0.095 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.847 1.964 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.913 1.784 5.028 1.00 0.00 H new ATOM 0 HG SER A 30 -19.352 3.031 4.894 1.00 0.00 H new ATOM 468 N GLN A 31 -22.049 -1.003 4.123 1.00 0.00 N ATOM 469 CA GLN A 31 -22.633 -2.001 3.229 1.00 0.00 C ATOM 470 C GLN A 31 -22.387 -1.640 1.768 1.00 0.00 C ATOM 471 O GLN A 31 -21.999 -2.491 0.964 1.00 0.00 O ATOM 472 CB GLN A 31 -24.134 -2.144 3.488 1.00 0.00 C ATOM 473 CG GLN A 31 -24.463 -2.792 4.822 1.00 0.00 C ATOM 474 CD GLN A 31 -23.895 -4.193 4.946 1.00 0.00 C ATOM 475 OE1 GLN A 31 -24.537 -5.176 4.571 1.00 0.00 O ATOM 476 NE2 GLN A 31 -22.692 -4.297 5.484 1.00 0.00 N ATOM 0 H GLN A 31 -22.697 -0.624 4.813 1.00 0.00 H new ATOM 0 HA GLN A 31 -22.148 -2.955 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.596 -1.158 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.577 -2.736 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -24.072 -2.173 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -25.545 -2.830 4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.192 -3.459 5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -22.263 -5.215 5.601 1.00 0.00 H new ATOM 485 N GLN A 32 -22.583 -0.369 1.441 1.00 0.00 N ATOM 486 CA GLN A 32 -22.387 0.112 0.085 1.00 0.00 C ATOM 487 C GLN A 32 -20.929 -0.026 -0.332 1.00 0.00 C ATOM 488 O GLN A 32 -20.627 -0.420 -1.460 1.00 0.00 O ATOM 489 CB GLN A 32 -22.825 1.572 -0.028 1.00 0.00 C ATOM 490 CG GLN A 32 -22.937 2.051 -1.463 1.00 0.00 C ATOM 491 CD GLN A 32 -23.869 1.176 -2.271 1.00 0.00 C ATOM 492 OE1 GLN A 32 -25.072 1.433 -2.356 1.00 0.00 O ATOM 493 NE2 GLN A 32 -23.325 0.124 -2.857 1.00 0.00 N ATOM 0 H GLN A 32 -22.879 0.349 2.103 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.998 -0.496 -0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.789 1.695 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.111 2.201 0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.299 3.079 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.949 2.055 -1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.325 -0.053 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.905 -0.511 -3.405 1.00 0.00 H new ATOM 502 N GLU A 33 -20.033 0.281 0.594 1.00 0.00 N ATOM 503 CA GLU A 33 -18.605 0.219 0.328 1.00 0.00 C ATOM 504 C GLU A 33 -18.147 -1.227 0.186 1.00 0.00 C ATOM 505 O GLU A 33 -17.215 -1.525 -0.551 1.00 0.00 O ATOM 506 CB GLU A 33 -17.828 0.906 1.449 1.00 0.00 C ATOM 507 CG GLU A 33 -18.219 2.359 1.649 1.00 0.00 C ATOM 508 CD GLU A 33 -17.469 3.011 2.788 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.903 2.858 3.948 1.00 0.00 O1- ATOM 510 OE2 GLU A 33 -16.449 3.682 2.527 1.00 0.00 O ATOM 0 H GLU A 33 -20.272 0.577 1.540 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.408 0.739 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.990 0.362 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.762 0.851 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.029 2.913 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.290 2.420 1.842 1.00 0.00 H new ATOM 517 N LYS A 34 -18.830 -2.130 0.870 1.00 0.00 N ATOM 518 CA LYS A 34 -18.462 -3.537 0.838 1.00 0.00 C ATOM 519 C LYS A 34 -18.907 -4.167 -0.470 1.00 0.00 C ATOM 520 O LYS A 34 -18.271 -5.087 -0.984 1.00 0.00 O ATOM 521 CB LYS A 34 -19.072 -4.274 2.029 1.00 0.00 C ATOM 522 CG LYS A 34 -18.346 -3.994 3.332 1.00 0.00 C ATOM 523 CD LYS A 34 -19.055 -4.622 4.516 1.00 0.00 C ATOM 524 CE LYS A 34 -18.271 -4.412 5.800 1.00 0.00 C ATOM 525 NZ LYS A 34 -17.011 -5.201 5.822 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.640 -1.916 1.452 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.377 -3.617 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.118 -3.984 2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.056 -5.346 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.328 -4.379 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.271 -2.917 3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -20.050 -4.189 4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.189 -5.689 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.037 -3.353 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.890 -4.694 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.603 -5.177 6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -17.213 -6.186 5.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.334 -4.793 5.147 1.00 0.00 H new ATOM 539 N ASP A 35 -19.981 -3.632 -1.022 1.00 0.00 N ATOM 540 CA ASP A 35 -20.547 -4.145 -2.259 1.00 0.00 C ATOM 541 C ASP A 35 -19.663 -3.808 -3.451 1.00 0.00 C ATOM 542 O ASP A 35 -19.555 -4.585 -4.395 1.00 0.00 O ATOM 543 CB ASP A 35 -21.941 -3.563 -2.474 1.00 0.00 C ATOM 544 CG ASP A 35 -22.649 -4.188 -3.660 1.00 0.00 C ATOM 545 OD1 ASP A 35 -22.473 -3.695 -4.796 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.384 -5.178 -3.461 1.00 0.00 O ATOM 0 H ASP A 35 -20.483 -2.835 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.611 -5.230 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.539 -3.716 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.863 -2.486 -2.626 1.00 0.00 H new ATOM 551 N VAL A 36 -19.024 -2.652 -3.405 1.00 0.00 N ATOM 552 CA VAL A 36 -18.207 -2.203 -4.521 1.00 0.00 C ATOM 553 C VAL A 36 -16.806 -2.802 -4.454 1.00 0.00 C ATOM 554 O VAL A 36 -16.131 -2.943 -5.473 1.00 0.00 O ATOM 555 CB VAL A 36 -18.119 -0.661 -4.575 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.508 -0.052 -4.689 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.396 -0.108 -3.356 1.00 0.00 C ATOM 0 H VAL A 36 -19.054 -2.010 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.693 -2.551 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.544 -0.389 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.427 1.034 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.989 -0.411 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.105 -0.342 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.350 0.979 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.935 -0.394 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.385 -0.513 -3.318 1.00 0.00 H new ATOM 567 N LEU A 37 -16.373 -3.155 -3.251 1.00 0.00 N ATOM 568 CA LEU A 37 -15.030 -3.685 -3.050 1.00 0.00 C ATOM 569 C LEU A 37 -15.022 -5.209 -3.065 1.00 0.00 C ATOM 570 O LEU A 37 -14.271 -5.825 -3.819 1.00 0.00 O ATOM 571 CB LEU A 37 -14.451 -3.156 -1.739 1.00 0.00 C ATOM 572 CG LEU A 37 -14.472 -1.633 -1.612 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.855 -1.187 -0.298 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.757 -0.986 -2.787 1.00 0.00 C ATOM 0 H LEU A 37 -16.931 -3.084 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.405 -3.347 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.011 -3.586 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.422 -3.503 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.513 -1.309 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.883 -0.099 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.418 -1.614 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.821 -1.527 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.784 0.098 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.721 -1.323 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.253 -1.269 -3.715 1.00 0.00 H new ATOM 586 N PHE A 38 -15.859 -5.818 -2.234 1.00 0.00 N ATOM 587 CA PHE A 38 -15.927 -7.274 -2.162 1.00 0.00 C ATOM 588 C PHE A 38 -16.851 -7.811 -3.240 1.00 0.00 C ATOM 589 O PHE A 38 -16.692 -8.936 -3.712 1.00 0.00 O ATOM 590 CB PHE A 38 -16.434 -7.737 -0.795 1.00 0.00 C ATOM 591 CG PHE A 38 -15.543 -7.368 0.353 1.00 0.00 C ATOM 592 CD1 PHE A 38 -14.533 -8.222 0.766 1.00 0.00 C ATOM 593 CD2 PHE A 38 -15.725 -6.175 1.027 1.00 0.00 C ATOM 594 CE1 PHE A 38 -13.720 -7.888 1.831 1.00 0.00 C ATOM 595 CE2 PHE A 38 -14.916 -5.835 2.090 1.00 0.00 C ATOM 596 CZ PHE A 38 -13.912 -6.693 2.494 1.00 0.00 C ATOM 0 H PHE A 38 -16.497 -5.331 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.919 -7.659 -2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -17.422 -7.310 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.553 -8.820 -0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.380 -9.158 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.510 -5.501 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.935 -8.561 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -15.067 -4.899 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.278 -6.429 3.328 1.00 0.00 H new ATOM 606 N GLY A 39 -17.821 -6.996 -3.621 1.00 0.00 N ATOM 607 CA GLY A 39 -18.812 -7.427 -4.586 1.00 0.00 C ATOM 608 C GLY A 39 -20.044 -7.994 -3.913 1.00 0.00 C ATOM 609 O GLY A 39 -21.037 -8.304 -4.572 1.00 0.00 O ATOM 0 H GLY A 39 -17.941 -6.042 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.097 -6.584 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -18.377 -8.181 -5.242 1.00 0.00 H new ATOM 613 N SER A 40 -19.977 -8.123 -2.596 1.00 0.00 N ATOM 614 CA SER A 40 -21.073 -8.667 -1.818 1.00 0.00 C ATOM 615 C SER A 40 -20.940 -8.212 -0.368 1.00 0.00 C ATOM 616 O SER A 40 -21.559 -7.190 -0.012 1.00 0.00 O ATOM 617 CB SER A 40 -21.078 -10.197 -1.912 1.00 0.00 C ATOM 618 OG SER A 40 -22.263 -10.753 -1.362 1.00 0.00 O ATOM 619 OXT SER A 40 -20.194 -8.858 0.398 1.00 0.00 O ATOM 0 H SER A 40 -19.164 -7.854 -2.042 1.00 0.00 H new ATOM 0 HA SER A 40 -22.020 -8.301 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.985 -10.498 -2.956 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.211 -10.597 -1.387 1.00 0.00 H new ATOM 0 HG SER A 40 -22.233 -11.729 -1.440 1.00 0.00 H new TER 625 SER A 40 ATOM 626 N MET B 41 -2.440 14.273 12.814 1.00 0.00 N ATOM 627 CA MET B 41 -3.046 13.917 14.119 1.00 0.00 C ATOM 628 C MET B 41 -2.994 12.409 14.360 1.00 0.00 C ATOM 629 O MET B 41 -3.333 11.938 15.444 1.00 0.00 O ATOM 630 CB MET B 41 -4.501 14.399 14.184 1.00 0.00 C ATOM 631 CG MET B 41 -5.407 13.757 13.146 1.00 0.00 C ATOM 632 SD MET B 41 -7.118 14.304 13.274 1.00 0.00 S ATOM 633 CE MET B 41 -7.867 13.383 11.933 1.00 0.00 C ATOM 0 HA MET B 41 -2.467 14.412 14.898 1.00 0.00 H new ATOM 0 HB2 MET B 41 -4.899 14.192 15.178 1.00 0.00 H new ATOM 0 HB3 MET B 41 -4.522 15.481 14.052 1.00 0.00 H new ATOM 0 HG2 MET B 41 -5.031 13.989 12.150 1.00 0.00 H new ATOM 0 HG3 MET B 41 -5.368 12.673 13.258 1.00 0.00 H new ATOM 0 HE1 MET B 41 -8.931 13.615 11.882 1.00 0.00 H new ATOM 0 HE2 MET B 41 -7.390 13.658 10.992 1.00 0.00 H new ATOM 0 HE3 MET B 41 -7.736 12.315 12.108 1.00 0.00 H new ATOM 645 N ASN B 42 -2.570 11.648 13.356 1.00 0.00 N ATOM 646 CA ASN B 42 -2.524 10.195 13.480 1.00 0.00 C ATOM 647 C ASN B 42 -1.106 9.719 13.764 1.00 0.00 C ATOM 648 O ASN B 42 -0.242 10.503 14.159 1.00 0.00 O ATOM 649 CB ASN B 42 -3.063 9.520 12.214 1.00 0.00 C ATOM 650 CG ASN B 42 -4.506 9.888 11.906 1.00 0.00 C ATOM 651 OD1 ASN B 42 -4.903 9.960 10.743 1.00 0.00 O ATOM 652 ND2 ASN B 42 -5.305 10.118 12.937 1.00 0.00 N ATOM 0 H ASN B 42 -2.256 12.009 12.455 1.00 0.00 H new ATOM 0 HA ASN B 42 -3.159 9.914 14.320 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -2.436 9.798 11.367 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.987 8.438 12.326 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -6.282 10.364 12.780 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -4.943 10.050 13.888 1.00 0.00 H new ATOM 659 N LYS B 43 -0.874 8.434 13.556 1.00 0.00 N ATOM 660 CA LYS B 43 0.407 7.815 13.870 1.00 0.00 C ATOM 661 C LYS B 43 1.484 8.240 12.878 1.00 0.00 C ATOM 662 O LYS B 43 1.210 8.918 11.886 1.00 0.00 O ATOM 663 CB LYS B 43 0.287 6.285 13.866 1.00 0.00 C ATOM 664 CG LYS B 43 -0.807 5.754 14.776 1.00 0.00 C ATOM 665 CD LYS B 43 -2.123 5.596 14.034 1.00 0.00 C ATOM 666 CE LYS B 43 -3.285 5.478 14.994 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.557 5.169 14.293 1.00 0.00 N1+ ATOM 0 H LYS B 43 -1.563 7.791 13.167 1.00 0.00 H new ATOM 0 HA LYS B 43 0.695 8.151 14.866 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.095 5.948 12.847 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.241 5.854 14.170 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.503 4.792 15.188 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.942 6.433 15.618 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -2.277 6.452 13.377 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.081 4.710 13.400 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.074 4.696 15.724 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -3.394 6.410 15.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -5.154 4.574 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -5.058 6.054 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.352 4.661 13.409 1.00 0.00 H new ATOM 681 N THR B 44 2.707 7.834 13.163 1.00 0.00 N ATOM 682 CA THR B 44 3.840 8.109 12.297 1.00 0.00 C ATOM 683 C THR B 44 4.500 6.806 11.869 1.00 0.00 C ATOM 684 O THR B 44 4.326 5.775 12.523 1.00 0.00 O ATOM 685 CB THR B 44 4.872 8.997 13.010 1.00 0.00 C ATOM 686 OG1 THR B 44 4.562 9.079 14.409 1.00 0.00 O ATOM 687 CG2 THR B 44 4.898 10.390 12.410 1.00 0.00 C ATOM 0 H THR B 44 2.944 7.304 14.002 1.00 0.00 H new ATOM 0 HA THR B 44 3.473 8.637 11.417 1.00 0.00 H new ATOM 0 HB THR B 44 5.856 8.547 12.880 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.224 9.645 14.858 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.637 10.998 12.933 1.00 0.00 H new ATOM 0 HG22 THR B 44 5.162 10.327 11.354 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.914 10.848 12.511 1.00 0.00 H new ATOM 695 N LEU B 45 5.258 6.849 10.780 1.00 0.00 N ATOM 696 CA LEU B 45 5.883 5.647 10.248 1.00 0.00 C ATOM 697 C LEU B 45 7.059 5.213 11.111 1.00 0.00 C ATOM 698 O LEU B 45 7.489 5.931 12.018 1.00 0.00 O ATOM 699 CB LEU B 45 6.341 5.861 8.803 1.00 0.00 C ATOM 700 CG LEU B 45 5.221 6.123 7.795 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.769 6.122 6.380 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.124 5.085 7.930 1.00 0.00 C ATOM 0 H LEU B 45 5.453 7.699 10.251 1.00 0.00 H new ATOM 0 HA LEU B 45 5.135 4.855 10.261 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.033 6.703 8.779 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.898 4.981 8.482 1.00 0.00 H new ATOM 0 HG LEU B 45 4.797 7.105 8.006 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.959 6.310 5.676 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.524 6.902 6.281 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.219 5.153 6.165 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.338 5.290 7.204 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.537 4.093 7.747 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.708 5.124 8.937 1.00 0.00 H new ATOM 714 N LYS B 46 7.582 4.041 10.802 1.00 0.00 N ATOM 715 CA LYS B 46 8.610 3.407 11.612 1.00 0.00 C ATOM 716 C LYS B 46 9.982 3.706 11.041 1.00 0.00 C ATOM 717 O LYS B 46 10.953 3.878 11.776 1.00 0.00 O ATOM 718 CB LYS B 46 8.382 1.903 11.650 1.00 0.00 C ATOM 719 CG LYS B 46 7.062 1.520 12.286 1.00 0.00 C ATOM 720 CD LYS B 46 6.435 0.345 11.569 1.00 0.00 C ATOM 721 CE LYS B 46 7.299 -0.904 11.660 1.00 0.00 C ATOM 722 NZ LYS B 46 7.364 -1.432 13.046 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.307 3.500 9.982 1.00 0.00 H new ATOM 0 HA LYS B 46 8.556 3.803 12.626 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.417 1.510 10.634 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.195 1.432 12.202 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.219 1.269 13.335 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.382 2.371 12.261 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.454 0.140 11.998 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.277 0.601 10.521 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.899 -1.671 10.997 1.00 0.00 H new ATOM 0 HE3 LYS B 46 8.306 -0.675 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.706 -2.414 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 8.015 -0.849 13.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.416 -1.404 13.473 1.00 0.00 H new ATOM 736 N THR B 47 10.049 3.748 9.722 1.00 0.00 N ATOM 737 CA THR B 47 11.264 4.122 9.031 1.00 0.00 C ATOM 738 C THR B 47 11.248 5.612 8.727 1.00 0.00 C ATOM 739 O THR B 47 10.323 6.115 8.095 1.00 0.00 O ATOM 740 CB THR B 47 11.415 3.348 7.713 1.00 0.00 C ATOM 741 OG1 THR B 47 11.290 1.940 7.955 1.00 0.00 O ATOM 742 CG2 THR B 47 12.760 3.650 7.074 1.00 0.00 C ATOM 0 H THR B 47 9.267 3.525 9.106 1.00 0.00 H new ATOM 0 HA THR B 47 12.105 3.879 9.680 1.00 0.00 H new ATOM 0 HB THR B 47 10.626 3.663 7.030 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.638 1.558 7.332 1.00 0.00 H new ATOM 0 HG21 THR B 47 12.852 3.094 6.141 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.834 4.718 6.869 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.560 3.355 7.753 1.00 0.00 H new ATOM 750 N LYS B 48 12.281 6.308 9.178 1.00 0.00 N ATOM 751 CA LYS B 48 12.372 7.752 9.020 1.00 0.00 C ATOM 752 C LYS B 48 12.481 8.140 7.551 1.00 0.00 C ATOM 753 O LYS B 48 11.958 9.172 7.134 1.00 0.00 O ATOM 754 CB LYS B 48 13.570 8.278 9.809 1.00 0.00 C ATOM 755 CG LYS B 48 13.723 9.796 9.785 1.00 0.00 C ATOM 756 CD LYS B 48 12.426 10.523 10.128 1.00 0.00 C ATOM 757 CE LYS B 48 11.918 10.174 11.518 1.00 0.00 C ATOM 758 NZ LYS B 48 10.689 10.938 11.863 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.076 5.890 9.661 1.00 0.00 H new ATOM 0 HA LYS B 48 11.460 8.204 9.410 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.480 7.950 10.845 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.479 7.827 9.410 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.498 10.090 10.493 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.059 10.108 8.796 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.587 11.599 10.062 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.664 10.269 9.391 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.709 9.106 11.571 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.695 10.384 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 10.212 10.484 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.946 11.913 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 10.048 10.952 11.044 1.00 0.00 H new ATOM 772 N ALA B 49 13.152 7.302 6.771 1.00 0.00 N ATOM 773 CA ALA B 49 13.271 7.525 5.337 1.00 0.00 C ATOM 774 C ALA B 49 11.897 7.511 4.678 1.00 0.00 C ATOM 775 O ALA B 49 11.638 8.270 3.751 1.00 0.00 O ATOM 776 CB ALA B 49 14.173 6.472 4.711 1.00 0.00 C ATOM 0 H ALA B 49 13.622 6.462 7.108 1.00 0.00 H new ATOM 0 HA ALA B 49 13.719 8.505 5.175 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.252 6.652 3.639 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.164 6.527 5.162 1.00 0.00 H new ATOM 0 HB3 ALA B 49 13.750 5.482 4.883 1.00 0.00 H new ATOM 782 N PHE B 50 11.016 6.655 5.186 1.00 0.00 N ATOM 783 CA PHE B 50 9.658 6.538 4.665 1.00 0.00 C ATOM 784 C PHE B 50 8.754 7.596 5.280 1.00 0.00 C ATOM 785 O PHE B 50 7.924 8.196 4.594 1.00 0.00 O ATOM 786 CB PHE B 50 9.090 5.146 4.955 1.00 0.00 C ATOM 787 CG PHE B 50 9.607 4.062 4.050 1.00 0.00 C ATOM 788 CD1 PHE B 50 10.744 4.252 3.279 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.940 2.853 3.965 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.205 3.255 2.443 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.395 1.852 3.129 1.00 0.00 C ATOM 792 CZ PHE B 50 10.529 2.053 2.367 1.00 0.00 C ATOM 0 H PHE B 50 11.220 6.028 5.964 1.00 0.00 H new ATOM 0 HA PHE B 50 9.697 6.690 3.586 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.320 4.881 5.987 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.004 5.185 4.871 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.275 5.191 3.333 1.00 0.00 H new ATOM 0 HD2 PHE B 50 8.053 2.690 4.559 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.093 3.415 1.849 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.864 0.913 3.071 1.00 0.00 H new ATOM 0 HZ PHE B 50 10.887 1.272 1.713 1.00 0.00 H new ATOM 802 N ASP B 51 8.929 7.814 6.580 1.00 0.00 N ATOM 803 CA ASP B 51 8.164 8.813 7.320 1.00 0.00 C ATOM 804 C ASP B 51 8.299 10.183 6.662 1.00 0.00 C ATOM 805 O ASP B 51 7.357 10.974 6.652 1.00 0.00 O ATOM 806 CB ASP B 51 8.649 8.874 8.772 1.00 0.00 C ATOM 807 CG ASP B 51 7.926 9.917 9.597 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.702 9.782 9.800 1.00 0.00 O1- ATOM 809 OD2 ASP B 51 8.591 10.870 10.061 1.00 0.00 O ATOM 0 H ASP B 51 9.604 7.304 7.150 1.00 0.00 H new ATOM 0 HA ASP B 51 7.112 8.526 7.309 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.515 7.896 9.235 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.718 9.088 8.783 1.00 0.00 H new ATOM 814 N ASP B 52 9.477 10.435 6.097 1.00 0.00 N ATOM 815 CA ASP B 52 9.758 11.681 5.389 1.00 0.00 C ATOM 816 C ASP B 52 8.705 11.953 4.320 1.00 0.00 C ATOM 817 O ASP B 52 8.117 13.030 4.280 1.00 0.00 O ATOM 818 CB ASP B 52 11.150 11.622 4.750 1.00 0.00 C ATOM 819 CG ASP B 52 11.584 12.950 4.160 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.308 13.203 2.969 1.00 0.00 O ATOM 821 OD2 ASP B 52 12.218 13.745 4.885 1.00 0.00 O1- ATOM 0 H ASP B 52 10.262 9.783 6.117 1.00 0.00 H new ATOM 0 HA ASP B 52 9.729 12.496 6.112 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.876 11.309 5.500 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.153 10.864 3.967 1.00 0.00 H new ATOM 826 N ILE B 53 8.448 10.961 3.476 1.00 0.00 N ATOM 827 CA ILE B 53 7.468 11.103 2.404 1.00 0.00 C ATOM 828 C ILE B 53 6.068 11.264 2.975 1.00 0.00 C ATOM 829 O ILE B 53 5.321 12.153 2.571 1.00 0.00 O ATOM 830 CB ILE B 53 7.471 9.888 1.455 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.851 9.688 0.832 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.415 10.040 0.369 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.683 8.634 1.517 1.00 0.00 C ATOM 0 H ILE B 53 8.904 10.049 3.512 1.00 0.00 H new ATOM 0 HA ILE B 53 7.750 11.992 1.840 1.00 0.00 H new ATOM 0 HB ILE B 53 7.228 9.004 2.045 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.730 9.416 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.390 10.635 0.856 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.439 9.169 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.430 10.122 0.828 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.619 10.938 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.648 8.551 1.017 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.837 8.913 2.559 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.166 7.675 1.470 1.00 0.00 H new ATOM 845 N TYR B 54 5.730 10.401 3.925 1.00 0.00 N ATOM 846 CA TYR B 54 4.406 10.398 4.539 1.00 0.00 C ATOM 847 C TYR B 54 4.048 11.766 5.132 1.00 0.00 C ATOM 848 O TYR B 54 2.877 12.148 5.167 1.00 0.00 O ATOM 849 CB TYR B 54 4.338 9.314 5.618 1.00 0.00 C ATOM 850 CG TYR B 54 2.969 9.153 6.237 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.918 8.606 5.512 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.724 9.558 7.543 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.663 8.467 6.070 1.00 0.00 C ATOM 854 CE2 TYR B 54 1.472 9.424 8.107 1.00 0.00 C ATOM 855 CZ TYR B 54 0.445 8.878 7.367 1.00 0.00 C ATOM 856 OH TYR B 54 -0.807 8.751 7.926 1.00 0.00 O ATOM 0 H TYR B 54 6.361 9.687 4.290 1.00 0.00 H new ATOM 0 HA TYR B 54 3.675 10.182 3.760 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.644 8.362 5.183 1.00 0.00 H new ATOM 0 HB3 TYR B 54 5.056 9.551 6.403 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.085 8.284 4.495 1.00 0.00 H new ATOM 0 HD2 TYR B 54 3.527 9.985 8.126 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.143 8.039 5.493 1.00 0.00 H new ATOM 0 HE2 TYR B 54 1.297 9.745 9.123 1.00 0.00 H new ATOM 0 HH TYR B 54 -0.790 9.087 8.846 1.00 0.00 H new ATOM 866 N GLN B 55 5.053 12.501 5.594 1.00 0.00 N ATOM 867 CA GLN B 55 4.820 13.827 6.159 1.00 0.00 C ATOM 868 C GLN B 55 4.912 14.908 5.082 1.00 0.00 C ATOM 869 O GLN B 55 4.364 16.000 5.235 1.00 0.00 O ATOM 870 CB GLN B 55 5.832 14.135 7.267 1.00 0.00 C ATOM 871 CG GLN B 55 5.919 13.074 8.354 1.00 0.00 C ATOM 872 CD GLN B 55 4.580 12.745 8.980 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.679 13.583 9.046 1.00 0.00 O ATOM 874 NE2 GLN B 55 4.446 11.520 9.462 1.00 0.00 N ATOM 0 H GLN B 55 6.029 12.206 5.589 1.00 0.00 H new ATOM 0 HA GLN B 55 3.814 13.827 6.580 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.817 14.259 6.818 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.570 15.088 7.727 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.347 12.165 7.931 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.601 13.416 9.132 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.216 10.856 9.387 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.572 11.240 9.908 1.00 0.00 H new ATOM 883 N ASN B 56 5.600 14.596 3.991 1.00 0.00 N ATOM 884 CA ASN B 56 5.884 15.579 2.948 1.00 0.00 C ATOM 885 C ASN B 56 5.069 15.341 1.683 1.00 0.00 C ATOM 886 O ASN B 56 5.497 15.704 0.586 1.00 0.00 O ATOM 887 CB ASN B 56 7.373 15.561 2.605 1.00 0.00 C ATOM 888 CG ASN B 56 8.203 16.326 3.616 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.435 17.527 3.466 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.657 15.641 4.651 1.00 0.00 N ATOM 0 H ASN B 56 5.974 13.666 3.803 1.00 0.00 H new ATOM 0 HA ASN B 56 5.600 16.554 3.343 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.721 14.529 2.558 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.521 15.992 1.615 1.00 0.00 H new ATOM 0 HD21 ASN B 56 9.222 16.106 5.362 1.00 0.00 H new ATOM 0 HD22 ASN B 56 8.443 14.648 4.739 1.00 0.00 H new ATOM 897 N SER B 57 3.912 14.720 1.820 1.00 0.00 N ATOM 898 CA SER B 57 3.040 14.502 0.676 1.00 0.00 C ATOM 899 C SER B 57 1.572 14.549 1.085 1.00 0.00 C ATOM 900 O SER B 57 0.967 13.525 1.409 1.00 0.00 O ATOM 901 CB SER B 57 3.373 13.171 -0.002 1.00 0.00 C ATOM 902 OG SER B 57 4.702 13.178 -0.497 1.00 0.00 O ATOM 0 H SER B 57 3.554 14.359 2.704 1.00 0.00 H new ATOM 0 HA SER B 57 3.210 15.307 -0.039 1.00 0.00 H new ATOM 0 HB2 SER B 57 3.249 12.354 0.709 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.676 12.990 -0.820 1.00 0.00 H new ATOM 0 HG SER B 57 5.316 12.891 0.211 1.00 0.00 H new ATOM 908 N ALA B 58 1.005 15.749 1.065 1.00 0.00 N ATOM 909 CA ALA B 58 -0.400 15.945 1.393 1.00 0.00 C ATOM 910 C ALA B 58 -1.294 15.242 0.382 1.00 0.00 C ATOM 911 O ALA B 58 -2.347 14.709 0.732 1.00 0.00 O ATOM 912 CB ALA B 58 -0.725 17.428 1.444 1.00 0.00 C ATOM 0 H ALA B 58 1.502 16.606 0.823 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.587 15.510 2.375 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -1.778 17.561 1.690 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.111 17.909 2.205 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.519 17.879 0.473 1.00 0.00 H new ATOM 918 N GLU B 59 -0.853 15.218 -0.869 1.00 0.00 N ATOM 919 CA GLU B 59 -1.607 14.581 -1.937 1.00 0.00 C ATOM 920 C GLU B 59 -1.627 13.067 -1.747 1.00 0.00 C ATOM 921 O GLU B 59 -2.509 12.379 -2.248 1.00 0.00 O ATOM 922 CB GLU B 59 -1.019 14.938 -3.307 1.00 0.00 C ATOM 923 CG GLU B 59 0.468 14.648 -3.437 1.00 0.00 C ATOM 924 CD GLU B 59 1.340 15.830 -3.078 1.00 0.00 C ATOM 925 OE1 GLU B 59 1.364 16.225 -1.898 1.00 0.00 O ATOM 926 OE2 GLU B 59 2.011 16.368 -3.979 1.00 0.00 O1- ATOM 0 H GLU B 59 0.028 15.635 -1.169 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.631 14.951 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.555 14.383 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.190 15.997 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.725 13.807 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.684 14.343 -4.461 1.00 0.00 H new ATOM 933 N LEU B 60 -0.652 12.559 -1.009 1.00 0.00 N ATOM 934 CA LEU B 60 -0.570 11.137 -0.715 1.00 0.00 C ATOM 935 C LEU B 60 -1.478 10.816 0.471 1.00 0.00 C ATOM 936 O LEU B 60 -2.149 9.784 0.502 1.00 0.00 O ATOM 937 CB LEU B 60 0.897 10.766 -0.424 1.00 0.00 C ATOM 938 CG LEU B 60 1.246 9.270 -0.333 1.00 0.00 C ATOM 939 CD1 LEU B 60 0.851 8.682 1.014 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.592 8.499 -1.467 1.00 0.00 C ATOM 0 H LEU B 60 0.099 13.115 -0.600 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.907 10.548 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.517 11.209 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.183 11.236 0.517 1.00 0.00 H new ATOM 0 HG LEU B 60 2.328 9.178 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.113 7.624 1.040 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.380 9.207 1.809 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -0.224 8.793 1.158 1.00 0.00 H new ATOM 0 HD21 LEU B 60 0.850 7.443 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.490 8.613 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU B 60 0.946 8.887 -2.422 1.00 0.00 H new ATOM 952 N GLN B 61 -1.517 11.734 1.428 1.00 0.00 N ATOM 953 CA GLN B 61 -2.312 11.559 2.633 1.00 0.00 C ATOM 954 C GLN B 61 -3.805 11.713 2.344 1.00 0.00 C ATOM 955 O GLN B 61 -4.632 11.054 2.974 1.00 0.00 O ATOM 956 CB GLN B 61 -1.854 12.557 3.706 1.00 0.00 C ATOM 957 CG GLN B 61 -2.731 12.597 4.953 1.00 0.00 C ATOM 958 CD GLN B 61 -2.940 11.237 5.597 1.00 0.00 C ATOM 959 OE1 GLN B 61 -3.982 10.983 6.198 1.00 0.00 O ATOM 960 NE2 GLN B 61 -1.960 10.356 5.476 1.00 0.00 N ATOM 0 H GLN B 61 -1.002 12.614 1.390 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.159 10.546 3.004 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.835 12.309 4.003 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -1.824 13.554 3.267 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.279 13.269 5.683 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.702 13.018 4.690 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -1.110 10.605 4.969 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -2.054 9.428 5.889 1.00 0.00 H new ATOM 969 N GLU B 62 -4.156 12.574 1.398 1.00 0.00 N ATOM 970 CA GLU B 62 -5.560 12.760 1.043 1.00 0.00 C ATOM 971 C GLU B 62 -6.121 11.489 0.409 1.00 0.00 C ATOM 972 O GLU B 62 -7.270 11.120 0.650 1.00 0.00 O ATOM 973 CB GLU B 62 -5.743 13.952 0.099 1.00 0.00 C ATOM 974 CG GLU B 62 -5.142 13.746 -1.277 1.00 0.00 C ATOM 975 CD GLU B 62 -5.459 14.880 -2.226 1.00 0.00 C ATOM 976 OE1 GLU B 62 -4.707 15.878 -2.246 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -6.467 14.784 -2.957 1.00 0.00 O ATOM 0 H GLU B 62 -3.500 13.148 0.868 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.112 12.971 1.959 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.808 14.158 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.292 14.834 0.553 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.061 13.645 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.515 12.811 -1.696 1.00 0.00 H new ATOM 984 N LEU B 63 -5.292 10.813 -0.378 1.00 0.00 N ATOM 985 CA LEU B 63 -5.692 9.578 -1.037 1.00 0.00 C ATOM 986 C LEU B 63 -5.893 8.475 -0.017 1.00 0.00 C ATOM 987 O LEU B 63 -6.819 7.674 -0.120 1.00 0.00 O ATOM 988 CB LEU B 63 -4.627 9.140 -2.041 1.00 0.00 C ATOM 989 CG LEU B 63 -4.308 10.149 -3.140 1.00 0.00 C ATOM 990 CD1 LEU B 63 -3.102 9.687 -3.935 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.507 10.349 -4.053 1.00 0.00 C ATOM 0 H LEU B 63 -4.334 11.102 -0.575 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.630 9.764 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.709 8.919 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.953 8.211 -2.508 1.00 0.00 H new ATOM 0 HG LEU B 63 -4.075 11.107 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.882 10.413 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.242 9.596 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.314 8.719 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.257 11.072 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.775 9.399 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.350 10.719 -3.470 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.033 8.460 0.986 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.026 7.414 1.970 1.00 0.00 C ATOM 1005 C LEU B 64 -6.248 7.507 2.890 1.00 0.00 C ATOM 1006 O LEU B 64 -6.513 6.601 3.677 1.00 0.00 O ATOM 1007 CB LEU B 64 -3.729 7.507 2.768 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.510 6.368 3.737 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -3.240 5.069 2.999 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -2.390 6.692 4.713 1.00 0.00 C ATOM 0 H LEU B 64 -4.323 9.177 1.133 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.080 6.446 1.471 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -2.890 7.543 2.073 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.724 8.446 3.322 1.00 0.00 H new ATOM 0 HG LEU B 64 -4.425 6.236 4.314 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -3.086 4.266 3.720 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -4.092 4.828 2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.348 5.179 2.383 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.252 5.856 5.399 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -1.466 6.865 4.162 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -2.648 7.587 5.279 1.00 0.00 H new ATOM 1022 N LYS B 65 -6.999 8.598 2.779 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.195 8.780 3.593 1.00 0.00 C ATOM 1024 C LYS B 65 -9.366 7.989 3.025 1.00 0.00 C ATOM 1025 O LYS B 65 -10.293 7.629 3.750 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.576 10.257 3.687 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.518 11.123 4.341 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.046 12.518 4.622 1.00 0.00 C ATOM 1029 CE LYS B 65 -7.005 13.375 5.320 1.00 0.00 C ATOM 1030 NZ LYS B 65 -5.814 13.597 4.467 1.00 0.00 N1+ ATOM 0 H LYS B 65 -6.802 9.366 2.137 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.967 8.410 4.593 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.773 10.636 2.684 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.505 10.348 4.250 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.191 10.661 5.272 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.644 11.186 3.692 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -8.341 12.992 3.686 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.940 12.452 5.242 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -7.445 14.336 5.587 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -6.702 12.894 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -5.098 14.129 5.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -5.419 12.680 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -6.088 14.139 3.623 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.317 7.715 1.730 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.395 7.001 1.061 1.00 0.00 C ATOM 1046 C TYR B 66 -10.395 5.537 1.470 1.00 0.00 C ATOM 1047 O TYR B 66 -9.370 4.858 1.392 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.254 7.130 -0.457 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.272 8.563 -0.934 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.399 9.350 -0.766 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.159 9.129 -1.535 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.418 10.668 -1.181 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.168 10.445 -1.957 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.299 11.210 -1.775 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.311 12.525 -2.184 1.00 0.00 O ATOM 0 H TYR B 66 -8.542 7.976 1.121 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.345 7.444 1.362 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.321 6.661 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.064 6.583 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.278 8.927 -0.303 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.270 8.532 -1.676 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.304 11.269 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.294 10.871 -2.427 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.445 12.752 -2.582 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.559 5.057 1.902 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.703 3.686 2.387 1.00 0.00 C ATOM 1067 C ASN B 67 -11.444 2.689 1.273 1.00 0.00 C ATOM 1068 O ASN B 67 -11.071 1.549 1.525 1.00 0.00 O ATOM 1069 CB ASN B 67 -13.100 3.443 2.962 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.385 4.257 4.206 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.478 4.592 4.970 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.651 4.572 4.421 1.00 0.00 N ATOM 0 H ASN B 67 -12.421 5.601 1.926 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.966 3.546 3.178 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.845 3.681 2.202 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -13.210 2.384 3.196 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.909 5.113 5.246 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.370 4.274 3.762 1.00 0.00 H new ATOM 1079 N THR B 68 -11.634 3.127 0.038 1.00 0.00 N ATOM 1080 CA THR B 68 -11.392 2.279 -1.114 1.00 0.00 C ATOM 1081 C THR B 68 -9.894 2.057 -1.276 1.00 0.00 C ATOM 1082 O THR B 68 -9.437 0.960 -1.610 1.00 0.00 O ATOM 1083 CB THR B 68 -11.976 2.919 -2.390 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.394 3.082 -2.248 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.679 2.075 -3.622 1.00 0.00 C ATOM 0 H THR B 68 -11.956 4.068 -0.190 1.00 0.00 H new ATOM 0 HA THR B 68 -11.885 1.319 -0.957 1.00 0.00 H new ATOM 0 HB THR B 68 -11.504 3.892 -2.523 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.759 3.490 -3.060 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.105 2.555 -4.503 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.600 1.980 -3.746 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.119 1.085 -3.500 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.143 3.110 -1.013 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.695 3.058 -1.024 1.00 0.00 C ATOM 1095 C VAL B 69 -7.201 2.224 0.141 1.00 0.00 C ATOM 1096 O VAL B 69 -6.514 1.216 -0.036 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.114 4.476 -0.911 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.606 4.452 -0.751 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -7.508 5.289 -2.120 1.00 0.00 C ATOM 0 H VAL B 69 -9.523 4.029 -0.785 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.369 2.607 -1.962 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.527 4.941 -0.016 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.232 5.473 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.345 3.901 0.152 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.156 3.965 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.093 6.293 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.121 4.812 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -8.595 5.349 -2.180 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.599 2.664 1.322 1.00 0.00 N ATOM 1110 CA LYS B 70 -7.246 2.023 2.581 1.00 0.00 C ATOM 1111 C LYS B 70 -7.519 0.511 2.533 1.00 0.00 C ATOM 1112 O LYS B 70 -6.704 -0.292 2.987 1.00 0.00 O ATOM 1113 CB LYS B 70 -8.059 2.680 3.700 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.610 2.330 5.106 1.00 0.00 C ATOM 1115 CD LYS B 70 -6.339 3.051 5.507 1.00 0.00 C ATOM 1116 CE LYS B 70 -6.605 4.507 5.856 1.00 0.00 C ATOM 1117 NZ LYS B 70 -7.623 4.642 6.936 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.186 3.490 1.437 1.00 0.00 H new ATOM 0 HA LYS B 70 -6.180 2.151 2.766 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.010 3.762 3.577 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -9.104 2.393 3.586 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -8.403 2.581 5.810 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.451 1.254 5.175 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -5.890 2.548 6.363 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -5.618 2.998 4.691 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -5.675 4.980 6.172 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.946 5.037 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.339 5.401 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.546 4.874 6.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.696 3.746 7.458 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.661 0.134 1.960 1.00 0.00 N ATOM 1132 CA PHE B 71 -9.044 -1.272 1.840 1.00 0.00 C ATOM 1133 C PHE B 71 -8.052 -2.067 0.991 1.00 0.00 C ATOM 1134 O PHE B 71 -7.573 -3.124 1.404 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.447 -1.392 1.234 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.779 -2.779 0.756 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -11.014 -3.803 1.658 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.849 -3.057 -0.600 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.312 -5.077 1.215 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -11.147 -4.328 -1.048 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.379 -5.340 -0.139 1.00 0.00 C ATOM 0 H PHE B 71 -9.341 0.787 1.570 1.00 0.00 H new ATOM 0 HA PHE B 71 -9.039 -1.693 2.846 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -11.183 -1.087 1.978 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.533 -0.698 0.398 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.964 -3.604 2.718 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.668 -2.269 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.493 -5.868 1.928 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.198 -4.530 -2.108 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.613 -6.336 -0.486 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.748 -1.557 -0.195 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.913 -2.286 -1.147 1.00 0.00 C ATOM 1153 C HIS B 72 -5.485 -2.415 -0.647 1.00 0.00 C ATOM 1154 O HIS B 72 -4.784 -3.368 -0.984 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.932 -1.607 -2.515 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.167 -1.904 -3.309 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.288 -1.103 -3.290 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.453 -2.926 -4.151 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.208 -1.619 -4.083 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.726 -2.723 -4.616 1.00 0.00 N ATOM 0 H HIS B 72 -8.065 -0.644 -0.522 1.00 0.00 H new ATOM 0 HA HIS B 72 -7.329 -3.288 -1.246 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.847 -0.529 -2.379 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.058 -1.926 -3.083 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.391 -0.245 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -7.800 -3.747 -4.408 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.189 -1.206 -4.264 1.00 0.00 H new ATOM 1169 N LEU B 73 -5.064 -1.464 0.165 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.728 -1.488 0.730 1.00 0.00 C ATOM 1171 C LEU B 73 -3.645 -2.514 1.859 1.00 0.00 C ATOM 1172 O LEU B 73 -2.589 -3.089 2.116 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.350 -0.097 1.231 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.357 1.004 0.168 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.937 2.327 0.779 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.445 0.642 -0.996 1.00 0.00 C ATOM 0 H LEU B 73 -5.629 -0.664 0.449 1.00 0.00 H new ATOM 0 HA LEU B 73 -3.020 -1.781 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -4.039 0.185 2.027 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.355 -0.146 1.674 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.372 1.102 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.946 3.101 0.012 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.631 2.597 1.575 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.931 2.235 1.190 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.468 1.440 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.425 0.513 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.788 -0.287 -1.452 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.772 -2.757 2.520 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.836 -3.765 3.570 1.00 0.00 C ATOM 1190 C ALA B 74 -4.712 -5.162 2.978 1.00 0.00 C ATOM 1191 O ALA B 74 -4.192 -6.078 3.619 1.00 0.00 O ATOM 1192 CB ALA B 74 -6.127 -3.631 4.360 1.00 0.00 C ATOM 0 H ALA B 74 -5.652 -2.270 2.347 1.00 0.00 H new ATOM 0 HA ALA B 74 -4.000 -3.606 4.251 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -6.157 -4.392 5.140 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -6.173 -2.642 4.816 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.978 -3.763 3.692 1.00 0.00 H new ATOM 1198 N LYS B 75 -5.181 -5.312 1.744 1.00 0.00 N ATOM 1199 CA LYS B 75 -5.093 -6.580 1.033 1.00 0.00 C ATOM 1200 C LYS B 75 -3.642 -7.026 0.893 1.00 0.00 C ATOM 1201 O LYS B 75 -3.328 -8.208 1.031 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.724 -6.459 -0.357 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.194 -6.061 -0.345 1.00 0.00 C ATOM 1204 CD LYS B 75 -8.057 -7.080 0.383 1.00 0.00 C ATOM 1205 CE LYS B 75 -8.018 -8.447 -0.284 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.615 -8.432 -1.646 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.629 -4.565 1.213 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.637 -7.325 1.613 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.165 -5.723 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.622 -7.413 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.302 -5.088 0.134 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.548 -5.953 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.717 -7.171 1.415 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -9.086 -6.723 0.417 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -6.985 -8.788 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -8.553 -9.166 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.673 -9.404 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -9.569 -8.021 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.021 -7.860 -2.279 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.756 -6.075 0.636 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.359 -6.399 0.400 1.00 0.00 C ATOM 1222 C VAL B 76 -0.601 -6.534 1.716 1.00 0.00 C ATOM 1223 O VAL B 76 0.357 -7.297 1.810 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.669 -5.359 -0.515 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.530 -5.084 -1.734 1.00 0.00 C ATOM 1226 CG2 VAL B 76 -0.361 -4.067 0.225 1.00 0.00 C ATOM 0 H VAL B 76 -2.978 -5.081 0.586 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.337 -7.359 -0.117 1.00 0.00 H new ATOM 0 HB VAL B 76 0.283 -5.781 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.035 -4.351 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.677 -6.009 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.497 -4.694 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.123 -3.365 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.288 -3.631 0.597 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.303 -4.277 1.063 1.00 0.00 H new ATOM 1236 N TYR B 77 -1.054 -5.815 2.742 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.425 -5.877 4.058 1.00 0.00 C ATOM 1238 C TYR B 77 -0.497 -7.293 4.624 1.00 0.00 C ATOM 1239 O TYR B 77 0.414 -7.741 5.329 1.00 0.00 O ATOM 1240 CB TYR B 77 -1.088 -4.884 5.017 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.557 -4.957 6.431 1.00 0.00 C ATOM 1242 CD1 TYR B 77 0.807 -4.891 6.685 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.419 -5.097 7.510 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.297 -4.966 7.973 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.937 -5.170 8.802 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.422 -5.106 9.028 1.00 0.00 C ATOM 1247 OH TYR B 77 0.907 -5.179 10.313 1.00 0.00 O ATOM 0 H TYR B 77 -1.853 -5.184 2.686 1.00 0.00 H new ATOM 0 HA TYR B 77 0.625 -5.604 3.948 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.944 -3.873 4.636 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -2.162 -5.069 5.032 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.496 -4.779 5.861 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.484 -5.150 7.336 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.361 -4.915 8.153 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.621 -5.277 9.631 1.00 0.00 H new ATOM 0 HH TYR B 77 0.160 -5.275 10.940 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.577 -7.996 4.300 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.728 -9.390 4.698 1.00 0.00 C ATOM 1259 C ARG B 78 -0.570 -10.218 4.156 1.00 0.00 C ATOM 1260 O ARG B 78 -0.040 -11.094 4.839 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.040 -9.963 4.176 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.257 -9.178 4.613 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.533 -9.967 4.397 1.00 0.00 C ATOM 1264 NE ARG B 78 -5.667 -10.453 3.021 1.00 0.00 N ATOM 1265 CZ ARG B 78 -6.829 -10.744 2.438 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -7.971 -10.544 3.081 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -6.842 -11.232 1.203 1.00 0.00 N ATOM 0 H ARG B 78 -2.360 -7.623 3.763 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.731 -9.431 5.787 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.007 -9.991 3.087 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.139 -10.993 4.519 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -4.164 -8.916 5.667 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.307 -8.243 4.056 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.552 -10.815 5.082 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -6.390 -9.340 4.642 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.815 -10.577 2.474 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.963 -10.165 4.028 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -8.857 -10.769 2.629 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -5.965 -11.383 0.705 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -7.729 -11.456 0.753 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.167 -9.890 2.932 1.00 0.00 N ATOM 1282 CA ILE B 79 0.842 -10.646 2.204 1.00 0.00 C ATOM 1283 C ILE B 79 2.225 -10.476 2.822 1.00 0.00 C ATOM 1284 O ILE B 79 2.919 -11.456 3.073 1.00 0.00 O ATOM 1285 CB ILE B 79 0.896 -10.210 0.727 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.485 -10.345 0.084 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.925 -11.036 -0.033 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.557 -9.778 -1.314 1.00 0.00 C ATOM 0 H ILE B 79 -0.533 -9.089 2.417 1.00 0.00 H new ATOM 0 HA ILE B 79 0.556 -11.696 2.265 1.00 0.00 H new ATOM 0 HB ILE B 79 1.197 -9.163 0.682 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -0.762 -11.399 0.055 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.220 -9.840 0.711 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.951 -10.716 -1.075 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.908 -10.894 0.415 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.653 -12.090 0.016 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.565 -9.908 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.311 -8.716 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE B 79 0.153 -10.300 -1.955 1.00 0.00 H new ATOM 1300 N LEU B 80 2.625 -9.234 3.074 1.00 0.00 N ATOM 1301 CA LEU B 80 3.952 -8.969 3.632 1.00 0.00 C ATOM 1302 C LEU B 80 4.081 -9.547 5.036 1.00 0.00 C ATOM 1303 O LEU B 80 5.188 -9.731 5.540 1.00 0.00 O ATOM 1304 CB LEU B 80 4.273 -7.468 3.662 1.00 0.00 C ATOM 1305 CG LEU B 80 4.546 -6.802 2.305 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.443 -7.671 1.438 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.249 -6.472 1.590 1.00 0.00 C ATOM 0 H LEU B 80 2.059 -8.402 2.904 1.00 0.00 H new ATOM 0 HA LEU B 80 4.671 -9.459 2.975 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.439 -6.950 4.136 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.145 -7.318 4.298 1.00 0.00 H new ATOM 0 HG LEU B 80 5.072 -5.866 2.493 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.619 -7.174 0.484 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.395 -7.831 1.945 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.959 -8.632 1.263 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.471 -6.001 0.632 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.683 -7.388 1.422 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.660 -5.789 2.202 1.00 0.00 H new ATOM 1319 N SER B 81 2.949 -9.829 5.662 1.00 0.00 N ATOM 1320 CA SER B 81 2.945 -10.426 6.984 1.00 0.00 C ATOM 1321 C SER B 81 2.962 -11.952 6.892 1.00 0.00 C ATOM 1322 O SER B 81 3.532 -12.625 7.752 1.00 0.00 O ATOM 1323 CB SER B 81 1.717 -9.957 7.766 1.00 0.00 C ATOM 1324 OG SER B 81 1.665 -8.538 7.830 1.00 0.00 O ATOM 0 H SER B 81 2.022 -9.653 5.274 1.00 0.00 H new ATOM 0 HA SER B 81 3.845 -10.107 7.509 1.00 0.00 H new ATOM 0 HB2 SER B 81 0.812 -10.337 7.291 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.744 -10.369 8.775 1.00 0.00 H new ATOM 0 HG SER B 81 1.224 -8.190 7.027 1.00 0.00 H new ATOM 1330 N SER B 82 2.355 -12.494 5.836 1.00 0.00 N ATOM 1331 CA SER B 82 2.218 -13.938 5.687 1.00 0.00 C ATOM 1332 C SER B 82 1.618 -14.301 4.330 1.00 0.00 C ATOM 1333 O SER B 82 0.775 -13.577 3.800 1.00 0.00 O ATOM 1334 CB SER B 82 1.323 -14.477 6.804 1.00 0.00 C ATOM 1335 OG SER B 82 0.165 -13.667 6.953 1.00 0.00 O ATOM 0 H SER B 82 1.951 -11.952 5.072 1.00 0.00 H new ATOM 0 HA SER B 82 3.209 -14.387 5.750 1.00 0.00 H new ATOM 0 HB2 SER B 82 1.029 -15.502 6.579 1.00 0.00 H new ATOM 0 HB3 SER B 82 1.878 -14.503 7.742 1.00 0.00 H new ATOM 0 HG SER B 82 -0.396 -14.028 7.671 1.00 0.00 H new ATOM 1341 N THR B 83 2.054 -15.423 3.769 1.00 0.00 N ATOM 1342 CA THR B 83 1.498 -15.906 2.512 1.00 0.00 C ATOM 1343 C THR B 83 0.311 -16.821 2.788 1.00 0.00 C ATOM 1344 O THR B 83 -0.546 -17.026 1.930 1.00 0.00 O ATOM 1345 CB THR B 83 2.553 -16.654 1.663 1.00 0.00 C ATOM 1346 OG1 THR B 83 2.040 -16.924 0.353 1.00 0.00 O ATOM 1347 CG2 THR B 83 2.975 -17.959 2.321 1.00 0.00 C ATOM 0 H THR B 83 2.787 -16.012 4.163 1.00 0.00 H new ATOM 0 HA THR B 83 1.170 -15.038 1.941 1.00 0.00 H new ATOM 0 HB THR B 83 3.428 -16.008 1.586 1.00 0.00 H new ATOM 0 HG1 THR B 83 2.719 -17.396 -0.173 1.00 0.00 H new ATOM 0 HG21 THR B 83 3.717 -18.458 1.697 1.00 0.00 H new ATOM 0 HG22 THR B 83 3.406 -17.750 3.300 1.00 0.00 H new ATOM 0 HG23 THR B 83 2.105 -18.606 2.438 1.00 0.00 H new ATOM 1355 N VAL B 84 0.276 -17.362 3.998 1.00 0.00 N ATOM 1356 CA VAL B 84 -0.803 -18.231 4.436 1.00 0.00 C ATOM 1357 C VAL B 84 -1.165 -17.912 5.875 1.00 0.00 C ATOM 1358 O VAL B 84 -0.387 -17.282 6.592 1.00 0.00 O ATOM 1359 CB VAL B 84 -0.424 -19.724 4.335 1.00 0.00 C ATOM 1360 CG1 VAL B 84 -0.372 -20.174 2.886 1.00 0.00 C ATOM 1361 CG2 VAL B 84 0.903 -19.994 5.031 1.00 0.00 C ATOM 0 H VAL B 84 0.997 -17.209 4.703 1.00 0.00 H new ATOM 0 HA VAL B 84 -1.653 -18.051 3.777 1.00 0.00 H new ATOM 0 HB VAL B 84 -1.197 -20.302 4.841 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -0.103 -21.229 2.842 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -1.349 -20.029 2.425 1.00 0.00 H new ATOM 0 HG13 VAL B 84 0.373 -19.587 2.349 1.00 0.00 H new ATOM 0 HG21 VAL B 84 1.149 -21.052 4.947 1.00 0.00 H new ATOM 0 HG22 VAL B 84 1.687 -19.400 4.562 1.00 0.00 H new ATOM 0 HG23 VAL B 84 0.824 -19.723 6.084 1.00 0.00 H new ATOM 1371 N ASN B 85 -2.331 -18.368 6.298 1.00 0.00 N ATOM 1372 CA ASN B 85 -2.829 -18.073 7.635 1.00 0.00 C ATOM 1373 C ASN B 85 -2.376 -19.137 8.624 1.00 0.00 C ATOM 1374 O ASN B 85 -2.886 -19.237 9.742 1.00 0.00 O ATOM 1375 CB ASN B 85 -4.358 -17.952 7.624 1.00 0.00 C ATOM 1376 CG ASN B 85 -5.049 -19.229 7.183 1.00 0.00 C ATOM 1377 OD1 ASN B 85 -5.417 -20.065 8.004 1.00 0.00 O ATOM 1378 ND2 ASN B 85 -5.218 -19.398 5.879 1.00 0.00 N ATOM 0 H ASN B 85 -2.954 -18.946 5.735 1.00 0.00 H new ATOM 0 HA ASN B 85 -2.414 -17.117 7.954 1.00 0.00 H new ATOM 0 HB2 ASN B 85 -4.703 -17.684 8.623 1.00 0.00 H new ATOM 0 HB3 ASN B 85 -4.648 -17.139 6.958 1.00 0.00 H new ATOM 0 HD21 ASN B 85 -5.667 -20.244 5.528 1.00 0.00 H new ATOM 0 HD22 ASN B 85 -4.899 -18.682 5.226 1.00 0.00 H new ATOM 1385 N ASP B 86 -1.406 -19.923 8.196 1.00 0.00 N ATOM 1386 CA ASP B 86 -0.795 -20.938 9.043 1.00 0.00 C ATOM 1387 C ASP B 86 0.383 -20.349 9.797 1.00 0.00 C ATOM 1388 O ASP B 86 0.601 -20.648 10.969 1.00 0.00 O ATOM 1389 CB ASP B 86 -0.327 -22.126 8.204 1.00 0.00 C ATOM 1390 CG ASP B 86 0.399 -23.174 9.027 1.00 0.00 C ATOM 1391 OD1 ASP B 86 -0.217 -23.751 9.946 1.00 0.00 O1- ATOM 1392 OD2 ASP B 86 1.594 -23.424 8.756 1.00 0.00 O ATOM 0 H ASP B 86 -1.018 -19.879 7.254 1.00 0.00 H new ATOM 0 HA ASP B 86 -1.542 -21.284 9.757 1.00 0.00 H new ATOM 0 HB2 ASP B 86 -1.188 -22.584 7.718 1.00 0.00 H new ATOM 0 HB3 ASP B 86 0.333 -21.770 7.413 1.00 0.00 H new ATOM 1397 N GLY B 87 1.134 -19.502 9.113 1.00 0.00 N ATOM 1398 CA GLY B 87 2.283 -18.868 9.723 1.00 0.00 C ATOM 1399 C GLY B 87 3.146 -18.150 8.708 1.00 0.00 C ATOM 1400 O GLY B 87 2.907 -16.978 8.412 1.00 0.00 O ATOM 0 H GLY B 87 0.968 -19.241 8.141 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.946 -18.158 10.478 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.880 -19.621 10.238 1.00 0.00 H new ATOM 1404 N SER B 88 4.131 -18.875 8.174 1.00 0.00 N ATOM 1405 CA SER B 88 5.110 -18.370 7.200 1.00 0.00 C ATOM 1406 C SER B 88 5.921 -17.181 7.738 1.00 0.00 C ATOM 1407 O SER B 88 5.537 -16.538 8.718 1.00 0.00 O ATOM 1408 CB SER B 88 4.453 -18.037 5.845 1.00 0.00 C ATOM 1409 OG SER B 88 3.498 -16.991 5.940 1.00 0.00 O ATOM 0 H SER B 88 4.277 -19.856 8.411 1.00 0.00 H new ATOM 0 HA SER B 88 5.818 -19.181 7.032 1.00 0.00 H new ATOM 0 HB2 SER B 88 5.226 -17.753 5.131 1.00 0.00 H new ATOM 0 HB3 SER B 88 3.969 -18.931 5.452 1.00 0.00 H new ATOM 0 HG SER B 88 3.494 -16.633 6.852 1.00 0.00 H new ATOM 1415 N SER B 89 7.060 -16.925 7.091 1.00 0.00 N ATOM 1416 CA SER B 89 7.981 -15.859 7.482 1.00 0.00 C ATOM 1417 C SER B 89 8.658 -16.187 8.815 1.00 0.00 C ATOM 1418 O SER B 89 8.135 -15.881 9.888 1.00 0.00 O ATOM 1419 CB SER B 89 7.258 -14.505 7.559 1.00 0.00 C ATOM 1420 OG SER B 89 8.169 -13.447 7.815 1.00 0.00 O ATOM 0 H SER B 89 7.370 -17.455 6.277 1.00 0.00 H new ATOM 0 HA SER B 89 8.753 -15.786 6.716 1.00 0.00 H new ATOM 0 HB2 SER B 89 6.733 -14.317 6.622 1.00 0.00 H new ATOM 0 HB3 SER B 89 6.504 -14.537 8.346 1.00 0.00 H new ATOM 0 HG SER B 89 7.681 -12.598 7.857 1.00 0.00 H new ATOM 1426 N GLY B 90 9.818 -16.829 8.736 1.00 0.00 N ATOM 1427 CA GLY B 90 10.572 -17.143 9.928 1.00 0.00 C ATOM 1428 C GLY B 90 11.849 -16.340 9.994 1.00 0.00 C ATOM 1429 O GLY B 90 12.032 -15.516 10.890 1.00 0.00 O ATOM 0 H GLY B 90 10.248 -17.137 7.864 1.00 0.00 H new ATOM 0 HA2 GLY B 90 9.965 -16.939 10.810 1.00 0.00 H new ATOM 0 HA3 GLY B 90 10.807 -18.207 9.943 1.00 0.00 H new ATOM 1433 N LYS B 91 12.739 -16.583 9.040 1.00 0.00 N ATOM 1434 CA LYS B 91 13.978 -15.821 8.934 1.00 0.00 C ATOM 1435 C LYS B 91 14.251 -15.459 7.485 1.00 0.00 C ATOM 1436 O LYS B 91 15.269 -14.850 7.154 1.00 0.00 O ATOM 1437 CB LYS B 91 15.145 -16.611 9.525 1.00 0.00 C ATOM 1438 CG LYS B 91 14.957 -16.924 10.997 1.00 0.00 C ATOM 1439 CD LYS B 91 16.134 -17.691 11.565 1.00 0.00 C ATOM 1440 CE LYS B 91 15.961 -17.932 13.053 1.00 0.00 C ATOM 1441 NZ LYS B 91 17.061 -18.755 13.612 1.00 0.00 N1+ ATOM 0 H LYS B 91 12.626 -17.303 8.327 1.00 0.00 H new ATOM 0 HA LYS B 91 13.870 -14.898 9.504 1.00 0.00 H new ATOM 0 HB2 LYS B 91 15.264 -17.543 8.972 1.00 0.00 H new ATOM 0 HB3 LYS B 91 16.066 -16.043 9.394 1.00 0.00 H new ATOM 0 HG2 LYS B 91 14.827 -15.995 11.552 1.00 0.00 H new ATOM 0 HG3 LYS B 91 14.045 -17.506 11.131 1.00 0.00 H new ATOM 0 HD2 LYS B 91 16.234 -18.645 11.048 1.00 0.00 H new ATOM 0 HD3 LYS B 91 17.054 -17.135 11.388 1.00 0.00 H new ATOM 0 HE2 LYS B 91 15.923 -16.975 13.574 1.00 0.00 H new ATOM 0 HE3 LYS B 91 15.008 -18.430 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 16.906 -18.897 14.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 17.082 -19.678 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 17.968 -18.268 13.465 1.00 0.00 H new ATOM 1455 N MET B 92 13.315 -15.846 6.641 1.00 0.00 N ATOM 1456 CA MET B 92 13.333 -15.544 5.217 1.00 0.00 C ATOM 1457 C MET B 92 11.893 -15.484 4.735 1.00 0.00 C ATOM 1458 O MET B 92 11.012 -15.107 5.508 1.00 0.00 O ATOM 1459 CB MET B 92 14.113 -16.604 4.427 1.00 0.00 C ATOM 1460 CG MET B 92 15.630 -16.527 4.576 1.00 0.00 C ATOM 1461 SD MET B 92 16.410 -15.311 3.483 1.00 0.00 S ATOM 1462 CE MET B 92 15.878 -13.761 4.204 1.00 0.00 C ATOM 0 H MET B 92 12.502 -16.391 6.929 1.00 0.00 H new ATOM 0 HA MET B 92 13.835 -14.590 5.054 1.00 0.00 H new ATOM 0 HB2 MET B 92 13.781 -17.592 4.746 1.00 0.00 H new ATOM 0 HB3 MET B 92 13.861 -16.508 3.371 1.00 0.00 H new ATOM 0 HG2 MET B 92 15.872 -16.281 5.610 1.00 0.00 H new ATOM 0 HG3 MET B 92 16.056 -17.510 4.374 1.00 0.00 H new ATOM 0 HE1 MET B 92 16.572 -12.970 3.920 1.00 0.00 H new ATOM 0 HE2 MET B 92 14.880 -13.515 3.842 1.00 0.00 H new ATOM 0 HE3 MET B 92 15.857 -13.853 5.290 1.00 0.00 H new ATOM 1472 N ASN B 93 11.660 -15.832 3.464 1.00 0.00 N ATOM 1473 CA ASN B 93 10.307 -15.932 2.903 1.00 0.00 C ATOM 1474 C ASN B 93 9.729 -14.546 2.593 1.00 0.00 C ATOM 1475 O ASN B 93 8.914 -14.388 1.688 1.00 0.00 O ATOM 1476 CB ASN B 93 9.392 -16.706 3.867 1.00 0.00 C ATOM 1477 CG ASN B 93 7.999 -16.932 3.325 1.00 0.00 C ATOM 1478 OD1 ASN B 93 7.719 -17.961 2.715 1.00 0.00 O ATOM 1479 ND2 ASN B 93 7.116 -15.978 3.551 1.00 0.00 N ATOM 0 H ASN B 93 12.400 -16.051 2.798 1.00 0.00 H new ATOM 0 HA ASN B 93 10.366 -16.479 1.962 1.00 0.00 H new ATOM 0 HB2 ASN B 93 9.847 -17.671 4.091 1.00 0.00 H new ATOM 0 HB3 ASN B 93 9.323 -16.160 4.808 1.00 0.00 H new ATOM 0 HD21 ASN B 93 6.158 -16.079 3.215 1.00 0.00 H new ATOM 0 HD22 ASN B 93 7.391 -15.139 4.062 1.00 0.00 H new ATOM 1486 N SER B 94 10.175 -13.546 3.337 1.00 0.00 N ATOM 1487 CA SER B 94 9.707 -12.176 3.182 1.00 0.00 C ATOM 1488 C SER B 94 10.045 -11.610 1.802 1.00 0.00 C ATOM 1489 O SER B 94 9.297 -10.797 1.256 1.00 0.00 O ATOM 1490 CB SER B 94 10.327 -11.307 4.272 1.00 0.00 C ATOM 1491 OG SER B 94 10.108 -11.874 5.555 1.00 0.00 O ATOM 0 H SER B 94 10.875 -13.662 4.069 1.00 0.00 H new ATOM 0 HA SER B 94 8.621 -12.175 3.275 1.00 0.00 H new ATOM 0 HB2 SER B 94 11.397 -11.201 4.094 1.00 0.00 H new ATOM 0 HB3 SER B 94 9.897 -10.306 4.234 1.00 0.00 H new ATOM 0 HG SER B 94 10.515 -11.302 6.239 1.00 0.00 H new ATOM 1497 N ASP B 95 11.161 -12.055 1.230 1.00 0.00 N ATOM 1498 CA ASP B 95 11.581 -11.587 -0.089 1.00 0.00 C ATOM 1499 C ASP B 95 10.655 -12.160 -1.148 1.00 0.00 C ATOM 1500 O ASP B 95 10.437 -11.568 -2.205 1.00 0.00 O ATOM 1501 CB ASP B 95 13.025 -12.000 -0.374 1.00 0.00 C ATOM 1502 CG ASP B 95 13.566 -11.401 -1.656 1.00 0.00 C ATOM 1503 OD1 ASP B 95 14.128 -10.289 -1.604 1.00 0.00 O ATOM 1504 OD2 ASP B 95 13.446 -12.044 -2.722 1.00 0.00 O1- ATOM 0 H ASP B 95 11.789 -12.736 1.657 1.00 0.00 H new ATOM 0 HA ASP B 95 11.528 -10.499 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP B 95 13.657 -11.693 0.460 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.082 -13.087 -0.434 1.00 0.00 H new ATOM 1509 N LEU B 96 10.106 -13.323 -0.840 1.00 0.00 N ATOM 1510 CA LEU B 96 9.120 -13.958 -1.677 1.00 0.00 C ATOM 1511 C LEU B 96 7.772 -13.249 -1.532 1.00 0.00 C ATOM 1512 O LEU B 96 7.051 -13.054 -2.511 1.00 0.00 O ATOM 1513 CB LEU B 96 9.038 -15.425 -1.266 1.00 0.00 C ATOM 1514 CG LEU B 96 7.644 -16.006 -1.122 1.00 0.00 C ATOM 1515 CD1 LEU B 96 7.089 -16.396 -2.475 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.692 -17.186 -0.180 1.00 0.00 C ATOM 0 H LEU B 96 10.337 -13.850 0.002 1.00 0.00 H new ATOM 0 HA LEU B 96 9.399 -13.894 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU B 96 9.581 -16.017 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.558 -15.543 -0.315 1.00 0.00 H new ATOM 0 HG LEU B 96 6.975 -15.254 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU B 96 6.089 -16.811 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU B 96 7.041 -15.516 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU B 96 7.738 -17.143 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.692 -17.607 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU B 96 8.364 -17.944 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.054 -16.859 0.795 1.00 0.00 H new ATOM 1528 N GLN B 97 7.452 -12.847 -0.304 1.00 0.00 N ATOM 1529 CA GLN B 97 6.221 -12.110 -0.031 1.00 0.00 C ATOM 1530 C GLN B 97 6.199 -10.795 -0.800 1.00 0.00 C ATOM 1531 O GLN B 97 5.135 -10.305 -1.172 1.00 0.00 O ATOM 1532 CB GLN B 97 6.066 -11.836 1.468 1.00 0.00 C ATOM 1533 CG GLN B 97 6.026 -13.094 2.318 1.00 0.00 C ATOM 1534 CD GLN B 97 4.916 -14.049 1.916 1.00 0.00 C ATOM 1535 OE1 GLN B 97 5.059 -15.261 2.036 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.795 -13.514 1.464 1.00 0.00 N ATOM 0 H GLN B 97 8.029 -13.020 0.519 1.00 0.00 H new ATOM 0 HA GLN B 97 5.385 -12.727 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.893 -11.209 1.801 1.00 0.00 H new ATOM 0 HB3 GLN B 97 5.150 -11.268 1.632 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.984 -13.608 2.242 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.896 -12.815 3.364 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.712 -12.501 1.377 1.00 0.00 H new ATOM 0 HE22 GLN B 97 3.013 -14.114 1.202 1.00 0.00 H new ATOM 1545 N LYS B 98 7.384 -10.230 -1.025 1.00 0.00 N ATOM 1546 CA LYS B 98 7.528 -9.035 -1.849 1.00 0.00 C ATOM 1547 C LYS B 98 6.860 -9.230 -3.210 1.00 0.00 C ATOM 1548 O LYS B 98 6.139 -8.356 -3.685 1.00 0.00 O ATOM 1549 CB LYS B 98 9.009 -8.695 -2.046 1.00 0.00 C ATOM 1550 CG LYS B 98 9.493 -7.494 -1.244 1.00 0.00 C ATOM 1551 CD LYS B 98 9.436 -7.735 0.256 1.00 0.00 C ATOM 1552 CE LYS B 98 9.906 -6.507 1.020 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.924 -6.723 2.492 1.00 0.00 N1+ ATOM 0 H LYS B 98 8.262 -10.584 -0.645 1.00 0.00 H new ATOM 0 HA LYS B 98 7.038 -8.210 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.608 -9.564 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.188 -8.505 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.517 -7.258 -1.532 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.883 -6.625 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS B 98 8.416 -7.983 0.550 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.060 -8.591 0.515 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.907 -6.235 0.684 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.252 -5.666 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 9.427 -5.941 2.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 9.449 -7.621 2.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.908 -6.759 2.826 1.00 0.00 H new ATOM 1567 N GLU B 99 7.084 -10.390 -3.817 1.00 0.00 N ATOM 1568 CA GLU B 99 6.538 -10.678 -5.138 1.00 0.00 C ATOM 1569 C GLU B 99 5.022 -10.745 -5.093 1.00 0.00 C ATOM 1570 O GLU B 99 4.336 -10.086 -5.874 1.00 0.00 O ATOM 1571 CB GLU B 99 7.085 -12.000 -5.671 1.00 0.00 C ATOM 1572 CG GLU B 99 6.686 -12.286 -7.110 1.00 0.00 C ATOM 1573 CD GLU B 99 6.955 -11.113 -8.030 1.00 0.00 C ATOM 1574 OE1 GLU B 99 7.923 -10.366 -7.776 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.204 -10.945 -9.017 1.00 0.00 O1- ATOM 0 H GLU B 99 7.639 -11.146 -3.416 1.00 0.00 H new ATOM 0 HA GLU B 99 6.840 -9.869 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU B 99 8.173 -11.989 -5.599 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.732 -12.813 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU B 99 7.233 -13.158 -7.469 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.626 -12.537 -7.147 1.00 0.00 H new ATOM 1582 N LEU B 100 4.504 -11.547 -4.174 1.00 0.00 N ATOM 1583 CA LEU B 100 3.065 -11.735 -4.052 1.00 0.00 C ATOM 1584 C LEU B 100 2.374 -10.411 -3.753 1.00 0.00 C ATOM 1585 O LEU B 100 1.237 -10.183 -4.165 1.00 0.00 O ATOM 1586 CB LEU B 100 2.732 -12.759 -2.960 1.00 0.00 C ATOM 1587 CG LEU B 100 2.855 -14.239 -3.358 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.914 -14.566 -4.508 1.00 0.00 C ATOM 1589 CD2 LEU B 100 4.287 -14.593 -3.727 1.00 0.00 C ATOM 0 H LEU B 100 5.058 -12.078 -3.502 1.00 0.00 H new ATOM 0 HA LEU B 100 2.698 -12.117 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.388 -12.577 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.712 -12.579 -2.621 1.00 0.00 H new ATOM 0 HG LEU B 100 2.571 -14.840 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU B 100 2.017 -15.618 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.886 -14.367 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU B 100 2.164 -13.948 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU B 100 4.342 -15.646 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.608 -13.979 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.939 -14.408 -2.873 1.00 0.00 H new ATOM 1601 N ALA B 101 3.077 -9.538 -3.043 1.00 0.00 N ATOM 1602 CA ALA B 101 2.563 -8.218 -2.736 1.00 0.00 C ATOM 1603 C ALA B 101 2.492 -7.363 -3.999 1.00 0.00 C ATOM 1604 O ALA B 101 1.458 -6.759 -4.284 1.00 0.00 O ATOM 1605 CB ALA B 101 3.416 -7.550 -1.668 1.00 0.00 C ATOM 0 H ALA B 101 4.008 -9.725 -2.670 1.00 0.00 H new ATOM 0 HA ALA B 101 1.551 -8.321 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.016 -6.560 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.403 -8.155 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.441 -7.456 -2.027 1.00 0.00 H new ATOM 1611 N VAL B 102 3.583 -7.335 -4.769 1.00 0.00 N ATOM 1612 CA VAL B 102 3.606 -6.596 -6.032 1.00 0.00 C ATOM 1613 C VAL B 102 2.529 -7.127 -6.977 1.00 0.00 C ATOM 1614 O VAL B 102 1.900 -6.361 -7.706 1.00 0.00 O ATOM 1615 CB VAL B 102 4.984 -6.670 -6.738 1.00 0.00 C ATOM 1616 CG1 VAL B 102 4.956 -5.926 -8.065 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.081 -6.103 -5.855 1.00 0.00 C ATOM 0 H VAL B 102 4.455 -7.812 -4.542 1.00 0.00 H new ATOM 0 HA VAL B 102 3.411 -5.552 -5.787 1.00 0.00 H new ATOM 0 HB VAL B 102 5.197 -7.722 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL B 102 5.935 -5.993 -8.540 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.205 -6.372 -8.717 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.709 -4.879 -7.890 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.037 -6.168 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.862 -5.060 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.133 -6.674 -4.928 1.00 0.00 H new ATOM 1627 N ASN B 103 2.305 -8.439 -6.927 1.00 0.00 N ATOM 1628 CA ASN B 103 1.275 -9.090 -7.738 1.00 0.00 C ATOM 1629 C ASN B 103 -0.076 -8.409 -7.563 1.00 0.00 C ATOM 1630 O ASN B 103 -0.858 -8.307 -8.509 1.00 0.00 O ATOM 1631 CB ASN B 103 1.152 -10.571 -7.369 1.00 0.00 C ATOM 1632 CG ASN B 103 2.012 -11.475 -8.229 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.546 -12.026 -9.228 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.269 -11.633 -7.857 1.00 0.00 N ATOM 0 H ASN B 103 2.828 -9.078 -6.328 1.00 0.00 H new ATOM 0 HA ASN B 103 1.577 -9.004 -8.782 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.431 -10.702 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.110 -10.876 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.892 -12.228 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.618 -11.160 -7.023 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.343 -7.936 -6.354 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.578 -7.223 -6.075 1.00 0.00 C ATOM 1643 C TYR B 104 -1.534 -5.818 -6.659 1.00 0.00 C ATOM 1644 O TYR B 104 -2.429 -5.428 -7.403 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.845 -7.165 -4.571 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.668 -8.325 -4.052 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.308 -9.640 -4.318 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.815 -8.100 -3.299 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -3.065 -10.696 -3.848 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.578 -9.150 -2.826 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.198 -10.445 -3.103 1.00 0.00 C ATOM 1652 OH TYR B 104 -4.954 -11.494 -2.634 1.00 0.00 O ATOM 0 H TYR B 104 0.280 -8.034 -5.552 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.394 -7.768 -6.548 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.892 -7.143 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.360 -6.233 -4.338 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.422 -9.840 -4.902 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.115 -7.086 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.771 -11.713 -4.063 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.466 -8.957 -2.243 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.717 -11.146 -2.127 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.476 -5.069 -6.357 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.378 -3.682 -6.817 1.00 0.00 C ATOM 1664 C LEU B 105 -0.343 -3.597 -8.339 1.00 0.00 C ATOM 1665 O LEU B 105 -0.743 -2.588 -8.916 1.00 0.00 O ATOM 1666 CB LEU B 105 0.846 -2.963 -6.236 1.00 0.00 C ATOM 1667 CG LEU B 105 0.753 -2.556 -4.760 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.567 -1.858 -4.468 1.00 0.00 C ATOM 1669 CD2 LEU B 105 0.942 -3.754 -3.850 1.00 0.00 C ATOM 0 H LEU B 105 0.317 -5.392 -5.803 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.275 -3.180 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.714 -3.610 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.030 -2.066 -6.828 1.00 0.00 H new ATOM 0 HG LEU B 105 1.559 -1.851 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.607 -1.580 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.648 -0.962 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.393 -2.531 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.871 -3.436 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.168 -4.494 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU B 105 1.923 -4.195 -4.028 1.00 0.00 H new ATOM 1681 N ASN B 106 0.117 -4.659 -8.988 1.00 0.00 N ATOM 1682 CA ASN B 106 0.141 -4.710 -10.449 1.00 0.00 C ATOM 1683 C ASN B 106 -1.268 -4.627 -11.025 1.00 0.00 C ATOM 1684 O ASN B 106 -1.456 -4.209 -12.165 1.00 0.00 O ATOM 1685 CB ASN B 106 0.829 -5.983 -10.951 1.00 0.00 C ATOM 1686 CG ASN B 106 2.332 -5.943 -10.770 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.943 -4.874 -10.757 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.940 -7.108 -10.644 1.00 0.00 N ATOM 0 H ASN B 106 0.478 -5.496 -8.530 1.00 0.00 H new ATOM 0 HA ASN B 106 0.713 -3.847 -10.791 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.425 -6.844 -10.418 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.598 -6.124 -12.007 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.953 -7.145 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.397 -7.971 -10.660 1.00 0.00 H new ATOM 1695 N THR B 107 -2.263 -5.001 -10.230 1.00 0.00 N ATOM 1696 CA THR B 107 -3.642 -4.960 -10.688 1.00 0.00 C ATOM 1697 C THR B 107 -4.306 -3.668 -10.229 1.00 0.00 C ATOM 1698 O THR B 107 -5.449 -3.376 -10.587 1.00 0.00 O ATOM 1699 CB THR B 107 -4.451 -6.174 -10.177 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.541 -6.159 -8.745 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.810 -7.476 -10.629 1.00 0.00 C ATOM 0 H THR B 107 -2.141 -5.333 -9.273 1.00 0.00 H new ATOM 0 HA THR B 107 -3.630 -5.000 -11.777 1.00 0.00 H new ATOM 0 HB THR B 107 -5.454 -6.105 -10.598 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.642 -6.219 -8.360 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.395 -8.318 -10.258 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.779 -7.507 -11.718 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.796 -7.538 -10.235 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.560 -2.896 -9.443 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.057 -1.658 -8.861 1.00 0.00 C ATOM 1711 C LEU B 108 -3.496 -0.436 -9.575 1.00 0.00 C ATOM 1712 O LEU B 108 -4.093 0.641 -9.533 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.678 -1.580 -7.382 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.682 -2.172 -6.389 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -6.030 -1.477 -6.504 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -4.835 -3.666 -6.594 1.00 0.00 C ATOM 0 H LEU B 108 -2.595 -3.113 -9.193 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.141 -1.662 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.724 -2.089 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -3.520 -0.533 -7.125 1.00 0.00 H new ATOM 0 HG LEU B 108 -4.294 -2.006 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -6.727 -1.914 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -5.911 -0.415 -6.291 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -6.419 -1.603 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.554 -4.060 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -5.190 -3.860 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -3.871 -4.154 -6.448 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.344 -0.600 -10.211 1.00 0.00 N ATOM 1729 CA ARG B 109 -1.681 0.513 -10.878 1.00 0.00 C ATOM 1730 C ARG B 109 -2.269 0.759 -12.263 1.00 0.00 C ATOM 1731 O ARG B 109 -3.216 0.084 -12.674 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.172 0.270 -10.976 1.00 0.00 C ATOM 1733 CG ARG B 109 0.539 0.300 -9.632 1.00 0.00 C ATOM 1734 CD ARG B 109 2.030 0.030 -9.774 1.00 0.00 C ATOM 1735 NE ARG B 109 2.703 1.026 -10.613 1.00 0.00 N ATOM 1736 CZ ARG B 109 3.985 1.376 -10.481 1.00 0.00 C ATOM 1737 NH1 ARG B 109 4.744 0.820 -9.545 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 4.516 2.275 -11.298 1.00 0.00 N ATOM 0 H ARG B 109 -1.850 -1.490 -10.279 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.850 1.405 -10.275 1.00 0.00 H new ATOM 0 HB2 ARG B 109 0.002 -0.697 -11.448 1.00 0.00 H new ATOM 0 HB3 ARG B 109 0.268 1.026 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG B 109 0.389 1.273 -9.163 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.096 -0.444 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG B 109 2.490 0.021 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG B 109 2.177 -0.961 -10.203 1.00 0.00 H new ATOM 0 HE ARG B 109 2.157 1.481 -11.345 1.00 0.00 H new ATOM 0 HH11 ARG B 109 4.349 0.119 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG B 109 5.722 1.094 -9.452 1.00 0.00 H new ATOM 0 HH21 ARG B 109 3.945 2.700 -12.029 1.00 0.00 H new ATOM 0 HH22 ARG B 109 5.495 2.541 -11.196 1.00 0.00 H new ATOM 1752 N TYR B 110 -1.698 1.724 -12.971 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.188 2.124 -14.284 1.00 0.00 C ATOM 1754 C TYR B 110 -2.255 0.931 -15.237 1.00 0.00 C ATOM 1755 O TYR B 110 -1.255 0.244 -15.469 1.00 0.00 O ATOM 1756 CB TYR B 110 -1.281 3.215 -14.860 1.00 0.00 C ATOM 1757 CG TYR B 110 -1.860 3.934 -16.057 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -2.897 4.844 -15.903 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -1.364 3.714 -17.336 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -3.425 5.513 -16.988 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -1.889 4.379 -18.428 1.00 0.00 C ATOM 1762 CZ TYR B 110 -2.919 5.278 -18.248 1.00 0.00 C ATOM 1763 OH TYR B 110 -3.445 5.948 -19.332 1.00 0.00 O ATOM 0 H TYR B 110 -0.884 2.251 -12.653 1.00 0.00 H new ATOM 0 HA TYR B 110 -3.199 2.515 -14.171 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -1.069 3.945 -14.079 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -0.329 2.767 -15.145 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -3.297 5.031 -14.917 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -0.556 3.012 -17.479 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -4.232 6.218 -16.850 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -1.495 4.196 -19.417 1.00 0.00 H new ATOM 0 HH TYR B 110 -2.977 5.670 -20.147 1.00 0.00 H new ATOM 1773 N GLY B 111 -3.442 0.685 -15.773 1.00 0.00 N ATOM 1774 CA GLY B 111 -3.621 -0.391 -16.724 1.00 0.00 C ATOM 1775 C GLY B 111 -3.862 -1.737 -16.068 1.00 0.00 C ATOM 1776 O GLY B 111 -3.624 -2.777 -16.680 1.00 0.00 O ATOM 0 H GLY B 111 -4.288 1.215 -15.564 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -4.463 -0.155 -17.374 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -2.737 -0.457 -17.358 1.00 0.00 H new ATOM 1780 N GLY B 112 -4.334 -1.728 -14.827 1.00 0.00 N ATOM 1781 CA GLY B 112 -4.658 -2.964 -14.155 1.00 0.00 C ATOM 1782 C GLY B 112 -6.063 -3.421 -14.475 1.00 0.00 C ATOM 1783 O GLY B 112 -6.651 -2.995 -15.469 1.00 0.00 O ATOM 0 H GLY B 112 -4.497 -0.885 -14.277 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -3.948 -3.736 -14.450 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -4.555 -2.831 -13.078 1.00 0.00 H new ATOM 1787 N ILE B 113 -6.609 -4.270 -13.629 1.00 0.00 N ATOM 1788 CA ILE B 113 -7.943 -4.812 -13.852 1.00 0.00 C ATOM 1789 C ILE B 113 -8.961 -4.173 -12.921 1.00 0.00 C ATOM 1790 O ILE B 113 -10.073 -3.851 -13.331 1.00 0.00 O ATOM 1791 CB ILE B 113 -7.976 -6.345 -13.687 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.319 -6.771 -12.370 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.286 -6.999 -14.869 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.390 -8.259 -12.105 1.00 0.00 C ATOM 0 H ILE B 113 -6.153 -4.603 -12.779 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.208 -4.574 -14.882 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.015 -6.672 -13.656 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.274 -6.463 -12.380 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.800 -6.242 -11.547 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.310 -8.082 -14.751 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -7.801 -6.723 -15.789 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.250 -6.662 -14.918 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.904 -8.483 -11.155 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.433 -8.571 -12.061 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.884 -8.796 -12.907 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.582 -4.003 -11.665 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.427 -3.324 -10.696 1.00 0.00 C ATOM 1808 C HIS B 114 -8.667 -2.143 -10.130 1.00 0.00 C ATOM 1809 O HIS B 114 -8.632 -1.927 -8.917 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.840 -4.270 -9.564 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.489 -5.534 -10.033 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.127 -6.775 -9.566 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.484 -5.746 -10.928 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.864 -7.696 -10.152 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.698 -7.101 -10.982 1.00 0.00 N ATOM 0 H HIS B 114 -7.690 -4.328 -11.291 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.335 -2.984 -11.194 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -8.958 -4.523 -8.976 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.527 -3.746 -8.899 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.010 -4.991 -11.493 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.796 -8.760 -9.981 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.389 -7.570 -11.568 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.042 -1.389 -11.020 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.191 -0.293 -10.610 1.00 0.00 C ATOM 1826 C TYR B 115 -8.040 0.883 -10.152 1.00 0.00 C ATOM 1827 O TYR B 115 -9.175 1.057 -10.595 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.235 0.115 -11.739 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.811 1.096 -12.728 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -6.678 2.461 -12.519 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -7.481 0.664 -13.860 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.201 3.371 -13.406 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -8.010 1.568 -14.758 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.870 2.921 -14.528 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.404 3.824 -15.420 1.00 0.00 O ATOM 0 H TYR B 115 -8.110 -1.519 -12.029 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.579 -0.622 -9.770 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.338 0.549 -11.298 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -5.925 -0.781 -12.276 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -6.154 2.815 -11.643 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -7.591 -0.395 -14.042 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -7.090 4.430 -13.227 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -8.531 1.218 -15.637 1.00 0.00 H new ATOM 0 HH TYR B 115 -8.840 3.341 -16.153 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.492 1.672 -9.252 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.206 2.804 -8.691 1.00 0.00 C ATOM 1847 C ASN B 116 -7.382 4.063 -8.868 1.00 0.00 C ATOM 1848 O ASN B 116 -6.159 4.030 -8.748 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.500 2.555 -7.210 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.631 1.564 -7.004 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -10.792 1.948 -6.897 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -9.307 0.281 -6.963 1.00 0.00 N ATOM 0 H ASN B 116 -6.546 1.550 -8.890 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.155 2.930 -9.213 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.600 2.182 -6.721 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.756 3.499 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.033 -0.425 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -8.331 -0.002 -7.055 1.00 0.00 H new ATOM 1859 N GLU B 117 -8.062 5.170 -9.156 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.394 6.434 -9.448 1.00 0.00 C ATOM 1861 C GLU B 117 -6.571 6.903 -8.258 1.00 0.00 C ATOM 1862 O GLU B 117 -5.489 7.465 -8.422 1.00 0.00 O ATOM 1863 CB GLU B 117 -8.413 7.514 -9.830 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.435 7.805 -8.743 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.245 9.050 -9.023 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.738 10.162 -8.762 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -11.393 8.927 -9.498 1.00 0.00 O1- ATOM 0 H GLU B 117 -9.080 5.216 -9.193 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.725 6.265 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.880 8.434 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.936 7.203 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -10.108 6.953 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.922 7.917 -7.788 1.00 0.00 H new ATOM 1874 N ALA B 118 -7.082 6.656 -7.060 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.404 7.078 -5.852 1.00 0.00 C ATOM 1876 C ALA B 118 -5.251 6.142 -5.528 1.00 0.00 C ATOM 1877 O ALA B 118 -4.303 6.532 -4.859 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.381 7.159 -4.695 1.00 0.00 C ATOM 0 H ALA B 118 -7.963 6.166 -6.903 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.991 8.073 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.854 7.478 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -8.165 7.879 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.827 6.179 -4.526 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.332 4.908 -6.016 1.00 0.00 N ATOM 1885 CA ILE B 119 -4.242 3.956 -5.846 1.00 0.00 C ATOM 1886 C ILE B 119 -3.154 4.232 -6.874 1.00 0.00 C ATOM 1887 O ILE B 119 -1.963 4.181 -6.561 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.713 2.487 -5.973 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.741 2.153 -4.890 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.523 1.541 -5.872 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.158 2.135 -3.495 1.00 0.00 C ATOM 0 H ILE B 119 -6.136 4.546 -6.529 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.852 4.088 -4.837 1.00 0.00 H new ATOM 0 HB ILE B 119 -5.184 2.362 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.549 2.883 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -6.181 1.179 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.868 0.511 -5.963 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.816 1.759 -6.673 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -3.032 1.675 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.941 1.892 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.369 1.385 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.743 3.116 -3.261 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.575 4.535 -8.099 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.652 4.915 -9.154 1.00 0.00 C ATOM 1905 C GLU B 120 -1.825 6.110 -8.690 1.00 0.00 C ATOM 1906 O GLU B 120 -0.598 6.073 -8.704 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.438 5.259 -10.425 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.692 4.987 -11.725 1.00 0.00 C ATOM 1909 CD GLU B 120 -1.490 5.879 -11.935 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -1.669 7.109 -12.064 1.00 0.00 O1- ATOM 1911 OE2 GLU B 120 -0.361 5.350 -11.987 1.00 0.00 O ATOM 0 H GLU B 120 -4.555 4.523 -8.382 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.979 4.087 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -4.366 4.688 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.712 6.313 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -2.367 3.947 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -3.379 5.116 -12.561 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.507 7.149 -8.228 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.832 8.336 -7.726 1.00 0.00 C ATOM 1920 C GLU B 121 -1.045 8.024 -6.456 1.00 0.00 C ATOM 1921 O GLU B 121 0.048 8.549 -6.261 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.837 9.457 -7.468 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.489 9.982 -8.733 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.505 11.070 -8.461 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -4.097 12.202 -8.121 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -5.717 10.802 -8.595 1.00 0.00 O ATOM 0 H GLU B 121 -3.525 7.193 -8.191 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.127 8.669 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.611 9.093 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.332 10.279 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.718 10.369 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.977 9.158 -9.254 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.600 7.160 -5.603 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.933 6.766 -4.362 1.00 0.00 C ATOM 1935 C PHE B 122 0.473 6.258 -4.652 1.00 0.00 C ATOM 1936 O PHE B 122 1.448 6.757 -4.090 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.743 5.685 -3.626 1.00 0.00 C ATOM 1938 CG PHE B 122 -1.131 5.225 -2.324 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.144 4.249 -2.322 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -1.534 5.765 -1.103 1.00 0.00 C ATOM 1941 CE1 PHE B 122 0.431 3.823 -1.142 1.00 0.00 C ATOM 1942 CE2 PHE B 122 -0.959 5.339 0.077 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.025 4.369 0.059 1.00 0.00 C ATOM 0 H PHE B 122 -2.509 6.721 -5.750 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.865 7.644 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.743 6.070 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.858 4.823 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE B 122 0.179 3.817 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE B 122 -2.303 6.523 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE B 122 1.198 3.063 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE B 122 -1.279 5.765 1.017 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.476 4.039 0.983 1.00 0.00 H new ATOM 1953 N CYS B 123 0.581 5.278 -5.542 1.00 0.00 N ATOM 1954 CA CYS B 123 1.875 4.699 -5.857 1.00 0.00 C ATOM 1955 C CYS B 123 2.767 5.717 -6.563 1.00 0.00 C ATOM 1956 O CYS B 123 3.962 5.791 -6.282 1.00 0.00 O ATOM 1957 CB CYS B 123 1.726 3.420 -6.693 1.00 0.00 C ATOM 1958 SG CYS B 123 0.915 3.630 -8.296 1.00 0.00 S ATOM 0 H CYS B 123 -0.205 4.873 -6.052 1.00 0.00 H new ATOM 0 HA CYS B 123 2.355 4.423 -4.918 1.00 0.00 H new ATOM 0 HB2 CYS B 123 2.717 2.997 -6.859 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.162 2.690 -6.112 1.00 0.00 H new ATOM 0 HG CYS B 123 0.053 4.600 -8.222 1.00 0.00 H new ATOM 1964 N GLN B 124 2.175 6.528 -7.440 1.00 0.00 N ATOM 1965 CA GLN B 124 2.934 7.521 -8.200 1.00 0.00 C ATOM 1966 C GLN B 124 3.571 8.553 -7.277 1.00 0.00 C ATOM 1967 O GLN B 124 4.777 8.788 -7.337 1.00 0.00 O ATOM 1968 CB GLN B 124 2.044 8.238 -9.220 1.00 0.00 C ATOM 1969 CG GLN B 124 1.559 7.354 -10.358 1.00 0.00 C ATOM 1970 CD GLN B 124 2.688 6.668 -11.096 1.00 0.00 C ATOM 1971 OE1 GLN B 124 3.806 7.183 -11.176 1.00 0.00 O ATOM 1972 NE2 GLN B 124 2.396 5.510 -11.662 1.00 0.00 N ATOM 0 H GLN B 124 1.175 6.517 -7.641 1.00 0.00 H new ATOM 0 HA GLN B 124 3.720 6.983 -8.730 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.178 8.651 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN B 124 2.596 9.079 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN B 124 0.880 6.599 -9.961 1.00 0.00 H new ATOM 0 HG3 GLN B 124 0.987 7.958 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN B 124 1.458 5.120 -11.571 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.109 5.006 -12.190 1.00 0.00 H new ATOM 1981 N ILE B 125 2.752 9.160 -6.427 1.00 0.00 N ATOM 1982 CA ILE B 125 3.210 10.195 -5.505 1.00 0.00 C ATOM 1983 C ILE B 125 4.230 9.635 -4.521 1.00 0.00 C ATOM 1984 O ILE B 125 5.241 10.271 -4.220 1.00 0.00 O ATOM 1985 CB ILE B 125 2.021 10.790 -4.720 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.013 11.412 -5.687 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.505 11.822 -3.710 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.331 11.703 -5.060 1.00 0.00 C ATOM 0 H ILE B 125 1.756 8.951 -6.356 1.00 0.00 H new ATOM 0 HA ILE B 125 3.680 10.979 -6.098 1.00 0.00 H new ATOM 0 HB ILE B 125 1.529 9.987 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.427 12.339 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.871 10.739 -6.533 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.651 12.229 -3.168 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.190 11.349 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.021 12.628 -4.232 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.993 12.143 -5.806 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.768 10.776 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.203 12.401 -4.232 1.00 0.00 H new ATOM 2000 N LEU B 126 3.954 8.436 -4.034 1.00 0.00 N ATOM 2001 CA LEU B 126 4.824 7.772 -3.076 1.00 0.00 C ATOM 2002 C LEU B 126 6.199 7.547 -3.679 1.00 0.00 C ATOM 2003 O LEU B 126 7.210 8.064 -3.194 1.00 0.00 O ATOM 2004 CB LEU B 126 4.223 6.419 -2.705 1.00 0.00 C ATOM 2005 CG LEU B 126 4.558 5.891 -1.325 1.00 0.00 C ATOM 2006 CD1 LEU B 126 3.985 4.499 -1.153 1.00 0.00 C ATOM 2007 CD2 LEU B 126 6.046 5.895 -1.038 1.00 0.00 C ATOM 0 H LEU B 126 3.126 7.898 -4.289 1.00 0.00 H new ATOM 0 HA LEU B 126 4.918 8.401 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.139 6.492 -2.790 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.552 5.685 -3.441 1.00 0.00 H new ATOM 0 HG LEU B 126 4.102 6.567 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU B 126 4.229 4.125 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU B 126 2.902 4.534 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.411 3.835 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.224 5.506 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.559 5.268 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.427 6.914 -1.105 1.00 0.00 H new ATOM 2019 N LEU B 127 6.216 6.774 -4.750 1.00 0.00 N ATOM 2020 CA LEU B 127 7.464 6.376 -5.386 1.00 0.00 C ATOM 2021 C LEU B 127 8.197 7.600 -5.918 1.00 0.00 C ATOM 2022 O LEU B 127 9.422 7.594 -6.058 1.00 0.00 O ATOM 2023 CB LEU B 127 7.223 5.350 -6.513 1.00 0.00 C ATOM 2024 CG LEU B 127 6.672 5.898 -7.843 1.00 0.00 C ATOM 2025 CD1 LEU B 127 7.799 6.369 -8.755 1.00 0.00 C ATOM 2026 CD2 LEU B 127 5.833 4.842 -8.549 1.00 0.00 C ATOM 0 H LEU B 127 5.378 6.407 -5.201 1.00 0.00 H new ATOM 0 HA LEU B 127 8.087 5.893 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.166 4.843 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.529 4.595 -6.143 1.00 0.00 H new ATOM 0 HG LEU B 127 6.040 6.756 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.379 6.750 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.361 7.161 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.464 5.533 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.452 5.247 -9.487 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.449 3.966 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU B 127 4.997 4.555 -7.911 1.00 0.00 H new ATOM 2038 N ASP B 128 7.429 8.641 -6.211 1.00 0.00 N ATOM 2039 CA ASP B 128 7.971 9.902 -6.690 1.00 0.00 C ATOM 2040 C ASP B 128 9.010 10.433 -5.722 1.00 0.00 C ATOM 2041 O ASP B 128 10.136 10.747 -6.107 1.00 0.00 O ATOM 2042 CB ASP B 128 6.848 10.923 -6.835 1.00 0.00 C ATOM 2043 CG ASP B 128 7.328 12.244 -7.402 1.00 0.00 C ATOM 2044 OD1 ASP B 128 7.671 12.294 -8.598 1.00 0.00 O ATOM 2045 OD2 ASP B 128 7.365 13.240 -6.654 1.00 0.00 O1- ATOM 0 H ASP B 128 6.413 8.633 -6.123 1.00 0.00 H new ATOM 0 HA ASP B 128 8.442 9.733 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.073 10.514 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP B 128 6.391 11.095 -5.861 1.00 0.00 H new ATOM 2050 N LYS B 129 8.629 10.499 -4.458 1.00 0.00 N ATOM 2051 CA LYS B 129 9.508 11.025 -3.428 1.00 0.00 C ATOM 2052 C LYS B 129 10.575 9.991 -3.067 1.00 0.00 C ATOM 2053 O LYS B 129 11.688 10.344 -2.683 1.00 0.00 O ATOM 2054 CB LYS B 129 8.707 11.422 -2.183 1.00 0.00 C ATOM 2055 CG LYS B 129 7.382 12.117 -2.479 1.00 0.00 C ATOM 2056 CD LYS B 129 7.545 13.315 -3.401 1.00 0.00 C ATOM 2057 CE LYS B 129 6.196 13.921 -3.755 1.00 0.00 C ATOM 2058 NZ LYS B 129 6.302 14.902 -4.868 1.00 0.00 N1+ ATOM 0 H LYS B 129 7.716 10.195 -4.120 1.00 0.00 H new ATOM 0 HA LYS B 129 10.000 11.917 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.510 10.527 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.319 12.081 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.695 11.403 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.929 12.443 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.169 14.067 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.060 13.009 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS B 129 5.504 13.127 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS B 129 5.777 14.413 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.420 15.449 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 7.097 15.547 -4.687 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 6.463 14.396 -5.762 1.00 0.00 H new ATOM 2072 N LEU B 130 10.229 8.710 -3.210 1.00 0.00 N ATOM 2073 CA LEU B 130 11.177 7.618 -2.970 1.00 0.00 C ATOM 2074 C LEU B 130 12.331 7.657 -3.964 1.00 0.00 C ATOM 2075 O LEU B 130 13.451 7.254 -3.650 1.00 0.00 O ATOM 2076 CB LEU B 130 10.483 6.260 -3.067 1.00 0.00 C ATOM 2077 CG LEU B 130 9.470 5.956 -1.967 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.830 4.606 -2.212 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.130 5.981 -0.598 1.00 0.00 C ATOM 0 H LEU B 130 9.298 8.402 -3.491 1.00 0.00 H new ATOM 0 HA LEU B 130 11.570 7.753 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.976 6.200 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.246 5.481 -3.059 1.00 0.00 H new ATOM 0 HG LEU B 130 8.700 6.727 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU B 130 8.108 4.397 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.321 4.614 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.599 3.834 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.387 5.761 0.168 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.921 5.232 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.556 6.968 -0.418 1.00 0.00 H new ATOM 2091 N ASN B 131 12.055 8.121 -5.170 1.00 0.00 N ATOM 2092 CA ASN B 131 13.094 8.256 -6.178 1.00 0.00 C ATOM 2093 C ASN B 131 13.744 9.628 -6.101 1.00 0.00 C ATOM 2094 O ASN B 131 14.854 9.827 -6.588 1.00 0.00 O ATOM 2095 CB ASN B 131 12.534 8.008 -7.580 1.00 0.00 C ATOM 2096 CG ASN B 131 12.357 6.532 -7.883 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.274 5.877 -8.375 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.182 5.994 -7.592 1.00 0.00 N ATOM 0 H ASN B 131 11.125 8.410 -5.475 1.00 0.00 H new ATOM 0 HA ASN B 131 13.855 7.502 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.573 8.513 -7.678 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.204 8.449 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.015 5.005 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.445 6.569 -7.184 1.00 0.00 H new ATOM 2105 N ALA B 132 13.059 10.562 -5.458 1.00 0.00 N ATOM 2106 CA ALA B 132 13.561 11.925 -5.327 1.00 0.00 C ATOM 2107 C ALA B 132 14.362 12.101 -4.042 1.00 0.00 C ATOM 2108 O ALA B 132 14.767 13.209 -3.694 1.00 0.00 O ATOM 2109 CB ALA B 132 12.415 12.924 -5.379 1.00 0.00 C ATOM 0 H ALA B 132 12.153 10.402 -5.018 1.00 0.00 H new ATOM 0 HA ALA B 132 14.229 12.115 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA B 132 12.809 13.935 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA B 132 11.893 12.830 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA B 132 11.720 12.724 -4.563 1.00 0.00 H new ATOM 2115 N VAL B 133 14.579 11.007 -3.334 1.00 0.00 N ATOM 2116 CA VAL B 133 15.415 11.028 -2.144 1.00 0.00 C ATOM 2117 C VAL B 133 16.755 10.363 -2.447 1.00 0.00 C ATOM 2118 O VAL B 133 17.721 10.477 -1.692 1.00 0.00 O ATOM 2119 CB VAL B 133 14.724 10.322 -0.952 1.00 0.00 C ATOM 2120 CG1 VAL B 133 14.380 8.884 -1.294 1.00 0.00 C ATOM 2121 CG2 VAL B 133 15.604 10.373 0.281 1.00 0.00 C ATOM 0 H VAL B 133 14.189 10.092 -3.561 1.00 0.00 H new ATOM 0 HA VAL B 133 15.579 12.068 -1.861 1.00 0.00 H new ATOM 0 HB VAL B 133 13.796 10.853 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL B 133 13.896 8.412 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL B 133 13.705 8.865 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL B 133 15.292 8.340 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL B 133 15.101 9.872 1.108 1.00 0.00 H new ATOM 0 HG22 VAL B 133 16.550 9.872 0.074 1.00 0.00 H new ATOM 0 HG23 VAL B 133 15.795 11.412 0.549 1.00 0.00 H new ATOM 2131 N LYS B 134 16.803 9.692 -3.585 1.00 0.00 N ATOM 2132 CA LYS B 134 17.991 8.963 -4.013 1.00 0.00 C ATOM 2133 C LYS B 134 19.062 9.911 -4.546 1.00 0.00 C ATOM 2134 O LYS B 134 19.364 9.916 -5.740 1.00 0.00 O ATOM 2135 CB LYS B 134 17.629 7.934 -5.088 1.00 0.00 C ATOM 2136 CG LYS B 134 16.679 6.847 -4.614 1.00 0.00 C ATOM 2137 CD LYS B 134 17.297 6.013 -3.502 1.00 0.00 C ATOM 2138 CE LYS B 134 16.472 4.772 -3.208 1.00 0.00 C ATOM 2139 NZ LYS B 134 15.073 5.102 -2.833 1.00 0.00 N1+ ATOM 0 H LYS B 134 16.023 9.635 -4.239 1.00 0.00 H new ATOM 0 HA LYS B 134 18.393 8.446 -3.142 1.00 0.00 H new ATOM 0 HB2 LYS B 134 17.177 8.452 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS B 134 18.545 7.468 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS B 134 15.754 7.300 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS B 134 16.416 6.201 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS B 134 18.308 5.720 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS B 134 17.382 6.616 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS B 134 16.468 4.125 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS B 134 16.940 4.210 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 134 14.506 4.231 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 134 15.062 5.551 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS B 134 14.671 5.756 -3.534 1.00 0.00 H new ATOM 2153 N LYS B 135 19.617 10.704 -3.639 1.00 0.00 N ATOM 2154 CA LYS B 135 20.703 11.631 -3.943 1.00 0.00 C ATOM 2155 C LYS B 135 20.315 12.563 -5.088 1.00 0.00 C ATOM 2156 O LYS B 135 19.374 13.361 -4.908 1.00 0.00 O ATOM 2157 CB LYS B 135 21.992 10.868 -4.288 1.00 0.00 C ATOM 2158 CG LYS B 135 22.350 9.760 -3.299 1.00 0.00 C ATOM 2159 CD LYS B 135 22.329 10.243 -1.854 1.00 0.00 C ATOM 2160 CE LYS B 135 23.335 11.354 -1.605 1.00 0.00 C ATOM 2161 NZ LYS B 135 24.738 10.890 -1.763 1.00 0.00 N1+ ATOM 2162 OXT LYS B 135 20.953 12.506 -6.159 1.00 0.00 O ATOM 0 H LYS B 135 19.324 10.723 -2.662 1.00 0.00 H new ATOM 0 HA LYS B 135 20.888 12.235 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS B 135 21.888 10.432 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS B 135 22.818 11.577 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS B 135 21.648 8.934 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS B 135 23.341 9.372 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS B 135 21.329 10.599 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS B 135 22.543 9.406 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS B 135 23.146 12.174 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS B 135 23.196 11.748 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 135 25.389 11.652 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS B 135 24.899 10.059 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 135 24.909 10.633 -2.756 1.00 0.00 H new TER 2176 LYS B 135