USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 952 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 133 GLN :FLIP amide:sc= -1.27 F(o=-4,f=-0.3) USER MOD Set 1.2: A 137 THR OG1 : rot -80:sc= 0.971 USER MOD Set 2.1: A 131 ASN :FLIP amide:sc= -0.518 F(o=-3.4!,f=0.65) USER MOD Set 2.2: A 134 SER OG : rot -3:sc= 1.06 USER MOD Set 2.3: A 135 THR OG1 : rot 180:sc= 0.105 USER MOD Set 3.1: A 46 HIS : no HD1:sc= -3.41 K(o=-10,f=-15!) USER MOD Set 3.2: A 48 HIS : no HE2:sc= -0.439 K(o=-10,f=-11) USER MOD Set 3.3: A 63 HIS : no HE2:sc= -3 K(o=-10,f=-13!) USER MOD Set 3.4: A 71 HIS : no HD1:sc= -0.746 K(o=-10,f=-18!) USER MOD Set 3.5: A 80 HIS : no HD1:sc= -2.73 K(o=-10,f=-11) USER MOD Set 3.6: A 120 HIS :FLIP no HE2:sc= -0.0882 F(o=-11,f=-10) USER MOD Set 4.1: A 39 THR OG1 : rot 90:sc= 0.361 USER MOD Set 4.2: A 43 HIS : +bothHN:sc= -1.5! C(o=-1.1!,f=-8.5!) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 1.17 (180deg=0.902) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= 0.738 F(o=-0.047,f=0.74) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 38:sc= 0.864 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.175 K(o=0.17,f=-2.1!) USER MOD Single : A 68 SER OG : rot -49:sc= 0.674 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0.205 (180deg=0.0152) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.198 F(o=-0.99!,f=-0.2) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 91 LYS NZ :NH3+ 143:sc= 0.667 (180deg=-0.868) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc=0.000946 USER MOD Single : A 105 SER OG : rot 180:sc=-0.00267 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -168:sc= 1.19 (180deg=0.878) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -134:sc= 1.12 (180deg=-0.841!) USER MOD Single : A 139 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.22) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.00024) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 12.493 7.542 10.156 1.00 0.00 N ATOM 28 CA LYS A 3 11.730 6.327 10.390 1.00 0.00 C ATOM 29 C LYS A 3 10.254 6.690 10.521 1.00 0.00 C ATOM 30 O LYS A 3 9.879 7.462 11.407 1.00 0.00 O ATOM 31 CB LYS A 3 12.205 5.589 11.651 1.00 0.00 C ATOM 32 CG LYS A 3 13.174 4.447 11.344 1.00 0.00 C ATOM 33 CD LYS A 3 14.599 4.976 11.132 1.00 0.00 C ATOM 34 CE LYS A 3 15.551 4.619 12.285 1.00 0.00 C ATOM 35 NZ LYS A 3 16.706 3.839 11.793 1.00 0.00 N ATOM 0 HA LYS A 3 11.881 5.655 9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.690 6.300 12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.339 5.191 12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.167 3.729 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.843 3.915 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.996 4.570 10.202 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.565 6.060 11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.902 5.531 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.015 4.045 13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.214 3.424 12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.371 3.079 11.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.348 4.464 11.265 1.00 0.00 H new ATOM 49 N ALA A 4 9.424 6.104 9.664 1.00 0.00 N ATOM 50 CA ALA A 4 7.983 6.254 9.707 1.00 0.00 C ATOM 51 C ALA A 4 7.339 4.889 9.909 1.00 0.00 C ATOM 52 O ALA A 4 7.942 3.861 9.598 1.00 0.00 O ATOM 53 CB ALA A 4 7.521 6.961 8.438 1.00 0.00 C ATOM 0 H ALA A 4 9.746 5.501 8.907 1.00 0.00 H new ATOM 0 HA ALA A 4 7.673 6.873 10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.438 7.079 8.461 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.991 7.942 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.803 6.368 7.568 1.00 0.00 H new ATOM 59 N VAL A 5 6.129 4.880 10.461 1.00 0.00 N ATOM 60 CA VAL A 5 5.350 3.692 10.752 1.00 0.00 C ATOM 61 C VAL A 5 3.926 3.980 10.294 1.00 0.00 C ATOM 62 O VAL A 5 3.527 5.147 10.271 1.00 0.00 O ATOM 63 CB VAL A 5 5.441 3.372 12.259 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.562 4.294 13.116 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.096 1.914 12.570 1.00 0.00 C ATOM 0 H VAL A 5 5.649 5.740 10.727 1.00 0.00 H new ATOM 0 HA VAL A 5 5.722 2.811 10.229 1.00 0.00 H new ATOM 0 HB VAL A 5 6.484 3.548 12.521 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.666 4.023 14.167 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.875 5.329 12.976 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.520 4.186 12.815 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.176 1.742 13.643 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.078 1.703 12.243 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.789 1.256 12.045 1.00 0.00 H new ATOM 75 N ALA A 6 3.149 2.958 9.931 1.00 0.00 N ATOM 76 CA ALA A 6 1.733 3.165 9.672 1.00 0.00 C ATOM 77 C ALA A 6 0.941 1.965 10.176 1.00 0.00 C ATOM 78 O ALA A 6 1.077 0.867 9.644 1.00 0.00 O ATOM 79 CB ALA A 6 1.513 3.429 8.186 1.00 0.00 C ATOM 0 H ALA A 6 3.473 1.998 9.813 1.00 0.00 H new ATOM 0 HA ALA A 6 1.374 4.042 10.211 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.451 3.583 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.067 4.319 7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.863 2.573 7.609 1.00 0.00 H new ATOM 85 N VAL A 7 0.148 2.162 11.230 1.00 0.00 N ATOM 86 CA VAL A 7 -0.625 1.110 11.857 1.00 0.00 C ATOM 87 C VAL A 7 -1.988 0.947 11.168 1.00 0.00 C ATOM 88 O VAL A 7 -2.957 1.630 11.489 1.00 0.00 O ATOM 89 CB VAL A 7 -0.724 1.367 13.366 1.00 0.00 C ATOM 90 CG1 VAL A 7 0.645 1.172 14.034 1.00 0.00 C ATOM 91 CG2 VAL A 7 -1.271 2.755 13.745 1.00 0.00 C ATOM 0 H VAL A 7 0.029 3.073 11.672 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.117 0.153 11.733 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.447 0.637 13.730 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.557 1.358 15.104 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.988 0.150 13.870 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.363 1.869 13.602 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.306 2.848 14.830 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.620 3.527 13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.275 2.874 13.338 1.00 0.00 H new ATOM 101 N LEU A 8 -2.067 0.018 10.218 1.00 0.00 N ATOM 102 CA LEU A 8 -3.306 -0.438 9.620 1.00 0.00 C ATOM 103 C LEU A 8 -4.220 -0.976 10.716 1.00 0.00 C ATOM 104 O LEU A 8 -3.745 -1.706 11.588 1.00 0.00 O ATOM 105 CB LEU A 8 -2.997 -1.524 8.570 1.00 0.00 C ATOM 106 CG LEU A 8 -2.734 -0.910 7.189 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.601 0.105 7.278 1.00 0.00 C ATOM 108 CD2 LEU A 8 -2.354 -2.010 6.199 1.00 0.00 C ATOM 0 H LEU A 8 -1.244 -0.448 9.837 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.813 0.387 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.127 -2.100 8.885 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.834 -2.220 8.507 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.639 -0.409 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.421 0.536 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.875 0.896 7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.696 -0.390 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.168 -1.570 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.453 -2.517 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.169 -2.730 6.124 1.00 0.00 H new ATOM 120 N LYS A 9 -5.514 -0.642 10.654 1.00 0.00 N ATOM 121 CA LYS A 9 -6.558 -1.258 11.460 1.00 0.00 C ATOM 122 C LYS A 9 -7.875 -1.164 10.687 1.00 0.00 C ATOM 123 O LYS A 9 -7.961 -0.399 9.729 1.00 0.00 O ATOM 124 CB LYS A 9 -6.626 -0.595 12.845 1.00 0.00 C ATOM 125 CG LYS A 9 -6.810 -1.659 13.936 1.00 0.00 C ATOM 126 CD LYS A 9 -6.642 -1.053 15.334 1.00 0.00 C ATOM 127 CE LYS A 9 -6.357 -2.170 16.351 1.00 0.00 C ATOM 128 NZ LYS A 9 -6.105 -1.637 17.705 1.00 0.00 N ATOM 0 H LYS A 9 -5.866 0.081 10.026 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.342 -2.311 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.713 -0.029 13.030 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.453 0.114 12.876 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.800 -2.107 13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.084 -2.459 13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.825 -0.332 15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.545 -0.511 15.617 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.204 -2.855 16.383 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.493 -2.747 16.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.917 -2.424 18.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.281 -1.003 17.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.939 -1.108 18.031 1.00 0.00 H new ATOM 142 N GLY A 10 -8.890 -1.945 11.054 1.00 0.00 N ATOM 143 CA GLY A 10 -10.181 -1.904 10.395 1.00 0.00 C ATOM 144 C GLY A 10 -11.265 -2.275 11.392 1.00 0.00 C ATOM 145 O GLY A 10 -11.018 -2.303 12.597 1.00 0.00 O ATOM 0 H GLY A 10 -8.834 -2.621 11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.366 -0.908 9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.194 -2.595 9.552 1.00 0.00 H new ATOM 149 N ASP A 11 -12.459 -2.564 10.873 1.00 0.00 N ATOM 150 CA ASP A 11 -13.612 -2.920 11.686 1.00 0.00 C ATOM 151 C ASP A 11 -13.366 -4.247 12.410 1.00 0.00 C ATOM 152 O ASP A 11 -13.768 -4.432 13.556 1.00 0.00 O ATOM 153 CB ASP A 11 -14.854 -2.996 10.784 1.00 0.00 C ATOM 154 CG ASP A 11 -16.099 -2.560 11.539 1.00 0.00 C ATOM 155 OD1 ASP A 11 -16.256 -1.329 11.690 1.00 0.00 O ATOM 156 OD2 ASP A 11 -16.873 -3.457 11.935 1.00 0.00 O ATOM 0 H ASP A 11 -12.650 -2.556 9.871 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.776 -2.159 12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.713 -2.361 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.983 -4.015 10.420 1.00 0.00 H new ATOM 161 N GLY A 12 -12.680 -5.171 11.727 1.00 0.00 N ATOM 162 CA GLY A 12 -12.311 -6.467 12.246 1.00 0.00 C ATOM 163 C GLY A 12 -10.855 -6.437 12.709 1.00 0.00 C ATOM 164 O GLY A 12 -10.256 -5.371 12.844 1.00 0.00 O ATOM 0 H GLY A 12 -12.363 -5.020 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.962 -6.736 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.443 -7.229 11.478 1.00 0.00 H new ATOM 168 N PRO A 13 -10.261 -7.614 12.932 1.00 0.00 N ATOM 169 CA PRO A 13 -8.946 -7.729 13.529 1.00 0.00 C ATOM 170 C PRO A 13 -7.837 -7.357 12.546 1.00 0.00 C ATOM 171 O PRO A 13 -6.715 -7.132 12.989 1.00 0.00 O ATOM 172 CB PRO A 13 -8.844 -9.178 14.008 1.00 0.00 C ATOM 173 CG PRO A 13 -9.776 -9.939 13.063 1.00 0.00 C ATOM 174 CD PRO A 13 -10.849 -8.914 12.682 1.00 0.00 C ATOM 0 HA PRO A 13 -8.817 -7.032 14.357 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.821 -9.549 13.946 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.158 -9.279 15.047 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.242 -10.301 12.184 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.213 -10.810 13.552 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.135 -9.019 11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.752 -9.055 13.275 1.00 0.00 H new ATOM 182 N VAL A 14 -8.142 -7.285 11.241 1.00 0.00 N ATOM 183 CA VAL A 14 -7.233 -6.827 10.200 1.00 0.00 C ATOM 184 C VAL A 14 -6.442 -5.602 10.660 1.00 0.00 C ATOM 185 O VAL A 14 -6.954 -4.484 10.647 1.00 0.00 O ATOM 186 CB VAL A 14 -7.995 -6.599 8.876 1.00 0.00 C ATOM 187 CG1 VAL A 14 -9.119 -5.555 8.934 1.00 0.00 C ATOM 188 CG2 VAL A 14 -6.984 -6.301 7.763 1.00 0.00 C ATOM 0 H VAL A 14 -9.057 -7.554 10.879 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.496 -7.606 10.005 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.530 -7.524 8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.589 -5.472 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.863 -5.862 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.704 -4.589 9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.514 -6.139 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.415 -5.407 8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.303 -7.145 7.654 1.00 0.00 H new ATOM 198 N GLN A 15 -5.189 -5.815 11.071 1.00 0.00 N ATOM 199 CA GLN A 15 -4.325 -4.740 11.530 1.00 0.00 C ATOM 200 C GLN A 15 -2.919 -4.979 11.009 1.00 0.00 C ATOM 201 O GLN A 15 -2.585 -6.121 10.721 1.00 0.00 O ATOM 202 CB GLN A 15 -4.368 -4.655 13.063 1.00 0.00 C ATOM 203 CG GLN A 15 -3.577 -5.788 13.734 1.00 0.00 C ATOM 204 CD GLN A 15 -4.041 -6.033 15.167 1.00 0.00 C ATOM 205 OE1 GLN A 15 -4.534 -7.100 15.508 1.00 0.00 O ATOM 206 NE2 GLN A 15 -3.864 -5.046 16.041 1.00 0.00 N ATOM 0 H GLN A 15 -4.752 -6.737 11.093 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.671 -3.781 11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.964 -3.694 13.383 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.405 -4.692 13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.691 -6.704 13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.516 -5.540 13.733 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.451 -4.164 15.738 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.141 -5.171 17.015 1.00 0.00 H new ATOM 215 N GLY A 16 -2.089 -3.948 10.881 1.00 0.00 N ATOM 216 CA GLY A 16 -0.727 -4.157 10.398 1.00 0.00 C ATOM 217 C GLY A 16 0.193 -2.981 10.656 1.00 0.00 C ATOM 218 O GLY A 16 -0.103 -1.864 10.259 1.00 0.00 O ATOM 0 H GLY A 16 -2.327 -2.980 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.312 -5.044 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.756 -4.357 9.327 1.00 0.00 H new ATOM 222 N ILE A 17 1.336 -3.237 11.283 1.00 0.00 N ATOM 223 CA ILE A 17 2.344 -2.224 11.511 1.00 0.00 C ATOM 224 C ILE A 17 3.234 -2.166 10.267 1.00 0.00 C ATOM 225 O ILE A 17 4.098 -3.021 10.086 1.00 0.00 O ATOM 226 CB ILE A 17 3.108 -2.550 12.808 1.00 0.00 C ATOM 227 CG1 ILE A 17 2.139 -2.669 14.005 1.00 0.00 C ATOM 228 CG2 ILE A 17 4.123 -1.441 13.098 1.00 0.00 C ATOM 229 CD1 ILE A 17 1.908 -4.124 14.423 1.00 0.00 C ATOM 0 H ILE A 17 1.584 -4.157 11.646 1.00 0.00 H new ATOM 0 HA ILE A 17 1.912 -1.234 11.656 1.00 0.00 H new ATOM 0 HB ILE A 17 3.619 -3.503 12.672 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.539 -2.110 14.851 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.184 -2.212 13.744 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.663 -1.673 14.016 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.829 -1.368 12.270 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.601 -0.491 13.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.220 -4.155 15.268 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.482 -4.679 13.587 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.858 -4.575 14.712 1.00 0.00 H new ATOM 241 N ILE A 18 3.006 -1.184 9.392 1.00 0.00 N ATOM 242 CA ILE A 18 3.913 -0.874 8.292 1.00 0.00 C ATOM 243 C ILE A 18 5.064 -0.062 8.864 1.00 0.00 C ATOM 244 O ILE A 18 4.856 0.707 9.799 1.00 0.00 O ATOM 245 CB ILE A 18 3.188 -0.085 7.188 1.00 0.00 C ATOM 246 CG1 ILE A 18 1.895 -0.778 6.743 1.00 0.00 C ATOM 247 CG2 ILE A 18 4.071 0.196 5.963 1.00 0.00 C ATOM 248 CD1 ILE A 18 2.115 -2.228 6.332 1.00 0.00 C ATOM 0 H ILE A 18 2.184 -0.581 9.429 1.00 0.00 H new ATOM 0 HA ILE A 18 4.283 -1.793 7.838 1.00 0.00 H new ATOM 0 HB ILE A 18 2.939 0.874 7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.170 -0.741 7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.463 -0.229 5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.499 0.755 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.940 0.780 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.402 -0.747 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.165 -2.668 6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.818 -2.268 5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.520 -2.788 7.175 1.00 0.00 H new ATOM 260 N ASN A 19 6.253 -0.220 8.290 1.00 0.00 N ATOM 261 CA ASN A 19 7.478 0.474 8.623 1.00 0.00 C ATOM 262 C ASN A 19 8.032 1.048 7.322 1.00 0.00 C ATOM 263 O ASN A 19 7.971 0.396 6.278 1.00 0.00 O ATOM 264 CB ASN A 19 8.504 -0.503 9.202 1.00 0.00 C ATOM 265 CG ASN A 19 7.943 -1.417 10.289 1.00 0.00 C ATOM 266 OD1 ASN A 19 7.676 -0.880 11.475 1.00 0.00 O flip ATOM 267 ND2 ASN A 19 7.765 -2.612 10.078 1.00 0.00 N flip ATOM 0 H ASN A 19 6.388 -0.884 7.528 1.00 0.00 H new ATOM 0 HA ASN A 19 7.282 1.252 9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.902 -1.117 8.394 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.339 0.064 9.613 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.976 -3.005 9.161 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.406 -3.213 10.820 1.00 0.00 H new ATOM 274 N PHE A 20 8.567 2.261 7.404 1.00 0.00 N ATOM 275 CA PHE A 20 9.175 3.001 6.315 1.00 0.00 C ATOM 276 C PHE A 20 10.532 3.534 6.788 1.00 0.00 C ATOM 277 O PHE A 20 10.564 4.305 7.748 1.00 0.00 O ATOM 278 CB PHE A 20 8.244 4.168 5.976 1.00 0.00 C ATOM 279 CG PHE A 20 7.097 3.845 5.042 1.00 0.00 C ATOM 280 CD1 PHE A 20 7.267 4.056 3.668 1.00 0.00 C ATOM 281 CD2 PHE A 20 5.831 3.486 5.540 1.00 0.00 C ATOM 282 CE1 PHE A 20 6.186 3.911 2.782 1.00 0.00 C ATOM 283 CE2 PHE A 20 4.744 3.341 4.657 1.00 0.00 C ATOM 284 CZ PHE A 20 4.924 3.542 3.277 1.00 0.00 C ATOM 0 H PHE A 20 8.587 2.779 8.282 1.00 0.00 H new ATOM 0 HA PHE A 20 9.324 2.373 5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.832 4.561 6.905 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.839 4.965 5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 20 8.238 4.333 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.693 3.322 6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.325 4.083 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.770 3.075 5.040 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.094 3.413 2.599 1.00 0.00 H new ATOM 294 N GLU A 21 11.627 3.159 6.111 1.00 0.00 N ATOM 295 CA GLU A 21 12.942 3.787 6.261 1.00 0.00 C ATOM 296 C GLU A 21 13.351 4.485 4.961 1.00 0.00 C ATOM 297 O GLU A 21 12.975 4.057 3.873 1.00 0.00 O ATOM 298 CB GLU A 21 14.021 2.760 6.666 1.00 0.00 C ATOM 299 CG GLU A 21 14.172 2.656 8.188 1.00 0.00 C ATOM 300 CD GLU A 21 15.503 2.042 8.629 1.00 0.00 C ATOM 301 OE1 GLU A 21 16.056 1.240 7.850 1.00 0.00 O ATOM 302 OE2 GLU A 21 15.968 2.420 9.732 1.00 0.00 O ATOM 0 H GLU A 21 11.620 2.397 5.433 1.00 0.00 H new ATOM 0 HA GLU A 21 12.863 4.526 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.762 1.782 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.976 3.045 6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.078 3.651 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.354 2.055 8.586 1.00 0.00 H new ATOM 395 N PRO A 28 15.978 5.762 -2.345 1.00 0.00 N ATOM 396 CA PRO A 28 14.644 5.193 -2.312 1.00 0.00 C ATOM 397 C PRO A 28 14.155 5.001 -0.877 1.00 0.00 C ATOM 398 O PRO A 28 14.943 4.795 0.044 1.00 0.00 O ATOM 399 CB PRO A 28 14.744 3.871 -3.078 1.00 0.00 C ATOM 400 CG PRO A 28 16.206 3.467 -2.897 1.00 0.00 C ATOM 401 CD PRO A 28 16.938 4.810 -2.879 1.00 0.00 C ATOM 0 HA PRO A 28 13.909 5.853 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.066 3.120 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.489 3.996 -4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 28 16.359 2.912 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 28 16.552 2.830 -3.711 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.832 4.762 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.260 5.096 -3.880 1.00 0.00 H new ATOM 409 N VAL A 29 12.835 5.061 -0.703 1.00 0.00 N ATOM 410 CA VAL A 29 12.162 4.670 0.521 1.00 0.00 C ATOM 411 C VAL A 29 12.106 3.146 0.497 1.00 0.00 C ATOM 412 O VAL A 29 11.692 2.586 -0.512 1.00 0.00 O ATOM 413 CB VAL A 29 10.760 5.321 0.554 1.00 0.00 C ATOM 414 CG1 VAL A 29 9.636 4.366 0.980 1.00 0.00 C ATOM 415 CG2 VAL A 29 10.732 6.529 1.491 1.00 0.00 C ATOM 0 H VAL A 29 12.197 5.390 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 29 12.678 5.002 1.422 1.00 0.00 H new ATOM 0 HB VAL A 29 10.574 5.621 -0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.685 4.899 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.585 3.530 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.839 3.990 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.733 6.965 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.991 6.212 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.452 7.272 1.148 1.00 0.00 H new ATOM 425 N LYS A 30 12.497 2.499 1.596 1.00 0.00 N ATOM 426 CA LYS A 30 12.285 1.088 1.874 1.00 0.00 C ATOM 427 C LYS A 30 11.028 1.000 2.734 1.00 0.00 C ATOM 428 O LYS A 30 10.976 1.605 3.804 1.00 0.00 O ATOM 429 CB LYS A 30 13.510 0.512 2.615 1.00 0.00 C ATOM 430 CG LYS A 30 14.247 -0.559 1.801 1.00 0.00 C ATOM 431 CD LYS A 30 13.418 -1.855 1.743 1.00 0.00 C ATOM 432 CE LYS A 30 13.875 -2.803 0.624 1.00 0.00 C ATOM 433 NZ LYS A 30 15.176 -3.431 0.913 1.00 0.00 N ATOM 0 H LYS A 30 12.994 2.973 2.350 1.00 0.00 H new ATOM 0 HA LYS A 30 12.161 0.509 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.200 1.322 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.187 0.083 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.433 -0.193 0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.219 -0.762 2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.489 -2.370 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.368 -1.603 1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.124 -3.580 0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.943 -2.249 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.439 -4.061 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.901 -2.693 1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.107 -3.983 1.792 1.00 0.00 H new ATOM 447 N VAL A 31 10.023 0.267 2.255 1.00 0.00 N ATOM 448 CA VAL A 31 8.723 0.115 2.883 1.00 0.00 C ATOM 449 C VAL A 31 8.514 -1.375 3.132 1.00 0.00 C ATOM 450 O VAL A 31 8.832 -2.206 2.284 1.00 0.00 O ATOM 451 CB VAL A 31 7.641 0.734 1.982 1.00 0.00 C ATOM 452 CG1 VAL A 31 7.904 0.483 0.500 1.00 0.00 C ATOM 453 CG2 VAL A 31 6.238 0.207 2.295 1.00 0.00 C ATOM 0 H VAL A 31 10.102 -0.256 1.383 1.00 0.00 H new ATOM 0 HA VAL A 31 8.662 0.639 3.837 1.00 0.00 H new ATOM 0 HB VAL A 31 7.689 1.802 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.112 0.940 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.863 0.919 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.925 -0.590 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.515 0.678 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.214 -0.873 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.984 0.440 3.329 1.00 0.00 H new ATOM 463 N TRP A 32 7.983 -1.732 4.293 1.00 0.00 N ATOM 464 CA TRP A 32 7.748 -3.117 4.649 1.00 0.00 C ATOM 465 C TRP A 32 6.688 -3.141 5.737 1.00 0.00 C ATOM 466 O TRP A 32 6.362 -2.095 6.283 1.00 0.00 O ATOM 467 CB TRP A 32 9.062 -3.799 5.071 1.00 0.00 C ATOM 468 CG TRP A 32 9.649 -3.428 6.394 1.00 0.00 C ATOM 469 CD1 TRP A 32 9.274 -3.951 7.582 1.00 0.00 C ATOM 470 CD2 TRP A 32 10.773 -2.544 6.681 1.00 0.00 C ATOM 471 NE1 TRP A 32 10.083 -3.456 8.580 1.00 0.00 N ATOM 472 CE2 TRP A 32 11.036 -2.592 8.083 1.00 0.00 C ATOM 473 CE3 TRP A 32 11.605 -1.715 5.900 1.00 0.00 C ATOM 474 CZ2 TRP A 32 12.059 -1.844 8.683 1.00 0.00 C ATOM 475 CZ3 TRP A 32 12.658 -0.988 6.487 1.00 0.00 C ATOM 476 CH2 TRP A 32 12.879 -1.041 7.874 1.00 0.00 C ATOM 0 H TRP A 32 7.704 -1.066 5.013 1.00 0.00 H new ATOM 0 HA TRP A 32 7.383 -3.687 3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.895 -4.876 5.070 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.808 -3.591 4.304 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.464 -4.650 7.727 1.00 0.00 H new ATOM 0 HE1 TRP A 32 9.989 -3.699 9.566 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.432 -1.637 4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.214 -1.885 9.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.302 -0.384 5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 32 13.678 -0.465 8.317 1.00 0.00 H new ATOM 487 N GLY A 33 6.119 -4.298 6.050 1.00 0.00 N ATOM 488 CA GLY A 33 5.116 -4.369 7.106 1.00 0.00 C ATOM 489 C GLY A 33 4.659 -5.796 7.297 1.00 0.00 C ATOM 490 O GLY A 33 5.217 -6.679 6.654 1.00 0.00 O ATOM 0 H GLY A 33 6.330 -5.187 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.531 -3.985 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.265 -3.738 6.852 1.00 0.00 H new ATOM 494 N SER A 34 3.644 -6.019 8.138 1.00 0.00 N ATOM 495 CA SER A 34 3.186 -7.356 8.462 1.00 0.00 C ATOM 496 C SER A 34 1.754 -7.233 8.961 1.00 0.00 C ATOM 497 O SER A 34 1.538 -6.947 10.142 1.00 0.00 O ATOM 498 CB SER A 34 4.122 -8.013 9.487 1.00 0.00 C ATOM 499 OG SER A 34 4.157 -7.268 10.694 1.00 0.00 O ATOM 0 H SER A 34 3.125 -5.276 8.606 1.00 0.00 H new ATOM 0 HA SER A 34 3.204 -8.007 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.786 -9.029 9.692 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.127 -8.087 9.072 1.00 0.00 H new ATOM 0 HG SER A 34 3.263 -6.917 10.888 1.00 0.00 H new ATOM 505 N ILE A 35 0.777 -7.390 8.067 1.00 0.00 N ATOM 506 CA ILE A 35 -0.612 -7.416 8.494 1.00 0.00 C ATOM 507 C ILE A 35 -0.826 -8.661 9.342 1.00 0.00 C ATOM 508 O ILE A 35 -0.065 -9.617 9.242 1.00 0.00 O ATOM 509 CB ILE A 35 -1.578 -7.297 7.297 1.00 0.00 C ATOM 510 CG1 ILE A 35 -2.502 -6.077 7.447 1.00 0.00 C ATOM 511 CG2 ILE A 35 -2.466 -8.525 7.071 1.00 0.00 C ATOM 512 CD1 ILE A 35 -2.967 -5.568 6.087 1.00 0.00 C ATOM 0 H ILE A 35 0.922 -7.499 7.063 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.839 -6.546 9.110 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.919 -7.196 6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.367 -6.345 8.053 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.976 -5.282 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.112 -8.353 6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.840 -9.398 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.079 -8.699 7.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.619 -4.705 6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.101 -5.277 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.514 -6.357 5.571 1.00 0.00 H new ATOM 524 N LYS A 36 -1.865 -8.642 10.165 1.00 0.00 N ATOM 525 CA LYS A 36 -2.370 -9.769 10.905 1.00 0.00 C ATOM 526 C LYS A 36 -3.880 -9.578 10.954 1.00 0.00 C ATOM 527 O LYS A 36 -4.390 -8.789 11.746 1.00 0.00 O ATOM 528 CB LYS A 36 -1.749 -9.841 12.312 1.00 0.00 C ATOM 529 CG LYS A 36 -0.218 -9.743 12.295 1.00 0.00 C ATOM 530 CD LYS A 36 0.375 -10.084 13.664 1.00 0.00 C ATOM 531 CE LYS A 36 1.854 -9.669 13.696 1.00 0.00 C ATOM 532 NZ LYS A 36 2.552 -10.183 14.892 1.00 0.00 N ATOM 0 H LYS A 36 -2.400 -7.791 10.337 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.109 -10.715 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.153 -9.034 12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.043 -10.778 12.786 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.184 -10.422 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.081 -8.735 12.007 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.176 -9.568 14.450 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.281 -11.153 13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.353 -10.038 12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.925 -8.582 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.546 -9.879 14.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.094 -9.811 15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.508 -11.222 14.900 1.00 0.00 H new ATOM 546 N GLY A 37 -4.581 -10.255 10.052 1.00 0.00 N ATOM 547 CA GLY A 37 -6.027 -10.420 10.130 1.00 0.00 C ATOM 548 C GLY A 37 -6.682 -10.409 8.751 1.00 0.00 C ATOM 549 O GLY A 37 -7.751 -9.830 8.585 1.00 0.00 O ATOM 0 H GLY A 37 -4.159 -10.708 9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.258 -11.359 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.450 -9.621 10.738 1.00 0.00 H new ATOM 553 N LEU A 38 -6.026 -11.014 7.757 1.00 0.00 N ATOM 554 CA LEU A 38 -6.417 -10.954 6.357 1.00 0.00 C ATOM 555 C LEU A 38 -6.923 -12.329 5.910 1.00 0.00 C ATOM 556 O LEU A 38 -7.459 -13.086 6.716 1.00 0.00 O ATOM 557 CB LEU A 38 -5.202 -10.446 5.554 1.00 0.00 C ATOM 558 CG LEU A 38 -5.570 -9.472 4.423 1.00 0.00 C ATOM 559 CD1 LEU A 38 -6.013 -8.113 4.981 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.377 -9.239 3.492 1.00 0.00 C ATOM 0 H LEU A 38 -5.187 -11.572 7.914 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.242 -10.262 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.509 -9.952 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.676 -11.301 5.128 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.392 -9.927 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.266 -7.446 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.886 -8.249 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.202 -7.677 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.663 -8.546 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.548 -8.817 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.069 -10.187 3.051 1.00 0.00 H new ATOM 572 N THR A 39 -6.747 -12.656 4.630 1.00 0.00 N ATOM 573 CA THR A 39 -7.124 -13.921 4.022 1.00 0.00 C ATOM 574 C THR A 39 -6.021 -14.298 3.062 1.00 0.00 C ATOM 575 O THR A 39 -5.467 -13.391 2.438 1.00 0.00 O ATOM 576 CB THR A 39 -8.385 -13.719 3.181 1.00 0.00 C ATOM 577 OG1 THR A 39 -8.230 -12.544 2.387 1.00 0.00 O ATOM 578 CG2 THR A 39 -9.590 -13.687 4.111 1.00 0.00 C ATOM 0 H THR A 39 -6.318 -12.014 3.963 1.00 0.00 H new ATOM 0 HA THR A 39 -7.290 -14.676 4.791 1.00 0.00 H new ATOM 0 HB THR A 39 -8.549 -14.541 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.822 -12.781 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.498 -13.543 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.655 -14.629 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.481 -12.866 4.819 1.00 0.00 H new ATOM 586 N GLU A 40 -5.778 -15.592 2.875 1.00 0.00 N ATOM 587 CA GLU A 40 -4.824 -16.043 1.884 1.00 0.00 C ATOM 588 C GLU A 40 -5.161 -15.448 0.515 1.00 0.00 C ATOM 589 O GLU A 40 -6.320 -15.468 0.100 1.00 0.00 O ATOM 590 CB GLU A 40 -4.755 -17.574 1.830 1.00 0.00 C ATOM 591 CG GLU A 40 -6.104 -18.312 1.856 1.00 0.00 C ATOM 592 CD GLU A 40 -6.532 -18.680 3.267 1.00 0.00 C ATOM 593 OE1 GLU A 40 -6.993 -17.755 3.969 1.00 0.00 O ATOM 594 OE2 GLU A 40 -6.375 -19.874 3.618 1.00 0.00 O ATOM 0 H GLU A 40 -6.231 -16.341 3.399 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.835 -15.690 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.224 -17.862 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.158 -17.921 2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.868 -17.684 1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.032 -19.217 1.253 1.00 0.00 H new ATOM 601 N GLY A 41 -4.165 -14.888 -0.175 1.00 0.00 N ATOM 602 CA GLY A 41 -4.365 -14.270 -1.471 1.00 0.00 C ATOM 603 C GLY A 41 -3.584 -12.974 -1.472 1.00 0.00 C ATOM 604 O GLY A 41 -2.533 -12.913 -0.845 1.00 0.00 O ATOM 0 H GLY A 41 -3.201 -14.854 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.020 -14.928 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.424 -14.082 -1.649 1.00 0.00 H new ATOM 608 N LEU A 42 -4.096 -11.940 -2.138 1.00 0.00 N ATOM 609 CA LEU A 42 -3.393 -10.690 -2.361 1.00 0.00 C ATOM 610 C LEU A 42 -4.380 -9.530 -2.258 1.00 0.00 C ATOM 611 O LEU A 42 -5.543 -9.671 -2.630 1.00 0.00 O ATOM 612 CB LEU A 42 -2.614 -10.749 -3.687 1.00 0.00 C ATOM 613 CG LEU A 42 -3.421 -10.734 -4.984 1.00 0.00 C ATOM 614 CD1 LEU A 42 -2.476 -10.937 -6.173 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.525 -11.799 -5.076 1.00 0.00 C ATOM 0 H LEU A 42 -5.032 -11.954 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.641 -10.522 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.926 -9.904 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.007 -11.654 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.917 -9.763 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.050 -10.927 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.739 -10.134 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.966 -11.895 -6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.040 -11.707 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.081 -12.791 -4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.238 -11.655 -4.264 1.00 0.00 H new ATOM 627 N HIS A 43 -3.946 -8.430 -1.640 1.00 0.00 N ATOM 628 CA HIS A 43 -4.766 -7.284 -1.281 1.00 0.00 C ATOM 629 C HIS A 43 -4.062 -6.009 -1.761 1.00 0.00 C ATOM 630 O HIS A 43 -2.843 -5.937 -1.645 1.00 0.00 O ATOM 631 CB HIS A 43 -4.943 -7.296 0.238 1.00 0.00 C ATOM 632 CG HIS A 43 -6.047 -8.195 0.736 1.00 0.00 C ATOM 633 ND1 HIS A 43 -7.126 -7.755 1.468 1.00 0.00 N ATOM 634 CD2 HIS A 43 -6.152 -9.555 0.612 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.881 -8.815 1.788 1.00 0.00 C ATOM 636 NE2 HIS A 43 -7.318 -9.913 1.265 1.00 0.00 N ATOM 0 H HIS A 43 -2.970 -8.314 -1.367 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.749 -7.322 -1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.005 -7.607 0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.141 -6.279 0.575 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.318 -6.786 1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.463 -10.215 0.106 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.791 -8.789 2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.689 -10.860 1.337 1.00 0.00 H new ATOM 645 N GLY A 44 -4.785 -5.044 -2.338 1.00 0.00 N ATOM 646 CA GLY A 44 -4.210 -3.880 -3.005 1.00 0.00 C ATOM 647 C GLY A 44 -3.718 -2.851 -1.994 1.00 0.00 C ATOM 648 O GLY A 44 -4.530 -2.316 -1.259 1.00 0.00 O ATOM 0 H GLY A 44 -5.805 -5.054 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.382 -4.194 -3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.957 -3.425 -3.656 1.00 0.00 H new ATOM 652 N PHE A 45 -2.428 -2.524 -1.938 1.00 0.00 N ATOM 653 CA PHE A 45 -1.900 -1.636 -0.900 1.00 0.00 C ATOM 654 C PHE A 45 -1.549 -0.289 -1.536 1.00 0.00 C ATOM 655 O PHE A 45 -0.727 -0.257 -2.452 1.00 0.00 O ATOM 656 CB PHE A 45 -0.669 -2.300 -0.261 1.00 0.00 C ATOM 657 CG PHE A 45 0.215 -1.427 0.618 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.285 -0.266 1.240 1.00 0.00 C ATOM 659 CD2 PHE A 45 1.592 -1.712 0.706 1.00 0.00 C ATOM 660 CE1 PHE A 45 0.609 0.699 1.726 1.00 0.00 C ATOM 661 CE2 PHE A 45 2.460 -0.826 1.368 1.00 0.00 C ATOM 662 CZ PHE A 45 1.971 0.393 1.863 1.00 0.00 C ATOM 0 H PHE A 45 -1.728 -2.860 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.639 -1.462 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.013 -3.143 0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.052 -2.708 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.350 -0.120 1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.983 -2.616 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.248 1.680 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.501 -1.083 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.639 1.091 2.346 1.00 0.00 H new ATOM 672 N HIS A 46 -2.159 0.818 -1.081 1.00 0.00 N ATOM 673 CA HIS A 46 -1.864 2.140 -1.635 1.00 0.00 C ATOM 674 C HIS A 46 -1.987 3.274 -0.626 1.00 0.00 C ATOM 675 O HIS A 46 -2.527 3.082 0.464 1.00 0.00 O ATOM 676 CB HIS A 46 -2.754 2.465 -2.846 1.00 0.00 C ATOM 677 CG HIS A 46 -3.424 1.278 -3.465 1.00 0.00 C ATOM 678 ND1 HIS A 46 -4.753 0.889 -3.286 1.00 0.00 N ATOM 679 CD2 HIS A 46 -2.859 0.417 -4.354 1.00 0.00 C ATOM 680 CE1 HIS A 46 -4.950 -0.215 -4.037 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.825 -0.465 -4.712 1.00 0.00 N ATOM 0 H HIS A 46 -2.855 0.819 -0.335 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.820 2.076 -1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.519 3.177 -2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.146 2.959 -3.604 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.838 0.433 -4.707 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.860 -0.796 -4.084 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.709 -1.211 -5.398 1.00 0.00 H new ATOM 689 N VAL A 47 -1.533 4.465 -1.045 1.00 0.00 N ATOM 690 CA VAL A 47 -1.647 5.721 -0.312 1.00 0.00 C ATOM 691 C VAL A 47 -2.781 6.573 -0.905 1.00 0.00 C ATOM 692 O VAL A 47 -2.809 6.865 -2.104 1.00 0.00 O ATOM 693 CB VAL A 47 -0.294 6.462 -0.221 1.00 0.00 C ATOM 694 CG1 VAL A 47 0.876 5.499 0.025 1.00 0.00 C ATOM 695 CG2 VAL A 47 -0.005 7.457 -1.350 1.00 0.00 C ATOM 0 H VAL A 47 -1.058 4.577 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.916 5.506 0.722 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.398 7.096 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.806 6.064 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.717 4.966 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.936 4.783 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.969 7.919 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.002 6.932 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.775 8.228 -1.362 1.00 0.00 H new ATOM 705 N HIS A 48 -3.756 6.916 -0.065 1.00 0.00 N ATOM 706 CA HIS A 48 -4.943 7.677 -0.397 1.00 0.00 C ATOM 707 C HIS A 48 -4.737 9.163 -0.090 1.00 0.00 C ATOM 708 O HIS A 48 -4.091 9.523 0.895 1.00 0.00 O ATOM 709 CB HIS A 48 -6.105 7.083 0.400 1.00 0.00 C ATOM 710 CG HIS A 48 -6.540 5.739 -0.138 1.00 0.00 C ATOM 711 ND1 HIS A 48 -7.800 5.491 -0.569 1.00 0.00 N ATOM 712 CD2 HIS A 48 -5.733 4.682 -0.474 1.00 0.00 C ATOM 713 CE1 HIS A 48 -7.814 4.308 -1.163 1.00 0.00 C ATOM 714 NE2 HIS A 48 -6.567 3.820 -1.190 1.00 0.00 N ATOM 0 H HIS A 48 -3.730 6.652 0.920 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.161 7.614 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.810 6.976 1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.949 7.772 0.376 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.602 6.111 -0.455 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.688 4.547 -0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.689 3.816 -1.561 1.00 0.00 H new ATOM 722 N GLU A 49 -5.269 10.027 -0.957 1.00 0.00 N ATOM 723 CA GLU A 49 -5.100 11.472 -0.846 1.00 0.00 C ATOM 724 C GLU A 49 -6.015 12.025 0.250 1.00 0.00 C ATOM 725 O GLU A 49 -7.127 12.463 -0.035 1.00 0.00 O ATOM 726 CB GLU A 49 -5.337 12.135 -2.216 1.00 0.00 C ATOM 727 CG GLU A 49 -4.629 13.494 -2.339 1.00 0.00 C ATOM 728 CD GLU A 49 -5.264 14.605 -1.514 1.00 0.00 C ATOM 729 OE1 GLU A 49 -6.322 15.090 -1.951 1.00 0.00 O ATOM 730 OE2 GLU A 49 -4.637 14.971 -0.490 1.00 0.00 O ATOM 0 H GLU A 49 -5.831 9.740 -1.758 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.077 11.706 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.982 11.471 -3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.407 12.271 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.589 13.378 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.622 13.794 -3.387 1.00 0.00 H new ATOM 876 N PRO A 62 -9.231 9.176 -3.049 1.00 0.00 N ATOM 877 CA PRO A 62 -8.806 8.362 -4.171 1.00 0.00 C ATOM 878 C PRO A 62 -7.309 8.042 -4.041 1.00 0.00 C ATOM 879 O PRO A 62 -6.612 8.621 -3.203 1.00 0.00 O ATOM 880 CB PRO A 62 -9.141 9.202 -5.408 1.00 0.00 C ATOM 881 CG PRO A 62 -9.037 10.644 -4.906 1.00 0.00 C ATOM 882 CD PRO A 62 -9.449 10.558 -3.434 1.00 0.00 C ATOM 0 HA PRO A 62 -9.303 7.394 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.443 9.010 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.140 8.980 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.024 11.032 -5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.694 11.309 -5.466 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.854 11.235 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.493 10.842 -3.302 1.00 0.00 H new ATOM 890 N HIS A 63 -6.820 7.107 -4.869 1.00 0.00 N ATOM 891 CA HIS A 63 -5.391 6.821 -4.984 1.00 0.00 C ATOM 892 C HIS A 63 -4.629 8.118 -5.252 1.00 0.00 C ATOM 893 O HIS A 63 -4.933 8.817 -6.215 1.00 0.00 O ATOM 894 CB HIS A 63 -5.113 5.872 -6.160 1.00 0.00 C ATOM 895 CG HIS A 63 -5.262 4.398 -5.889 1.00 0.00 C ATOM 896 ND1 HIS A 63 -4.560 3.361 -6.521 1.00 0.00 N ATOM 897 CD2 HIS A 63 -6.179 3.818 -5.063 1.00 0.00 C ATOM 898 CE1 HIS A 63 -5.094 2.188 -6.104 1.00 0.00 C ATOM 899 NE2 HIS A 63 -6.067 2.472 -5.224 1.00 0.00 N ATOM 0 H HIS A 63 -7.406 6.532 -5.474 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.069 6.359 -4.051 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.784 6.137 -6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.097 6.053 -6.510 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -3.786 3.471 -7.177 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.865 4.331 -4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.791 1.201 -6.422 1.00 0.00 H new ATOM 907 N PHE A 64 -3.622 8.419 -4.433 1.00 0.00 N ATOM 908 CA PHE A 64 -2.837 9.633 -4.593 1.00 0.00 C ATOM 909 C PHE A 64 -1.958 9.531 -5.847 1.00 0.00 C ATOM 910 O PHE A 64 -1.030 8.720 -5.875 1.00 0.00 O ATOM 911 CB PHE A 64 -1.997 9.825 -3.325 1.00 0.00 C ATOM 912 CG PHE A 64 -1.204 11.116 -3.214 1.00 0.00 C ATOM 913 CD1 PHE A 64 -1.772 12.348 -3.589 1.00 0.00 C ATOM 914 CD2 PHE A 64 0.076 11.099 -2.627 1.00 0.00 C ATOM 915 CE1 PHE A 64 -1.063 13.547 -3.398 1.00 0.00 C ATOM 916 CE2 PHE A 64 0.797 12.294 -2.459 1.00 0.00 C ATOM 917 CZ PHE A 64 0.229 13.519 -2.844 1.00 0.00 C ATOM 0 H PHE A 64 -3.333 7.833 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.485 10.499 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.663 9.761 -2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.299 8.991 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.759 12.372 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.506 10.162 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.511 14.489 -3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.789 12.270 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.783 14.437 -2.715 1.00 0.00 H new ATOM 927 N ASN A 65 -2.248 10.329 -6.885 1.00 0.00 N ATOM 928 CA ASN A 65 -1.506 10.335 -8.147 1.00 0.00 C ATOM 929 C ASN A 65 -1.111 11.747 -8.609 1.00 0.00 C ATOM 930 O ASN A 65 -1.462 12.155 -9.712 1.00 0.00 O ATOM 931 CB ASN A 65 -2.280 9.560 -9.225 1.00 0.00 C ATOM 932 CG ASN A 65 -3.499 10.267 -9.811 1.00 0.00 C ATOM 933 OD1 ASN A 65 -4.183 11.010 -9.116 1.00 0.00 O ATOM 934 ND2 ASN A 65 -3.789 10.026 -11.091 1.00 0.00 N ATOM 0 H ASN A 65 -3.018 10.998 -6.867 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.561 9.821 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.594 9.326 -10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.605 8.611 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.603 10.466 -11.521 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.197 9.402 -11.639 1.00 0.00 H new ATOM 941 N PRO A 66 -0.288 12.477 -7.839 1.00 0.00 N ATOM 942 CA PRO A 66 0.172 13.809 -8.214 1.00 0.00 C ATOM 943 C PRO A 66 1.033 13.783 -9.487 1.00 0.00 C ATOM 944 O PRO A 66 1.170 14.798 -10.162 1.00 0.00 O ATOM 945 CB PRO A 66 0.944 14.324 -6.996 1.00 0.00 C ATOM 946 CG PRO A 66 1.502 13.043 -6.385 1.00 0.00 C ATOM 947 CD PRO A 66 0.375 12.037 -6.625 1.00 0.00 C ATOM 0 HA PRO A 66 -0.659 14.468 -8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.737 15.015 -7.282 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.295 14.855 -6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.429 12.735 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.719 13.162 -5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.769 11.027 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.319 12.017 -5.784 1.00 0.00 H new ATOM 955 N LEU A 67 1.579 12.614 -9.855 1.00 0.00 N ATOM 956 CA LEU A 67 2.309 12.419 -11.103 1.00 0.00 C ATOM 957 C LEU A 67 1.366 12.413 -12.312 1.00 0.00 C ATOM 958 O LEU A 67 1.829 12.419 -13.449 1.00 0.00 O ATOM 959 CB LEU A 67 3.086 11.095 -11.047 1.00 0.00 C ATOM 960 CG LEU A 67 4.200 11.062 -9.986 1.00 0.00 C ATOM 961 CD1 LEU A 67 4.681 9.619 -9.799 1.00 0.00 C ATOM 962 CD2 LEU A 67 5.391 11.940 -10.392 1.00 0.00 C ATOM 0 H LEU A 67 1.522 11.772 -9.283 1.00 0.00 H new ATOM 0 HA LEU A 67 3.002 13.252 -11.221 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.386 10.284 -10.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.526 10.903 -12.026 1.00 0.00 H new ATOM 0 HG LEU A 67 3.790 11.452 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.470 9.593 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.848 8.997 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.068 9.239 -10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.158 11.892 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.803 11.581 -11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.059 12.971 -10.511 1.00 0.00 H new ATOM 974 N SER A 68 0.050 12.368 -12.080 1.00 0.00 N ATOM 975 CA SER A 68 -0.978 12.435 -13.103 1.00 0.00 C ATOM 976 C SER A 68 -0.873 11.287 -14.118 1.00 0.00 C ATOM 977 O SER A 68 -1.097 11.495 -15.310 1.00 0.00 O ATOM 978 CB SER A 68 -0.969 13.822 -13.769 1.00 0.00 C ATOM 979 OG SER A 68 -2.064 13.946 -14.653 1.00 0.00 O ATOM 0 H SER A 68 -0.334 12.281 -11.139 1.00 0.00 H new ATOM 0 HA SER A 68 -1.947 12.301 -12.621 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.018 14.600 -13.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.035 13.966 -14.313 1.00 0.00 H new ATOM 0 HG SER A 68 -2.101 13.162 -15.240 1.00 0.00 H new ATOM 985 N ARG A 69 -0.570 10.076 -13.637 1.00 0.00 N ATOM 986 CA ARG A 69 -0.569 8.842 -14.423 1.00 0.00 C ATOM 987 C ARG A 69 -1.793 8.011 -14.023 1.00 0.00 C ATOM 988 O ARG A 69 -2.438 8.313 -13.012 1.00 0.00 O ATOM 989 CB ARG A 69 0.754 8.089 -14.175 1.00 0.00 C ATOM 990 CG ARG A 69 1.921 8.827 -14.861 1.00 0.00 C ATOM 991 CD ARG A 69 3.250 8.785 -14.089 1.00 0.00 C ATOM 992 NE ARG A 69 4.186 7.726 -14.526 1.00 0.00 N ATOM 993 CZ ARG A 69 5.496 7.751 -14.218 1.00 0.00 C ATOM 994 NH1 ARG A 69 5.965 8.712 -13.410 1.00 0.00 N ATOM 995 NH2 ARG A 69 6.357 6.855 -14.700 1.00 0.00 N ATOM 0 H ARG A 69 -0.312 9.926 -12.662 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.634 9.050 -15.491 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.942 8.011 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.680 7.072 -14.560 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.077 8.394 -15.849 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.636 9.868 -15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.744 9.752 -14.190 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.035 8.646 -13.030 1.00 0.00 H new ATOM 0 HE ARG A 69 3.826 6.949 -15.080 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.331 9.417 -13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.956 8.739 -13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.030 6.118 -15.325 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.343 6.906 -14.444 1.00 0.00 H new ATOM 1009 N LYS A 70 -2.128 6.975 -14.803 1.00 0.00 N ATOM 1010 CA LYS A 70 -3.139 6.008 -14.427 1.00 0.00 C ATOM 1011 C LYS A 70 -2.613 5.057 -13.352 1.00 0.00 C ATOM 1012 O LYS A 70 -1.435 5.085 -12.990 1.00 0.00 O ATOM 1013 CB LYS A 70 -3.539 5.222 -15.670 1.00 0.00 C ATOM 1014 CG LYS A 70 -4.510 6.008 -16.551 1.00 0.00 C ATOM 1015 CD LYS A 70 -4.832 5.177 -17.797 1.00 0.00 C ATOM 1016 CE LYS A 70 -6.164 5.625 -18.417 1.00 0.00 C ATOM 1017 NZ LYS A 70 -6.582 4.733 -19.517 1.00 0.00 N ATOM 0 H LYS A 70 -1.699 6.793 -15.711 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.003 6.529 -14.015 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.647 4.973 -16.245 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.000 4.280 -15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.424 6.231 -16.000 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.070 6.963 -16.838 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.031 5.283 -18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.885 4.121 -17.533 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.936 5.641 -17.648 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.066 6.644 -18.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.485 5.067 -19.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.857 4.737 -20.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.699 3.766 -19.154 1.00 0.00 H new ATOM 1031 N HIS A 71 -3.525 4.242 -12.814 1.00 0.00 N ATOM 1032 CA HIS A 71 -3.199 3.262 -11.795 1.00 0.00 C ATOM 1033 C HIS A 71 -2.372 2.126 -12.396 1.00 0.00 C ATOM 1034 O HIS A 71 -2.536 1.810 -13.573 1.00 0.00 O ATOM 1035 CB HIS A 71 -4.510 2.723 -11.209 1.00 0.00 C ATOM 1036 CG HIS A 71 -4.332 1.778 -10.059 1.00 0.00 C ATOM 1037 ND1 HIS A 71 -3.521 1.949 -8.942 1.00 0.00 N ATOM 1038 CD2 HIS A 71 -4.856 0.528 -9.955 1.00 0.00 C ATOM 1039 CE1 HIS A 71 -3.331 0.744 -8.385 1.00 0.00 C ATOM 1040 NE2 HIS A 71 -4.245 -0.072 -8.902 1.00 0.00 N ATOM 0 H HIS A 71 -4.510 4.250 -13.079 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.605 3.725 -11.007 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.120 3.564 -10.881 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.065 2.215 -11.998 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.615 0.095 -10.590 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.578 0.485 -7.655 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.455 -1.009 -8.558 1.00 0.00 H new ATOM 1048 N GLY A 72 -1.550 1.471 -11.576 1.00 0.00 N ATOM 1049 CA GLY A 72 -0.900 0.222 -11.942 1.00 0.00 C ATOM 1050 C GLY A 72 -0.149 -0.332 -10.741 1.00 0.00 C ATOM 1051 O GLY A 72 -0.581 -0.118 -9.609 1.00 0.00 O ATOM 0 H GLY A 72 -1.318 1.796 -10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.642 -0.499 -12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.211 0.388 -12.770 1.00 0.00 H new ATOM 1055 N GLY A 73 0.959 -1.039 -10.976 1.00 0.00 N ATOM 1056 CA GLY A 73 1.763 -1.657 -9.933 1.00 0.00 C ATOM 1057 C GLY A 73 3.227 -1.260 -10.102 1.00 0.00 C ATOM 1058 O GLY A 73 3.583 -0.598 -11.076 1.00 0.00 O ATOM 0 H GLY A 73 1.324 -1.198 -11.915 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.404 -1.346 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.663 -2.741 -9.979 1.00 0.00 H new ATOM 1062 N PRO A 74 4.102 -1.670 -9.172 1.00 0.00 N ATOM 1063 CA PRO A 74 5.496 -1.250 -9.143 1.00 0.00 C ATOM 1064 C PRO A 74 6.266 -1.681 -10.394 1.00 0.00 C ATOM 1065 O PRO A 74 7.266 -1.059 -10.743 1.00 0.00 O ATOM 1066 CB PRO A 74 6.080 -1.850 -7.860 1.00 0.00 C ATOM 1067 CG PRO A 74 5.173 -3.047 -7.570 1.00 0.00 C ATOM 1068 CD PRO A 74 3.813 -2.569 -8.071 1.00 0.00 C ATOM 0 HA PRO A 74 5.579 -0.163 -9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.116 -2.158 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.068 -1.131 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.505 -3.943 -8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.150 -3.290 -6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.199 -3.407 -8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.261 -2.059 -7.282 1.00 0.00 H new ATOM 1076 N LYS A 75 5.799 -2.738 -11.065 1.00 0.00 N ATOM 1077 CA LYS A 75 6.415 -3.279 -12.267 1.00 0.00 C ATOM 1078 C LYS A 75 5.974 -2.536 -13.535 1.00 0.00 C ATOM 1079 O LYS A 75 6.527 -2.792 -14.602 1.00 0.00 O ATOM 1080 CB LYS A 75 6.090 -4.778 -12.356 1.00 0.00 C ATOM 1081 CG LYS A 75 4.601 -5.043 -12.607 1.00 0.00 C ATOM 1082 CD LYS A 75 4.261 -6.538 -12.566 1.00 0.00 C ATOM 1083 CE LYS A 75 2.739 -6.743 -12.619 1.00 0.00 C ATOM 1084 NZ LYS A 75 2.107 -6.040 -13.758 1.00 0.00 N ATOM 0 H LYS A 75 4.964 -3.248 -10.777 1.00 0.00 H new ATOM 0 HA LYS A 75 7.494 -3.139 -12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.676 -5.226 -13.159 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.392 -5.267 -11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.009 -4.517 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.320 -4.635 -13.578 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.732 -7.048 -13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.663 -6.984 -11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.522 -7.809 -12.690 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.296 -6.389 -11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.092 -6.266 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.230 -5.014 -13.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.554 -6.345 -14.646 1.00 0.00 H new ATOM 1098 N ASP A 76 4.942 -1.690 -13.443 1.00 0.00 N ATOM 1099 CA ASP A 76 4.264 -1.097 -14.575 1.00 0.00 C ATOM 1100 C ASP A 76 4.655 0.375 -14.625 1.00 0.00 C ATOM 1101 O ASP A 76 5.023 0.979 -13.618 1.00 0.00 O ATOM 1102 CB ASP A 76 2.746 -1.305 -14.444 1.00 0.00 C ATOM 1103 CG ASP A 76 2.409 -2.688 -13.905 1.00 0.00 C ATOM 1104 OD1 ASP A 76 2.386 -2.822 -12.666 1.00 0.00 O ATOM 1105 OD2 ASP A 76 2.233 -3.642 -14.695 1.00 0.00 O ATOM 0 H ASP A 76 4.552 -1.398 -12.547 1.00 0.00 H new ATOM 0 HA ASP A 76 4.558 -1.569 -15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.331 -0.546 -13.781 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.275 -1.170 -15.418 1.00 0.00 H new ATOM 1110 N GLU A 77 4.601 0.939 -15.825 1.00 0.00 N ATOM 1111 CA GLU A 77 5.095 2.283 -16.108 1.00 0.00 C ATOM 1112 C GLU A 77 4.041 3.329 -15.724 1.00 0.00 C ATOM 1113 O GLU A 77 4.361 4.450 -15.313 1.00 0.00 O ATOM 1114 CB GLU A 77 5.497 2.350 -17.591 1.00 0.00 C ATOM 1115 CG GLU A 77 6.081 3.703 -18.014 1.00 0.00 C ATOM 1116 CD GLU A 77 7.211 4.158 -17.104 1.00 0.00 C ATOM 1117 OE1 GLU A 77 8.190 3.396 -16.971 1.00 0.00 O ATOM 1118 OE2 GLU A 77 7.049 5.253 -16.526 1.00 0.00 O ATOM 0 H GLU A 77 4.208 0.470 -16.641 1.00 0.00 H new ATOM 0 HA GLU A 77 5.977 2.508 -15.508 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.230 1.569 -17.795 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.622 2.135 -18.205 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.449 3.633 -19.038 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.291 4.454 -18.010 1.00 0.00 H new ATOM 1125 N GLU A 78 2.769 2.934 -15.826 1.00 0.00 N ATOM 1126 CA GLU A 78 1.662 3.762 -15.381 1.00 0.00 C ATOM 1127 C GLU A 78 1.328 3.290 -13.983 1.00 0.00 C ATOM 1128 O GLU A 78 0.612 2.314 -13.806 1.00 0.00 O ATOM 1129 CB GLU A 78 0.457 3.702 -16.329 1.00 0.00 C ATOM 1130 CG GLU A 78 0.561 4.811 -17.383 1.00 0.00 C ATOM 1131 CD GLU A 78 -0.772 5.053 -18.082 1.00 0.00 C ATOM 1132 OE1 GLU A 78 -1.236 4.129 -18.784 1.00 0.00 O ATOM 1133 OE2 GLU A 78 -1.328 6.152 -17.854 1.00 0.00 O ATOM 0 H GLU A 78 2.486 2.036 -16.218 1.00 0.00 H new ATOM 0 HA GLU A 78 1.941 4.816 -15.381 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.416 2.728 -16.817 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.467 3.813 -15.762 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.896 5.733 -16.908 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.315 4.541 -18.122 1.00 0.00 H new ATOM 1140 N ARG A 79 1.915 3.966 -13.003 1.00 0.00 N ATOM 1141 CA ARG A 79 1.721 3.692 -11.598 1.00 0.00 C ATOM 1142 C ARG A 79 1.653 5.039 -10.881 1.00 0.00 C ATOM 1143 O ARG A 79 2.410 5.956 -11.203 1.00 0.00 O ATOM 1144 CB ARG A 79 2.843 2.790 -11.075 1.00 0.00 C ATOM 1145 CG ARG A 79 4.272 3.271 -11.364 1.00 0.00 C ATOM 1146 CD ARG A 79 5.196 2.361 -10.550 1.00 0.00 C ATOM 1147 NE ARG A 79 6.621 2.556 -10.847 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.610 2.326 -9.965 1.00 0.00 C ATOM 1149 NH1 ARG A 79 7.325 1.915 -8.728 1.00 0.00 N ATOM 1150 NH2 ARG A 79 8.886 2.525 -10.310 1.00 0.00 N ATOM 0 H ARG A 79 2.556 4.740 -13.176 1.00 0.00 H new ATOM 0 HA ARG A 79 0.794 3.148 -11.416 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.726 2.684 -9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.719 1.798 -11.508 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.498 3.205 -12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.398 4.314 -11.075 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.026 2.541 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.932 1.321 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 79 6.876 2.886 -11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.354 1.774 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.078 1.742 -8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.115 2.854 -11.248 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.630 2.348 -9.635 1.00 0.00 H new ATOM 1164 N HIS A 80 0.726 5.174 -9.936 1.00 0.00 N ATOM 1165 CA HIS A 80 0.619 6.350 -9.086 1.00 0.00 C ATOM 1166 C HIS A 80 1.720 6.355 -8.021 1.00 0.00 C ATOM 1167 O HIS A 80 2.428 5.366 -7.840 1.00 0.00 O ATOM 1168 CB HIS A 80 -0.737 6.359 -8.382 1.00 0.00 C ATOM 1169 CG HIS A 80 -1.951 6.115 -9.242 1.00 0.00 C ATOM 1170 ND1 HIS A 80 -3.100 5.410 -8.884 1.00 0.00 N ATOM 1171 CD2 HIS A 80 -2.207 6.680 -10.454 1.00 0.00 C ATOM 1172 CE1 HIS A 80 -4.071 5.772 -9.738 1.00 0.00 C ATOM 1173 NE2 HIS A 80 -3.522 6.458 -10.741 1.00 0.00 N ATOM 0 H HIS A 80 0.023 4.462 -9.739 1.00 0.00 H new ATOM 0 HA HIS A 80 0.724 7.232 -9.717 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.718 5.602 -7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.858 7.324 -7.890 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.498 7.208 -11.075 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.121 5.545 -9.630 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.006 6.766 -11.584 1.00 0.00 H new ATOM 1181 N VAL A 81 1.804 7.450 -7.258 1.00 0.00 N ATOM 1182 CA VAL A 81 2.737 7.608 -6.147 1.00 0.00 C ATOM 1183 C VAL A 81 2.651 6.413 -5.195 1.00 0.00 C ATOM 1184 O VAL A 81 3.635 5.704 -5.007 1.00 0.00 O ATOM 1185 CB VAL A 81 2.491 8.981 -5.482 1.00 0.00 C ATOM 1186 CG1 VAL A 81 2.762 9.096 -3.978 1.00 0.00 C ATOM 1187 CG2 VAL A 81 3.354 10.024 -6.202 1.00 0.00 C ATOM 0 H VAL A 81 1.210 8.267 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 81 3.769 7.609 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 81 1.417 9.140 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.548 10.112 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.124 8.396 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.808 8.862 -3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.196 11.003 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.405 9.749 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.075 10.063 -7.255 1.00 0.00 H new ATOM 1197 N GLY A 82 1.476 6.154 -4.614 1.00 0.00 N ATOM 1198 CA GLY A 82 1.322 5.029 -3.708 1.00 0.00 C ATOM 1199 C GLY A 82 0.959 3.717 -4.394 1.00 0.00 C ATOM 1200 O GLY A 82 0.364 2.868 -3.741 1.00 0.00 O ATOM 0 H GLY A 82 0.630 6.706 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.252 4.892 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.550 5.269 -2.977 1.00 0.00 H new ATOM 1204 N ASP A 83 1.253 3.509 -5.680 1.00 0.00 N ATOM 1205 CA ASP A 83 0.878 2.247 -6.320 1.00 0.00 C ATOM 1206 C ASP A 83 1.865 1.144 -5.989 1.00 0.00 C ATOM 1207 O ASP A 83 2.582 0.631 -6.847 1.00 0.00 O ATOM 1208 CB ASP A 83 0.668 2.447 -7.817 1.00 0.00 C ATOM 1209 CG ASP A 83 -0.707 3.020 -8.092 1.00 0.00 C ATOM 1210 OD1 ASP A 83 -1.425 3.334 -7.116 1.00 0.00 O ATOM 1211 OD2 ASP A 83 -1.041 3.152 -9.284 1.00 0.00 O ATOM 0 H ASP A 83 1.735 4.176 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.078 1.916 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.432 3.117 -8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.781 1.495 -8.336 1.00 0.00 H new ATOM 1216 N LEU A 84 1.794 0.690 -4.740 1.00 0.00 N ATOM 1217 CA LEU A 84 2.570 -0.425 -4.229 1.00 0.00 C ATOM 1218 C LEU A 84 1.795 -1.716 -4.508 1.00 0.00 C ATOM 1219 O LEU A 84 1.688 -2.591 -3.651 1.00 0.00 O ATOM 1220 CB LEU A 84 2.856 -0.176 -2.741 1.00 0.00 C ATOM 1221 CG LEU A 84 3.418 1.238 -2.485 1.00 0.00 C ATOM 1222 CD1 LEU A 84 3.675 1.433 -0.992 1.00 0.00 C ATOM 1223 CD2 LEU A 84 4.695 1.511 -3.285 1.00 0.00 C ATOM 0 H LEU A 84 1.177 1.102 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 84 3.537 -0.524 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.938 -0.309 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.567 -0.919 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 84 2.670 1.954 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.072 2.433 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.741 1.313 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.396 0.692 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.051 2.519 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.461 0.788 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.483 1.421 -4.350 1.00 0.00 H new ATOM 1235 N GLY A 85 1.260 -1.797 -5.735 1.00 0.00 N ATOM 1236 CA GLY A 85 0.357 -2.811 -6.254 1.00 0.00 C ATOM 1237 C GLY A 85 -0.475 -3.491 -5.168 1.00 0.00 C ATOM 1238 O GLY A 85 -1.310 -2.861 -4.510 1.00 0.00 O ATOM 0 H GLY A 85 1.471 -1.092 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.313 -2.353 -6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.936 -3.566 -6.785 1.00 0.00 H new ATOM 1242 N ASN A 86 -0.209 -4.785 -4.968 1.00 0.00 N ATOM 1243 CA ASN A 86 -0.890 -5.630 -4.007 1.00 0.00 C ATOM 1244 C ASN A 86 0.124 -6.441 -3.218 1.00 0.00 C ATOM 1245 O ASN A 86 1.220 -6.699 -3.715 1.00 0.00 O ATOM 1246 CB ASN A 86 -1.913 -6.535 -4.713 1.00 0.00 C ATOM 1247 CG ASN A 86 -1.359 -7.383 -5.864 1.00 0.00 C ATOM 1248 OD1 ASN A 86 -0.198 -8.022 -5.723 1.00 0.00 O flip ATOM 1249 ND2 ASN A 86 -2.001 -7.493 -6.901 1.00 0.00 N flip ATOM 0 H ASN A 86 0.512 -5.281 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.439 -5.002 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.354 -7.202 -3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.719 -5.911 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.889 -7.002 -7.005 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.648 -8.075 -7.660 1.00 0.00 H new ATOM 1256 N VAL A 87 -0.259 -6.884 -2.022 1.00 0.00 N ATOM 1257 CA VAL A 87 0.604 -7.653 -1.141 1.00 0.00 C ATOM 1258 C VAL A 87 0.326 -9.139 -1.357 1.00 0.00 C ATOM 1259 O VAL A 87 -0.225 -9.503 -2.389 1.00 0.00 O ATOM 1260 CB VAL A 87 0.471 -7.147 0.308 1.00 0.00 C ATOM 1261 CG1 VAL A 87 0.960 -5.693 0.381 1.00 0.00 C ATOM 1262 CG2 VAL A 87 -0.959 -7.222 0.855 1.00 0.00 C ATOM 0 H VAL A 87 -1.188 -6.715 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 87 1.659 -7.512 -1.377 1.00 0.00 H new ATOM 0 HB VAL A 87 1.081 -7.805 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.868 -5.329 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.004 -5.644 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.355 -5.072 -0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.977 -6.850 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.618 -6.613 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.301 -8.257 0.839 1.00 0.00 H new ATOM 1272 N THR A 88 0.684 -10.022 -0.428 1.00 0.00 N ATOM 1273 CA THR A 88 0.273 -11.417 -0.493 1.00 0.00 C ATOM 1274 C THR A 88 0.163 -11.903 0.941 1.00 0.00 C ATOM 1275 O THR A 88 1.161 -11.901 1.656 1.00 0.00 O ATOM 1276 CB THR A 88 1.251 -12.255 -1.331 1.00 0.00 C ATOM 1277 OG1 THR A 88 1.542 -11.603 -2.552 1.00 0.00 O ATOM 1278 CG2 THR A 88 0.634 -13.620 -1.658 1.00 0.00 C ATOM 0 H THR A 88 1.261 -9.792 0.381 1.00 0.00 H new ATOM 0 HA THR A 88 -0.688 -11.522 -0.997 1.00 0.00 H new ATOM 0 HB THR A 88 2.164 -12.382 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.167 -12.149 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.337 -14.204 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.413 -14.151 -0.732 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.287 -13.477 -2.223 1.00 0.00 H new ATOM 1286 N ALA A 89 -1.052 -12.233 1.377 1.00 0.00 N ATOM 1287 CA ALA A 89 -1.298 -12.732 2.710 1.00 0.00 C ATOM 1288 C ALA A 89 -1.153 -14.246 2.739 1.00 0.00 C ATOM 1289 O ALA A 89 -1.566 -14.937 1.805 1.00 0.00 O ATOM 1290 CB ALA A 89 -2.670 -12.288 3.205 1.00 0.00 C ATOM 0 H ALA A 89 -1.892 -12.158 0.804 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.555 -12.312 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.836 -12.674 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.716 -11.199 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.440 -12.673 2.537 1.00 0.00 H new ATOM 1296 N ASP A 90 -0.566 -14.723 3.835 1.00 0.00 N ATOM 1297 CA ASP A 90 -0.388 -16.122 4.163 1.00 0.00 C ATOM 1298 C ASP A 90 -1.713 -16.750 4.555 1.00 0.00 C ATOM 1299 O ASP A 90 -2.722 -16.064 4.725 1.00 0.00 O ATOM 1300 CB ASP A 90 0.647 -16.269 5.293 1.00 0.00 C ATOM 1301 CG ASP A 90 1.790 -17.153 4.838 1.00 0.00 C ATOM 1302 OD1 ASP A 90 1.476 -18.332 4.560 1.00 0.00 O ATOM 1303 OD2 ASP A 90 2.925 -16.638 4.756 1.00 0.00 O ATOM 0 H ASP A 90 -0.184 -14.105 4.551 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.016 -16.647 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.027 -15.288 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.174 -16.698 6.177 1.00 0.00 H new ATOM 1308 N LYS A 91 -1.691 -18.060 4.786 1.00 0.00 N ATOM 1309 CA LYS A 91 -2.822 -18.811 5.254 1.00 0.00 C ATOM 1310 C LYS A 91 -3.230 -18.411 6.677 1.00 0.00 C ATOM 1311 O LYS A 91 -4.338 -18.719 7.111 1.00 0.00 O ATOM 1312 CB LYS A 91 -2.454 -20.293 5.118 1.00 0.00 C ATOM 1313 CG LYS A 91 -3.670 -21.107 5.524 1.00 0.00 C ATOM 1314 CD LYS A 91 -3.814 -22.411 4.734 1.00 0.00 C ATOM 1315 CE LYS A 91 -5.184 -23.066 4.972 1.00 0.00 C ATOM 1316 NZ LYS A 91 -6.308 -22.114 4.811 1.00 0.00 N ATOM 0 H LYS A 91 -0.858 -18.631 4.645 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.708 -18.598 4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.164 -20.523 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.601 -20.536 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.605 -21.339 6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.567 -20.504 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.686 -22.209 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.023 -23.103 5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.312 -23.894 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.211 -23.487 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.114 -22.600 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.593 -21.752 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.008 -21.321 4.209 1.00 0.00 H new ATOM 1330 N ASP A 92 -2.351 -17.696 7.382 1.00 0.00 N ATOM 1331 CA ASP A 92 -2.647 -17.136 8.696 1.00 0.00 C ATOM 1332 C ASP A 92 -3.272 -15.744 8.543 1.00 0.00 C ATOM 1333 O ASP A 92 -3.575 -15.075 9.529 1.00 0.00 O ATOM 1334 CB ASP A 92 -1.357 -17.111 9.535 1.00 0.00 C ATOM 1335 CG ASP A 92 -1.494 -17.936 10.807 1.00 0.00 C ATOM 1336 OD1 ASP A 92 -1.695 -19.161 10.666 1.00 0.00 O ATOM 1337 OD2 ASP A 92 -1.388 -17.332 11.896 1.00 0.00 O ATOM 0 H ASP A 92 -1.408 -17.490 7.052 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.375 -17.756 9.219 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.529 -17.496 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.112 -16.081 9.794 1.00 0.00 H new ATOM 1342 N GLY A 93 -3.454 -15.282 7.302 1.00 0.00 N ATOM 1343 CA GLY A 93 -3.961 -13.960 7.012 1.00 0.00 C ATOM 1344 C GLY A 93 -2.969 -12.887 7.455 1.00 0.00 C ATOM 1345 O GLY A 93 -3.371 -11.863 8.015 1.00 0.00 O ATOM 0 H GLY A 93 -3.247 -15.832 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.152 -13.866 5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.914 -13.812 7.520 1.00 0.00 H new ATOM 1349 N VAL A 94 -1.681 -13.120 7.181 1.00 0.00 N ATOM 1350 CA VAL A 94 -0.585 -12.207 7.473 1.00 0.00 C ATOM 1351 C VAL A 94 0.080 -11.859 6.146 1.00 0.00 C ATOM 1352 O VAL A 94 0.556 -12.760 5.466 1.00 0.00 O ATOM 1353 CB VAL A 94 0.419 -12.865 8.437 1.00 0.00 C ATOM 1354 CG1 VAL A 94 1.662 -11.989 8.701 1.00 0.00 C ATOM 1355 CG2 VAL A 94 -0.246 -13.210 9.775 1.00 0.00 C ATOM 0 H VAL A 94 -1.368 -13.982 6.734 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.952 -11.303 7.960 1.00 0.00 H new ATOM 0 HB VAL A 94 0.751 -13.778 7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.332 -12.506 9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.180 -11.800 7.761 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.352 -11.041 9.141 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.486 -13.673 10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.627 -12.300 10.237 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.070 -13.903 9.604 1.00 0.00 H new ATOM 1365 N ALA A 95 0.095 -10.582 5.754 1.00 0.00 N ATOM 1366 CA ALA A 95 0.781 -10.116 4.559 1.00 0.00 C ATOM 1367 C ALA A 95 2.021 -9.365 5.006 1.00 0.00 C ATOM 1368 O ALA A 95 1.904 -8.241 5.501 1.00 0.00 O ATOM 1369 CB ALA A 95 -0.122 -9.227 3.700 1.00 0.00 C ATOM 0 H ALA A 95 -0.377 -9.838 6.268 1.00 0.00 H new ATOM 0 HA ALA A 95 1.056 -10.966 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.425 -8.898 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.002 -9.792 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.433 -8.357 4.279 1.00 0.00 H new ATOM 1375 N ASP A 96 3.179 -10.002 4.833 1.00 0.00 N ATOM 1376 CA ASP A 96 4.475 -9.401 5.070 1.00 0.00 C ATOM 1377 C ASP A 96 4.875 -8.618 3.824 1.00 0.00 C ATOM 1378 O ASP A 96 5.157 -9.198 2.778 1.00 0.00 O ATOM 1379 CB ASP A 96 5.509 -10.456 5.477 1.00 0.00 C ATOM 1380 CG ASP A 96 5.324 -10.842 6.939 1.00 0.00 C ATOM 1381 OD1 ASP A 96 5.854 -10.101 7.796 1.00 0.00 O ATOM 1382 OD2 ASP A 96 4.623 -11.844 7.181 1.00 0.00 O ATOM 0 H ASP A 96 3.235 -10.970 4.517 1.00 0.00 H new ATOM 0 HA ASP A 96 4.425 -8.708 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.406 -11.338 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.515 -10.068 5.321 1.00 0.00 H new ATOM 1387 N VAL A 97 4.855 -7.291 3.926 1.00 0.00 N ATOM 1388 CA VAL A 97 5.238 -6.395 2.845 1.00 0.00 C ATOM 1389 C VAL A 97 6.738 -6.182 2.952 1.00 0.00 C ATOM 1390 O VAL A 97 7.254 -6.122 4.066 1.00 0.00 O ATOM 1391 CB VAL A 97 4.483 -5.058 2.956 1.00 0.00 C ATOM 1392 CG1 VAL A 97 4.586 -4.274 1.641 1.00 0.00 C ATOM 1393 CG2 VAL A 97 3.015 -5.283 3.329 1.00 0.00 C ATOM 0 H VAL A 97 4.568 -6.804 4.775 1.00 0.00 H new ATOM 0 HA VAL A 97 4.982 -6.825 1.877 1.00 0.00 H new ATOM 0 HB VAL A 97 4.948 -4.474 3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.047 -3.331 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.634 -4.072 1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.150 -4.861 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.506 -4.322 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.534 -5.892 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.958 -5.796 4.289 1.00 0.00 H new ATOM 1403 N SER A 98 7.423 -6.036 1.818 1.00 0.00 N ATOM 1404 CA SER A 98 8.827 -5.663 1.764 1.00 0.00 C ATOM 1405 C SER A 98 9.161 -5.233 0.334 1.00 0.00 C ATOM 1406 O SER A 98 9.314 -6.083 -0.541 1.00 0.00 O ATOM 1407 CB SER A 98 9.723 -6.818 2.253 1.00 0.00 C ATOM 1408 OG SER A 98 10.763 -6.308 3.064 1.00 0.00 O ATOM 0 H SER A 98 7.006 -6.177 0.898 1.00 0.00 H new ATOM 0 HA SER A 98 9.019 -4.825 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.129 -7.537 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.143 -7.351 1.400 1.00 0.00 H new ATOM 0 HG SER A 98 11.328 -7.046 3.374 1.00 0.00 H new ATOM 1414 N ILE A 99 9.229 -3.925 0.081 1.00 0.00 N ATOM 1415 CA ILE A 99 9.548 -3.360 -1.220 1.00 0.00 C ATOM 1416 C ILE A 99 10.225 -2.002 -0.984 1.00 0.00 C ATOM 1417 O ILE A 99 10.432 -1.604 0.160 1.00 0.00 O ATOM 1418 CB ILE A 99 8.264 -3.348 -2.086 1.00 0.00 C ATOM 1419 CG1 ILE A 99 8.595 -3.559 -3.571 1.00 0.00 C ATOM 1420 CG2 ILE A 99 7.364 -2.127 -1.849 1.00 0.00 C ATOM 1421 CD1 ILE A 99 7.362 -3.744 -4.460 1.00 0.00 C ATOM 0 H ILE A 99 9.059 -3.217 0.795 1.00 0.00 H new ATOM 0 HA ILE A 99 10.261 -3.951 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 99 7.666 -4.197 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.166 -2.703 -3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.237 -4.434 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.486 -2.192 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.049 -2.104 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.917 -1.217 -2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.677 -3.887 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.801 -4.617 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.729 -2.859 -4.393 1.00 0.00 H new ATOM 1433 N GLU A 100 10.604 -1.286 -2.034 1.00 0.00 N ATOM 1434 CA GLU A 100 11.105 0.068 -1.966 1.00 0.00 C ATOM 1435 C GLU A 100 10.570 0.822 -3.174 1.00 0.00 C ATOM 1436 O GLU A 100 10.118 0.183 -4.126 1.00 0.00 O ATOM 1437 CB GLU A 100 12.636 0.068 -1.944 1.00 0.00 C ATOM 1438 CG GLU A 100 13.300 -0.734 -3.067 1.00 0.00 C ATOM 1439 CD GLU A 100 14.767 -0.346 -3.159 1.00 0.00 C ATOM 1440 OE1 GLU A 100 15.528 -0.858 -2.309 1.00 0.00 O ATOM 1441 OE2 GLU A 100 15.080 0.481 -4.042 1.00 0.00 O ATOM 0 H GLU A 100 10.567 -1.650 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 100 10.771 0.556 -1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.985 1.099 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.971 -0.331 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.206 -1.802 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.799 -0.538 -4.015 1.00 0.00 H new ATOM 1448 N ASP A 101 10.635 2.154 -3.139 1.00 0.00 N ATOM 1449 CA ASP A 101 10.339 2.974 -4.302 1.00 0.00 C ATOM 1450 C ASP A 101 11.102 4.290 -4.235 1.00 0.00 C ATOM 1451 O ASP A 101 11.510 4.730 -3.161 1.00 0.00 O ATOM 1452 CB ASP A 101 8.827 3.210 -4.461 1.00 0.00 C ATOM 1453 CG ASP A 101 8.273 2.476 -5.670 1.00 0.00 C ATOM 1454 OD1 ASP A 101 8.868 2.664 -6.758 1.00 0.00 O ATOM 1455 OD2 ASP A 101 7.241 1.788 -5.538 1.00 0.00 O ATOM 0 H ASP A 101 10.893 2.686 -2.308 1.00 0.00 H new ATOM 0 HA ASP A 101 10.671 2.432 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.309 2.876 -3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.633 4.278 -4.562 1.00 0.00 H new ATOM 1460 N SER A 102 11.295 4.904 -5.403 1.00 0.00 N ATOM 1461 CA SER A 102 12.144 6.064 -5.615 1.00 0.00 C ATOM 1462 C SER A 102 11.337 7.316 -5.968 1.00 0.00 C ATOM 1463 O SER A 102 11.923 8.346 -6.293 1.00 0.00 O ATOM 1464 CB SER A 102 13.136 5.710 -6.727 1.00 0.00 C ATOM 1465 OG SER A 102 12.435 5.265 -7.876 1.00 0.00 O ATOM 0 H SER A 102 10.842 4.588 -6.260 1.00 0.00 H new ATOM 0 HA SER A 102 12.672 6.305 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.743 6.581 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.819 4.933 -6.383 1.00 0.00 H new ATOM 0 HG SER A 102 13.075 5.042 -8.584 1.00 0.00 H new ATOM 1471 N VAL A 103 10.006 7.222 -5.949 1.00 0.00 N ATOM 1472 CA VAL A 103 9.099 8.306 -6.267 1.00 0.00 C ATOM 1473 C VAL A 103 8.685 9.011 -4.975 1.00 0.00 C ATOM 1474 O VAL A 103 8.823 10.226 -4.853 1.00 0.00 O ATOM 1475 CB VAL A 103 7.891 7.756 -7.052 1.00 0.00 C ATOM 1476 CG1 VAL A 103 8.119 7.927 -8.559 1.00 0.00 C ATOM 1477 CG2 VAL A 103 7.529 6.288 -6.769 1.00 0.00 C ATOM 0 H VAL A 103 9.523 6.358 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 103 9.589 9.043 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 103 7.045 8.346 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.260 7.535 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 103 8.244 8.985 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.016 7.383 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.667 6.003 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.375 5.649 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.288 6.170 -5.713 1.00 0.00 H new ATOM 1487 N ILE A 104 8.159 8.251 -4.011 1.00 0.00 N ATOM 1488 CA ILE A 104 7.700 8.790 -2.752 1.00 0.00 C ATOM 1489 C ILE A 104 8.873 9.241 -1.882 1.00 0.00 C ATOM 1490 O ILE A 104 10.034 8.989 -2.201 1.00 0.00 O ATOM 1491 CB ILE A 104 6.784 7.777 -2.050 1.00 0.00 C ATOM 1492 CG1 ILE A 104 7.483 6.654 -1.267 1.00 0.00 C ATOM 1493 CG2 ILE A 104 5.727 7.209 -3.006 1.00 0.00 C ATOM 1494 CD1 ILE A 104 8.443 5.821 -2.118 1.00 0.00 C ATOM 0 H ILE A 104 8.044 7.241 -4.094 1.00 0.00 H new ATOM 0 HA ILE A 104 7.107 9.685 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 104 6.295 8.373 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 104 8.034 7.091 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.727 5.996 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.099 6.496 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.109 8.021 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.221 6.706 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.900 5.048 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.893 5.354 -2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 104 9.221 6.466 -2.526 1.00 0.00 H new ATOM 1506 N SER A 105 8.579 9.919 -0.772 1.00 0.00 N ATOM 1507 CA SER A 105 9.598 10.437 0.125 1.00 0.00 C ATOM 1508 C SER A 105 8.895 10.888 1.400 1.00 0.00 C ATOM 1509 O SER A 105 7.668 10.981 1.422 1.00 0.00 O ATOM 1510 CB SER A 105 10.422 11.531 -0.591 1.00 0.00 C ATOM 1511 OG SER A 105 10.536 12.737 0.139 1.00 0.00 O ATOM 0 H SER A 105 7.625 10.122 -0.474 1.00 0.00 H new ATOM 0 HA SER A 105 10.332 9.683 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.421 11.145 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.962 11.745 -1.556 1.00 0.00 H new ATOM 0 HG SER A 105 11.070 13.380 -0.373 1.00 0.00 H new ATOM 1517 N LEU A 106 9.661 11.162 2.456 1.00 0.00 N ATOM 1518 CA LEU A 106 9.162 11.746 3.692 1.00 0.00 C ATOM 1519 C LEU A 106 9.454 13.252 3.696 1.00 0.00 C ATOM 1520 O LEU A 106 9.560 13.866 4.756 1.00 0.00 O ATOM 1521 CB LEU A 106 9.798 11.035 4.893 1.00 0.00 C ATOM 1522 CG LEU A 106 9.547 9.513 4.888 1.00 0.00 C ATOM 1523 CD1 LEU A 106 10.734 8.733 4.317 1.00 0.00 C ATOM 1524 CD2 LEU A 106 9.245 9.005 6.300 1.00 0.00 C ATOM 0 H LEU A 106 10.664 10.979 2.472 1.00 0.00 H new ATOM 0 HA LEU A 106 8.083 11.613 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.872 11.222 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.400 11.461 5.814 1.00 0.00 H new ATOM 0 HG LEU A 106 8.684 9.344 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.511 7.666 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.917 9.049 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.621 8.928 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.072 7.929 6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.092 9.218 6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.356 9.505 6.684 1.00 0.00 H new ATOM 1566 N HIS A 110 6.126 14.993 -1.856 1.00 0.00 N ATOM 1567 CA HIS A 110 5.902 13.562 -1.741 1.00 0.00 C ATOM 1568 C HIS A 110 5.671 13.080 -0.308 1.00 0.00 C ATOM 1569 O HIS A 110 5.096 12.006 -0.151 1.00 0.00 O ATOM 1570 CB HIS A 110 7.068 12.805 -2.383 1.00 0.00 C ATOM 1571 CG HIS A 110 7.046 12.864 -3.889 1.00 0.00 C ATOM 1572 ND1 HIS A 110 7.778 13.714 -4.686 1.00 0.00 N ATOM 1573 CD2 HIS A 110 6.242 12.117 -4.708 1.00 0.00 C ATOM 1574 CE1 HIS A 110 7.418 13.477 -5.959 1.00 0.00 C ATOM 1575 NE2 HIS A 110 6.483 12.514 -6.026 1.00 0.00 N ATOM 0 HA HIS A 110 4.975 13.349 -2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 110 8.008 13.222 -2.022 1.00 0.00 H new ATOM 0 HB3 HIS A 110 7.038 11.763 -2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 110 5.545 11.355 -4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 110 7.826 13.993 -6.816 1.00 0.00 H new ATOM 0 HE2 HIS A 110 6.039 12.147 -6.868 1.00 0.00 H new ATOM 1583 N SER A 111 6.133 13.830 0.704 1.00 0.00 N ATOM 1584 CA SER A 111 6.002 13.575 2.124 1.00 0.00 C ATOM 1585 C SER A 111 4.844 12.653 2.510 1.00 0.00 C ATOM 1586 O SER A 111 3.738 13.109 2.784 1.00 0.00 O ATOM 1587 CB SER A 111 5.873 14.927 2.814 1.00 0.00 C ATOM 1588 OG SER A 111 6.974 15.739 2.473 1.00 0.00 O ATOM 0 H SER A 111 6.645 14.694 0.524 1.00 0.00 H new ATOM 0 HA SER A 111 6.889 13.031 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.944 15.412 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.828 14.792 3.895 1.00 0.00 H new ATOM 0 HG SER A 111 6.889 16.609 2.916 1.00 0.00 H new ATOM 1594 N ILE A 112 5.122 11.351 2.587 1.00 0.00 N ATOM 1595 CA ILE A 112 4.124 10.352 2.935 1.00 0.00 C ATOM 1596 C ILE A 112 3.620 10.531 4.369 1.00 0.00 C ATOM 1597 O ILE A 112 2.512 10.114 4.687 1.00 0.00 O ATOM 1598 CB ILE A 112 4.670 8.936 2.695 1.00 0.00 C ATOM 1599 CG1 ILE A 112 5.917 8.635 3.544 1.00 0.00 C ATOM 1600 CG2 ILE A 112 4.955 8.740 1.202 1.00 0.00 C ATOM 1601 CD1 ILE A 112 6.284 7.151 3.537 1.00 0.00 C ATOM 0 H ILE A 112 6.049 10.964 2.409 1.00 0.00 H new ATOM 0 HA ILE A 112 3.264 10.494 2.281 1.00 0.00 H new ATOM 0 HB ILE A 112 3.907 8.225 3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.759 9.216 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.741 8.958 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.342 7.735 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.034 8.873 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.692 9.472 0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.171 6.993 4.151 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.455 6.569 3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.488 6.832 2.515 1.00 0.00 H new ATOM 1613 N ILE A 113 4.428 11.148 5.237 1.00 0.00 N ATOM 1614 CA ILE A 113 4.042 11.472 6.596 1.00 0.00 C ATOM 1615 C ILE A 113 2.766 12.296 6.525 1.00 0.00 C ATOM 1616 O ILE A 113 2.761 13.394 5.975 1.00 0.00 O ATOM 1617 CB ILE A 113 5.156 12.248 7.322 1.00 0.00 C ATOM 1618 CG1 ILE A 113 6.425 11.409 7.518 1.00 0.00 C ATOM 1619 CG2 ILE A 113 4.667 12.784 8.678 1.00 0.00 C ATOM 1620 CD1 ILE A 113 6.192 10.133 8.330 1.00 0.00 C ATOM 0 H ILE A 113 5.378 11.436 5.004 1.00 0.00 H new ATOM 0 HA ILE A 113 3.874 10.558 7.166 1.00 0.00 H new ATOM 0 HB ILE A 113 5.412 13.089 6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.828 11.141 6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.179 12.016 8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.475 13.327 9.167 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.822 13.454 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.357 11.951 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.131 9.589 8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.818 10.395 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.461 9.505 7.820 1.00 0.00 H new ATOM 1632 N GLY A 114 1.694 11.738 7.071 1.00 0.00 N ATOM 1633 CA GLY A 114 0.385 12.339 7.077 1.00 0.00 C ATOM 1634 C GLY A 114 -0.595 11.575 6.193 1.00 0.00 C ATOM 1635 O GLY A 114 -1.773 11.502 6.518 1.00 0.00 O ATOM 0 H GLY A 114 1.721 10.829 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.005 12.370 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.457 13.370 6.732 1.00 0.00 H new ATOM 1639 N ARG A 115 -0.132 11.008 5.075 1.00 0.00 N ATOM 1640 CA ARG A 115 -1.021 10.359 4.120 1.00 0.00 C ATOM 1641 C ARG A 115 -1.720 9.149 4.742 1.00 0.00 C ATOM 1642 O ARG A 115 -1.119 8.406 5.525 1.00 0.00 O ATOM 1643 CB ARG A 115 -0.257 9.972 2.845 1.00 0.00 C ATOM 1644 CG ARG A 115 -0.044 11.196 1.944 1.00 0.00 C ATOM 1645 CD ARG A 115 -1.263 11.375 1.030 1.00 0.00 C ATOM 1646 NE ARG A 115 -1.292 12.709 0.413 1.00 0.00 N ATOM 1647 CZ ARG A 115 -2.074 13.733 0.796 1.00 0.00 C ATOM 1648 NH1 ARG A 115 -2.819 13.692 1.908 1.00 0.00 N ATOM 1649 NH2 ARG A 115 -2.129 14.825 0.034 1.00 0.00 N ATOM 0 H ARG A 115 0.854 10.988 4.813 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.797 11.072 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.707 9.539 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.812 9.207 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 115 0.102 12.088 2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.858 11.068 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -1.247 10.614 0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -2.175 11.221 1.607 1.00 0.00 H new ATOM 0 HE ARG A 115 -0.664 12.872 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.806 12.861 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -3.399 14.491 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -1.583 14.875 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.718 15.611 0.311 1.00 0.00 H new ATOM 1663 N THR A 116 -2.983 8.932 4.364 1.00 0.00 N ATOM 1664 CA THR A 116 -3.705 7.726 4.713 1.00 0.00 C ATOM 1665 C THR A 116 -3.251 6.607 3.784 1.00 0.00 C ATOM 1666 O THR A 116 -3.053 6.845 2.592 1.00 0.00 O ATOM 1667 CB THR A 116 -5.213 7.962 4.606 1.00 0.00 C ATOM 1668 OG1 THR A 116 -5.514 9.178 5.251 1.00 0.00 O ATOM 1669 CG2 THR A 116 -6.026 6.825 5.238 1.00 0.00 C ATOM 0 H THR A 116 -3.525 9.593 3.808 1.00 0.00 H new ATOM 0 HA THR A 116 -3.493 7.443 5.744 1.00 0.00 H new ATOM 0 HB THR A 116 -5.485 7.998 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 116 -6.477 9.350 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 116 -7.090 7.039 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.794 5.888 4.732 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.772 6.740 6.295 1.00 0.00 H new ATOM 1677 N LEU A 117 -3.107 5.386 4.301 1.00 0.00 N ATOM 1678 CA LEU A 117 -2.840 4.215 3.487 1.00 0.00 C ATOM 1679 C LEU A 117 -3.898 3.152 3.727 1.00 0.00 C ATOM 1680 O LEU A 117 -4.541 3.128 4.780 1.00 0.00 O ATOM 1681 CB LEU A 117 -1.400 3.722 3.665 1.00 0.00 C ATOM 1682 CG LEU A 117 -1.156 2.705 4.789 1.00 0.00 C ATOM 1683 CD1 LEU A 117 0.301 2.223 4.736 1.00 0.00 C ATOM 1684 CD2 LEU A 117 -1.489 3.311 6.154 1.00 0.00 C ATOM 0 H LEU A 117 -3.174 5.188 5.299 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.915 4.486 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.074 3.276 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.763 4.588 3.845 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.814 1.848 4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.475 1.501 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.494 1.752 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.971 3.074 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.308 2.572 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.859 4.184 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.537 3.610 6.173 1.00 0.00 H new ATOM 1696 N VAL A 118 -4.113 2.315 2.713 1.00 0.00 N ATOM 1697 CA VAL A 118 -5.208 1.366 2.674 1.00 0.00 C ATOM 1698 C VAL A 118 -4.718 0.079 2.011 1.00 0.00 C ATOM 1699 O VAL A 118 -3.977 0.136 1.032 1.00 0.00 O ATOM 1700 CB VAL A 118 -6.395 1.988 1.920 1.00 0.00 C ATOM 1701 CG1 VAL A 118 -7.595 1.036 1.939 1.00 0.00 C ATOM 1702 CG2 VAL A 118 -6.819 3.344 2.513 1.00 0.00 C ATOM 0 H VAL A 118 -3.518 2.282 1.885 1.00 0.00 H new ATOM 0 HA VAL A 118 -5.549 1.122 3.680 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.064 2.156 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.428 1.490 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.322 0.096 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.891 0.844 2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -7.660 3.742 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.114 3.210 3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.983 4.042 2.460 1.00 0.00 H new ATOM 1712 N VAL A 119 -5.130 -1.061 2.576 1.00 0.00 N ATOM 1713 CA VAL A 119 -4.776 -2.427 2.179 1.00 0.00 C ATOM 1714 C VAL A 119 -5.788 -3.024 1.189 1.00 0.00 C ATOM 1715 O VAL A 119 -5.498 -3.997 0.501 1.00 0.00 O ATOM 1716 CB VAL A 119 -4.634 -3.301 3.450 1.00 0.00 C ATOM 1717 CG1 VAL A 119 -5.639 -2.944 4.555 1.00 0.00 C ATOM 1718 CG2 VAL A 119 -4.776 -4.801 3.163 1.00 0.00 C ATOM 0 H VAL A 119 -5.762 -1.053 3.377 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.822 -2.402 1.652 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.624 -3.083 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.482 -3.596 5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.496 -1.906 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.654 -3.076 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.667 -5.361 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.758 -4.998 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.004 -5.112 2.459 1.00 0.00 H new ATOM 1728 N HIS A 120 -6.997 -2.468 1.162 1.00 0.00 N ATOM 1729 CA HIS A 120 -8.154 -2.928 0.410 1.00 0.00 C ATOM 1730 C HIS A 120 -8.612 -4.332 0.782 1.00 0.00 C ATOM 1731 O HIS A 120 -7.858 -5.162 1.282 1.00 0.00 O ATOM 1732 CB HIS A 120 -7.997 -2.743 -1.102 1.00 0.00 C ATOM 1733 CG HIS A 120 -8.165 -1.306 -1.484 1.00 0.00 C ATOM 1734 ND1 HIS A 120 -7.104 -0.499 -1.702 1.00 0.00 N flip ATOM 1735 CD2 HIS A 120 -9.324 -0.580 -1.553 1.00 0.00 C flip ATOM 1736 CE1 HIS A 120 -7.641 0.736 -2.022 1.00 0.00 C flip ATOM 1737 NE2 HIS A 120 -8.989 0.666 -1.915 1.00 0.00 N flip ATOM 0 H HIS A 120 -7.204 -1.628 1.702 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.966 -2.269 0.717 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.014 -3.094 -1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.735 -3.351 -1.625 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -6.116 -0.747 -1.643 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.321 -0.943 -1.353 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -7.078 1.611 -2.310 1.00 0.00 H new ATOM 1745 N GLU A 121 -9.903 -4.581 0.581 1.00 0.00 N ATOM 1746 CA GLU A 121 -10.527 -5.853 0.850 1.00 0.00 C ATOM 1747 C GLU A 121 -10.090 -6.921 -0.149 1.00 0.00 C ATOM 1748 O GLU A 121 -10.035 -8.096 0.200 1.00 0.00 O ATOM 1749 CB GLU A 121 -12.052 -5.638 0.911 1.00 0.00 C ATOM 1750 CG GLU A 121 -12.959 -6.886 0.970 1.00 0.00 C ATOM 1751 CD GLU A 121 -13.917 -6.975 -0.222 1.00 0.00 C ATOM 1752 OE1 GLU A 121 -14.462 -5.916 -0.613 1.00 0.00 O ATOM 1753 OE2 GLU A 121 -14.082 -8.097 -0.755 1.00 0.00 O ATOM 0 H GLU A 121 -10.551 -3.882 0.218 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.201 -6.241 1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.268 -5.027 1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.342 -5.056 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.338 -7.781 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -13.536 -6.868 1.895 1.00 0.00 H new ATOM 1760 N LYS A 122 -9.735 -6.526 -1.372 1.00 0.00 N ATOM 1761 CA LYS A 122 -9.244 -7.448 -2.381 1.00 0.00 C ATOM 1762 C LYS A 122 -7.997 -6.868 -3.038 1.00 0.00 C ATOM 1763 O LYS A 122 -7.504 -5.807 -2.641 1.00 0.00 O ATOM 1764 CB LYS A 122 -10.330 -7.735 -3.424 1.00 0.00 C ATOM 1765 CG LYS A 122 -11.728 -7.910 -2.815 1.00 0.00 C ATOM 1766 CD LYS A 122 -12.718 -8.268 -3.934 1.00 0.00 C ATOM 1767 CE LYS A 122 -14.099 -7.617 -3.744 1.00 0.00 C ATOM 1768 NZ LYS A 122 -15.064 -8.531 -3.113 1.00 0.00 N ATOM 0 H LYS A 122 -9.782 -5.556 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.983 -8.393 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.356 -6.918 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -10.066 -8.638 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.714 -8.695 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.039 -6.992 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -12.304 -7.955 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.835 -9.351 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.995 -6.722 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.484 -7.297 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.021 -8.131 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -15.035 -9.453 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -14.819 -8.656 -2.110 1.00 0.00 H new ATOM 1782 N ALA A 123 -7.488 -7.591 -4.031 1.00 0.00 N ATOM 1783 CA ALA A 123 -6.353 -7.172 -4.824 1.00 0.00 C ATOM 1784 C ALA A 123 -6.720 -5.946 -5.648 1.00 0.00 C ATOM 1785 O ALA A 123 -7.896 -5.696 -5.901 1.00 0.00 O ATOM 1786 CB ALA A 123 -5.961 -8.304 -5.772 1.00 0.00 C ATOM 0 H ALA A 123 -7.864 -8.498 -4.306 1.00 0.00 H new ATOM 0 HA ALA A 123 -5.522 -6.929 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.106 -7.995 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.697 -9.189 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.800 -8.537 -6.427 1.00 0.00 H new ATOM 1792 N ASP A 124 -5.704 -5.217 -6.100 1.00 0.00 N ATOM 1793 CA ASP A 124 -5.851 -4.164 -7.084 1.00 0.00 C ATOM 1794 C ASP A 124 -5.693 -4.797 -8.484 1.00 0.00 C ATOM 1795 O ASP A 124 -4.824 -5.644 -8.675 1.00 0.00 O ATOM 1796 CB ASP A 124 -4.825 -3.062 -6.755 1.00 0.00 C ATOM 1797 CG ASP A 124 -3.637 -3.083 -7.690 1.00 0.00 C ATOM 1798 OD1 ASP A 124 -3.864 -2.645 -8.835 1.00 0.00 O ATOM 1799 OD2 ASP A 124 -2.542 -3.467 -7.238 1.00 0.00 O ATOM 0 H ASP A 124 -4.743 -5.348 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.832 -3.688 -7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -5.311 -2.088 -6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.479 -3.186 -5.729 1.00 0.00 H new ATOM 1804 N ASP A 125 -6.515 -4.391 -9.459 1.00 0.00 N ATOM 1805 CA ASP A 125 -6.522 -4.893 -10.840 1.00 0.00 C ATOM 1806 C ASP A 125 -5.255 -4.549 -11.640 1.00 0.00 C ATOM 1807 O ASP A 125 -5.271 -4.630 -12.871 1.00 0.00 O ATOM 1808 CB ASP A 125 -7.738 -4.324 -11.610 1.00 0.00 C ATOM 1809 CG ASP A 125 -9.076 -4.990 -11.347 1.00 0.00 C ATOM 1810 OD1 ASP A 125 -9.099 -6.044 -10.678 1.00 0.00 O ATOM 1811 OD2 ASP A 125 -10.057 -4.425 -11.881 1.00 0.00 O ATOM 0 H ASP A 125 -7.223 -3.674 -9.302 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.572 -5.978 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.830 -3.265 -11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.528 -4.390 -12.677 1.00 0.00 H new ATOM 1816 N LEU A 126 -4.161 -4.109 -11.012 1.00 0.00 N ATOM 1817 CA LEU A 126 -2.973 -3.656 -11.714 1.00 0.00 C ATOM 1818 C LEU A 126 -3.348 -2.562 -12.719 1.00 0.00 C ATOM 1819 O LEU A 126 -2.776 -2.454 -13.800 1.00 0.00 O ATOM 1820 CB LEU A 126 -2.239 -4.875 -12.308 1.00 0.00 C ATOM 1821 CG LEU A 126 -0.974 -5.238 -11.522 1.00 0.00 C ATOM 1822 CD1 LEU A 126 0.084 -4.184 -11.778 1.00 0.00 C ATOM 1823 CD2 LEU A 126 -1.191 -5.411 -10.011 1.00 0.00 C ATOM 0 H LEU A 126 -4.082 -4.060 -9.996 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.261 -3.184 -11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.914 -5.731 -12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.972 -4.665 -13.344 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.654 -6.216 -11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.988 -4.434 -11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.311 -4.148 -12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.285 -3.211 -11.452 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.245 -5.667 -9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -1.570 -4.480 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.913 -6.209 -9.836 1.00 0.00 H new ATOM 1835 N GLY A 127 -4.343 -1.758 -12.330 1.00 0.00 N ATOM 1836 CA GLY A 127 -4.944 -0.695 -13.114 1.00 0.00 C ATOM 1837 C GLY A 127 -5.225 -1.047 -14.568 1.00 0.00 C ATOM 1838 O GLY A 127 -5.222 -0.155 -15.411 1.00 0.00 O ATOM 0 H GLY A 127 -4.768 -1.843 -11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.880 -0.399 -12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.285 0.173 -13.087 1.00 0.00 H new ATOM 1842 N LYS A 128 -5.547 -2.310 -14.860 1.00 0.00 N ATOM 1843 CA LYS A 128 -5.853 -2.731 -16.220 1.00 0.00 C ATOM 1844 C LYS A 128 -7.208 -3.432 -16.299 1.00 0.00 C ATOM 1845 O LYS A 128 -7.433 -4.242 -17.195 1.00 0.00 O ATOM 1846 CB LYS A 128 -4.704 -3.573 -16.786 1.00 0.00 C ATOM 1847 CG LYS A 128 -4.401 -4.796 -15.914 1.00 0.00 C ATOM 1848 CD LYS A 128 -4.161 -6.030 -16.784 1.00 0.00 C ATOM 1849 CE LYS A 128 -3.682 -7.191 -15.904 1.00 0.00 C ATOM 1850 NZ LYS A 128 -3.752 -8.483 -16.614 1.00 0.00 N ATOM 0 H LYS A 128 -5.601 -3.057 -14.167 1.00 0.00 H new ATOM 0 HA LYS A 128 -5.942 -1.847 -16.851 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -4.958 -3.901 -17.794 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -3.809 -2.956 -16.868 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.523 -4.602 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -5.233 -4.980 -15.234 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -5.079 -6.307 -17.302 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.417 -5.809 -17.550 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.656 -7.006 -15.586 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -4.292 -7.239 -15.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -3.420 -9.243 -15.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -4.735 -8.672 -16.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.150 -8.447 -17.461 1.00 0.00 H new ATOM 1864 N GLY A 129 -8.152 -3.063 -15.426 1.00 0.00 N ATOM 1865 CA GLY A 129 -9.532 -3.518 -15.533 1.00 0.00 C ATOM 1866 C GLY A 129 -10.351 -2.594 -16.439 1.00 0.00 C ATOM 1867 O GLY A 129 -11.533 -2.393 -16.181 1.00 0.00 O ATOM 0 H GLY A 129 -7.977 -2.445 -14.633 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.553 -4.533 -15.930 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.984 -3.554 -14.542 1.00 0.00 H new ATOM 1871 N GLY A 130 -9.710 -2.016 -17.463 1.00 0.00 N ATOM 1872 CA GLY A 130 -10.272 -1.188 -18.525 1.00 0.00 C ATOM 1873 C GLY A 130 -11.498 -0.347 -18.169 1.00 0.00 C ATOM 1874 O GLY A 130 -12.490 -0.378 -18.893 1.00 0.00 O ATOM 0 H GLY A 130 -8.702 -2.128 -17.574 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -9.491 -0.516 -18.881 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.537 -1.839 -19.359 1.00 0.00 H new ATOM 1878 N ASN A 131 -11.436 0.437 -17.093 1.00 0.00 N ATOM 1879 CA ASN A 131 -12.558 1.253 -16.658 1.00 0.00 C ATOM 1880 C ASN A 131 -12.021 2.288 -15.686 1.00 0.00 C ATOM 1881 O ASN A 131 -11.227 1.920 -14.838 1.00 0.00 O ATOM 1882 CB ASN A 131 -13.670 0.333 -16.111 1.00 0.00 C ATOM 1883 CG ASN A 131 -14.409 0.943 -14.939 1.00 0.00 C ATOM 1884 OD1 ASN A 131 -13.678 1.082 -13.848 1.00 0.00 O flip ATOM 1885 ND2 ASN A 131 -15.574 1.309 -15.013 1.00 0.00 N flip ATOM 0 H ASN A 131 -10.608 0.521 -16.504 1.00 0.00 H new ATOM 0 HA ASN A 131 -13.030 1.807 -17.469 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.380 0.114 -16.909 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -13.232 -0.617 -15.804 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -16.095 1.179 -15.880 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -16.024 1.745 -14.208 1.00 0.00 H new ATOM 1892 N GLU A 132 -12.444 3.553 -15.767 1.00 0.00 N ATOM 1893 CA GLU A 132 -11.885 4.629 -14.950 1.00 0.00 C ATOM 1894 C GLU A 132 -11.673 4.198 -13.493 1.00 0.00 C ATOM 1895 O GLU A 132 -10.550 4.277 -13.003 1.00 0.00 O ATOM 1896 CB GLU A 132 -12.759 5.888 -15.098 1.00 0.00 C ATOM 1897 CG GLU A 132 -12.079 7.173 -14.589 1.00 0.00 C ATOM 1898 CD GLU A 132 -12.063 7.290 -13.073 1.00 0.00 C ATOM 1899 OE1 GLU A 132 -12.904 6.654 -12.403 1.00 0.00 O ATOM 1900 OE2 GLU A 132 -11.239 8.038 -12.516 1.00 0.00 O ATOM 0 H GLU A 132 -13.183 3.858 -16.401 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.887 4.874 -15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.021 6.017 -16.148 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.691 5.739 -14.553 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -11.054 7.203 -14.959 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.595 8.038 -15.007 1.00 0.00 H new ATOM 1907 N GLN A 133 -12.717 3.673 -12.838 1.00 0.00 N ATOM 1908 CA GLN A 133 -12.627 3.183 -11.468 1.00 0.00 C ATOM 1909 C GLN A 133 -11.454 2.201 -11.320 1.00 0.00 C ATOM 1910 O GLN A 133 -10.465 2.578 -10.730 1.00 0.00 O ATOM 1911 CB GLN A 133 -13.994 2.692 -10.942 1.00 0.00 C ATOM 1912 CG GLN A 133 -14.213 2.931 -9.432 1.00 0.00 C ATOM 1913 CD GLN A 133 -13.425 2.031 -8.493 1.00 0.00 C ATOM 1914 OE1 GLN A 133 -12.790 0.999 -9.017 1.00 0.00 O flip ATOM 1915 NE2 GLN A 133 -13.346 2.278 -7.295 1.00 0.00 N flip ATOM 0 H GLN A 133 -13.646 3.579 -13.249 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.383 4.008 -10.799 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.786 3.195 -11.497 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.088 1.626 -11.147 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.959 3.967 -9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -15.274 2.808 -9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -13.843 3.079 -6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -12.783 1.682 -6.687 1.00 0.00 H new ATOM 1924 N SER A 134 -11.505 0.958 -11.806 1.00 0.00 N ATOM 1925 CA SER A 134 -10.403 0.003 -11.856 1.00 0.00 C ATOM 1926 C SER A 134 -9.060 0.643 -12.234 1.00 0.00 C ATOM 1927 O SER A 134 -8.061 0.415 -11.559 1.00 0.00 O ATOM 1928 CB SER A 134 -10.782 -1.154 -12.796 1.00 0.00 C ATOM 1929 OG SER A 134 -11.144 -0.659 -14.066 1.00 0.00 O ATOM 0 H SER A 134 -12.365 0.573 -12.196 1.00 0.00 H new ATOM 0 HA SER A 134 -10.248 -0.387 -10.850 1.00 0.00 H new ATOM 0 HB2 SER A 134 -9.942 -1.842 -12.893 1.00 0.00 H new ATOM 0 HB3 SER A 134 -11.610 -1.720 -12.370 1.00 0.00 H new ATOM 0 HG SER A 134 -11.117 0.321 -14.055 1.00 0.00 H new ATOM 1935 N THR A 135 -9.026 1.485 -13.265 1.00 0.00 N ATOM 1936 CA THR A 135 -7.820 2.129 -13.774 1.00 0.00 C ATOM 1937 C THR A 135 -7.363 3.294 -12.875 1.00 0.00 C ATOM 1938 O THR A 135 -6.347 3.938 -13.150 1.00 0.00 O ATOM 1939 CB THR A 135 -8.084 2.537 -15.233 1.00 0.00 C ATOM 1940 OG1 THR A 135 -8.676 1.449 -15.926 1.00 0.00 O ATOM 1941 CG2 THR A 135 -6.816 2.918 -15.994 1.00 0.00 C ATOM 0 H THR A 135 -9.864 1.745 -13.785 1.00 0.00 H new ATOM 0 HA THR A 135 -6.980 1.435 -13.754 1.00 0.00 H new ATOM 0 HB THR A 135 -8.736 3.409 -15.191 1.00 0.00 H new ATOM 0 HG1 THR A 135 -8.847 1.707 -16.856 1.00 0.00 H new ATOM 0 HG21 THR A 135 -7.074 3.195 -17.016 1.00 0.00 H new ATOM 0 HG22 THR A 135 -6.335 3.762 -15.500 1.00 0.00 H new ATOM 0 HG23 THR A 135 -6.132 2.069 -16.010 1.00 0.00 H new ATOM 1949 N LYS A 136 -8.076 3.527 -11.772 1.00 0.00 N ATOM 1950 CA LYS A 136 -7.769 4.461 -10.708 1.00 0.00 C ATOM 1951 C LYS A 136 -7.568 3.708 -9.384 1.00 0.00 C ATOM 1952 O LYS A 136 -6.654 4.056 -8.642 1.00 0.00 O ATOM 1953 CB LYS A 136 -8.923 5.461 -10.615 1.00 0.00 C ATOM 1954 CG LYS A 136 -8.849 6.404 -9.409 1.00 0.00 C ATOM 1955 CD LYS A 136 -10.024 7.387 -9.459 1.00 0.00 C ATOM 1956 CE LYS A 136 -11.397 6.736 -9.186 1.00 0.00 C ATOM 1957 NZ LYS A 136 -12.453 7.420 -9.960 1.00 0.00 N ATOM 0 H LYS A 136 -8.946 3.026 -11.594 1.00 0.00 H new ATOM 0 HA LYS A 136 -6.842 4.995 -10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.944 6.058 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.862 4.910 -10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -8.879 5.831 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -7.905 6.948 -9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -9.855 8.177 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.047 7.861 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -11.366 5.680 -9.455 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.626 6.787 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -13.271 7.603 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -12.086 8.322 -10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -12.746 6.817 -10.755 1.00 0.00 H new ATOM 1971 N THR A 137 -8.418 2.728 -9.042 1.00 0.00 N ATOM 1972 CA THR A 137 -8.408 2.123 -7.703 1.00 0.00 C ATOM 1973 C THR A 137 -7.857 0.707 -7.724 1.00 0.00 C ATOM 1974 O THR A 137 -7.304 0.229 -6.733 1.00 0.00 O ATOM 1975 CB THR A 137 -9.780 2.156 -7.010 1.00 0.00 C ATOM 1976 OG1 THR A 137 -10.631 1.099 -7.410 1.00 0.00 O ATOM 1977 CG2 THR A 137 -10.488 3.498 -7.198 1.00 0.00 C ATOM 0 H THR A 137 -9.119 2.339 -9.673 1.00 0.00 H new ATOM 0 HA THR A 137 -7.738 2.746 -7.111 1.00 0.00 H new ATOM 0 HB THR A 137 -9.567 2.021 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 137 -11.046 1.320 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 137 -11.453 3.474 -6.691 1.00 0.00 H new ATOM 0 HG22 THR A 137 -9.876 4.295 -6.776 1.00 0.00 H new ATOM 0 HG23 THR A 137 -10.641 3.683 -8.261 1.00 0.00 H new ATOM 1985 N GLY A 138 -8.069 0.030 -8.849 1.00 0.00 N ATOM 1986 CA GLY A 138 -7.812 -1.376 -9.010 1.00 0.00 C ATOM 1987 C GLY A 138 -9.068 -2.185 -8.713 1.00 0.00 C ATOM 1988 O GLY A 138 -8.956 -3.389 -8.540 1.00 0.00 O ATOM 0 H GLY A 138 -8.436 0.469 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.475 -1.576 -10.027 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.008 -1.684 -8.342 1.00 0.00 H new ATOM 1992 N ASN A 139 -10.252 -1.559 -8.601 1.00 0.00 N ATOM 1993 CA ASN A 139 -11.532 -2.268 -8.525 1.00 0.00 C ATOM 1994 C ASN A 139 -11.731 -3.048 -7.230 1.00 0.00 C ATOM 1995 O ASN A 139 -12.797 -3.616 -7.022 1.00 0.00 O ATOM 1996 CB ASN A 139 -11.720 -3.220 -9.715 1.00 0.00 C ATOM 1997 CG ASN A 139 -13.176 -3.630 -9.932 1.00 0.00 C ATOM 1998 OD1 ASN A 139 -13.544 -4.790 -9.780 1.00 0.00 O ATOM 1999 ND2 ASN A 139 -14.031 -2.681 -10.309 1.00 0.00 N ATOM 0 H ASN A 139 -10.344 -0.544 -8.561 1.00 0.00 H new ATOM 0 HA ASN A 139 -12.286 -1.481 -8.552 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -11.346 -2.740 -10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -11.117 -4.114 -9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -15.010 -2.914 -10.476 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -13.707 -1.722 -10.430 1.00 0.00 H new ATOM 2006 N ALA A 140 -10.713 -3.068 -6.361 1.00 0.00 N ATOM 2007 CA ALA A 140 -10.593 -3.976 -5.236 1.00 0.00 C ATOM 2008 C ALA A 140 -11.887 -4.061 -4.428 1.00 0.00 C ATOM 2009 O ALA A 140 -12.284 -5.141 -4.005 1.00 0.00 O ATOM 2010 CB ALA A 140 -9.423 -3.516 -4.367 1.00 0.00 C ATOM 0 H ALA A 140 -9.925 -2.424 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.403 -4.983 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.317 -4.187 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -8.506 -3.529 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -9.611 -2.503 -4.010 1.00 0.00 H new ATOM 2016 N GLY A 141 -12.537 -2.917 -4.223 1.00 0.00 N ATOM 2017 CA GLY A 141 -13.835 -2.838 -3.587 1.00 0.00 C ATOM 2018 C GLY A 141 -13.685 -2.120 -2.257 1.00 0.00 C ATOM 2019 O GLY A 141 -13.131 -1.018 -2.203 1.00 0.00 O ATOM 0 H GLY A 141 -12.164 -2.009 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -14.537 -2.304 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -14.241 -3.838 -3.433 1.00 0.00 H new ATOM 2023 N SER A 142 -14.175 -2.730 -1.176 1.00 0.00 N ATOM 2024 CA SER A 142 -14.124 -2.091 0.127 1.00 0.00 C ATOM 2025 C SER A 142 -12.687 -1.992 0.645 1.00 0.00 C ATOM 2026 O SER A 142 -11.737 -2.541 0.082 1.00 0.00 O ATOM 2027 CB SER A 142 -15.075 -2.805 1.096 1.00 0.00 C ATOM 2028 OG SER A 142 -16.386 -2.336 0.856 1.00 0.00 O ATOM 0 H SER A 142 -14.606 -3.655 -1.182 1.00 0.00 H new ATOM 0 HA SER A 142 -14.471 -1.062 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.025 -3.884 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.784 -2.608 2.128 1.00 0.00 H new ATOM 0 HG SER A 142 -17.010 -2.783 1.466 1.00 0.00 H new ATOM 2034 N ARG A 143 -12.533 -1.227 1.720 1.00 0.00 N ATOM 2035 CA ARG A 143 -11.314 -1.077 2.481 1.00 0.00 C ATOM 2036 C ARG A 143 -11.426 -1.979 3.715 1.00 0.00 C ATOM 2037 O ARG A 143 -12.073 -1.585 4.680 1.00 0.00 O ATOM 2038 CB ARG A 143 -11.152 0.402 2.877 1.00 0.00 C ATOM 2039 CG ARG A 143 -11.022 1.385 1.696 1.00 0.00 C ATOM 2040 CD ARG A 143 -12.330 1.685 0.950 1.00 0.00 C ATOM 2041 NE ARG A 143 -12.295 3.007 0.297 1.00 0.00 N ATOM 2042 CZ ARG A 143 -13.297 3.512 -0.444 1.00 0.00 C ATOM 2043 NH1 ARG A 143 -14.364 2.752 -0.714 1.00 0.00 N ATOM 2044 NH2 ARG A 143 -13.237 4.758 -0.924 1.00 0.00 N ATOM 0 H ARG A 143 -13.299 -0.669 2.097 1.00 0.00 H new ATOM 0 HA ARG A 143 -10.437 -1.367 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.010 0.696 3.482 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -10.269 0.498 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -10.611 2.323 2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -10.301 0.981 0.985 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.507 0.914 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -13.165 1.647 1.650 1.00 0.00 H new ATOM 0 HE ARG A 143 -11.456 3.575 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -14.413 1.797 -0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -15.129 3.127 -1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -12.423 5.341 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -14.006 5.126 -1.485 1.00 0.00 H new ATOM 2058 N LEU A 144 -10.839 -3.188 3.693 1.00 0.00 N ATOM 2059 CA LEU A 144 -10.831 -4.062 4.875 1.00 0.00 C ATOM 2060 C LEU A 144 -10.289 -3.287 6.084 1.00 0.00 C ATOM 2061 O LEU A 144 -10.887 -3.290 7.157 1.00 0.00 O ATOM 2062 CB LEU A 144 -9.952 -5.321 4.663 1.00 0.00 C ATOM 2063 CG LEU A 144 -10.621 -6.704 4.464 1.00 0.00 C ATOM 2064 CD1 LEU A 144 -9.600 -7.773 4.845 1.00 0.00 C ATOM 2065 CD2 LEU A 144 -11.901 -6.885 5.270 1.00 0.00 C ATOM 0 H LEU A 144 -10.368 -3.578 2.877 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.858 -4.384 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.324 -5.136 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.288 -5.402 5.523 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.921 -6.789 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -10.042 -8.761 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.722 -7.682 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.306 -7.641 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -12.313 -7.876 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -11.680 -6.781 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -12.627 -6.128 4.975 1.00 0.00 H new ATOM 2077 N ALA A 145 -9.125 -2.663 5.892 1.00 0.00 N ATOM 2078 CA ALA A 145 -8.430 -1.859 6.883 1.00 0.00 C ATOM 2079 C ALA A 145 -7.894 -0.596 6.223 1.00 0.00 C ATOM 2080 O ALA A 145 -7.853 -0.496 4.995 1.00 0.00 O ATOM 2081 CB ALA A 145 -7.278 -2.665 7.496 1.00 0.00 C ATOM 0 H ALA A 145 -8.626 -2.710 5.004 1.00 0.00 H new ATOM 0 HA ALA A 145 -9.123 -1.582 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.762 -2.056 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.675 -3.560 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.578 -2.953 6.712 1.00 0.00 H new ATOM 2087 N CYS A 146 -7.457 0.340 7.059 1.00 0.00 N ATOM 2088 CA CYS A 146 -7.029 1.680 6.717 1.00 0.00 C ATOM 2089 C CYS A 146 -6.136 2.150 7.864 1.00 0.00 C ATOM 2090 O CYS A 146 -6.239 1.632 8.977 1.00 0.00 O ATOM 2091 CB CYS A 146 -8.259 2.579 6.470 1.00 0.00 C ATOM 2092 SG CYS A 146 -9.794 2.170 7.353 1.00 0.00 S ATOM 0 H CYS A 146 -7.390 0.164 8.061 1.00 0.00 H new ATOM 0 HA CYS A 146 -6.459 1.720 5.789 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -7.985 3.602 6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -8.473 2.568 5.401 1.00 0.00 H new ATOM 0 HG CYS A 146 -10.720 3.024 7.032 1.00 0.00 H new ATOM 2097 N GLY A 147 -5.197 3.057 7.600 1.00 0.00 N ATOM 2098 CA GLY A 147 -4.322 3.593 8.631 1.00 0.00 C ATOM 2099 C GLY A 147 -3.703 4.883 8.118 1.00 0.00 C ATOM 2100 O GLY A 147 -3.953 5.254 6.973 1.00 0.00 O ATOM 0 H GLY A 147 -5.025 3.437 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -4.885 3.781 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.543 2.872 8.879 1.00 0.00 H new ATOM 2104 N VAL A 148 -2.888 5.555 8.933 1.00 0.00 N ATOM 2105 CA VAL A 148 -2.204 6.776 8.530 1.00 0.00 C ATOM 2106 C VAL A 148 -0.710 6.624 8.761 1.00 0.00 C ATOM 2107 O VAL A 148 -0.292 5.913 9.676 1.00 0.00 O ATOM 2108 CB VAL A 148 -2.798 8.005 9.233 1.00 0.00 C ATOM 2109 CG1 VAL A 148 -4.297 8.091 8.928 1.00 0.00 C ATOM 2110 CG2 VAL A 148 -2.562 7.999 10.749 1.00 0.00 C ATOM 0 H VAL A 148 -2.686 5.265 9.890 1.00 0.00 H new ATOM 0 HA VAL A 148 -2.356 6.942 7.464 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.284 8.884 8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.720 8.963 9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.445 8.181 7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.794 7.190 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -3.005 8.892 11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.023 7.113 11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.491 7.988 10.950 1.00 0.00 H new ATOM 2120 N ILE A 149 0.085 7.252 7.898 1.00 0.00 N ATOM 2121 CA ILE A 149 1.532 7.153 7.926 1.00 0.00 C ATOM 2122 C ILE A 149 2.049 8.242 8.862 1.00 0.00 C ATOM 2123 O ILE A 149 1.789 9.420 8.628 1.00 0.00 O ATOM 2124 CB ILE A 149 2.055 7.293 6.487 1.00 0.00 C ATOM 2125 CG1 ILE A 149 1.555 6.130 5.607 1.00 0.00 C ATOM 2126 CG2 ILE A 149 3.588 7.340 6.460 1.00 0.00 C ATOM 2127 CD1 ILE A 149 1.525 6.510 4.127 1.00 0.00 C ATOM 0 H ILE A 149 -0.268 7.851 7.152 1.00 0.00 H new ATOM 0 HA ILE A 149 1.883 6.192 8.302 1.00 0.00 H new ATOM 0 HB ILE A 149 1.670 8.231 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.202 5.264 5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.555 5.836 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 149 3.931 7.439 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 149 3.936 8.193 7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.988 6.421 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.167 5.663 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 149 0.857 7.359 3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.529 6.779 3.800 1.00 0.00 H new ATOM 2139 N GLY A 150 2.766 7.861 9.920 1.00 0.00 N ATOM 2140 CA GLY A 150 3.283 8.774 10.925 1.00 0.00 C ATOM 2141 C GLY A 150 4.736 8.439 11.236 1.00 0.00 C ATOM 2142 O GLY A 150 5.322 7.545 10.631 1.00 0.00 O ATOM 0 H GLY A 150 3.006 6.886 10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.206 9.801 10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 150 2.683 8.706 11.833 1.00 0.00 H new ATOM 2146 N ILE A 151 5.322 9.169 12.179 1.00 0.00 N ATOM 2147 CA ILE A 151 6.683 8.973 12.649 1.00 0.00 C ATOM 2148 C ILE A 151 6.713 7.674 13.455 1.00 0.00 C ATOM 2149 O ILE A 151 5.795 7.412 14.228 1.00 0.00 O ATOM 2150 CB ILE A 151 7.109 10.167 13.526 1.00 0.00 C ATOM 2151 CG1 ILE A 151 6.869 11.521 12.828 1.00 0.00 C ATOM 2152 CG2 ILE A 151 8.588 10.038 13.922 1.00 0.00 C ATOM 2153 CD1 ILE A 151 7.036 12.703 13.791 1.00 0.00 C ATOM 0 H ILE A 151 4.845 9.937 12.651 1.00 0.00 H new ATOM 0 HA ILE A 151 7.377 8.908 11.811 1.00 0.00 H new ATOM 0 HB ILE A 151 6.487 10.144 14.421 1.00 0.00 H new ATOM 0 HG12 ILE A 151 7.567 11.629 11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 151 5.865 11.537 12.405 1.00 0.00 H new ATOM 0 HG21 ILE A 151 8.874 10.888 14.541 1.00 0.00 H new ATOM 0 HG22 ILE A 151 8.735 9.115 14.483 1.00 0.00 H new ATOM 0 HG23 ILE A 151 9.205 10.019 13.024 1.00 0.00 H new ATOM 0 HD11 ILE A 151 6.858 13.636 13.256 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.320 12.611 14.608 1.00 0.00 H new ATOM 0 HD13 ILE A 151 8.049 12.704 14.194 1.00 0.00 H new ATOM 2165 N ALA A 152 7.762 6.869 13.291 1.00 0.00 N ATOM 2166 CA ALA A 152 7.966 5.700 14.138 1.00 0.00 C ATOM 2167 C ALA A 152 8.614 6.139 15.450 1.00 0.00 C ATOM 2168 O ALA A 152 9.835 6.292 15.525 1.00 0.00 O ATOM 2169 CB ALA A 152 8.810 4.638 13.429 1.00 0.00 C ATOM 0 H ALA A 152 8.481 7.006 12.581 1.00 0.00 H new ATOM 0 HA ALA A 152 7.000 5.243 14.352 1.00 0.00 H new ATOM 0 HB1 ALA A 152 8.943 3.780 14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 152 8.304 4.320 12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 152 9.784 5.056 13.177 1.00 0.00 H new ATOM 2175 N GLN A 153 7.804 6.347 16.485 1.00 0.00 N ATOM 2176 CA GLN A 153 8.272 6.572 17.833 1.00 0.00 C ATOM 2177 C GLN A 153 7.083 6.330 18.757 1.00 0.00 C ATOM 2178 O GLN A 153 5.995 6.064 18.197 1.00 0.00 O ATOM 2179 CB GLN A 153 8.843 7.993 17.969 1.00 0.00 C ATOM 2180 CG GLN A 153 9.912 8.067 19.071 1.00 0.00 C ATOM 2181 CD GLN A 153 11.117 8.893 18.634 1.00 0.00 C ATOM 2182 OE1 GLN A 153 11.465 9.890 19.256 1.00 0.00 O ATOM 2183 NE2 GLN A 153 11.775 8.478 17.552 1.00 0.00 N ATOM 2184 OXT GLN A 153 7.285 6.412 19.988 1.00 0.00 O ATOM 0 H GLN A 153 6.788 6.362 16.400 1.00 0.00 H new ATOM 0 HA GLN A 153 9.084 5.895 18.098 1.00 0.00 H new ATOM 0 HB2 GLN A 153 9.276 8.305 17.019 1.00 0.00 H new ATOM 0 HB3 GLN A 153 8.036 8.690 18.196 1.00 0.00 H new ATOM 0 HG2 GLN A 153 9.478 8.504 19.970 1.00 0.00 H new ATOM 0 HG3 GLN A 153 10.237 7.060 19.331 1.00 0.00 H new ATOM 0 HE21 GLN A 153 11.463 7.644 17.054 1.00 0.00 H new ATOM 0 HE22 GLN A 153 12.591 8.994 17.222 1.00 0.00 H new