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 : amide:sc= -0.0422 K(o=1.3,f=0.76) USER MOD Set 1.2: A 137 THR OG1 : rot -56:sc= 1.35 USER MOD Set 2.1: A 131 ASN :FLIP amide:sc= 1.17 F(o=-4.4!,f=2.5) USER MOD Set 2.2: A 134 SER OG : rot -64:sc= 1.29 USER MOD Set 2.3: A 135 THR OG1 : rot 180:sc= 0.0114 USER MOD Set 3.1: A 46 HIS : +bothHN:sc= -3.05 K(o=-8.8,f=-18!) USER MOD Set 3.2: A 48 HIS :FLIP no HD1:sc= -0.134 X(o=-9.3,f=-8.8) USER MOD Set 3.3: A 63 HIS : no HE2:sc= -3.79 K(o=-8.8,f=-11!) USER MOD Set 3.4: A 71 HIS : no HD1:sc= -1.87! C(o=-8.8!,f=-17!) USER MOD Set 3.5: A 80 HIS : no HD1:sc= -0.441 K(o=-8.8,f=-10) USER MOD Set 3.6: A 120 HIS : no HE2:sc= 0.482 K(o=-8.8,f=-14!) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.03) USER MOD Single : A 9 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00712) USER MOD Single : A 15 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.3) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 0.852 (180deg=-1.3!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0083 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : +bothHN:sc= -2.97! C(o=-3!,f=-13!) USER MOD Single : A 65 ASN : amide:sc= 0.191 K(o=0.19,f=-9.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 1.33 (180deg=1.05) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.3) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 53:sc= 0.0177 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 28:sc= 1.16 USER MOD Single : A 110 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.59) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0891 USER MOD Single : A 122 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00992) USER MOD Single : A 128 LYS NZ :NH3+ -173:sc= 1.2 (180deg=0.99) USER MOD Single : A 136 LYS NZ :NH3+ -155:sc= 1.19 (180deg=1.07) USER MOD Single : A 139 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot -20:sc= 0.278 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 12.561 7.148 9.744 1.00 0.00 N ATOM 28 CA LYS A 3 11.765 5.943 9.917 1.00 0.00 C ATOM 29 C LYS A 3 10.325 6.343 10.290 1.00 0.00 C ATOM 30 O LYS A 3 10.118 7.123 11.221 1.00 0.00 O ATOM 31 CB LYS A 3 12.415 5.050 10.995 1.00 0.00 C ATOM 32 CG LYS A 3 12.442 3.572 10.581 1.00 0.00 C ATOM 33 CD LYS A 3 13.257 2.746 11.589 1.00 0.00 C ATOM 34 CE LYS A 3 13.383 1.276 11.147 1.00 0.00 C ATOM 35 NZ LYS A 3 14.769 0.773 11.245 1.00 0.00 N ATOM 0 HA LYS A 3 11.727 5.369 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.433 5.392 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.866 5.154 11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.424 3.186 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.877 3.475 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.251 3.180 11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.780 2.793 12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.731 0.657 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.036 1.178 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.817 -0.191 10.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.403 1.395 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.064 0.760 12.242 1.00 0.00 H new ATOM 49 N ALA A 4 9.340 5.828 9.554 1.00 0.00 N ATOM 50 CA ALA A 4 7.913 6.065 9.748 1.00 0.00 C ATOM 51 C ALA A 4 7.194 4.741 9.950 1.00 0.00 C ATOM 52 O ALA A 4 7.746 3.685 9.638 1.00 0.00 O ATOM 53 CB ALA A 4 7.347 6.799 8.540 1.00 0.00 C ATOM 0 H ALA A 4 9.527 5.204 8.769 1.00 0.00 H new ATOM 0 HA ALA A 4 7.764 6.681 10.635 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.281 6.975 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.859 7.754 8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.495 6.195 7.645 1.00 0.00 H new ATOM 59 N VAL A 5 5.968 4.813 10.462 1.00 0.00 N ATOM 60 CA VAL A 5 5.091 3.693 10.731 1.00 0.00 C ATOM 61 C VAL A 5 3.701 4.058 10.206 1.00 0.00 C ATOM 62 O VAL A 5 3.350 5.240 10.199 1.00 0.00 O ATOM 63 CB VAL A 5 5.107 3.397 12.247 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.348 4.451 13.065 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.557 2.006 12.579 1.00 0.00 C ATOM 0 H VAL A 5 5.543 5.706 10.711 1.00 0.00 H new ATOM 0 HA VAL A 5 5.416 2.782 10.229 1.00 0.00 H new ATOM 0 HB VAL A 5 6.159 3.433 12.529 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.392 4.192 14.123 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.805 5.429 12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.307 4.482 12.742 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.591 1.849 13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.526 1.930 12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.162 1.247 12.083 1.00 0.00 H new ATOM 75 N ALA A 6 2.903 3.075 9.777 1.00 0.00 N ATOM 76 CA ALA A 6 1.465 3.275 9.641 1.00 0.00 C ATOM 77 C ALA A 6 0.756 2.070 10.236 1.00 0.00 C ATOM 78 O ALA A 6 0.931 0.951 9.759 1.00 0.00 O ATOM 79 CB ALA A 6 1.068 3.516 8.184 1.00 0.00 C ATOM 0 H ALA A 6 3.229 2.143 9.521 1.00 0.00 H new ATOM 0 HA ALA A 6 1.164 4.171 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.010 3.661 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.576 4.405 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.355 2.654 7.581 1.00 0.00 H new ATOM 85 N VAL A 7 -0.006 2.280 11.308 1.00 0.00 N ATOM 86 CA VAL A 7 -0.778 1.230 11.923 1.00 0.00 C ATOM 87 C VAL A 7 -2.137 1.150 11.219 1.00 0.00 C ATOM 88 O VAL A 7 -3.048 1.932 11.478 1.00 0.00 O ATOM 89 CB VAL A 7 -0.810 1.407 13.449 1.00 0.00 C ATOM 90 CG1 VAL A 7 0.590 1.734 13.991 1.00 0.00 C ATOM 91 CG2 VAL A 7 -1.802 2.448 13.989 1.00 0.00 C ATOM 0 H VAL A 7 -0.098 3.187 11.766 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.318 0.251 11.791 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.166 0.442 13.809 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.542 1.855 15.073 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.274 0.921 13.747 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.949 2.658 13.538 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.735 2.485 15.076 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.561 3.428 13.577 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.815 2.171 13.697 1.00 0.00 H new ATOM 101 N LEU A 8 -2.261 0.218 10.278 1.00 0.00 N ATOM 102 CA LEU A 8 -3.529 -0.131 9.680 1.00 0.00 C ATOM 103 C LEU A 8 -4.454 -0.698 10.748 1.00 0.00 C ATOM 104 O LEU A 8 -3.989 -1.419 11.633 1.00 0.00 O ATOM 105 CB LEU A 8 -3.310 -1.126 8.538 1.00 0.00 C ATOM 106 CG LEU A 8 -3.129 -0.410 7.195 1.00 0.00 C ATOM 107 CD1 LEU A 8 -1.816 0.382 7.163 1.00 0.00 C ATOM 108 CD2 LEU A 8 -3.136 -1.470 6.097 1.00 0.00 C ATOM 0 H LEU A 8 -1.473 -0.316 9.912 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.999 0.758 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.431 -1.735 8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.161 -1.805 8.478 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.940 0.303 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.715 0.879 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.822 1.128 7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.977 -0.298 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.009 -0.990 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.319 -2.172 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.085 -2.006 6.115 1.00 0.00 H new ATOM 120 N LYS A 9 -5.746 -0.374 10.649 1.00 0.00 N ATOM 121 CA LYS A 9 -6.810 -0.849 11.513 1.00 0.00 C ATOM 122 C LYS A 9 -8.111 -0.788 10.713 1.00 0.00 C ATOM 123 O LYS A 9 -8.288 0.134 9.921 1.00 0.00 O ATOM 124 CB LYS A 9 -6.857 0.021 12.782 1.00 0.00 C ATOM 125 CG LYS A 9 -7.005 -0.854 14.032 1.00 0.00 C ATOM 126 CD LYS A 9 -6.576 -0.090 15.295 1.00 0.00 C ATOM 127 CE LYS A 9 -5.985 -1.052 16.335 1.00 0.00 C ATOM 128 NZ LYS A 9 -6.967 -2.057 16.792 1.00 0.00 N ATOM 0 H LYS A 9 -6.087 0.259 9.925 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.647 -1.877 11.838 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.947 0.617 12.855 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.692 0.719 12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.041 -1.177 14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.399 -1.754 13.924 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.839 0.669 15.034 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.434 0.431 15.720 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.121 -1.560 15.907 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.627 -0.482 17.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.538 -2.651 17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.803 -1.574 17.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.252 -2.654 15.989 1.00 0.00 H new ATOM 142 N GLY A 10 -8.995 -1.775 10.856 1.00 0.00 N ATOM 143 CA GLY A 10 -10.254 -1.800 10.127 1.00 0.00 C ATOM 144 C GLY A 10 -11.422 -2.034 11.067 1.00 0.00 C ATOM 145 O GLY A 10 -11.310 -1.826 12.273 1.00 0.00 O ATOM 0 H GLY A 10 -8.856 -2.572 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.391 -0.857 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.226 -2.587 9.373 1.00 0.00 H new ATOM 149 N ASP A 11 -12.542 -2.470 10.490 1.00 0.00 N ATOM 150 CA ASP A 11 -13.767 -2.725 11.229 1.00 0.00 C ATOM 151 C ASP A 11 -13.569 -3.904 12.185 1.00 0.00 C ATOM 152 O ASP A 11 -14.046 -3.892 13.318 1.00 0.00 O ATOM 153 CB ASP A 11 -14.907 -2.990 10.235 1.00 0.00 C ATOM 154 CG ASP A 11 -16.240 -2.542 10.813 1.00 0.00 C ATOM 155 OD1 ASP A 11 -16.459 -1.312 10.820 1.00 0.00 O ATOM 156 OD2 ASP A 11 -17.015 -3.433 11.220 1.00 0.00 O ATOM 0 H ASP A 11 -12.620 -2.656 9.490 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.028 -1.855 11.832 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.713 -2.460 9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.948 -4.053 9.996 1.00 0.00 H new ATOM 161 N GLY A 12 -12.829 -4.920 11.724 1.00 0.00 N ATOM 162 CA GLY A 12 -12.477 -6.079 12.510 1.00 0.00 C ATOM 163 C GLY A 12 -11.084 -5.889 13.108 1.00 0.00 C ATOM 164 O GLY A 12 -10.527 -4.792 13.086 1.00 0.00 O ATOM 0 H GLY A 12 -12.458 -4.947 10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.208 -6.227 13.305 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -12.497 -6.973 11.887 1.00 0.00 H new ATOM 168 N PRO A 13 -10.481 -6.972 13.610 1.00 0.00 N ATOM 169 CA PRO A 13 -9.198 -6.921 14.279 1.00 0.00 C ATOM 170 C PRO A 13 -8.040 -6.786 13.287 1.00 0.00 C ATOM 171 O PRO A 13 -6.909 -6.592 13.724 1.00 0.00 O ATOM 172 CB PRO A 13 -9.127 -8.212 15.098 1.00 0.00 C ATOM 173 CG PRO A 13 -9.978 -9.196 14.292 1.00 0.00 C ATOM 174 CD PRO A 13 -11.021 -8.317 13.592 1.00 0.00 C ATOM 0 HA PRO A 13 -9.105 -6.043 14.918 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.101 -8.563 15.205 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.522 -8.071 16.104 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.373 -9.745 13.571 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.451 -9.934 14.939 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.195 -8.655 12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.979 -8.360 14.109 1.00 0.00 H new ATOM 182 N VAL A 14 -8.323 -6.867 11.976 1.00 0.00 N ATOM 183 CA VAL A 14 -7.412 -6.552 10.896 1.00 0.00 C ATOM 184 C VAL A 14 -6.563 -5.340 11.241 1.00 0.00 C ATOM 185 O VAL A 14 -7.053 -4.211 11.259 1.00 0.00 O ATOM 186 CB VAL A 14 -8.196 -6.368 9.588 1.00 0.00 C ATOM 187 CG1 VAL A 14 -8.660 -7.727 9.076 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.393 -5.419 9.657 1.00 0.00 C ATOM 0 H VAL A 14 -9.238 -7.169 11.640 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.722 -7.383 10.752 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.493 -5.892 8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.216 -7.596 8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.793 -8.362 8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.303 -8.196 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.871 -5.365 8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.109 -5.789 10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.053 -4.426 9.950 1.00 0.00 H new ATOM 198 N GLN A 15 -5.292 -5.599 11.532 1.00 0.00 N ATOM 199 CA GLN A 15 -4.320 -4.571 11.833 1.00 0.00 C ATOM 200 C GLN A 15 -3.166 -4.717 10.858 1.00 0.00 C ATOM 201 O GLN A 15 -2.991 -5.791 10.285 1.00 0.00 O ATOM 202 CB GLN A 15 -3.890 -4.669 13.303 1.00 0.00 C ATOM 203 CG GLN A 15 -3.060 -5.929 13.600 1.00 0.00 C ATOM 204 CD GLN A 15 -3.255 -6.453 15.021 1.00 0.00 C ATOM 205 OE1 GLN A 15 -3.282 -7.658 15.249 1.00 0.00 O ATOM 206 NE2 GLN A 15 -3.375 -5.560 16.000 1.00 0.00 N ATOM 0 H GLN A 15 -4.910 -6.544 11.564 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.742 -3.574 11.710 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.308 -3.786 13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.777 -4.666 13.937 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.331 -6.711 12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.005 -5.707 13.442 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.350 -4.563 15.787 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.492 -5.873 16.964 1.00 0.00 H new ATOM 215 N GLY A 16 -2.379 -3.662 10.660 1.00 0.00 N ATOM 216 CA GLY A 16 -1.151 -3.796 9.888 1.00 0.00 C ATOM 217 C GLY A 16 -0.068 -2.832 10.319 1.00 0.00 C ATOM 218 O GLY A 16 -0.222 -1.628 10.177 1.00 0.00 O ATOM 0 H GLY A 16 -2.565 -2.724 11.016 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.779 -4.816 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.373 -3.635 8.833 1.00 0.00 H new ATOM 222 N ILE A 17 1.040 -3.362 10.828 1.00 0.00 N ATOM 223 CA ILE A 17 2.182 -2.575 11.230 1.00 0.00 C ATOM 224 C ILE A 17 3.019 -2.356 9.971 1.00 0.00 C ATOM 225 O ILE A 17 3.830 -3.210 9.614 1.00 0.00 O ATOM 226 CB ILE A 17 2.940 -3.303 12.357 1.00 0.00 C ATOM 227 CG1 ILE A 17 2.018 -3.700 13.530 1.00 0.00 C ATOM 228 CG2 ILE A 17 4.050 -2.385 12.882 1.00 0.00 C ATOM 229 CD1 ILE A 17 1.437 -5.116 13.404 1.00 0.00 C ATOM 0 H ILE A 17 1.163 -4.364 10.971 1.00 0.00 H new ATOM 0 HA ILE A 17 1.906 -1.605 11.642 1.00 0.00 H new ATOM 0 HB ILE A 17 3.352 -4.221 11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.579 -3.628 14.462 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.198 -2.985 13.595 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.593 -2.891 13.680 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.738 -2.145 12.071 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.610 -1.466 13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.800 -5.326 14.263 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.848 -5.188 12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.250 -5.841 13.370 1.00 0.00 H new ATOM 241 N ILE A 18 2.777 -1.242 9.271 1.00 0.00 N ATOM 242 CA ILE A 18 3.616 -0.775 8.172 1.00 0.00 C ATOM 243 C ILE A 18 4.787 -0.019 8.771 1.00 0.00 C ATOM 244 O ILE A 18 4.586 0.713 9.737 1.00 0.00 O ATOM 245 CB ILE A 18 2.806 0.151 7.258 1.00 0.00 C ATOM 246 CG1 ILE A 18 1.687 -0.627 6.553 1.00 0.00 C ATOM 247 CG2 ILE A 18 3.674 0.928 6.260 1.00 0.00 C ATOM 248 CD1 ILE A 18 2.225 -1.345 5.318 1.00 0.00 C ATOM 0 H ILE A 18 1.980 -0.634 9.458 1.00 0.00 H new ATOM 0 HA ILE A 18 3.973 -1.617 7.579 1.00 0.00 H new ATOM 0 HB ILE A 18 2.350 0.906 7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.252 -1.352 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.889 0.056 6.264 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.039 1.564 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.389 1.546 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.212 0.226 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.416 -1.891 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.637 -0.614 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.007 -2.044 5.615 1.00 0.00 H new ATOM 260 N ASN A 19 5.974 -0.156 8.176 1.00 0.00 N ATOM 261 CA ASN A 19 7.160 0.602 8.538 1.00 0.00 C ATOM 262 C ASN A 19 7.807 1.079 7.247 1.00 0.00 C ATOM 263 O ASN A 19 7.929 0.300 6.306 1.00 0.00 O ATOM 264 CB ASN A 19 8.160 -0.250 9.327 1.00 0.00 C ATOM 265 CG ASN A 19 7.515 -1.061 10.447 1.00 0.00 C ATOM 266 OD1 ASN A 19 7.218 -2.236 10.274 1.00 0.00 O ATOM 267 ND2 ASN A 19 7.308 -0.457 11.614 1.00 0.00 N ATOM 0 H ASN A 19 6.134 -0.813 7.413 1.00 0.00 H new ATOM 0 HA ASN A 19 6.873 1.438 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.667 -0.930 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.924 0.401 9.753 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.893 -0.974 12.389 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.564 0.523 11.733 1.00 0.00 H new ATOM 274 N PHE A 20 8.244 2.333 7.202 1.00 0.00 N ATOM 275 CA PHE A 20 9.021 2.858 6.088 1.00 0.00 C ATOM 276 C PHE A 20 10.355 3.315 6.652 1.00 0.00 C ATOM 277 O PHE A 20 10.350 4.079 7.614 1.00 0.00 O ATOM 278 CB PHE A 20 8.306 4.032 5.418 1.00 0.00 C ATOM 279 CG PHE A 20 6.830 3.827 5.157 1.00 0.00 C ATOM 280 CD1 PHE A 20 5.893 4.201 6.135 1.00 0.00 C ATOM 281 CD2 PHE A 20 6.389 3.337 3.916 1.00 0.00 C ATOM 282 CE1 PHE A 20 4.524 4.184 5.834 1.00 0.00 C ATOM 283 CE2 PHE A 20 5.017 3.333 3.610 1.00 0.00 C ATOM 284 CZ PHE A 20 4.092 3.818 4.549 1.00 0.00 C ATOM 0 H PHE A 20 8.068 3.015 7.940 1.00 0.00 H new ATOM 0 HA PHE A 20 9.155 2.088 5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.428 4.916 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.800 4.243 4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.227 4.501 7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.104 2.964 3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.801 4.452 6.590 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.675 2.958 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.049 3.909 4.283 1.00 0.00 H new ATOM 294 N GLU A 21 11.475 2.871 6.084 1.00 0.00 N ATOM 295 CA GLU A 21 12.797 3.373 6.438 1.00 0.00 C ATOM 296 C GLU A 21 13.397 4.023 5.201 1.00 0.00 C ATOM 297 O GLU A 21 13.183 3.524 4.096 1.00 0.00 O ATOM 298 CB GLU A 21 13.687 2.225 6.933 1.00 0.00 C ATOM 299 CG GLU A 21 15.034 2.735 7.470 1.00 0.00 C ATOM 300 CD GLU A 21 15.894 1.593 7.981 1.00 0.00 C ATOM 301 OE1 GLU A 21 16.250 0.728 7.159 1.00 0.00 O ATOM 302 OE2 GLU A 21 16.141 1.585 9.208 1.00 0.00 O ATOM 0 H GLU A 21 11.489 2.150 5.363 1.00 0.00 H new ATOM 0 HA GLU A 21 12.723 4.103 7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.168 1.676 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.863 1.524 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.564 3.267 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.860 3.450 8.274 1.00 0.00 H new ATOM 395 N PRO A 28 16.916 5.156 -1.887 1.00 0.00 N ATOM 396 CA PRO A 28 15.717 4.353 -2.029 1.00 0.00 C ATOM 397 C PRO A 28 15.073 4.143 -0.657 1.00 0.00 C ATOM 398 O PRO A 28 15.736 3.718 0.288 1.00 0.00 O ATOM 399 CB PRO A 28 16.180 3.042 -2.667 1.00 0.00 C ATOM 400 CG PRO A 28 17.637 2.918 -2.217 1.00 0.00 C ATOM 401 CD PRO A 28 18.112 4.371 -2.147 1.00 0.00 C ATOM 0 HA PRO A 28 14.956 4.826 -2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.582 2.197 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.097 3.074 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.718 2.422 -1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.228 2.336 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 28 18.850 4.505 -1.356 1.00 0.00 H new ATOM 0 HD3 PRO A 28 18.586 4.675 -3.080 1.00 0.00 H new ATOM 409 N VAL A 29 13.776 4.428 -0.543 1.00 0.00 N ATOM 410 CA VAL A 29 12.997 4.057 0.617 1.00 0.00 C ATOM 411 C VAL A 29 12.834 2.544 0.599 1.00 0.00 C ATOM 412 O VAL A 29 12.665 1.968 -0.472 1.00 0.00 O ATOM 413 CB VAL A 29 11.629 4.754 0.541 1.00 0.00 C ATOM 414 CG1 VAL A 29 10.607 4.130 1.490 1.00 0.00 C ATOM 415 CG2 VAL A 29 11.784 6.217 0.927 1.00 0.00 C ATOM 0 H VAL A 29 13.244 4.923 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 29 13.488 4.361 1.542 1.00 0.00 H new ATOM 0 HB VAL A 29 11.271 4.643 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.657 4.657 1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.465 3.080 1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.968 4.207 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.814 6.712 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.171 6.286 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.478 6.703 0.241 1.00 0.00 H new ATOM 425 N LYS A 30 12.821 1.938 1.785 1.00 0.00 N ATOM 426 CA LYS A 30 12.291 0.611 2.034 1.00 0.00 C ATOM 427 C LYS A 30 10.894 0.779 2.630 1.00 0.00 C ATOM 428 O LYS A 30 10.741 1.428 3.666 1.00 0.00 O ATOM 429 CB LYS A 30 13.184 -0.139 3.030 1.00 0.00 C ATOM 430 CG LYS A 30 14.106 -1.188 2.400 1.00 0.00 C ATOM 431 CD LYS A 30 15.338 -0.590 1.710 1.00 0.00 C ATOM 432 CE LYS A 30 16.409 -1.675 1.493 1.00 0.00 C ATOM 433 NZ LYS A 30 16.030 -2.685 0.482 1.00 0.00 N ATOM 0 H LYS A 30 13.194 2.379 2.625 1.00 0.00 H new ATOM 0 HA LYS A 30 12.255 0.039 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.795 0.587 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.549 -0.629 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.435 -1.882 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.538 -1.768 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.052 -0.156 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.747 0.218 2.317 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.341 -1.199 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.604 -2.177 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.540 -3.572 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.006 -2.858 0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.277 -2.337 -0.466 1.00 0.00 H new ATOM 447 N VAL A 31 9.897 0.172 1.983 1.00 0.00 N ATOM 448 CA VAL A 31 8.535 -0.003 2.454 1.00 0.00 C ATOM 449 C VAL A 31 8.425 -1.434 2.974 1.00 0.00 C ATOM 450 O VAL A 31 8.546 -2.387 2.205 1.00 0.00 O ATOM 451 CB VAL A 31 7.569 0.216 1.277 1.00 0.00 C ATOM 452 CG1 VAL A 31 6.125 -0.196 1.604 1.00 0.00 C ATOM 453 CG2 VAL A 31 7.597 1.671 0.801 1.00 0.00 C ATOM 0 H VAL A 31 10.036 -0.234 1.058 1.00 0.00 H new ATOM 0 HA VAL A 31 8.284 0.707 3.242 1.00 0.00 H new ATOM 0 HB VAL A 31 7.922 -0.433 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.490 -0.018 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.098 -1.255 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.761 0.392 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.904 1.795 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.302 2.327 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.605 1.928 0.476 1.00 0.00 H new ATOM 463 N TRP A 32 8.173 -1.583 4.270 1.00 0.00 N ATOM 464 CA TRP A 32 7.885 -2.858 4.901 1.00 0.00 C ATOM 465 C TRP A 32 6.495 -2.813 5.513 1.00 0.00 C ATOM 466 O TRP A 32 5.959 -1.742 5.798 1.00 0.00 O ATOM 467 CB TRP A 32 8.897 -3.140 6.012 1.00 0.00 C ATOM 468 CG TRP A 32 10.152 -3.837 5.619 1.00 0.00 C ATOM 469 CD1 TRP A 32 10.242 -5.153 5.339 1.00 0.00 C ATOM 470 CD2 TRP A 32 11.517 -3.336 5.622 1.00 0.00 C ATOM 471 NE1 TRP A 32 11.553 -5.484 5.074 1.00 0.00 N ATOM 472 CE2 TRP A 32 12.391 -4.406 5.269 1.00 0.00 C ATOM 473 CE3 TRP A 32 12.109 -2.096 5.938 1.00 0.00 C ATOM 474 CZ2 TRP A 32 13.783 -4.248 5.210 1.00 0.00 C ATOM 475 CZ3 TRP A 32 13.504 -1.934 5.913 1.00 0.00 C ATOM 476 CH2 TRP A 32 14.342 -3.008 5.560 1.00 0.00 C ATOM 0 H TRP A 32 8.164 -0.800 4.923 1.00 0.00 H new ATOM 0 HA TRP A 32 7.944 -3.643 4.147 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.167 -2.190 6.474 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.402 -3.738 6.778 1.00 0.00 H new ATOM 0 HD1 TRP A 32 9.412 -5.843 5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 32 11.864 -6.407 4.772 1.00 0.00 H new ATOM 0 HE3 TRP A 32 11.481 -1.259 6.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 14.415 -5.067 4.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.937 -0.978 6.167 1.00 0.00 H new ATOM 0 HH2 TRP A 32 15.414 -2.879 5.558 1.00 0.00 H new ATOM 487 N GLY A 33 5.929 -3.987 5.775 1.00 0.00 N ATOM 488 CA GLY A 33 4.719 -4.067 6.560 1.00 0.00 C ATOM 489 C GLY A 33 4.425 -5.484 6.980 1.00 0.00 C ATOM 490 O GLY A 33 5.183 -6.379 6.619 1.00 0.00 O ATOM 0 H GLY A 33 6.291 -4.885 5.455 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.816 -3.437 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.882 -3.677 5.981 1.00 0.00 H new ATOM 494 N SER A 34 3.343 -5.664 7.742 1.00 0.00 N ATOM 495 CA SER A 34 3.001 -6.922 8.368 1.00 0.00 C ATOM 496 C SER A 34 1.545 -6.820 8.817 1.00 0.00 C ATOM 497 O SER A 34 1.252 -6.240 9.865 1.00 0.00 O ATOM 498 CB SER A 34 3.983 -7.194 9.515 1.00 0.00 C ATOM 499 OG SER A 34 4.123 -6.070 10.374 1.00 0.00 O ATOM 0 H SER A 34 2.674 -4.919 7.938 1.00 0.00 H new ATOM 0 HA SER A 34 3.087 -7.770 7.688 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.637 -8.051 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.957 -7.459 9.103 1.00 0.00 H new ATOM 0 HG SER A 34 4.755 -6.284 11.092 1.00 0.00 H new ATOM 505 N ILE A 35 0.617 -7.299 7.981 1.00 0.00 N ATOM 506 CA ILE A 35 -0.794 -7.322 8.346 1.00 0.00 C ATOM 507 C ILE A 35 -1.052 -8.414 9.374 1.00 0.00 C ATOM 508 O ILE A 35 -0.228 -9.301 9.562 1.00 0.00 O ATOM 509 CB ILE A 35 -1.702 -7.356 7.099 1.00 0.00 C ATOM 510 CG1 ILE A 35 -2.556 -6.077 7.052 1.00 0.00 C ATOM 511 CG2 ILE A 35 -2.595 -8.593 6.964 1.00 0.00 C ATOM 512 CD1 ILE A 35 -2.995 -5.728 5.637 1.00 0.00 C ATOM 0 H ILE A 35 0.821 -7.673 7.054 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.065 -6.389 8.840 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.024 -7.412 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.436 -6.207 7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.986 -5.247 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.191 -8.514 6.055 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.973 -9.487 6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.258 -8.659 7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.595 -4.818 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.116 -5.570 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.589 -6.546 5.228 1.00 0.00 H new ATOM 524 N LYS A 36 -2.201 -8.357 10.037 1.00 0.00 N ATOM 525 CA LYS A 36 -2.679 -9.418 10.887 1.00 0.00 C ATOM 526 C LYS A 36 -4.190 -9.279 10.912 1.00 0.00 C ATOM 527 O LYS A 36 -4.733 -8.454 11.642 1.00 0.00 O ATOM 528 CB LYS A 36 -2.057 -9.345 12.293 1.00 0.00 C ATOM 529 CG LYS A 36 -1.208 -10.590 12.563 1.00 0.00 C ATOM 530 CD LYS A 36 -0.811 -10.660 14.040 1.00 0.00 C ATOM 531 CE LYS A 36 0.099 -11.877 14.268 1.00 0.00 C ATOM 532 NZ LYS A 36 0.490 -12.017 15.685 1.00 0.00 N ATOM 0 H LYS A 36 -2.830 -7.555 9.992 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.388 -10.397 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.441 -8.450 12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.844 -9.263 13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.767 -11.485 12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.313 -10.569 11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.294 -9.746 14.333 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.702 -10.736 14.664 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.416 -12.781 13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.994 -11.781 13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.103 -12.850 15.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.004 -11.166 15.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.362 -12.134 16.270 1.00 0.00 H new ATOM 546 N GLY A 37 -4.853 -10.067 10.072 1.00 0.00 N ATOM 547 CA GLY A 37 -6.277 -10.318 10.200 1.00 0.00 C ATOM 548 C GLY A 37 -6.953 -10.613 8.865 1.00 0.00 C ATOM 549 O GLY A 37 -8.107 -11.033 8.844 1.00 0.00 O ATOM 0 H GLY A 37 -4.416 -10.547 9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.433 -11.161 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.753 -9.451 10.658 1.00 0.00 H new ATOM 553 N LEU A 38 -6.283 -10.302 7.749 1.00 0.00 N ATOM 554 CA LEU A 38 -6.851 -10.485 6.427 1.00 0.00 C ATOM 555 C LEU A 38 -7.067 -11.977 6.164 1.00 0.00 C ATOM 556 O LEU A 38 -6.653 -12.826 6.943 1.00 0.00 O ATOM 557 CB LEU A 38 -5.902 -9.881 5.378 1.00 0.00 C ATOM 558 CG LEU A 38 -6.148 -8.404 5.029 1.00 0.00 C ATOM 559 CD1 LEU A 38 -7.549 -8.199 4.457 1.00 0.00 C ATOM 560 CD2 LEU A 38 -5.995 -7.434 6.204 1.00 0.00 C ATOM 0 H LEU A 38 -5.338 -9.919 7.746 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.814 -9.979 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.878 -9.985 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.979 -10.469 4.464 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.372 -8.176 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.694 -7.145 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.663 -8.794 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.291 -8.511 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.187 -6.417 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.707 -7.695 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.981 -7.499 6.600 1.00 0.00 H new ATOM 572 N THR A 39 -7.681 -12.296 5.028 1.00 0.00 N ATOM 573 CA THR A 39 -7.692 -13.654 4.501 1.00 0.00 C ATOM 574 C THR A 39 -6.555 -13.783 3.491 1.00 0.00 C ATOM 575 O THR A 39 -6.054 -12.762 3.008 1.00 0.00 O ATOM 576 CB THR A 39 -9.068 -13.983 3.904 1.00 0.00 C ATOM 577 OG1 THR A 39 -9.177 -15.374 3.683 1.00 0.00 O ATOM 578 CG2 THR A 39 -9.345 -13.247 2.589 1.00 0.00 C ATOM 0 H THR A 39 -8.183 -11.622 4.450 1.00 0.00 H new ATOM 0 HA THR A 39 -7.527 -14.383 5.294 1.00 0.00 H new ATOM 0 HB THR A 39 -9.808 -13.647 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.058 -15.577 3.304 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.333 -13.522 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.308 -12.171 2.760 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.591 -13.523 1.852 1.00 0.00 H new ATOM 586 N GLU A 40 -6.162 -15.022 3.191 1.00 0.00 N ATOM 587 CA GLU A 40 -5.111 -15.348 2.245 1.00 0.00 C ATOM 588 C GLU A 40 -5.345 -14.672 0.893 1.00 0.00 C ATOM 589 O GLU A 40 -6.482 -14.373 0.526 1.00 0.00 O ATOM 590 CB GLU A 40 -5.023 -16.873 2.080 1.00 0.00 C ATOM 591 CG GLU A 40 -6.396 -17.552 1.934 1.00 0.00 C ATOM 592 CD GLU A 40 -6.320 -18.772 1.024 1.00 0.00 C ATOM 593 OE1 GLU A 40 -6.084 -18.553 -0.184 1.00 0.00 O ATOM 594 OE2 GLU A 40 -6.487 -19.891 1.551 1.00 0.00 O ATOM 0 H GLU A 40 -6.584 -15.847 3.617 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.166 -14.972 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.418 -17.102 1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.507 -17.295 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.762 -17.851 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.115 -16.839 1.530 1.00 0.00 H new ATOM 601 N GLY A 41 -4.266 -14.427 0.146 1.00 0.00 N ATOM 602 CA GLY A 41 -4.380 -13.898 -1.199 1.00 0.00 C ATOM 603 C GLY A 41 -4.037 -12.419 -1.206 1.00 0.00 C ATOM 604 O GLY A 41 -3.599 -11.857 -0.199 1.00 0.00 O ATOM 0 H GLY A 41 -3.308 -14.589 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.711 -14.438 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.393 -14.047 -1.572 1.00 0.00 H new ATOM 608 N LEU A 42 -4.169 -11.797 -2.377 1.00 0.00 N ATOM 609 CA LEU A 42 -3.565 -10.504 -2.614 1.00 0.00 C ATOM 610 C LEU A 42 -4.474 -9.379 -2.127 1.00 0.00 C ATOM 611 O LEU A 42 -5.695 -9.480 -2.210 1.00 0.00 O ATOM 612 CB LEU A 42 -3.168 -10.348 -4.086 1.00 0.00 C ATOM 613 CG LEU A 42 -1.852 -11.055 -4.453 1.00 0.00 C ATOM 614 CD1 LEU A 42 -1.918 -12.576 -4.272 1.00 0.00 C ATOM 615 CD2 LEU A 42 -1.520 -10.768 -5.921 1.00 0.00 C ATOM 0 H LEU A 42 -4.689 -12.174 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.646 -10.437 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.968 -10.743 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.076 -9.287 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.088 -10.668 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.960 -13.017 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.139 -12.809 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.702 -12.985 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.588 -11.266 -6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.325 -11.140 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.411 -9.693 -6.066 1.00 0.00 H new ATOM 627 N HIS A 43 -3.863 -8.315 -1.600 1.00 0.00 N ATOM 628 CA HIS A 43 -4.543 -7.170 -1.021 1.00 0.00 C ATOM 629 C HIS A 43 -3.917 -5.888 -1.565 1.00 0.00 C ATOM 630 O HIS A 43 -2.734 -5.654 -1.324 1.00 0.00 O ATOM 631 CB HIS A 43 -4.390 -7.255 0.501 1.00 0.00 C ATOM 632 CG HIS A 43 -5.265 -8.316 1.105 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.637 -8.267 1.100 1.00 0.00 N ATOM 634 CD2 HIS A 43 -4.890 -9.554 1.553 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.103 -9.453 1.514 1.00 0.00 C ATOM 636 NE2 HIS A 43 -6.063 -10.237 1.831 1.00 0.00 N ATOM 0 H HIS A 43 -2.847 -8.231 -1.567 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.602 -7.165 -1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.349 -7.462 0.748 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.636 -6.290 0.943 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.205 -7.465 0.828 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.882 -9.924 1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.144 -9.731 1.581 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.125 -11.180 2.214 1.00 0.00 H new ATOM 645 N GLY A 44 -4.680 -5.072 -2.305 1.00 0.00 N ATOM 646 CA GLY A 44 -4.183 -3.807 -2.836 1.00 0.00 C ATOM 647 C GLY A 44 -3.735 -2.883 -1.706 1.00 0.00 C ATOM 648 O GLY A 44 -4.350 -2.917 -0.641 1.00 0.00 O ATOM 0 H GLY A 44 -5.650 -5.273 -2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.348 -3.994 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.964 -3.321 -3.421 1.00 0.00 H new ATOM 652 N PHE A 45 -2.688 -2.078 -1.931 1.00 0.00 N ATOM 653 CA PHE A 45 -2.066 -1.242 -0.906 1.00 0.00 C ATOM 654 C PHE A 45 -1.666 0.104 -1.493 1.00 0.00 C ATOM 655 O PHE A 45 -0.826 0.140 -2.392 1.00 0.00 O ATOM 656 CB PHE A 45 -0.815 -1.943 -0.368 1.00 0.00 C ATOM 657 CG PHE A 45 -0.925 -2.282 1.095 1.00 0.00 C ATOM 658 CD1 PHE A 45 -0.717 -1.291 2.067 1.00 0.00 C ATOM 659 CD2 PHE A 45 -1.305 -3.570 1.484 1.00 0.00 C ATOM 660 CE1 PHE A 45 -0.759 -1.624 3.430 1.00 0.00 C ATOM 661 CE2 PHE A 45 -1.277 -3.924 2.840 1.00 0.00 C ATOM 662 CZ PHE A 45 -0.971 -2.959 3.813 1.00 0.00 C ATOM 0 H PHE A 45 -2.246 -1.991 -2.846 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.782 -1.083 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.642 -2.857 -0.937 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.052 -1.301 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.525 -0.272 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.619 -4.290 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.629 -0.858 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.491 -4.940 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.899 -3.242 4.853 1.00 0.00 H new ATOM 672 N HIS A 46 -2.251 1.211 -1.015 1.00 0.00 N ATOM 673 CA HIS A 46 -2.002 2.506 -1.647 1.00 0.00 C ATOM 674 C HIS A 46 -2.157 3.660 -0.677 1.00 0.00 C ATOM 675 O HIS A 46 -2.872 3.543 0.315 1.00 0.00 O ATOM 676 CB HIS A 46 -2.958 2.750 -2.825 1.00 0.00 C ATOM 677 CG HIS A 46 -3.502 1.497 -3.438 1.00 0.00 C ATOM 678 ND1 HIS A 46 -4.735 0.908 -3.154 1.00 0.00 N ATOM 679 CD2 HIS A 46 -2.879 0.721 -4.363 1.00 0.00 C ATOM 680 CE1 HIS A 46 -4.819 -0.220 -3.892 1.00 0.00 C ATOM 681 NE2 HIS A 46 -3.722 -0.303 -4.642 1.00 0.00 N ATOM 0 H HIS A 46 -2.883 1.234 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.971 2.466 -1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.790 3.366 -2.483 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.434 3.320 -3.592 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.441 1.263 -2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.902 0.888 -4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.633 -0.930 -3.877 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.541 -1.034 -5.330 1.00 0.00 H new ATOM 689 N VAL A 47 -1.549 4.797 -1.024 1.00 0.00 N ATOM 690 CA VAL A 47 -1.829 6.064 -0.365 1.00 0.00 C ATOM 691 C VAL A 47 -3.128 6.656 -0.916 1.00 0.00 C ATOM 692 O VAL A 47 -3.234 6.989 -2.101 1.00 0.00 O ATOM 693 CB VAL A 47 -0.636 7.024 -0.496 1.00 0.00 C ATOM 694 CG1 VAL A 47 -1.060 8.489 -0.336 1.00 0.00 C ATOM 695 CG2 VAL A 47 0.424 6.656 0.552 1.00 0.00 C ATOM 0 H VAL A 47 -0.853 4.860 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.971 5.896 0.703 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.220 6.919 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.187 9.134 -0.436 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.788 8.743 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.507 8.633 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.273 7.334 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.006 6.741 1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.759 5.632 0.387 1.00 0.00 H new ATOM 705 N HIS A 48 -4.121 6.790 -0.039 1.00 0.00 N ATOM 706 CA HIS A 48 -5.357 7.485 -0.317 1.00 0.00 C ATOM 707 C HIS A 48 -5.226 8.976 -0.015 1.00 0.00 C ATOM 708 O HIS A 48 -4.497 9.380 0.889 1.00 0.00 O ATOM 709 CB HIS A 48 -6.464 6.853 0.519 1.00 0.00 C ATOM 710 CG HIS A 48 -6.883 5.506 -0.003 1.00 0.00 C ATOM 711 ND1 HIS A 48 -6.054 4.527 -0.474 1.00 0.00 N flip ATOM 712 CD2 HIS A 48 -8.169 5.178 -0.272 1.00 0.00 C flip ATOM 713 CE1 HIS A 48 -6.901 3.603 -1.082 1.00 0.00 C flip ATOM 714 NE2 HIS A 48 -8.173 4.000 -0.892 1.00 0.00 N flip ATOM 0 H HIS A 48 -4.078 6.406 0.905 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.599 7.394 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.123 6.750 1.549 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.328 7.518 0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -9.039 5.769 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.589 2.717 -1.616 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.005 3.483 -1.177 1.00 0.00 H new ATOM 722 N GLU A 49 -5.965 9.766 -0.795 1.00 0.00 N ATOM 723 CA GLU A 49 -6.023 11.226 -0.765 1.00 0.00 C ATOM 724 C GLU A 49 -6.529 11.774 0.575 1.00 0.00 C ATOM 725 O GLU A 49 -6.234 12.912 0.926 1.00 0.00 O ATOM 726 CB GLU A 49 -6.894 11.676 -1.953 1.00 0.00 C ATOM 727 CG GLU A 49 -7.326 13.152 -1.929 1.00 0.00 C ATOM 728 CD GLU A 49 -8.611 13.404 -1.134 1.00 0.00 C ATOM 729 OE1 GLU A 49 -9.259 12.406 -0.743 1.00 0.00 O ATOM 730 OE2 GLU A 49 -8.948 14.596 -0.977 1.00 0.00 O ATOM 0 H GLU A 49 -6.579 9.376 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.018 11.637 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.345 11.490 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.788 11.053 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.521 13.750 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.469 13.496 -2.953 1.00 0.00 H new ATOM 876 N PRO A 62 -10.388 8.608 -2.486 1.00 0.00 N ATOM 877 CA PRO A 62 -9.934 7.662 -3.479 1.00 0.00 C ATOM 878 C PRO A 62 -8.400 7.602 -3.542 1.00 0.00 C ATOM 879 O PRO A 62 -7.697 8.331 -2.835 1.00 0.00 O ATOM 880 CB PRO A 62 -10.604 8.103 -4.789 1.00 0.00 C ATOM 881 CG PRO A 62 -10.872 9.597 -4.582 1.00 0.00 C ATOM 882 CD PRO A 62 -11.127 9.709 -3.079 1.00 0.00 C ATOM 0 HA PRO A 62 -10.216 6.636 -3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.955 7.929 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.527 7.553 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.021 10.204 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.731 9.935 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.784 10.668 -2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.191 9.636 -2.853 1.00 0.00 H new ATOM 890 N HIS A 63 -7.878 6.702 -4.386 1.00 0.00 N ATOM 891 CA HIS A 63 -6.446 6.620 -4.655 1.00 0.00 C ATOM 892 C HIS A 63 -5.908 8.018 -4.940 1.00 0.00 C ATOM 893 O HIS A 63 -6.464 8.722 -5.783 1.00 0.00 O ATOM 894 CB HIS A 63 -6.161 5.749 -5.885 1.00 0.00 C ATOM 895 CG HIS A 63 -6.065 4.266 -5.637 1.00 0.00 C ATOM 896 ND1 HIS A 63 -5.227 3.368 -6.308 1.00 0.00 N ATOM 897 CD2 HIS A 63 -6.809 3.539 -4.756 1.00 0.00 C ATOM 898 CE1 HIS A 63 -5.516 2.120 -5.873 1.00 0.00 C ATOM 899 NE2 HIS A 63 -6.471 2.232 -4.930 1.00 0.00 N ATOM 0 H HIS A 63 -8.436 6.017 -4.896 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.965 6.180 -3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.947 5.924 -6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.226 6.083 -6.333 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.522 3.612 -7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.531 3.927 -4.052 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.064 1.202 -6.219 1.00 0.00 H new ATOM 907 N PHE A 64 -4.828 8.407 -4.257 1.00 0.00 N ATOM 908 CA PHE A 64 -4.220 9.703 -4.503 1.00 0.00 C ATOM 909 C PHE A 64 -3.641 9.747 -5.920 1.00 0.00 C ATOM 910 O PHE A 64 -3.596 8.726 -6.602 1.00 0.00 O ATOM 911 CB PHE A 64 -3.150 9.965 -3.437 1.00 0.00 C ATOM 912 CG PHE A 64 -2.660 11.396 -3.279 1.00 0.00 C ATOM 913 CD1 PHE A 64 -3.455 12.509 -3.630 1.00 0.00 C ATOM 914 CD2 PHE A 64 -1.408 11.615 -2.679 1.00 0.00 C ATOM 915 CE1 PHE A 64 -2.930 13.809 -3.536 1.00 0.00 C ATOM 916 CE2 PHE A 64 -0.888 12.914 -2.569 1.00 0.00 C ATOM 917 CZ PHE A 64 -1.639 14.011 -3.023 1.00 0.00 C ATOM 0 H PHE A 64 -4.367 7.847 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.969 10.492 -4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.543 9.635 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.289 9.336 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.469 12.361 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.842 10.777 -2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.520 14.654 -3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.089 13.070 -2.136 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.224 15.007 -2.977 1.00 0.00 H new ATOM 927 N ASN A 65 -3.193 10.917 -6.384 1.00 0.00 N ATOM 928 CA ASN A 65 -2.710 11.116 -7.737 1.00 0.00 C ATOM 929 C ASN A 65 -1.748 12.308 -7.736 1.00 0.00 C ATOM 930 O ASN A 65 -2.086 13.307 -7.109 1.00 0.00 O ATOM 931 CB ASN A 65 -3.922 11.398 -8.634 1.00 0.00 C ATOM 932 CG ASN A 65 -3.859 10.568 -9.900 1.00 0.00 C ATOM 933 OD1 ASN A 65 -2.796 10.416 -10.495 1.00 0.00 O ATOM 934 ND2 ASN A 65 -4.994 10.053 -10.349 1.00 0.00 N ATOM 0 H ASN A 65 -3.159 11.762 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.183 10.237 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.841 11.174 -8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.953 12.457 -8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.002 9.511 -11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.860 10.198 -9.830 1.00 0.00 H new ATOM 941 N PRO A 66 -0.573 12.248 -8.393 1.00 0.00 N ATOM 942 CA PRO A 66 0.362 13.362 -8.394 1.00 0.00 C ATOM 943 C PRO A 66 -0.013 14.344 -9.508 1.00 0.00 C ATOM 944 O PRO A 66 -0.240 15.523 -9.264 1.00 0.00 O ATOM 945 CB PRO A 66 1.740 12.734 -8.629 1.00 0.00 C ATOM 946 CG PRO A 66 1.464 11.424 -9.376 1.00 0.00 C ATOM 947 CD PRO A 66 -0.024 11.129 -9.148 1.00 0.00 C ATOM 0 HA PRO A 66 0.350 13.928 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.379 13.394 -9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.254 12.548 -7.686 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.686 11.524 -10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.088 10.616 -8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.544 11.014 -10.099 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.152 10.195 -8.600 1.00 0.00 H new ATOM 955 N LEU A 67 -0.063 13.826 -10.738 1.00 0.00 N ATOM 956 CA LEU A 67 -0.280 14.547 -11.984 1.00 0.00 C ATOM 957 C LEU A 67 -1.644 14.161 -12.589 1.00 0.00 C ATOM 958 O LEU A 67 -1.956 14.547 -13.710 1.00 0.00 O ATOM 959 CB LEU A 67 0.943 14.218 -12.871 1.00 0.00 C ATOM 960 CG LEU A 67 0.819 14.412 -14.391 1.00 0.00 C ATOM 961 CD1 LEU A 67 0.570 15.875 -14.783 1.00 0.00 C ATOM 962 CD2 LEU A 67 2.099 13.918 -15.074 1.00 0.00 C ATOM 0 H LEU A 67 0.056 12.825 -10.894 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.342 15.628 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.777 14.829 -12.526 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.213 13.178 -12.690 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.044 13.834 -14.721 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.491 15.953 -15.867 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.357 16.222 -14.326 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.399 16.491 -14.435 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.012 14.055 -16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.952 14.487 -14.703 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.244 12.861 -14.853 1.00 0.00 H new ATOM 974 N SER A 68 -2.476 13.402 -11.863 1.00 0.00 N ATOM 975 CA SER A 68 -3.785 12.971 -12.355 1.00 0.00 C ATOM 976 C SER A 68 -3.632 11.951 -13.492 1.00 0.00 C ATOM 977 O SER A 68 -4.209 12.105 -14.564 1.00 0.00 O ATOM 978 CB SER A 68 -4.673 14.167 -12.730 1.00 0.00 C ATOM 979 OG SER A 68 -4.647 15.137 -11.696 1.00 0.00 O ATOM 0 H SER A 68 -2.259 13.072 -10.922 1.00 0.00 H new ATOM 0 HA SER A 68 -4.305 12.460 -11.545 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.325 14.610 -13.663 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.696 13.831 -12.899 1.00 0.00 H new ATOM 0 HG SER A 68 -5.215 15.896 -11.945 1.00 0.00 H new ATOM 985 N ARG A 69 -2.860 10.891 -13.230 1.00 0.00 N ATOM 986 CA ARG A 69 -2.682 9.747 -14.118 1.00 0.00 C ATOM 987 C ARG A 69 -3.720 8.680 -13.773 1.00 0.00 C ATOM 988 O ARG A 69 -4.410 8.783 -12.756 1.00 0.00 O ATOM 989 CB ARG A 69 -1.300 9.131 -13.889 1.00 0.00 C ATOM 990 CG ARG A 69 -0.131 10.106 -14.065 1.00 0.00 C ATOM 991 CD ARG A 69 1.045 9.540 -13.264 1.00 0.00 C ATOM 992 NE ARG A 69 2.333 9.785 -13.915 1.00 0.00 N ATOM 993 CZ ARG A 69 3.497 9.322 -13.437 1.00 0.00 C ATOM 994 NH1 ARG A 69 3.511 8.566 -12.327 1.00 0.00 N ATOM 995 NH2 ARG A 69 4.634 9.629 -14.071 1.00 0.00 N ATOM 0 H ARG A 69 -2.326 10.807 -12.365 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.789 10.079 -15.151 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.263 8.718 -12.881 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.169 8.298 -14.580 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.132 10.207 -15.118 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.400 11.100 -13.707 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.053 9.987 -12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.907 8.467 -13.130 1.00 0.00 H new ATOM 0 HE ARG A 69 2.346 10.335 -14.774 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.637 8.345 -11.849 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.395 8.213 -11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.610 10.210 -14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.525 9.282 -13.716 1.00 0.00 H new ATOM 1009 N LYS A 70 -3.802 7.611 -14.564 1.00 0.00 N ATOM 1010 CA LYS A 70 -4.593 6.466 -14.201 1.00 0.00 C ATOM 1011 C LYS A 70 -3.817 5.561 -13.246 1.00 0.00 C ATOM 1012 O LYS A 70 -2.628 5.750 -12.987 1.00 0.00 O ATOM 1013 CB LYS A 70 -4.983 5.748 -15.483 1.00 0.00 C ATOM 1014 CG LYS A 70 -5.863 6.664 -16.347 1.00 0.00 C ATOM 1015 CD LYS A 70 -6.100 6.094 -17.751 1.00 0.00 C ATOM 1016 CE LYS A 70 -5.960 7.214 -18.791 1.00 0.00 C ATOM 1017 NZ LYS A 70 -4.534 7.475 -19.083 1.00 0.00 N ATOM 0 H LYS A 70 -3.324 7.527 -15.461 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.496 6.769 -13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.089 5.461 -16.036 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.520 4.830 -15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.823 6.814 -15.852 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.391 7.643 -16.430 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.383 5.300 -17.958 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.094 5.650 -17.811 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.480 6.934 -19.707 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.434 8.123 -18.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.459 8.136 -19.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.079 7.891 -18.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.060 6.582 -19.327 1.00 0.00 H new ATOM 1031 N HIS A 71 -4.541 4.596 -12.688 1.00 0.00 N ATOM 1032 CA HIS A 71 -4.022 3.616 -11.759 1.00 0.00 C ATOM 1033 C HIS A 71 -3.167 2.597 -12.496 1.00 0.00 C ATOM 1034 O HIS A 71 -3.422 2.297 -13.660 1.00 0.00 O ATOM 1035 CB HIS A 71 -5.204 2.891 -11.115 1.00 0.00 C ATOM 1036 CG HIS A 71 -4.805 1.939 -10.028 1.00 0.00 C ATOM 1037 ND1 HIS A 71 -4.114 2.232 -8.852 1.00 0.00 N ATOM 1038 CD2 HIS A 71 -4.955 0.585 -10.059 1.00 0.00 C ATOM 1039 CE1 HIS A 71 -3.701 1.074 -8.323 1.00 0.00 C ATOM 1040 NE2 HIS A 71 -4.341 0.099 -8.952 1.00 0.00 N ATOM 0 H HIS A 71 -5.536 4.477 -12.880 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.413 4.115 -11.005 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.893 3.630 -10.705 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.747 2.343 -11.885 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.464 0.010 -10.818 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.979 0.956 -7.529 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -4.368 -0.874 -8.648 1.00 0.00 H new ATOM 1048 N GLY A 72 -2.223 2.001 -11.774 1.00 0.00 N ATOM 1049 CA GLY A 72 -1.555 0.792 -12.197 1.00 0.00 C ATOM 1050 C GLY A 72 -0.582 0.406 -11.097 1.00 0.00 C ATOM 1051 O GLY A 72 -0.750 0.838 -9.955 1.00 0.00 O ATOM 0 H GLY A 72 -1.903 2.353 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.277 -0.006 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.028 0.953 -13.137 1.00 0.00 H new ATOM 1055 N GLY A 73 0.427 -0.392 -11.427 1.00 0.00 N ATOM 1056 CA GLY A 73 1.423 -0.873 -10.487 1.00 0.00 C ATOM 1057 C GLY A 73 2.731 -0.122 -10.702 1.00 0.00 C ATOM 1058 O GLY A 73 2.893 0.561 -11.711 1.00 0.00 O ATOM 0 H GLY A 73 0.575 -0.728 -12.378 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.073 -0.729 -9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.579 -1.943 -10.623 1.00 0.00 H new ATOM 1062 N PRO A 74 3.707 -0.270 -9.797 1.00 0.00 N ATOM 1063 CA PRO A 74 4.988 0.413 -9.905 1.00 0.00 C ATOM 1064 C PRO A 74 5.720 0.051 -11.203 1.00 0.00 C ATOM 1065 O PRO A 74 6.529 0.835 -11.694 1.00 0.00 O ATOM 1066 CB PRO A 74 5.770 0.011 -8.650 1.00 0.00 C ATOM 1067 CG PRO A 74 5.141 -1.318 -8.227 1.00 0.00 C ATOM 1068 CD PRO A 74 3.682 -1.166 -8.655 1.00 0.00 C ATOM 0 HA PRO A 74 4.868 1.495 -9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.833 -0.101 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.679 0.763 -7.866 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.619 -2.165 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.231 -1.482 -7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.248 -2.130 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.076 -0.756 -7.847 1.00 0.00 H new ATOM 1076 N LYS A 75 5.429 -1.126 -11.765 1.00 0.00 N ATOM 1077 CA LYS A 75 6.000 -1.617 -12.999 1.00 0.00 C ATOM 1078 C LYS A 75 5.249 -1.085 -14.233 1.00 0.00 C ATOM 1079 O LYS A 75 5.775 -1.194 -15.341 1.00 0.00 O ATOM 1080 CB LYS A 75 6.009 -3.154 -12.886 1.00 0.00 C ATOM 1081 CG LYS A 75 6.238 -3.841 -14.226 1.00 0.00 C ATOM 1082 CD LYS A 75 6.605 -5.327 -14.065 1.00 0.00 C ATOM 1083 CE LYS A 75 7.991 -5.654 -14.643 1.00 0.00 C ATOM 1084 NZ LYS A 75 8.035 -5.530 -16.116 1.00 0.00 N ATOM 0 H LYS A 75 4.764 -1.778 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 75 7.018 -1.255 -13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.789 -3.458 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.060 -3.489 -12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.338 -3.755 -14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.036 -3.328 -14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.584 -5.591 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.853 -5.940 -14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.731 -4.986 -14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.269 -6.669 -14.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.991 -5.761 -16.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.349 -6.186 -16.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.797 -4.555 -16.390 1.00 0.00 H new ATOM 1098 N ASP A 76 4.037 -0.542 -14.080 1.00 0.00 N ATOM 1099 CA ASP A 76 3.264 -0.037 -15.198 1.00 0.00 C ATOM 1100 C ASP A 76 3.660 1.406 -15.466 1.00 0.00 C ATOM 1101 O ASP A 76 4.254 2.099 -14.633 1.00 0.00 O ATOM 1102 CB ASP A 76 1.763 -0.186 -14.934 1.00 0.00 C ATOM 1103 CG ASP A 76 1.372 -1.637 -14.722 1.00 0.00 C ATOM 1104 OD1 ASP A 76 1.443 -2.417 -15.700 1.00 0.00 O ATOM 1105 OD2 ASP A 76 1.005 -1.959 -13.575 1.00 0.00 O ATOM 0 H ASP A 76 3.573 -0.444 -13.177 1.00 0.00 H new ATOM 0 HA ASP A 76 3.481 -0.623 -16.091 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.488 0.397 -14.055 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.203 0.223 -15.775 1.00 0.00 H new ATOM 1110 N GLU A 77 3.324 1.849 -16.672 1.00 0.00 N ATOM 1111 CA GLU A 77 3.610 3.205 -17.099 1.00 0.00 C ATOM 1112 C GLU A 77 2.771 4.162 -16.250 1.00 0.00 C ATOM 1113 O GLU A 77 3.274 5.132 -15.680 1.00 0.00 O ATOM 1114 CB GLU A 77 3.322 3.359 -18.606 1.00 0.00 C ATOM 1115 CG GLU A 77 4.522 3.978 -19.332 1.00 0.00 C ATOM 1116 CD GLU A 77 4.891 5.342 -18.753 1.00 0.00 C ATOM 1117 OE1 GLU A 77 4.220 6.319 -19.146 1.00 0.00 O ATOM 1118 OE2 GLU A 77 5.812 5.379 -17.903 1.00 0.00 O ATOM 0 H GLU A 77 2.850 1.280 -17.373 1.00 0.00 H new ATOM 0 HA GLU A 77 4.664 3.442 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.094 2.385 -19.038 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.442 3.986 -18.750 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.378 3.307 -19.257 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.291 4.083 -20.392 1.00 0.00 H new ATOM 1125 N GLU A 78 1.484 3.823 -16.133 1.00 0.00 N ATOM 1126 CA GLU A 78 0.528 4.588 -15.347 1.00 0.00 C ATOM 1127 C GLU A 78 0.510 3.959 -13.961 1.00 0.00 C ATOM 1128 O GLU A 78 0.305 2.760 -13.814 1.00 0.00 O ATOM 1129 CB GLU A 78 -0.856 4.663 -16.028 1.00 0.00 C ATOM 1130 CG GLU A 78 -0.862 5.791 -17.083 1.00 0.00 C ATOM 1131 CD GLU A 78 -2.239 6.204 -17.602 1.00 0.00 C ATOM 1132 OE1 GLU A 78 -2.776 5.575 -18.541 1.00 0.00 O ATOM 1133 OE2 GLU A 78 -2.777 7.223 -17.103 1.00 0.00 O ATOM 0 H GLU A 78 1.079 3.004 -16.586 1.00 0.00 H new ATOM 0 HA GLU A 78 0.823 5.634 -15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.090 3.709 -16.501 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.629 4.847 -15.282 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.378 6.668 -16.654 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.254 5.474 -17.931 1.00 0.00 H new ATOM 1140 N ARG A 79 0.815 4.778 -12.959 1.00 0.00 N ATOM 1141 CA ARG A 79 0.940 4.419 -11.563 1.00 0.00 C ATOM 1142 C ARG A 79 0.745 5.747 -10.832 1.00 0.00 C ATOM 1143 O ARG A 79 1.389 6.751 -11.179 1.00 0.00 O ATOM 1144 CB ARG A 79 2.308 3.778 -11.296 1.00 0.00 C ATOM 1145 CG ARG A 79 3.504 4.697 -11.586 1.00 0.00 C ATOM 1146 CD ARG A 79 4.783 3.882 -11.838 1.00 0.00 C ATOM 1147 NE ARG A 79 5.469 4.360 -13.048 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.271 5.435 -13.110 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.576 6.097 -11.984 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.750 5.855 -14.288 1.00 0.00 N ATOM 0 H ARG A 79 0.991 5.770 -13.117 1.00 0.00 H new ATOM 0 HA ARG A 79 0.218 3.674 -11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.351 3.463 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.400 2.879 -11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.287 5.317 -12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.660 5.372 -10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.449 3.964 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.533 2.827 -11.948 1.00 0.00 H new ATOM 0 HE ARG A 79 5.324 3.833 -13.909 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.199 5.783 -11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.185 6.915 -12.022 1.00 0.00 H new ATOM 0 HH21 ARG A 79 6.506 5.358 -15.144 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.359 6.672 -14.329 1.00 0.00 H new ATOM 1164 N HIS A 80 -0.191 5.783 -9.886 1.00 0.00 N ATOM 1165 CA HIS A 80 -0.412 6.945 -9.046 1.00 0.00 C ATOM 1166 C HIS A 80 0.783 7.144 -8.100 1.00 0.00 C ATOM 1167 O HIS A 80 1.722 6.351 -8.090 1.00 0.00 O ATOM 1168 CB HIS A 80 -1.707 6.790 -8.244 1.00 0.00 C ATOM 1169 CG HIS A 80 -2.982 6.511 -9.013 1.00 0.00 C ATOM 1170 ND1 HIS A 80 -3.998 5.618 -8.653 1.00 0.00 N ATOM 1171 CD2 HIS A 80 -3.415 7.139 -10.147 1.00 0.00 C ATOM 1172 CE1 HIS A 80 -5.054 5.859 -9.445 1.00 0.00 C ATOM 1173 NE2 HIS A 80 -4.681 6.696 -10.412 1.00 0.00 N ATOM 0 H HIS A 80 -0.816 5.002 -9.684 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.508 7.824 -9.683 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.563 5.981 -7.528 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.856 7.703 -7.668 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.857 7.857 -10.730 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.043 5.443 -9.319 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.247 6.963 -11.218 1.00 0.00 H new ATOM 1181 N VAL A 81 0.750 8.209 -7.293 1.00 0.00 N ATOM 1182 CA VAL A 81 1.903 8.639 -6.514 1.00 0.00 C ATOM 1183 C VAL A 81 2.330 7.567 -5.507 1.00 0.00 C ATOM 1184 O VAL A 81 3.512 7.243 -5.425 1.00 0.00 O ATOM 1185 CB VAL A 81 1.638 10.017 -5.887 1.00 0.00 C ATOM 1186 CG1 VAL A 81 0.563 10.015 -4.800 1.00 0.00 C ATOM 1187 CG2 VAL A 81 2.930 10.642 -5.349 1.00 0.00 C ATOM 0 H VAL A 81 -0.077 8.792 -7.165 1.00 0.00 H new ATOM 0 HA VAL A 81 2.759 8.762 -7.177 1.00 0.00 H new ATOM 0 HB VAL A 81 1.249 10.628 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.438 11.025 -4.410 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.381 9.669 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.864 9.349 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.709 11.616 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.359 9.991 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.642 10.764 -6.165 1.00 0.00 H new ATOM 1197 N GLY A 82 1.370 6.996 -4.767 1.00 0.00 N ATOM 1198 CA GLY A 82 1.617 5.878 -3.866 1.00 0.00 C ATOM 1199 C GLY A 82 0.787 4.670 -4.278 1.00 0.00 C ATOM 1200 O GLY A 82 0.034 4.137 -3.466 1.00 0.00 O ATOM 0 H GLY A 82 0.397 7.303 -4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.676 5.620 -3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.370 6.165 -2.844 1.00 0.00 H new ATOM 1204 N ASP A 83 0.925 4.251 -5.542 1.00 0.00 N ATOM 1205 CA ASP A 83 0.361 3.015 -6.091 1.00 0.00 C ATOM 1206 C ASP A 83 1.340 1.858 -5.873 1.00 0.00 C ATOM 1207 O ASP A 83 1.952 1.358 -6.815 1.00 0.00 O ATOM 1208 CB ASP A 83 0.052 3.217 -7.591 1.00 0.00 C ATOM 1209 CG ASP A 83 -1.402 3.495 -7.887 1.00 0.00 C ATOM 1210 OD1 ASP A 83 -2.198 3.619 -6.934 1.00 0.00 O ATOM 1211 OD2 ASP A 83 -1.713 3.606 -9.089 1.00 0.00 O ATOM 0 H ASP A 83 1.452 4.784 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.569 2.768 -5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.653 4.045 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.359 2.326 -8.138 1.00 0.00 H new ATOM 1216 N LEU A 84 1.459 1.390 -4.633 1.00 0.00 N ATOM 1217 CA LEU A 84 2.391 0.325 -4.309 1.00 0.00 C ATOM 1218 C LEU A 84 1.721 -1.031 -4.547 1.00 0.00 C ATOM 1219 O LEU A 84 1.692 -1.881 -3.658 1.00 0.00 O ATOM 1220 CB LEU A 84 2.886 0.499 -2.869 1.00 0.00 C ATOM 1221 CG LEU A 84 3.392 1.923 -2.570 1.00 0.00 C ATOM 1222 CD1 LEU A 84 3.988 1.949 -1.162 1.00 0.00 C ATOM 1223 CD2 LEU A 84 4.449 2.393 -3.577 1.00 0.00 C ATOM 0 H LEU A 84 0.919 1.735 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 84 3.266 0.370 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.076 0.256 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.690 -0.213 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 84 2.543 2.602 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.350 2.953 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.223 1.670 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.817 1.243 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.772 3.402 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.305 1.719 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.022 2.392 -4.580 1.00 0.00 H new ATOM 1235 N GLY A 85 1.180 -1.216 -5.760 1.00 0.00 N ATOM 1236 CA GLY A 85 0.346 -2.343 -6.166 1.00 0.00 C ATOM 1237 C GLY A 85 -0.422 -3.007 -5.016 1.00 0.00 C ATOM 1238 O GLY A 85 -1.391 -2.458 -4.485 1.00 0.00 O ATOM 0 H GLY A 85 1.323 -0.548 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.369 -2.000 -6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.976 -3.092 -6.646 1.00 0.00 H new ATOM 1242 N ASN A 86 0.007 -4.219 -4.654 1.00 0.00 N ATOM 1243 CA ASN A 86 -0.642 -5.069 -3.668 1.00 0.00 C ATOM 1244 C ASN A 86 0.391 -5.859 -2.876 1.00 0.00 C ATOM 1245 O ASN A 86 1.569 -5.869 -3.228 1.00 0.00 O ATOM 1246 CB ASN A 86 -1.635 -6.015 -4.362 1.00 0.00 C ATOM 1247 CG ASN A 86 -0.969 -7.014 -5.303 1.00 0.00 C ATOM 1248 OD1 ASN A 86 -0.209 -7.870 -4.865 1.00 0.00 O ATOM 1249 ND2 ASN A 86 -1.267 -6.951 -6.600 1.00 0.00 N ATOM 0 H ASN A 86 0.843 -4.644 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.191 -4.438 -2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.195 -6.561 -3.603 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.356 -5.422 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.860 -7.624 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.902 -6.230 -6.943 1.00 0.00 H new ATOM 1256 N VAL A 87 -0.075 -6.522 -1.815 1.00 0.00 N ATOM 1257 CA VAL A 87 0.694 -7.453 -1.005 1.00 0.00 C ATOM 1258 C VAL A 87 -0.011 -8.801 -1.067 1.00 0.00 C ATOM 1259 O VAL A 87 -1.120 -8.871 -1.585 1.00 0.00 O ATOM 1260 CB VAL A 87 0.785 -6.941 0.441 1.00 0.00 C ATOM 1261 CG1 VAL A 87 1.308 -5.502 0.450 1.00 0.00 C ATOM 1262 CG2 VAL A 87 -0.560 -7.012 1.173 1.00 0.00 C ATOM 0 H VAL A 87 -1.036 -6.417 -1.489 1.00 0.00 H new ATOM 0 HA VAL A 87 1.713 -7.549 -1.380 1.00 0.00 H new ATOM 0 HB VAL A 87 1.477 -7.593 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.371 -5.144 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.298 -5.472 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.629 -4.864 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.441 -6.639 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.294 -6.402 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.903 -8.046 1.204 1.00 0.00 H new ATOM 1272 N THR A 88 0.595 -9.839 -0.491 1.00 0.00 N ATOM 1273 CA THR A 88 0.061 -11.202 -0.434 1.00 0.00 C ATOM 1274 C THR A 88 -0.090 -11.602 1.028 1.00 0.00 C ATOM 1275 O THR A 88 0.909 -11.631 1.741 1.00 0.00 O ATOM 1276 CB THR A 88 1.036 -12.139 -1.160 1.00 0.00 C ATOM 1277 OG1 THR A 88 1.239 -11.669 -2.478 1.00 0.00 O ATOM 1278 CG2 THR A 88 0.513 -13.576 -1.240 1.00 0.00 C ATOM 0 H THR A 88 1.503 -9.752 -0.035 1.00 0.00 H new ATOM 0 HA THR A 88 -0.913 -11.264 -0.919 1.00 0.00 H new ATOM 0 HB THR A 88 1.965 -12.144 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.863 -12.264 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.239 -14.199 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.360 -13.964 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.433 -13.589 -1.782 1.00 0.00 H new ATOM 1286 N ALA A 89 -1.314 -11.902 1.476 1.00 0.00 N ATOM 1287 CA ALA A 89 -1.533 -12.488 2.788 1.00 0.00 C ATOM 1288 C ALA A 89 -1.350 -14.004 2.743 1.00 0.00 C ATOM 1289 O ALA A 89 -1.811 -14.656 1.802 1.00 0.00 O ATOM 1290 CB ALA A 89 -2.926 -12.149 3.308 1.00 0.00 C ATOM 0 H ALA A 89 -2.168 -11.745 0.940 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.793 -12.066 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.067 -12.598 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.032 -11.067 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.676 -12.539 2.620 1.00 0.00 H new ATOM 1296 N ASP A 90 -0.716 -14.533 3.790 1.00 0.00 N ATOM 1297 CA ASP A 90 -0.554 -15.949 4.076 1.00 0.00 C ATOM 1298 C ASP A 90 -1.884 -16.572 4.481 1.00 0.00 C ATOM 1299 O ASP A 90 -2.854 -15.883 4.794 1.00 0.00 O ATOM 1300 CB ASP A 90 0.446 -16.136 5.234 1.00 0.00 C ATOM 1301 CG ASP A 90 1.893 -15.982 4.793 1.00 0.00 C ATOM 1302 OD1 ASP A 90 2.274 -16.732 3.870 1.00 0.00 O ATOM 1303 OD2 ASP A 90 2.593 -15.159 5.417 1.00 0.00 O ATOM 0 H ASP A 90 -0.278 -13.945 4.500 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.185 -16.437 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.230 -15.408 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.307 -17.125 5.672 1.00 0.00 H new ATOM 1308 N LYS A 91 -1.866 -17.901 4.602 1.00 0.00 N ATOM 1309 CA LYS A 91 -2.906 -18.720 5.194 1.00 0.00 C ATOM 1310 C LYS A 91 -3.286 -18.245 6.600 1.00 0.00 C ATOM 1311 O LYS A 91 -4.400 -18.484 7.056 1.00 0.00 O ATOM 1312 CB LYS A 91 -2.412 -20.173 5.223 1.00 0.00 C ATOM 1313 CG LYS A 91 -1.132 -20.397 6.050 1.00 0.00 C ATOM 1314 CD LYS A 91 -0.964 -21.886 6.371 1.00 0.00 C ATOM 1315 CE LYS A 91 0.286 -22.113 7.239 1.00 0.00 C ATOM 1316 NZ LYS A 91 1.085 -23.265 6.776 1.00 0.00 N ATOM 0 H LYS A 91 -1.079 -18.458 4.269 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.810 -18.638 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.204 -20.805 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.230 -20.502 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.265 -20.037 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.182 -19.821 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.848 -22.253 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.880 -22.456 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.904 -21.215 7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.017 -22.275 8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.917 -23.380 7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.505 -24.127 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.397 -23.100 5.798 1.00 0.00 H new ATOM 1330 N ASP A 92 -2.339 -17.600 7.291 1.00 0.00 N ATOM 1331 CA ASP A 92 -2.495 -17.142 8.663 1.00 0.00 C ATOM 1332 C ASP A 92 -3.116 -15.743 8.674 1.00 0.00 C ATOM 1333 O ASP A 92 -3.454 -15.205 9.725 1.00 0.00 O ATOM 1334 CB ASP A 92 -1.123 -17.164 9.358 1.00 0.00 C ATOM 1335 CG ASP A 92 -1.191 -17.871 10.704 1.00 0.00 C ATOM 1336 OD1 ASP A 92 -1.008 -19.108 10.690 1.00 0.00 O ATOM 1337 OD2 ASP A 92 -1.412 -17.170 11.714 1.00 0.00 O ATOM 0 H ASP A 92 -1.424 -17.380 6.896 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.166 -17.804 9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.398 -17.667 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.769 -16.143 9.500 1.00 0.00 H new ATOM 1342 N GLY A 93 -3.259 -15.136 7.491 1.00 0.00 N ATOM 1343 CA GLY A 93 -3.885 -13.840 7.347 1.00 0.00 C ATOM 1344 C GLY A 93 -2.938 -12.698 7.709 1.00 0.00 C ATOM 1345 O GLY A 93 -3.378 -11.628 8.147 1.00 0.00 O ATOM 0 H GLY A 93 -2.939 -15.540 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.226 -13.715 6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.769 -13.793 7.984 1.00 0.00 H new ATOM 1349 N VAL A 94 -1.640 -12.933 7.499 1.00 0.00 N ATOM 1350 CA VAL A 94 -0.557 -11.981 7.680 1.00 0.00 C ATOM 1351 C VAL A 94 -0.027 -11.677 6.286 1.00 0.00 C ATOM 1352 O VAL A 94 0.276 -12.614 5.558 1.00 0.00 O ATOM 1353 CB VAL A 94 0.547 -12.601 8.557 1.00 0.00 C ATOM 1354 CG1 VAL A 94 1.735 -11.649 8.795 1.00 0.00 C ATOM 1355 CG2 VAL A 94 -0.040 -13.036 9.905 1.00 0.00 C ATOM 0 H VAL A 94 -1.306 -13.843 7.181 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.896 -11.073 8.179 1.00 0.00 H new ATOM 0 HB VAL A 94 0.932 -13.464 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.479 -12.144 9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.184 -11.382 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.384 -10.747 9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.746 -13.474 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.460 -12.169 10.416 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.824 -13.775 9.739 1.00 0.00 H new ATOM 1365 N ALA A 95 0.062 -10.403 5.894 1.00 0.00 N ATOM 1366 CA ALA A 95 0.716 -10.006 4.658 1.00 0.00 C ATOM 1367 C ALA A 95 1.951 -9.219 5.047 1.00 0.00 C ATOM 1368 O ALA A 95 1.827 -8.069 5.475 1.00 0.00 O ATOM 1369 CB ALA A 95 -0.205 -9.181 3.753 1.00 0.00 C ATOM 0 H ALA A 95 -0.319 -9.623 6.429 1.00 0.00 H new ATOM 0 HA ALA A 95 0.982 -10.889 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.329 -8.908 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.085 -9.770 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.515 -8.277 4.277 1.00 0.00 H new ATOM 1375 N ASP A 96 3.114 -9.855 4.924 1.00 0.00 N ATOM 1376 CA ASP A 96 4.392 -9.200 5.114 1.00 0.00 C ATOM 1377 C ASP A 96 4.757 -8.498 3.809 1.00 0.00 C ATOM 1378 O ASP A 96 4.684 -9.095 2.735 1.00 0.00 O ATOM 1379 CB ASP A 96 5.466 -10.197 5.571 1.00 0.00 C ATOM 1380 CG ASP A 96 5.352 -10.578 7.047 1.00 0.00 C ATOM 1381 OD1 ASP A 96 4.857 -9.743 7.837 1.00 0.00 O ATOM 1382 OD2 ASP A 96 5.791 -11.701 7.369 1.00 0.00 O ATOM 0 H ASP A 96 3.189 -10.845 4.688 1.00 0.00 H new ATOM 0 HA ASP A 96 4.327 -8.458 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.395 -11.100 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.451 -9.767 5.389 1.00 0.00 H new ATOM 1387 N VAL A 97 5.110 -7.215 3.900 1.00 0.00 N ATOM 1388 CA VAL A 97 5.518 -6.387 2.773 1.00 0.00 C ATOM 1389 C VAL A 97 7.016 -6.158 2.899 1.00 0.00 C ATOM 1390 O VAL A 97 7.543 -6.176 4.007 1.00 0.00 O ATOM 1391 CB VAL A 97 4.766 -5.043 2.766 1.00 0.00 C ATOM 1392 CG1 VAL A 97 4.854 -4.362 1.392 1.00 0.00 C ATOM 1393 CG2 VAL A 97 3.310 -5.220 3.204 1.00 0.00 C ATOM 0 H VAL A 97 5.119 -6.712 4.787 1.00 0.00 H new ATOM 0 HA VAL A 97 5.279 -6.888 1.835 1.00 0.00 H new ATOM 0 HB VAL A 97 5.252 -4.389 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.313 -3.416 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.899 -4.176 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.412 -5.010 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.805 -4.254 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.805 -5.904 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.281 -5.629 4.214 1.00 0.00 H new ATOM 1403 N SER A 98 7.688 -5.936 1.774 1.00 0.00 N ATOM 1404 CA SER A 98 9.123 -5.715 1.681 1.00 0.00 C ATOM 1405 C SER A 98 9.432 -5.267 0.249 1.00 0.00 C ATOM 1406 O SER A 98 9.799 -6.081 -0.594 1.00 0.00 O ATOM 1407 CB SER A 98 9.881 -6.998 2.065 1.00 0.00 C ATOM 1408 OG SER A 98 9.302 -8.157 1.490 1.00 0.00 O ATOM 0 H SER A 98 7.226 -5.904 0.865 1.00 0.00 H new ATOM 0 HA SER A 98 9.449 -4.941 2.375 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.919 -6.915 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.892 -7.100 3.150 1.00 0.00 H new ATOM 0 HG SER A 98 9.203 -8.028 0.524 1.00 0.00 H new ATOM 1414 N ILE A 99 9.227 -3.982 -0.041 1.00 0.00 N ATOM 1415 CA ILE A 99 9.484 -3.396 -1.354 1.00 0.00 C ATOM 1416 C ILE A 99 10.274 -2.103 -1.156 1.00 0.00 C ATOM 1417 O ILE A 99 10.444 -1.659 -0.021 1.00 0.00 O ATOM 1418 CB ILE A 99 8.153 -3.231 -2.126 1.00 0.00 C ATOM 1419 CG1 ILE A 99 8.382 -2.900 -3.612 1.00 0.00 C ATOM 1420 CG2 ILE A 99 7.227 -2.188 -1.489 1.00 0.00 C ATOM 1421 CD1 ILE A 99 7.150 -3.186 -4.478 1.00 0.00 C ATOM 0 H ILE A 99 8.873 -3.311 0.640 1.00 0.00 H new ATOM 0 HA ILE A 99 10.096 -4.047 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 99 7.656 -4.199 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.653 -1.849 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.225 -3.482 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.308 -2.113 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.987 -2.489 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.726 -1.219 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.368 -2.934 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.893 -4.243 -4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.311 -2.584 -4.128 1.00 0.00 H new ATOM 1433 N GLU A 100 10.770 -1.503 -2.237 1.00 0.00 N ATOM 1434 CA GLU A 100 11.548 -0.283 -2.216 1.00 0.00 C ATOM 1435 C GLU A 100 11.046 0.636 -3.319 1.00 0.00 C ATOM 1436 O GLU A 100 10.643 0.148 -4.375 1.00 0.00 O ATOM 1437 CB GLU A 100 13.029 -0.583 -2.487 1.00 0.00 C ATOM 1438 CG GLU A 100 13.710 -1.415 -1.399 1.00 0.00 C ATOM 1439 CD GLU A 100 13.468 -2.918 -1.464 1.00 0.00 C ATOM 1440 OE1 GLU A 100 13.009 -3.411 -2.514 1.00 0.00 O ATOM 1441 OE2 GLU A 100 13.834 -3.548 -0.446 1.00 0.00 O ATOM 0 H GLU A 100 10.632 -1.871 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 100 11.444 0.182 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.113 -1.110 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.565 0.360 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.784 -1.237 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.373 -1.054 -0.427 1.00 0.00 H new ATOM 1448 N ASP A 101 11.146 1.948 -3.098 1.00 0.00 N ATOM 1449 CA ASP A 101 10.858 2.950 -4.113 1.00 0.00 C ATOM 1450 C ASP A 101 11.929 4.031 -4.059 1.00 0.00 C ATOM 1451 O ASP A 101 12.495 4.294 -3.000 1.00 0.00 O ATOM 1452 CB ASP A 101 9.494 3.590 -3.854 1.00 0.00 C ATOM 1453 CG ASP A 101 8.339 2.792 -4.433 1.00 0.00 C ATOM 1454 OD1 ASP A 101 7.808 1.937 -3.694 1.00 0.00 O ATOM 1455 OD2 ASP A 101 7.990 3.095 -5.595 1.00 0.00 O ATOM 0 H ASP A 101 11.431 2.343 -2.202 1.00 0.00 H new ATOM 0 HA ASP A 101 10.848 2.472 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.349 3.699 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 101 9.484 4.593 -4.280 1.00 0.00 H new ATOM 1460 N SER A 102 12.168 4.684 -5.199 1.00 0.00 N ATOM 1461 CA SER A 102 13.055 5.831 -5.330 1.00 0.00 C ATOM 1462 C SER A 102 12.275 7.082 -5.750 1.00 0.00 C ATOM 1463 O SER A 102 12.829 7.958 -6.407 1.00 0.00 O ATOM 1464 CB SER A 102 14.155 5.505 -6.345 1.00 0.00 C ATOM 1465 OG SER A 102 14.818 4.310 -5.979 1.00 0.00 O ATOM 0 H SER A 102 11.733 4.416 -6.082 1.00 0.00 H new ATOM 0 HA SER A 102 13.512 6.042 -4.363 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.722 5.400 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.870 6.326 -6.394 1.00 0.00 H new ATOM 0 HG SER A 102 15.518 4.110 -6.635 1.00 0.00 H new ATOM 1471 N VAL A 103 10.982 7.137 -5.412 1.00 0.00 N ATOM 1472 CA VAL A 103 10.065 8.200 -5.804 1.00 0.00 C ATOM 1473 C VAL A 103 9.357 8.779 -4.583 1.00 0.00 C ATOM 1474 O VAL A 103 9.420 9.980 -4.330 1.00 0.00 O ATOM 1475 CB VAL A 103 9.090 7.694 -6.885 1.00 0.00 C ATOM 1476 CG1 VAL A 103 8.542 6.273 -6.681 1.00 0.00 C ATOM 1477 CG2 VAL A 103 7.929 8.673 -7.097 1.00 0.00 C ATOM 0 H VAL A 103 10.537 6.419 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 103 10.630 9.019 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 103 9.709 7.640 -7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.867 6.022 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.369 5.563 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.000 6.224 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.261 8.284 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.378 8.792 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.321 9.640 -7.412 1.00 0.00 H new ATOM 1487 N ILE A 104 8.642 7.943 -3.834 1.00 0.00 N ATOM 1488 CA ILE A 104 8.071 8.334 -2.568 1.00 0.00 C ATOM 1489 C ILE A 104 9.214 8.552 -1.573 1.00 0.00 C ATOM 1490 O ILE A 104 10.291 7.976 -1.730 1.00 0.00 O ATOM 1491 CB ILE A 104 7.015 7.295 -2.148 1.00 0.00 C ATOM 1492 CG1 ILE A 104 7.487 5.832 -2.046 1.00 0.00 C ATOM 1493 CG2 ILE A 104 5.839 7.353 -3.135 1.00 0.00 C ATOM 1494 CD1 ILE A 104 8.190 5.490 -0.734 1.00 0.00 C ATOM 0 H ILE A 104 8.448 6.977 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 104 7.533 9.281 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 104 6.743 7.579 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.625 5.175 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.165 5.622 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.085 6.621 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.400 8.351 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.196 7.129 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 104 8.490 4.442 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 104 9.073 6.119 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 104 7.510 5.665 0.100 1.00 0.00 H new ATOM 1506 N SER A 105 9.014 9.410 -0.573 1.00 0.00 N ATOM 1507 CA SER A 105 9.989 9.706 0.455 1.00 0.00 C ATOM 1508 C SER A 105 9.231 10.371 1.588 1.00 0.00 C ATOM 1509 O SER A 105 8.058 10.710 1.442 1.00 0.00 O ATOM 1510 CB SER A 105 11.155 10.556 -0.078 1.00 0.00 C ATOM 1511 OG SER A 105 12.111 9.749 -0.737 1.00 0.00 O ATOM 0 H SER A 105 8.143 9.928 -0.460 1.00 0.00 H new ATOM 0 HA SER A 105 10.470 8.796 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.775 11.311 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.629 11.087 0.747 1.00 0.00 H new ATOM 0 HG SER A 105 11.670 8.955 -1.106 1.00 0.00 H new ATOM 1517 N LEU A 106 9.906 10.522 2.722 1.00 0.00 N ATOM 1518 CA LEU A 106 9.390 11.162 3.916 1.00 0.00 C ATOM 1519 C LEU A 106 10.032 12.546 4.030 1.00 0.00 C ATOM 1520 O LEU A 106 10.210 13.069 5.127 1.00 0.00 O ATOM 1521 CB LEU A 106 9.660 10.278 5.142 1.00 0.00 C ATOM 1522 CG LEU A 106 9.417 8.779 4.879 1.00 0.00 C ATOM 1523 CD1 LEU A 106 10.661 7.993 4.434 1.00 0.00 C ATOM 1524 CD2 LEU A 106 8.878 8.136 6.152 1.00 0.00 C ATOM 0 H LEU A 106 10.863 10.188 2.834 1.00 0.00 H new ATOM 0 HA LEU A 106 8.309 11.290 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.692 10.421 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.022 10.604 5.964 1.00 0.00 H new ATOM 0 HG LEU A 106 8.709 8.733 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.393 6.949 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.046 8.416 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.427 8.056 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.702 7.075 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.604 8.256 6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.942 8.617 6.434 1.00 0.00 H new ATOM 1566 N HIS A 110 7.904 14.222 -1.634 1.00 0.00 N ATOM 1567 CA HIS A 110 6.728 13.377 -1.695 1.00 0.00 C ATOM 1568 C HIS A 110 6.273 12.993 -0.290 1.00 0.00 C ATOM 1569 O HIS A 110 5.428 12.109 -0.187 1.00 0.00 O ATOM 1570 CB HIS A 110 7.040 12.137 -2.554 1.00 0.00 C ATOM 1571 CG HIS A 110 6.773 12.267 -4.037 1.00 0.00 C ATOM 1572 ND1 HIS A 110 6.821 11.219 -4.927 1.00 0.00 N ATOM 1573 CD2 HIS A 110 6.274 13.351 -4.716 1.00 0.00 C ATOM 1574 CE1 HIS A 110 6.355 11.659 -6.107 1.00 0.00 C ATOM 1575 NE2 HIS A 110 6.004 12.950 -6.028 1.00 0.00 N ATOM 0 HA HIS A 110 5.906 13.921 -2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 110 8.090 11.880 -2.416 1.00 0.00 H new ATOM 0 HB3 HIS A 110 6.455 11.300 -2.173 1.00 0.00 H new ATOM 0 HD2 HIS A 110 6.118 14.339 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 110 6.274 11.055 -6.998 1.00 0.00 H new ATOM 0 HE2 HIS A 110 5.617 13.525 -6.776 1.00 0.00 H new ATOM 1583 N SER A 111 6.814 13.645 0.757 1.00 0.00 N ATOM 1584 CA SER A 111 6.565 13.333 2.169 1.00 0.00 C ATOM 1585 C SER A 111 5.314 12.479 2.427 1.00 0.00 C ATOM 1586 O SER A 111 4.220 13.010 2.607 1.00 0.00 O ATOM 1587 CB SER A 111 6.478 14.619 2.999 1.00 0.00 C ATOM 1588 OG SER A 111 6.534 14.291 4.375 1.00 0.00 O ATOM 0 H SER A 111 7.456 14.428 0.634 1.00 0.00 H new ATOM 0 HA SER A 111 7.419 12.729 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.297 15.289 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.551 15.147 2.776 1.00 0.00 H new ATOM 0 HG SER A 111 6.480 15.111 4.909 1.00 0.00 H new ATOM 1594 N ILE A 112 5.467 11.153 2.492 1.00 0.00 N ATOM 1595 CA ILE A 112 4.348 10.249 2.759 1.00 0.00 C ATOM 1596 C ILE A 112 3.837 10.384 4.197 1.00 0.00 C ATOM 1597 O ILE A 112 2.785 9.856 4.545 1.00 0.00 O ATOM 1598 CB ILE A 112 4.716 8.794 2.432 1.00 0.00 C ATOM 1599 CG1 ILE A 112 5.781 8.253 3.397 1.00 0.00 C ATOM 1600 CG2 ILE A 112 5.187 8.707 0.980 1.00 0.00 C ATOM 1601 CD1 ILE A 112 6.155 6.798 3.111 1.00 0.00 C ATOM 0 H ILE A 112 6.362 10.681 2.362 1.00 0.00 H new ATOM 0 HA ILE A 112 3.532 10.542 2.098 1.00 0.00 H new ATOM 0 HB ILE A 112 3.832 8.169 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.675 8.873 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.413 8.335 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.449 7.676 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.388 9.039 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.061 9.344 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.911 6.470 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.270 6.169 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.551 6.716 2.099 1.00 0.00 H new ATOM 1613 N ILE A 113 4.566 11.103 5.048 1.00 0.00 N ATOM 1614 CA ILE A 113 4.089 11.424 6.378 1.00 0.00 C ATOM 1615 C ILE A 113 2.775 12.180 6.217 1.00 0.00 C ATOM 1616 O ILE A 113 2.663 13.088 5.389 1.00 0.00 O ATOM 1617 CB ILE A 113 5.159 12.207 7.157 1.00 0.00 C ATOM 1618 CG1 ILE A 113 6.378 11.321 7.466 1.00 0.00 C ATOM 1619 CG2 ILE A 113 4.595 12.824 8.447 1.00 0.00 C ATOM 1620 CD1 ILE A 113 6.063 10.087 8.318 1.00 0.00 C ATOM 0 H ILE A 113 5.492 11.472 4.833 1.00 0.00 H new ATOM 0 HA ILE A 113 3.902 10.528 6.969 1.00 0.00 H new ATOM 0 HB ILE A 113 5.483 13.027 6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.822 10.995 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.127 11.922 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.385 13.368 8.966 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.785 13.510 8.198 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.215 12.033 9.093 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.978 9.519 8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.648 10.402 9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 113 5.339 9.461 7.797 1.00 0.00 H new ATOM 1632 N GLY A 114 1.760 11.741 6.952 1.00 0.00 N ATOM 1633 CA GLY A 114 0.432 12.303 6.881 1.00 0.00 C ATOM 1634 C GLY A 114 -0.507 11.479 6.000 1.00 0.00 C ATOM 1635 O GLY A 114 -1.723 11.605 6.107 1.00 0.00 O ATOM 0 H GLY A 114 1.845 10.975 7.620 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.016 12.371 7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.492 13.319 6.492 1.00 0.00 H new ATOM 1639 N ARG A 115 0.037 10.671 5.081 1.00 0.00 N ATOM 1640 CA ARG A 115 -0.783 9.995 4.086 1.00 0.00 C ATOM 1641 C ARG A 115 -1.457 8.775 4.701 1.00 0.00 C ATOM 1642 O ARG A 115 -1.042 8.333 5.768 1.00 0.00 O ATOM 1643 CB ARG A 115 0.057 9.647 2.853 1.00 0.00 C ATOM 1644 CG ARG A 115 0.316 10.851 1.937 1.00 0.00 C ATOM 1645 CD ARG A 115 0.835 12.096 2.664 1.00 0.00 C ATOM 1646 NE ARG A 115 0.974 13.215 1.737 1.00 0.00 N ATOM 1647 CZ ARG A 115 1.466 14.415 2.068 1.00 0.00 C ATOM 1648 NH1 ARG A 115 1.976 14.644 3.284 1.00 0.00 N ATOM 1649 NH2 ARG A 115 1.417 15.400 1.166 1.00 0.00 N ATOM 0 H ARG A 115 1.036 10.475 5.011 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.576 10.663 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.012 9.234 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.451 8.868 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.038 10.563 1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.609 11.106 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.150 12.366 3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.798 11.878 3.126 1.00 0.00 H new ATOM 0 HE ARG A 115 0.676 13.073 0.772 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.995 13.897 3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 115 2.346 15.566 3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.010 15.229 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.786 16.322 1.397 1.00 0.00 H new ATOM 1663 N THR A 116 -2.478 8.223 4.037 1.00 0.00 N ATOM 1664 CA THR A 116 -3.274 7.152 4.597 1.00 0.00 C ATOM 1665 C THR A 116 -3.136 5.898 3.733 1.00 0.00 C ATOM 1666 O THR A 116 -3.658 5.843 2.618 1.00 0.00 O ATOM 1667 CB THR A 116 -4.689 7.678 4.852 1.00 0.00 C ATOM 1668 OG1 THR A 116 -4.535 8.759 5.754 1.00 0.00 O ATOM 1669 CG2 THR A 116 -5.616 6.644 5.493 1.00 0.00 C ATOM 0 H THR A 116 -2.766 8.512 3.102 1.00 0.00 H new ATOM 0 HA THR A 116 -2.921 6.824 5.575 1.00 0.00 H new ATOM 0 HB THR A 116 -5.145 7.952 3.901 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.413 9.143 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.602 7.084 5.645 1.00 0.00 H new ATOM 0 HG22 THR A 116 -5.703 5.777 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 116 -5.205 6.333 6.453 1.00 0.00 H new ATOM 1677 N LEU A 117 -2.363 4.922 4.228 1.00 0.00 N ATOM 1678 CA LEU A 117 -1.932 3.760 3.464 1.00 0.00 C ATOM 1679 C LEU A 117 -2.965 2.642 3.610 1.00 0.00 C ATOM 1680 O LEU A 117 -2.755 1.662 4.320 1.00 0.00 O ATOM 1681 CB LEU A 117 -0.519 3.319 3.877 1.00 0.00 C ATOM 1682 CG LEU A 117 0.082 2.400 2.796 1.00 0.00 C ATOM 1683 CD1 LEU A 117 0.687 3.188 1.631 1.00 0.00 C ATOM 1684 CD2 LEU A 117 1.173 1.494 3.362 1.00 0.00 C ATOM 0 H LEU A 117 -2.018 4.925 5.188 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.870 4.021 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 117 0.117 4.193 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.557 2.795 4.832 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.753 1.799 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.097 2.495 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.087 3.797 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.482 3.834 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.570 0.862 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.975 2.105 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.753 0.867 4.148 1.00 0.00 H new ATOM 1696 N VAL A 118 -4.111 2.809 2.962 1.00 0.00 N ATOM 1697 CA VAL A 118 -5.244 1.906 3.111 1.00 0.00 C ATOM 1698 C VAL A 118 -4.971 0.583 2.376 1.00 0.00 C ATOM 1699 O VAL A 118 -4.343 0.591 1.312 1.00 0.00 O ATOM 1700 CB VAL A 118 -6.506 2.625 2.604 1.00 0.00 C ATOM 1701 CG1 VAL A 118 -7.778 1.841 2.895 1.00 0.00 C ATOM 1702 CG2 VAL A 118 -6.671 3.999 3.265 1.00 0.00 C ATOM 0 H VAL A 118 -4.281 3.579 2.315 1.00 0.00 H new ATOM 0 HA VAL A 118 -5.399 1.645 4.158 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.367 2.723 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.639 2.392 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.726 0.868 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.881 1.701 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -7.572 4.480 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.754 3.876 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.804 4.619 3.036 1.00 0.00 H new ATOM 1712 N VAL A 119 -5.450 -0.544 2.931 1.00 0.00 N ATOM 1713 CA VAL A 119 -5.392 -1.857 2.294 1.00 0.00 C ATOM 1714 C VAL A 119 -6.769 -2.215 1.731 1.00 0.00 C ATOM 1715 O VAL A 119 -7.788 -1.774 2.261 1.00 0.00 O ATOM 1716 CB VAL A 119 -4.902 -2.934 3.278 1.00 0.00 C ATOM 1717 CG1 VAL A 119 -5.921 -3.229 4.381 1.00 0.00 C ATOM 1718 CG2 VAL A 119 -4.628 -4.254 2.561 1.00 0.00 C ATOM 0 H VAL A 119 -5.894 -0.561 3.849 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.673 -1.817 1.475 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.990 -2.529 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.525 -3.996 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.115 -2.320 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.850 -3.582 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.283 -4.995 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.544 -4.607 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.861 -4.103 1.801 1.00 0.00 H new ATOM 1728 N HIS A 120 -6.802 -3.048 0.690 1.00 0.00 N ATOM 1729 CA HIS A 120 -8.011 -3.477 0.005 1.00 0.00 C ATOM 1730 C HIS A 120 -8.259 -4.972 0.131 1.00 0.00 C ATOM 1731 O HIS A 120 -7.339 -5.747 0.392 1.00 0.00 O ATOM 1732 CB HIS A 120 -7.910 -3.100 -1.464 1.00 0.00 C ATOM 1733 CG HIS A 120 -8.062 -1.633 -1.676 1.00 0.00 C ATOM 1734 ND1 HIS A 120 -9.210 -0.969 -1.999 1.00 0.00 N ATOM 1735 CD2 HIS A 120 -7.003 -0.789 -1.659 1.00 0.00 C ATOM 1736 CE1 HIS A 120 -8.867 0.296 -2.258 1.00 0.00 C ATOM 1737 NE2 HIS A 120 -7.535 0.429 -2.069 1.00 0.00 N ATOM 0 H HIS A 120 -5.956 -3.454 0.291 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.853 -2.972 0.478 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -6.946 -3.425 -1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.678 -3.629 -2.028 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -10.150 -1.363 -2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.981 -1.011 -1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -9.541 1.081 -2.567 1.00 0.00 H new ATOM 1745 N GLU A 121 -9.515 -5.373 -0.072 1.00 0.00 N ATOM 1746 CA GLU A 121 -9.918 -6.763 -0.023 1.00 0.00 C ATOM 1747 C GLU A 121 -9.191 -7.574 -1.094 1.00 0.00 C ATOM 1748 O GLU A 121 -8.423 -8.471 -0.777 1.00 0.00 O ATOM 1749 CB GLU A 121 -11.436 -6.882 -0.232 1.00 0.00 C ATOM 1750 CG GLU A 121 -11.927 -8.330 -0.075 1.00 0.00 C ATOM 1751 CD GLU A 121 -13.296 -8.488 -0.715 1.00 0.00 C ATOM 1752 OE1 GLU A 121 -14.209 -7.759 -0.274 1.00 0.00 O ATOM 1753 OE2 GLU A 121 -13.380 -9.288 -1.672 1.00 0.00 O ATOM 0 H GLU A 121 -10.281 -4.731 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 121 -9.655 -7.159 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -11.952 -6.244 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -11.695 -6.517 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -11.218 -9.015 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.978 -8.593 0.982 1.00 0.00 H new ATOM 1760 N LYS A 122 -9.473 -7.300 -2.361 1.00 0.00 N ATOM 1761 CA LYS A 122 -8.968 -8.080 -3.472 1.00 0.00 C ATOM 1762 C LYS A 122 -7.583 -7.566 -3.874 1.00 0.00 C ATOM 1763 O LYS A 122 -7.086 -6.549 -3.372 1.00 0.00 O ATOM 1764 CB LYS A 122 -9.982 -8.032 -4.632 1.00 0.00 C ATOM 1765 CG LYS A 122 -11.366 -8.581 -4.245 1.00 0.00 C ATOM 1766 CD LYS A 122 -11.468 -10.110 -4.365 1.00 0.00 C ATOM 1767 CE LYS A 122 -12.225 -10.543 -5.630 1.00 0.00 C ATOM 1768 NZ LYS A 122 -11.573 -10.077 -6.871 1.00 0.00 N ATOM 0 H LYS A 122 -10.066 -6.520 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.850 -9.125 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.088 -7.002 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -9.592 -8.606 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -11.592 -8.288 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.122 -8.122 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.466 -10.539 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -11.974 -10.509 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -12.300 -11.630 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -13.243 -10.154 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.085 -10.453 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -11.585 -9.037 -6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.589 -10.412 -6.893 1.00 0.00 H new ATOM 1782 N ALA A 123 -6.973 -8.289 -4.811 1.00 0.00 N ATOM 1783 CA ALA A 123 -5.716 -7.917 -5.421 1.00 0.00 C ATOM 1784 C ALA A 123 -5.883 -6.598 -6.159 1.00 0.00 C ATOM 1785 O ALA A 123 -6.934 -6.349 -6.746 1.00 0.00 O ATOM 1786 CB ALA A 123 -5.304 -8.999 -6.422 1.00 0.00 C ATOM 0 H ALA A 123 -7.353 -9.165 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.953 -7.813 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.357 -8.724 -6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.191 -9.951 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -6.070 -9.094 -7.191 1.00 0.00 H new ATOM 1792 N ASP A 124 -4.829 -5.787 -6.175 1.00 0.00 N ATOM 1793 CA ASP A 124 -4.714 -4.697 -7.114 1.00 0.00 C ATOM 1794 C ASP A 124 -4.484 -5.273 -8.516 1.00 0.00 C ATOM 1795 O ASP A 124 -3.462 -5.912 -8.764 1.00 0.00 O ATOM 1796 CB ASP A 124 -3.562 -3.794 -6.681 1.00 0.00 C ATOM 1797 CG ASP A 124 -3.553 -2.520 -7.483 1.00 0.00 C ATOM 1798 OD1 ASP A 124 -4.017 -2.537 -8.641 1.00 0.00 O ATOM 1799 OD2 ASP A 124 -3.156 -1.488 -6.912 1.00 0.00 O ATOM 0 H ASP A 124 -4.038 -5.874 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 124 -5.626 -4.101 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.655 -3.561 -5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -2.615 -4.318 -6.810 1.00 0.00 H new ATOM 1804 N ASP A 125 -5.455 -5.039 -9.398 1.00 0.00 N ATOM 1805 CA ASP A 125 -5.534 -5.398 -10.811 1.00 0.00 C ATOM 1806 C ASP A 125 -4.656 -4.517 -11.704 1.00 0.00 C ATOM 1807 O ASP A 125 -4.579 -4.732 -12.912 1.00 0.00 O ATOM 1808 CB ASP A 125 -7.023 -5.270 -11.182 1.00 0.00 C ATOM 1809 CG ASP A 125 -7.383 -5.448 -12.642 1.00 0.00 C ATOM 1810 OD1 ASP A 125 -7.703 -6.590 -13.024 1.00 0.00 O ATOM 1811 OD2 ASP A 125 -7.449 -4.402 -13.325 1.00 0.00 O ATOM 0 H ASP A 125 -6.295 -4.539 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.155 -6.407 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.581 -6.005 -10.603 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -7.368 -4.286 -10.865 1.00 0.00 H new ATOM 1816 N LEU A 126 -3.985 -3.514 -11.134 1.00 0.00 N ATOM 1817 CA LEU A 126 -3.131 -2.580 -11.837 1.00 0.00 C ATOM 1818 C LEU A 126 -3.811 -2.012 -13.087 1.00 0.00 C ATOM 1819 O LEU A 126 -3.184 -1.813 -14.126 1.00 0.00 O ATOM 1820 CB LEU A 126 -1.773 -3.229 -12.126 1.00 0.00 C ATOM 1821 CG LEU A 126 -1.276 -4.128 -10.983 1.00 0.00 C ATOM 1822 CD1 LEU A 126 0.042 -4.772 -11.380 1.00 0.00 C ATOM 1823 CD2 LEU A 126 -1.121 -3.429 -9.627 1.00 0.00 C ATOM 0 H LEU A 126 -4.029 -3.331 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 126 -2.949 -1.718 -11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.847 -3.820 -13.039 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.036 -2.447 -12.311 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.056 -4.875 -10.837 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.394 -5.410 -10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.103 -5.373 -12.278 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.781 -3.996 -11.578 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.766 -4.146 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.402 -2.615 -9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.085 -3.029 -9.312 1.00 0.00 H new ATOM 1835 N GLY A 127 -5.113 -1.747 -12.965 1.00 0.00 N ATOM 1836 CA GLY A 127 -5.916 -1.114 -14.000 1.00 0.00 C ATOM 1837 C GLY A 127 -6.208 -2.009 -15.204 1.00 0.00 C ATOM 1838 O GLY A 127 -6.891 -1.564 -16.129 1.00 0.00 O ATOM 0 H GLY A 127 -5.645 -1.973 -12.125 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.861 -0.792 -13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.402 -0.217 -14.345 1.00 0.00 H new ATOM 1842 N LYS A 128 -5.716 -3.250 -15.215 1.00 0.00 N ATOM 1843 CA LYS A 128 -5.698 -4.087 -16.405 1.00 0.00 C ATOM 1844 C LYS A 128 -7.102 -4.518 -16.841 1.00 0.00 C ATOM 1845 O LYS A 128 -7.306 -4.828 -18.013 1.00 0.00 O ATOM 1846 CB LYS A 128 -4.715 -5.250 -16.201 1.00 0.00 C ATOM 1847 CG LYS A 128 -3.307 -4.679 -15.923 1.00 0.00 C ATOM 1848 CD LYS A 128 -2.202 -5.334 -16.767 1.00 0.00 C ATOM 1849 CE LYS A 128 -1.006 -4.381 -16.978 1.00 0.00 C ATOM 1850 NZ LYS A 128 0.118 -4.620 -16.050 1.00 0.00 N ATOM 0 H LYS A 128 -5.318 -3.700 -14.391 1.00 0.00 H new ATOM 0 HA LYS A 128 -5.332 -3.501 -17.248 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -5.039 -5.874 -15.368 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -4.695 -5.885 -17.087 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -3.314 -3.606 -16.117 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -3.072 -4.810 -14.867 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.860 -6.245 -16.275 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.609 -5.628 -17.735 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -0.648 -4.484 -18.002 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.348 -3.353 -16.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 0.832 -3.873 -16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.232 -4.611 -15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 0.547 -5.545 -16.256 1.00 0.00 H new ATOM 1864 N GLY A 129 -8.086 -4.465 -15.939 1.00 0.00 N ATOM 1865 CA GLY A 129 -9.490 -4.643 -16.274 1.00 0.00 C ATOM 1866 C GLY A 129 -9.974 -3.622 -17.310 1.00 0.00 C ATOM 1867 O GLY A 129 -10.891 -3.917 -18.071 1.00 0.00 O ATOM 0 H GLY A 129 -7.922 -4.295 -14.947 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.644 -5.651 -16.660 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -10.092 -4.553 -15.369 1.00 0.00 H new ATOM 1871 N GLY A 130 -9.372 -2.425 -17.351 1.00 0.00 N ATOM 1872 CA GLY A 130 -9.725 -1.412 -18.336 1.00 0.00 C ATOM 1873 C GLY A 130 -11.123 -0.845 -18.091 1.00 0.00 C ATOM 1874 O GLY A 130 -11.997 -0.921 -18.952 1.00 0.00 O ATOM 0 H GLY A 130 -8.635 -2.141 -16.706 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -8.994 -0.604 -18.304 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -9.678 -1.845 -19.335 1.00 0.00 H new ATOM 1878 N ASN A 131 -11.327 -0.244 -16.920 1.00 0.00 N ATOM 1879 CA ASN A 131 -12.580 0.404 -16.535 1.00 0.00 C ATOM 1880 C ASN A 131 -12.270 1.361 -15.400 1.00 0.00 C ATOM 1881 O ASN A 131 -11.339 1.072 -14.659 1.00 0.00 O ATOM 1882 CB ASN A 131 -13.667 -0.621 -16.160 1.00 0.00 C ATOM 1883 CG ASN A 131 -13.108 -1.728 -15.278 1.00 0.00 C ATOM 1884 OD1 ASN A 131 -12.434 -1.342 -14.209 1.00 0.00 O flip ATOM 1885 ND2 ASN A 131 -13.194 -2.908 -15.592 1.00 0.00 N flip ATOM 0 H ASN A 131 -10.610 -0.193 -16.196 1.00 0.00 H new ATOM 0 HA ASN A 131 -12.992 0.957 -17.379 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.481 -0.116 -15.640 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -14.088 -1.055 -17.067 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.721 -3.178 -16.423 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -12.739 -3.622 -15.023 1.00 0.00 H new ATOM 1892 N GLU A 132 -13.024 2.448 -15.196 1.00 0.00 N ATOM 1893 CA GLU A 132 -12.672 3.411 -14.154 1.00 0.00 C ATOM 1894 C GLU A 132 -12.351 2.710 -12.833 1.00 0.00 C ATOM 1895 O GLU A 132 -11.343 3.025 -12.218 1.00 0.00 O ATOM 1896 CB GLU A 132 -13.759 4.480 -13.953 1.00 0.00 C ATOM 1897 CG GLU A 132 -13.207 5.660 -13.133 1.00 0.00 C ATOM 1898 CD GLU A 132 -14.317 6.463 -12.472 1.00 0.00 C ATOM 1899 OE1 GLU A 132 -15.191 6.950 -13.212 1.00 0.00 O ATOM 1900 OE2 GLU A 132 -14.278 6.544 -11.222 1.00 0.00 O ATOM 0 H GLU A 132 -13.864 2.677 -15.728 1.00 0.00 H new ATOM 0 HA GLU A 132 -11.774 3.925 -14.497 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -14.112 4.835 -14.921 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.617 4.044 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -12.527 5.284 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.625 6.313 -13.784 1.00 0.00 H new ATOM 1907 N GLN A 133 -13.162 1.730 -12.421 1.00 0.00 N ATOM 1908 CA GLN A 133 -12.940 1.020 -11.169 1.00 0.00 C ATOM 1909 C GLN A 133 -11.490 0.531 -11.031 1.00 0.00 C ATOM 1910 O GLN A 133 -10.743 1.083 -10.234 1.00 0.00 O ATOM 1911 CB GLN A 133 -13.988 -0.088 -10.965 1.00 0.00 C ATOM 1912 CG GLN A 133 -14.769 0.149 -9.664 1.00 0.00 C ATOM 1913 CD GLN A 133 -13.863 0.299 -8.450 1.00 0.00 C ATOM 1914 OE1 GLN A 133 -13.951 1.268 -7.699 1.00 0.00 O ATOM 1915 NE2 GLN A 133 -12.927 -0.624 -8.307 1.00 0.00 N ATOM 0 H GLN A 133 -13.979 1.414 -12.943 1.00 0.00 H new ATOM 0 HA GLN A 133 -13.081 1.727 -10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.675 -0.108 -11.811 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -13.497 -1.060 -10.930 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -15.378 1.047 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -15.454 -0.683 -9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.887 -1.414 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -12.245 -0.546 -7.553 1.00 0.00 H new ATOM 1924 N SER A 134 -11.059 -0.484 -11.779 1.00 0.00 N ATOM 1925 CA SER A 134 -9.668 -0.903 -11.870 1.00 0.00 C ATOM 1926 C SER A 134 -8.735 0.271 -12.135 1.00 0.00 C ATOM 1927 O SER A 134 -7.787 0.478 -11.387 1.00 0.00 O ATOM 1928 CB SER A 134 -9.426 -2.053 -12.851 1.00 0.00 C ATOM 1929 OG SER A 134 -9.762 -1.741 -14.184 1.00 0.00 O ATOM 0 H SER A 134 -11.686 -1.049 -12.351 1.00 0.00 H new ATOM 0 HA SER A 134 -9.426 -1.305 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 134 -8.375 -2.340 -12.808 1.00 0.00 H new ATOM 0 HB3 SER A 134 -10.006 -2.919 -12.532 1.00 0.00 H new ATOM 0 HG SER A 134 -10.725 -1.571 -14.247 1.00 0.00 H new ATOM 1935 N THR A 135 -9.012 1.049 -13.177 1.00 0.00 N ATOM 1936 CA THR A 135 -8.149 2.104 -13.678 1.00 0.00 C ATOM 1937 C THR A 135 -8.051 3.284 -12.693 1.00 0.00 C ATOM 1938 O THR A 135 -7.276 4.212 -12.914 1.00 0.00 O ATOM 1939 CB THR A 135 -8.640 2.462 -15.092 1.00 0.00 C ATOM 1940 OG1 THR A 135 -8.829 1.268 -15.842 1.00 0.00 O ATOM 1941 CG2 THR A 135 -7.679 3.352 -15.878 1.00 0.00 C ATOM 0 H THR A 135 -9.875 0.956 -13.712 1.00 0.00 H new ATOM 0 HA THR A 135 -7.114 1.772 -13.758 1.00 0.00 H new ATOM 0 HB THR A 135 -9.567 3.018 -14.952 1.00 0.00 H new ATOM 0 HG1 THR A 135 -9.143 1.494 -16.742 1.00 0.00 H new ATOM 0 HG21 THR A 135 -8.098 3.559 -16.863 1.00 0.00 H new ATOM 0 HG22 THR A 135 -7.531 4.290 -15.343 1.00 0.00 H new ATOM 0 HG23 THR A 135 -6.721 2.844 -15.990 1.00 0.00 H new ATOM 1949 N LYS A 136 -8.762 3.215 -11.564 1.00 0.00 N ATOM 1950 CA LYS A 136 -8.659 4.087 -10.407 1.00 0.00 C ATOM 1951 C LYS A 136 -8.189 3.304 -9.173 1.00 0.00 C ATOM 1952 O LYS A 136 -7.508 3.897 -8.341 1.00 0.00 O ATOM 1953 CB LYS A 136 -10.059 4.648 -10.152 1.00 0.00 C ATOM 1954 CG LYS A 136 -10.199 5.564 -8.935 1.00 0.00 C ATOM 1955 CD LYS A 136 -11.631 6.119 -8.863 1.00 0.00 C ATOM 1956 CE LYS A 136 -12.732 5.036 -8.802 1.00 0.00 C ATOM 1957 NZ LYS A 136 -14.075 5.649 -8.783 1.00 0.00 N ATOM 0 H LYS A 136 -9.473 2.495 -11.433 1.00 0.00 H new ATOM 0 HA LYS A 136 -7.934 4.880 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -10.375 5.201 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -10.749 3.812 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -9.967 5.012 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.484 6.384 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.717 6.757 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -11.807 6.751 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.643 4.373 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -12.595 4.423 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -14.748 4.997 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -14.043 6.540 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -14.382 5.843 -9.758 1.00 0.00 H new ATOM 1971 N THR A 137 -8.589 2.034 -8.992 1.00 0.00 N ATOM 1972 CA THR A 137 -8.403 1.360 -7.690 1.00 0.00 C ATOM 1973 C THR A 137 -7.643 0.039 -7.775 1.00 0.00 C ATOM 1974 O THR A 137 -6.911 -0.330 -6.857 1.00 0.00 O ATOM 1975 CB THR A 137 -9.731 1.118 -6.965 1.00 0.00 C ATOM 1976 OG1 THR A 137 -10.489 0.174 -7.676 1.00 0.00 O ATOM 1977 CG2 THR A 137 -10.552 2.395 -6.785 1.00 0.00 C ATOM 0 H THR A 137 -9.033 1.462 -9.710 1.00 0.00 H new ATOM 0 HA THR A 137 -7.793 2.060 -7.118 1.00 0.00 H new ATOM 0 HB THR A 137 -9.488 0.747 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 137 -10.613 0.481 -8.598 1.00 0.00 H new ATOM 0 HG21 THR A 137 -11.481 2.160 -6.266 1.00 0.00 H new ATOM 0 HG22 THR A 137 -9.981 3.115 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 137 -10.780 2.821 -7.762 1.00 0.00 H new ATOM 1985 N GLY A 138 -7.899 -0.696 -8.849 1.00 0.00 N ATOM 1986 CA GLY A 138 -7.348 -1.995 -9.146 1.00 0.00 C ATOM 1987 C GLY A 138 -8.366 -3.095 -8.872 1.00 0.00 C ATOM 1988 O GLY A 138 -7.956 -4.195 -8.531 1.00 0.00 O ATOM 0 H GLY A 138 -8.538 -0.373 -9.576 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.039 -2.033 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.455 -2.162 -8.543 1.00 0.00 H new ATOM 1992 N ASN A 139 -9.681 -2.834 -8.973 1.00 0.00 N ATOM 1993 CA ASN A 139 -10.705 -3.839 -8.687 1.00 0.00 C ATOM 1994 C ASN A 139 -10.464 -4.480 -7.320 1.00 0.00 C ATOM 1995 O ASN A 139 -10.883 -5.606 -7.052 1.00 0.00 O ATOM 1996 CB ASN A 139 -10.795 -4.914 -9.791 1.00 0.00 C ATOM 1997 CG ASN A 139 -11.456 -4.423 -11.071 1.00 0.00 C ATOM 1998 OD1 ASN A 139 -12.157 -3.412 -11.073 1.00 0.00 O ATOM 1999 ND2 ASN A 139 -11.227 -5.120 -12.181 1.00 0.00 N ATOM 0 H ASN A 139 -10.056 -1.928 -9.253 1.00 0.00 H new ATOM 0 HA ASN A 139 -11.665 -3.324 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -9.791 -5.268 -10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -11.353 -5.769 -9.409 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -11.637 -4.820 -13.065 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -10.641 -5.954 -12.148 1.00 0.00 H new ATOM 2006 N ALA A 140 -9.799 -3.730 -6.440 1.00 0.00 N ATOM 2007 CA ALA A 140 -9.320 -4.239 -5.179 1.00 0.00 C ATOM 2008 C ALA A 140 -10.482 -4.295 -4.183 1.00 0.00 C ATOM 2009 O ALA A 140 -10.346 -4.817 -3.082 1.00 0.00 O ATOM 2010 CB ALA A 140 -8.137 -3.380 -4.734 1.00 0.00 C ATOM 0 H ALA A 140 -9.582 -2.745 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 140 -8.951 -5.262 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -7.758 -3.748 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -7.347 -3.433 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.461 -2.345 -4.621 1.00 0.00 H new ATOM 2016 N GLY A 141 -11.650 -3.778 -4.566 1.00 0.00 N ATOM 2017 CA GLY A 141 -12.830 -3.831 -3.737 1.00 0.00 C ATOM 2018 C GLY A 141 -12.669 -2.918 -2.530 1.00 0.00 C ATOM 2019 O GLY A 141 -11.815 -2.022 -2.500 1.00 0.00 O ATOM 0 H GLY A 141 -11.793 -3.313 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -13.703 -3.529 -4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.005 -4.855 -3.406 1.00 0.00 H new ATOM 2023 N SER A 142 -13.530 -3.140 -1.538 1.00 0.00 N ATOM 2024 CA SER A 142 -13.563 -2.301 -0.361 1.00 0.00 C ATOM 2025 C SER A 142 -12.294 -2.470 0.472 1.00 0.00 C ATOM 2026 O SER A 142 -11.458 -3.344 0.231 1.00 0.00 O ATOM 2027 CB SER A 142 -14.837 -2.541 0.462 1.00 0.00 C ATOM 2028 OG SER A 142 -15.423 -1.290 0.764 1.00 0.00 O ATOM 0 H SER A 142 -14.212 -3.898 -1.535 1.00 0.00 H new ATOM 0 HA SER A 142 -13.592 -1.262 -0.689 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.537 -3.161 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.598 -3.078 1.380 1.00 0.00 H new ATOM 0 HG SER A 142 -16.239 -1.429 1.288 1.00 0.00 H new ATOM 2034 N ARG A 143 -12.150 -1.563 1.431 1.00 0.00 N ATOM 2035 CA ARG A 143 -10.941 -1.375 2.204 1.00 0.00 C ATOM 2036 C ARG A 143 -11.057 -2.134 3.522 1.00 0.00 C ATOM 2037 O ARG A 143 -11.753 -1.682 4.427 1.00 0.00 O ATOM 2038 CB ARG A 143 -10.724 0.128 2.405 1.00 0.00 C ATOM 2039 CG ARG A 143 -10.552 0.837 1.042 1.00 0.00 C ATOM 2040 CD ARG A 143 -11.288 2.185 0.991 1.00 0.00 C ATOM 2041 NE ARG A 143 -11.721 2.505 -0.381 1.00 0.00 N ATOM 2042 CZ ARG A 143 -12.693 3.376 -0.704 1.00 0.00 C ATOM 2043 NH1 ARG A 143 -13.286 4.095 0.249 1.00 0.00 N ATOM 2044 NH2 ARG A 143 -13.077 3.512 -1.977 1.00 0.00 N ATOM 0 H ARG A 143 -12.898 -0.922 1.696 1.00 0.00 H new ATOM 0 HA ARG A 143 -10.071 -1.775 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -11.572 0.556 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -9.841 0.295 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -9.491 0.997 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -10.926 0.190 0.248 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.155 2.154 1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.633 2.974 1.362 1.00 0.00 H new ATOM 0 HE ARG A 143 -11.245 2.028 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -13.002 3.984 1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -14.023 4.756 0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -12.632 2.954 -2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -13.815 4.173 -2.219 1.00 0.00 H new ATOM 2058 N LEU A 144 -10.395 -3.292 3.633 1.00 0.00 N ATOM 2059 CA LEU A 144 -10.438 -4.099 4.851 1.00 0.00 C ATOM 2060 C LEU A 144 -9.896 -3.301 6.042 1.00 0.00 C ATOM 2061 O LEU A 144 -10.419 -3.449 7.142 1.00 0.00 O ATOM 2062 CB LEU A 144 -9.667 -5.425 4.681 1.00 0.00 C ATOM 2063 CG LEU A 144 -10.423 -6.619 4.039 1.00 0.00 C ATOM 2064 CD1 LEU A 144 -10.983 -7.610 5.074 1.00 0.00 C ATOM 2065 CD2 LEU A 144 -11.581 -6.185 3.134 1.00 0.00 C ATOM 0 H LEU A 144 -9.822 -3.690 2.889 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.480 -4.351 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -8.782 -5.224 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.317 -5.739 5.665 1.00 0.00 H new ATOM 0 HG LEU A 144 -9.658 -7.113 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -11.499 -8.420 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.164 -8.019 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -11.683 -7.093 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -12.067 -7.067 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -12.304 -5.614 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -11.197 -5.565 2.324 1.00 0.00 H new ATOM 2077 N ALA A 145 -8.860 -2.474 5.847 1.00 0.00 N ATOM 2078 CA ALA A 145 -8.289 -1.664 6.917 1.00 0.00 C ATOM 2079 C ALA A 145 -7.712 -0.357 6.365 1.00 0.00 C ATOM 2080 O ALA A 145 -7.322 -0.290 5.198 1.00 0.00 O ATOM 2081 CB ALA A 145 -7.248 -2.479 7.697 1.00 0.00 C ATOM 0 H ALA A 145 -8.400 -2.352 4.945 1.00 0.00 H new ATOM 0 HA ALA A 145 -9.079 -1.387 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -6.828 -1.865 8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -7.724 -3.359 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.452 -2.793 7.022 1.00 0.00 H new ATOM 2087 N CYS A 146 -7.677 0.676 7.210 1.00 0.00 N ATOM 2088 CA CYS A 146 -7.235 2.032 6.927 1.00 0.00 C ATOM 2089 C CYS A 146 -6.194 2.401 7.984 1.00 0.00 C ATOM 2090 O CYS A 146 -6.249 1.894 9.101 1.00 0.00 O ATOM 2091 CB CYS A 146 -8.430 3.001 6.975 1.00 0.00 C ATOM 2092 SG CYS A 146 -9.307 3.062 8.562 1.00 0.00 S ATOM 0 H CYS A 146 -7.980 0.573 8.178 1.00 0.00 H new ATOM 0 HA CYS A 146 -6.801 2.099 5.930 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -8.075 4.003 6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -9.139 2.719 6.196 1.00 0.00 H new ATOM 0 HG CYS A 146 -9.054 1.982 9.239 1.00 0.00 H new ATOM 2097 N GLY A 147 -5.205 3.226 7.636 1.00 0.00 N ATOM 2098 CA GLY A 147 -4.127 3.576 8.556 1.00 0.00 C ATOM 2099 C GLY A 147 -3.335 4.794 8.092 1.00 0.00 C ATOM 2100 O GLY A 147 -2.780 4.793 6.992 1.00 0.00 O ATOM 0 H GLY A 147 -5.130 3.665 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -4.546 3.773 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.452 2.726 8.660 1.00 0.00 H new ATOM 2104 N VAL A 148 -3.283 5.825 8.939 1.00 0.00 N ATOM 2105 CA VAL A 148 -2.512 7.038 8.710 1.00 0.00 C ATOM 2106 C VAL A 148 -1.021 6.765 8.952 1.00 0.00 C ATOM 2107 O VAL A 148 -0.666 5.967 9.819 1.00 0.00 O ATOM 2108 CB VAL A 148 -3.070 8.167 9.595 1.00 0.00 C ATOM 2109 CG1 VAL A 148 -2.284 9.471 9.411 1.00 0.00 C ATOM 2110 CG2 VAL A 148 -4.557 8.413 9.276 1.00 0.00 C ATOM 0 H VAL A 148 -3.791 5.834 9.824 1.00 0.00 H new ATOM 0 HA VAL A 148 -2.604 7.362 7.673 1.00 0.00 H new ATOM 0 HB VAL A 148 -2.966 7.849 10.632 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.707 10.244 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.240 9.308 9.680 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -2.345 9.789 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.937 9.214 9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.662 8.698 8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.125 7.502 9.463 1.00 0.00 H new ATOM 2120 N ILE A 149 -0.156 7.415 8.169 1.00 0.00 N ATOM 2121 CA ILE A 149 1.295 7.294 8.200 1.00 0.00 C ATOM 2122 C ILE A 149 1.875 8.407 9.079 1.00 0.00 C ATOM 2123 O ILE A 149 1.608 9.584 8.830 1.00 0.00 O ATOM 2124 CB ILE A 149 1.851 7.401 6.763 1.00 0.00 C ATOM 2125 CG1 ILE A 149 1.339 6.291 5.824 1.00 0.00 C ATOM 2126 CG2 ILE A 149 3.386 7.356 6.820 1.00 0.00 C ATOM 2127 CD1 ILE A 149 1.489 6.658 4.344 1.00 0.00 C ATOM 0 H ILE A 149 -0.472 8.075 7.459 1.00 0.00 H new ATOM 0 HA ILE A 149 1.579 6.327 8.616 1.00 0.00 H new ATOM 0 HB ILE A 149 1.497 8.345 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 149 1.886 5.370 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 149 0.290 6.092 6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 149 3.790 7.431 5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 149 3.752 8.189 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.706 6.416 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 149 1.113 5.842 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 149 0.920 7.563 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.541 6.830 4.117 1.00 0.00 H new ATOM 2139 N GLY A 150 2.711 8.052 10.061 1.00 0.00 N ATOM 2140 CA GLY A 150 3.352 8.988 10.969 1.00 0.00 C ATOM 2141 C GLY A 150 4.781 8.524 11.234 1.00 0.00 C ATOM 2142 O GLY A 150 5.194 7.469 10.765 1.00 0.00 O ATOM 0 H GLY A 150 2.962 7.080 10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.355 9.989 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 150 2.795 9.046 11.904 1.00 0.00 H new ATOM 2146 N ILE A 151 5.552 9.319 11.969 1.00 0.00 N ATOM 2147 CA ILE A 151 6.903 8.999 12.383 1.00 0.00 C ATOM 2148 C ILE A 151 6.858 7.754 13.272 1.00 0.00 C ATOM 2149 O ILE A 151 5.917 7.568 14.040 1.00 0.00 O ATOM 2150 CB ILE A 151 7.479 10.219 13.119 1.00 0.00 C ATOM 2151 CG1 ILE A 151 7.541 11.432 12.170 1.00 0.00 C ATOM 2152 CG2 ILE A 151 8.878 9.932 13.684 1.00 0.00 C ATOM 2153 CD1 ILE A 151 7.303 12.743 12.923 1.00 0.00 C ATOM 0 H ILE A 151 5.239 10.231 12.301 1.00 0.00 H new ATOM 0 HA ILE A 151 7.548 8.778 11.533 1.00 0.00 H new ATOM 0 HB ILE A 151 6.816 10.442 13.955 1.00 0.00 H new ATOM 0 HG12 ILE A 151 8.514 11.463 11.680 1.00 0.00 H new ATOM 0 HG13 ILE A 151 6.793 11.320 11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 151 9.252 10.818 14.197 1.00 0.00 H new ATOM 0 HG22 ILE A 151 8.823 9.101 14.388 1.00 0.00 H new ATOM 0 HG23 ILE A 151 9.553 9.673 12.869 1.00 0.00 H new ATOM 0 HD11 ILE A 151 7.353 13.578 12.224 1.00 0.00 H new ATOM 0 HD12 ILE A 151 6.319 12.720 13.391 1.00 0.00 H new ATOM 0 HD13 ILE A 151 8.067 12.866 13.691 1.00 0.00 H new ATOM 2165 N ALA A 152 7.870 6.894 13.167 1.00 0.00 N ATOM 2166 CA ALA A 152 7.952 5.680 13.970 1.00 0.00 C ATOM 2167 C ALA A 152 8.475 5.997 15.369 1.00 0.00 C ATOM 2168 O ALA A 152 9.515 5.475 15.773 1.00 0.00 O ATOM 2169 CB ALA A 152 8.828 4.639 13.266 1.00 0.00 C ATOM 0 H ALA A 152 8.652 7.020 12.525 1.00 0.00 H new ATOM 0 HA ALA A 152 6.952 5.260 14.080 1.00 0.00 H new ATOM 0 HB1 ALA A 152 8.882 3.737 13.875 1.00 0.00 H new ATOM 0 HB2 ALA A 152 8.396 4.396 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 152 9.831 5.042 13.126 1.00 0.00 H new ATOM 2175 N GLN A 153 7.761 6.844 16.110 1.00 0.00 N ATOM 2176 CA GLN A 153 8.074 7.173 17.485 1.00 0.00 C ATOM 2177 C GLN A 153 6.808 7.776 18.085 1.00 0.00 C ATOM 2178 O GLN A 153 6.017 8.315 17.279 1.00 0.00 O ATOM 2179 CB GLN A 153 9.270 8.142 17.534 1.00 0.00 C ATOM 2180 CG GLN A 153 10.127 7.989 18.797 1.00 0.00 C ATOM 2181 CD GLN A 153 9.520 8.643 20.035 1.00 0.00 C ATOM 2182 OE1 GLN A 153 9.465 9.865 20.129 1.00 0.00 O ATOM 2183 NE2 GLN A 153 9.129 7.848 21.026 1.00 0.00 N ATOM 2184 OXT GLN A 153 6.642 7.659 19.318 1.00 0.00 O ATOM 0 H GLN A 153 6.934 7.326 15.757 1.00 0.00 H new ATOM 0 HA GLN A 153 8.370 6.297 18.061 1.00 0.00 H new ATOM 0 HB2 GLN A 153 9.896 7.979 16.657 1.00 0.00 H new ATOM 0 HB3 GLN A 153 8.901 9.166 17.476 1.00 0.00 H new ATOM 0 HG2 GLN A 153 10.279 6.928 18.995 1.00 0.00 H new ATOM 0 HG3 GLN A 153 11.110 8.423 18.613 1.00 0.00 H new ATOM 0 HE21 GLN A 153 9.186 6.835 20.920 1.00 0.00 H new ATOM 0 HE22 GLN A 153 8.772 8.251 21.892 1.00 0.00 H new