USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 969 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 51:sc= 0.876 USER MOD Set 1.2: A 105 SER OG : rot 127:sc= 0.525 USER MOD Set 2.1: A 39 HIS : no HD1:sc= 0.325 K(o=1.7,f=-3.9!) USER MOD Set 2.2: A 109 TYR OH : rot -9:sc= 1.33 USER MOD Set 3.1: A 6 ASN :FLIP amide:sc= -0.0518 F(o=-1.3,f=-0.052) USER MOD Set 3.2: A 10 GLN : amide:sc= 0 X(o=-0.052,f=-0.38) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0965 (180deg=-0.0817) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.3) USER MOD Single : A 15 CYS SG : rot -155:sc= -2.75! USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -141:sc= 0 (180deg=-0.126) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.253 K(o=-0.25,f=-6.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -2.61! USER MOD Single : A 45 MET CE :methyl -148:sc= -0.0128 (180deg=-1.3) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 53 SER OG : rot 69:sc= 0.0178 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl -113:sc= -0.577 (180deg=-1.85!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.001 X(o=-0.001,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0342 (180deg=-0.212) USER MOD Single : A 79 CYS SG : rot 106:sc= 1.88 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.865 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.401 K(o=-0.4,f=-2.2!) USER MOD Single : A 93 MET CE :methyl 159:sc= -0.155 (180deg=-0.797) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 120:sc= 0 USER MOD Single : A 102 THR OG1 : rot 134:sc= 0.658 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -2.01! C(o=-2!,f=-5.5!) USER MOD Single : A 118 HIS : no HE2:sc= -0.0406 K(o=-0.041,f=-4.2!) USER MOD Single : A 125 HIS : no HD1:sc= -0.0512 X(o=-0.051,f=-0.21) USER MOD Single : A 126 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.37) USER MOD Single : A 127 HIS : no HD1:sc=-0.00183 X(o=-0.0018,f=-0.0018) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc=-0.00399 X(o=-0.004,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.691 28.507 -39.141 1.00 0.00 N ATOM 2 CA MET A 1 14.713 27.108 -39.661 1.00 0.00 C ATOM 3 C MET A 1 14.093 26.124 -38.641 1.00 0.00 C ATOM 4 O MET A 1 13.641 26.537 -37.565 1.00 0.00 O ATOM 5 CB MET A 1 16.167 26.689 -40.018 1.00 0.00 C ATOM 6 CG MET A 1 16.823 27.519 -41.128 1.00 0.00 C ATOM 7 SD MET A 1 18.510 26.977 -41.489 1.00 0.00 S ATOM 8 CE MET A 1 18.998 28.097 -42.802 1.00 0.00 C ATOM 0 H1 MET A 1 14.164 29.114 -39.800 1.00 0.00 H new ATOM 0 H2 MET A 1 14.229 28.524 -38.210 1.00 0.00 H new ATOM 0 H3 MET A 1 15.665 28.859 -39.050 1.00 0.00 H new ATOM 0 HA MET A 1 14.108 27.071 -40.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.781 26.760 -39.120 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.164 25.642 -40.321 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.221 27.450 -42.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.837 28.568 -40.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.017 27.869 -43.114 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.324 27.979 -43.650 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.950 29.124 -42.440 1.00 0.00 H new ATOM 20 N GLY A 2 14.077 24.820 -38.995 1.00 0.00 N ATOM 21 CA GLY A 2 13.478 23.778 -38.149 1.00 0.00 C ATOM 22 C GLY A 2 14.330 23.408 -36.920 1.00 0.00 C ATOM 23 O GLY A 2 15.200 22.536 -37.005 1.00 0.00 O ATOM 0 H GLY A 2 14.475 24.469 -39.866 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.498 24.116 -37.812 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.317 22.883 -38.750 1.00 0.00 H new ATOM 27 N GLN A 3 14.076 24.084 -35.782 1.00 0.00 N ATOM 28 CA GLN A 3 14.750 23.799 -34.494 1.00 0.00 C ATOM 29 C GLN A 3 14.132 22.543 -33.821 1.00 0.00 C ATOM 30 O GLN A 3 12.967 22.569 -33.396 1.00 0.00 O ATOM 31 CB GLN A 3 14.633 25.039 -33.567 1.00 0.00 C ATOM 32 CG GLN A 3 15.282 26.321 -34.138 1.00 0.00 C ATOM 33 CD GLN A 3 15.075 27.559 -33.256 1.00 0.00 C ATOM 34 OE1 GLN A 3 15.874 27.850 -32.371 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.001 28.291 -33.482 1.00 0.00 N ATOM 0 H GLN A 3 13.398 24.844 -35.727 1.00 0.00 H new ATOM 0 HA GLN A 3 15.804 23.592 -34.677 1.00 0.00 H new ATOM 0 HB2 GLN A 3 13.579 25.235 -33.372 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.096 24.807 -32.608 1.00 0.00 H new ATOM 0 HG2 GLN A 3 16.351 26.151 -34.266 1.00 0.00 H new ATOM 0 HG3 GLN A 3 14.870 26.517 -35.128 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.352 28.029 -34.224 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.820 29.119 -32.915 1.00 0.00 H new ATOM 44 N GLY A 4 14.917 21.448 -33.745 1.00 0.00 N ATOM 45 CA GLY A 4 14.429 20.160 -33.217 1.00 0.00 C ATOM 46 C GLY A 4 15.503 19.331 -32.507 1.00 0.00 C ATOM 47 O GLY A 4 16.682 19.694 -32.492 1.00 0.00 O ATOM 0 H GLY A 4 15.892 21.432 -34.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.612 20.350 -32.521 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.017 19.575 -34.039 1.00 0.00 H new ATOM 51 N GLN A 5 15.074 18.201 -31.920 1.00 0.00 N ATOM 52 CA GLN A 5 15.944 17.309 -31.120 1.00 0.00 C ATOM 53 C GLN A 5 16.579 16.229 -32.026 1.00 0.00 C ATOM 54 O GLN A 5 15.873 15.553 -32.781 1.00 0.00 O ATOM 55 CB GLN A 5 15.135 16.622 -29.977 1.00 0.00 C ATOM 56 CG GLN A 5 14.531 17.558 -28.894 1.00 0.00 C ATOM 57 CD GLN A 5 13.363 18.437 -29.374 1.00 0.00 C ATOM 58 OE1 GLN A 5 12.211 18.019 -29.367 1.00 0.00 O ATOM 59 NE2 GLN A 5 13.653 19.657 -29.791 1.00 0.00 N ATOM 0 H GLN A 5 14.110 17.875 -31.985 1.00 0.00 H new ATOM 0 HA GLN A 5 16.732 17.917 -30.674 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.322 16.054 -30.429 1.00 0.00 H new ATOM 0 HB3 GLN A 5 15.788 15.904 -29.481 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.188 16.948 -28.058 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.321 18.205 -28.513 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.620 19.981 -29.787 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.910 20.275 -30.117 1.00 0.00 H new ATOM 68 N ASN A 6 17.907 16.067 -31.918 1.00 0.00 N ATOM 69 CA ASN A 6 18.694 15.102 -32.735 1.00 0.00 C ATOM 70 C ASN A 6 19.844 14.480 -31.898 1.00 0.00 C ATOM 71 O ASN A 6 20.262 15.064 -30.890 1.00 0.00 O ATOM 72 CB ASN A 6 19.253 15.828 -33.992 1.00 0.00 C ATOM 73 CG ASN A 6 19.964 14.910 -34.994 1.00 0.00 C ATOM 74 OD1 ASN A 6 19.422 13.727 -35.234 1.00 0.00 O flip ATOM 75 ND2 ASN A 6 20.980 15.277 -35.583 1.00 0.00 N flip ATOM 0 H ASN A 6 18.477 16.600 -31.261 1.00 0.00 H new ATOM 0 HA ASN A 6 18.042 14.288 -33.054 1.00 0.00 H new ATOM 0 HB2 ASN A 6 18.431 16.332 -34.500 1.00 0.00 H new ATOM 0 HB3 ASN A 6 19.950 16.601 -33.669 1.00 0.00 H new ATOM 0 HD21 ASN A 6 21.382 16.193 -35.384 1.00 0.00 H new ATOM 0 HD22 ASN A 6 21.420 14.665 -36.271 1.00 0.00 H new ATOM 82 N VAL A 7 20.345 13.288 -32.342 1.00 0.00 N ATOM 83 CA VAL A 7 21.426 12.499 -31.700 1.00 0.00 C ATOM 84 C VAL A 7 20.964 11.801 -30.382 1.00 0.00 C ATOM 85 O VAL A 7 21.180 10.598 -30.203 1.00 0.00 O ATOM 86 CB VAL A 7 22.756 13.311 -31.462 1.00 0.00 C ATOM 87 CG1 VAL A 7 23.879 12.370 -30.978 1.00 0.00 C ATOM 88 CG2 VAL A 7 23.191 14.083 -32.736 1.00 0.00 C ATOM 0 H VAL A 7 19.990 12.840 -33.187 1.00 0.00 H new ATOM 0 HA VAL A 7 21.660 11.723 -32.428 1.00 0.00 H new ATOM 0 HB VAL A 7 22.562 14.051 -30.686 1.00 0.00 H new ATOM 0 HG11 VAL A 7 24.791 12.945 -30.818 1.00 0.00 H new ATOM 0 HG12 VAL A 7 23.579 11.897 -30.043 1.00 0.00 H new ATOM 0 HG13 VAL A 7 24.061 11.603 -31.731 1.00 0.00 H new ATOM 0 HG21 VAL A 7 24.111 14.631 -32.533 1.00 0.00 H new ATOM 0 HG22 VAL A 7 23.360 13.377 -33.549 1.00 0.00 H new ATOM 0 HG23 VAL A 7 22.407 14.784 -33.022 1.00 0.00 H new ATOM 98 N LEU A 8 20.300 12.555 -29.483 1.00 0.00 N ATOM 99 CA LEU A 8 19.873 12.063 -28.160 1.00 0.00 C ATOM 100 C LEU A 8 18.801 10.951 -28.282 1.00 0.00 C ATOM 101 O LEU A 8 18.965 9.870 -27.721 1.00 0.00 O ATOM 102 CB LEU A 8 19.393 13.280 -27.306 1.00 0.00 C ATOM 103 CG LEU A 8 18.193 14.123 -27.894 1.00 0.00 C ATOM 104 CD1 LEU A 8 16.854 13.738 -27.245 1.00 0.00 C ATOM 105 CD2 LEU A 8 18.446 15.647 -27.814 1.00 0.00 C ATOM 0 H LEU A 8 20.044 13.527 -29.656 1.00 0.00 H new ATOM 0 HA LEU A 8 20.715 11.594 -27.651 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.102 12.913 -26.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.241 13.949 -27.159 1.00 0.00 H new ATOM 0 HG LEU A 8 18.128 13.871 -28.953 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.054 14.340 -27.676 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.652 12.682 -27.426 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.905 13.918 -26.171 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.592 16.180 -28.231 1.00 0.00 H new ATOM 0 HD22 LEU A 8 18.583 15.939 -26.773 1.00 0.00 H new ATOM 0 HD23 LEU A 8 19.342 15.897 -28.382 1.00 0.00 H new ATOM 117 N GLY A 9 17.757 11.197 -29.099 1.00 0.00 N ATOM 118 CA GLY A 9 16.605 10.285 -29.208 1.00 0.00 C ATOM 119 C GLY A 9 16.762 9.192 -30.273 1.00 0.00 C ATOM 120 O GLY A 9 15.799 8.839 -30.962 1.00 0.00 O ATOM 0 H GLY A 9 17.690 12.023 -29.694 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.439 9.812 -28.240 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.714 10.870 -29.434 1.00 0.00 H new ATOM 124 N GLN A 10 17.977 8.632 -30.376 1.00 0.00 N ATOM 125 CA GLN A 10 18.334 7.617 -31.391 1.00 0.00 C ATOM 126 C GLN A 10 19.597 6.833 -30.955 1.00 0.00 C ATOM 127 O GLN A 10 19.632 5.602 -31.025 1.00 0.00 O ATOM 128 CB GLN A 10 18.532 8.283 -32.796 1.00 0.00 C ATOM 129 CG GLN A 10 19.479 9.503 -32.821 1.00 0.00 C ATOM 130 CD GLN A 10 19.624 10.161 -34.196 1.00 0.00 C ATOM 131 OE1 GLN A 10 18.861 11.048 -34.554 1.00 0.00 O ATOM 132 NE2 GLN A 10 20.607 9.746 -34.971 1.00 0.00 N ATOM 0 H GLN A 10 18.749 8.870 -29.754 1.00 0.00 H new ATOM 0 HA GLN A 10 17.512 6.906 -31.475 1.00 0.00 H new ATOM 0 HB2 GLN A 10 18.917 7.531 -33.485 1.00 0.00 H new ATOM 0 HB3 GLN A 10 17.557 8.593 -33.174 1.00 0.00 H new ATOM 0 HG2 GLN A 10 19.114 10.246 -32.112 1.00 0.00 H new ATOM 0 HG3 GLN A 10 20.464 9.190 -32.475 1.00 0.00 H new ATOM 0 HE21 GLN A 10 21.231 9.005 -34.651 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.744 10.166 -35.890 1.00 0.00 H new ATOM 141 N ASP A 11 20.636 7.572 -30.516 1.00 0.00 N ATOM 142 CA ASP A 11 21.901 6.995 -30.004 1.00 0.00 C ATOM 143 C ASP A 11 21.788 6.666 -28.490 1.00 0.00 C ATOM 144 O ASP A 11 22.314 5.652 -28.014 1.00 0.00 O ATOM 145 CB ASP A 11 23.060 7.997 -30.269 1.00 0.00 C ATOM 146 CG ASP A 11 24.450 7.443 -29.909 1.00 0.00 C ATOM 147 OD1 ASP A 11 25.102 6.832 -30.784 1.00 0.00 O ATOM 148 OD2 ASP A 11 24.897 7.612 -28.759 1.00 0.00 O ATOM 0 H ASP A 11 20.623 8.592 -30.506 1.00 0.00 H new ATOM 0 HA ASP A 11 22.107 6.060 -30.525 1.00 0.00 H new ATOM 0 HB2 ASP A 11 23.052 8.278 -31.322 1.00 0.00 H new ATOM 0 HB3 ASP A 11 22.881 8.906 -29.695 1.00 0.00 H new ATOM 153 N LEU A 12 21.091 7.543 -27.751 1.00 0.00 N ATOM 154 CA LEU A 12 20.922 7.434 -26.281 1.00 0.00 C ATOM 155 C LEU A 12 19.399 7.278 -25.936 1.00 0.00 C ATOM 156 O LEU A 12 18.644 6.730 -26.758 1.00 0.00 O ATOM 157 CB LEU A 12 21.600 8.688 -25.616 1.00 0.00 C ATOM 158 CG LEU A 12 21.996 8.563 -24.102 1.00 0.00 C ATOM 159 CD1 LEU A 12 22.965 7.386 -23.860 1.00 0.00 C ATOM 160 CD2 LEU A 12 22.571 9.894 -23.570 1.00 0.00 C ATOM 0 H LEU A 12 20.623 8.355 -28.153 1.00 0.00 H new ATOM 0 HA LEU A 12 21.412 6.546 -25.880 1.00 0.00 H new ATOM 0 HB2 LEU A 12 22.499 8.928 -26.183 1.00 0.00 H new ATOM 0 HB3 LEU A 12 20.922 9.535 -25.720 1.00 0.00 H new ATOM 0 HG LEU A 12 21.088 8.346 -23.540 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.215 7.333 -22.800 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.490 6.454 -24.168 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.875 7.538 -24.441 1.00 0.00 H new ATOM 0 HD21 LEU A 12 22.838 9.781 -22.519 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.459 10.162 -24.143 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.823 10.680 -23.672 1.00 0.00 H new ATOM 172 N GLU A 13 18.964 7.739 -24.728 1.00 0.00 N ATOM 173 CA GLU A 13 17.580 7.585 -24.194 1.00 0.00 C ATOM 174 C GLU A 13 17.218 6.114 -23.890 1.00 0.00 C ATOM 175 O GLU A 13 18.021 5.200 -24.123 1.00 0.00 O ATOM 176 CB GLU A 13 16.501 8.254 -25.104 1.00 0.00 C ATOM 177 CG GLU A 13 16.730 9.752 -25.391 1.00 0.00 C ATOM 178 CD GLU A 13 16.965 10.592 -24.126 1.00 0.00 C ATOM 179 OE1 GLU A 13 15.996 10.842 -23.378 1.00 0.00 O ATOM 180 OE2 GLU A 13 18.126 10.984 -23.859 1.00 0.00 O ATOM 0 H GLU A 13 19.579 8.238 -24.086 1.00 0.00 H new ATOM 0 HA GLU A 13 17.576 8.121 -23.245 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.465 7.719 -26.053 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.525 8.134 -24.633 1.00 0.00 H new ATOM 0 HG2 GLU A 13 17.589 9.859 -26.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.865 10.147 -25.924 1.00 0.00 H new ATOM 187 N VAL A 14 16.004 5.898 -23.336 1.00 0.00 N ATOM 188 CA VAL A 14 15.505 4.547 -22.994 1.00 0.00 C ATOM 189 C VAL A 14 15.409 3.644 -24.249 1.00 0.00 C ATOM 190 O VAL A 14 14.764 3.995 -25.246 1.00 0.00 O ATOM 191 CB VAL A 14 14.122 4.588 -22.232 1.00 0.00 C ATOM 192 CG1 VAL A 14 13.040 5.362 -23.032 1.00 0.00 C ATOM 193 CG2 VAL A 14 13.643 3.152 -21.849 1.00 0.00 C ATOM 0 H VAL A 14 15.348 6.647 -23.115 1.00 0.00 H new ATOM 0 HA VAL A 14 16.237 4.113 -22.313 1.00 0.00 H new ATOM 0 HB VAL A 14 14.280 5.139 -21.305 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.105 5.365 -22.471 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.371 6.388 -23.192 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.883 4.877 -23.995 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.689 3.214 -21.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.523 2.555 -22.753 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.382 2.683 -21.200 1.00 0.00 H new ATOM 203 N CYS A 15 16.097 2.498 -24.195 1.00 0.00 N ATOM 204 CA CYS A 15 16.093 1.504 -25.282 1.00 0.00 C ATOM 205 C CYS A 15 15.978 0.090 -24.685 1.00 0.00 C ATOM 206 O CYS A 15 16.952 -0.458 -24.161 1.00 0.00 O ATOM 207 CB CYS A 15 17.361 1.639 -26.156 1.00 0.00 C ATOM 208 SG CYS A 15 17.337 0.620 -27.651 1.00 0.00 S ATOM 0 H CYS A 15 16.674 2.230 -23.397 1.00 0.00 H new ATOM 0 HA CYS A 15 15.233 1.684 -25.927 1.00 0.00 H new ATOM 0 HB2 CYS A 15 17.483 2.684 -26.443 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.232 1.369 -25.559 1.00 0.00 H new ATOM 0 HG CYS A 15 18.557 0.365 -28.022 1.00 0.00 H new ATOM 214 N CYS A 16 14.746 -0.440 -24.685 1.00 0.00 N ATOM 215 CA CYS A 16 14.432 -1.833 -24.292 1.00 0.00 C ATOM 216 C CYS A 16 13.753 -2.581 -25.460 1.00 0.00 C ATOM 217 O CYS A 16 13.075 -1.952 -26.281 1.00 0.00 O ATOM 218 CB CYS A 16 13.499 -1.840 -23.063 1.00 0.00 C ATOM 219 SG CYS A 16 11.909 -1.010 -23.317 1.00 0.00 S ATOM 0 H CYS A 16 13.921 0.092 -24.962 1.00 0.00 H new ATOM 0 HA CYS A 16 15.364 -2.339 -24.040 1.00 0.00 H new ATOM 0 HB2 CYS A 16 13.312 -2.873 -22.772 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.014 -1.362 -22.230 1.00 0.00 H new ATOM 0 HG CYS A 16 11.206 -1.077 -22.226 1.00 0.00 H new ATOM 225 N CYS A 17 13.963 -3.922 -25.517 1.00 0.00 N ATOM 226 CA CYS A 17 13.343 -4.858 -26.516 1.00 0.00 C ATOM 227 C CYS A 17 13.938 -4.724 -27.949 1.00 0.00 C ATOM 228 O CYS A 17 14.458 -5.704 -28.505 1.00 0.00 O ATOM 229 CB CYS A 17 11.797 -4.726 -26.562 1.00 0.00 C ATOM 230 SG CYS A 17 10.979 -5.838 -27.735 1.00 0.00 S ATOM 0 H CYS A 17 14.579 -4.401 -24.860 1.00 0.00 H new ATOM 0 HA CYS A 17 13.596 -5.856 -26.158 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.400 -4.915 -25.565 1.00 0.00 H new ATOM 0 HB3 CYS A 17 11.541 -3.698 -26.817 1.00 0.00 H new ATOM 0 HG CYS A 17 9.694 -5.646 -27.691 1.00 0.00 H new ATOM 236 N ALA A 18 13.840 -3.511 -28.534 1.00 0.00 N ATOM 237 CA ALA A 18 14.314 -3.190 -29.908 1.00 0.00 C ATOM 238 C ALA A 18 15.817 -3.547 -30.152 1.00 0.00 C ATOM 239 O ALA A 18 16.609 -3.507 -29.206 1.00 0.00 O ATOM 240 CB ALA A 18 14.061 -1.692 -30.182 1.00 0.00 C ATOM 0 H ALA A 18 13.423 -2.710 -28.061 1.00 0.00 H new ATOM 0 HA ALA A 18 13.749 -3.811 -30.603 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.404 -1.443 -31.186 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.995 -1.482 -30.100 1.00 0.00 H new ATOM 0 HB3 ALA A 18 14.606 -1.092 -29.453 1.00 0.00 H new ATOM 246 N PRO A 19 16.225 -3.901 -31.435 1.00 0.00 N ATOM 247 CA PRO A 19 17.629 -4.301 -31.769 1.00 0.00 C ATOM 248 C PRO A 19 18.672 -3.215 -31.384 1.00 0.00 C ATOM 249 O PRO A 19 18.507 -2.042 -31.738 1.00 0.00 O ATOM 250 CB PRO A 19 17.591 -4.540 -33.311 1.00 0.00 C ATOM 251 CG PRO A 19 16.365 -3.814 -33.782 1.00 0.00 C ATOM 252 CD PRO A 19 15.366 -3.945 -32.649 1.00 0.00 C ATOM 0 HA PRO A 19 17.944 -5.181 -31.209 1.00 0.00 H new ATOM 0 HB2 PRO A 19 18.489 -4.154 -33.793 1.00 0.00 H new ATOM 0 HB3 PRO A 19 17.535 -5.603 -33.545 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.584 -2.768 -33.995 1.00 0.00 H new ATOM 0 HG3 PRO A 19 15.977 -4.252 -34.702 1.00 0.00 H new ATOM 0 HD2 PRO A 19 14.638 -3.134 -32.657 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.805 -4.877 -32.712 1.00 0.00 H new ATOM 260 N MET A 20 19.734 -3.651 -30.663 1.00 0.00 N ATOM 261 CA MET A 20 20.754 -2.773 -30.034 1.00 0.00 C ATOM 262 C MET A 20 20.105 -1.905 -28.922 1.00 0.00 C ATOM 263 O MET A 20 19.503 -0.863 -29.200 1.00 0.00 O ATOM 264 CB MET A 20 21.517 -1.898 -31.085 1.00 0.00 C ATOM 265 CG MET A 20 22.819 -1.234 -30.575 1.00 0.00 C ATOM 266 SD MET A 20 22.569 0.045 -29.311 1.00 0.00 S ATOM 267 CE MET A 20 21.714 1.335 -30.226 1.00 0.00 C ATOM 0 H MET A 20 19.910 -4.642 -30.499 1.00 0.00 H new ATOM 0 HA MET A 20 21.506 -3.414 -29.573 1.00 0.00 H new ATOM 0 HB2 MET A 20 21.760 -2.522 -31.945 1.00 0.00 H new ATOM 0 HB3 MET A 20 20.845 -1.116 -31.439 1.00 0.00 H new ATOM 0 HG2 MET A 20 23.470 -2.007 -30.167 1.00 0.00 H new ATOM 0 HG3 MET A 20 23.342 -0.791 -31.423 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.081 2.311 -29.908 1.00 0.00 H new ATOM 0 HE2 MET A 20 21.899 1.208 -31.293 1.00 0.00 H new ATOM 0 HE3 MET A 20 20.643 1.270 -30.033 1.00 0.00 H new ATOM 277 N THR A 21 20.190 -2.376 -27.668 1.00 0.00 N ATOM 278 CA THR A 21 19.684 -1.637 -26.484 1.00 0.00 C ATOM 279 C THR A 21 20.810 -0.843 -25.793 1.00 0.00 C ATOM 280 O THR A 21 21.988 -1.041 -26.106 1.00 0.00 O ATOM 281 CB THR A 21 19.004 -2.611 -25.459 1.00 0.00 C ATOM 282 OG1 THR A 21 19.904 -3.672 -25.092 1.00 0.00 O ATOM 283 CG2 THR A 21 17.705 -3.220 -26.026 1.00 0.00 C ATOM 0 H THR A 21 20.609 -3.277 -27.439 1.00 0.00 H new ATOM 0 HA THR A 21 18.936 -0.929 -26.841 1.00 0.00 H new ATOM 0 HB THR A 21 18.754 -2.022 -24.577 1.00 0.00 H new ATOM 0 HG1 THR A 21 19.463 -4.268 -24.451 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.264 -3.889 -25.287 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.001 -2.422 -26.259 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.932 -3.781 -26.933 1.00 0.00 H new ATOM 291 N GLY A 22 20.429 0.044 -24.843 1.00 0.00 N ATOM 292 CA GLY A 22 21.394 0.902 -24.129 1.00 0.00 C ATOM 293 C GLY A 22 22.534 0.131 -23.446 1.00 0.00 C ATOM 294 O GLY A 22 23.707 0.488 -23.596 1.00 0.00 O ATOM 0 H GLY A 22 19.460 0.181 -24.556 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.823 1.613 -24.835 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.860 1.482 -23.376 1.00 0.00 H new ATOM 298 N TRP A 23 22.156 -0.925 -22.683 1.00 0.00 N ATOM 299 CA TRP A 23 23.094 -1.916 -22.077 1.00 0.00 C ATOM 300 C TRP A 23 23.995 -1.286 -20.961 1.00 0.00 C ATOM 301 O TRP A 23 24.070 -0.058 -20.826 1.00 0.00 O ATOM 302 CB TRP A 23 23.943 -2.616 -23.207 1.00 0.00 C ATOM 303 CG TRP A 23 24.835 -3.760 -22.755 1.00 0.00 C ATOM 304 CD1 TRP A 23 24.437 -4.986 -22.287 1.00 0.00 C ATOM 305 CD2 TRP A 23 26.276 -3.777 -22.728 1.00 0.00 C ATOM 306 NE1 TRP A 23 25.534 -5.745 -21.962 1.00 0.00 N ATOM 307 CE2 TRP A 23 26.671 -5.031 -22.229 1.00 0.00 C ATOM 308 CE3 TRP A 23 27.266 -2.850 -23.078 1.00 0.00 C ATOM 309 CZ2 TRP A 23 28.008 -5.383 -22.067 1.00 0.00 C ATOM 310 CZ3 TRP A 23 28.596 -3.201 -22.922 1.00 0.00 C ATOM 311 CH2 TRP A 23 28.956 -4.461 -22.420 1.00 0.00 C ATOM 0 H TRP A 23 21.178 -1.119 -22.466 1.00 0.00 H new ATOM 0 HA TRP A 23 22.499 -2.679 -21.574 1.00 0.00 H new ATOM 0 HB2 TRP A 23 23.259 -2.993 -23.967 1.00 0.00 H new ATOM 0 HB3 TRP A 23 24.567 -1.861 -23.686 1.00 0.00 H new ATOM 0 HD1 TRP A 23 23.411 -5.308 -22.188 1.00 0.00 H new ATOM 0 HE1 TRP A 23 25.506 -6.691 -21.582 1.00 0.00 H new ATOM 0 HE3 TRP A 23 26.996 -1.878 -23.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 28.288 -6.350 -21.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 29.368 -2.495 -23.191 1.00 0.00 H new ATOM 0 HH2 TRP A 23 30.002 -4.708 -22.310 1.00 0.00 H new ATOM 322 N TYR A 24 24.621 -2.156 -20.135 1.00 0.00 N ATOM 323 CA TYR A 24 25.632 -1.772 -19.118 1.00 0.00 C ATOM 324 C TYR A 24 24.997 -0.948 -17.953 1.00 0.00 C ATOM 325 O TYR A 24 24.552 -1.523 -16.948 1.00 0.00 O ATOM 326 CB TYR A 24 26.836 -1.039 -19.798 1.00 0.00 C ATOM 327 CG TYR A 24 28.076 -0.862 -18.919 1.00 0.00 C ATOM 328 CD1 TYR A 24 28.987 -1.906 -18.761 1.00 0.00 C ATOM 329 CD2 TYR A 24 28.339 0.336 -18.251 1.00 0.00 C ATOM 330 CE1 TYR A 24 30.107 -1.764 -17.973 1.00 0.00 C ATOM 331 CE2 TYR A 24 29.460 0.480 -17.461 1.00 0.00 C ATOM 332 CZ TYR A 24 30.341 -0.573 -17.321 1.00 0.00 C ATOM 333 OH TYR A 24 31.465 -0.433 -16.535 1.00 0.00 O ATOM 0 H TYR A 24 24.437 -3.159 -20.155 1.00 0.00 H new ATOM 0 HA TYR A 24 26.024 -2.679 -18.658 1.00 0.00 H new ATOM 0 HB2 TYR A 24 27.121 -1.595 -20.691 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.502 -0.055 -20.128 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.811 -2.844 -19.267 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.653 1.164 -18.355 1.00 0.00 H new ATOM 0 HE1 TYR A 24 30.801 -2.585 -17.866 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.648 1.414 -16.953 1.00 0.00 H new ATOM 0 HH TYR A 24 31.483 0.467 -16.147 1.00 0.00 H new ATOM 343 N ARG A 25 24.923 0.392 -18.122 1.00 0.00 N ATOM 344 CA ARG A 25 24.328 1.342 -17.133 1.00 0.00 C ATOM 345 C ARG A 25 23.570 2.477 -17.877 1.00 0.00 C ATOM 346 O ARG A 25 23.311 3.547 -17.314 1.00 0.00 O ATOM 347 CB ARG A 25 25.441 1.964 -16.221 1.00 0.00 C ATOM 348 CG ARG A 25 26.155 0.979 -15.264 1.00 0.00 C ATOM 349 CD ARG A 25 25.206 0.357 -14.223 1.00 0.00 C ATOM 350 NE ARG A 25 25.904 -0.619 -13.362 1.00 0.00 N ATOM 351 CZ ARG A 25 25.716 -1.923 -13.373 1.00 0.00 C ATOM 352 NH1 ARG A 25 24.902 -2.484 -14.218 1.00 0.00 N ATOM 353 NH2 ARG A 25 26.378 -2.668 -12.552 1.00 0.00 N ATOM 0 H ARG A 25 25.277 0.858 -18.957 1.00 0.00 H new ATOM 0 HA ARG A 25 23.630 0.789 -16.505 1.00 0.00 H new ATOM 0 HB2 ARG A 25 26.192 2.428 -16.861 1.00 0.00 H new ATOM 0 HB3 ARG A 25 24.994 2.760 -15.626 1.00 0.00 H new ATOM 0 HG2 ARG A 25 26.616 0.183 -15.849 1.00 0.00 H new ATOM 0 HG3 ARG A 25 26.960 1.502 -14.747 1.00 0.00 H new ATOM 0 HD2 ARG A 25 24.776 1.146 -13.605 1.00 0.00 H new ATOM 0 HD3 ARG A 25 24.378 -0.135 -14.733 1.00 0.00 H new ATOM 0 HE ARG A 25 26.590 -0.252 -12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 25 24.392 -1.912 -14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 25 24.773 -3.496 -14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 25 27.041 -2.246 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 25 26.238 -3.678 -12.554 1.00 0.00 H new ATOM 367 N ASN A 26 23.166 2.197 -19.131 1.00 0.00 N ATOM 368 CA ASN A 26 22.695 3.207 -20.088 1.00 0.00 C ATOM 369 C ASN A 26 21.316 2.814 -20.652 1.00 0.00 C ATOM 370 O ASN A 26 21.014 1.633 -20.874 1.00 0.00 O ATOM 371 CB ASN A 26 23.717 3.361 -21.251 1.00 0.00 C ATOM 372 CG ASN A 26 25.128 3.709 -20.760 1.00 0.00 C ATOM 373 OD1 ASN A 26 25.944 2.826 -20.492 1.00 0.00 O ATOM 374 ND2 ASN A 26 25.428 4.988 -20.618 1.00 0.00 N ATOM 0 H ASN A 26 23.159 1.250 -19.509 1.00 0.00 H new ATOM 0 HA ASN A 26 22.602 4.160 -19.566 1.00 0.00 H new ATOM 0 HB2 ASN A 26 23.754 2.433 -21.821 1.00 0.00 H new ATOM 0 HB3 ASN A 26 23.372 4.139 -21.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 26.351 5.261 -20.280 1.00 0.00 H new ATOM 0 HD22 ASN A 26 24.737 5.702 -20.846 1.00 0.00 H new ATOM 381 N GLY A 27 20.485 3.828 -20.843 1.00 0.00 N ATOM 382 CA GLY A 27 19.213 3.697 -21.553 1.00 0.00 C ATOM 383 C GLY A 27 18.039 3.297 -20.655 1.00 0.00 C ATOM 384 O GLY A 27 17.378 4.160 -20.067 1.00 0.00 O ATOM 0 H GLY A 27 20.672 4.773 -20.509 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.980 4.645 -22.038 1.00 0.00 H new ATOM 0 HA3 GLY A 27 19.324 2.953 -22.342 1.00 0.00 H new ATOM 388 N PHE A 28 17.784 1.981 -20.543 1.00 0.00 N ATOM 389 CA PHE A 28 16.581 1.442 -19.863 1.00 0.00 C ATOM 390 C PHE A 28 16.834 1.185 -18.353 1.00 0.00 C ATOM 391 O PHE A 28 17.921 0.762 -17.950 1.00 0.00 O ATOM 392 CB PHE A 28 16.101 0.158 -20.601 1.00 0.00 C ATOM 393 CG PHE A 28 14.952 -0.612 -19.931 1.00 0.00 C ATOM 394 CD1 PHE A 28 13.665 -0.072 -19.871 1.00 0.00 C ATOM 395 CD2 PHE A 28 15.162 -1.871 -19.358 1.00 0.00 C ATOM 396 CE1 PHE A 28 12.629 -0.765 -19.270 1.00 0.00 C ATOM 397 CE2 PHE A 28 14.125 -2.563 -18.756 1.00 0.00 C ATOM 398 CZ PHE A 28 12.859 -2.009 -18.709 1.00 0.00 C ATOM 0 H PHE A 28 18.400 1.260 -20.918 1.00 0.00 H new ATOM 0 HA PHE A 28 15.788 2.189 -19.911 1.00 0.00 H new ATOM 0 HB2 PHE A 28 15.788 0.436 -21.607 1.00 0.00 H new ATOM 0 HB3 PHE A 28 16.951 -0.516 -20.707 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.476 0.901 -20.300 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.148 -2.310 -19.386 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.639 -0.334 -19.239 1.00 0.00 H new ATOM 0 HE2 PHE A 28 14.305 -3.536 -18.323 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.051 -2.546 -18.235 1.00 0.00 H new ATOM 408 N CYS A 29 15.796 1.452 -17.537 1.00 0.00 N ATOM 409 CA CYS A 29 15.830 1.317 -16.057 1.00 0.00 C ATOM 410 C CYS A 29 14.611 0.499 -15.543 1.00 0.00 C ATOM 411 O CYS A 29 13.826 -0.006 -16.343 1.00 0.00 O ATOM 412 CB CYS A 29 15.863 2.722 -15.417 1.00 0.00 C ATOM 413 SG CYS A 29 17.293 3.728 -15.904 1.00 0.00 S ATOM 0 H CYS A 29 14.893 1.773 -17.887 1.00 0.00 H new ATOM 0 HA CYS A 29 16.730 0.773 -15.770 1.00 0.00 H new ATOM 0 HB2 CYS A 29 14.950 3.253 -15.687 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.861 2.615 -14.332 1.00 0.00 H new ATOM 0 HG CYS A 29 17.229 4.886 -15.318 1.00 0.00 H new ATOM 419 N GLN A 30 14.455 0.370 -14.203 1.00 0.00 N ATOM 420 CA GLN A 30 13.351 -0.423 -13.579 1.00 0.00 C ATOM 421 C GLN A 30 11.987 0.332 -13.603 1.00 0.00 C ATOM 422 O GLN A 30 11.488 0.779 -12.565 1.00 0.00 O ATOM 423 CB GLN A 30 13.744 -0.809 -12.119 1.00 0.00 C ATOM 424 CG GLN A 30 14.973 -1.739 -11.993 1.00 0.00 C ATOM 425 CD GLN A 30 15.341 -2.054 -10.538 1.00 0.00 C ATOM 426 OE1 GLN A 30 15.139 -1.246 -9.637 1.00 0.00 O ATOM 427 NE2 GLN A 30 15.882 -3.230 -10.296 1.00 0.00 N ATOM 0 H GLN A 30 15.080 0.805 -13.525 1.00 0.00 H new ATOM 0 HA GLN A 30 13.215 -1.327 -14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.941 0.105 -11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.890 -1.295 -11.646 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.772 -2.671 -12.521 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.827 -1.272 -12.485 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.040 -3.886 -11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.143 -3.485 -9.343 1.00 0.00 H new ATOM 436 N THR A 31 11.397 0.469 -14.806 1.00 0.00 N ATOM 437 CA THR A 31 10.101 1.165 -15.002 1.00 0.00 C ATOM 438 C THR A 31 9.540 0.916 -16.413 1.00 0.00 C ATOM 439 O THR A 31 10.280 0.572 -17.338 1.00 0.00 O ATOM 440 CB THR A 31 10.220 2.718 -14.767 1.00 0.00 C ATOM 441 OG1 THR A 31 8.935 3.355 -14.914 1.00 0.00 O ATOM 442 CG2 THR A 31 11.238 3.389 -15.716 1.00 0.00 C ATOM 0 H THR A 31 11.800 0.104 -15.669 1.00 0.00 H new ATOM 0 HA THR A 31 9.419 0.750 -14.260 1.00 0.00 H new ATOM 0 HB THR A 31 10.583 2.847 -13.747 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.028 4.319 -14.763 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.278 4.458 -15.509 1.00 0.00 H new ATOM 0 HG22 THR A 31 12.224 2.952 -15.560 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.931 3.231 -16.750 1.00 0.00 H new ATOM 450 N ASP A 32 8.214 1.072 -16.555 1.00 0.00 N ATOM 451 CA ASP A 32 7.539 1.126 -17.870 1.00 0.00 C ATOM 452 C ASP A 32 7.044 2.573 -18.136 1.00 0.00 C ATOM 453 O ASP A 32 6.844 3.355 -17.197 1.00 0.00 O ATOM 454 CB ASP A 32 6.375 0.102 -17.922 1.00 0.00 C ATOM 455 CG ASP A 32 5.638 0.073 -19.278 1.00 0.00 C ATOM 456 OD1 ASP A 32 6.186 -0.498 -20.243 1.00 0.00 O ATOM 457 OD2 ASP A 32 4.530 0.640 -19.394 1.00 0.00 O ATOM 0 H ASP A 32 7.576 1.165 -15.764 1.00 0.00 H new ATOM 0 HA ASP A 32 8.244 0.855 -18.656 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.767 -0.893 -17.710 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.660 0.337 -17.134 1.00 0.00 H new ATOM 462 N VAL A 33 6.854 2.912 -19.425 1.00 0.00 N ATOM 463 CA VAL A 33 6.489 4.279 -19.869 1.00 0.00 C ATOM 464 C VAL A 33 5.081 4.724 -19.364 1.00 0.00 C ATOM 465 O VAL A 33 4.888 5.889 -18.996 1.00 0.00 O ATOM 466 CB VAL A 33 6.571 4.376 -21.442 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.556 3.422 -22.127 1.00 0.00 C ATOM 468 CG2 VAL A 33 6.410 5.835 -21.946 1.00 0.00 C ATOM 0 H VAL A 33 6.948 2.247 -20.193 1.00 0.00 H new ATOM 0 HA VAL A 33 7.209 4.965 -19.423 1.00 0.00 H new ATOM 0 HB VAL A 33 7.571 4.050 -21.727 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.641 3.516 -23.210 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.769 2.394 -21.834 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.544 3.685 -21.819 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.473 5.853 -23.034 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.441 6.224 -21.632 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.203 6.454 -21.526 1.00 0.00 H new ATOM 478 N GLN A 34 4.127 3.775 -19.300 1.00 0.00 N ATOM 479 CA GLN A 34 2.697 4.065 -19.015 1.00 0.00 C ATOM 480 C GLN A 34 2.450 4.448 -17.526 1.00 0.00 C ATOM 481 O GLN A 34 1.467 5.123 -17.196 1.00 0.00 O ATOM 482 CB GLN A 34 1.837 2.833 -19.416 1.00 0.00 C ATOM 483 CG GLN A 34 0.319 3.077 -19.375 1.00 0.00 C ATOM 484 CD GLN A 34 -0.505 1.848 -19.770 1.00 0.00 C ATOM 485 OE1 GLN A 34 -0.891 1.042 -18.927 1.00 0.00 O ATOM 486 NE2 GLN A 34 -0.755 1.676 -21.055 1.00 0.00 N ATOM 0 H GLN A 34 4.320 2.784 -19.444 1.00 0.00 H new ATOM 0 HA GLN A 34 2.404 4.932 -19.607 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.116 2.523 -20.423 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.078 2.005 -18.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.035 3.388 -18.369 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.073 3.901 -20.045 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.423 2.360 -21.735 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.280 0.859 -21.368 1.00 0.00 H new ATOM 495 N ASP A 35 3.381 4.055 -16.651 1.00 0.00 N ATOM 496 CA ASP A 35 3.294 4.285 -15.183 1.00 0.00 C ATOM 497 C ASP A 35 3.629 5.749 -14.748 1.00 0.00 C ATOM 498 O ASP A 35 3.927 5.992 -13.567 1.00 0.00 O ATOM 499 CB ASP A 35 4.235 3.276 -14.474 1.00 0.00 C ATOM 500 CG ASP A 35 3.864 1.808 -14.753 1.00 0.00 C ATOM 501 OD1 ASP A 35 4.092 1.343 -15.887 1.00 0.00 O ATOM 502 OD2 ASP A 35 3.341 1.118 -13.849 1.00 0.00 O ATOM 0 H ASP A 35 4.229 3.563 -16.932 1.00 0.00 H new ATOM 0 HA ASP A 35 2.257 4.130 -14.887 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.260 3.454 -14.799 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.206 3.454 -13.399 1.00 0.00 H new ATOM 507 N ARG A 36 3.561 6.714 -15.706 1.00 0.00 N ATOM 508 CA ARG A 36 3.745 8.167 -15.451 1.00 0.00 C ATOM 509 C ARG A 36 5.173 8.480 -14.886 1.00 0.00 C ATOM 510 O ARG A 36 5.400 9.515 -14.260 1.00 0.00 O ATOM 511 CB ARG A 36 2.568 8.684 -14.531 1.00 0.00 C ATOM 512 CG ARG A 36 2.048 10.124 -14.817 1.00 0.00 C ATOM 513 CD ARG A 36 2.866 11.239 -14.128 1.00 0.00 C ATOM 514 NE ARG A 36 2.921 11.057 -12.659 1.00 0.00 N ATOM 515 CZ ARG A 36 3.604 11.804 -11.812 1.00 0.00 C ATOM 516 NH1 ARG A 36 4.287 12.835 -12.214 1.00 0.00 N ATOM 517 NH2 ARG A 36 3.587 11.503 -10.553 1.00 0.00 N ATOM 0 H ARG A 36 3.375 6.501 -16.686 1.00 0.00 H new ATOM 0 HA ARG A 36 3.693 8.716 -16.391 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.731 7.993 -14.627 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.900 8.640 -13.494 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.056 10.295 -15.894 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.010 10.195 -14.491 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.879 11.248 -14.531 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.423 12.208 -14.357 1.00 0.00 H new ATOM 0 HE ARG A 36 2.382 10.285 -12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.303 13.082 -13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 36 4.807 13.397 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.051 10.698 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.110 12.071 -9.886 1.00 0.00 H new ATOM 531 N GLY A 37 6.141 7.563 -15.146 1.00 0.00 N ATOM 532 CA GLY A 37 7.536 7.710 -14.662 1.00 0.00 C ATOM 533 C GLY A 37 7.729 7.470 -13.150 1.00 0.00 C ATOM 534 O GLY A 37 8.837 7.651 -12.622 1.00 0.00 O ATOM 0 H GLY A 37 5.979 6.714 -15.688 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.170 7.013 -15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.885 8.714 -14.903 1.00 0.00 H new ATOM 538 N SER A 38 6.659 7.038 -12.468 1.00 0.00 N ATOM 539 CA SER A 38 6.663 6.775 -11.004 1.00 0.00 C ATOM 540 C SER A 38 6.985 5.295 -10.678 1.00 0.00 C ATOM 541 O SER A 38 6.710 4.825 -9.565 1.00 0.00 O ATOM 542 CB SER A 38 5.290 7.187 -10.404 1.00 0.00 C ATOM 543 OG SER A 38 5.027 8.573 -10.607 1.00 0.00 O ATOM 0 H SER A 38 5.757 6.857 -12.910 1.00 0.00 H new ATOM 0 HA SER A 38 7.454 7.373 -10.552 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.499 6.594 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.277 6.965 -9.337 1.00 0.00 H new ATOM 0 HG SER A 38 4.156 8.801 -10.220 1.00 0.00 H new ATOM 549 N HIS A 39 7.617 4.591 -11.661 1.00 0.00 N ATOM 550 CA HIS A 39 7.989 3.152 -11.586 1.00 0.00 C ATOM 551 C HIS A 39 6.746 2.223 -11.572 1.00 0.00 C ATOM 552 O HIS A 39 5.603 2.689 -11.510 1.00 0.00 O ATOM 553 CB HIS A 39 8.939 2.860 -10.384 1.00 0.00 C ATOM 554 CG HIS A 39 10.208 3.671 -10.405 1.00 0.00 C ATOM 555 ND1 HIS A 39 10.296 4.921 -9.849 1.00 0.00 N ATOM 556 CD2 HIS A 39 11.435 3.413 -10.918 1.00 0.00 C ATOM 557 CE1 HIS A 39 11.509 5.396 -10.013 1.00 0.00 C ATOM 558 NE2 HIS A 39 12.223 4.503 -10.660 1.00 0.00 N ATOM 0 H HIS A 39 7.887 5.021 -12.546 1.00 0.00 H new ATOM 0 HA HIS A 39 8.541 2.926 -12.498 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.406 3.059 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.195 1.801 -10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.736 2.514 -11.435 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.861 6.359 -9.673 1.00 0.00 H new ATOM 0 HE2 HIS A 39 13.202 4.605 -10.926 1.00 0.00 H new ATOM 567 N THR A 40 6.981 0.901 -11.622 1.00 0.00 N ATOM 568 CA THR A 40 5.900 -0.106 -11.720 1.00 0.00 C ATOM 569 C THR A 40 5.511 -0.616 -10.313 1.00 0.00 C ATOM 570 O THR A 40 6.209 -1.438 -9.709 1.00 0.00 O ATOM 571 CB THR A 40 6.354 -1.305 -12.622 1.00 0.00 C ATOM 572 OG1 THR A 40 7.564 -1.877 -12.101 1.00 0.00 O ATOM 573 CG2 THR A 40 6.611 -0.880 -14.074 1.00 0.00 C ATOM 0 H THR A 40 7.918 0.498 -11.596 1.00 0.00 H new ATOM 0 HA THR A 40 5.028 0.364 -12.175 1.00 0.00 H new ATOM 0 HB THR A 40 5.541 -2.031 -12.613 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.452 -2.066 -11.146 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.923 -1.747 -14.657 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.697 -0.467 -14.499 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.396 -0.125 -14.098 1.00 0.00 H new ATOM 581 N VAL A 41 4.399 -0.081 -9.773 1.00 0.00 N ATOM 582 CA VAL A 41 3.862 -0.469 -8.445 1.00 0.00 C ATOM 583 C VAL A 41 2.329 -0.640 -8.525 1.00 0.00 C ATOM 584 O VAL A 41 1.597 0.342 -8.554 1.00 0.00 O ATOM 585 CB VAL A 41 4.179 0.594 -7.314 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.706 0.071 -5.930 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.673 1.008 -7.278 1.00 0.00 C ATOM 0 H VAL A 41 3.843 0.634 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 41 4.353 -1.405 -8.180 1.00 0.00 H new ATOM 0 HB VAL A 41 3.620 1.497 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.931 0.813 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.631 -0.108 -5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.223 -0.860 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.829 1.738 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.290 0.129 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.952 1.449 -8.235 1.00 0.00 H new ATOM 597 N CYS A 42 1.848 -1.885 -8.575 1.00 0.00 N ATOM 598 CA CYS A 42 0.399 -2.190 -8.530 1.00 0.00 C ATOM 599 C CYS A 42 0.076 -2.880 -7.202 1.00 0.00 C ATOM 600 O CYS A 42 0.389 -4.048 -6.996 1.00 0.00 O ATOM 601 CB CYS A 42 -0.006 -3.070 -9.731 1.00 0.00 C ATOM 602 SG CYS A 42 0.305 -2.294 -11.333 1.00 0.00 S ATOM 0 H CYS A 42 2.441 -2.712 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.174 -1.265 -8.597 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.540 -4.012 -9.681 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.066 -3.311 -9.653 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.061 -3.101 -12.284 1.00 0.00 H new ATOM 608 N ALA A 43 -0.590 -2.145 -6.315 1.00 0.00 N ATOM 609 CA ALA A 43 -0.848 -2.567 -4.929 1.00 0.00 C ATOM 610 C ALA A 43 -2.280 -2.185 -4.562 1.00 0.00 C ATOM 611 O ALA A 43 -2.822 -1.216 -5.107 1.00 0.00 O ATOM 612 CB ALA A 43 0.177 -1.920 -3.975 1.00 0.00 C ATOM 0 H ALA A 43 -0.973 -1.226 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.737 -3.647 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.025 -2.240 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.183 -2.227 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.098 -0.835 -4.038 1.00 0.00 H new ATOM 618 N GLU A 44 -2.914 -2.943 -3.670 1.00 0.00 N ATOM 619 CA GLU A 44 -4.326 -2.716 -3.338 1.00 0.00 C ATOM 620 C GLU A 44 -4.494 -2.323 -1.868 1.00 0.00 C ATOM 621 O GLU A 44 -3.947 -2.974 -0.974 1.00 0.00 O ATOM 622 CB GLU A 44 -5.168 -3.971 -3.653 1.00 0.00 C ATOM 623 CG GLU A 44 -6.650 -3.661 -3.817 1.00 0.00 C ATOM 624 CD GLU A 44 -7.513 -4.920 -3.966 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.426 -5.581 -5.015 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.280 -5.248 -3.042 1.00 0.00 O ATOM 0 H GLU A 44 -2.480 -3.715 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.682 -1.890 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.795 -4.433 -4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.040 -4.699 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.994 -3.092 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.788 -3.027 -4.693 1.00 0.00 H new ATOM 633 N MET A 45 -5.242 -1.230 -1.634 1.00 0.00 N ATOM 634 CA MET A 45 -5.627 -0.794 -0.274 1.00 0.00 C ATOM 635 C MET A 45 -7.157 -0.848 -0.077 1.00 0.00 C ATOM 636 O MET A 45 -7.926 -0.749 -1.035 1.00 0.00 O ATOM 637 CB MET A 45 -5.069 0.622 0.051 1.00 0.00 C ATOM 638 CG MET A 45 -3.536 0.750 -0.154 1.00 0.00 C ATOM 639 SD MET A 45 -2.770 2.071 0.814 1.00 0.00 S ATOM 640 CE MET A 45 -3.460 3.547 0.080 1.00 0.00 C ATOM 0 H MET A 45 -5.596 -0.625 -2.375 1.00 0.00 H new ATOM 0 HA MET A 45 -5.177 -1.494 0.430 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.573 1.355 -0.579 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.310 0.870 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.065 -0.198 0.107 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.335 0.925 -1.211 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.732 4.356 0.137 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.707 3.353 -0.964 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.363 3.833 0.619 1.00 0.00 H new ATOM 650 N THR A 46 -7.574 -1.005 1.194 1.00 0.00 N ATOM 651 CA THR A 46 -9.004 -1.093 1.589 1.00 0.00 C ATOM 652 C THR A 46 -9.545 0.294 1.964 1.00 0.00 C ATOM 653 O THR A 46 -8.772 1.171 2.374 1.00 0.00 O ATOM 654 CB THR A 46 -9.231 -2.083 2.790 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.626 -2.141 3.136 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.428 -1.700 4.044 1.00 0.00 C ATOM 0 H THR A 46 -6.931 -1.075 1.983 1.00 0.00 H new ATOM 0 HA THR A 46 -9.545 -1.481 0.726 1.00 0.00 H new ATOM 0 HB THR A 46 -8.879 -3.057 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.752 -2.762 3.883 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.627 -2.420 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.364 -1.703 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.724 -0.705 4.375 1.00 0.00 H new ATOM 664 N GLU A 47 -10.880 0.469 1.861 1.00 0.00 N ATOM 665 CA GLU A 47 -11.550 1.773 2.099 1.00 0.00 C ATOM 666 C GLU A 47 -11.199 2.369 3.479 1.00 0.00 C ATOM 667 O GLU A 47 -11.067 3.578 3.605 1.00 0.00 O ATOM 668 CB GLU A 47 -13.090 1.634 1.964 1.00 0.00 C ATOM 669 CG GLU A 47 -13.862 2.972 2.071 1.00 0.00 C ATOM 670 CD GLU A 47 -15.393 2.805 2.114 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.940 2.516 3.204 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.058 2.958 1.066 1.00 0.00 O ATOM 0 H GLU A 47 -11.523 -0.282 1.612 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.180 2.458 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.319 1.172 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.451 0.957 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.538 3.497 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.598 3.602 1.221 1.00 0.00 H new ATOM 679 N GLU A 48 -10.984 1.477 4.468 1.00 0.00 N ATOM 680 CA GLU A 48 -10.705 1.836 5.883 1.00 0.00 C ATOM 681 C GLU A 48 -9.592 2.912 6.011 1.00 0.00 C ATOM 682 O GLU A 48 -9.817 3.968 6.610 1.00 0.00 O ATOM 683 CB GLU A 48 -10.316 0.549 6.666 1.00 0.00 C ATOM 684 CG GLU A 48 -11.361 -0.580 6.566 1.00 0.00 C ATOM 685 CD GLU A 48 -10.951 -1.858 7.314 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.220 -1.964 8.530 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.335 -2.754 6.697 1.00 0.00 O ATOM 0 H GLU A 48 -10.999 0.470 4.308 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.609 2.272 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.361 0.182 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.169 0.804 7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.310 -0.223 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.527 -0.820 5.516 1.00 0.00 H new ATOM 694 N PHE A 49 -8.417 2.660 5.387 1.00 0.00 N ATOM 695 CA PHE A 49 -7.292 3.630 5.395 1.00 0.00 C ATOM 696 C PHE A 49 -7.587 4.875 4.517 1.00 0.00 C ATOM 697 O PHE A 49 -7.243 6.003 4.893 1.00 0.00 O ATOM 698 CB PHE A 49 -5.953 2.981 4.961 1.00 0.00 C ATOM 699 CG PHE A 49 -4.813 4.003 4.874 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.387 4.689 6.018 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.218 4.332 3.651 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.400 5.655 5.941 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.237 5.306 3.578 1.00 0.00 C ATOM 704 CZ PHE A 49 -2.828 5.960 4.723 1.00 0.00 C ATOM 0 H PHE A 49 -8.222 1.800 4.875 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.190 3.957 6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.684 2.199 5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.082 2.500 3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.835 4.461 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.528 3.819 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.077 6.170 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.792 5.554 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.057 6.714 4.665 1.00 0.00 H new ATOM 714 N LEU A 50 -8.200 4.660 3.346 1.00 0.00 N ATOM 715 CA LEU A 50 -8.522 5.753 2.393 1.00 0.00 C ATOM 716 C LEU A 50 -9.541 6.758 3.006 1.00 0.00 C ATOM 717 O LEU A 50 -9.581 7.929 2.618 1.00 0.00 O ATOM 718 CB LEU A 50 -8.989 5.170 1.020 1.00 0.00 C ATOM 719 CG LEU A 50 -7.863 4.579 0.107 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.207 3.334 0.717 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.401 4.296 -1.310 1.00 0.00 C ATOM 0 H LEU A 50 -8.488 3.736 3.026 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.614 6.324 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.723 4.387 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.500 5.959 0.468 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.080 5.334 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.433 2.964 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.760 3.592 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.961 2.560 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.602 3.886 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.219 3.578 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.763 5.224 -1.754 1.00 0.00 H new ATOM 733 N LEU A 51 -10.339 6.279 3.987 1.00 0.00 N ATOM 734 CA LEU A 51 -11.226 7.124 4.816 1.00 0.00 C ATOM 735 C LEU A 51 -10.401 7.991 5.805 1.00 0.00 C ATOM 736 O LEU A 51 -10.656 9.187 5.931 1.00 0.00 O ATOM 737 CB LEU A 51 -12.247 6.244 5.591 1.00 0.00 C ATOM 738 CG LEU A 51 -13.301 5.487 4.732 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.211 4.598 5.611 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.122 6.465 3.865 1.00 0.00 C ATOM 0 H LEU A 51 -10.385 5.289 4.227 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.774 7.792 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.691 5.510 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.777 6.880 6.300 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.763 4.825 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.936 4.083 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.602 3.863 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.737 5.220 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.850 5.906 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.643 7.173 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.454 7.007 3.196 1.00 0.00 H new ATOM 752 N PHE A 52 -9.404 7.371 6.496 1.00 0.00 N ATOM 753 CA PHE A 52 -8.455 8.102 7.398 1.00 0.00 C ATOM 754 C PHE A 52 -7.683 9.205 6.627 1.00 0.00 C ATOM 755 O PHE A 52 -7.324 10.247 7.191 1.00 0.00 O ATOM 756 CB PHE A 52 -7.436 7.122 8.056 1.00 0.00 C ATOM 757 CG PHE A 52 -8.054 6.009 8.907 1.00 0.00 C ATOM 758 CD1 PHE A 52 -9.034 6.294 9.856 1.00 0.00 C ATOM 759 CD2 PHE A 52 -7.659 4.678 8.756 1.00 0.00 C ATOM 760 CE1 PHE A 52 -9.597 5.289 10.620 1.00 0.00 C ATOM 761 CE2 PHE A 52 -8.227 3.674 9.518 1.00 0.00 C ATOM 762 CZ PHE A 52 -9.192 3.981 10.451 1.00 0.00 C ATOM 0 H PHE A 52 -9.233 6.367 6.448 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.054 8.570 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.837 6.665 7.269 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.754 7.699 8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.358 7.315 9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.897 4.429 8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.355 5.528 11.351 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.914 2.649 9.382 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.632 3.198 11.051 1.00 0.00 H new ATOM 772 N SER A 53 -7.436 8.942 5.330 1.00 0.00 N ATOM 773 CA SER A 53 -6.839 9.924 4.403 1.00 0.00 C ATOM 774 C SER A 53 -7.844 11.053 4.069 1.00 0.00 C ATOM 775 O SER A 53 -7.478 12.225 4.052 1.00 0.00 O ATOM 776 CB SER A 53 -6.366 9.223 3.108 1.00 0.00 C ATOM 777 OG SER A 53 -5.375 8.235 3.378 1.00 0.00 O ATOM 0 H SER A 53 -7.644 8.043 4.895 1.00 0.00 H new ATOM 0 HA SER A 53 -5.976 10.373 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.219 8.758 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.963 9.965 2.419 1.00 0.00 H new ATOM 0 HG SER A 53 -5.783 7.485 3.859 1.00 0.00 H new ATOM 783 N ARG A 54 -9.119 10.682 3.838 1.00 0.00 N ATOM 784 CA ARG A 54 -10.202 11.638 3.482 1.00 0.00 C ATOM 785 C ARG A 54 -10.456 12.693 4.599 1.00 0.00 C ATOM 786 O ARG A 54 -10.674 13.875 4.303 1.00 0.00 O ATOM 787 CB ARG A 54 -11.508 10.858 3.176 1.00 0.00 C ATOM 788 CG ARG A 54 -12.696 11.752 2.763 1.00 0.00 C ATOM 789 CD ARG A 54 -14.008 10.986 2.544 1.00 0.00 C ATOM 790 NE ARG A 54 -15.106 11.914 2.205 1.00 0.00 N ATOM 791 CZ ARG A 54 -16.322 11.884 2.708 1.00 0.00 C ATOM 792 NH1 ARG A 54 -16.673 10.999 3.589 1.00 0.00 N ATOM 793 NH2 ARG A 54 -17.177 12.778 2.336 1.00 0.00 N ATOM 0 H ARG A 54 -9.433 9.713 3.891 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.879 12.184 2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.312 10.142 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.790 10.283 4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.853 12.508 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.438 12.280 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.880 10.258 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.263 10.427 3.444 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.904 12.643 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.000 10.303 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.622 10.999 3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.906 13.494 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.123 12.768 2.717 1.00 0.00 H new ATOM 807 N ASP A 55 -10.400 12.261 5.875 1.00 0.00 N ATOM 808 CA ASP A 55 -10.638 13.152 7.043 1.00 0.00 C ATOM 809 C ASP A 55 -9.575 14.281 7.188 1.00 0.00 C ATOM 810 O ASP A 55 -9.803 15.257 7.910 1.00 0.00 O ATOM 811 CB ASP A 55 -10.707 12.316 8.344 1.00 0.00 C ATOM 812 CG ASP A 55 -11.954 11.420 8.410 1.00 0.00 C ATOM 813 OD1 ASP A 55 -13.071 11.964 8.539 1.00 0.00 O ATOM 814 OD2 ASP A 55 -11.834 10.182 8.326 1.00 0.00 O ATOM 0 H ASP A 55 -10.191 11.296 6.130 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.593 13.647 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.814 11.695 8.419 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.702 12.987 9.203 1.00 0.00 H new ATOM 819 N ARG A 56 -8.428 14.142 6.500 1.00 0.00 N ATOM 820 CA ARG A 56 -7.336 15.150 6.529 1.00 0.00 C ATOM 821 C ARG A 56 -7.709 16.451 5.775 1.00 0.00 C ATOM 822 O ARG A 56 -7.094 17.500 6.011 1.00 0.00 O ATOM 823 CB ARG A 56 -6.050 14.557 5.912 1.00 0.00 C ATOM 824 CG ARG A 56 -5.580 13.226 6.546 1.00 0.00 C ATOM 825 CD ARG A 56 -4.353 12.657 5.814 1.00 0.00 C ATOM 826 NE ARG A 56 -4.002 11.287 6.237 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.204 10.482 5.564 1.00 0.00 C ATOM 828 NH1 ARG A 56 -2.642 10.874 4.463 1.00 0.00 N ATOM 829 NH2 ARG A 56 -2.950 9.293 6.000 1.00 0.00 N ATOM 0 H ARG A 56 -8.226 13.335 5.909 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.171 15.407 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.215 14.397 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.248 15.290 6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.336 13.388 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.393 12.500 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.545 12.660 4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.500 13.313 5.987 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.404 10.940 7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.815 11.815 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.026 10.242 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.368 8.969 6.872 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.331 8.678 5.472 1.00 0.00 H new ATOM 843 N GLY A 57 -8.701 16.373 4.856 1.00 0.00 N ATOM 844 CA GLY A 57 -9.113 17.546 4.058 1.00 0.00 C ATOM 845 C GLY A 57 -10.436 17.350 3.303 1.00 0.00 C ATOM 846 O GLY A 57 -10.567 17.800 2.162 1.00 0.00 O ATOM 0 H GLY A 57 -9.223 15.521 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.207 18.408 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.327 17.779 3.340 1.00 0.00 H new ATOM 850 N ASN A 58 -11.396 16.648 3.949 1.00 0.00 N ATOM 851 CA ASN A 58 -12.825 16.494 3.504 1.00 0.00 C ATOM 852 C ASN A 58 -13.035 15.454 2.367 1.00 0.00 C ATOM 853 O ASN A 58 -14.028 14.711 2.387 1.00 0.00 O ATOM 854 CB ASN A 58 -13.495 17.842 3.110 1.00 0.00 C ATOM 855 CG ASN A 58 -13.463 18.886 4.228 1.00 0.00 C ATOM 856 OD1 ASN A 58 -14.329 18.912 5.094 1.00 0.00 O ATOM 857 ND2 ASN A 58 -12.485 19.771 4.206 1.00 0.00 N ATOM 0 H ASN A 58 -11.205 16.154 4.821 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.321 16.106 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.992 18.246 2.231 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.531 17.655 2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.438 20.497 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.775 19.729 3.475 1.00 0.00 H new ATOM 864 N ASP A 59 -12.128 15.417 1.371 1.00 0.00 N ATOM 865 CA ASP A 59 -12.250 14.517 0.200 1.00 0.00 C ATOM 866 C ASP A 59 -10.885 13.868 -0.185 1.00 0.00 C ATOM 867 O ASP A 59 -10.634 12.719 0.190 1.00 0.00 O ATOM 868 CB ASP A 59 -12.926 15.278 -0.993 1.00 0.00 C ATOM 869 CG ASP A 59 -12.289 16.647 -1.308 1.00 0.00 C ATOM 870 OD1 ASP A 59 -12.522 17.612 -0.555 1.00 0.00 O ATOM 871 OD2 ASP A 59 -11.511 16.753 -2.284 1.00 0.00 O ATOM 0 H ASP A 59 -11.295 16.005 1.352 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.899 13.683 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.876 14.652 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.982 15.424 -0.765 1.00 0.00 H new ATOM 876 N LEU A 60 -9.999 14.626 -0.886 1.00 0.00 N ATOM 877 CA LEU A 60 -8.697 14.163 -1.476 1.00 0.00 C ATOM 878 C LEU A 60 -8.673 12.702 -2.059 1.00 0.00 C ATOM 879 O LEU A 60 -7.602 12.094 -2.184 1.00 0.00 O ATOM 880 CB LEU A 60 -7.484 14.412 -0.512 1.00 0.00 C ATOM 881 CG LEU A 60 -7.524 13.735 0.907 1.00 0.00 C ATOM 882 CD1 LEU A 60 -6.111 13.370 1.402 1.00 0.00 C ATOM 883 CD2 LEU A 60 -8.232 14.634 1.949 1.00 0.00 C ATOM 0 H LEU A 60 -10.172 15.615 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.589 14.800 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.579 14.075 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.387 15.488 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.099 12.816 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.179 12.905 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.649 12.674 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.504 14.273 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.240 14.132 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.698 15.581 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.257 14.823 1.630 1.00 0.00 H new ATOM 895 N MET A 61 -9.844 12.164 -2.454 1.00 0.00 N ATOM 896 CA MET A 61 -9.951 10.881 -3.191 1.00 0.00 C ATOM 897 C MET A 61 -9.977 11.157 -4.712 1.00 0.00 C ATOM 898 O MET A 61 -9.357 10.445 -5.510 1.00 0.00 O ATOM 899 CB MET A 61 -11.235 10.116 -2.760 1.00 0.00 C ATOM 900 CG MET A 61 -11.238 9.607 -1.310 1.00 0.00 C ATOM 901 SD MET A 61 -12.750 8.691 -0.910 1.00 0.00 S ATOM 902 CE MET A 61 -12.347 7.974 0.685 1.00 0.00 C ATOM 0 H MET A 61 -10.746 12.605 -2.273 1.00 0.00 H new ATOM 0 HA MET A 61 -9.086 10.261 -2.955 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.094 10.773 -2.899 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.373 9.265 -3.427 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.373 8.964 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.137 10.452 -0.630 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.278 6.890 0.590 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.392 8.369 1.031 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.126 8.226 1.405 1.00 0.00 H new ATOM 912 N THR A 62 -10.729 12.206 -5.086 1.00 0.00 N ATOM 913 CA THR A 62 -10.832 12.714 -6.472 1.00 0.00 C ATOM 914 C THR A 62 -11.010 14.256 -6.433 1.00 0.00 C ATOM 915 O THR A 62 -11.796 14.751 -5.614 1.00 0.00 O ATOM 916 CB THR A 62 -12.043 12.050 -7.246 1.00 0.00 C ATOM 917 OG1 THR A 62 -11.875 10.622 -7.293 1.00 0.00 O ATOM 918 CG2 THR A 62 -12.197 12.588 -8.687 1.00 0.00 C ATOM 0 H THR A 62 -11.294 12.737 -4.424 1.00 0.00 H new ATOM 0 HA THR A 62 -9.918 12.454 -7.006 1.00 0.00 H new ATOM 0 HB THR A 62 -12.947 12.310 -6.696 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.629 10.219 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.042 12.098 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.370 13.664 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.287 12.382 -9.251 1.00 0.00 H new ATOM 926 N PRO A 63 -10.253 15.050 -7.262 1.00 0.00 N ATOM 927 CA PRO A 63 -10.527 16.503 -7.434 1.00 0.00 C ATOM 928 C PRO A 63 -11.873 16.748 -8.162 1.00 0.00 C ATOM 929 O PRO A 63 -12.147 16.093 -9.168 1.00 0.00 O ATOM 930 CB PRO A 63 -9.325 17.013 -8.291 1.00 0.00 C ATOM 931 CG PRO A 63 -8.295 15.921 -8.210 1.00 0.00 C ATOM 932 CD PRO A 63 -9.070 14.630 -8.057 1.00 0.00 C ATOM 0 HA PRO A 63 -10.617 17.022 -6.480 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.626 17.195 -9.323 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.934 17.953 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.676 15.901 -9.107 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -7.626 16.077 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.358 14.214 -9.022 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.487 13.866 -7.542 1.00 0.00 H new ATOM 940 N ARG A 64 -12.707 17.677 -7.620 1.00 0.00 N ATOM 941 CA ARG A 64 -14.013 18.111 -8.218 1.00 0.00 C ATOM 942 C ARG A 64 -15.105 16.991 -8.160 1.00 0.00 C ATOM 943 O ARG A 64 -14.778 15.798 -8.125 1.00 0.00 O ATOM 944 CB ARG A 64 -13.816 18.610 -9.684 1.00 0.00 C ATOM 945 CG ARG A 64 -12.749 19.717 -9.841 1.00 0.00 C ATOM 946 CD ARG A 64 -12.469 20.076 -11.308 1.00 0.00 C ATOM 947 NE ARG A 64 -13.622 20.730 -11.957 1.00 0.00 N ATOM 948 CZ ARG A 64 -13.615 21.936 -12.507 1.00 0.00 C ATOM 949 NH1 ARG A 64 -12.547 22.680 -12.501 1.00 0.00 N ATOM 950 NH2 ARG A 64 -14.695 22.397 -13.048 1.00 0.00 N ATOM 0 H ARG A 64 -12.494 18.155 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.375 18.940 -7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.538 17.762 -10.310 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.769 18.984 -10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.079 20.610 -9.311 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.822 19.390 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.604 20.737 -11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.211 19.171 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.499 20.210 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.690 22.338 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.567 23.605 -12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.545 21.833 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.697 23.324 -13.473 1.00 0.00 H new ATOM 964 N PRO A 65 -16.444 17.347 -8.145 1.00 0.00 N ATOM 965 CA PRO A 65 -17.536 16.335 -8.223 1.00 0.00 C ATOM 966 C PRO A 65 -17.689 15.740 -9.651 1.00 0.00 C ATOM 967 O PRO A 65 -18.356 14.715 -9.846 1.00 0.00 O ATOM 968 CB PRO A 65 -18.789 17.135 -7.788 1.00 0.00 C ATOM 969 CG PRO A 65 -18.495 18.549 -8.202 1.00 0.00 C ATOM 970 CD PRO A 65 -16.995 18.728 -8.036 1.00 0.00 C ATOM 0 HA PRO A 65 -17.348 15.464 -7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -19.689 16.758 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.953 17.062 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.797 18.725 -9.234 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -19.044 19.259 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.585 19.382 -8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.752 19.178 -7.073 1.00 0.00 H new ATOM 978 N GLU A 66 -17.054 16.403 -10.635 1.00 0.00 N ATOM 979 CA GLU A 66 -16.981 15.941 -12.034 1.00 0.00 C ATOM 980 C GLU A 66 -15.522 16.098 -12.520 1.00 0.00 C ATOM 981 O GLU A 66 -14.989 17.214 -12.580 1.00 0.00 O ATOM 982 CB GLU A 66 -17.983 16.749 -12.903 1.00 0.00 C ATOM 983 CG GLU A 66 -18.267 16.193 -14.326 1.00 0.00 C ATOM 984 CD GLU A 66 -17.151 16.451 -15.367 1.00 0.00 C ATOM 985 OE1 GLU A 66 -16.885 17.628 -15.671 1.00 0.00 O ATOM 986 OE2 GLU A 66 -16.539 15.485 -15.870 1.00 0.00 O ATOM 0 H GLU A 66 -16.570 17.287 -10.479 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.261 14.891 -12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.929 16.811 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.606 17.767 -13.003 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.433 15.118 -14.253 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.194 16.634 -14.693 1.00 0.00 H new ATOM 993 N PHE A 67 -14.904 14.967 -12.875 1.00 0.00 N ATOM 994 CA PHE A 67 -13.464 14.893 -13.223 1.00 0.00 C ATOM 995 C PHE A 67 -13.228 13.955 -14.440 1.00 0.00 C ATOM 996 O PHE A 67 -12.090 13.568 -14.730 1.00 0.00 O ATOM 997 CB PHE A 67 -12.673 14.418 -11.964 1.00 0.00 C ATOM 998 CG PHE A 67 -11.153 14.605 -12.042 1.00 0.00 C ATOM 999 CD1 PHE A 67 -10.599 15.884 -12.066 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -10.283 13.511 -12.098 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -9.232 16.065 -12.142 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -8.916 13.695 -12.176 1.00 0.00 C ATOM 1003 CZ PHE A 67 -8.390 14.972 -12.196 1.00 0.00 C ATOM 0 H PHE A 67 -15.383 14.068 -12.932 1.00 0.00 H new ATOM 0 HA PHE A 67 -13.105 15.879 -13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.046 14.959 -11.094 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.886 13.362 -11.798 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -11.248 16.746 -12.025 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.685 12.509 -12.080 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.821 17.063 -12.159 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.258 12.840 -12.221 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.321 15.115 -12.254 1.00 0.00 H new ATOM 1013 N ASN A 68 -14.323 13.649 -15.175 1.00 0.00 N ATOM 1014 CA ASN A 68 -14.353 12.710 -16.332 1.00 0.00 C ATOM 1015 C ASN A 68 -14.100 11.245 -15.885 1.00 0.00 C ATOM 1016 O ASN A 68 -15.022 10.412 -15.880 1.00 0.00 O ATOM 1017 CB ASN A 68 -13.366 13.120 -17.470 1.00 0.00 C ATOM 1018 CG ASN A 68 -13.591 14.545 -17.967 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -14.356 14.783 -18.892 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -12.932 15.507 -17.352 1.00 0.00 N ATOM 0 H ASN A 68 -15.237 14.057 -14.978 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.359 12.773 -16.746 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.342 13.024 -17.108 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.475 12.428 -18.305 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.054 16.476 -17.645 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.300 15.282 -16.584 1.00 0.00 H new ATOM 1027 N PHE A 69 -12.849 10.955 -15.498 1.00 0.00 N ATOM 1028 CA PHE A 69 -12.399 9.614 -15.071 1.00 0.00 C ATOM 1029 C PHE A 69 -12.019 9.616 -13.559 1.00 0.00 C ATOM 1030 O PHE A 69 -11.389 10.567 -13.080 1.00 0.00 O ATOM 1031 CB PHE A 69 -11.192 9.167 -15.953 1.00 0.00 C ATOM 1032 CG PHE A 69 -9.990 10.136 -15.972 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -9.950 11.220 -16.858 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -8.903 9.963 -15.107 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -8.872 12.091 -16.874 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -7.828 10.834 -15.128 1.00 0.00 C ATOM 1037 CZ PHE A 69 -7.813 11.898 -16.008 1.00 0.00 C ATOM 0 H PHE A 69 -12.107 11.654 -15.471 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.214 8.902 -15.203 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.847 8.195 -15.601 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.543 9.030 -16.976 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.772 11.380 -17.540 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.903 9.136 -14.412 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.860 12.922 -17.564 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.998 10.681 -14.454 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.974 12.578 -16.019 1.00 0.00 H new ATOM 1047 N PRO A 70 -12.428 8.571 -12.772 1.00 0.00 N ATOM 1048 CA PRO A 70 -11.934 8.378 -11.388 1.00 0.00 C ATOM 1049 C PRO A 70 -10.526 7.714 -11.356 1.00 0.00 C ATOM 1050 O PRO A 70 -10.185 6.888 -12.222 1.00 0.00 O ATOM 1051 CB PRO A 70 -13.021 7.467 -10.763 1.00 0.00 C ATOM 1052 CG PRO A 70 -13.505 6.628 -11.915 1.00 0.00 C ATOM 1053 CD PRO A 70 -13.421 7.519 -13.149 1.00 0.00 C ATOM 0 HA PRO A 70 -11.796 9.315 -10.848 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.612 6.849 -9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.831 8.053 -10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -12.889 5.737 -12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.527 6.288 -11.748 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -13.094 6.958 -14.024 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.390 7.955 -13.393 1.00 0.00 H new ATOM 1061 N GLY A 71 -9.706 8.104 -10.363 1.00 0.00 N ATOM 1062 CA GLY A 71 -8.384 7.492 -10.148 1.00 0.00 C ATOM 1063 C GLY A 71 -8.456 6.172 -9.369 1.00 0.00 C ATOM 1064 O GLY A 71 -9.525 5.558 -9.267 1.00 0.00 O ATOM 0 H GLY A 71 -9.937 8.841 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.911 7.313 -11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.748 8.193 -9.607 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.314 5.729 -8.821 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.222 4.455 -8.076 1.00 0.00 C ATOM 1070 C LEU A 72 -7.823 4.593 -6.661 1.00 0.00 C ATOM 1071 O LEU A 72 -7.282 5.299 -5.803 1.00 0.00 O ATOM 1072 CB LEU A 72 -5.747 3.956 -8.003 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.079 3.530 -9.352 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.934 2.498 -10.117 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.694 4.737 -10.237 1.00 0.00 C ATOM 0 H LEU A 72 -6.431 6.237 -8.879 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.805 3.711 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.142 4.747 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.709 3.106 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.143 3.038 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.434 2.229 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.063 1.606 -9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.910 2.929 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.235 4.380 -11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.588 5.313 -10.476 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.987 5.370 -9.701 1.00 0.00 H new ATOM 1087 N LYS A 73 -8.959 3.922 -6.443 1.00 0.00 N ATOM 1088 CA LYS A 73 -9.672 3.914 -5.149 1.00 0.00 C ATOM 1089 C LYS A 73 -9.442 2.562 -4.417 1.00 0.00 C ATOM 1090 O LYS A 73 -8.577 1.766 -4.812 1.00 0.00 O ATOM 1091 CB LYS A 73 -11.190 4.171 -5.389 1.00 0.00 C ATOM 1092 CG LYS A 73 -11.902 3.051 -6.173 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.382 3.354 -6.477 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.052 2.205 -7.251 1.00 0.00 C ATOM 1095 NZ LYS A 73 -13.344 1.902 -8.528 1.00 0.00 N ATOM 0 H LYS A 73 -9.418 3.363 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.281 4.709 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.683 4.295 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.307 5.110 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.374 2.884 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.839 2.124 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.918 3.524 -5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.453 4.274 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.072 1.311 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.088 2.468 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.940 1.286 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.152 2.788 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.446 1.420 -8.321 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.222 2.321 -3.346 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.189 1.061 -2.584 1.00 0.00 C ATOM 1111 C ALA A 74 -10.632 -0.140 -3.451 1.00 0.00 C ATOM 1112 O ALA A 74 -11.713 -0.116 -4.060 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.072 1.190 -1.343 1.00 0.00 C ATOM 0 H ALA A 74 -10.894 2.998 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.161 0.872 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.047 0.257 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.703 2.002 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.097 1.403 -1.646 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.777 -1.174 -3.510 1.00 0.00 N ATOM 1120 CA GLY A 75 -10.035 -2.379 -4.318 1.00 0.00 C ATOM 1121 C GLY A 75 -9.424 -2.341 -5.729 1.00 0.00 C ATOM 1122 O GLY A 75 -9.536 -3.319 -6.479 1.00 0.00 O ATOM 0 H GLY A 75 -8.893 -1.199 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.643 -3.247 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.112 -2.519 -4.406 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.780 -1.217 -6.091 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.035 -1.087 -7.363 1.00 0.00 C ATOM 1128 C ASP A 76 -6.525 -1.345 -7.137 1.00 0.00 C ATOM 1129 O ASP A 76 -5.895 -0.679 -6.307 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.258 0.323 -7.984 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.704 0.611 -8.430 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.480 -0.341 -8.681 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.066 1.800 -8.585 1.00 0.00 O ATOM 0 H ASP A 76 -8.759 -0.375 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.412 -1.835 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.961 1.077 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.598 0.434 -8.845 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.951 -2.325 -7.866 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.499 -2.624 -7.798 1.00 0.00 C ATOM 1140 C ARG A 77 -3.810 -2.320 -9.180 1.00 0.00 C ATOM 1141 O ARG A 77 -3.781 -3.151 -10.091 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.251 -4.098 -7.265 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.460 -5.312 -8.222 1.00 0.00 C ATOM 1144 CD ARG A 77 -5.847 -5.388 -8.890 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.947 -5.605 -7.943 1.00 0.00 N ATOM 1146 CZ ARG A 77 -8.173 -5.973 -8.272 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -8.521 -6.155 -9.514 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -9.046 -6.158 -7.341 1.00 0.00 N ATOM 0 H ARG A 77 -6.468 -2.924 -8.509 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.024 -1.964 -7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.225 -4.144 -6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.902 -4.247 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.700 -5.274 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.294 -6.231 -7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.028 -4.463 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.844 -6.196 -9.621 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.750 -5.460 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.840 -6.013 -10.260 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.474 -6.439 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.787 -6.020 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.996 -6.442 -7.582 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.309 -1.074 -9.334 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.620 -0.616 -10.574 1.00 0.00 C ATOM 1164 C TRP A 78 -2.004 0.781 -10.353 1.00 0.00 C ATOM 1165 O TRP A 78 -2.721 1.689 -9.972 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.594 -0.568 -11.790 1.00 0.00 C ATOM 1167 CG TRP A 78 -2.907 -0.204 -13.092 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.161 -1.034 -13.883 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -2.886 1.083 -13.736 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -1.677 -0.345 -14.962 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.109 0.953 -14.897 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -3.451 2.329 -13.434 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -1.875 2.019 -15.758 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -3.220 3.389 -14.293 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -2.436 3.226 -15.446 1.00 0.00 C ATOM 0 H TRP A 78 -3.367 -0.357 -8.611 1.00 0.00 H new ATOM 0 HA TRP A 78 -1.833 -1.336 -10.797 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.075 -1.540 -11.900 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.382 0.157 -11.587 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -1.980 -2.080 -13.685 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -1.088 -0.736 -15.697 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.055 2.460 -12.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.270 1.898 -16.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -3.649 4.355 -14.073 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -2.273 4.070 -16.099 1.00 0.00 H new ATOM 1186 N CYS A 79 -0.681 0.933 -10.587 1.00 0.00 N ATOM 1187 CA CYS A 79 0.052 2.237 -10.450 1.00 0.00 C ATOM 1188 C CYS A 79 -0.199 2.960 -9.090 1.00 0.00 C ATOM 1189 O CYS A 79 -0.056 4.188 -8.990 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.254 3.169 -11.649 1.00 0.00 C ATOM 1191 SG CYS A 79 0.399 2.581 -13.232 1.00 0.00 S ATOM 0 H CYS A 79 -0.080 0.161 -10.877 1.00 0.00 H new ATOM 0 HA CYS A 79 1.114 1.990 -10.458 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.334 3.288 -11.736 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.160 4.156 -11.442 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.577 2.134 -13.965 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.535 2.168 -8.051 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.748 2.668 -6.680 1.00 0.00 C ATOM 1199 C LEU A 80 0.598 3.188 -6.131 1.00 0.00 C ATOM 1200 O LEU A 80 1.559 2.424 -6.036 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.359 1.531 -5.766 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.738 1.869 -4.264 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.519 1.846 -3.310 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.517 3.202 -4.165 1.00 0.00 C ATOM 0 H LEU A 80 -0.666 1.161 -8.141 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.465 3.489 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.260 1.163 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.647 0.706 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.398 1.070 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.845 2.085 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.067 0.854 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.214 2.582 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.761 3.404 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.903 4.012 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.437 3.130 -4.746 1.00 0.00 H new ATOM 1216 N CYS A 81 0.657 4.491 -5.805 1.00 0.00 N ATOM 1217 CA CYS A 81 1.861 5.122 -5.233 1.00 0.00 C ATOM 1218 C CYS A 81 2.215 4.481 -3.869 1.00 0.00 C ATOM 1219 O CYS A 81 1.529 4.697 -2.864 1.00 0.00 O ATOM 1220 CB CYS A 81 1.645 6.649 -5.112 1.00 0.00 C ATOM 1221 SG CYS A 81 0.074 7.115 -4.333 1.00 0.00 S ATOM 0 H CYS A 81 -0.124 5.135 -5.930 1.00 0.00 H new ATOM 0 HA CYS A 81 2.708 4.953 -5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.465 7.077 -4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.690 7.092 -6.107 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.014 8.411 -4.275 1.00 0.00 H new ATOM 1227 N ALA A 82 3.287 3.656 -3.885 1.00 0.00 N ATOM 1228 CA ALA A 82 3.770 2.863 -2.722 1.00 0.00 C ATOM 1229 C ALA A 82 4.059 3.716 -1.461 1.00 0.00 C ATOM 1230 O ALA A 82 4.094 3.180 -0.360 1.00 0.00 O ATOM 1231 CB ALA A 82 5.017 2.053 -3.111 1.00 0.00 C ATOM 0 H ALA A 82 3.854 3.517 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 82 2.955 2.190 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.360 1.478 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.770 1.374 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.807 2.732 -3.431 1.00 0.00 H new ATOM 1237 N SER A 83 4.327 5.020 -1.651 1.00 0.00 N ATOM 1238 CA SER A 83 4.494 5.993 -0.541 1.00 0.00 C ATOM 1239 C SER A 83 3.227 6.084 0.367 1.00 0.00 C ATOM 1240 O SER A 83 3.351 6.221 1.582 1.00 0.00 O ATOM 1241 CB SER A 83 4.829 7.390 -1.114 1.00 0.00 C ATOM 1242 OG SER A 83 5.998 7.350 -1.926 1.00 0.00 O ATOM 0 H SER A 83 4.435 5.436 -2.576 1.00 0.00 H new ATOM 0 HA SER A 83 5.315 5.637 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.987 7.755 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.976 8.095 -0.296 1.00 0.00 H new ATOM 0 HG SER A 83 6.184 8.246 -2.276 1.00 0.00 H new ATOM 1248 N ARG A 84 2.023 6.025 -0.249 1.00 0.00 N ATOM 1249 CA ARG A 84 0.716 6.064 0.477 1.00 0.00 C ATOM 1250 C ARG A 84 0.395 4.725 1.190 1.00 0.00 C ATOM 1251 O ARG A 84 -0.205 4.715 2.273 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.436 6.433 -0.492 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.311 7.832 -1.131 1.00 0.00 C ATOM 1254 CD ARG A 84 -0.220 8.957 -0.086 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.369 8.967 0.838 1.00 0.00 N ATOM 1256 CZ ARG A 84 -2.345 9.850 0.848 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.402 10.816 -0.021 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -3.261 9.767 1.753 1.00 0.00 N ATOM 0 H ARG A 84 1.922 5.949 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 84 0.806 6.833 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.479 5.687 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.381 6.378 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.575 7.859 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.171 8.010 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.701 8.843 0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.161 9.918 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.411 8.222 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.678 10.904 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.170 11.486 0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.223 9.023 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.023 10.445 1.771 1.00 0.00 H new ATOM 1272 N TRP A 85 0.776 3.607 0.556 1.00 0.00 N ATOM 1273 CA TRP A 85 0.678 2.262 1.165 1.00 0.00 C ATOM 1274 C TRP A 85 1.631 2.175 2.395 1.00 0.00 C ATOM 1275 O TRP A 85 1.236 1.719 3.478 1.00 0.00 O ATOM 1276 CB TRP A 85 0.958 1.173 0.070 1.00 0.00 C ATOM 1277 CG TRP A 85 1.516 -0.127 0.596 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.675 -0.714 0.211 1.00 0.00 C ATOM 1279 CD2 TRP A 85 0.966 -0.970 1.628 1.00 0.00 C ATOM 1280 NE1 TRP A 85 2.917 -1.822 0.975 1.00 0.00 N ATOM 1281 CE2 TRP A 85 1.881 -2.006 1.837 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.195 -0.935 2.403 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.681 -2.992 2.788 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.391 -1.917 3.337 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.540 -2.931 3.525 1.00 0.00 C ATOM 0 H TRP A 85 1.160 3.603 -0.389 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.328 2.075 1.541 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.029 0.965 -0.461 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.657 1.583 -0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.314 -0.359 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 85 3.743 -2.416 0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.924 -0.149 2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.404 -3.780 2.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.287 -1.903 3.940 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.353 -3.687 4.273 1.00 0.00 H new ATOM 1296 N GLN A 86 2.868 2.660 2.206 1.00 0.00 N ATOM 1297 CA GLN A 86 3.877 2.788 3.282 1.00 0.00 C ATOM 1298 C GLN A 86 3.347 3.672 4.426 1.00 0.00 C ATOM 1299 O GLN A 86 3.487 3.329 5.594 1.00 0.00 O ATOM 1300 CB GLN A 86 5.193 3.391 2.708 1.00 0.00 C ATOM 1301 CG GLN A 86 6.343 3.575 3.731 1.00 0.00 C ATOM 1302 CD GLN A 86 6.774 2.272 4.411 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.652 1.568 3.935 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.162 1.946 5.532 1.00 0.00 N ATOM 0 H GLN A 86 3.204 2.978 1.297 1.00 0.00 H new ATOM 0 HA GLN A 86 4.082 1.795 3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.546 2.747 1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.965 4.361 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.203 4.012 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.028 4.287 4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.432 2.551 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.418 1.089 6.022 1.00 0.00 H new ATOM 1313 N GLU A 87 2.714 4.794 4.048 1.00 0.00 N ATOM 1314 CA GLU A 87 2.127 5.784 4.984 1.00 0.00 C ATOM 1315 C GLU A 87 1.114 5.129 5.966 1.00 0.00 C ATOM 1316 O GLU A 87 1.055 5.501 7.144 1.00 0.00 O ATOM 1317 CB GLU A 87 1.424 6.894 4.165 1.00 0.00 C ATOM 1318 CG GLU A 87 0.759 8.021 4.982 1.00 0.00 C ATOM 1319 CD GLU A 87 -0.084 8.952 4.099 1.00 0.00 C ATOM 1320 OE1 GLU A 87 -1.185 8.532 3.684 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.333 10.093 3.808 1.00 0.00 O ATOM 0 H GLU A 87 2.590 5.049 3.068 1.00 0.00 H new ATOM 0 HA GLU A 87 2.933 6.206 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.157 7.343 3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.663 6.429 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.127 7.584 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.528 8.602 5.491 1.00 0.00 H new ATOM 1328 N ALA A 88 0.321 4.162 5.459 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.609 3.368 6.294 1.00 0.00 C ATOM 1330 C ALA A 88 0.127 2.525 7.359 1.00 0.00 C ATOM 1331 O ALA A 88 -0.348 2.410 8.482 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.502 2.487 5.420 1.00 0.00 C ATOM 0 H ALA A 88 0.305 3.910 4.471 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.238 4.076 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.178 1.912 6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.084 3.115 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.882 1.805 4.838 1.00 0.00 H new ATOM 1338 N PHE A 89 1.281 1.939 7.000 1.00 0.00 N ATOM 1339 CA PHE A 89 2.147 1.210 7.970 1.00 0.00 C ATOM 1340 C PHE A 89 2.789 2.177 8.995 1.00 0.00 C ATOM 1341 O PHE A 89 2.874 1.869 10.191 1.00 0.00 O ATOM 1342 CB PHE A 89 3.232 0.410 7.214 1.00 0.00 C ATOM 1343 CG PHE A 89 4.232 -0.335 8.109 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.866 -1.509 8.771 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.538 0.143 8.291 1.00 0.00 C ATOM 1346 CE1 PHE A 89 4.767 -2.180 9.580 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.437 -0.530 9.099 1.00 0.00 C ATOM 1348 CZ PHE A 89 6.052 -1.691 9.745 1.00 0.00 C ATOM 0 H PHE A 89 1.645 1.950 6.047 1.00 0.00 H new ATOM 0 HA PHE A 89 1.521 0.514 8.528 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.741 -0.314 6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.784 1.095 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.866 -1.899 8.650 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.847 1.050 7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.467 -3.087 10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.440 -0.149 9.225 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.753 -2.216 10.377 1.00 0.00 H new ATOM 1358 N GLU A 90 3.217 3.346 8.503 1.00 0.00 N ATOM 1359 CA GLU A 90 3.840 4.410 9.321 1.00 0.00 C ATOM 1360 C GLU A 90 2.857 4.973 10.377 1.00 0.00 C ATOM 1361 O GLU A 90 3.258 5.358 11.480 1.00 0.00 O ATOM 1362 CB GLU A 90 4.342 5.533 8.376 1.00 0.00 C ATOM 1363 CG GLU A 90 5.427 5.089 7.368 1.00 0.00 C ATOM 1364 CD GLU A 90 6.745 4.671 8.038 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.543 5.566 8.402 1.00 0.00 O ATOM 1366 OE2 GLU A 90 6.984 3.457 8.219 1.00 0.00 O ATOM 0 H GLU A 90 3.143 3.589 7.515 1.00 0.00 H new ATOM 0 HA GLU A 90 4.680 3.987 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.492 5.931 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.739 6.348 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.046 4.254 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.624 5.906 6.673 1.00 0.00 H new ATOM 1373 N ALA A 91 1.565 5.006 10.012 1.00 0.00 N ATOM 1374 CA ALA A 91 0.466 5.425 10.909 1.00 0.00 C ATOM 1375 C ALA A 91 -0.183 4.218 11.644 1.00 0.00 C ATOM 1376 O ALA A 91 -0.911 4.401 12.624 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.570 6.201 10.091 1.00 0.00 C ATOM 0 H ALA A 91 1.247 4.741 9.080 1.00 0.00 H new ATOM 0 HA ALA A 91 0.875 6.069 11.687 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.386 6.516 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.100 7.079 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.962 5.562 9.300 1.00 0.00 H new ATOM 1383 N GLY A 92 0.081 2.992 11.145 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.387 1.745 11.790 1.00 0.00 C ATOM 1385 C GLY A 92 -1.574 1.050 11.092 1.00 0.00 C ATOM 1386 O GLY A 92 -1.778 -0.151 11.274 1.00 0.00 O ATOM 0 H GLY A 92 0.619 2.838 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.447 1.044 11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.672 1.971 12.817 1.00 0.00 H new ATOM 1390 N MET A 93 -2.348 1.789 10.270 1.00 0.00 N ATOM 1391 CA MET A 93 -3.598 1.270 9.625 1.00 0.00 C ATOM 1392 C MET A 93 -3.338 0.605 8.238 1.00 0.00 C ATOM 1393 O MET A 93 -4.197 0.668 7.345 1.00 0.00 O ATOM 1394 CB MET A 93 -4.629 2.420 9.475 1.00 0.00 C ATOM 1395 CG MET A 93 -4.957 3.171 10.774 1.00 0.00 C ATOM 1396 SD MET A 93 -3.757 4.457 11.175 1.00 0.00 S ATOM 1397 CE MET A 93 -4.091 5.649 9.872 1.00 0.00 C ATOM 0 H MET A 93 -2.136 2.757 10.028 1.00 0.00 H new ATOM 0 HA MET A 93 -3.993 0.492 10.279 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.249 3.135 8.745 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.553 2.009 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.946 3.621 10.686 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.003 2.457 11.597 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.724 6.630 10.173 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.587 5.338 8.957 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.165 5.702 9.694 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.163 -0.036 8.087 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.752 -0.761 6.857 1.00 0.00 C ATOM 1409 C ALA A 94 -2.766 -1.863 6.390 1.00 0.00 C ATOM 1410 O ALA A 94 -2.959 -2.865 7.090 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.360 -1.366 7.068 1.00 0.00 C ATOM 0 H ALA A 94 -1.458 -0.068 8.824 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.734 -0.026 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.055 -1.899 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.354 -0.570 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.388 -2.060 7.908 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.443 -1.664 5.205 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.324 -2.696 4.558 1.00 0.00 C ATOM 1419 C PRO A 95 -3.602 -4.036 4.183 1.00 0.00 C ATOM 1420 O PRO A 95 -2.376 -4.141 4.297 1.00 0.00 O ATOM 1421 CB PRO A 95 -4.805 -1.966 3.268 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.718 -0.516 3.611 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.460 -0.394 4.424 1.00 0.00 C ATOM 0 HA PRO A 95 -5.113 -3.017 5.238 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.174 -2.211 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.823 -2.252 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.672 0.102 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.590 -0.190 4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.578 -0.297 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.483 0.480 5.075 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.363 -5.099 3.751 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.769 -6.319 3.150 1.00 0.00 C ATOM 1433 C PRO A 96 -3.400 -6.110 1.646 1.00 0.00 C ATOM 1434 O PRO A 96 -4.283 -5.919 0.799 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.889 -7.398 3.333 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.013 -6.715 4.077 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.836 -5.237 3.837 1.00 0.00 C ATOM 0 HA PRO A 96 -2.828 -6.604 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.231 -7.772 2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.516 -8.256 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.983 -7.055 3.715 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.972 -6.945 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.328 -4.913 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.252 -4.641 4.649 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.093 -6.128 1.335 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.566 -5.941 -0.043 1.00 0.00 C ATOM 1447 C VAL A 97 -1.226 -7.310 -0.689 1.00 0.00 C ATOM 1448 O VAL A 97 -1.026 -8.313 0.002 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.294 -5.000 -0.032 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.844 -5.604 0.817 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.212 -4.647 -1.461 1.00 0.00 C ATOM 0 H VAL A 97 -1.362 -6.273 2.031 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.341 -5.462 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.612 -4.065 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.703 -4.933 0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.502 -5.735 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.132 -6.571 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.086 -4.000 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.482 -5.562 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.577 -4.132 -2.009 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.210 -7.344 -2.026 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.764 -8.521 -2.802 1.00 0.00 C ATOM 1463 C VAL A 98 0.783 -8.592 -2.925 1.00 0.00 C ATOM 1464 O VAL A 98 1.500 -7.624 -2.648 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.397 -8.520 -4.246 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.941 -8.560 -4.187 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -0.908 -7.307 -5.074 1.00 0.00 C ATOM 0 H VAL A 98 -1.505 -6.559 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.106 -9.398 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.060 -9.427 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.344 -8.558 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.262 -9.464 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.307 -7.686 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.363 -7.335 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.193 -6.384 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.177 -7.347 -5.172 1.00 0.00 H new ATOM 1477 N LEU A 99 1.278 -9.773 -3.318 1.00 0.00 N ATOM 1478 CA LEU A 99 2.660 -9.966 -3.825 1.00 0.00 C ATOM 1479 C LEU A 99 2.627 -10.342 -5.330 1.00 0.00 C ATOM 1480 O LEU A 99 3.658 -10.312 -6.007 1.00 0.00 O ATOM 1481 CB LEU A 99 3.397 -11.067 -3.007 1.00 0.00 C ATOM 1482 CG LEU A 99 3.751 -10.705 -1.529 1.00 0.00 C ATOM 1483 CD1 LEU A 99 4.404 -11.893 -0.793 1.00 0.00 C ATOM 1484 CD2 LEU A 99 4.655 -9.458 -1.466 1.00 0.00 C ATOM 0 H LEU A 99 0.732 -10.635 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 99 3.207 -9.030 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.777 -11.963 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.320 -11.322 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 99 2.816 -10.475 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.636 -11.603 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.716 -12.738 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.322 -12.178 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.886 -9.228 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.580 -9.651 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.139 -8.611 -1.919 1.00 0.00 H new ATOM 1496 N GLN A 100 1.425 -10.709 -5.833 1.00 0.00 N ATOM 1497 CA GLN A 100 1.210 -11.104 -7.243 1.00 0.00 C ATOM 1498 C GLN A 100 1.309 -9.881 -8.189 1.00 0.00 C ATOM 1499 O GLN A 100 2.275 -9.747 -8.942 1.00 0.00 O ATOM 1500 CB GLN A 100 -0.171 -11.800 -7.392 1.00 0.00 C ATOM 1501 CG GLN A 100 -0.342 -13.081 -6.556 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.714 -13.735 -6.740 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.909 -14.565 -7.623 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.680 -13.358 -5.920 1.00 0.00 N ATOM 0 H GLN A 100 0.575 -10.739 -5.270 1.00 0.00 H new ATOM 0 HA GLN A 100 1.994 -11.806 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.951 -11.092 -7.110 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.327 -12.045 -8.443 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.435 -13.795 -6.831 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.197 -12.843 -5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.492 -12.666 -5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.613 -13.759 -6.013 1.00 0.00 H new ATOM 1513 N SER A 101 0.305 -8.985 -8.121 1.00 0.00 N ATOM 1514 CA SER A 101 0.245 -7.760 -8.968 1.00 0.00 C ATOM 1515 C SER A 101 1.382 -6.760 -8.628 1.00 0.00 C ATOM 1516 O SER A 101 1.861 -6.031 -9.506 1.00 0.00 O ATOM 1517 CB SER A 101 -1.138 -7.081 -8.820 1.00 0.00 C ATOM 1518 OG SER A 101 -1.268 -5.947 -9.662 1.00 0.00 O ATOM 0 H SER A 101 -0.486 -9.081 -7.484 1.00 0.00 H new ATOM 0 HA SER A 101 0.387 -8.067 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.922 -7.800 -9.058 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.285 -6.781 -7.783 1.00 0.00 H new ATOM 0 HG SER A 101 -2.016 -6.083 -10.280 1.00 0.00 H new ATOM 1524 N THR A 102 1.797 -6.742 -7.345 1.00 0.00 N ATOM 1525 CA THR A 102 2.937 -5.914 -6.858 1.00 0.00 C ATOM 1526 C THR A 102 4.279 -6.322 -7.528 1.00 0.00 C ATOM 1527 O THR A 102 4.657 -7.495 -7.515 1.00 0.00 O ATOM 1528 CB THR A 102 3.071 -5.997 -5.293 1.00 0.00 C ATOM 1529 OG1 THR A 102 1.841 -5.587 -4.667 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.209 -5.113 -4.754 1.00 0.00 C ATOM 0 H THR A 102 1.357 -7.298 -6.612 1.00 0.00 H new ATOM 0 HA THR A 102 2.719 -4.884 -7.139 1.00 0.00 H new ATOM 0 HB THR A 102 3.299 -7.036 -5.054 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.605 -6.224 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.259 -5.206 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.156 -5.432 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.019 -4.073 -5.021 1.00 0.00 H new ATOM 1538 N GLU A 103 4.983 -5.326 -8.103 1.00 0.00 N ATOM 1539 CA GLU A 103 6.249 -5.533 -8.858 1.00 0.00 C ATOM 1540 C GLU A 103 7.487 -5.217 -7.963 1.00 0.00 C ATOM 1541 O GLU A 103 7.360 -4.585 -6.908 1.00 0.00 O ATOM 1542 CB GLU A 103 6.219 -4.632 -10.146 1.00 0.00 C ATOM 1543 CG GLU A 103 6.898 -5.191 -11.423 1.00 0.00 C ATOM 1544 CD GLU A 103 8.435 -5.237 -11.371 1.00 0.00 C ATOM 1545 OE1 GLU A 103 9.062 -4.172 -11.203 1.00 0.00 O ATOM 1546 OE2 GLU A 103 9.010 -6.345 -11.442 1.00 0.00 O ATOM 0 H GLU A 103 4.693 -4.349 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 103 6.336 -6.578 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.177 -4.419 -10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.691 -3.680 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.525 -6.199 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.596 -4.581 -12.274 1.00 0.00 H new ATOM 1553 N LYS A 104 8.667 -5.672 -8.411 1.00 0.00 N ATOM 1554 CA LYS A 104 9.980 -5.428 -7.771 1.00 0.00 C ATOM 1555 C LYS A 104 10.282 -3.914 -7.519 1.00 0.00 C ATOM 1556 O LYS A 104 10.935 -3.564 -6.525 1.00 0.00 O ATOM 1557 CB LYS A 104 11.077 -6.084 -8.669 1.00 0.00 C ATOM 1558 CG LYS A 104 12.510 -6.063 -8.109 1.00 0.00 C ATOM 1559 CD LYS A 104 12.610 -6.689 -6.703 1.00 0.00 C ATOM 1560 CE LYS A 104 12.180 -8.170 -6.632 1.00 0.00 C ATOM 1561 NZ LYS A 104 13.084 -9.056 -7.403 1.00 0.00 N ATOM 0 H LYS A 104 8.742 -6.239 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 104 9.970 -5.878 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.795 -7.121 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.078 -5.578 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.169 -6.602 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.865 -5.033 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.639 -6.605 -6.354 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.992 -6.111 -6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.162 -8.491 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.164 -8.270 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.755 -10.040 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.083 -8.768 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.049 -8.983 -7.023 1.00 0.00 H new ATOM 1575 N SER A 105 9.790 -3.027 -8.409 1.00 0.00 N ATOM 1576 CA SER A 105 9.965 -1.548 -8.270 1.00 0.00 C ATOM 1577 C SER A 105 9.338 -0.972 -6.966 1.00 0.00 C ATOM 1578 O SER A 105 9.772 0.082 -6.479 1.00 0.00 O ATOM 1579 CB SER A 105 9.395 -0.812 -9.498 1.00 0.00 C ATOM 1580 OG SER A 105 10.046 -1.199 -10.698 1.00 0.00 O ATOM 0 H SER A 105 9.264 -3.302 -9.239 1.00 0.00 H new ATOM 0 HA SER A 105 11.040 -1.377 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.328 -1.018 -9.581 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.502 0.264 -9.358 1.00 0.00 H new ATOM 0 HG SER A 105 9.378 -1.484 -11.356 1.00 0.00 H new ATOM 1586 N ALA A 106 8.308 -1.656 -6.422 1.00 0.00 N ATOM 1587 CA ALA A 106 7.654 -1.271 -5.139 1.00 0.00 C ATOM 1588 C ALA A 106 8.634 -1.289 -3.941 1.00 0.00 C ATOM 1589 O ALA A 106 8.519 -0.473 -3.019 1.00 0.00 O ATOM 1590 CB ALA A 106 6.469 -2.203 -4.858 1.00 0.00 C ATOM 0 H ALA A 106 7.904 -2.488 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 106 7.304 -0.245 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.995 -1.916 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.744 -2.125 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.824 -3.231 -4.786 1.00 0.00 H new ATOM 1596 N LEU A 107 9.600 -2.220 -3.985 1.00 0.00 N ATOM 1597 CA LEU A 107 10.611 -2.418 -2.913 1.00 0.00 C ATOM 1598 C LEU A 107 11.499 -1.164 -2.704 1.00 0.00 C ATOM 1599 O LEU A 107 12.031 -0.951 -1.613 1.00 0.00 O ATOM 1600 CB LEU A 107 11.494 -3.668 -3.216 1.00 0.00 C ATOM 1601 CG LEU A 107 10.842 -5.071 -2.966 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.582 -5.323 -3.826 1.00 0.00 C ATOM 1603 CD2 LEU A 107 11.883 -6.198 -3.148 1.00 0.00 C ATOM 0 H LEU A 107 9.709 -2.865 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 107 10.065 -2.585 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.805 -3.619 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.398 -3.601 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 107 10.501 -5.074 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.181 -6.312 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.830 -4.567 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.845 -5.268 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.409 -7.163 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.277 -6.169 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.699 -6.058 -2.439 1.00 0.00 H new ATOM 1615 N ARG A 108 11.616 -0.335 -3.753 1.00 0.00 N ATOM 1616 CA ARG A 108 12.416 0.916 -3.737 1.00 0.00 C ATOM 1617 C ARG A 108 11.734 2.057 -2.932 1.00 0.00 C ATOM 1618 O ARG A 108 12.349 3.097 -2.672 1.00 0.00 O ATOM 1619 CB ARG A 108 12.662 1.367 -5.197 1.00 0.00 C ATOM 1620 CG ARG A 108 13.342 0.297 -6.082 1.00 0.00 C ATOM 1621 CD ARG A 108 13.655 0.811 -7.495 1.00 0.00 C ATOM 1622 NE ARG A 108 14.536 1.997 -7.459 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.425 2.324 -8.368 1.00 0.00 C ATOM 1624 NH1 ARG A 108 15.656 1.561 -9.392 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.104 3.415 -8.225 1.00 0.00 N ATOM 0 H ARG A 108 11.157 -0.509 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 108 13.360 0.705 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.708 1.642 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.281 2.264 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.266 -0.030 -5.605 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.694 -0.576 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.132 0.020 -8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.725 1.063 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 108 14.445 2.618 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.142 0.687 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.351 1.835 -10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.946 4.011 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.797 3.680 -8.925 1.00 0.00 H new ATOM 1639 N TYR A 109 10.450 1.860 -2.575 1.00 0.00 N ATOM 1640 CA TYR A 109 9.636 2.847 -1.821 1.00 0.00 C ATOM 1641 C TYR A 109 9.214 2.301 -0.432 1.00 0.00 C ATOM 1642 O TYR A 109 9.352 2.989 0.586 1.00 0.00 O ATOM 1643 CB TYR A 109 8.359 3.204 -2.630 1.00 0.00 C ATOM 1644 CG TYR A 109 8.597 3.946 -3.951 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.008 3.270 -5.107 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.399 5.325 -4.040 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.208 3.947 -6.296 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.598 6.004 -5.222 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.007 5.315 -6.347 1.00 0.00 C ATOM 1650 OH TYR A 109 9.208 5.993 -7.528 1.00 0.00 O ATOM 0 H TYR A 109 9.940 1.006 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 109 10.252 3.734 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.817 2.283 -2.844 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.712 3.816 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.171 2.203 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.083 5.871 -3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.519 3.411 -7.180 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.435 7.071 -5.269 1.00 0.00 H new ATOM 0 HH TYR A 109 9.624 5.394 -8.182 1.00 0.00 H new ATOM 1660 N VAL A 110 8.673 1.065 -0.412 1.00 0.00 N ATOM 1661 CA VAL A 110 8.022 0.483 0.791 1.00 0.00 C ATOM 1662 C VAL A 110 8.803 -0.729 1.378 1.00 0.00 C ATOM 1663 O VAL A 110 8.685 -1.021 2.577 1.00 0.00 O ATOM 1664 CB VAL A 110 6.547 0.056 0.446 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.488 -1.072 -0.616 1.00 0.00 C ATOM 1666 CG2 VAL A 110 5.776 -0.338 1.719 1.00 0.00 C ATOM 0 H VAL A 110 8.672 0.443 -1.220 1.00 0.00 H new ATOM 0 HA VAL A 110 8.019 1.258 1.558 1.00 0.00 H new ATOM 0 HB VAL A 110 6.060 0.926 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.448 -1.328 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.962 -0.730 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.013 -1.951 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.760 -0.629 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.278 -1.175 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.744 0.511 2.402 1.00 0.00 H new ATOM 1676 N SER A 111 9.601 -1.397 0.514 1.00 0.00 N ATOM 1677 CA SER A 111 10.328 -2.665 0.821 1.00 0.00 C ATOM 1678 C SER A 111 9.394 -3.895 0.841 1.00 0.00 C ATOM 1679 O SER A 111 8.218 -3.805 1.206 1.00 0.00 O ATOM 1680 CB SER A 111 11.154 -2.597 2.136 1.00 0.00 C ATOM 1681 OG SER A 111 11.818 -3.825 2.420 1.00 0.00 O ATOM 0 H SER A 111 9.766 -1.069 -0.438 1.00 0.00 H new ATOM 0 HA SER A 111 11.033 -2.786 -0.001 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.891 -1.797 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.493 -2.343 2.965 1.00 0.00 H new ATOM 0 HG SER A 111 12.326 -3.737 3.253 1.00 0.00 H new ATOM 1687 N LEU A 112 9.964 -5.046 0.446 1.00 0.00 N ATOM 1688 CA LEU A 112 9.282 -6.360 0.439 1.00 0.00 C ATOM 1689 C LEU A 112 8.775 -6.760 1.841 1.00 0.00 C ATOM 1690 O LEU A 112 7.682 -7.299 1.964 1.00 0.00 O ATOM 1691 CB LEU A 112 10.258 -7.423 -0.157 1.00 0.00 C ATOM 1692 CG LEU A 112 9.912 -8.956 -0.010 1.00 0.00 C ATOM 1693 CD1 LEU A 112 10.426 -9.774 -1.219 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.482 -9.554 1.310 1.00 0.00 C ATOM 0 H LEU A 112 10.928 -5.095 0.116 1.00 0.00 H new ATOM 0 HA LEU A 112 8.391 -6.298 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.363 -7.211 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.235 -7.262 0.298 1.00 0.00 H new ATOM 0 HG LEU A 112 8.825 -9.025 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.170 -10.825 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.962 -9.403 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.509 -9.671 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.222 -10.611 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.567 -9.446 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.057 -9.024 2.163 1.00 0.00 H new ATOM 1706 N ALA A 113 9.574 -6.465 2.881 1.00 0.00 N ATOM 1707 CA ALA A 113 9.269 -6.859 4.281 1.00 0.00 C ATOM 1708 C ALA A 113 7.880 -6.352 4.757 1.00 0.00 C ATOM 1709 O ALA A 113 7.152 -7.070 5.450 1.00 0.00 O ATOM 1710 CB ALA A 113 10.380 -6.352 5.210 1.00 0.00 C ATOM 0 H ALA A 113 10.448 -5.949 2.783 1.00 0.00 H new ATOM 0 HA ALA A 113 9.228 -7.948 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.156 -6.641 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.333 -6.788 4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.442 -5.266 5.144 1.00 0.00 H new ATOM 1716 N ASP A 114 7.527 -5.118 4.347 1.00 0.00 N ATOM 1717 CA ASP A 114 6.211 -4.501 4.641 1.00 0.00 C ATOM 1718 C ASP A 114 5.082 -5.258 3.897 1.00 0.00 C ATOM 1719 O ASP A 114 4.043 -5.590 4.486 1.00 0.00 O ATOM 1720 CB ASP A 114 6.226 -3.012 4.212 1.00 0.00 C ATOM 1721 CG ASP A 114 5.125 -2.128 4.845 1.00 0.00 C ATOM 1722 OD1 ASP A 114 4.001 -2.613 5.104 1.00 0.00 O ATOM 1723 OD2 ASP A 114 5.392 -0.930 5.075 1.00 0.00 O ATOM 0 H ASP A 114 8.145 -4.517 3.802 1.00 0.00 H new ATOM 0 HA ASP A 114 6.022 -4.564 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.198 -2.588 4.464 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.129 -2.963 3.127 1.00 0.00 H new ATOM 1728 N LEU A 115 5.337 -5.561 2.608 1.00 0.00 N ATOM 1729 CA LEU A 115 4.369 -6.229 1.722 1.00 0.00 C ATOM 1730 C LEU A 115 3.970 -7.599 2.309 1.00 0.00 C ATOM 1731 O LEU A 115 2.793 -7.935 2.429 1.00 0.00 O ATOM 1732 CB LEU A 115 4.998 -6.433 0.320 1.00 0.00 C ATOM 1733 CG LEU A 115 5.542 -5.162 -0.393 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.268 -5.512 -1.697 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.427 -4.154 -0.663 1.00 0.00 C ATOM 0 H LEU A 115 6.224 -5.347 2.153 1.00 0.00 H new ATOM 0 HA LEU A 115 3.480 -5.604 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.816 -7.147 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.249 -6.891 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 115 6.263 -4.704 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.634 -4.599 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.109 -6.170 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.578 -6.016 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.841 -3.278 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.670 -4.611 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.972 -3.853 0.281 1.00 0.00 H new ATOM 1747 N GLN A 116 5.005 -8.338 2.726 1.00 0.00 N ATOM 1748 CA GLN A 116 4.899 -9.708 3.256 1.00 0.00 C ATOM 1749 C GLN A 116 4.342 -9.752 4.683 1.00 0.00 C ATOM 1750 O GLN A 116 3.701 -10.730 5.074 1.00 0.00 O ATOM 1751 CB GLN A 116 6.288 -10.362 3.195 1.00 0.00 C ATOM 1752 CG GLN A 116 6.890 -10.352 1.772 1.00 0.00 C ATOM 1753 CD GLN A 116 7.688 -11.603 1.430 1.00 0.00 C ATOM 1754 OE1 GLN A 116 8.306 -12.212 2.298 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.695 -11.983 0.165 1.00 0.00 N ATOM 0 H GLN A 116 5.965 -7.994 2.705 1.00 0.00 H new ATOM 0 HA GLN A 116 4.189 -10.260 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.962 -9.839 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.216 -11.391 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.083 -10.238 1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.537 -9.481 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.169 -11.452 -0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 116 8.226 -12.807 -0.117 1.00 0.00 H new ATOM 1764 N ALA A 117 4.610 -8.683 5.453 1.00 0.00 N ATOM 1765 CA ALA A 117 3.986 -8.468 6.786 1.00 0.00 C ATOM 1766 C ALA A 117 2.437 -8.352 6.702 1.00 0.00 C ATOM 1767 O ALA A 117 1.742 -8.504 7.714 1.00 0.00 O ATOM 1768 CB ALA A 117 4.576 -7.209 7.443 1.00 0.00 C ATOM 0 H ALA A 117 5.259 -7.945 5.179 1.00 0.00 H new ATOM 0 HA ALA A 117 4.211 -9.342 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.115 -7.058 8.419 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.652 -7.333 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.380 -6.343 6.811 1.00 0.00 H new ATOM 1774 N HIS A 118 1.915 -8.054 5.487 1.00 0.00 N ATOM 1775 CA HIS A 118 0.460 -7.933 5.221 1.00 0.00 C ATOM 1776 C HIS A 118 -0.020 -8.889 4.091 1.00 0.00 C ATOM 1777 O HIS A 118 -1.185 -8.828 3.684 1.00 0.00 O ATOM 1778 CB HIS A 118 0.128 -6.460 4.881 1.00 0.00 C ATOM 1779 CG HIS A 118 0.540 -5.501 5.970 1.00 0.00 C ATOM 1780 ND1 HIS A 118 1.731 -4.803 5.950 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -0.053 -5.179 7.144 1.00 0.00 C ATOM 1782 CE1 HIS A 118 1.855 -4.112 7.057 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.789 -4.319 7.798 1.00 0.00 N ATOM 0 H HIS A 118 2.492 -7.890 4.662 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.077 -8.233 6.121 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.628 -6.185 3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.944 -6.365 4.706 1.00 0.00 H new ATOM 0 HD1 HIS A 118 2.411 -4.822 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -1.010 -5.534 7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 118 2.691 -3.480 7.316 1.00 0.00 H new ATOM 1792 N ALA A 119 0.875 -9.779 3.601 1.00 0.00 N ATOM 1793 CA ALA A 119 0.538 -10.793 2.566 1.00 0.00 C ATOM 1794 C ALA A 119 0.956 -12.225 3.019 1.00 0.00 C ATOM 1795 O ALA A 119 0.155 -12.938 3.641 1.00 0.00 O ATOM 1796 CB ALA A 119 1.161 -10.411 1.210 1.00 0.00 C ATOM 0 H ALA A 119 1.847 -9.817 3.908 1.00 0.00 H new ATOM 0 HA ALA A 119 -0.544 -10.806 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.903 -11.165 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.776 -9.442 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.245 -10.356 1.310 1.00 0.00 H new ATOM 1802 N LEU A 120 2.217 -12.635 2.725 1.00 0.00 N ATOM 1803 CA LEU A 120 2.765 -13.958 3.105 1.00 0.00 C ATOM 1804 C LEU A 120 4.320 -13.946 3.059 1.00 0.00 C ATOM 1805 O LEU A 120 4.901 -13.086 2.396 1.00 0.00 O ATOM 1806 CB LEU A 120 2.234 -15.074 2.158 1.00 0.00 C ATOM 1807 CG LEU A 120 2.635 -14.970 0.637 1.00 0.00 C ATOM 1808 CD1 LEU A 120 2.959 -16.355 0.035 1.00 0.00 C ATOM 1809 CD2 LEU A 120 1.542 -14.248 -0.187 1.00 0.00 C ATOM 0 H LEU A 120 2.882 -12.053 2.216 1.00 0.00 H new ATOM 0 HA LEU A 120 2.436 -14.167 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.584 -16.035 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.146 -15.084 2.222 1.00 0.00 H new ATOM 0 HG LEU A 120 3.543 -14.370 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.231 -16.241 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.791 -16.802 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.084 -17.000 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.850 -14.193 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.606 -14.801 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.399 -13.240 0.202 1.00 0.00 H new ATOM 1821 N PRO A 121 5.014 -14.907 3.765 1.00 0.00 N ATOM 1822 CA PRO A 121 6.500 -15.058 3.692 1.00 0.00 C ATOM 1823 C PRO A 121 7.042 -15.368 2.262 1.00 0.00 C ATOM 1824 O PRO A 121 6.344 -15.972 1.437 1.00 0.00 O ATOM 1825 CB PRO A 121 6.786 -16.251 4.654 1.00 0.00 C ATOM 1826 CG PRO A 121 5.597 -16.303 5.568 1.00 0.00 C ATOM 1827 CD PRO A 121 4.422 -15.890 4.713 1.00 0.00 C ATOM 0 HA PRO A 121 6.999 -14.127 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 121 6.902 -17.184 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.708 -16.095 5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 121 5.456 -17.305 5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.723 -15.630 6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 121 3.987 -16.741 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 121 3.627 -15.443 5.311 1.00 0.00 H new ATOM 1835 N VAL A 122 8.287 -14.934 1.984 1.00 0.00 N ATOM 1836 CA VAL A 122 8.990 -15.259 0.726 1.00 0.00 C ATOM 1837 C VAL A 122 9.415 -16.748 0.718 1.00 0.00 C ATOM 1838 O VAL A 122 10.095 -17.223 1.640 1.00 0.00 O ATOM 1839 CB VAL A 122 10.223 -14.294 0.478 1.00 0.00 C ATOM 1840 CG1 VAL A 122 11.239 -14.312 1.651 1.00 0.00 C ATOM 1841 CG2 VAL A 122 10.908 -14.584 -0.885 1.00 0.00 C ATOM 0 H VAL A 122 8.831 -14.352 2.620 1.00 0.00 H new ATOM 0 HA VAL A 122 8.299 -15.100 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 122 9.824 -13.281 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 122 12.063 -13.634 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 122 10.743 -13.992 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 122 11.626 -15.323 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 122 11.749 -13.904 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.267 -15.613 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.189 -14.439 -1.692 1.00 0.00 H new ATOM 1851 N LEU A 123 8.956 -17.489 -0.309 1.00 0.00 N ATOM 1852 CA LEU A 123 9.271 -18.923 -0.477 1.00 0.00 C ATOM 1853 C LEU A 123 10.693 -19.061 -1.085 1.00 0.00 C ATOM 1854 O LEU A 123 10.875 -19.396 -2.258 1.00 0.00 O ATOM 1855 CB LEU A 123 8.169 -19.624 -1.340 1.00 0.00 C ATOM 1856 CG LEU A 123 7.806 -21.110 -0.964 1.00 0.00 C ATOM 1857 CD1 LEU A 123 6.606 -21.610 -1.795 1.00 0.00 C ATOM 1858 CD2 LEU A 123 9.016 -22.069 -1.104 1.00 0.00 C ATOM 0 H LEU A 123 8.358 -17.113 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 123 9.272 -19.428 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 123 7.259 -19.027 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.492 -19.607 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 123 7.523 -21.111 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 123 6.374 -22.638 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.740 -20.978 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.855 -21.568 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.712 -23.080 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.370 -22.060 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.818 -21.742 -0.442 1.00 0.00 H new ATOM 1870 N GLU A 124 11.685 -18.753 -0.249 1.00 0.00 N ATOM 1871 CA GLU A 124 13.112 -18.723 -0.619 1.00 0.00 C ATOM 1872 C GLU A 124 13.966 -19.264 0.542 1.00 0.00 C ATOM 1873 O GLU A 124 14.052 -18.637 1.611 1.00 0.00 O ATOM 1874 CB GLU A 124 13.553 -17.276 -0.997 1.00 0.00 C ATOM 1875 CG GLU A 124 15.075 -17.068 -1.227 1.00 0.00 C ATOM 1876 CD GLU A 124 15.687 -18.028 -2.264 1.00 0.00 C ATOM 1877 OE1 GLU A 124 15.557 -17.755 -3.479 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.292 -19.062 -1.873 1.00 0.00 O ATOM 0 H GLU A 124 11.521 -18.511 0.728 1.00 0.00 H new ATOM 0 HA GLU A 124 13.261 -19.359 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 124 13.025 -16.981 -1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 124 13.229 -16.600 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.246 -16.042 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.596 -17.194 -0.278 1.00 0.00 H new ATOM 1885 N HIS A 125 14.591 -20.429 0.300 1.00 0.00 N ATOM 1886 CA HIS A 125 15.483 -21.108 1.261 1.00 0.00 C ATOM 1887 C HIS A 125 16.229 -22.287 0.560 1.00 0.00 C ATOM 1888 O HIS A 125 16.767 -23.176 1.231 1.00 0.00 O ATOM 1889 CB HIS A 125 14.646 -21.596 2.494 1.00 0.00 C ATOM 1890 CG HIS A 125 15.460 -21.992 3.699 1.00 0.00 C ATOM 1891 ND1 HIS A 125 15.725 -23.304 4.022 1.00 0.00 N ATOM 1892 CD2 HIS A 125 16.068 -21.247 4.656 1.00 0.00 C ATOM 1893 CE1 HIS A 125 16.452 -23.352 5.112 1.00 0.00 C ATOM 1894 NE2 HIS A 125 16.675 -22.123 5.519 1.00 0.00 N ATOM 0 H HIS A 125 14.491 -20.934 -0.580 1.00 0.00 H new ATOM 0 HA HIS A 125 16.241 -20.412 1.621 1.00 0.00 H new ATOM 0 HB2 HIS A 125 13.958 -20.802 2.784 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.039 -22.448 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 125 16.073 -20.169 4.725 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.808 -24.251 5.594 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.214 -21.862 6.345 1.00 0.00 H new ATOM 1903 N HIS A 126 16.312 -22.264 -0.802 1.00 0.00 N ATOM 1904 CA HIS A 126 16.832 -23.418 -1.588 1.00 0.00 C ATOM 1905 C HIS A 126 18.388 -23.515 -1.514 1.00 0.00 C ATOM 1906 O HIS A 126 19.123 -23.060 -2.397 1.00 0.00 O ATOM 1907 CB HIS A 126 16.271 -23.417 -3.057 1.00 0.00 C ATOM 1908 CG HIS A 126 16.719 -22.297 -3.981 1.00 0.00 C ATOM 1909 ND1 HIS A 126 16.113 -21.058 -4.043 1.00 0.00 N ATOM 1910 CD2 HIS A 126 17.702 -22.261 -4.919 1.00 0.00 C ATOM 1911 CE1 HIS A 126 16.701 -20.325 -4.971 1.00 0.00 C ATOM 1912 NE2 HIS A 126 17.666 -21.030 -5.509 1.00 0.00 N ATOM 0 H HIS A 126 16.028 -21.467 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 126 16.459 -24.333 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 126 16.544 -24.365 -3.521 1.00 0.00 H new ATOM 0 HB3 HIS A 126 15.183 -23.391 -3.001 1.00 0.00 H new ATOM 0 HD2 HIS A 126 18.388 -23.061 -5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 126 16.432 -19.315 -5.241 1.00 0.00 H new ATOM 0 HE2 HIS A 126 18.290 -20.710 -6.250 1.00 0.00 H new ATOM 1921 N HIS A 127 18.881 -24.070 -0.389 1.00 0.00 N ATOM 1922 CA HIS A 127 20.330 -24.217 -0.115 1.00 0.00 C ATOM 1923 C HIS A 127 20.619 -25.580 0.556 1.00 0.00 C ATOM 1924 O HIS A 127 20.316 -25.776 1.735 1.00 0.00 O ATOM 1925 CB HIS A 127 20.848 -23.063 0.791 1.00 0.00 C ATOM 1926 CG HIS A 127 20.659 -21.682 0.218 1.00 0.00 C ATOM 1927 ND1 HIS A 127 19.692 -20.810 0.667 1.00 0.00 N ATOM 1928 CD2 HIS A 127 21.302 -21.035 -0.788 1.00 0.00 C ATOM 1929 CE1 HIS A 127 19.742 -19.698 -0.033 1.00 0.00 C ATOM 1930 NE2 HIS A 127 20.706 -19.806 -0.919 1.00 0.00 N ATOM 0 H HIS A 127 18.287 -24.430 0.358 1.00 0.00 H new ATOM 0 HA HIS A 127 20.855 -24.171 -1.069 1.00 0.00 H new ATOM 0 HB2 HIS A 127 20.337 -23.116 1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 127 21.909 -23.219 0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 127 22.126 -21.415 -1.374 1.00 0.00 H new ATOM 0 HE1 HIS A 127 19.099 -18.840 0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 127 20.969 -19.090 -1.596 1.00 0.00 H new ATOM 1939 N HIS A 128 21.167 -26.529 -0.222 1.00 0.00 N ATOM 1940 CA HIS A 128 21.656 -27.833 0.289 1.00 0.00 C ATOM 1941 C HIS A 128 23.119 -28.039 -0.165 1.00 0.00 C ATOM 1942 O HIS A 128 23.381 -28.632 -1.222 1.00 0.00 O ATOM 1943 CB HIS A 128 20.757 -29.006 -0.195 1.00 0.00 C ATOM 1944 CG HIS A 128 19.322 -28.930 0.250 1.00 0.00 C ATOM 1945 ND1 HIS A 128 18.836 -29.625 1.332 1.00 0.00 N ATOM 1946 CD2 HIS A 128 18.264 -28.249 -0.254 1.00 0.00 C ATOM 1947 CE1 HIS A 128 17.557 -29.376 1.476 1.00 0.00 C ATOM 1948 NE2 HIS A 128 17.179 -28.548 0.528 1.00 0.00 N ATOM 0 H HIS A 128 21.286 -26.418 -1.229 1.00 0.00 H new ATOM 0 HA HIS A 128 21.611 -27.823 1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 128 20.783 -29.039 -1.284 1.00 0.00 H new ATOM 0 HB3 HIS A 128 21.184 -29.943 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 128 18.274 -27.593 -1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 128 16.919 -29.784 2.246 1.00 0.00 H new ATOM 0 HE2 HIS A 128 16.234 -28.187 0.396 1.00 0.00 H new ATOM 1957 N HIS A 129 24.062 -27.492 0.622 1.00 0.00 N ATOM 1958 CA HIS A 129 25.510 -27.569 0.326 1.00 0.00 C ATOM 1959 C HIS A 129 26.330 -27.413 1.626 1.00 0.00 C ATOM 1960 O HIS A 129 26.088 -26.492 2.411 1.00 0.00 O ATOM 1961 CB HIS A 129 25.911 -26.472 -0.705 1.00 0.00 C ATOM 1962 CG HIS A 129 27.337 -26.564 -1.192 1.00 0.00 C ATOM 1963 ND1 HIS A 129 27.738 -27.436 -2.181 1.00 0.00 N ATOM 1964 CD2 HIS A 129 28.459 -25.901 -0.812 1.00 0.00 C ATOM 1965 CE1 HIS A 129 29.033 -27.311 -2.384 1.00 0.00 C ATOM 1966 NE2 HIS A 129 29.494 -26.388 -1.570 1.00 0.00 N ATOM 0 H HIS A 129 23.846 -26.984 1.480 1.00 0.00 H new ATOM 0 HA HIS A 129 25.727 -28.546 -0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 129 25.242 -26.536 -1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 129 25.757 -25.492 -0.253 1.00 0.00 H new ATOM 0 HD2 HIS A 129 28.525 -25.134 -0.055 1.00 0.00 H new ATOM 0 HE1 HIS A 129 29.617 -27.872 -3.098 1.00 0.00 H new ATOM 0 HE2 HIS A 129 30.465 -26.083 -1.511 1.00 0.00 H new ATOM 1975 N HIS A 130 27.292 -28.327 1.851 1.00 0.00 N ATOM 1976 CA HIS A 130 28.265 -28.234 2.968 1.00 0.00 C ATOM 1977 C HIS A 130 29.717 -28.291 2.398 1.00 0.00 C ATOM 1978 O HIS A 130 30.323 -27.220 2.164 1.00 0.00 O ATOM 1979 CB HIS A 130 28.011 -29.367 4.005 1.00 0.00 C ATOM 1980 CG HIS A 130 28.889 -29.279 5.227 1.00 0.00 C ATOM 1981 ND1 HIS A 130 30.192 -29.727 5.247 1.00 0.00 N ATOM 1982 CD2 HIS A 130 28.658 -28.766 6.457 1.00 0.00 C ATOM 1983 CE1 HIS A 130 30.723 -29.489 6.425 1.00 0.00 C ATOM 1984 NE2 HIS A 130 29.816 -28.908 7.181 1.00 0.00 N ATOM 1985 OXT HIS A 130 30.231 -29.407 2.159 1.00 0.00 O ATOM 0 H HIS A 130 27.421 -29.153 1.266 1.00 0.00 H new ATOM 0 HA HIS A 130 28.137 -27.284 3.487 1.00 0.00 H new ATOM 0 HB2 HIS A 130 26.967 -29.335 4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 130 28.171 -30.331 3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 130 27.735 -28.327 6.805 1.00 0.00 H new ATOM 0 HE1 HIS A 130 31.733 -29.729 6.723 1.00 0.00 H new ATOM 0 HE2 HIS A 130 29.951 -28.611 8.148 1.00 0.00 H new TER 1994 HIS A 130