USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1085 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 48 HIS : no HD1:sc= -3.34 K(o=-2.2,f=-6.2!) USER MOD Set 1.2: A 116 THR OG1 : rot 90:sc= 1.15 USER MOD Set 2.1: A 43 HIS : no HE2:sc= 0.548 K(o=1.1,f=-2.1!) USER MOD Set 2.2: A 86 ASN : amide:sc= 0.523 K(o=1.1,f=-8.2!) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.0847 K(o=-0.51,f=-5.4) USER MOD Set 3.2: A 68 SER OG : rot -56:sc= 1.22 USER MOD Set 3.3: A 110 HIS : +bothHN:sc= -1.81! C(o=-0.51!,f=-8.6!) USER MOD Set 4.1: A 26 ASN : amide:sc= 0.435 K(o=1,f=-5.7!) USER MOD Set 4.2: A 105 SER OG : rot -95:sc= 0.587 USER MOD Single : A 1 ALA N :NH3+ 171:sc= -0.0356 (180deg=-0.105) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0177 F(o=-0.74,f=-0.018) USER MOD Single : A 19 ASN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.66! C(o=-1.7!,f=-4.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.09) USER MOD Single : A 34 SER OG : rot 116:sc= 0.445 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 53:sc= 1.14 USER MOD Single : A 46 HIS : no HE2:sc= -3.5! C(o=-3.5!,f=-12!) USER MOD Single : A 53 ASN : amide:sc= 1.43 K(o=1.4,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot -36:sc= -0.634 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 88:sc= 1.24 USER MOD Single : A 63 HIS : no HD1:sc= 0.908 K(o=0.91,f=-5.3!) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.14 (180deg=-0.685) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.714 F(o=-1.7,f=-0.71) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0774) USER MOD Single : A 80 HIS : no HD1:sc= -5.28! C(o=-5.3!,f=-5.1!) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00563 USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 1.89 (180deg=1.39) USER MOD Single : A 98 SER OG : rot -57:sc= 0.0446 USER MOD Single : A 102 SER OG : rot 97:sc= 0.399 USER MOD Single : A 107 SER OG : rot -7:sc= 0.297 USER MOD Single : A 111 SER OG : rot 180:sc= 0.38 USER MOD Single : A 120 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-5.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 164:sc= -0.027 (180deg=-0.325) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 134 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 135 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 136 LYS NZ :NH3+ -138:sc= 1.18 (180deg=0.921) USER MOD Single : A 137 THR OG1 : rot 22:sc= 0.397 USER MOD Single : A 139 ASN : amide:sc= -1.96! C(o=-2!,f=-4.3!) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.059 -15.785 1.628 1.00 0.00 N ATOM 2 CA ALA A 1 6.561 -14.546 1.028 1.00 0.00 C ATOM 3 C ALA A 1 5.552 -14.832 -0.093 1.00 0.00 C ATOM 4 O ALA A 1 5.300 -13.972 -0.922 1.00 0.00 O ATOM 5 CB ALA A 1 7.727 -13.723 0.488 1.00 0.00 C ATOM 0 H1 ALA A 1 7.846 -15.567 2.272 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.293 -16.245 2.160 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.392 -16.424 0.878 1.00 0.00 H new ATOM 0 HA ALA A 1 6.047 -13.979 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.348 -12.803 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.408 -13.478 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.259 -14.299 -0.269 1.00 0.00 H new ATOM 13 N THR A 2 4.943 -16.010 -0.079 1.00 0.00 N ATOM 14 CA THR A 2 4.014 -16.410 -1.119 1.00 0.00 C ATOM 15 C THR A 2 2.604 -15.849 -0.893 1.00 0.00 C ATOM 16 O THR A 2 1.880 -15.531 -1.823 1.00 0.00 O ATOM 17 CB THR A 2 3.973 -17.946 -1.219 1.00 0.00 C ATOM 18 OG1 THR A 2 3.918 -18.511 0.109 1.00 0.00 O ATOM 19 CG2 THR A 2 5.199 -18.477 -1.949 1.00 0.00 C ATOM 0 H THR A 2 5.080 -16.709 0.651 1.00 0.00 H new ATOM 0 HA THR A 2 4.373 -15.991 -2.059 1.00 0.00 H new ATOM 0 HB THR A 2 3.086 -18.234 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.890 -19.489 0.048 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.146 -19.564 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.231 -18.062 -2.956 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.099 -18.186 -1.408 1.00 0.00 H new ATOM 27 N LYS A 3 2.224 -15.769 0.324 1.00 0.00 N ATOM 28 CA LYS A 3 0.937 -15.280 0.670 1.00 0.00 C ATOM 29 C LYS A 3 1.083 -14.400 1.838 1.00 0.00 C ATOM 30 O LYS A 3 1.789 -14.731 2.787 1.00 0.00 O ATOM 31 CB LYS A 3 -0.069 -16.413 0.954 1.00 0.00 C ATOM 32 CG LYS A 3 -0.469 -17.218 -0.284 1.00 0.00 C ATOM 33 CD LYS A 3 -1.498 -18.293 0.029 1.00 0.00 C ATOM 34 CE LYS A 3 -0.934 -19.372 0.939 1.00 0.00 C ATOM 35 NZ LYS A 3 -1.929 -20.420 1.218 1.00 0.00 N ATOM 0 H LYS A 3 2.800 -16.043 1.120 1.00 0.00 H new ATOM 0 HA LYS A 3 0.530 -14.727 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.362 -17.091 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.966 -15.984 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.872 -16.542 -1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.418 -17.683 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.367 -17.836 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.843 -18.746 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.055 -19.818 0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.605 -18.923 1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.510 -21.139 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.757 -19.997 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.224 -20.865 0.326 1.00 0.00 H new ATOM 49 N ALA A 4 0.435 -13.309 1.787 1.00 0.00 N ATOM 50 CA ALA A 4 0.531 -12.332 2.800 1.00 0.00 C ATOM 51 C ALA A 4 -0.847 -11.897 3.117 1.00 0.00 C ATOM 52 O ALA A 4 -1.755 -12.220 2.377 1.00 0.00 O ATOM 53 CB ALA A 4 1.396 -11.170 2.330 1.00 0.00 C ATOM 0 H ALA A 4 -0.194 -13.059 1.024 1.00 0.00 H new ATOM 0 HA ALA A 4 1.006 -12.733 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.462 -10.423 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.395 -11.534 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.951 -10.721 1.442 1.00 0.00 H new ATOM 59 N VAL A 5 -1.032 -11.209 4.178 1.00 0.00 N ATOM 60 CA VAL A 5 -2.342 -10.791 4.513 1.00 0.00 C ATOM 61 C VAL A 5 -2.305 -9.431 5.189 1.00 0.00 C ATOM 62 O VAL A 5 -1.634 -9.242 6.197 1.00 0.00 O ATOM 63 CB VAL A 5 -3.121 -11.864 5.362 1.00 0.00 C ATOM 64 CG1 VAL A 5 -2.464 -12.146 6.698 1.00 0.00 C ATOM 65 CG2 VAL A 5 -4.574 -11.463 5.548 1.00 0.00 C ATOM 0 H VAL A 5 -0.300 -10.923 4.828 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.906 -10.690 3.586 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.086 -12.793 4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.045 -12.893 7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.454 -12.521 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.420 -11.227 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.088 -12.222 6.138 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.624 -10.505 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.054 -11.374 4.574 1.00 0.00 H new ATOM 75 N ALA A 6 -2.944 -8.482 4.574 1.00 0.00 N ATOM 76 CA ALA A 6 -3.048 -7.152 5.118 1.00 0.00 C ATOM 77 C ALA A 6 -4.469 -6.933 5.577 1.00 0.00 C ATOM 78 O ALA A 6 -5.406 -7.172 4.807 1.00 0.00 O ATOM 79 CB ALA A 6 -2.661 -6.118 4.071 1.00 0.00 C ATOM 0 H ALA A 6 -3.412 -8.604 3.676 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.367 -7.043 5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.745 -5.119 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.633 -6.291 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.327 -6.203 3.212 1.00 0.00 H new ATOM 85 N VAL A 7 -4.627 -6.521 6.813 1.00 0.00 N ATOM 86 CA VAL A 7 -5.922 -6.303 7.404 1.00 0.00 C ATOM 87 C VAL A 7 -6.068 -4.846 7.831 1.00 0.00 C ATOM 88 O VAL A 7 -5.194 -4.291 8.489 1.00 0.00 O ATOM 89 CB VAL A 7 -6.188 -7.290 8.599 1.00 0.00 C ATOM 90 CG1 VAL A 7 -5.055 -7.273 9.618 1.00 0.00 C ATOM 91 CG2 VAL A 7 -7.512 -6.983 9.285 1.00 0.00 C ATOM 0 H VAL A 7 -3.849 -6.326 7.443 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.681 -6.514 6.651 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.239 -8.291 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.281 -7.969 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.125 -7.570 9.133 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.947 -6.268 10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.667 -7.682 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.493 -5.965 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.326 -7.082 8.566 1.00 0.00 H new ATOM 101 N LEU A 8 -7.149 -4.235 7.420 1.00 0.00 N ATOM 102 CA LEU A 8 -7.398 -2.845 7.704 1.00 0.00 C ATOM 103 C LEU A 8 -8.492 -2.713 8.754 1.00 0.00 C ATOM 104 O LEU A 8 -9.441 -3.511 8.765 1.00 0.00 O ATOM 105 CB LEU A 8 -7.833 -2.127 6.417 1.00 0.00 C ATOM 106 CG LEU A 8 -6.866 -2.196 5.225 1.00 0.00 C ATOM 107 CD1 LEU A 8 -7.490 -1.555 4.000 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.542 -1.522 5.553 1.00 0.00 C ATOM 0 H LEU A 8 -7.884 -4.689 6.877 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.483 -2.391 8.085 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.790 -2.543 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.005 -1.077 6.655 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.669 -3.247 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.792 -1.612 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.409 -2.081 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.718 -0.510 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.878 -1.586 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.718 -0.475 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.081 -2.022 6.405 1.00 0.00 H new ATOM 120 N LYS A 9 -8.318 -1.754 9.638 1.00 0.00 N ATOM 121 CA LYS A 9 -9.280 -1.374 10.653 1.00 0.00 C ATOM 122 C LYS A 9 -9.042 0.078 10.899 1.00 0.00 C ATOM 123 O LYS A 9 -7.884 0.506 10.901 1.00 0.00 O ATOM 124 CB LYS A 9 -9.100 -2.142 11.978 1.00 0.00 C ATOM 125 CG LYS A 9 -9.317 -3.646 11.896 1.00 0.00 C ATOM 126 CD LYS A 9 -9.332 -4.286 13.273 1.00 0.00 C ATOM 127 CE LYS A 9 -8.017 -4.111 14.016 1.00 0.00 C ATOM 128 NZ LYS A 9 -8.080 -4.688 15.375 1.00 0.00 N ATOM 0 H LYS A 9 -7.466 -1.194 9.671 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.288 -1.602 10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.093 -1.957 12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.793 -1.732 12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.260 -3.851 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.527 -4.096 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.139 -3.850 13.863 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.549 -5.349 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.214 -4.589 13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.773 -3.051 14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.167 -4.551 15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.830 -4.215 15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.288 -5.705 15.311 1.00 0.00 H new ATOM 142 N GLY A 10 -10.076 0.857 11.030 1.00 0.00 N ATOM 143 CA GLY A 10 -9.835 2.239 11.227 1.00 0.00 C ATOM 144 C GLY A 10 -10.927 2.995 11.925 1.00 0.00 C ATOM 145 O GLY A 10 -11.789 2.436 12.617 1.00 0.00 O ATOM 0 H GLY A 10 -11.054 0.567 11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.916 2.351 11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.662 2.701 10.255 1.00 0.00 H new ATOM 149 N ASP A 11 -10.854 4.284 11.695 1.00 0.00 N ATOM 150 CA ASP A 11 -11.771 5.274 12.203 1.00 0.00 C ATOM 151 C ASP A 11 -13.054 5.249 11.374 1.00 0.00 C ATOM 152 O ASP A 11 -14.154 5.511 11.871 1.00 0.00 O ATOM 153 CB ASP A 11 -11.087 6.638 12.121 1.00 0.00 C ATOM 154 CG ASP A 11 -11.910 7.753 12.675 1.00 0.00 C ATOM 155 OD1 ASP A 11 -12.322 7.671 13.840 1.00 0.00 O ATOM 156 OD2 ASP A 11 -12.096 8.756 11.980 1.00 0.00 O ATOM 0 H ASP A 11 -10.116 4.690 11.120 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.037 5.067 13.239 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.141 6.594 12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.851 6.855 11.079 1.00 0.00 H new ATOM 161 N GLY A 12 -12.887 4.911 10.120 1.00 0.00 N ATOM 162 CA GLY A 12 -13.989 4.677 9.215 1.00 0.00 C ATOM 163 C GLY A 12 -13.945 3.210 8.874 1.00 0.00 C ATOM 164 O GLY A 12 -12.963 2.552 9.266 1.00 0.00 O ATOM 0 H GLY A 12 -11.970 4.788 9.691 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.939 4.941 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.893 5.289 8.318 1.00 0.00 H new ATOM 168 N PRO A 13 -14.913 2.620 8.171 1.00 0.00 N ATOM 169 CA PRO A 13 -14.841 1.217 7.941 1.00 0.00 C ATOM 170 C PRO A 13 -14.061 0.884 6.688 1.00 0.00 C ATOM 171 O PRO A 13 -14.364 1.341 5.578 1.00 0.00 O ATOM 172 CB PRO A 13 -16.312 0.828 7.768 1.00 0.00 C ATOM 173 CG PRO A 13 -16.984 2.062 7.231 1.00 0.00 C ATOM 174 CD PRO A 13 -16.073 3.237 7.539 1.00 0.00 C ATOM 0 HA PRO A 13 -14.329 0.689 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.420 -0.010 7.080 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.752 0.520 8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.149 1.974 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -17.961 2.201 7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.796 3.777 6.633 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -16.556 3.955 8.202 1.00 0.00 H new ATOM 182 N VAL A 14 -13.053 0.122 6.904 1.00 0.00 N ATOM 183 CA VAL A 14 -12.259 -0.482 5.907 1.00 0.00 C ATOM 184 C VAL A 14 -12.055 -1.905 6.328 1.00 0.00 C ATOM 185 O VAL A 14 -11.541 -2.144 7.419 1.00 0.00 O ATOM 186 CB VAL A 14 -10.897 0.254 5.675 1.00 0.00 C ATOM 187 CG1 VAL A 14 -11.124 1.536 4.898 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.208 0.588 7.004 1.00 0.00 C ATOM 0 H VAL A 14 -12.742 -0.110 7.847 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.767 -0.423 4.944 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.252 -0.417 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.170 2.041 4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.573 1.302 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.792 2.189 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.265 1.098 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.854 1.236 7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.014 -0.332 7.555 1.00 0.00 H new ATOM 198 N GLN A 15 -12.496 -2.842 5.577 1.00 0.00 N ATOM 199 CA GLN A 15 -12.260 -4.206 5.982 1.00 0.00 C ATOM 200 C GLN A 15 -11.989 -5.065 4.767 1.00 0.00 C ATOM 201 O GLN A 15 -12.811 -5.137 3.860 1.00 0.00 O ATOM 202 CB GLN A 15 -13.444 -4.768 6.784 1.00 0.00 C ATOM 203 CG GLN A 15 -13.050 -5.621 8.006 1.00 0.00 C ATOM 204 CD GLN A 15 -12.026 -6.708 7.707 1.00 0.00 C ATOM 205 OE1 GLN A 15 -10.760 -6.411 7.932 1.00 0.00 O flip ATOM 206 NE2 GLN A 15 -12.379 -7.826 7.316 1.00 0.00 N flip ATOM 0 H GLN A 15 -13.008 -2.715 4.704 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.386 -4.220 6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.062 -3.937 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.060 -5.373 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.651 -4.965 8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.947 -6.086 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.367 -8.021 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.683 -8.554 7.157 1.00 0.00 H new ATOM 215 N GLY A 16 -10.828 -5.656 4.727 1.00 0.00 N ATOM 216 CA GLY A 16 -10.455 -6.513 3.661 1.00 0.00 C ATOM 217 C GLY A 16 -9.179 -7.204 3.983 1.00 0.00 C ATOM 218 O GLY A 16 -8.536 -6.853 4.982 1.00 0.00 O ATOM 0 H GLY A 16 -10.113 -5.549 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.240 -7.248 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.344 -5.936 2.743 1.00 0.00 H new ATOM 222 N ILE A 17 -8.808 -8.168 3.167 1.00 0.00 N ATOM 223 CA ILE A 17 -7.590 -8.919 3.342 1.00 0.00 C ATOM 224 C ILE A 17 -6.927 -9.046 1.994 1.00 0.00 C ATOM 225 O ILE A 17 -7.536 -9.541 1.051 1.00 0.00 O ATOM 226 CB ILE A 17 -7.834 -10.329 3.985 1.00 0.00 C ATOM 227 CG1 ILE A 17 -8.942 -11.115 3.241 1.00 0.00 C ATOM 228 CG2 ILE A 17 -8.152 -10.202 5.478 1.00 0.00 C ATOM 229 CD1 ILE A 17 -9.171 -12.522 3.767 1.00 0.00 C ATOM 0 H ILE A 17 -9.354 -8.453 2.354 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.944 -8.387 4.040 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.911 -10.899 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.876 -10.557 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.683 -11.173 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.317 -11.193 5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.316 -9.724 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.050 -9.598 5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.962 -13.001 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.252 -13.100 3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.463 -12.475 4.816 1.00 0.00 H new ATOM 241 N ILE A 18 -5.732 -8.532 1.875 1.00 0.00 N ATOM 242 CA ILE A 18 -5.037 -8.541 0.596 1.00 0.00 C ATOM 243 C ILE A 18 -3.800 -9.433 0.696 1.00 0.00 C ATOM 244 O ILE A 18 -3.080 -9.364 1.692 1.00 0.00 O ATOM 245 CB ILE A 18 -4.614 -7.097 0.179 1.00 0.00 C ATOM 246 CG1 ILE A 18 -5.784 -6.098 0.360 1.00 0.00 C ATOM 247 CG2 ILE A 18 -4.148 -7.097 -1.278 1.00 0.00 C ATOM 248 CD1 ILE A 18 -5.430 -4.656 0.059 1.00 0.00 C ATOM 0 H ILE A 18 -5.213 -8.101 2.640 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.714 -8.931 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.795 -6.779 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.607 -6.400 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.146 -6.164 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.854 -6.088 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.297 -7.769 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.961 -7.435 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.307 -4.027 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.630 -4.331 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.098 -4.571 -0.976 1.00 0.00 H new ATOM 260 N ASN A 19 -3.571 -10.285 -0.312 1.00 0.00 N ATOM 261 CA ASN A 19 -2.418 -11.204 -0.314 1.00 0.00 C ATOM 262 C ASN A 19 -1.336 -10.666 -1.203 1.00 0.00 C ATOM 263 O ASN A 19 -1.639 -10.144 -2.269 1.00 0.00 O ATOM 264 CB ASN A 19 -2.801 -12.633 -0.779 1.00 0.00 C ATOM 265 CG ASN A 19 -3.677 -13.435 0.196 1.00 0.00 C ATOM 266 OD1 ASN A 19 -4.578 -12.787 0.885 1.00 0.00 O flip ATOM 267 ND2 ASN A 19 -3.547 -14.651 0.295 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.166 -10.359 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.063 -11.274 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.324 -12.558 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.885 -13.194 -0.962 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.836 -15.134 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.150 -15.179 0.926 1.00 0.00 H new ATOM 274 N PHE A 20 -0.084 -10.767 -0.770 1.00 0.00 N ATOM 275 CA PHE A 20 1.028 -10.257 -1.546 1.00 0.00 C ATOM 276 C PHE A 20 2.146 -11.287 -1.643 1.00 0.00 C ATOM 277 O PHE A 20 2.673 -11.738 -0.621 1.00 0.00 O ATOM 278 CB PHE A 20 1.595 -8.977 -0.910 1.00 0.00 C ATOM 279 CG PHE A 20 0.634 -7.818 -0.795 1.00 0.00 C ATOM 280 CD1 PHE A 20 0.431 -6.957 -1.861 1.00 0.00 C ATOM 281 CD2 PHE A 20 -0.042 -7.577 0.389 1.00 0.00 C ATOM 282 CE1 PHE A 20 -0.424 -5.881 -1.750 1.00 0.00 C ATOM 283 CE2 PHE A 20 -0.903 -6.505 0.505 1.00 0.00 C ATOM 284 CZ PHE A 20 -1.091 -5.655 -0.566 1.00 0.00 C ATOM 0 H PHE A 20 0.181 -11.199 0.115 1.00 0.00 H new ATOM 0 HA PHE A 20 0.650 -10.036 -2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.961 -9.221 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.456 -8.654 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.950 -7.131 -2.792 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.106 -8.236 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.570 -5.217 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.429 -6.331 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.761 -4.813 -0.476 1.00 0.00 H new ATOM 294 N GLU A 21 2.472 -11.678 -2.853 1.00 0.00 N ATOM 295 CA GLU A 21 3.612 -12.534 -3.091 1.00 0.00 C ATOM 296 C GLU A 21 4.696 -11.789 -3.838 1.00 0.00 C ATOM 297 O GLU A 21 4.537 -11.470 -5.030 1.00 0.00 O ATOM 298 CB GLU A 21 3.252 -13.790 -3.887 1.00 0.00 C ATOM 299 CG GLU A 21 4.477 -14.663 -4.167 1.00 0.00 C ATOM 300 CD GLU A 21 4.188 -15.984 -4.836 1.00 0.00 C ATOM 301 OE1 GLU A 21 3.405 -16.787 -4.315 1.00 0.00 O ATOM 302 OE2 GLU A 21 4.750 -16.248 -5.924 1.00 0.00 O ATOM 0 H GLU A 21 1.959 -11.415 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 21 3.968 -12.840 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.513 -14.370 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.790 -13.501 -4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.168 -14.100 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.988 -14.856 -3.224 1.00 0.00 H new ATOM 309 N GLN A 22 5.767 -11.478 -3.161 1.00 0.00 N ATOM 310 CA GLN A 22 6.886 -10.928 -3.809 1.00 0.00 C ATOM 311 C GLN A 22 8.122 -11.523 -3.199 1.00 0.00 C ATOM 312 O GLN A 22 8.392 -11.343 -2.009 1.00 0.00 O ATOM 313 CB GLN A 22 6.940 -9.427 -3.698 1.00 0.00 C ATOM 314 CG GLN A 22 7.923 -8.807 -4.673 1.00 0.00 C ATOM 315 CD GLN A 22 7.340 -8.661 -6.065 1.00 0.00 C ATOM 316 OE1 GLN A 22 6.785 -7.608 -6.402 1.00 0.00 O ATOM 317 NE2 GLN A 22 7.388 -9.714 -6.854 1.00 0.00 N ATOM 0 H GLN A 22 5.872 -11.604 -2.154 1.00 0.00 H new ATOM 0 HA GLN A 22 6.815 -11.164 -4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.946 -9.017 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.219 -9.151 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.227 -7.827 -4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.821 -9.423 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.855 -10.565 -6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.958 -9.679 -7.778 1.00 0.00 H new ATOM 326 N LYS A 23 8.826 -12.259 -3.988 1.00 0.00 N ATOM 327 CA LYS A 23 10.053 -12.869 -3.581 1.00 0.00 C ATOM 328 C LYS A 23 11.166 -11.883 -3.916 1.00 0.00 C ATOM 329 O LYS A 23 10.974 -11.031 -4.796 1.00 0.00 O ATOM 330 CB LYS A 23 10.221 -14.184 -4.360 1.00 0.00 C ATOM 331 CG LYS A 23 11.348 -15.089 -3.891 1.00 0.00 C ATOM 332 CD LYS A 23 11.371 -16.376 -4.700 1.00 0.00 C ATOM 333 CE LYS A 23 12.411 -17.348 -4.181 1.00 0.00 C ATOM 334 NZ LYS A 23 12.395 -18.619 -4.933 1.00 0.00 N ATOM 0 H LYS A 23 8.564 -12.460 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 23 10.073 -13.099 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.285 -14.740 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.386 -13.944 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.303 -14.572 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.220 -15.320 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.387 -16.844 -4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.579 -16.145 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.400 -16.895 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.228 -17.548 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.120 -19.259 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.459 -19.063 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.595 -18.431 -5.936 1.00 0.00 H new ATOM 348 N GLU A 24 12.315 -11.987 -3.248 1.00 0.00 N ATOM 349 CA GLU A 24 13.442 -11.068 -3.480 1.00 0.00 C ATOM 350 C GLU A 24 13.935 -11.157 -4.937 1.00 0.00 C ATOM 351 O GLU A 24 14.502 -10.211 -5.474 1.00 0.00 O ATOM 352 CB GLU A 24 14.585 -11.357 -2.505 1.00 0.00 C ATOM 353 CG GLU A 24 15.724 -10.351 -2.574 1.00 0.00 C ATOM 354 CD GLU A 24 16.885 -10.740 -1.720 1.00 0.00 C ATOM 355 OE1 GLU A 24 17.577 -11.713 -2.065 1.00 0.00 O ATOM 356 OE2 GLU A 24 17.158 -10.078 -0.706 1.00 0.00 O ATOM 0 H GLU A 24 12.495 -12.698 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 24 13.090 -10.052 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.188 -11.373 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.980 -12.352 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.055 -10.252 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.359 -9.373 -2.261 1.00 0.00 H new ATOM 363 N SER A 25 13.667 -12.290 -5.572 1.00 0.00 N ATOM 364 CA SER A 25 13.999 -12.511 -6.966 1.00 0.00 C ATOM 365 C SER A 25 13.228 -11.530 -7.882 1.00 0.00 C ATOM 366 O SER A 25 13.624 -11.312 -9.028 1.00 0.00 O ATOM 367 CB SER A 25 13.643 -13.945 -7.321 1.00 0.00 C ATOM 368 OG SER A 25 14.213 -14.844 -6.370 1.00 0.00 O ATOM 0 H SER A 25 13.209 -13.086 -5.127 1.00 0.00 H new ATOM 0 HA SER A 25 15.064 -12.336 -7.117 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.560 -14.064 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.008 -14.181 -8.320 1.00 0.00 H new ATOM 0 HG SER A 25 13.976 -15.765 -6.607 1.00 0.00 H new ATOM 374 N ASN A 26 12.143 -10.943 -7.326 1.00 0.00 N ATOM 375 CA ASN A 26 11.257 -9.981 -7.997 1.00 0.00 C ATOM 376 C ASN A 26 10.515 -10.682 -9.111 1.00 0.00 C ATOM 377 O ASN A 26 11.086 -10.975 -10.168 1.00 0.00 O ATOM 378 CB ASN A 26 12.032 -8.760 -8.521 1.00 0.00 C ATOM 379 CG ASN A 26 11.115 -7.618 -8.857 1.00 0.00 C ATOM 380 OD1 ASN A 26 10.079 -7.444 -8.213 1.00 0.00 O ATOM 381 ND2 ASN A 26 11.474 -6.830 -9.839 1.00 0.00 N ATOM 0 H ASN A 26 11.856 -11.137 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 26 10.538 -9.602 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.753 -8.438 -7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.600 -9.043 -9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.887 -6.036 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.340 -7.010 -10.347 1.00 0.00 H new ATOM 388 N GLY A 27 9.256 -10.940 -8.902 1.00 0.00 N ATOM 389 CA GLY A 27 8.574 -11.818 -9.820 1.00 0.00 C ATOM 390 C GLY A 27 7.156 -11.508 -10.047 1.00 0.00 C ATOM 391 O GLY A 27 6.678 -10.446 -9.621 1.00 0.00 O ATOM 0 H GLY A 27 8.694 -10.573 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.093 -11.790 -10.778 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.651 -12.839 -9.446 1.00 0.00 H new ATOM 395 N PRO A 28 6.453 -12.430 -10.746 1.00 0.00 N ATOM 396 CA PRO A 28 5.039 -12.309 -11.034 1.00 0.00 C ATOM 397 C PRO A 28 4.259 -12.082 -9.767 1.00 0.00 C ATOM 398 O PRO A 28 4.333 -12.874 -8.809 1.00 0.00 O ATOM 399 CB PRO A 28 4.673 -13.670 -11.633 1.00 0.00 C ATOM 400 CG PRO A 28 5.933 -14.165 -12.220 1.00 0.00 C ATOM 401 CD PRO A 28 7.017 -13.672 -11.321 1.00 0.00 C ATOM 0 HA PRO A 28 4.816 -11.472 -11.696 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.296 -14.351 -10.870 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.893 -13.575 -12.389 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.937 -15.253 -12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.066 -13.791 -13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.257 -14.400 -10.546 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.937 -13.477 -11.872 1.00 0.00 H new ATOM 409 N VAL A 29 3.529 -11.031 -9.760 1.00 0.00 N ATOM 410 CA VAL A 29 2.820 -10.628 -8.623 1.00 0.00 C ATOM 411 C VAL A 29 1.419 -11.163 -8.637 1.00 0.00 C ATOM 412 O VAL A 29 0.609 -10.802 -9.476 1.00 0.00 O ATOM 413 CB VAL A 29 2.874 -9.098 -8.498 1.00 0.00 C ATOM 414 CG1 VAL A 29 1.906 -8.585 -7.474 1.00 0.00 C ATOM 415 CG2 VAL A 29 4.274 -8.704 -8.107 1.00 0.00 C ATOM 0 H VAL A 29 3.410 -10.418 -10.567 1.00 0.00 H new ATOM 0 HA VAL A 29 3.291 -11.049 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 29 2.597 -8.661 -9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.977 -7.499 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.892 -8.868 -7.758 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.144 -9.015 -6.501 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.334 -7.620 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.529 -9.166 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.974 -9.041 -8.872 1.00 0.00 H new ATOM 425 N LYS A 30 1.167 -12.070 -7.744 1.00 0.00 N ATOM 426 CA LYS A 30 -0.140 -12.604 -7.578 1.00 0.00 C ATOM 427 C LYS A 30 -0.717 -12.006 -6.314 1.00 0.00 C ATOM 428 O LYS A 30 -0.214 -12.225 -5.204 1.00 0.00 O ATOM 429 CB LYS A 30 -0.142 -14.142 -7.589 1.00 0.00 C ATOM 430 CG LYS A 30 0.682 -14.797 -6.502 1.00 0.00 C ATOM 431 CD LYS A 30 1.547 -15.919 -7.041 1.00 0.00 C ATOM 432 CE LYS A 30 2.598 -15.385 -8.007 1.00 0.00 C ATOM 433 NZ LYS A 30 3.620 -16.392 -8.301 1.00 0.00 N ATOM 0 H LYS A 30 1.866 -12.458 -7.111 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.776 -12.333 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.172 -14.488 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.226 -14.483 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.315 -14.048 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.019 -15.189 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.036 -16.434 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.921 -16.653 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.116 -15.073 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.070 -14.500 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.219 -16.060 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.207 -16.547 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.160 -17.285 -8.572 1.00 0.00 H new ATOM 447 N VAL A 31 -1.693 -11.184 -6.499 1.00 0.00 N ATOM 448 CA VAL A 31 -2.235 -10.358 -5.451 1.00 0.00 C ATOM 449 C VAL A 31 -3.738 -10.327 -5.539 1.00 0.00 C ATOM 450 O VAL A 31 -4.299 -10.138 -6.622 1.00 0.00 O ATOM 451 CB VAL A 31 -1.632 -8.899 -5.540 1.00 0.00 C ATOM 452 CG1 VAL A 31 -2.451 -7.893 -4.775 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.238 -8.878 -4.970 1.00 0.00 C ATOM 0 H VAL A 31 -2.153 -11.058 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.959 -10.782 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.632 -8.629 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.995 -6.907 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.463 -7.864 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.488 -8.178 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.167 -7.868 -5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.267 -9.189 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.396 -9.561 -5.535 1.00 0.00 H new ATOM 463 N TRP A 32 -4.386 -10.530 -4.428 1.00 0.00 N ATOM 464 CA TRP A 32 -5.810 -10.482 -4.383 1.00 0.00 C ATOM 465 C TRP A 32 -6.252 -10.001 -3.023 1.00 0.00 C ATOM 466 O TRP A 32 -5.770 -10.500 -2.004 1.00 0.00 O ATOM 467 CB TRP A 32 -6.406 -11.861 -4.670 1.00 0.00 C ATOM 468 CG TRP A 32 -7.886 -11.830 -4.841 1.00 0.00 C ATOM 469 CD1 TRP A 32 -8.557 -11.560 -5.988 1.00 0.00 C ATOM 470 CD2 TRP A 32 -8.889 -12.059 -3.835 1.00 0.00 C ATOM 471 NE1 TRP A 32 -9.901 -11.615 -5.771 1.00 0.00 N ATOM 472 CE2 TRP A 32 -10.137 -11.922 -4.463 1.00 0.00 C ATOM 473 CE3 TRP A 32 -8.851 -12.377 -2.472 1.00 0.00 C ATOM 474 CZ2 TRP A 32 -11.339 -12.081 -3.779 1.00 0.00 C ATOM 475 CZ3 TRP A 32 -10.044 -12.534 -1.794 1.00 0.00 C ATOM 476 CH2 TRP A 32 -11.271 -12.390 -2.450 1.00 0.00 C ATOM 0 H TRP A 32 -3.940 -10.732 -3.534 1.00 0.00 H new ATOM 0 HA TRP A 32 -6.165 -9.791 -5.148 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -5.950 -12.268 -5.573 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.154 -12.537 -3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -8.093 -11.334 -6.937 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.619 -11.452 -6.477 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -7.907 -12.497 -1.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.289 -11.965 -4.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.029 -12.772 -0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -12.186 -12.526 -1.893 1.00 0.00 H new ATOM 487 N GLY A 33 -7.077 -9.005 -3.006 1.00 0.00 N ATOM 488 CA GLY A 33 -7.651 -8.567 -1.782 1.00 0.00 C ATOM 489 C GLY A 33 -8.892 -7.788 -2.027 1.00 0.00 C ATOM 490 O GLY A 33 -8.976 -7.074 -3.000 1.00 0.00 O ATOM 0 H GLY A 33 -7.367 -8.480 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.876 -9.428 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.933 -7.953 -1.238 1.00 0.00 H new ATOM 494 N SER A 34 -9.884 -7.990 -1.214 1.00 0.00 N ATOM 495 CA SER A 34 -11.122 -7.288 -1.342 1.00 0.00 C ATOM 496 C SER A 34 -11.401 -6.426 -0.111 1.00 0.00 C ATOM 497 O SER A 34 -11.553 -6.971 0.971 1.00 0.00 O ATOM 498 CB SER A 34 -12.221 -8.287 -1.604 1.00 0.00 C ATOM 499 OG SER A 34 -11.950 -9.020 -2.794 1.00 0.00 O ATOM 0 H SER A 34 -9.856 -8.651 -0.438 1.00 0.00 H new ATOM 0 HA SER A 34 -11.070 -6.599 -2.185 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.309 -8.971 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.176 -7.771 -1.697 1.00 0.00 H new ATOM 0 HG SER A 34 -11.812 -9.965 -2.572 1.00 0.00 H new ATOM 505 N ILE A 35 -11.442 -5.113 -0.254 1.00 0.00 N ATOM 506 CA ILE A 35 -11.786 -4.257 0.888 1.00 0.00 C ATOM 507 C ILE A 35 -13.150 -3.628 0.706 1.00 0.00 C ATOM 508 O ILE A 35 -13.506 -3.221 -0.396 1.00 0.00 O ATOM 509 CB ILE A 35 -10.732 -3.144 1.209 1.00 0.00 C ATOM 510 CG1 ILE A 35 -10.418 -2.283 -0.014 1.00 0.00 C ATOM 511 CG2 ILE A 35 -9.465 -3.739 1.792 1.00 0.00 C ATOM 512 CD1 ILE A 35 -9.520 -1.091 0.271 1.00 0.00 C ATOM 0 H ILE A 35 -11.248 -4.617 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.793 -4.929 1.746 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.177 -2.491 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.943 -2.908 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.355 -1.923 -0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.753 -2.942 2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.703 -4.268 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.027 -4.435 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.349 -0.536 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.000 -0.441 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.566 -1.440 0.667 1.00 0.00 H new ATOM 524 N LYS A 36 -13.899 -3.592 1.778 1.00 0.00 N ATOM 525 CA LYS A 36 -15.203 -2.990 1.836 1.00 0.00 C ATOM 526 C LYS A 36 -15.054 -1.664 2.548 1.00 0.00 C ATOM 527 O LYS A 36 -14.370 -1.595 3.587 1.00 0.00 O ATOM 528 CB LYS A 36 -16.220 -3.936 2.515 1.00 0.00 C ATOM 529 CG LYS A 36 -15.869 -4.359 3.939 1.00 0.00 C ATOM 530 CD LYS A 36 -16.781 -5.472 4.457 1.00 0.00 C ATOM 531 CE LYS A 36 -16.628 -6.752 3.631 1.00 0.00 C ATOM 532 NZ LYS A 36 -17.425 -7.868 4.172 1.00 0.00 N ATOM 0 H LYS A 36 -13.605 -3.997 2.667 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.603 -2.813 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.194 -3.446 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.323 -4.832 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.833 -4.697 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.942 -3.496 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.546 -5.681 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.818 -5.139 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.933 -6.556 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.577 -7.040 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.288 -8.712 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.118 -8.075 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.432 -7.606 4.175 1.00 0.00 H new ATOM 546 N GLY A 37 -15.626 -0.637 1.990 1.00 0.00 N ATOM 547 CA GLY A 37 -15.347 0.658 2.413 1.00 0.00 C ATOM 548 C GLY A 37 -16.514 1.529 2.237 1.00 0.00 C ATOM 549 O GLY A 37 -17.595 1.078 1.800 1.00 0.00 O ATOM 0 H GLY A 37 -16.299 -0.700 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -15.052 0.646 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.503 1.055 1.849 1.00 0.00 H new ATOM 553 N LEU A 38 -16.335 2.737 2.631 1.00 0.00 N ATOM 554 CA LEU A 38 -17.276 3.793 2.394 1.00 0.00 C ATOM 555 C LEU A 38 -17.292 3.978 0.834 1.00 0.00 C ATOM 556 O LEU A 38 -16.531 3.293 0.112 1.00 0.00 O ATOM 557 CB LEU A 38 -16.812 5.078 3.138 1.00 0.00 C ATOM 558 CG LEU A 38 -17.735 6.309 3.090 1.00 0.00 C ATOM 559 CD1 LEU A 38 -19.035 6.047 3.833 1.00 0.00 C ATOM 560 CD2 LEU A 38 -17.030 7.528 3.665 1.00 0.00 C ATOM 0 H LEU A 38 -15.506 3.037 3.144 1.00 0.00 H new ATOM 0 HA LEU A 38 -18.277 3.573 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.653 4.820 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.844 5.369 2.731 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.977 6.507 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.668 6.933 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.553 5.205 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.818 5.815 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.698 8.388 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.754 7.334 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.132 7.737 3.084 1.00 0.00 H new ATOM 572 N THR A 39 -18.114 4.832 0.298 1.00 0.00 N ATOM 573 CA THR A 39 -18.360 4.806 -1.126 1.00 0.00 C ATOM 574 C THR A 39 -17.055 5.090 -1.929 1.00 0.00 C ATOM 575 O THR A 39 -16.126 5.756 -1.454 1.00 0.00 O ATOM 576 CB THR A 39 -19.491 5.818 -1.502 1.00 0.00 C ATOM 577 OG1 THR A 39 -19.862 5.680 -2.888 1.00 0.00 O ATOM 578 CG2 THR A 39 -19.068 7.260 -1.218 1.00 0.00 C ATOM 0 H THR A 39 -18.624 5.550 0.813 1.00 0.00 H new ATOM 0 HA THR A 39 -18.696 3.805 -1.397 1.00 0.00 H new ATOM 0 HB THR A 39 -20.355 5.585 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.083 4.744 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 39 -19.877 7.937 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.844 7.371 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.181 7.501 -1.803 1.00 0.00 H new ATOM 586 N GLU A 40 -17.040 4.570 -3.143 1.00 0.00 N ATOM 587 CA GLU A 40 -15.833 4.387 -3.944 1.00 0.00 C ATOM 588 C GLU A 40 -15.059 5.595 -4.290 1.00 0.00 C ATOM 589 O GLU A 40 -15.544 6.709 -4.348 1.00 0.00 O ATOM 590 CB GLU A 40 -16.194 3.821 -5.311 1.00 0.00 C ATOM 591 CG GLU A 40 -17.012 4.766 -6.218 1.00 0.00 C ATOM 592 CD GLU A 40 -17.216 4.228 -7.612 1.00 0.00 C ATOM 593 OE1 GLU A 40 -16.356 4.467 -8.478 1.00 0.00 O ATOM 594 OE2 GLU A 40 -18.252 3.579 -7.879 1.00 0.00 O ATOM 0 H GLU A 40 -17.887 4.254 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.233 3.750 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -15.274 3.552 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.760 2.901 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -17.985 4.946 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.505 5.729 -6.278 1.00 0.00 H new ATOM 601 N GLY A 41 -13.903 5.254 -4.603 1.00 0.00 N ATOM 602 CA GLY A 41 -12.803 6.048 -4.946 1.00 0.00 C ATOM 603 C GLY A 41 -11.937 5.093 -5.686 1.00 0.00 C ATOM 604 O GLY A 41 -12.458 4.015 -6.061 1.00 0.00 O ATOM 0 H GLY A 41 -13.656 4.265 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -13.092 6.897 -5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.303 6.451 -4.065 1.00 0.00 H new ATOM 608 N LEU A 42 -10.686 5.307 -5.791 1.00 0.00 N ATOM 609 CA LEU A 42 -9.947 4.498 -6.684 1.00 0.00 C ATOM 610 C LEU A 42 -8.481 4.347 -6.337 1.00 0.00 C ATOM 611 O LEU A 42 -8.124 3.511 -5.542 1.00 0.00 O ATOM 612 CB LEU A 42 -10.060 5.041 -8.127 1.00 0.00 C ATOM 613 CG LEU A 42 -11.400 4.934 -8.853 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.345 5.715 -10.145 1.00 0.00 C ATOM 615 CD2 LEU A 42 -11.717 3.486 -9.152 1.00 0.00 C ATOM 0 H LEU A 42 -10.157 6.017 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.394 3.508 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.780 6.094 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.315 4.525 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.180 5.345 -8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.303 5.636 -10.659 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.135 6.762 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.557 5.311 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.674 3.422 -9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.935 3.065 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.771 2.925 -8.219 1.00 0.00 H new ATOM 627 N HIS A 43 -7.692 5.281 -6.804 1.00 0.00 N ATOM 628 CA HIS A 43 -6.278 5.061 -7.010 1.00 0.00 C ATOM 629 C HIS A 43 -5.442 5.090 -5.739 1.00 0.00 C ATOM 630 O HIS A 43 -5.323 6.106 -5.071 1.00 0.00 O ATOM 631 CB HIS A 43 -5.812 6.079 -8.033 1.00 0.00 C ATOM 632 CG HIS A 43 -4.507 5.770 -8.683 1.00 0.00 C ATOM 633 ND1 HIS A 43 -3.639 6.736 -9.113 1.00 0.00 N ATOM 634 CD2 HIS A 43 -3.953 4.591 -9.048 1.00 0.00 C ATOM 635 CE1 HIS A 43 -2.616 6.173 -9.713 1.00 0.00 C ATOM 636 NE2 HIS A 43 -2.778 4.873 -9.688 1.00 0.00 N ATOM 0 H HIS A 43 -8.010 6.218 -7.053 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.132 4.045 -7.376 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.574 6.168 -8.807 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.737 7.052 -7.547 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -3.767 7.740 -8.987 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.363 3.608 -8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.780 6.695 -10.154 1.00 0.00 H new ATOM 645 N GLY A 44 -4.753 4.006 -5.500 1.00 0.00 N ATOM 646 CA GLY A 44 -4.053 3.871 -4.278 1.00 0.00 C ATOM 647 C GLY A 44 -2.568 4.028 -4.383 1.00 0.00 C ATOM 648 O GLY A 44 -1.910 3.362 -5.173 1.00 0.00 O ATOM 0 H GLY A 44 -4.669 3.215 -6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.433 4.611 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.271 2.889 -3.857 1.00 0.00 H new ATOM 652 N PHE A 45 -2.034 4.904 -3.571 1.00 0.00 N ATOM 653 CA PHE A 45 -0.596 5.081 -3.504 1.00 0.00 C ATOM 654 C PHE A 45 -0.054 4.638 -2.154 1.00 0.00 C ATOM 655 O PHE A 45 -0.303 5.286 -1.013 1.00 0.00 O ATOM 656 CB PHE A 45 -0.137 6.489 -3.871 1.00 0.00 C ATOM 657 CG PHE A 45 1.344 6.666 -3.836 1.00 0.00 C ATOM 658 CD1 PHE A 45 2.167 5.696 -4.352 1.00 0.00 C ATOM 659 CD2 PHE A 45 1.910 7.805 -3.297 1.00 0.00 C ATOM 660 CE1 PHE A 45 3.510 5.844 -4.332 1.00 0.00 C ATOM 661 CE2 PHE A 45 3.277 7.962 -3.280 1.00 0.00 C ATOM 662 CZ PHE A 45 4.081 6.978 -3.799 1.00 0.00 C ATOM 0 H PHE A 45 -2.568 5.508 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.170 4.432 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.499 6.731 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.595 7.201 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.735 4.803 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.276 8.577 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.141 5.067 -4.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.715 8.855 -2.860 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.155 7.092 -3.789 1.00 0.00 H new ATOM 672 N HIS A 46 0.685 3.614 -2.216 1.00 0.00 N ATOM 673 CA HIS A 46 1.189 2.955 -1.099 1.00 0.00 C ATOM 674 C HIS A 46 2.650 3.199 -0.968 1.00 0.00 C ATOM 675 O HIS A 46 3.395 3.053 -1.919 1.00 0.00 O ATOM 676 CB HIS A 46 0.939 1.516 -1.250 1.00 0.00 C ATOM 677 CG HIS A 46 -0.439 1.051 -0.973 1.00 0.00 C ATOM 678 ND1 HIS A 46 -1.281 0.533 -1.933 1.00 0.00 N ATOM 679 CD2 HIS A 46 -1.094 0.947 0.181 1.00 0.00 C ATOM 680 CE1 HIS A 46 -2.383 0.130 -1.369 1.00 0.00 C ATOM 681 NE2 HIS A 46 -2.298 0.369 -0.088 1.00 0.00 N ATOM 0 H HIS A 46 0.970 3.190 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 46 0.696 3.330 -0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.197 1.230 -2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.619 0.980 -0.588 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.073 0.474 -2.930 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.737 1.262 1.150 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.223 -0.324 -1.874 1.00 0.00 H new ATOM 690 N VAL A 47 2.988 3.678 0.168 1.00 0.00 N ATOM 691 CA VAL A 47 4.328 3.967 0.579 1.00 0.00 C ATOM 692 C VAL A 47 4.337 4.402 2.052 1.00 0.00 C ATOM 693 O VAL A 47 4.115 5.565 2.379 1.00 0.00 O ATOM 694 CB VAL A 47 5.094 4.991 -0.353 1.00 0.00 C ATOM 695 CG1 VAL A 47 4.413 6.354 -0.424 1.00 0.00 C ATOM 696 CG2 VAL A 47 6.554 5.130 0.067 1.00 0.00 C ATOM 0 H VAL A 47 2.300 3.896 0.889 1.00 0.00 H new ATOM 0 HA VAL A 47 4.895 3.042 0.474 1.00 0.00 H new ATOM 0 HB VAL A 47 5.061 4.575 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.985 7.013 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.404 6.236 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.363 6.788 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.056 5.840 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.604 5.490 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.047 4.160 -0.003 1.00 0.00 H new ATOM 706 N HIS A 48 4.424 3.476 2.933 1.00 0.00 N ATOM 707 CA HIS A 48 4.717 3.828 4.301 1.00 0.00 C ATOM 708 C HIS A 48 6.072 3.363 4.796 1.00 0.00 C ATOM 709 O HIS A 48 6.778 2.584 4.147 1.00 0.00 O ATOM 710 CB HIS A 48 3.622 3.427 5.262 1.00 0.00 C ATOM 711 CG HIS A 48 2.602 4.492 5.484 1.00 0.00 C ATOM 712 ND1 HIS A 48 1.644 4.394 6.445 1.00 0.00 N ATOM 713 CD2 HIS A 48 2.437 5.715 4.913 1.00 0.00 C ATOM 714 CE1 HIS A 48 0.935 5.506 6.466 1.00 0.00 C ATOM 715 NE2 HIS A 48 1.391 6.324 5.549 1.00 0.00 N ATOM 0 H HIS A 48 4.301 2.480 2.752 1.00 0.00 H new ATOM 0 HA HIS A 48 4.762 4.917 4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.126 2.534 4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.070 3.160 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.024 6.129 4.106 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.110 5.710 7.133 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.028 7.255 5.345 1.00 0.00 H new ATOM 724 N GLU A 49 6.407 3.848 5.966 1.00 0.00 N ATOM 725 CA GLU A 49 7.670 3.530 6.660 1.00 0.00 C ATOM 726 C GLU A 49 7.440 3.334 8.180 1.00 0.00 C ATOM 727 O GLU A 49 6.736 4.101 8.794 1.00 0.00 O ATOM 728 CB GLU A 49 8.769 4.608 6.405 1.00 0.00 C ATOM 729 CG GLU A 49 10.087 4.305 7.125 1.00 0.00 C ATOM 730 CD GLU A 49 11.273 5.180 6.761 1.00 0.00 C ATOM 731 OE1 GLU A 49 11.487 6.221 7.415 1.00 0.00 O ATOM 732 OE2 GLU A 49 12.063 4.804 5.891 1.00 0.00 O ATOM 0 H GLU A 49 5.810 4.489 6.488 1.00 0.00 H new ATOM 0 HA GLU A 49 8.031 2.591 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.956 4.681 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.399 5.580 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.917 4.390 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.354 3.267 6.925 1.00 0.00 H new ATOM 739 N PHE A 50 8.006 2.246 8.712 1.00 0.00 N ATOM 740 CA PHE A 50 8.042 1.864 10.126 1.00 0.00 C ATOM 741 C PHE A 50 6.692 1.299 10.580 1.00 0.00 C ATOM 742 O PHE A 50 6.411 1.223 11.767 1.00 0.00 O ATOM 743 CB PHE A 50 8.547 3.054 11.007 1.00 0.00 C ATOM 744 CG PHE A 50 8.789 2.717 12.456 1.00 0.00 C ATOM 745 CD1 PHE A 50 9.757 1.795 12.809 1.00 0.00 C ATOM 746 CD2 PHE A 50 8.029 3.303 13.459 1.00 0.00 C ATOM 747 CE1 PHE A 50 9.967 1.465 14.128 1.00 0.00 C ATOM 748 CE2 PHE A 50 8.233 2.973 14.781 1.00 0.00 C ATOM 749 CZ PHE A 50 9.204 2.052 15.116 1.00 0.00 C ATOM 0 H PHE A 50 8.484 1.562 8.125 1.00 0.00 H new ATOM 0 HA PHE A 50 8.763 1.057 10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.474 3.435 10.579 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.816 3.861 10.955 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.355 1.328 12.040 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.269 4.026 13.200 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.729 0.746 14.390 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.635 3.434 15.553 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.367 1.791 16.151 1.00 0.00 H new ATOM 759 N GLY A 51 5.938 0.723 9.605 1.00 0.00 N ATOM 760 CA GLY A 51 4.556 0.290 9.877 1.00 0.00 C ATOM 761 C GLY A 51 3.811 1.151 10.861 1.00 0.00 C ATOM 762 O GLY A 51 3.575 2.327 10.610 1.00 0.00 O ATOM 0 H GLY A 51 6.260 0.555 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.003 0.273 8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.577 -0.733 10.253 1.00 0.00 H new ATOM 766 N ASP A 52 3.323 0.489 11.882 1.00 0.00 N ATOM 767 CA ASP A 52 2.841 1.100 13.162 1.00 0.00 C ATOM 768 C ASP A 52 2.126 0.036 13.961 1.00 0.00 C ATOM 769 O ASP A 52 2.694 -0.572 14.877 1.00 0.00 O ATOM 770 CB ASP A 52 1.902 2.313 12.987 1.00 0.00 C ATOM 771 CG ASP A 52 1.670 3.059 14.295 1.00 0.00 C ATOM 772 OD1 ASP A 52 1.060 2.515 15.215 1.00 0.00 O ATOM 773 OD2 ASP A 52 2.119 4.210 14.411 1.00 0.00 O ATOM 0 H ASP A 52 3.234 -0.527 11.875 1.00 0.00 H new ATOM 0 HA ASP A 52 3.726 1.480 13.673 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.328 2.996 12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.945 1.974 12.590 1.00 0.00 H new ATOM 778 N ASN A 53 0.890 -0.191 13.596 1.00 0.00 N ATOM 779 CA ASN A 53 0.066 -1.230 14.128 1.00 0.00 C ATOM 780 C ASN A 53 -1.031 -1.407 13.123 1.00 0.00 C ATOM 781 O ASN A 53 -1.269 -0.502 12.305 1.00 0.00 O ATOM 782 CB ASN A 53 -0.496 -0.929 15.553 1.00 0.00 C ATOM 783 CG ASN A 53 -1.608 0.114 15.627 1.00 0.00 C ATOM 784 OD1 ASN A 53 -2.789 -0.214 15.534 1.00 0.00 O ATOM 785 ND2 ASN A 53 -1.259 1.352 15.782 1.00 0.00 N ATOM 0 H ASN A 53 0.416 0.371 12.889 1.00 0.00 H new ATOM 0 HA ASN A 53 0.650 -2.138 14.276 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.870 -1.860 15.979 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.328 -0.598 16.185 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.971 2.081 15.829 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.272 1.598 15.857 1.00 0.00 H new ATOM 792 N THR A 54 -1.691 -2.508 13.155 1.00 0.00 N ATOM 793 CA THR A 54 -2.638 -2.842 12.125 1.00 0.00 C ATOM 794 C THR A 54 -4.003 -2.138 12.275 1.00 0.00 C ATOM 795 O THR A 54 -4.933 -2.415 11.514 1.00 0.00 O ATOM 796 CB THR A 54 -2.811 -4.369 12.025 1.00 0.00 C ATOM 797 OG1 THR A 54 -3.418 -4.711 10.780 1.00 0.00 O ATOM 798 CG2 THR A 54 -3.645 -4.927 13.175 1.00 0.00 C ATOM 0 H THR A 54 -1.598 -3.209 13.890 1.00 0.00 H new ATOM 0 HA THR A 54 -2.216 -2.465 11.193 1.00 0.00 H new ATOM 0 HB THR A 54 -1.818 -4.815 12.088 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.076 -4.026 10.538 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.741 -6.007 13.064 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.155 -4.702 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.635 -4.471 13.161 1.00 0.00 H new ATOM 806 N ALA A 55 -4.125 -1.257 13.228 1.00 0.00 N ATOM 807 CA ALA A 55 -5.368 -0.564 13.416 1.00 0.00 C ATOM 808 C ALA A 55 -5.180 0.939 13.319 1.00 0.00 C ATOM 809 O ALA A 55 -6.133 1.699 13.512 1.00 0.00 O ATOM 810 CB ALA A 55 -5.989 -0.948 14.746 1.00 0.00 C ATOM 0 H ALA A 55 -3.385 -1.003 13.882 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.048 -0.862 12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.931 -0.415 14.875 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.174 -2.022 14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.308 -0.683 15.555 1.00 0.00 H new ATOM 816 N GLY A 56 -3.960 1.387 13.039 1.00 0.00 N ATOM 817 CA GLY A 56 -3.757 2.802 12.931 1.00 0.00 C ATOM 818 C GLY A 56 -2.328 3.132 12.697 1.00 0.00 C ATOM 819 O GLY A 56 -1.467 2.606 13.337 1.00 0.00 O ATOM 0 H GLY A 56 -3.135 0.806 12.890 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.361 3.196 12.113 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.099 3.290 13.844 1.00 0.00 H new ATOM 823 N CYS A 57 -2.063 3.886 11.703 1.00 0.00 N ATOM 824 CA CYS A 57 -0.738 4.294 11.440 1.00 0.00 C ATOM 825 C CYS A 57 -0.464 5.689 11.939 1.00 0.00 C ATOM 826 O CYS A 57 -0.704 6.664 11.238 1.00 0.00 O ATOM 827 CB CYS A 57 -0.363 4.078 9.986 1.00 0.00 C ATOM 828 SG CYS A 57 -1.464 4.817 8.733 1.00 0.00 S ATOM 0 H CYS A 57 -2.759 4.240 11.046 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.073 3.649 12.015 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.641 4.474 9.832 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.314 3.004 9.804 1.00 0.00 H new ATOM 833 N THR A 58 -0.036 5.787 13.164 1.00 0.00 N ATOM 834 CA THR A 58 0.285 7.053 13.740 1.00 0.00 C ATOM 835 C THR A 58 1.665 7.496 13.248 1.00 0.00 C ATOM 836 O THR A 58 1.815 8.561 12.637 1.00 0.00 O ATOM 837 CB THR A 58 0.268 6.946 15.279 1.00 0.00 C ATOM 838 OG1 THR A 58 -0.989 6.371 15.681 1.00 0.00 O ATOM 839 CG2 THR A 58 0.418 8.319 15.928 1.00 0.00 C ATOM 0 H THR A 58 0.099 4.991 13.788 1.00 0.00 H new ATOM 0 HA THR A 58 -0.455 7.794 13.437 1.00 0.00 H new ATOM 0 HB THR A 58 1.103 6.323 15.599 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.016 6.294 16.658 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.403 8.212 17.013 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.364 8.765 15.621 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.405 8.961 15.615 1.00 0.00 H new ATOM 847 N SER A 59 2.625 6.612 13.428 1.00 0.00 N ATOM 848 CA SER A 59 4.015 6.878 13.150 1.00 0.00 C ATOM 849 C SER A 59 4.274 6.996 11.644 1.00 0.00 C ATOM 850 O SER A 59 4.813 8.004 11.173 1.00 0.00 O ATOM 851 CB SER A 59 4.845 5.754 13.773 1.00 0.00 C ATOM 852 OG SER A 59 4.371 5.486 15.107 1.00 0.00 O ATOM 0 H SER A 59 2.453 5.670 13.779 1.00 0.00 H new ATOM 0 HA SER A 59 4.302 7.835 13.585 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.773 4.854 13.163 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.897 6.037 13.800 1.00 0.00 H new ATOM 0 HG SER A 59 3.650 4.823 15.071 1.00 0.00 H new ATOM 858 N ALA A 60 3.856 5.997 10.879 1.00 0.00 N ATOM 859 CA ALA A 60 3.999 6.058 9.449 1.00 0.00 C ATOM 860 C ALA A 60 2.979 6.955 8.793 1.00 0.00 C ATOM 861 O ALA A 60 3.113 7.217 7.628 1.00 0.00 O ATOM 862 CB ALA A 60 3.865 4.696 8.861 1.00 0.00 C ATOM 0 H ALA A 60 3.420 5.145 11.230 1.00 0.00 H new ATOM 0 HA ALA A 60 4.989 6.472 9.261 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.975 4.755 7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.638 4.046 9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.883 4.290 9.104 1.00 0.00 H new ATOM 868 N GLY A 61 1.975 7.416 9.548 1.00 0.00 N ATOM 869 CA GLY A 61 0.831 8.193 9.000 1.00 0.00 C ATOM 870 C GLY A 61 1.190 9.149 7.855 1.00 0.00 C ATOM 871 O GLY A 61 0.793 8.904 6.699 1.00 0.00 O ATOM 0 H GLY A 61 1.922 7.267 10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.072 7.495 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.382 8.770 9.808 1.00 0.00 H new ATOM 875 N PRO A 62 1.947 10.210 8.127 1.00 0.00 N ATOM 876 CA PRO A 62 2.401 11.149 7.113 1.00 0.00 C ATOM 877 C PRO A 62 3.802 10.794 6.578 1.00 0.00 C ATOM 878 O PRO A 62 4.424 11.579 5.850 1.00 0.00 O ATOM 879 CB PRO A 62 2.439 12.483 7.872 1.00 0.00 C ATOM 880 CG PRO A 62 2.612 12.127 9.329 1.00 0.00 C ATOM 881 CD PRO A 62 2.402 10.634 9.470 1.00 0.00 C ATOM 0 HA PRO A 62 1.755 11.156 6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.261 13.108 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.520 13.048 7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.607 12.407 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.896 12.673 9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.323 10.127 9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 62 1.659 10.405 10.234 1.00 0.00 H new ATOM 889 N HIS A 63 4.316 9.644 6.976 1.00 0.00 N ATOM 890 CA HIS A 63 5.676 9.309 6.679 1.00 0.00 C ATOM 891 C HIS A 63 5.836 8.118 5.708 1.00 0.00 C ATOM 892 O HIS A 63 5.365 6.999 5.950 1.00 0.00 O ATOM 893 CB HIS A 63 6.462 9.130 7.975 1.00 0.00 C ATOM 894 CG HIS A 63 7.923 8.965 7.783 1.00 0.00 C ATOM 895 ND1 HIS A 63 8.721 9.924 7.201 1.00 0.00 N ATOM 896 CD2 HIS A 63 8.729 7.939 8.077 1.00 0.00 C ATOM 897 CE1 HIS A 63 9.951 9.477 7.148 1.00 0.00 C ATOM 898 NE2 HIS A 63 9.977 8.282 7.676 1.00 0.00 N ATOM 0 H HIS A 63 3.805 8.936 7.503 1.00 0.00 H new ATOM 0 HA HIS A 63 6.101 10.149 6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.287 9.994 8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 63 6.076 8.258 8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.439 7.010 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.799 10.006 6.738 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.808 7.698 7.771 1.00 0.00 H new ATOM 907 N PHE A 64 6.530 8.409 4.648 1.00 0.00 N ATOM 908 CA PHE A 64 6.864 7.507 3.547 1.00 0.00 C ATOM 909 C PHE A 64 8.274 6.962 3.768 1.00 0.00 C ATOM 910 O PHE A 64 8.979 7.444 4.667 1.00 0.00 O ATOM 911 CB PHE A 64 6.878 8.344 2.248 1.00 0.00 C ATOM 912 CG PHE A 64 7.912 9.483 2.267 1.00 0.00 C ATOM 913 CD1 PHE A 64 7.673 10.658 2.972 1.00 0.00 C ATOM 914 CD2 PHE A 64 9.116 9.361 1.595 1.00 0.00 C ATOM 915 CE1 PHE A 64 8.607 11.669 3.002 1.00 0.00 C ATOM 916 CE2 PHE A 64 10.052 10.375 1.622 1.00 0.00 C ATOM 917 CZ PHE A 64 9.797 11.527 2.327 1.00 0.00 C ATOM 0 H PHE A 64 6.912 9.344 4.505 1.00 0.00 H new ATOM 0 HA PHE A 64 6.146 6.689 3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.087 7.687 1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.886 8.766 2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.741 10.779 3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.326 8.458 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.405 12.574 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.985 10.263 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.530 12.320 2.351 1.00 0.00 H new ATOM 927 N ASN A 65 8.701 5.975 2.982 1.00 0.00 N ATOM 928 CA ASN A 65 10.095 5.587 3.059 1.00 0.00 C ATOM 929 C ASN A 65 10.826 6.321 1.913 1.00 0.00 C ATOM 930 O ASN A 65 10.276 6.436 0.806 1.00 0.00 O ATOM 931 CB ASN A 65 10.317 4.033 3.023 1.00 0.00 C ATOM 932 CG ASN A 65 10.268 3.372 1.651 1.00 0.00 C ATOM 933 OD1 ASN A 65 9.213 2.945 1.171 1.00 0.00 O ATOM 934 ND2 ASN A 65 11.420 3.188 1.055 1.00 0.00 N ATOM 0 H ASN A 65 8.129 5.455 2.317 1.00 0.00 H new ATOM 0 HA ASN A 65 10.506 5.879 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.286 3.816 3.472 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.561 3.565 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.462 2.681 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.275 3.552 1.475 1.00 0.00 H new ATOM 941 N PRO A 66 12.072 6.781 2.140 1.00 0.00 N ATOM 942 CA PRO A 66 12.773 7.710 1.224 1.00 0.00 C ATOM 943 C PRO A 66 12.999 7.221 -0.210 1.00 0.00 C ATOM 944 O PRO A 66 12.557 7.857 -1.169 1.00 0.00 O ATOM 945 CB PRO A 66 14.126 7.947 1.914 1.00 0.00 C ATOM 946 CG PRO A 66 13.898 7.586 3.335 1.00 0.00 C ATOM 947 CD PRO A 66 12.904 6.469 3.316 1.00 0.00 C ATOM 0 HA PRO A 66 12.154 8.595 1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.909 7.332 1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.443 8.985 1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.827 7.275 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.518 8.438 3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.390 5.498 3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.313 6.440 4.231 1.00 0.00 H new ATOM 955 N LEU A 67 13.601 6.071 -0.365 1.00 0.00 N ATOM 956 CA LEU A 67 14.077 5.636 -1.657 1.00 0.00 C ATOM 957 C LEU A 67 13.062 4.800 -2.371 1.00 0.00 C ATOM 958 O LEU A 67 13.417 3.982 -3.163 1.00 0.00 O ATOM 959 CB LEU A 67 15.382 4.845 -1.498 1.00 0.00 C ATOM 960 CG LEU A 67 16.581 5.606 -0.921 1.00 0.00 C ATOM 961 CD1 LEU A 67 17.778 4.682 -0.788 1.00 0.00 C ATOM 962 CD2 LEU A 67 16.931 6.800 -1.800 1.00 0.00 C ATOM 0 H LEU A 67 13.776 5.412 0.393 1.00 0.00 H new ATOM 0 HA LEU A 67 14.258 6.527 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 67 15.184 3.986 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 15.665 4.455 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 67 16.311 5.974 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.622 5.236 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 67 17.528 3.856 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.045 4.289 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 67 17.784 7.328 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 67 17.182 6.453 -2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 67 16.077 7.475 -1.854 1.00 0.00 H new ATOM 974 N SER A 68 11.817 4.985 -2.068 1.00 0.00 N ATOM 975 CA SER A 68 10.774 4.253 -2.737 1.00 0.00 C ATOM 976 C SER A 68 9.590 5.134 -2.887 1.00 0.00 C ATOM 977 O SER A 68 8.447 4.667 -2.933 1.00 0.00 O ATOM 978 CB SER A 68 10.383 3.068 -1.920 1.00 0.00 C ATOM 979 OG SER A 68 11.497 2.230 -1.627 1.00 0.00 O ATOM 0 H SER A 68 11.490 5.640 -1.358 1.00 0.00 H new ATOM 0 HA SER A 68 11.133 3.924 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.928 3.404 -0.989 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.627 2.493 -2.455 1.00 0.00 H new ATOM 0 HG SER A 68 11.932 1.961 -2.463 1.00 0.00 H new ATOM 985 N ARG A 69 9.851 6.391 -3.004 1.00 0.00 N ATOM 986 CA ARG A 69 8.803 7.333 -3.080 1.00 0.00 C ATOM 987 C ARG A 69 8.954 8.198 -4.305 1.00 0.00 C ATOM 988 O ARG A 69 7.965 8.532 -4.868 1.00 0.00 O ATOM 989 CB ARG A 69 8.801 8.189 -1.781 1.00 0.00 C ATOM 990 CG ARG A 69 7.607 9.155 -1.557 1.00 0.00 C ATOM 991 CD ARG A 69 7.588 10.360 -2.504 1.00 0.00 C ATOM 992 NE ARG A 69 8.821 11.178 -2.428 1.00 0.00 N ATOM 993 CZ ARG A 69 9.132 12.181 -3.273 1.00 0.00 C ATOM 994 NH1 ARG A 69 8.275 12.543 -4.222 1.00 0.00 N ATOM 995 NH2 ARG A 69 10.264 12.851 -3.125 1.00 0.00 N ATOM 0 H ARG A 69 10.790 6.786 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 69 7.848 6.815 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.846 7.509 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.717 8.779 -1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.677 8.599 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.634 9.516 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.455 10.008 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.728 10.987 -2.268 1.00 0.00 H new ATOM 0 HE ARG A 69 9.483 10.967 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.380 12.062 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.512 13.302 -4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.905 12.609 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.495 13.609 -3.767 1.00 0.00 H new ATOM 1009 N LYS A 70 10.205 8.388 -4.792 1.00 0.00 N ATOM 1010 CA LYS A 70 10.605 9.440 -5.782 1.00 0.00 C ATOM 1011 C LYS A 70 9.738 9.686 -7.026 1.00 0.00 C ATOM 1012 O LYS A 70 10.200 9.530 -8.150 1.00 0.00 O ATOM 1013 CB LYS A 70 12.080 9.374 -6.209 1.00 0.00 C ATOM 1014 CG LYS A 70 13.092 9.887 -5.211 1.00 0.00 C ATOM 1015 CD LYS A 70 13.366 8.940 -4.080 1.00 0.00 C ATOM 1016 CE LYS A 70 14.451 9.507 -3.185 1.00 0.00 C ATOM 1017 NZ LYS A 70 15.700 9.802 -3.938 1.00 0.00 N ATOM 0 H LYS A 70 10.990 7.803 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 70 10.415 10.307 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.323 8.337 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.194 9.941 -7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.027 10.096 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.737 10.833 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.456 8.775 -3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.675 7.971 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.090 10.420 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.669 8.798 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.500 9.858 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.876 9.045 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.599 10.709 -4.436 1.00 0.00 H new ATOM 1031 N HIS A 71 8.509 10.052 -6.809 1.00 0.00 N ATOM 1032 CA HIS A 71 7.579 10.623 -7.785 1.00 0.00 C ATOM 1033 C HIS A 71 7.481 9.919 -9.181 1.00 0.00 C ATOM 1034 O HIS A 71 7.816 10.525 -10.201 1.00 0.00 O ATOM 1035 CB HIS A 71 7.851 12.155 -7.904 1.00 0.00 C ATOM 1036 CG HIS A 71 6.914 12.948 -8.784 1.00 0.00 C ATOM 1037 ND1 HIS A 71 5.600 13.193 -8.674 1.00 0.00 N flip ATOM 1038 CD2 HIS A 71 7.332 13.637 -9.896 1.00 0.00 C flip ATOM 1039 CE1 HIS A 71 5.252 14.017 -9.709 1.00 0.00 C flip ATOM 1040 NE2 HIS A 71 6.318 14.266 -10.428 1.00 0.00 N flip ATOM 0 H HIS A 71 8.084 9.960 -5.886 1.00 0.00 H new ATOM 0 HA HIS A 71 6.583 10.433 -7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.821 12.584 -6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.865 12.292 -8.279 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.344 13.656 -10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.261 14.400 -9.902 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.351 14.852 -11.262 1.00 0.00 H new ATOM 1049 N GLY A 72 7.130 8.637 -9.229 1.00 0.00 N ATOM 1050 CA GLY A 72 6.680 8.121 -10.533 1.00 0.00 C ATOM 1051 C GLY A 72 7.288 6.823 -10.958 1.00 0.00 C ATOM 1052 O GLY A 72 8.306 6.798 -11.638 1.00 0.00 O ATOM 0 H GLY A 72 7.141 7.976 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.597 8.002 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.897 8.870 -11.295 1.00 0.00 H new ATOM 1056 N GLY A 73 6.673 5.743 -10.567 1.00 0.00 N ATOM 1057 CA GLY A 73 7.225 4.443 -10.928 1.00 0.00 C ATOM 1058 C GLY A 73 6.286 3.299 -10.613 1.00 0.00 C ATOM 1059 O GLY A 73 6.295 2.837 -9.494 1.00 0.00 O ATOM 0 H GLY A 73 5.815 5.720 -10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.456 4.435 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.165 4.292 -10.397 1.00 0.00 H new ATOM 1063 N PRO A 74 5.473 2.807 -11.552 1.00 0.00 N ATOM 1064 CA PRO A 74 4.470 1.763 -11.248 1.00 0.00 C ATOM 1065 C PRO A 74 5.091 0.416 -10.819 1.00 0.00 C ATOM 1066 O PRO A 74 4.626 -0.216 -9.883 1.00 0.00 O ATOM 1067 CB PRO A 74 3.676 1.625 -12.553 1.00 0.00 C ATOM 1068 CG PRO A 74 4.567 2.168 -13.625 1.00 0.00 C ATOM 1069 CD PRO A 74 5.462 3.191 -12.977 1.00 0.00 C ATOM 0 HA PRO A 74 3.853 2.044 -10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.419 0.584 -12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.740 2.181 -12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.157 1.371 -14.077 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.979 2.621 -14.423 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.465 3.171 -13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.078 4.202 -13.115 1.00 0.00 H new ATOM 1077 N LYS A 75 6.160 0.052 -11.488 1.00 0.00 N ATOM 1078 CA LYS A 75 6.901 -1.200 -11.282 1.00 0.00 C ATOM 1079 C LYS A 75 8.246 -0.912 -10.658 1.00 0.00 C ATOM 1080 O LYS A 75 9.144 -1.750 -10.670 1.00 0.00 O ATOM 1081 CB LYS A 75 7.130 -1.872 -12.669 1.00 0.00 C ATOM 1082 CG LYS A 75 7.421 -0.886 -13.854 1.00 0.00 C ATOM 1083 CD LYS A 75 8.666 0.012 -13.670 1.00 0.00 C ATOM 1084 CE LYS A 75 9.974 -0.748 -13.817 1.00 0.00 C ATOM 1085 NZ LYS A 75 10.216 -1.159 -15.212 1.00 0.00 N ATOM 0 H LYS A 75 6.564 0.633 -12.222 1.00 0.00 H new ATOM 0 HA LYS A 75 6.331 -1.854 -10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.965 -2.567 -12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.248 -2.462 -12.918 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.543 -1.467 -14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.549 -0.247 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.637 0.819 -14.403 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.630 0.475 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.798 -0.122 -13.475 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.956 -1.630 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.192 -1.506 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.552 -1.917 -15.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.075 -0.345 -15.843 1.00 0.00 H new ATOM 1099 N ASP A 76 8.369 0.254 -10.127 1.00 0.00 N ATOM 1100 CA ASP A 76 9.653 0.781 -9.738 1.00 0.00 C ATOM 1101 C ASP A 76 9.984 0.395 -8.277 1.00 0.00 C ATOM 1102 O ASP A 76 9.281 -0.423 -7.683 1.00 0.00 O ATOM 1103 CB ASP A 76 9.595 2.288 -9.966 1.00 0.00 C ATOM 1104 CG ASP A 76 10.903 2.980 -9.922 1.00 0.00 C ATOM 1105 OD1 ASP A 76 11.292 3.386 -8.849 1.00 0.00 O ATOM 1106 OD2 ASP A 76 11.547 3.154 -10.982 1.00 0.00 O ATOM 0 H ASP A 76 7.585 0.881 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 76 10.463 0.359 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.134 2.476 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.942 2.729 -9.213 1.00 0.00 H new ATOM 1111 N GLU A 77 11.051 0.938 -7.724 1.00 0.00 N ATOM 1112 CA GLU A 77 11.467 0.626 -6.388 1.00 0.00 C ATOM 1113 C GLU A 77 12.013 1.865 -5.679 1.00 0.00 C ATOM 1114 O GLU A 77 12.284 1.829 -4.468 1.00 0.00 O ATOM 1115 CB GLU A 77 12.531 -0.508 -6.367 1.00 0.00 C ATOM 1116 CG GLU A 77 13.890 -0.185 -7.026 1.00 0.00 C ATOM 1117 CD GLU A 77 13.844 -0.031 -8.535 1.00 0.00 C ATOM 1118 OE1 GLU A 77 13.924 -1.050 -9.254 1.00 0.00 O ATOM 1119 OE2 GLU A 77 13.754 1.101 -9.035 1.00 0.00 O ATOM 0 H GLU A 77 11.652 1.611 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 77 10.584 0.275 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.712 -0.788 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.109 -1.382 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.278 0.736 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.596 -0.977 -6.777 1.00 0.00 H new ATOM 1126 N GLU A 78 12.086 2.978 -6.397 1.00 0.00 N ATOM 1127 CA GLU A 78 12.771 4.137 -5.907 1.00 0.00 C ATOM 1128 C GLU A 78 11.914 5.369 -6.091 1.00 0.00 C ATOM 1129 O GLU A 78 11.862 6.251 -5.222 1.00 0.00 O ATOM 1130 CB GLU A 78 14.110 4.296 -6.645 1.00 0.00 C ATOM 1131 CG GLU A 78 14.976 5.423 -6.127 1.00 0.00 C ATOM 1132 CD GLU A 78 16.198 5.664 -6.971 1.00 0.00 C ATOM 1133 OE1 GLU A 78 17.098 4.814 -7.016 1.00 0.00 O ATOM 1134 OE2 GLU A 78 16.296 6.746 -7.586 1.00 0.00 O ATOM 0 H GLU A 78 11.673 3.089 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 78 12.967 4.014 -4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.666 3.362 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.911 4.464 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.385 6.338 -6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.285 5.196 -5.107 1.00 0.00 H new ATOM 1141 N ARG A 79 11.174 5.356 -7.179 1.00 0.00 N ATOM 1142 CA ARG A 79 10.334 6.437 -7.637 1.00 0.00 C ATOM 1143 C ARG A 79 8.971 6.186 -7.106 1.00 0.00 C ATOM 1144 O ARG A 79 8.082 7.014 -7.215 1.00 0.00 O ATOM 1145 CB ARG A 79 10.313 6.584 -9.184 1.00 0.00 C ATOM 1146 CG ARG A 79 11.639 7.021 -9.843 1.00 0.00 C ATOM 1147 CD ARG A 79 12.688 5.960 -9.685 1.00 0.00 C ATOM 1148 NE ARG A 79 13.953 6.240 -10.329 1.00 0.00 N ATOM 1149 CZ ARG A 79 14.700 5.283 -10.896 1.00 0.00 C ATOM 1150 NH1 ARG A 79 14.193 4.059 -11.070 1.00 0.00 N ATOM 1151 NH2 ARG A 79 15.922 5.552 -11.322 1.00 0.00 N ATOM 0 H ARG A 79 11.142 4.547 -7.799 1.00 0.00 H new ATOM 0 HA ARG A 79 10.735 7.381 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.014 5.629 -9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.543 7.308 -9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.475 7.222 -10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.985 7.951 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.867 5.805 -8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.297 5.023 -10.082 1.00 0.00 H new ATOM 0 HE ARG A 79 14.289 7.203 -10.352 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.239 3.855 -10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.760 3.329 -11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.302 6.493 -11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.485 4.819 -11.753 1.00 0.00 H new ATOM 1165 N HIS A 80 8.802 4.964 -6.682 1.00 0.00 N ATOM 1166 CA HIS A 80 7.794 4.535 -5.771 1.00 0.00 C ATOM 1167 C HIS A 80 7.666 3.082 -5.804 1.00 0.00 C ATOM 1168 O HIS A 80 7.796 2.468 -6.839 1.00 0.00 O ATOM 1169 CB HIS A 80 6.386 5.183 -5.849 1.00 0.00 C ATOM 1170 CG HIS A 80 5.386 4.609 -6.829 1.00 0.00 C ATOM 1171 ND1 HIS A 80 4.686 3.426 -6.610 1.00 0.00 N ATOM 1172 CD2 HIS A 80 4.928 5.093 -7.978 1.00 0.00 C ATOM 1173 CE1 HIS A 80 3.846 3.226 -7.601 1.00 0.00 C ATOM 1174 NE2 HIS A 80 3.968 4.224 -8.447 1.00 0.00 N ATOM 0 H HIS A 80 9.405 4.200 -6.986 1.00 0.00 H new ATOM 0 HA HIS A 80 8.178 4.905 -4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.942 5.135 -4.855 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.518 6.238 -6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.251 6.005 -8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.173 2.388 -7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.438 4.337 -9.311 1.00 0.00 H new ATOM 1183 N VAL A 81 7.440 2.569 -4.686 1.00 0.00 N ATOM 1184 CA VAL A 81 7.052 1.236 -4.511 1.00 0.00 C ATOM 1185 C VAL A 81 6.424 1.175 -3.171 1.00 0.00 C ATOM 1186 O VAL A 81 5.243 1.049 -3.077 1.00 0.00 O ATOM 1187 CB VAL A 81 8.188 0.143 -4.733 1.00 0.00 C ATOM 1188 CG1 VAL A 81 9.376 0.267 -3.799 1.00 0.00 C ATOM 1189 CG2 VAL A 81 7.617 -1.256 -4.673 1.00 0.00 C ATOM 0 H VAL A 81 7.522 3.087 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 81 6.353 0.959 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 81 8.575 0.340 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.098 -0.518 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.845 1.241 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.040 0.167 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.415 -1.982 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.161 -1.421 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.863 -1.375 -5.451 1.00 0.00 H new ATOM 1199 N GLY A 82 7.202 1.501 -2.156 1.00 0.00 N ATOM 1200 CA GLY A 82 6.715 1.381 -0.792 1.00 0.00 C ATOM 1201 C GLY A 82 6.064 0.025 -0.587 1.00 0.00 C ATOM 1202 O GLY A 82 6.619 -0.994 -1.022 1.00 0.00 O ATOM 0 H GLY A 82 8.158 1.845 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.540 1.507 -0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.996 2.173 -0.583 1.00 0.00 H new ATOM 1206 N ASP A 83 4.947 -0.005 0.065 1.00 0.00 N ATOM 1207 CA ASP A 83 4.150 -1.220 0.121 1.00 0.00 C ATOM 1208 C ASP A 83 3.117 -1.150 -1.014 1.00 0.00 C ATOM 1209 O ASP A 83 1.950 -0.998 -0.775 1.00 0.00 O ATOM 1210 CB ASP A 83 3.403 -1.180 1.494 1.00 0.00 C ATOM 1211 CG ASP A 83 2.801 0.235 1.820 1.00 0.00 C ATOM 1212 OD1 ASP A 83 3.581 1.136 2.208 1.00 0.00 O ATOM 1213 OD2 ASP A 83 1.570 0.483 1.665 1.00 0.00 O ATOM 0 H ASP A 83 4.553 0.789 0.570 1.00 0.00 H new ATOM 0 HA ASP A 83 4.750 -2.124 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.601 -1.918 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.094 -1.467 2.287 1.00 0.00 H new ATOM 1218 N LEU A 84 3.506 -1.478 -2.203 1.00 0.00 N ATOM 1219 CA LEU A 84 2.637 -1.177 -3.347 1.00 0.00 C ATOM 1220 C LEU A 84 1.621 -2.255 -3.709 1.00 0.00 C ATOM 1221 O LEU A 84 1.872 -3.456 -3.678 1.00 0.00 O ATOM 1222 CB LEU A 84 3.450 -0.663 -4.580 1.00 0.00 C ATOM 1223 CG LEU A 84 2.776 0.314 -5.613 1.00 0.00 C ATOM 1224 CD1 LEU A 84 1.737 -0.347 -6.500 1.00 0.00 C ATOM 1225 CD2 LEU A 84 2.163 1.514 -4.905 1.00 0.00 C ATOM 0 H LEU A 84 4.387 -1.940 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 84 2.010 -0.356 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.341 -0.166 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.787 -1.539 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 84 3.582 0.642 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.319 0.392 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.204 -1.148 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.940 -0.760 -5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.703 2.175 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.405 1.172 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.941 2.056 -4.367 1.00 0.00 H new ATOM 1237 N GLY A 85 0.462 -1.747 -4.018 1.00 0.00 N ATOM 1238 CA GLY A 85 -0.676 -2.459 -4.497 1.00 0.00 C ATOM 1239 C GLY A 85 -1.630 -1.387 -4.942 1.00 0.00 C ATOM 1240 O GLY A 85 -1.492 -0.249 -4.461 1.00 0.00 O ATOM 0 H GLY A 85 0.280 -0.747 -3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.412 -3.122 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.113 -3.080 -3.716 1.00 0.00 H new ATOM 1244 N ASN A 86 -2.545 -1.653 -5.827 1.00 0.00 N ATOM 1245 CA ASN A 86 -3.454 -0.586 -6.255 1.00 0.00 C ATOM 1246 C ASN A 86 -4.855 -0.886 -5.783 1.00 0.00 C ATOM 1247 O ASN A 86 -5.206 -2.040 -5.583 1.00 0.00 O ATOM 1248 CB ASN A 86 -3.441 -0.377 -7.775 1.00 0.00 C ATOM 1249 CG ASN A 86 -4.224 0.874 -8.187 1.00 0.00 C ATOM 1250 OD1 ASN A 86 -4.274 1.875 -7.446 1.00 0.00 O ATOM 1251 ND2 ASN A 86 -4.867 0.823 -9.313 1.00 0.00 N ATOM 0 H ASN A 86 -2.694 -2.562 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.102 0.341 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.411 -0.291 -8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.869 -1.251 -8.265 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.433 1.616 -9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.806 -0.011 -9.898 1.00 0.00 H new ATOM 1258 N VAL A 87 -5.644 0.147 -5.589 1.00 0.00 N ATOM 1259 CA VAL A 87 -6.980 0.032 -5.097 1.00 0.00 C ATOM 1260 C VAL A 87 -7.958 0.565 -6.172 1.00 0.00 C ATOM 1261 O VAL A 87 -7.585 1.391 -7.008 1.00 0.00 O ATOM 1262 CB VAL A 87 -7.081 0.788 -3.729 1.00 0.00 C ATOM 1263 CG1 VAL A 87 -8.483 0.858 -3.191 1.00 0.00 C ATOM 1264 CG2 VAL A 87 -6.198 0.091 -2.711 1.00 0.00 C ATOM 0 H VAL A 87 -5.359 1.108 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.253 -1.006 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.754 1.812 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.482 1.394 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.120 1.382 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.864 -0.151 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.263 0.612 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.530 -0.939 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.165 0.099 -3.059 1.00 0.00 H new ATOM 1274 N THR A 88 -9.094 -0.072 -6.289 1.00 0.00 N ATOM 1275 CA THR A 88 -10.137 0.296 -7.200 1.00 0.00 C ATOM 1276 C THR A 88 -11.470 -0.041 -6.511 1.00 0.00 C ATOM 1277 O THR A 88 -11.862 -1.193 -6.516 1.00 0.00 O ATOM 1278 CB THR A 88 -9.968 -0.470 -8.546 1.00 0.00 C ATOM 1279 OG1 THR A 88 -8.647 -0.195 -9.074 1.00 0.00 O ATOM 1280 CG2 THR A 88 -11.013 -0.043 -9.569 1.00 0.00 C ATOM 0 H THR A 88 -9.323 -0.893 -5.729 1.00 0.00 H new ATOM 0 HA THR A 88 -10.104 1.358 -7.441 1.00 0.00 H new ATOM 0 HB THR A 88 -10.098 -1.535 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.527 -0.673 -9.921 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.864 -0.598 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.010 -0.249 -9.179 1.00 0.00 H new ATOM 0 HG23 THR A 88 -10.914 1.024 -9.766 1.00 0.00 H new ATOM 1288 N ALA A 89 -12.112 0.892 -5.863 1.00 0.00 N ATOM 1289 CA ALA A 89 -13.310 0.580 -5.152 1.00 0.00 C ATOM 1290 C ALA A 89 -14.536 0.798 -5.955 1.00 0.00 C ATOM 1291 O ALA A 89 -14.598 1.665 -6.822 1.00 0.00 O ATOM 1292 CB ALA A 89 -13.376 1.363 -3.854 1.00 0.00 C ATOM 0 H ALA A 89 -11.823 1.869 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.272 -0.486 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.296 1.113 -3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.518 1.108 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.362 2.431 -4.072 1.00 0.00 H new ATOM 1298 N ASP A 90 -15.458 -0.052 -5.708 1.00 0.00 N ATOM 1299 CA ASP A 90 -16.812 0.068 -6.179 1.00 0.00 C ATOM 1300 C ASP A 90 -17.530 0.990 -5.218 1.00 0.00 C ATOM 1301 O ASP A 90 -17.129 1.095 -4.072 1.00 0.00 O ATOM 1302 CB ASP A 90 -17.490 -1.317 -6.168 1.00 0.00 C ATOM 1303 CG ASP A 90 -18.941 -1.308 -6.620 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -19.195 -1.356 -7.834 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -19.850 -1.286 -5.761 1.00 0.00 O ATOM 0 H ASP A 90 -15.299 -0.891 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 90 -16.840 0.458 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -16.925 -1.990 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -17.439 -1.725 -5.159 1.00 0.00 H new ATOM 1310 N LYS A 91 -18.501 1.716 -5.717 1.00 0.00 N ATOM 1311 CA LYS A 91 -19.418 2.653 -4.983 1.00 0.00 C ATOM 1312 C LYS A 91 -19.931 2.165 -3.624 1.00 0.00 C ATOM 1313 O LYS A 91 -20.351 2.974 -2.808 1.00 0.00 O ATOM 1314 CB LYS A 91 -20.628 2.891 -5.867 1.00 0.00 C ATOM 1315 CG LYS A 91 -21.115 1.584 -6.436 1.00 0.00 C ATOM 1316 CD LYS A 91 -22.465 1.636 -7.049 1.00 0.00 C ATOM 1317 CE LYS A 91 -22.779 0.281 -7.639 1.00 0.00 C ATOM 1318 NZ LYS A 91 -22.459 -0.827 -6.702 1.00 0.00 N ATOM 0 H LYS A 91 -18.713 1.690 -6.714 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.826 3.544 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.423 3.365 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -20.369 3.575 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -20.403 1.244 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.121 0.838 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.210 1.905 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.500 2.403 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.836 0.238 -7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -22.214 0.149 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -22.956 -1.690 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.433 -0.999 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -22.764 -0.569 -5.742 1.00 0.00 H new ATOM 1332 N ASP A 92 -19.876 0.902 -3.380 1.00 0.00 N ATOM 1333 CA ASP A 92 -20.352 0.347 -2.126 1.00 0.00 C ATOM 1334 C ASP A 92 -19.174 -0.060 -1.287 1.00 0.00 C ATOM 1335 O ASP A 92 -19.313 -0.750 -0.281 1.00 0.00 O ATOM 1336 CB ASP A 92 -21.305 -0.843 -2.354 1.00 0.00 C ATOM 1337 CG ASP A 92 -22.643 -0.428 -2.940 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -23.446 0.211 -2.223 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -22.934 -0.755 -4.111 1.00 0.00 O ATOM 0 H ASP A 92 -19.503 0.212 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 92 -20.924 1.112 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -20.829 -1.560 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -21.473 -1.354 -1.406 1.00 0.00 H new ATOM 1344 N GLY A 93 -18.013 0.395 -1.713 1.00 0.00 N ATOM 1345 CA GLY A 93 -16.787 0.109 -1.056 1.00 0.00 C ATOM 1346 C GLY A 93 -16.372 -1.310 -1.286 1.00 0.00 C ATOM 1347 O GLY A 93 -16.666 -2.170 -0.479 1.00 0.00 O ATOM 0 H GLY A 93 -17.910 0.982 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.010 0.782 -1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.892 0.292 0.013 1.00 0.00 H new ATOM 1351 N VAL A 94 -15.700 -1.561 -2.387 1.00 0.00 N ATOM 1352 CA VAL A 94 -15.259 -2.899 -2.747 1.00 0.00 C ATOM 1353 C VAL A 94 -14.113 -2.709 -3.676 1.00 0.00 C ATOM 1354 O VAL A 94 -14.303 -2.324 -4.812 1.00 0.00 O ATOM 1355 CB VAL A 94 -16.335 -3.777 -3.525 1.00 0.00 C ATOM 1356 CG1 VAL A 94 -15.781 -5.169 -3.824 1.00 0.00 C ATOM 1357 CG2 VAL A 94 -17.668 -3.903 -2.791 1.00 0.00 C ATOM 0 H VAL A 94 -15.441 -0.843 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.036 -3.430 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.534 -3.245 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.532 -5.753 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.887 -5.080 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.528 -5.669 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.351 -4.514 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.506 -4.372 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.099 -2.912 -2.648 1.00 0.00 H new ATOM 1367 N ALA A 95 -12.946 -2.899 -3.204 1.00 0.00 N ATOM 1368 CA ALA A 95 -11.818 -2.824 -4.045 1.00 0.00 C ATOM 1369 C ALA A 95 -11.328 -4.189 -4.338 1.00 0.00 C ATOM 1370 O ALA A 95 -10.906 -4.906 -3.429 1.00 0.00 O ATOM 1371 CB ALA A 95 -10.729 -1.974 -3.442 1.00 0.00 C ATOM 0 H ALA A 95 -12.743 -3.110 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 95 -12.113 -2.343 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -9.876 -1.940 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.104 -0.963 -3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.418 -2.403 -2.489 1.00 0.00 H new ATOM 1377 N ASP A 96 -11.443 -4.572 -5.576 1.00 0.00 N ATOM 1378 CA ASP A 96 -10.918 -5.833 -6.037 1.00 0.00 C ATOM 1379 C ASP A 96 -9.480 -5.562 -6.386 1.00 0.00 C ATOM 1380 O ASP A 96 -9.179 -4.997 -7.430 1.00 0.00 O ATOM 1381 CB ASP A 96 -11.714 -6.347 -7.261 1.00 0.00 C ATOM 1382 CG ASP A 96 -11.269 -7.712 -7.784 1.00 0.00 C ATOM 1383 OD1 ASP A 96 -11.621 -8.746 -7.172 1.00 0.00 O ATOM 1384 OD2 ASP A 96 -10.632 -7.779 -8.873 1.00 0.00 O ATOM 0 H ASP A 96 -11.904 -4.020 -6.300 1.00 0.00 H new ATOM 0 HA ASP A 96 -11.002 -6.612 -5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.769 -6.402 -6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.626 -5.618 -8.067 1.00 0.00 H new ATOM 1389 N VAL A 97 -8.623 -5.816 -5.442 1.00 0.00 N ATOM 1390 CA VAL A 97 -7.222 -5.527 -5.571 1.00 0.00 C ATOM 1391 C VAL A 97 -6.510 -6.664 -6.257 1.00 0.00 C ATOM 1392 O VAL A 97 -6.343 -7.749 -5.684 1.00 0.00 O ATOM 1393 CB VAL A 97 -6.564 -5.248 -4.184 1.00 0.00 C ATOM 1394 CG1 VAL A 97 -5.070 -4.967 -4.322 1.00 0.00 C ATOM 1395 CG2 VAL A 97 -7.259 -4.082 -3.487 1.00 0.00 C ATOM 0 H VAL A 97 -8.879 -6.235 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.128 -4.626 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.682 -6.144 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.643 -4.777 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.577 -5.830 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.921 -4.093 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.787 -3.902 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.176 -3.187 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.311 -4.323 -3.337 1.00 0.00 H new ATOM 1405 N SER A 98 -6.163 -6.441 -7.494 1.00 0.00 N ATOM 1406 CA SER A 98 -5.394 -7.355 -8.281 1.00 0.00 C ATOM 1407 C SER A 98 -4.630 -6.564 -9.320 1.00 0.00 C ATOM 1408 O SER A 98 -5.214 -5.874 -10.146 1.00 0.00 O ATOM 1409 CB SER A 98 -6.287 -8.408 -8.939 1.00 0.00 C ATOM 1410 OG SER A 98 -6.984 -9.166 -7.950 1.00 0.00 O ATOM 0 H SER A 98 -6.417 -5.590 -7.995 1.00 0.00 H new ATOM 0 HA SER A 98 -4.695 -7.891 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.002 -7.922 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.681 -9.073 -9.554 1.00 0.00 H new ATOM 0 HG SER A 98 -6.338 -9.581 -7.340 1.00 0.00 H new ATOM 1416 N ILE A 99 -3.347 -6.605 -9.217 1.00 0.00 N ATOM 1417 CA ILE A 99 -2.461 -5.910 -10.119 1.00 0.00 C ATOM 1418 C ILE A 99 -1.201 -6.758 -10.218 1.00 0.00 C ATOM 1419 O ILE A 99 -0.732 -7.267 -9.196 1.00 0.00 O ATOM 1420 CB ILE A 99 -2.144 -4.452 -9.591 1.00 0.00 C ATOM 1421 CG1 ILE A 99 -1.312 -3.642 -10.594 1.00 0.00 C ATOM 1422 CG2 ILE A 99 -1.485 -4.449 -8.208 1.00 0.00 C ATOM 1423 CD1 ILE A 99 -2.051 -3.319 -11.876 1.00 0.00 C ATOM 0 H ILE A 99 -2.862 -7.132 -8.490 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.916 -5.781 -11.101 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.112 -3.962 -9.485 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.996 -2.711 -10.123 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -0.408 -4.200 -10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.292 -3.422 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.149 -4.926 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.544 -4.998 -8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.401 -2.745 -12.536 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.344 -4.245 -12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.941 -2.734 -11.645 1.00 0.00 H new ATOM 1435 N GLU A 100 -0.689 -6.980 -11.412 1.00 0.00 N ATOM 1436 CA GLU A 100 0.442 -7.864 -11.536 1.00 0.00 C ATOM 1437 C GLU A 100 1.630 -7.197 -12.225 1.00 0.00 C ATOM 1438 O GLU A 100 1.700 -7.138 -13.459 1.00 0.00 O ATOM 1439 CB GLU A 100 0.013 -9.073 -12.366 1.00 0.00 C ATOM 1440 CG GLU A 100 -1.180 -9.825 -11.807 1.00 0.00 C ATOM 1441 CD GLU A 100 -1.684 -10.875 -12.742 1.00 0.00 C ATOM 1442 OE1 GLU A 100 -0.967 -11.877 -12.983 1.00 0.00 O ATOM 1443 OE2 GLU A 100 -2.820 -10.740 -13.253 1.00 0.00 O ATOM 0 H GLU A 100 -1.028 -6.573 -12.283 1.00 0.00 H new ATOM 0 HA GLU A 100 0.759 -8.150 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.224 -8.739 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.855 -9.760 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.902 -10.289 -10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.982 -9.119 -11.592 1.00 0.00 H new ATOM 1450 N ASP A 101 2.533 -6.705 -11.420 1.00 0.00 N ATOM 1451 CA ASP A 101 3.836 -6.191 -11.815 1.00 0.00 C ATOM 1452 C ASP A 101 4.603 -6.006 -10.540 1.00 0.00 C ATOM 1453 O ASP A 101 3.984 -6.079 -9.494 1.00 0.00 O ATOM 1454 CB ASP A 101 3.783 -4.907 -12.674 1.00 0.00 C ATOM 1455 CG ASP A 101 3.266 -3.675 -11.982 1.00 0.00 C ATOM 1456 OD1 ASP A 101 2.027 -3.513 -11.855 1.00 0.00 O ATOM 1457 OD2 ASP A 101 4.066 -2.796 -11.686 1.00 0.00 O ATOM 0 H ASP A 101 2.380 -6.645 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 101 4.328 -6.899 -12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.787 -4.698 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.157 -5.101 -13.545 1.00 0.00 H new ATOM 1462 N SER A 102 5.911 -5.801 -10.598 1.00 0.00 N ATOM 1463 CA SER A 102 6.747 -5.686 -9.395 1.00 0.00 C ATOM 1464 C SER A 102 6.342 -4.507 -8.489 1.00 0.00 C ATOM 1465 O SER A 102 6.795 -3.364 -8.686 1.00 0.00 O ATOM 1466 CB SER A 102 8.200 -5.574 -9.813 1.00 0.00 C ATOM 1467 OG SER A 102 8.358 -4.550 -10.790 1.00 0.00 O ATOM 0 H SER A 102 6.428 -5.709 -11.472 1.00 0.00 H new ATOM 0 HA SER A 102 6.597 -6.585 -8.797 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.819 -5.354 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 102 8.543 -6.527 -10.216 1.00 0.00 H new ATOM 0 HG SER A 102 8.640 -3.720 -10.352 1.00 0.00 H new ATOM 1473 N VAL A 103 5.461 -4.794 -7.542 1.00 0.00 N ATOM 1474 CA VAL A 103 4.924 -3.788 -6.654 1.00 0.00 C ATOM 1475 C VAL A 103 5.250 -4.033 -5.161 1.00 0.00 C ATOM 1476 O VAL A 103 5.120 -3.141 -4.347 1.00 0.00 O ATOM 1477 CB VAL A 103 3.385 -3.611 -6.868 1.00 0.00 C ATOM 1478 CG1 VAL A 103 3.098 -3.094 -8.266 1.00 0.00 C ATOM 1479 CG2 VAL A 103 2.641 -4.917 -6.655 1.00 0.00 C ATOM 0 H VAL A 103 5.102 -5.733 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 103 5.428 -2.859 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 103 3.036 -2.887 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.022 -2.977 -8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.587 -2.130 -8.405 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.478 -3.803 -9.001 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.574 -4.758 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.004 -5.662 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.810 -5.270 -5.638 1.00 0.00 H new ATOM 1489 N ILE A 104 5.702 -5.220 -4.795 1.00 0.00 N ATOM 1490 CA ILE A 104 5.942 -5.488 -3.372 1.00 0.00 C ATOM 1491 C ILE A 104 7.405 -5.818 -3.160 1.00 0.00 C ATOM 1492 O ILE A 104 7.775 -6.510 -2.213 1.00 0.00 O ATOM 1493 CB ILE A 104 5.046 -6.620 -2.722 1.00 0.00 C ATOM 1494 CG1 ILE A 104 3.650 -6.688 -3.316 1.00 0.00 C ATOM 1495 CG2 ILE A 104 4.915 -6.396 -1.212 1.00 0.00 C ATOM 1496 CD1 ILE A 104 3.552 -7.568 -4.534 1.00 0.00 C ATOM 0 H ILE A 104 5.906 -5.992 -5.429 1.00 0.00 H new ATOM 0 HA ILE A 104 5.653 -4.570 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 104 5.552 -7.562 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.959 -7.055 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.328 -5.681 -3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.296 -7.182 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.904 -6.419 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.452 -5.427 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.526 -7.567 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.216 -7.190 -5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.842 -8.585 -4.272 1.00 0.00 H new ATOM 1508 N SER A 105 8.243 -5.323 -4.037 1.00 0.00 N ATOM 1509 CA SER A 105 9.643 -5.594 -3.956 1.00 0.00 C ATOM 1510 C SER A 105 10.218 -4.986 -2.667 1.00 0.00 C ATOM 1511 O SER A 105 10.196 -3.741 -2.427 1.00 0.00 O ATOM 1512 CB SER A 105 10.317 -4.967 -5.173 1.00 0.00 C ATOM 1513 OG SER A 105 9.590 -5.272 -6.369 1.00 0.00 O ATOM 0 H SER A 105 7.970 -4.727 -4.818 1.00 0.00 H new ATOM 0 HA SER A 105 9.820 -6.669 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.378 -3.886 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.339 -5.336 -5.259 1.00 0.00 H new ATOM 0 HG SER A 105 9.979 -6.064 -6.796 1.00 0.00 H new ATOM 1519 N LEU A 106 10.589 -5.902 -1.779 1.00 0.00 N ATOM 1520 CA LEU A 106 11.194 -5.613 -0.571 1.00 0.00 C ATOM 1521 C LEU A 106 12.600 -5.171 -0.781 1.00 0.00 C ATOM 1522 O LEU A 106 13.559 -5.931 -0.827 1.00 0.00 O ATOM 1523 CB LEU A 106 11.053 -6.788 0.452 1.00 0.00 C ATOM 1524 CG LEU A 106 11.048 -8.263 -0.090 1.00 0.00 C ATOM 1525 CD1 LEU A 106 12.322 -8.645 -0.825 1.00 0.00 C ATOM 1526 CD2 LEU A 106 10.805 -9.240 1.043 1.00 0.00 C ATOM 0 H LEU A 106 10.451 -6.901 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 106 10.668 -4.775 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.869 -6.702 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.126 -6.636 1.005 1.00 0.00 H new ATOM 0 HG LEU A 106 10.236 -8.314 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.247 -9.676 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.460 -7.984 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.173 -8.549 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.804 -10.258 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.595 -9.138 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.841 -9.028 1.506 1.00 0.00 H new ATOM 1538 N SER A 107 12.680 -3.951 -1.002 1.00 0.00 N ATOM 1539 CA SER A 107 13.850 -3.254 -1.008 1.00 0.00 C ATOM 1540 C SER A 107 13.427 -1.950 -0.490 1.00 0.00 C ATOM 1541 O SER A 107 12.950 -1.081 -1.214 1.00 0.00 O ATOM 1542 CB SER A 107 14.429 -3.151 -2.430 1.00 0.00 C ATOM 1543 OG SER A 107 14.611 -4.455 -2.984 1.00 0.00 O ATOM 0 H SER A 107 11.864 -3.371 -1.198 1.00 0.00 H new ATOM 0 HA SER A 107 14.647 -3.714 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.758 -2.570 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.382 -2.622 -2.405 1.00 0.00 H new ATOM 0 HG SER A 107 14.426 -5.130 -2.298 1.00 0.00 H new ATOM 1549 N GLY A 108 13.420 -1.890 0.778 1.00 0.00 N ATOM 1550 CA GLY A 108 13.113 -0.670 1.438 1.00 0.00 C ATOM 1551 C GLY A 108 12.697 -0.915 2.847 1.00 0.00 C ATOM 1552 O GLY A 108 12.441 -2.063 3.212 1.00 0.00 O ATOM 0 H GLY A 108 13.624 -2.675 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.983 -0.014 1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.315 -0.154 0.904 1.00 0.00 H new ATOM 1556 N ASP A 109 12.598 0.144 3.647 1.00 0.00 N ATOM 1557 CA ASP A 109 12.186 0.030 5.056 1.00 0.00 C ATOM 1558 C ASP A 109 10.846 -0.634 5.170 1.00 0.00 C ATOM 1559 O ASP A 109 10.643 -1.458 6.021 1.00 0.00 O ATOM 1560 CB ASP A 109 12.122 1.385 5.743 1.00 0.00 C ATOM 1561 CG ASP A 109 11.531 1.272 7.135 1.00 0.00 C ATOM 1562 OD1 ASP A 109 10.284 1.319 7.268 1.00 0.00 O ATOM 1563 OD2 ASP A 109 12.292 1.098 8.110 1.00 0.00 O ATOM 0 H ASP A 109 12.797 1.098 3.347 1.00 0.00 H new ATOM 0 HA ASP A 109 12.943 -0.577 5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.123 1.811 5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.521 2.070 5.145 1.00 0.00 H new ATOM 1568 N HIS A 110 9.988 -0.354 4.186 1.00 0.00 N ATOM 1569 CA HIS A 110 8.594 -0.851 4.095 1.00 0.00 C ATOM 1570 C HIS A 110 8.495 -2.373 4.187 1.00 0.00 C ATOM 1571 O HIS A 110 7.467 -2.902 4.548 1.00 0.00 O ATOM 1572 CB HIS A 110 7.951 -0.370 2.759 1.00 0.00 C ATOM 1573 CG HIS A 110 8.704 -0.756 1.483 1.00 0.00 C ATOM 1574 ND1 HIS A 110 9.400 0.159 0.715 1.00 0.00 N ATOM 1575 CD2 HIS A 110 8.837 -1.948 0.834 1.00 0.00 C ATOM 1576 CE1 HIS A 110 9.923 -0.455 -0.335 1.00 0.00 C ATOM 1577 NE2 HIS A 110 9.597 -1.729 -0.287 1.00 0.00 N ATOM 0 H HIS A 110 10.243 0.244 3.400 1.00 0.00 H new ATOM 0 HA HIS A 110 8.056 -0.441 4.950 1.00 0.00 H new ATOM 0 HB2 HIS A 110 6.940 -0.773 2.698 1.00 0.00 H new ATOM 0 HB3 HIS A 110 7.860 0.716 2.791 1.00 0.00 H new ATOM 0 HD1 HIS A 110 9.496 1.153 0.925 1.00 0.00 H new ATOM 0 HD2 HIS A 110 8.419 -2.894 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 110 10.519 0.013 -1.104 1.00 0.00 H new ATOM 0 HE2 HIS A 110 9.865 -2.437 -0.971 1.00 0.00 H new ATOM 1586 N SER A 111 9.614 -2.998 3.980 1.00 0.00 N ATOM 1587 CA SER A 111 9.785 -4.443 3.865 1.00 0.00 C ATOM 1588 C SER A 111 8.588 -5.066 3.114 1.00 0.00 C ATOM 1589 O SER A 111 7.995 -4.445 2.225 1.00 0.00 O ATOM 1590 CB SER A 111 9.946 -5.040 5.295 1.00 0.00 C ATOM 1591 OG SER A 111 10.280 -6.436 5.259 1.00 0.00 O ATOM 0 H SER A 111 10.496 -2.496 3.878 1.00 0.00 H new ATOM 0 HA SER A 111 10.679 -4.674 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 111 10.723 -4.495 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.019 -4.903 5.852 1.00 0.00 H new ATOM 0 HG SER A 111 10.374 -6.774 6.174 1.00 0.00 H new ATOM 1597 N ILE A 112 8.346 -6.286 3.370 1.00 0.00 N ATOM 1598 CA ILE A 112 7.113 -6.879 2.974 1.00 0.00 C ATOM 1599 C ILE A 112 6.212 -6.912 4.220 1.00 0.00 C ATOM 1600 O ILE A 112 5.015 -6.772 4.127 1.00 0.00 O ATOM 1601 CB ILE A 112 7.290 -8.311 2.352 1.00 0.00 C ATOM 1602 CG1 ILE A 112 5.927 -8.880 1.894 1.00 0.00 C ATOM 1603 CG2 ILE A 112 7.986 -9.267 3.326 1.00 0.00 C ATOM 1604 CD1 ILE A 112 6.006 -10.227 1.198 1.00 0.00 C ATOM 0 H ILE A 112 8.987 -6.912 3.858 1.00 0.00 H new ATOM 0 HA ILE A 112 6.662 -6.286 2.179 1.00 0.00 H new ATOM 0 HB ILE A 112 7.932 -8.215 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.276 -8.973 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.458 -8.164 1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.091 -10.247 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.972 -8.877 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.391 -9.358 4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.004 -10.548 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.627 -10.140 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.443 -10.961 1.875 1.00 0.00 H new ATOM 1616 N ILE A 113 6.850 -7.085 5.395 1.00 0.00 N ATOM 1617 CA ILE A 113 6.173 -7.171 6.697 1.00 0.00 C ATOM 1618 C ILE A 113 6.290 -5.906 7.537 1.00 0.00 C ATOM 1619 O ILE A 113 7.275 -5.174 7.445 1.00 0.00 O ATOM 1620 CB ILE A 113 6.721 -8.337 7.571 1.00 0.00 C ATOM 1621 CG1 ILE A 113 8.262 -8.264 7.705 1.00 0.00 C ATOM 1622 CG2 ILE A 113 6.271 -9.674 7.045 1.00 0.00 C ATOM 1623 CD1 ILE A 113 8.867 -9.331 8.600 1.00 0.00 C ATOM 0 H ILE A 113 7.864 -7.170 5.463 1.00 0.00 H new ATOM 0 HA ILE A 113 5.129 -7.336 6.430 1.00 0.00 H new ATOM 0 HB ILE A 113 6.303 -8.225 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.705 -8.346 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 113 8.534 -7.283 8.095 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.670 -10.467 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.182 -9.719 7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.634 -9.805 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.949 -9.205 8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.457 -9.238 9.606 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.630 -10.317 8.201 1.00 0.00 H new ATOM 1635 N GLY A 114 5.248 -5.613 8.295 1.00 0.00 N ATOM 1636 CA GLY A 114 5.358 -4.714 9.368 1.00 0.00 C ATOM 1637 C GLY A 114 4.960 -3.369 9.001 1.00 0.00 C ATOM 1638 O GLY A 114 4.910 -2.508 9.834 1.00 0.00 O ATOM 0 H GLY A 114 4.315 -6.004 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.739 -5.061 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.388 -4.701 9.725 1.00 0.00 H new ATOM 1642 N ARG A 115 4.707 -3.166 7.733 1.00 0.00 N ATOM 1643 CA ARG A 115 4.429 -1.859 7.243 1.00 0.00 C ATOM 1644 C ARG A 115 2.944 -1.595 7.242 1.00 0.00 C ATOM 1645 O ARG A 115 2.198 -2.485 7.210 1.00 0.00 O ATOM 1646 CB ARG A 115 5.044 -1.724 5.852 1.00 0.00 C ATOM 1647 CG ARG A 115 5.324 -0.317 5.428 1.00 0.00 C ATOM 1648 CD ARG A 115 6.123 0.443 6.496 1.00 0.00 C ATOM 1649 NE ARG A 115 7.566 0.009 6.798 1.00 0.00 N ATOM 1650 CZ ARG A 115 8.016 -0.928 7.724 1.00 0.00 C ATOM 1651 NH1 ARG A 115 7.378 -2.011 7.961 1.00 0.00 N ATOM 1652 NH2 ARG A 115 9.194 -0.801 8.263 1.00 0.00 N ATOM 0 H ARG A 115 4.690 -3.900 7.025 1.00 0.00 H new ATOM 0 HA ARG A 115 4.873 -1.107 7.895 1.00 0.00 H new ATOM 0 HB2 ARG A 115 5.975 -2.290 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.372 -2.181 5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.880 -0.322 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 115 4.384 0.201 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 115 6.150 1.492 6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 115 5.561 0.388 7.428 1.00 0.00 H new ATOM 0 HE ARG A 115 8.291 0.469 6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 115 6.510 -2.210 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 115 7.738 -2.675 8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 115 9.790 -0.014 8.007 1.00 0.00 H new ATOM 0 HH22 ARG A 115 9.521 -1.489 8.941 1.00 0.00 H new ATOM 1666 N THR A 116 2.536 -0.374 7.380 1.00 0.00 N ATOM 1667 CA THR A 116 1.172 -0.047 7.253 1.00 0.00 C ATOM 1668 C THR A 116 0.878 0.333 5.819 1.00 0.00 C ATOM 1669 O THR A 116 1.373 1.344 5.316 1.00 0.00 O ATOM 1670 CB THR A 116 0.769 1.062 8.243 1.00 0.00 C ATOM 1671 OG1 THR A 116 1.787 2.109 8.274 1.00 0.00 O ATOM 1672 CG2 THR A 116 0.568 0.472 9.634 1.00 0.00 C ATOM 0 H THR A 116 3.147 0.417 7.584 1.00 0.00 H new ATOM 0 HA THR A 116 0.568 -0.918 7.507 1.00 0.00 H new ATOM 0 HB THR A 116 -0.170 1.505 7.912 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.580 2.787 7.597 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.283 1.263 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.219 -0.281 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 116 1.496 0.011 9.971 1.00 0.00 H new ATOM 1680 N LEU A 117 0.102 -0.494 5.187 1.00 0.00 N ATOM 1681 CA LEU A 117 -0.269 -0.361 3.799 1.00 0.00 C ATOM 1682 C LEU A 117 -1.201 0.836 3.691 1.00 0.00 C ATOM 1683 O LEU A 117 -2.405 0.692 3.901 1.00 0.00 O ATOM 1684 CB LEU A 117 -1.058 -1.639 3.454 1.00 0.00 C ATOM 1685 CG LEU A 117 -1.456 -1.893 2.009 1.00 0.00 C ATOM 1686 CD1 LEU A 117 -0.266 -2.295 1.177 1.00 0.00 C ATOM 1687 CD2 LEU A 117 -2.552 -2.936 1.928 1.00 0.00 C ATOM 0 H LEU A 117 -0.309 -1.313 5.635 1.00 0.00 H new ATOM 0 HA LEU A 117 0.589 -0.228 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.465 -2.491 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.970 -1.633 4.050 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.845 -0.960 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.583 -2.470 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 117 0.478 -1.498 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.170 -3.208 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.821 -3.101 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -2.198 -3.870 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.427 -2.588 2.477 1.00 0.00 H new ATOM 1699 N VAL A 118 -0.684 2.050 3.393 1.00 0.00 N ATOM 1700 CA VAL A 118 -1.648 3.170 3.491 1.00 0.00 C ATOM 1701 C VAL A 118 -2.230 3.820 2.222 1.00 0.00 C ATOM 1702 O VAL A 118 -1.512 4.638 1.439 1.00 0.00 O ATOM 1703 CB VAL A 118 -1.379 4.125 4.637 1.00 0.00 C ATOM 1704 CG1 VAL A 118 -2.405 5.244 4.683 1.00 0.00 C ATOM 1705 CG2 VAL A 118 -1.449 3.326 5.910 1.00 0.00 C ATOM 0 H VAL A 118 0.273 2.269 3.116 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.532 2.589 3.754 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.400 4.587 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.181 5.909 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.371 5.807 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -3.400 4.820 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.260 3.980 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -2.440 2.882 6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.698 2.536 5.886 1.00 0.00 H new ATOM 1715 N VAL A 119 -3.512 3.506 2.088 1.00 0.00 N ATOM 1716 CA VAL A 119 -4.420 3.829 1.018 1.00 0.00 C ATOM 1717 C VAL A 119 -5.821 3.965 1.658 1.00 0.00 C ATOM 1718 O VAL A 119 -5.949 3.735 2.836 1.00 0.00 O ATOM 1719 CB VAL A 119 -4.467 2.660 0.008 1.00 0.00 C ATOM 1720 CG1 VAL A 119 -5.160 1.423 0.612 1.00 0.00 C ATOM 1721 CG2 VAL A 119 -5.116 3.074 -1.285 1.00 0.00 C ATOM 0 H VAL A 119 -3.982 2.960 2.810 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.108 4.739 0.505 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.437 2.383 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.176 0.619 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.613 1.095 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.182 1.679 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.132 2.227 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -6.137 3.403 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -4.550 3.892 -1.731 1.00 0.00 H new ATOM 1731 N HIS A 120 -6.784 4.424 0.919 1.00 0.00 N ATOM 1732 CA HIS A 120 -8.208 4.377 1.300 1.00 0.00 C ATOM 1733 C HIS A 120 -8.972 4.286 -0.035 1.00 0.00 C ATOM 1734 O HIS A 120 -8.300 4.349 -1.071 1.00 0.00 O ATOM 1735 CB HIS A 120 -8.630 5.642 2.108 1.00 0.00 C ATOM 1736 CG HIS A 120 -10.062 5.618 2.632 1.00 0.00 C ATOM 1737 ND1 HIS A 120 -10.438 4.971 3.789 1.00 0.00 N ATOM 1738 CD2 HIS A 120 -11.210 6.131 2.116 1.00 0.00 C ATOM 1739 CE1 HIS A 120 -11.738 5.082 3.952 1.00 0.00 C ATOM 1740 NE2 HIS A 120 -12.237 5.775 2.953 1.00 0.00 N ATOM 0 H HIS A 120 -6.624 4.856 0.009 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.423 3.532 1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.951 5.760 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.505 6.520 1.474 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -9.805 4.481 4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.298 6.714 1.211 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -12.304 4.670 4.774 1.00 0.00 H new ATOM 1749 N GLU A 121 -10.256 4.058 -0.056 1.00 0.00 N ATOM 1750 CA GLU A 121 -10.976 4.164 -1.315 1.00 0.00 C ATOM 1751 C GLU A 121 -10.973 5.666 -1.653 1.00 0.00 C ATOM 1752 O GLU A 121 -11.877 6.407 -1.266 1.00 0.00 O ATOM 1753 CB GLU A 121 -12.462 3.698 -1.178 1.00 0.00 C ATOM 1754 CG GLU A 121 -12.748 2.525 -0.211 1.00 0.00 C ATOM 1755 CD GLU A 121 -12.631 2.934 1.256 1.00 0.00 C ATOM 1756 OE1 GLU A 121 -13.596 3.505 1.816 1.00 0.00 O ATOM 1757 OE2 GLU A 121 -11.544 2.781 1.830 1.00 0.00 O ATOM 0 H GLU A 121 -10.821 3.804 0.754 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.507 3.538 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -13.056 4.553 -0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.820 3.415 -2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.750 2.140 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.051 1.712 -0.415 1.00 0.00 H new ATOM 1764 N LYS A 122 -9.914 6.091 -2.297 1.00 0.00 N ATOM 1765 CA LYS A 122 -9.648 7.469 -2.593 1.00 0.00 C ATOM 1766 C LYS A 122 -8.435 7.449 -3.481 1.00 0.00 C ATOM 1767 O LYS A 122 -7.885 6.379 -3.702 1.00 0.00 O ATOM 1768 CB LYS A 122 -9.342 8.240 -1.276 1.00 0.00 C ATOM 1769 CG LYS A 122 -9.215 9.770 -1.399 1.00 0.00 C ATOM 1770 CD LYS A 122 -10.517 10.445 -1.843 1.00 0.00 C ATOM 1771 CE LYS A 122 -11.641 10.235 -0.833 1.00 0.00 C ATOM 1772 NZ LYS A 122 -12.907 10.873 -1.258 1.00 0.00 N ATOM 0 H LYS A 122 -9.190 5.460 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.494 7.964 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -10.131 8.018 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -8.413 7.851 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -8.908 10.182 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -8.427 10.007 -2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.345 11.513 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.820 10.047 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.805 9.167 -0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -11.339 10.641 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.640 10.703 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.760 11.897 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.212 10.468 -2.166 1.00 0.00 H new ATOM 1786 N ALA A 123 -8.064 8.555 -4.036 1.00 0.00 N ATOM 1787 CA ALA A 123 -6.847 8.623 -4.772 1.00 0.00 C ATOM 1788 C ALA A 123 -5.734 9.230 -3.904 1.00 0.00 C ATOM 1789 O ALA A 123 -5.772 10.430 -3.584 1.00 0.00 O ATOM 1790 CB ALA A 123 -7.039 9.424 -6.051 1.00 0.00 C ATOM 0 H ALA A 123 -8.590 9.428 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.550 7.612 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -6.098 9.465 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -7.799 8.946 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -7.358 10.436 -5.802 1.00 0.00 H new ATOM 1796 N ASP A 124 -4.780 8.396 -3.466 1.00 0.00 N ATOM 1797 CA ASP A 124 -3.586 8.915 -2.766 1.00 0.00 C ATOM 1798 C ASP A 124 -2.774 9.609 -3.852 1.00 0.00 C ATOM 1799 O ASP A 124 -2.542 10.816 -3.833 1.00 0.00 O ATOM 1800 CB ASP A 124 -2.648 7.791 -2.189 1.00 0.00 C ATOM 1801 CG ASP A 124 -3.080 6.911 -0.996 1.00 0.00 C ATOM 1802 OD1 ASP A 124 -4.091 6.288 -1.064 1.00 0.00 O ATOM 1803 OD2 ASP A 124 -2.204 6.690 -0.011 1.00 0.00 O ATOM 0 H ASP A 124 -4.804 7.382 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.913 9.536 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -2.419 7.116 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -1.714 8.274 -1.904 1.00 0.00 H new ATOM 1808 N ASP A 125 -2.435 8.773 -4.839 1.00 0.00 N ATOM 1809 CA ASP A 125 -1.672 9.077 -6.068 1.00 0.00 C ATOM 1810 C ASP A 125 -0.195 9.433 -5.819 1.00 0.00 C ATOM 1811 O ASP A 125 0.163 10.081 -4.838 1.00 0.00 O ATOM 1812 CB ASP A 125 -2.358 10.099 -6.962 1.00 0.00 C ATOM 1813 CG ASP A 125 -1.966 9.920 -8.410 1.00 0.00 C ATOM 1814 OD1 ASP A 125 -0.838 10.288 -8.801 1.00 0.00 O ATOM 1815 OD2 ASP A 125 -2.778 9.348 -9.175 1.00 0.00 O ATOM 0 H ASP A 125 -2.704 7.790 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.662 8.135 -6.616 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -3.439 10.004 -6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.095 11.105 -6.635 1.00 0.00 H new ATOM 1820 N LEU A 126 0.651 8.953 -6.713 1.00 0.00 N ATOM 1821 CA LEU A 126 2.084 9.106 -6.632 1.00 0.00 C ATOM 1822 C LEU A 126 2.603 10.356 -7.323 1.00 0.00 C ATOM 1823 O LEU A 126 3.619 10.928 -6.920 1.00 0.00 O ATOM 1824 CB LEU A 126 2.822 7.834 -7.137 1.00 0.00 C ATOM 1825 CG LEU A 126 2.237 6.986 -8.339 1.00 0.00 C ATOM 1826 CD1 LEU A 126 0.997 6.172 -7.958 1.00 0.00 C ATOM 1827 CD2 LEU A 126 1.972 7.817 -9.586 1.00 0.00 C ATOM 0 H LEU A 126 0.347 8.433 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 126 2.308 9.235 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.830 8.138 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.919 7.160 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 126 3.028 6.277 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.647 5.614 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.250 5.476 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.210 6.845 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.572 7.176 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.250 8.601 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.903 8.270 -9.926 1.00 0.00 H new ATOM 1839 N GLY A 127 1.936 10.748 -8.366 1.00 0.00 N ATOM 1840 CA GLY A 127 2.314 11.923 -9.083 1.00 0.00 C ATOM 1841 C GLY A 127 1.492 13.077 -8.630 1.00 0.00 C ATOM 1842 O GLY A 127 1.966 14.216 -8.539 1.00 0.00 O ATOM 0 H GLY A 127 1.120 10.264 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 127 3.372 12.133 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 127 2.179 11.766 -10.153 1.00 0.00 H new ATOM 1846 N LYS A 128 0.274 12.766 -8.300 1.00 0.00 N ATOM 1847 CA LYS A 128 -0.701 13.716 -7.855 1.00 0.00 C ATOM 1848 C LYS A 128 -0.882 13.568 -6.349 1.00 0.00 C ATOM 1849 O LYS A 128 -2.006 13.480 -5.842 1.00 0.00 O ATOM 1850 CB LYS A 128 -2.016 13.448 -8.590 1.00 0.00 C ATOM 1851 CG LYS A 128 -1.849 13.448 -10.097 1.00 0.00 C ATOM 1852 CD LYS A 128 -3.117 13.058 -10.818 1.00 0.00 C ATOM 1853 CE LYS A 128 -2.900 13.074 -12.320 1.00 0.00 C ATOM 1854 NZ LYS A 128 -1.841 12.122 -12.750 1.00 0.00 N ATOM 0 H LYS A 128 -0.080 11.810 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.377 14.734 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -2.417 12.485 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -2.747 14.206 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -1.538 14.440 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -1.052 12.757 -10.371 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -3.432 12.064 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -3.920 13.746 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.835 12.824 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -2.628 14.082 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -1.911 11.965 -13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -0.906 12.517 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -1.965 11.217 -12.252 1.00 0.00 H new ATOM 1868 N GLY A 129 0.238 13.570 -5.631 1.00 0.00 N ATOM 1869 CA GLY A 129 0.200 13.446 -4.190 1.00 0.00 C ATOM 1870 C GLY A 129 -0.246 14.737 -3.540 1.00 0.00 C ATOM 1871 O GLY A 129 -0.441 14.807 -2.326 1.00 0.00 O ATOM 0 H GLY A 129 1.174 13.656 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.480 12.641 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.188 13.172 -3.820 1.00 0.00 H new ATOM 1875 N GLY A 130 -0.382 15.768 -4.352 1.00 0.00 N ATOM 1876 CA GLY A 130 -0.873 17.025 -3.890 1.00 0.00 C ATOM 1877 C GLY A 130 -0.056 18.180 -4.396 1.00 0.00 C ATOM 1878 O GLY A 130 -0.241 18.638 -5.527 1.00 0.00 O ATOM 0 H GLY A 130 -0.152 15.745 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -1.908 17.148 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.873 17.034 -2.800 1.00 0.00 H new ATOM 1882 N ASN A 131 0.905 18.578 -3.609 1.00 0.00 N ATOM 1883 CA ASN A 131 1.729 19.786 -3.889 1.00 0.00 C ATOM 1884 C ASN A 131 3.155 19.344 -3.959 1.00 0.00 C ATOM 1885 O ASN A 131 3.386 18.135 -3.885 1.00 0.00 O ATOM 1886 CB ASN A 131 1.596 20.829 -2.755 1.00 0.00 C ATOM 1887 CG ASN A 131 0.187 21.344 -2.539 1.00 0.00 C ATOM 1888 OD1 ASN A 131 -0.627 21.386 -3.458 1.00 0.00 O ATOM 1889 ND2 ASN A 131 -0.107 21.746 -1.334 1.00 0.00 N ATOM 0 H ASN A 131 1.162 18.094 -2.749 1.00 0.00 H new ATOM 0 HA ASN A 131 1.394 20.246 -4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 131 1.954 20.385 -1.826 1.00 0.00 H new ATOM 0 HB3 ASN A 131 2.248 21.674 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -1.038 22.110 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 131 0.594 21.697 -0.595 1.00 0.00 H new ATOM 1896 N GLU A 132 4.140 20.277 -4.071 1.00 0.00 N ATOM 1897 CA GLU A 132 5.537 19.830 -4.057 1.00 0.00 C ATOM 1898 C GLU A 132 5.831 19.051 -2.750 1.00 0.00 C ATOM 1899 O GLU A 132 6.504 18.014 -2.758 1.00 0.00 O ATOM 1900 CB GLU A 132 6.493 21.011 -4.191 1.00 0.00 C ATOM 1901 CG GLU A 132 7.954 20.614 -4.152 1.00 0.00 C ATOM 1902 CD GLU A 132 8.873 21.787 -4.190 1.00 0.00 C ATOM 1903 OE1 GLU A 132 8.982 22.498 -3.174 1.00 0.00 O ATOM 1904 OE2 GLU A 132 9.501 22.029 -5.231 1.00 0.00 O ATOM 0 H GLU A 132 3.996 21.282 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 132 5.693 19.170 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 132 6.290 21.528 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 132 6.296 21.721 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 132 8.145 20.038 -3.247 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.171 19.961 -4.997 1.00 0.00 H new ATOM 1911 N GLU A 133 5.272 19.537 -1.655 1.00 0.00 N ATOM 1912 CA GLU A 133 5.468 18.928 -0.359 1.00 0.00 C ATOM 1913 C GLU A 133 4.627 17.642 -0.218 1.00 0.00 C ATOM 1914 O GLU A 133 5.157 16.576 0.065 1.00 0.00 O ATOM 1915 CB GLU A 133 5.091 19.915 0.749 1.00 0.00 C ATOM 1916 CG GLU A 133 5.600 19.518 2.122 1.00 0.00 C ATOM 1917 CD GLU A 133 7.105 19.624 2.212 1.00 0.00 C ATOM 1918 OE1 GLU A 133 7.811 18.735 1.721 1.00 0.00 O ATOM 1919 OE2 GLU A 133 7.608 20.617 2.765 1.00 0.00 O ATOM 0 H GLU A 133 4.672 20.362 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 133 6.521 18.664 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 133 5.486 20.899 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 133 4.006 20.007 0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 133 5.144 20.157 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 133 5.293 18.495 2.342 1.00 0.00 H new ATOM 1926 N SER A 134 3.323 17.742 -0.458 1.00 0.00 N ATOM 1927 CA SER A 134 2.412 16.611 -0.264 1.00 0.00 C ATOM 1928 C SER A 134 2.756 15.413 -1.188 1.00 0.00 C ATOM 1929 O SER A 134 2.478 14.258 -0.855 1.00 0.00 O ATOM 1930 CB SER A 134 0.973 17.064 -0.493 1.00 0.00 C ATOM 1931 OG SER A 134 0.741 18.350 0.084 1.00 0.00 O ATOM 0 H SER A 134 2.870 18.594 -0.788 1.00 0.00 H new ATOM 0 HA SER A 134 2.528 16.264 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.765 17.099 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.286 16.338 -0.058 1.00 0.00 H new ATOM 0 HG SER A 134 -0.188 18.618 -0.078 1.00 0.00 H new ATOM 1937 N THR A 135 3.376 15.680 -2.318 1.00 0.00 N ATOM 1938 CA THR A 135 3.743 14.614 -3.219 1.00 0.00 C ATOM 1939 C THR A 135 5.034 13.914 -2.738 1.00 0.00 C ATOM 1940 O THR A 135 5.319 12.769 -3.114 1.00 0.00 O ATOM 1941 CB THR A 135 3.883 15.141 -4.671 1.00 0.00 C ATOM 1942 OG1 THR A 135 2.670 15.825 -5.032 1.00 0.00 O ATOM 1943 CG2 THR A 135 4.096 14.006 -5.653 1.00 0.00 C ATOM 0 H THR A 135 3.633 16.616 -2.630 1.00 0.00 H new ATOM 0 HA THR A 135 2.945 13.871 -3.218 1.00 0.00 H new ATOM 0 HB THR A 135 4.745 15.807 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 135 2.637 16.693 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 135 4.190 14.410 -6.661 1.00 0.00 H new ATOM 0 HG22 THR A 135 5.006 13.465 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 135 3.245 13.326 -5.613 1.00 0.00 H new ATOM 1951 N LYS A 136 5.784 14.572 -1.869 1.00 0.00 N ATOM 1952 CA LYS A 136 6.994 13.966 -1.368 1.00 0.00 C ATOM 1953 C LYS A 136 6.665 13.085 -0.179 1.00 0.00 C ATOM 1954 O LYS A 136 7.323 12.096 0.057 1.00 0.00 O ATOM 1955 CB LYS A 136 8.124 15.016 -1.070 1.00 0.00 C ATOM 1956 CG LYS A 136 8.084 15.777 0.271 1.00 0.00 C ATOM 1957 CD LYS A 136 8.675 14.948 1.412 1.00 0.00 C ATOM 1958 CE LYS A 136 8.626 15.663 2.750 1.00 0.00 C ATOM 1959 NZ LYS A 136 9.392 16.918 2.744 1.00 0.00 N ATOM 0 H LYS A 136 5.579 15.503 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 136 7.414 13.333 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.082 14.499 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.110 15.755 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.638 16.711 0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.053 16.040 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.132 14.006 1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.710 14.700 1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.588 15.875 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.019 15.005 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.926 17.003 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.053 16.917 1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.739 17.723 2.654 1.00 0.00 H new ATOM 1973 N THR A 137 5.643 13.464 0.567 1.00 0.00 N ATOM 1974 CA THR A 137 5.207 12.673 1.683 1.00 0.00 C ATOM 1975 C THR A 137 4.546 11.404 1.190 1.00 0.00 C ATOM 1976 O THR A 137 4.388 10.445 1.937 1.00 0.00 O ATOM 1977 CB THR A 137 4.257 13.474 2.594 1.00 0.00 C ATOM 1978 OG1 THR A 137 3.312 14.197 1.788 1.00 0.00 O ATOM 1979 CG2 THR A 137 5.035 14.454 3.457 1.00 0.00 C ATOM 0 H THR A 137 5.105 14.317 0.413 1.00 0.00 H new ATOM 0 HA THR A 137 6.079 12.403 2.278 1.00 0.00 H new ATOM 0 HB THR A 137 3.732 12.775 3.245 1.00 0.00 H new ATOM 0 HG1 THR A 137 3.242 13.774 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 137 4.344 15.008 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 137 5.742 13.907 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 137 5.578 15.150 2.818 1.00 0.00 H new ATOM 1987 N GLY A 138 4.197 11.420 -0.102 1.00 0.00 N ATOM 1988 CA GLY A 138 3.568 10.308 -0.725 1.00 0.00 C ATOM 1989 C GLY A 138 2.241 10.084 -0.115 1.00 0.00 C ATOM 1990 O GLY A 138 2.103 9.196 0.741 1.00 0.00 O ATOM 0 H GLY A 138 4.353 12.215 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 138 3.462 10.489 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 138 4.186 9.417 -0.613 1.00 0.00 H new ATOM 1994 N ASN A 139 1.255 10.874 -0.585 1.00 0.00 N ATOM 1995 CA ASN A 139 -0.096 10.937 -0.014 1.00 0.00 C ATOM 1996 C ASN A 139 -0.599 9.600 0.570 1.00 0.00 C ATOM 1997 O ASN A 139 -0.411 8.458 -0.002 1.00 0.00 O ATOM 1998 CB ASN A 139 -1.091 11.458 -1.049 1.00 0.00 C ATOM 1999 CG ASN A 139 -2.473 11.702 -0.460 1.00 0.00 C ATOM 2000 OD1 ASN A 139 -3.300 10.797 -0.387 1.00 0.00 O ATOM 2001 ND2 ASN A 139 -2.743 12.920 -0.087 1.00 0.00 N ATOM 0 H ASN A 139 1.382 11.494 -1.385 1.00 0.00 H new ATOM 0 HA ASN A 139 -0.026 11.630 0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -0.713 12.387 -1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -1.170 10.740 -1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -3.667 13.148 0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -2.031 13.646 -0.162 1.00 0.00 H new ATOM 2008 N ALA A 140 -1.112 9.706 1.751 1.00 0.00 N ATOM 2009 CA ALA A 140 -1.639 8.613 2.463 1.00 0.00 C ATOM 2010 C ALA A 140 -2.730 9.085 3.381 1.00 0.00 C ATOM 2011 O ALA A 140 -2.546 10.072 4.085 1.00 0.00 O ATOM 2012 CB ALA A 140 -0.527 7.949 3.261 1.00 0.00 C ATOM 0 H ALA A 140 -1.173 10.591 2.255 1.00 0.00 H new ATOM 0 HA ALA A 140 -2.059 7.888 1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.932 7.102 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.250 7.600 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.101 8.669 3.960 1.00 0.00 H new ATOM 2018 N GLY A 141 -3.868 8.430 3.345 1.00 0.00 N ATOM 2019 CA GLY A 141 -4.884 8.701 4.330 1.00 0.00 C ATOM 2020 C GLY A 141 -4.435 8.105 5.642 1.00 0.00 C ATOM 2021 O GLY A 141 -4.733 6.951 5.926 1.00 0.00 O ATOM 0 H GLY A 141 -4.109 7.718 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -5.038 9.775 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -5.837 8.270 4.022 1.00 0.00 H new ATOM 2025 N SER A 142 -3.739 8.914 6.425 1.00 0.00 N ATOM 2026 CA SER A 142 -2.995 8.542 7.632 1.00 0.00 C ATOM 2027 C SER A 142 -3.750 7.681 8.664 1.00 0.00 C ATOM 2028 O SER A 142 -3.134 7.136 9.567 1.00 0.00 O ATOM 2029 CB SER A 142 -2.486 9.817 8.278 1.00 0.00 C ATOM 2030 OG SER A 142 -1.804 10.615 7.312 1.00 0.00 O ATOM 0 H SER A 142 -3.670 9.912 6.228 1.00 0.00 H new ATOM 0 HA SER A 142 -2.188 7.889 7.300 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.319 10.377 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.814 9.574 9.101 1.00 0.00 H new ATOM 0 HG SER A 142 -1.480 11.437 7.736 1.00 0.00 H new ATOM 2036 N ARG A 143 -5.017 7.642 8.608 1.00 0.00 N ATOM 2037 CA ARG A 143 -5.737 6.788 9.494 1.00 0.00 C ATOM 2038 C ARG A 143 -6.922 6.256 8.766 1.00 0.00 C ATOM 2039 O ARG A 143 -7.777 5.576 9.359 1.00 0.00 O ATOM 2040 CB ARG A 143 -6.185 7.541 10.769 1.00 0.00 C ATOM 2041 CG ARG A 143 -7.397 8.446 10.599 1.00 0.00 C ATOM 2042 CD ARG A 143 -7.716 9.174 11.884 1.00 0.00 C ATOM 2043 NE ARG A 143 -9.081 9.710 11.890 1.00 0.00 N ATOM 2044 CZ ARG A 143 -9.463 10.852 12.461 1.00 0.00 C ATOM 2045 NH1 ARG A 143 -8.551 11.739 12.885 1.00 0.00 N ATOM 2046 NH2 ARG A 143 -10.759 11.108 12.579 1.00 0.00 N ATOM 0 H ARG A 143 -5.591 8.186 7.963 1.00 0.00 H new ATOM 0 HA ARG A 143 -5.088 5.973 9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -6.406 6.808 11.545 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -5.350 8.143 11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -7.207 9.169 9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -8.258 7.853 10.290 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -7.590 8.494 12.726 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -7.006 9.989 12.024 1.00 0.00 H new ATOM 0 HE ARG A 143 -9.799 9.162 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -7.557 11.542 12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -8.852 12.611 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -11.445 10.436 12.235 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -11.070 11.977 13.013 1.00 0.00 H new ATOM 2060 N LEU A 144 -6.997 6.539 7.506 1.00 0.00 N ATOM 2061 CA LEU A 144 -8.161 6.192 6.761 1.00 0.00 C ATOM 2062 C LEU A 144 -8.192 4.724 6.493 1.00 0.00 C ATOM 2063 O LEU A 144 -9.261 4.172 6.224 1.00 0.00 O ATOM 2064 CB LEU A 144 -8.307 7.020 5.469 1.00 0.00 C ATOM 2065 CG LEU A 144 -8.826 8.480 5.603 1.00 0.00 C ATOM 2066 CD1 LEU A 144 -10.214 8.519 6.225 1.00 0.00 C ATOM 2067 CD2 LEU A 144 -7.868 9.366 6.384 1.00 0.00 C ATOM 0 H LEU A 144 -6.266 7.009 6.972 1.00 0.00 H new ATOM 0 HA LEU A 144 -9.028 6.443 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -7.334 7.053 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.981 6.484 4.801 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.888 8.880 4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -10.548 9.553 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.909 7.960 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -10.180 8.071 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -8.276 10.375 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.736 8.963 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.904 9.397 5.875 1.00 0.00 H new ATOM 2079 N ALA A 145 -7.036 4.106 6.535 1.00 0.00 N ATOM 2080 CA ALA A 145 -6.882 2.703 6.398 1.00 0.00 C ATOM 2081 C ALA A 145 -5.466 2.358 6.695 1.00 0.00 C ATOM 2082 O ALA A 145 -4.585 2.592 5.871 1.00 0.00 O ATOM 2083 CB ALA A 145 -7.241 2.231 5.026 1.00 0.00 C ATOM 0 H ALA A 145 -6.153 4.597 6.671 1.00 0.00 H new ATOM 0 HA ALA A 145 -7.558 2.208 7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -7.108 1.151 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -8.281 2.481 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -6.596 2.717 4.294 1.00 0.00 H new ATOM 2089 N CYS A 146 -5.214 1.891 7.863 1.00 0.00 N ATOM 2090 CA CYS A 146 -3.904 1.467 8.174 1.00 0.00 C ATOM 2091 C CYS A 146 -3.993 0.049 8.612 1.00 0.00 C ATOM 2092 O CYS A 146 -4.872 -0.312 9.391 1.00 0.00 O ATOM 2093 CB CYS A 146 -3.275 2.309 9.277 1.00 0.00 C ATOM 2094 SG CYS A 146 -3.379 4.120 9.048 1.00 0.00 S ATOM 0 H CYS A 146 -5.896 1.794 8.615 1.00 0.00 H new ATOM 0 HA CYS A 146 -3.270 1.578 7.294 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -3.753 2.053 10.222 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -2.225 2.032 9.366 1.00 0.00 H new ATOM 2099 N GLY A 147 -3.138 -0.739 8.085 1.00 0.00 N ATOM 2100 CA GLY A 147 -3.070 -2.098 8.429 1.00 0.00 C ATOM 2101 C GLY A 147 -1.745 -2.610 8.047 1.00 0.00 C ATOM 2102 O GLY A 147 -1.154 -2.120 7.083 1.00 0.00 O ATOM 0 H GLY A 147 -2.453 -0.448 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 147 -3.232 -2.226 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 147 -3.854 -2.658 7.919 1.00 0.00 H new ATOM 2106 N VAL A 148 -1.244 -3.515 8.803 1.00 0.00 N ATOM 2107 CA VAL A 148 0.017 -4.106 8.549 1.00 0.00 C ATOM 2108 C VAL A 148 -0.008 -4.998 7.297 1.00 0.00 C ATOM 2109 O VAL A 148 -0.722 -6.005 7.221 1.00 0.00 O ATOM 2110 CB VAL A 148 0.560 -4.886 9.802 1.00 0.00 C ATOM 2111 CG1 VAL A 148 -0.370 -6.013 10.234 1.00 0.00 C ATOM 2112 CG2 VAL A 148 1.952 -5.423 9.549 1.00 0.00 C ATOM 0 H VAL A 148 -1.710 -3.874 9.636 1.00 0.00 H new ATOM 0 HA VAL A 148 0.712 -3.291 8.349 1.00 0.00 H new ATOM 0 HB VAL A 148 0.603 -4.167 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 148 0.051 -6.519 11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -1.346 -5.601 10.492 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -0.482 -6.726 9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.302 -5.958 10.432 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.930 -6.104 8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 148 2.628 -4.595 9.335 1.00 0.00 H new ATOM 2122 N ILE A 149 0.721 -4.571 6.310 1.00 0.00 N ATOM 2123 CA ILE A 149 0.971 -5.368 5.165 1.00 0.00 C ATOM 2124 C ILE A 149 2.096 -6.245 5.546 1.00 0.00 C ATOM 2125 O ILE A 149 3.087 -5.784 6.166 1.00 0.00 O ATOM 2126 CB ILE A 149 1.357 -4.564 3.864 1.00 0.00 C ATOM 2127 CG1 ILE A 149 1.869 -5.537 2.759 1.00 0.00 C ATOM 2128 CG2 ILE A 149 2.376 -3.472 4.148 1.00 0.00 C ATOM 2129 CD1 ILE A 149 2.383 -4.878 1.487 1.00 0.00 C ATOM 0 H ILE A 149 1.159 -3.650 6.284 1.00 0.00 H new ATOM 0 HA ILE A 149 0.055 -5.895 4.899 1.00 0.00 H new ATOM 0 HB ILE A 149 0.456 -4.068 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.669 -6.147 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 149 1.058 -6.215 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 149 2.612 -2.945 3.223 1.00 0.00 H new ATOM 0 HG22 ILE A 149 1.964 -2.769 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.284 -3.918 4.553 1.00 0.00 H new ATOM 0 HD11 ILE A 149 2.714 -5.646 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 149 1.584 -4.292 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 149 3.220 -4.223 1.729 1.00 0.00 H new ATOM 2141 N GLY A 150 1.931 -7.474 5.324 1.00 0.00 N ATOM 2142 CA GLY A 150 2.962 -8.327 5.593 1.00 0.00 C ATOM 2143 C GLY A 150 2.593 -9.685 5.337 1.00 0.00 C ATOM 2144 O GLY A 150 1.398 -10.027 5.288 1.00 0.00 O ATOM 0 H GLY A 150 1.082 -7.902 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 150 3.825 -8.061 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 150 3.263 -8.220 6.635 1.00 0.00 H new ATOM 2148 N ILE A 151 3.592 -10.497 5.108 1.00 0.00 N ATOM 2149 CA ILE A 151 3.406 -11.914 5.055 1.00 0.00 C ATOM 2150 C ILE A 151 3.129 -12.409 6.477 1.00 0.00 C ATOM 2151 O ILE A 151 4.013 -12.436 7.339 1.00 0.00 O ATOM 2152 CB ILE A 151 4.617 -12.678 4.329 1.00 0.00 C ATOM 2153 CG1 ILE A 151 4.435 -14.227 4.217 1.00 0.00 C ATOM 2154 CG2 ILE A 151 5.982 -12.337 4.899 1.00 0.00 C ATOM 2155 CD1 ILE A 151 4.536 -15.043 5.505 1.00 0.00 C ATOM 0 H ILE A 151 4.553 -10.191 4.954 1.00 0.00 H new ATOM 0 HA ILE A 151 2.546 -12.148 4.427 1.00 0.00 H new ATOM 0 HB ILE A 151 4.579 -12.288 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 151 3.459 -14.420 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 151 5.183 -14.604 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 151 6.750 -12.890 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 151 6.163 -11.267 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 151 6.014 -12.608 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 151 4.390 -16.099 5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 151 5.521 -14.900 5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 151 3.769 -14.713 6.206 1.00 0.00 H new ATOM 2167 N ALA A 152 1.897 -12.725 6.718 1.00 0.00 N ATOM 2168 CA ALA A 152 1.459 -13.246 7.968 1.00 0.00 C ATOM 2169 C ALA A 152 0.736 -14.524 7.683 1.00 0.00 C ATOM 2170 O ALA A 152 -0.300 -14.527 7.015 1.00 0.00 O ATOM 2171 CB ALA A 152 0.572 -12.245 8.703 1.00 0.00 C ATOM 0 H ALA A 152 1.150 -12.624 6.031 1.00 0.00 H new ATOM 0 HA ALA A 152 2.307 -13.434 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 152 0.253 -12.671 9.654 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.132 -11.328 8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -0.304 -12.020 8.095 1.00 0.00 H new ATOM 2177 N GLN A 153 1.294 -15.594 8.118 1.00 0.00 N ATOM 2178 CA GLN A 153 0.762 -16.884 7.837 1.00 0.00 C ATOM 2179 C GLN A 153 0.733 -17.684 9.106 1.00 0.00 C ATOM 2180 O GLN A 153 -0.343 -17.817 9.699 1.00 0.00 O ATOM 2181 CB GLN A 153 1.591 -17.560 6.732 1.00 0.00 C ATOM 2182 CG GLN A 153 1.177 -18.979 6.396 1.00 0.00 C ATOM 2183 CD GLN A 153 1.931 -19.527 5.208 1.00 0.00 C ATOM 2184 OE1 GLN A 153 3.019 -20.095 5.348 1.00 0.00 O ATOM 2185 NE2 GLN A 153 1.357 -19.398 4.039 1.00 0.00 N ATOM 2186 OXT GLN A 153 1.801 -18.116 9.572 1.00 0.00 O ATOM 0 H GLN A 153 2.142 -15.603 8.685 1.00 0.00 H new ATOM 0 HA GLN A 153 -0.260 -16.808 7.466 1.00 0.00 H new ATOM 0 HB2 GLN A 153 1.525 -16.955 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 153 2.638 -17.566 7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 153 1.349 -19.620 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 153 0.107 -19.004 6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 153 0.458 -18.923 3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 153 1.809 -19.773 3.205 1.00 0.00 H new TER 2195 GLN A 153 HETATM 2196 CU CU A 201 -0.808 6.184 0.428 1.00 0.00 CU