USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1153 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 71 GLN : amide:sc= 0.36 K(o=1.3,f=-2.6) USER MOD Set 1.2: A 75 THR OG1 : rot 65:sc= 1.23 USER MOD Set 1.3: B 71 GLN : amide:sc= -0.25 K(o=1.3,f=-2.6!) USER MOD Set 2.1: B 39 GLN : amide:sc= 0.632 K(o=1.3,f=-3.9!) USER MOD Set 2.2: B 40 LYS NZ :NH3+ -172:sc= 0.674 (180deg=-0.134) USER MOD Set 3.1: B 30 SER OG : rot 180:sc= 0.541 USER MOD Set 3.2: B 63 ASN : amide:sc= -0.0482 K(o=0.49,f=-1.3!) USER MOD Set 4.1: B 27 HIS : no HE2:sc= 0.297 K(o=2.1,f=-8) USER MOD Set 4.2: B 69 ASN : amide:sc= 1.82 K(o=2.1,f=-4.1!) USER MOD Single : A 3 SER OG : rot -170:sc= 0.096 USER MOD Single : A 7 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00901) USER MOD Single : A 19 TYR OH : rot 0:sc= 1.24 USER MOD Single : A 20 SER OG : rot -77:sc= 0.497 USER MOD Single : A 28 THR OG1 : rot -16:sc= 0.756 USER MOD Single : A 30 SER OG : rot -61:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0.844 (180deg=0.715) USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= 0.0244 (180deg=-0.0715) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0104 (180deg=-0.158) USER MOD Single : A 57 MET CE :methyl 160:sc= -0.0331 (180deg=-0.91) USER MOD Single : A 69 ASN : amide:sc= 1.57 K(o=1.6,f=-3.2!) USER MOD Single : A 73 TYR OH : rot 155:sc= 1.09 USER MOD Single : A 82 MET CE :methyl 172:sc= 0 (180deg=-0.0699) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : B 3 SER OG : rot 180:sc= 1.11 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 HIS : no HE2:sc= 0.298 K(o=0.3,f=-2.4!) USER MOD Single : B 18 LYS NZ :NH3+ 169:sc= 0.755 (180deg=0.479) USER MOD Single : B 19 TYR OH : rot 5:sc= 0.0744 USER MOD Single : B 20 SER OG : rot 170:sc= 1.07 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -146:sc= -0.0316 (180deg=-0.937) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 154:sc= 0.143 (180deg=0.0166) USER MOD Single : B 55 LYS NZ :NH3+ -179:sc= -0.826 (180deg=-0.828) USER MOD Single : B 57 MET CE :methyl 152:sc= -0.0958 (180deg=-1.77) USER MOD Single : B 73 TYR OH : rot 165:sc= 1 USER MOD Single : B 75 THR OG1 : rot 63:sc= 1.06 USER MOD Single : B 82 MET CE :methyl 176:sc= 0 (180deg=-0.0129) USER MOD Single : B 84 TYR OH : rot 25:sc= 1.13 USER MOD Single : B 85 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.086 -6.919 -9.027 1.00 0.00 N ATOM 21 CA ALA A 2 -6.002 -5.685 -8.260 1.00 0.00 C ATOM 22 C ALA A 2 -7.078 -5.697 -7.170 1.00 0.00 C ATOM 23 O ALA A 2 -8.035 -4.924 -7.225 1.00 0.00 O ATOM 24 CB ALA A 2 -6.119 -4.468 -9.180 1.00 0.00 C ATOM 0 HA ALA A 2 -5.028 -5.615 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.054 -3.556 -8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.310 -4.485 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.077 -4.495 -9.699 1.00 0.00 H new ATOM 30 N SER A 3 -6.933 -6.595 -6.190 1.00 0.00 N ATOM 31 CA SER A 3 -7.844 -6.726 -5.061 1.00 0.00 C ATOM 32 C SER A 3 -7.986 -5.390 -4.315 1.00 0.00 C ATOM 33 O SER A 3 -7.117 -4.532 -4.464 1.00 0.00 O ATOM 34 CB SER A 3 -7.281 -7.798 -4.121 1.00 0.00 C ATOM 35 OG SER A 3 -6.633 -8.818 -4.854 1.00 0.00 O ATOM 0 H SER A 3 -6.162 -7.262 -6.164 1.00 0.00 H new ATOM 0 HA SER A 3 -8.834 -7.012 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.578 -7.343 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.088 -8.227 -3.527 1.00 0.00 H new ATOM 0 HG SER A 3 -6.421 -9.565 -4.257 1.00 0.00 H new ATOM 41 N PRO A 4 -9.019 -5.207 -3.472 1.00 0.00 N ATOM 42 CA PRO A 4 -9.235 -3.979 -2.713 1.00 0.00 C ATOM 43 C PRO A 4 -7.957 -3.424 -2.077 1.00 0.00 C ATOM 44 O PRO A 4 -7.644 -2.248 -2.245 1.00 0.00 O ATOM 45 CB PRO A 4 -10.307 -4.321 -1.677 1.00 0.00 C ATOM 46 CG PRO A 4 -11.137 -5.377 -2.405 1.00 0.00 C ATOM 47 CD PRO A 4 -10.080 -6.161 -3.183 1.00 0.00 C ATOM 0 HA PRO A 4 -9.558 -3.172 -3.371 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.873 -4.709 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.904 -3.450 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.682 -6.014 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.875 -4.925 -3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.704 -7.000 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.496 -6.575 -4.102 1.00 0.00 H new ATOM 55 N LEU A 5 -7.192 -4.278 -1.383 1.00 0.00 N ATOM 56 CA LEU A 5 -5.898 -3.882 -0.842 1.00 0.00 C ATOM 57 C LEU A 5 -4.983 -3.325 -1.930 1.00 0.00 C ATOM 58 O LEU A 5 -4.424 -2.248 -1.763 1.00 0.00 O ATOM 59 CB LEU A 5 -5.193 -5.060 -0.144 1.00 0.00 C ATOM 60 CG LEU A 5 -5.288 -5.068 1.388 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.428 -6.226 1.911 1.00 0.00 C ATOM 62 CD2 LEU A 5 -4.761 -3.770 2.018 1.00 0.00 C ATOM 0 H LEU A 5 -7.452 -5.245 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.095 -3.100 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.616 -5.991 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.140 -5.050 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.339 -5.172 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.478 -6.254 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.800 -7.167 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.394 -6.081 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.852 -3.829 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.714 -3.634 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.343 -2.925 1.651 1.00 0.00 H new ATOM 74 N ASP A 6 -4.800 -4.063 -3.030 1.00 0.00 N ATOM 75 CA ASP A 6 -3.881 -3.663 -4.086 1.00 0.00 C ATOM 76 C ASP A 6 -4.321 -2.333 -4.688 1.00 0.00 C ATOM 77 O ASP A 6 -3.493 -1.465 -4.939 1.00 0.00 O ATOM 78 CB ASP A 6 -3.785 -4.737 -5.172 1.00 0.00 C ATOM 79 CG ASP A 6 -2.642 -4.428 -6.132 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.482 -4.673 -5.726 1.00 0.00 O ATOM 81 OD2 ASP A 6 -2.948 -3.955 -7.246 1.00 0.00 O ATOM 0 H ASP A 6 -5.282 -4.944 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.890 -3.542 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.628 -5.713 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.725 -4.791 -5.722 1.00 0.00 H new ATOM 86 N GLN A 7 -5.627 -2.171 -4.905 1.00 0.00 N ATOM 87 CA GLN A 7 -6.206 -0.941 -5.416 1.00 0.00 C ATOM 88 C GLN A 7 -5.911 0.220 -4.460 1.00 0.00 C ATOM 89 O GLN A 7 -5.420 1.266 -4.874 1.00 0.00 O ATOM 90 CB GLN A 7 -7.714 -1.154 -5.623 1.00 0.00 C ATOM 91 CG GLN A 7 -8.387 0.003 -6.375 1.00 0.00 C ATOM 92 CD GLN A 7 -7.824 0.201 -7.779 1.00 0.00 C ATOM 93 OE1 GLN A 7 -7.390 1.290 -8.133 1.00 0.00 O ATOM 94 NE2 GLN A 7 -7.819 -0.852 -8.594 1.00 0.00 N ATOM 0 H GLN A 7 -6.315 -2.902 -4.727 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.761 -0.681 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.872 -2.080 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.194 -1.277 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.458 -0.187 -6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.261 0.923 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.187 -1.747 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -7.447 -0.763 -9.540 1.00 0.00 H new ATOM 103 N ALA A 8 -6.210 0.038 -3.173 1.00 0.00 N ATOM 104 CA ALA A 8 -6.027 1.066 -2.156 1.00 0.00 C ATOM 105 C ALA A 8 -4.547 1.443 -1.999 1.00 0.00 C ATOM 106 O ALA A 8 -4.187 2.620 -1.974 1.00 0.00 O ATOM 107 CB ALA A 8 -6.627 0.558 -0.850 1.00 0.00 C ATOM 0 H ALA A 8 -6.589 -0.836 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.540 1.980 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.501 1.313 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.689 0.357 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.121 -0.359 -0.550 1.00 0.00 H new ATOM 113 N ILE A 9 -3.676 0.437 -1.924 1.00 0.00 N ATOM 114 CA ILE A 9 -2.233 0.618 -1.977 1.00 0.00 C ATOM 115 C ILE A 9 -1.888 1.429 -3.229 1.00 0.00 C ATOM 116 O ILE A 9 -1.206 2.445 -3.136 1.00 0.00 O ATOM 117 CB ILE A 9 -1.542 -0.761 -1.928 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.617 -1.321 -0.495 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.084 -0.692 -2.406 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.225 -2.800 -0.409 1.00 0.00 C ATOM 0 H ILE A 9 -3.960 -0.537 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.867 1.178 -1.117 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.068 -1.429 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.961 -0.739 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.631 -1.197 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.363 -1.685 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.055 -0.334 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.476 -0.008 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.298 -3.136 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.897 -3.391 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.201 -2.926 -0.760 1.00 0.00 H new ATOM 132 N GLY A 10 -2.389 0.999 -4.388 1.00 0.00 N ATOM 133 CA GLY A 10 -2.249 1.681 -5.665 1.00 0.00 C ATOM 134 C GLY A 10 -2.599 3.161 -5.552 1.00 0.00 C ATOM 135 O GLY A 10 -1.838 4.010 -6.005 1.00 0.00 O ATOM 0 H GLY A 10 -2.923 0.133 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.225 1.575 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.897 1.209 -6.403 1.00 0.00 H new ATOM 139 N LEU A 11 -3.732 3.483 -4.927 1.00 0.00 N ATOM 140 CA LEU A 11 -4.127 4.856 -4.642 1.00 0.00 C ATOM 141 C LEU A 11 -3.050 5.581 -3.824 1.00 0.00 C ATOM 142 O LEU A 11 -2.588 6.643 -4.239 1.00 0.00 O ATOM 143 CB LEU A 11 -5.504 4.869 -3.959 1.00 0.00 C ATOM 144 CG LEU A 11 -6.650 4.879 -4.985 1.00 0.00 C ATOM 145 CD1 LEU A 11 -7.871 4.104 -4.476 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.057 6.328 -5.272 1.00 0.00 C ATOM 0 H LEU A 11 -4.405 2.789 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.219 5.408 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.599 3.994 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.583 5.746 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.295 4.393 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.660 4.133 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.591 3.068 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.232 4.559 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.869 6.341 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.389 6.802 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.203 6.873 -5.673 1.00 0.00 H new ATOM 158 N LEU A 12 -2.625 5.033 -2.680 1.00 0.00 N ATOM 159 CA LEU A 12 -1.607 5.686 -1.849 1.00 0.00 C ATOM 160 C LEU A 12 -0.298 5.901 -2.628 1.00 0.00 C ATOM 161 O LEU A 12 0.297 6.980 -2.549 1.00 0.00 O ATOM 162 CB LEU A 12 -1.381 4.925 -0.526 1.00 0.00 C ATOM 163 CG LEU A 12 -2.308 5.415 0.603 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.783 5.183 0.281 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.989 4.692 1.915 1.00 0.00 C ATOM 0 H LEU A 12 -2.967 4.146 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.983 6.674 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.546 3.860 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.343 5.043 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.131 6.486 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.397 5.544 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.046 5.721 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.961 4.117 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.654 5.052 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.131 3.619 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.955 4.890 2.197 1.00 0.00 H new ATOM 177 N ILE A 13 0.147 4.894 -3.386 1.00 0.00 N ATOM 178 CA ILE A 13 1.287 5.008 -4.299 1.00 0.00 C ATOM 179 C ILE A 13 1.056 6.144 -5.301 1.00 0.00 C ATOM 180 O ILE A 13 1.919 6.999 -5.482 1.00 0.00 O ATOM 181 CB ILE A 13 1.551 3.675 -5.030 1.00 0.00 C ATOM 182 CG1 ILE A 13 2.003 2.592 -4.036 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.617 3.852 -6.128 1.00 0.00 C ATOM 184 CD1 ILE A 13 2.108 1.214 -4.695 1.00 0.00 C ATOM 0 H ILE A 13 -0.279 3.967 -3.382 1.00 0.00 H new ATOM 0 HA ILE A 13 2.173 5.242 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 13 0.618 3.360 -5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.970 2.867 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.297 2.544 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.785 2.899 -6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.272 4.588 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.549 4.195 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.430 0.481 -3.956 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.135 0.925 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.834 1.253 -5.507 1.00 0.00 H new ATOM 196 N GLY A 14 -0.093 6.145 -5.976 1.00 0.00 N ATOM 197 CA GLY A 14 -0.435 7.134 -6.983 1.00 0.00 C ATOM 198 C GLY A 14 -0.327 8.536 -6.396 1.00 0.00 C ATOM 199 O GLY A 14 0.356 9.395 -6.945 1.00 0.00 O ATOM 0 H GLY A 14 -0.820 5.445 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.232 7.038 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.448 6.960 -7.346 1.00 0.00 H new ATOM 203 N ILE A 15 -0.977 8.751 -5.251 1.00 0.00 N ATOM 204 CA ILE A 15 -0.921 10.011 -4.530 1.00 0.00 C ATOM 205 C ILE A 15 0.533 10.369 -4.197 1.00 0.00 C ATOM 206 O ILE A 15 0.948 11.505 -4.409 1.00 0.00 O ATOM 207 CB ILE A 15 -1.812 9.933 -3.280 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.307 9.787 -3.637 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.569 11.154 -2.388 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.996 11.089 -4.058 1.00 0.00 C ATOM 0 H ILE A 15 -1.560 8.046 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.308 10.815 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.538 9.034 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.404 9.063 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.833 9.376 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.204 11.091 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.523 11.179 -2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.807 12.062 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.042 10.889 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.936 11.812 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.500 11.494 -4.940 1.00 0.00 H new ATOM 222 N PHE A 16 1.318 9.414 -3.687 1.00 0.00 N ATOM 223 CA PHE A 16 2.731 9.649 -3.407 1.00 0.00 C ATOM 224 C PHE A 16 3.427 10.195 -4.655 1.00 0.00 C ATOM 225 O PHE A 16 3.966 11.301 -4.652 1.00 0.00 O ATOM 226 CB PHE A 16 3.395 8.349 -2.933 1.00 0.00 C ATOM 227 CG PHE A 16 4.837 8.466 -2.480 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.178 9.326 -1.421 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.811 7.606 -3.021 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.474 9.298 -0.877 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.102 7.571 -2.468 1.00 0.00 C ATOM 232 CZ PHE A 16 7.438 8.429 -1.410 1.00 0.00 C ATOM 0 H PHE A 16 0.995 8.473 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 16 2.823 10.389 -2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.808 7.944 -2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.348 7.623 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.442 10.010 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.566 6.973 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.727 9.945 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.837 6.882 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.439 8.421 -1.006 1.00 0.00 H new ATOM 242 N HIS A 17 3.382 9.419 -5.740 1.00 0.00 N ATOM 243 CA HIS A 17 4.071 9.754 -6.972 1.00 0.00 C ATOM 244 C HIS A 17 3.552 11.062 -7.573 1.00 0.00 C ATOM 245 O HIS A 17 4.334 11.806 -8.153 1.00 0.00 O ATOM 246 CB HIS A 17 3.999 8.591 -7.964 1.00 0.00 C ATOM 247 CG HIS A 17 4.901 8.798 -9.156 1.00 0.00 C ATOM 248 ND1 HIS A 17 6.266 9.001 -9.122 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.503 8.886 -10.463 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.674 9.192 -10.388 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.638 9.129 -11.241 1.00 0.00 N ATOM 0 H HIS A 17 2.864 8.541 -5.782 1.00 0.00 H new ATOM 0 HA HIS A 17 5.122 9.920 -6.738 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.277 7.667 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.971 8.471 -8.306 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.491 8.785 -10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.698 9.372 -10.681 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.673 9.237 -12.255 1.00 0.00 H new ATOM 259 N LYS A 18 2.260 11.367 -7.426 1.00 0.00 N ATOM 260 CA LYS A 18 1.679 12.620 -7.891 1.00 0.00 C ATOM 261 C LYS A 18 2.476 13.822 -7.368 1.00 0.00 C ATOM 262 O LYS A 18 2.761 14.743 -8.131 1.00 0.00 O ATOM 263 CB LYS A 18 0.199 12.688 -7.484 1.00 0.00 C ATOM 264 CG LYS A 18 -0.504 13.965 -7.963 1.00 0.00 C ATOM 265 CD LYS A 18 -1.988 13.910 -7.573 1.00 0.00 C ATOM 266 CE LYS A 18 -2.695 15.246 -7.827 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.693 15.608 -9.256 1.00 0.00 N ATOM 0 H LYS A 18 1.587 10.745 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 18 1.732 12.658 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.322 11.821 -7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.125 12.626 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.032 14.841 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.405 14.064 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.484 13.123 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.077 13.647 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.723 15.186 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.203 16.031 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.210 16.501 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.713 15.724 -9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.155 14.855 -9.805 1.00 0.00 H new ATOM 281 N TYR A 19 2.826 13.824 -6.078 1.00 0.00 N ATOM 282 CA TYR A 19 3.560 14.934 -5.478 1.00 0.00 C ATOM 283 C TYR A 19 5.066 14.716 -5.590 1.00 0.00 C ATOM 284 O TYR A 19 5.761 15.606 -6.074 1.00 0.00 O ATOM 285 CB TYR A 19 3.072 15.202 -4.051 1.00 0.00 C ATOM 286 CG TYR A 19 1.686 15.825 -4.031 1.00 0.00 C ATOM 287 CD1 TYR A 19 0.554 15.002 -4.166 1.00 0.00 C ATOM 288 CD2 TYR A 19 1.539 17.222 -4.124 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.714 15.564 -4.375 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.278 17.782 -4.394 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.848 16.953 -4.518 1.00 0.00 C ATOM 292 OH TYR A 19 -2.053 17.498 -4.848 1.00 0.00 O ATOM 0 H TYR A 19 2.611 13.066 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 19 3.353 15.846 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.057 14.267 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.775 15.865 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.662 13.929 -4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.396 17.865 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.586 14.928 -4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.176 18.851 -4.506 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.718 16.785 -4.950 1.00 0.00 H new ATOM 302 N SER A 20 5.585 13.543 -5.210 1.00 0.00 N ATOM 303 CA SER A 20 7.001 13.237 -5.402 1.00 0.00 C ATOM 304 C SER A 20 7.447 13.537 -6.833 1.00 0.00 C ATOM 305 O SER A 20 8.555 14.017 -7.035 1.00 0.00 O ATOM 306 CB SER A 20 7.298 11.778 -5.060 1.00 0.00 C ATOM 307 OG SER A 20 7.095 11.541 -3.687 1.00 0.00 O ATOM 0 H SER A 20 5.047 12.796 -4.771 1.00 0.00 H new ATOM 0 HA SER A 20 7.564 13.878 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.654 11.123 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.327 11.538 -5.328 1.00 0.00 H new ATOM 0 HG SER A 20 7.852 11.898 -3.178 1.00 0.00 H new ATOM 415 N THR A 28 10.090 9.989 -3.171 1.00 0.00 N ATOM 416 CA THR A 28 10.534 10.577 -1.917 1.00 0.00 C ATOM 417 C THR A 28 9.939 11.986 -1.962 1.00 0.00 C ATOM 418 O THR A 28 9.633 12.459 -3.059 1.00 0.00 O ATOM 419 CB THR A 28 12.075 10.597 -1.852 1.00 0.00 C ATOM 420 OG1 THR A 28 12.644 10.287 -3.111 1.00 0.00 O ATOM 421 CG2 THR A 28 12.630 9.578 -0.856 1.00 0.00 C ATOM 0 HA THR A 28 10.216 10.025 -1.032 1.00 0.00 H new ATOM 0 HB THR A 28 12.338 11.607 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.965 9.874 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.719 9.632 -0.848 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.249 9.799 0.141 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.319 8.575 -1.150 1.00 0.00 H new ATOM 429 N LEU A 29 9.700 12.650 -0.828 1.00 0.00 N ATOM 430 CA LEU A 29 9.180 14.020 -0.886 1.00 0.00 C ATOM 431 C LEU A 29 9.405 14.779 0.418 1.00 0.00 C ATOM 432 O LEU A 29 9.800 14.158 1.398 1.00 0.00 O ATOM 433 CB LEU A 29 7.716 14.053 -1.360 1.00 0.00 C ATOM 434 CG LEU A 29 6.781 13.000 -0.746 1.00 0.00 C ATOM 435 CD1 LEU A 29 6.749 13.078 0.780 1.00 0.00 C ATOM 436 CD2 LEU A 29 5.362 13.192 -1.287 1.00 0.00 C ATOM 0 H LEU A 29 9.851 12.279 0.110 1.00 0.00 H new ATOM 0 HA LEU A 29 9.758 14.554 -1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.308 15.041 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.704 13.932 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 29 7.167 12.020 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.075 12.315 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.752 12.912 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.398 14.063 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.701 12.443 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.005 14.188 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.368 13.081 -2.371 1.00 0.00 H new ATOM 448 N SER A 30 9.205 16.104 0.433 1.00 0.00 N ATOM 449 CA SER A 30 9.525 16.943 1.586 1.00 0.00 C ATOM 450 C SER A 30 8.275 17.543 2.240 1.00 0.00 C ATOM 451 O SER A 30 7.155 17.409 1.739 1.00 0.00 O ATOM 452 CB SER A 30 10.512 18.046 1.168 1.00 0.00 C ATOM 453 OG SER A 30 9.850 19.104 0.500 1.00 0.00 O ATOM 0 H SER A 30 8.817 16.620 -0.356 1.00 0.00 H new ATOM 0 HA SER A 30 9.991 16.308 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.022 18.433 2.050 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.277 17.624 0.516 1.00 0.00 H new ATOM 0 HG SER A 30 9.422 18.761 -0.312 1.00 0.00 H new ATOM 459 N LYS A 31 8.503 18.260 3.345 1.00 0.00 N ATOM 460 CA LYS A 31 7.513 19.019 4.092 1.00 0.00 C ATOM 461 C LYS A 31 6.531 19.763 3.189 1.00 0.00 C ATOM 462 O LYS A 31 5.323 19.699 3.401 1.00 0.00 O ATOM 463 CB LYS A 31 8.195 19.964 5.100 1.00 0.00 C ATOM 464 CG LYS A 31 9.379 20.781 4.556 1.00 0.00 C ATOM 465 CD LYS A 31 9.890 21.726 5.654 1.00 0.00 C ATOM 466 CE LYS A 31 10.995 22.663 5.149 1.00 0.00 C ATOM 467 NZ LYS A 31 12.242 21.940 4.850 1.00 0.00 N ATOM 0 H LYS A 31 9.433 18.326 3.758 1.00 0.00 H new ATOM 0 HA LYS A 31 6.915 18.300 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.446 20.657 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.545 19.372 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.178 20.114 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.069 21.354 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.059 22.320 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.270 21.137 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.651 23.178 4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.192 23.428 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.960 22.612 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.586 21.470 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.062 21.227 4.115 1.00 0.00 H new ATOM 481 N LYS A 32 7.039 20.459 2.169 1.00 0.00 N ATOM 482 CA LYS A 32 6.194 21.234 1.277 1.00 0.00 C ATOM 483 C LYS A 32 5.169 20.316 0.608 1.00 0.00 C ATOM 484 O LYS A 32 3.970 20.593 0.638 1.00 0.00 O ATOM 485 CB LYS A 32 7.076 21.995 0.279 1.00 0.00 C ATOM 486 CG LYS A 32 6.252 22.907 -0.645 1.00 0.00 C ATOM 487 CD LYS A 32 6.138 22.328 -2.060 1.00 0.00 C ATOM 488 CE LYS A 32 7.425 22.573 -2.858 1.00 0.00 C ATOM 489 NZ LYS A 32 7.359 21.942 -4.185 1.00 0.00 N ATOM 0 H LYS A 32 8.034 20.497 1.946 1.00 0.00 H new ATOM 0 HA LYS A 32 5.624 21.980 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.804 22.595 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.638 21.282 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.255 23.043 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.716 23.892 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.938 21.258 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.293 22.783 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.587 23.645 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.278 22.177 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.123 22.314 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.467 20.912 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.440 22.153 -4.624 1.00 0.00 H new ATOM 503 N GLU A 33 5.626 19.197 0.041 1.00 0.00 N ATOM 504 CA GLU A 33 4.726 18.238 -0.575 1.00 0.00 C ATOM 505 C GLU A 33 3.772 17.645 0.456 1.00 0.00 C ATOM 506 O GLU A 33 2.617 17.417 0.126 1.00 0.00 O ATOM 507 CB GLU A 33 5.487 17.112 -1.267 1.00 0.00 C ATOM 508 CG GLU A 33 6.195 17.552 -2.556 1.00 0.00 C ATOM 509 CD GLU A 33 7.438 18.396 -2.303 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.121 18.118 -1.291 1.00 0.00 O ATOM 511 OE2 GLU A 33 7.691 19.296 -3.130 1.00 0.00 O ATOM 0 H GLU A 33 6.612 18.939 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 33 4.153 18.781 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.226 16.706 -0.576 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.792 16.305 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.475 16.668 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.497 18.121 -3.170 1.00 0.00 H new ATOM 518 N LEU A 34 4.224 17.366 1.680 1.00 0.00 N ATOM 519 CA LEU A 34 3.339 16.828 2.714 1.00 0.00 C ATOM 520 C LEU A 34 2.216 17.817 3.052 1.00 0.00 C ATOM 521 O LEU A 34 1.045 17.436 3.128 1.00 0.00 O ATOM 522 CB LEU A 34 4.147 16.415 3.948 1.00 0.00 C ATOM 523 CG LEU A 34 4.990 15.162 3.656 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.156 15.075 4.638 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.160 13.875 3.754 1.00 0.00 C ATOM 0 H LEU A 34 5.190 17.502 1.978 1.00 0.00 H new ATOM 0 HA LEU A 34 2.855 15.931 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.799 17.234 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.472 16.218 4.781 1.00 0.00 H new ATOM 0 HG LEU A 34 5.360 15.254 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.747 14.185 4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.784 15.960 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.771 15.018 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.795 13.015 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.750 13.782 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.345 13.912 3.032 1.00 0.00 H new ATOM 537 N LYS A 35 2.556 19.098 3.216 1.00 0.00 N ATOM 538 CA LYS A 35 1.554 20.139 3.394 1.00 0.00 C ATOM 539 C LYS A 35 0.603 20.161 2.193 1.00 0.00 C ATOM 540 O LYS A 35 -0.615 20.130 2.378 1.00 0.00 O ATOM 541 CB LYS A 35 2.222 21.499 3.637 1.00 0.00 C ATOM 542 CG LYS A 35 2.941 21.520 4.994 1.00 0.00 C ATOM 543 CD LYS A 35 3.602 22.884 5.233 1.00 0.00 C ATOM 544 CE LYS A 35 4.443 22.889 6.515 1.00 0.00 C ATOM 545 NZ LYS A 35 3.638 22.583 7.712 1.00 0.00 N ATOM 0 H LYS A 35 3.519 19.434 3.228 1.00 0.00 H new ATOM 0 HA LYS A 35 0.958 19.919 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.935 21.706 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.471 22.289 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.229 21.310 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.695 20.734 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.234 23.136 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.834 23.654 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.246 22.158 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.913 23.865 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.845 23.279 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.627 22.625 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.873 21.629 8.054 1.00 0.00 H new ATOM 559 N GLU A 36 1.140 20.178 0.964 1.00 0.00 N ATOM 560 CA GLU A 36 0.306 20.111 -0.229 1.00 0.00 C ATOM 561 C GLU A 36 -0.585 18.866 -0.220 1.00 0.00 C ATOM 562 O GLU A 36 -1.750 18.962 -0.566 1.00 0.00 O ATOM 563 CB GLU A 36 1.123 20.148 -1.525 1.00 0.00 C ATOM 564 CG GLU A 36 1.833 21.484 -1.770 1.00 0.00 C ATOM 565 CD GLU A 36 2.632 21.441 -3.071 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.534 20.580 -3.164 1.00 0.00 O ATOM 567 OE2 GLU A 36 2.317 22.259 -3.961 1.00 0.00 O ATOM 0 H GLU A 36 2.141 20.237 0.778 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.322 21.002 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.867 19.352 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.462 19.939 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.099 22.289 -1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.499 21.706 -0.936 1.00 0.00 H new ATOM 574 N LEU A 37 -0.065 17.695 0.144 1.00 0.00 N ATOM 575 CA LEU A 37 -0.826 16.455 0.151 1.00 0.00 C ATOM 576 C LEU A 37 -2.087 16.637 0.987 1.00 0.00 C ATOM 577 O LEU A 37 -3.192 16.449 0.479 1.00 0.00 O ATOM 578 CB LEU A 37 0.034 15.299 0.681 1.00 0.00 C ATOM 579 CG LEU A 37 0.863 14.648 -0.433 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.066 13.907 0.158 1.00 0.00 C ATOM 581 CD2 LEU A 37 -0.008 13.644 -1.190 1.00 0.00 C ATOM 0 H LEU A 37 0.904 17.583 0.444 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.119 16.204 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.700 15.669 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.609 14.549 1.141 1.00 0.00 H new ATOM 0 HG LEU A 37 1.217 15.429 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.643 13.451 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.695 14.611 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.717 13.131 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.578 13.179 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.360 12.876 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.863 14.160 -1.626 1.00 0.00 H new ATOM 593 N ILE A 38 -1.926 17.037 2.251 1.00 0.00 N ATOM 594 CA ILE A 38 -3.075 17.333 3.095 1.00 0.00 C ATOM 595 C ILE A 38 -3.947 18.394 2.413 1.00 0.00 C ATOM 596 O ILE A 38 -5.098 18.112 2.095 1.00 0.00 O ATOM 597 CB ILE A 38 -2.632 17.671 4.538 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.652 16.421 5.437 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.525 18.717 5.224 1.00 0.00 C ATOM 600 CD1 ILE A 38 -1.888 15.223 4.872 1.00 0.00 C ATOM 0 H ILE A 38 -1.020 17.161 2.704 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.706 16.452 3.209 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.624 18.071 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.230 16.680 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.688 16.128 5.608 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.156 18.905 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.505 19.644 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.548 18.344 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.954 14.388 5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.322 14.933 3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.842 15.494 4.728 1.00 0.00 H new ATOM 612 N GLN A 39 -3.402 19.586 2.158 1.00 0.00 N ATOM 613 CA GLN A 39 -4.161 20.736 1.677 1.00 0.00 C ATOM 614 C GLN A 39 -4.996 20.406 0.434 1.00 0.00 C ATOM 615 O GLN A 39 -6.183 20.717 0.373 1.00 0.00 O ATOM 616 CB GLN A 39 -3.176 21.880 1.403 1.00 0.00 C ATOM 617 CG GLN A 39 -3.874 23.175 0.967 1.00 0.00 C ATOM 618 CD GLN A 39 -2.869 24.303 0.755 1.00 0.00 C ATOM 619 OE1 GLN A 39 -2.915 25.323 1.432 1.00 0.00 O ATOM 620 NE2 GLN A 39 -1.945 24.130 -0.186 1.00 0.00 N ATOM 0 H GLN A 39 -2.408 19.779 2.282 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.877 21.035 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.591 22.073 2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.475 21.572 0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.427 23.000 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.601 23.471 1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.931 23.270 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.251 24.857 -0.359 1.00 0.00 H new ATOM 629 N LYS A 40 -4.348 19.823 -0.573 1.00 0.00 N ATOM 630 CA LYS A 40 -4.926 19.517 -1.868 1.00 0.00 C ATOM 631 C LYS A 40 -5.876 18.330 -1.729 1.00 0.00 C ATOM 632 O LYS A 40 -7.061 18.437 -2.037 1.00 0.00 O ATOM 633 CB LYS A 40 -3.819 19.172 -2.884 1.00 0.00 C ATOM 634 CG LYS A 40 -2.658 20.172 -3.025 1.00 0.00 C ATOM 635 CD LYS A 40 -2.774 21.135 -4.209 1.00 0.00 C ATOM 636 CE LYS A 40 -3.691 22.301 -3.844 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.788 23.277 -4.944 1.00 0.00 N ATOM 0 H LYS A 40 -3.370 19.543 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.472 20.390 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.400 18.204 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.284 19.054 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.587 20.755 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.727 19.614 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.787 21.509 -4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.168 20.610 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.684 21.922 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.313 22.796 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.418 24.055 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.843 23.656 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.172 22.809 -5.790 1.00 0.00 H new ATOM 651 N GLU A 41 -5.342 17.178 -1.308 1.00 0.00 N ATOM 652 CA GLU A 41 -6.088 15.935 -1.342 1.00 0.00 C ATOM 653 C GLU A 41 -7.083 15.916 -0.189 1.00 0.00 C ATOM 654 O GLU A 41 -8.289 15.807 -0.407 1.00 0.00 O ATOM 655 CB GLU A 41 -5.137 14.732 -1.300 1.00 0.00 C ATOM 656 CG GLU A 41 -4.032 14.790 -2.366 1.00 0.00 C ATOM 657 CD GLU A 41 -4.585 14.857 -3.787 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.487 14.045 -4.087 1.00 0.00 O ATOM 659 OE2 GLU A 41 -4.087 15.714 -4.551 1.00 0.00 O ATOM 0 H GLU A 41 -4.394 17.090 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.645 15.865 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.677 14.676 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.714 13.817 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.403 15.662 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.394 13.911 -2.270 1.00 0.00 H new ATOM 666 N LEU A 42 -6.603 16.044 1.049 1.00 0.00 N ATOM 667 CA LEU A 42 -7.475 16.062 2.212 1.00 0.00 C ATOM 668 C LEU A 42 -7.934 17.498 2.445 1.00 0.00 C ATOM 669 O LEU A 42 -7.701 18.077 3.506 1.00 0.00 O ATOM 670 CB LEU A 42 -6.779 15.440 3.430 1.00 0.00 C ATOM 671 CG LEU A 42 -6.386 13.967 3.212 1.00 0.00 C ATOM 672 CD1 LEU A 42 -5.722 13.434 4.483 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.598 13.082 2.891 1.00 0.00 C ATOM 0 H LEU A 42 -5.611 16.137 1.267 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.359 15.447 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.885 16.018 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.440 15.510 4.294 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.705 13.932 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.441 12.391 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.831 14.023 4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.420 13.508 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.269 12.053 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.307 13.123 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.080 13.441 1.981 1.00 0.00 H new ATOM 794 N ASP A 50 -7.755 16.901 15.935 1.00 0.00 N ATOM 795 CA ASP A 50 -6.378 17.368 16.088 1.00 0.00 C ATOM 796 C ASP A 50 -5.389 16.761 15.095 1.00 0.00 C ATOM 797 O ASP A 50 -4.516 17.474 14.607 1.00 0.00 O ATOM 798 CB ASP A 50 -5.883 17.094 17.513 1.00 0.00 C ATOM 799 CG ASP A 50 -6.765 17.735 18.581 1.00 0.00 C ATOM 800 OD1 ASP A 50 -7.933 17.299 18.680 1.00 0.00 O ATOM 801 OD2 ASP A 50 -6.262 18.650 19.266 1.00 0.00 O ATOM 0 HA ASP A 50 -6.412 18.437 15.880 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.845 16.017 17.678 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.865 17.469 17.617 1.00 0.00 H new ATOM 806 N ALA A 51 -5.506 15.459 14.820 1.00 0.00 N ATOM 807 CA ALA A 51 -4.633 14.684 13.946 1.00 0.00 C ATOM 808 C ALA A 51 -4.004 15.502 12.818 1.00 0.00 C ATOM 809 O ALA A 51 -2.783 15.555 12.704 1.00 0.00 O ATOM 810 CB ALA A 51 -5.441 13.538 13.342 1.00 0.00 C ATOM 0 H ALA A 51 -6.252 14.892 15.224 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.809 14.321 14.560 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.801 12.948 12.685 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.825 12.903 14.140 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.275 13.943 12.769 1.00 0.00 H new ATOM 816 N GLU A 52 -4.827 16.128 11.972 1.00 0.00 N ATOM 817 CA GLU A 52 -4.326 16.809 10.785 1.00 0.00 C ATOM 818 C GLU A 52 -3.546 18.073 11.152 1.00 0.00 C ATOM 819 O GLU A 52 -2.539 18.390 10.520 1.00 0.00 O ATOM 820 CB GLU A 52 -5.472 17.059 9.796 1.00 0.00 C ATOM 821 CG GLU A 52 -4.943 17.328 8.381 1.00 0.00 C ATOM 822 CD GLU A 52 -6.023 17.073 7.333 1.00 0.00 C ATOM 823 OE1 GLU A 52 -6.134 15.899 6.914 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.728 18.045 6.991 1.00 0.00 O ATOM 0 H GLU A 52 -5.839 16.175 12.090 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.608 16.164 10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.135 16.194 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.065 17.909 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.598 18.359 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.082 16.689 8.184 1.00 0.00 H new ATOM 831 N ILE A 53 -3.988 18.774 12.196 1.00 0.00 N ATOM 832 CA ILE A 53 -3.311 19.958 12.694 1.00 0.00 C ATOM 833 C ILE A 53 -1.928 19.503 13.166 1.00 0.00 C ATOM 834 O ILE A 53 -0.897 20.013 12.728 1.00 0.00 O ATOM 835 CB ILE A 53 -4.102 20.607 13.853 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.543 21.041 13.518 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.354 21.855 14.347 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.513 19.929 13.103 1.00 0.00 C ATOM 0 H ILE A 53 -4.830 18.531 12.718 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.230 20.714 11.913 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.176 19.822 14.605 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.958 21.548 14.389 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.500 21.774 12.713 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.911 22.313 15.164 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.363 21.570 14.699 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.257 22.569 13.529 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.492 20.360 12.894 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.136 19.433 12.209 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.601 19.203 13.911 1.00 0.00 H new ATOM 850 N VAL A 54 -1.926 18.507 14.057 1.00 0.00 N ATOM 851 CA VAL A 54 -0.727 17.923 14.635 1.00 0.00 C ATOM 852 C VAL A 54 0.217 17.465 13.528 1.00 0.00 C ATOM 853 O VAL A 54 1.410 17.734 13.604 1.00 0.00 O ATOM 854 CB VAL A 54 -1.112 16.793 15.604 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.119 16.030 16.115 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.855 17.384 16.809 1.00 0.00 C ATOM 0 H VAL A 54 -2.785 18.078 14.401 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.188 18.671 15.217 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.747 16.095 15.058 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.199 15.241 16.796 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.650 15.589 15.271 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.781 16.718 16.640 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.128 16.583 17.496 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.209 18.097 17.321 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.757 17.892 16.467 1.00 0.00 H new ATOM 866 N LYS A 55 -0.299 16.802 12.491 1.00 0.00 N ATOM 867 CA LYS A 55 0.501 16.411 11.340 1.00 0.00 C ATOM 868 C LYS A 55 1.153 17.628 10.696 1.00 0.00 C ATOM 869 O LYS A 55 2.369 17.642 10.506 1.00 0.00 O ATOM 870 CB LYS A 55 -0.341 15.622 10.326 1.00 0.00 C ATOM 871 CG LYS A 55 0.023 14.139 10.383 1.00 0.00 C ATOM 872 CD LYS A 55 -0.399 13.525 11.724 1.00 0.00 C ATOM 873 CE LYS A 55 0.328 12.203 11.952 1.00 0.00 C ATOM 874 NZ LYS A 55 1.746 12.411 12.294 1.00 0.00 N ATOM 0 H LYS A 55 -1.279 16.525 12.430 1.00 0.00 H new ATOM 0 HA LYS A 55 1.297 15.753 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.401 15.753 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.170 16.008 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.465 13.609 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.097 14.018 10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.174 14.217 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.477 13.362 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.163 11.652 12.754 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.257 11.589 11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.137 11.537 12.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.277 12.661 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.826 13.182 12.987 1.00 0.00 H new ATOM 888 N LEU A 56 0.359 18.648 10.360 1.00 0.00 N ATOM 889 CA LEU A 56 0.893 19.863 9.760 1.00 0.00 C ATOM 890 C LEU A 56 1.999 20.471 10.630 1.00 0.00 C ATOM 891 O LEU A 56 2.981 20.968 10.083 1.00 0.00 O ATOM 892 CB LEU A 56 -0.227 20.871 9.468 1.00 0.00 C ATOM 893 CG LEU A 56 -1.142 20.440 8.307 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.401 21.313 8.312 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.446 20.579 6.945 1.00 0.00 C ATOM 0 H LEU A 56 -0.652 18.652 10.495 1.00 0.00 H new ATOM 0 HA LEU A 56 1.347 19.598 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.829 21.006 10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.216 21.839 9.233 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.394 19.389 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.054 21.014 7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.926 21.188 9.259 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.119 22.359 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.127 20.264 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.162 21.619 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.446 19.952 6.926 1.00 0.00 H new ATOM 907 N MET A 57 1.868 20.430 11.963 1.00 0.00 N ATOM 908 CA MET A 57 2.953 20.873 12.832 1.00 0.00 C ATOM 909 C MET A 57 4.148 19.913 12.693 1.00 0.00 C ATOM 910 O MET A 57 5.198 20.282 12.165 1.00 0.00 O ATOM 911 CB MET A 57 2.506 20.985 14.300 1.00 0.00 C ATOM 912 CG MET A 57 1.278 21.861 14.596 1.00 0.00 C ATOM 913 SD MET A 57 1.204 23.546 13.928 1.00 0.00 S ATOM 914 CE MET A 57 0.237 23.296 12.421 1.00 0.00 C ATOM 0 H MET A 57 1.035 20.100 12.451 1.00 0.00 H new ATOM 0 HA MET A 57 3.254 21.872 12.518 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.300 19.980 14.668 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.344 21.371 14.880 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.400 21.327 14.233 1.00 0.00 H new ATOM 0 HG3 MET A 57 1.182 21.934 15.679 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.188 24.247 12.100 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.883 22.903 11.635 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.567 22.587 12.618 1.00 0.00 H new ATOM 924 N ASP A 58 3.962 18.671 13.162 1.00 0.00 N ATOM 925 CA ASP A 58 4.940 17.586 13.222 1.00 0.00 C ATOM 926 C ASP A 58 5.805 17.529 11.969 1.00 0.00 C ATOM 927 O ASP A 58 7.015 17.347 12.060 1.00 0.00 O ATOM 928 CB ASP A 58 4.208 16.248 13.409 1.00 0.00 C ATOM 929 CG ASP A 58 5.153 15.049 13.334 1.00 0.00 C ATOM 930 OD1 ASP A 58 6.157 15.065 14.078 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.852 14.129 12.538 1.00 0.00 O ATOM 0 H ASP A 58 3.058 18.382 13.535 1.00 0.00 H new ATOM 0 HA ASP A 58 5.600 17.776 14.069 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.700 16.247 14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.438 16.148 12.644 1.00 0.00 H new ATOM 936 N ASP A 59 5.173 17.697 10.809 1.00 0.00 N ATOM 937 CA ASP A 59 5.811 17.739 9.505 1.00 0.00 C ATOM 938 C ASP A 59 7.150 18.485 9.531 1.00 0.00 C ATOM 939 O ASP A 59 8.153 17.968 9.033 1.00 0.00 O ATOM 940 CB ASP A 59 4.849 18.437 8.540 1.00 0.00 C ATOM 941 CG ASP A 59 5.388 18.439 7.124 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.732 17.335 6.656 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.441 19.540 6.539 1.00 0.00 O ATOM 0 H ASP A 59 4.161 17.812 10.755 1.00 0.00 H new ATOM 0 HA ASP A 59 6.028 16.719 9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.882 17.935 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.683 19.463 8.869 1.00 0.00 H new ATOM 948 N LEU A 60 7.178 19.691 10.108 1.00 0.00 N ATOM 949 CA LEU A 60 8.395 20.493 10.114 1.00 0.00 C ATOM 950 C LEU A 60 9.503 19.789 10.899 1.00 0.00 C ATOM 951 O LEU A 60 10.648 19.750 10.457 1.00 0.00 O ATOM 952 CB LEU A 60 8.113 21.933 10.580 1.00 0.00 C ATOM 953 CG LEU A 60 7.859 22.114 12.089 1.00 0.00 C ATOM 954 CD1 LEU A 60 9.144 22.493 12.840 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.820 23.218 12.314 1.00 0.00 C ATOM 0 H LEU A 60 6.379 20.125 10.571 1.00 0.00 H new ATOM 0 HA LEU A 60 8.764 20.588 9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.959 22.559 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.244 22.306 10.038 1.00 0.00 H new ATOM 0 HG LEU A 60 7.496 21.161 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.924 22.612 13.901 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.887 21.706 12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.534 23.430 12.443 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.645 23.341 13.383 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.189 24.155 11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.886 22.944 11.823 1.00 0.00 H new ATOM 967 N ASP A 61 9.156 19.197 12.045 1.00 0.00 N ATOM 968 CA ASP A 61 10.102 18.510 12.915 1.00 0.00 C ATOM 969 C ASP A 61 10.581 17.230 12.240 1.00 0.00 C ATOM 970 O ASP A 61 11.763 16.899 12.288 1.00 0.00 O ATOM 971 CB ASP A 61 9.447 18.190 14.264 1.00 0.00 C ATOM 972 CG ASP A 61 8.908 19.438 14.952 1.00 0.00 C ATOM 973 OD1 ASP A 61 9.724 20.126 15.602 1.00 0.00 O ATOM 974 OD2 ASP A 61 7.691 19.684 14.803 1.00 0.00 O ATOM 0 H ASP A 61 8.198 19.184 12.395 1.00 0.00 H new ATOM 0 HA ASP A 61 10.959 19.159 13.095 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.633 17.481 14.112 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.175 17.705 14.914 1.00 0.00 H new ATOM 979 N ARG A 62 9.650 16.507 11.615 1.00 0.00 N ATOM 980 CA ARG A 62 9.919 15.277 10.894 1.00 0.00 C ATOM 981 C ARG A 62 10.941 15.530 9.783 1.00 0.00 C ATOM 982 O ARG A 62 11.923 14.804 9.664 1.00 0.00 O ATOM 983 CB ARG A 62 8.592 14.725 10.345 1.00 0.00 C ATOM 984 CG ARG A 62 8.780 13.374 9.642 1.00 0.00 C ATOM 985 CD ARG A 62 7.471 12.809 9.079 1.00 0.00 C ATOM 986 NE ARG A 62 6.470 12.601 10.135 1.00 0.00 N ATOM 987 CZ ARG A 62 5.552 11.625 10.188 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.462 10.694 9.232 1.00 0.00 N ATOM 989 NH2 ARG A 62 4.698 11.615 11.213 1.00 0.00 N ATOM 0 H ARG A 62 8.666 16.774 11.600 1.00 0.00 H new ATOM 0 HA ARG A 62 10.352 14.532 11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.880 14.613 11.163 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.163 15.442 9.645 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.499 13.489 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.205 12.659 10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.072 13.492 8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.670 11.863 8.575 1.00 0.00 H new ATOM 0 HE ARG A 62 6.474 13.268 10.907 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.101 10.715 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.754 9.963 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.754 12.338 11.930 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.989 10.885 11.279 1.00 0.00 H new ATOM 1068 N GLU A 67 14.046 15.116 2.822 1.00 0.00 N ATOM 1069 CA GLU A 67 12.884 14.401 2.323 1.00 0.00 C ATOM 1070 C GLU A 67 12.568 13.224 3.254 1.00 0.00 C ATOM 1071 O GLU A 67 13.412 12.795 4.044 1.00 0.00 O ATOM 1072 CB GLU A 67 13.142 13.890 0.893 1.00 0.00 C ATOM 1073 CG GLU A 67 13.224 15.001 -0.166 1.00 0.00 C ATOM 1074 CD GLU A 67 14.393 15.962 0.035 1.00 0.00 C ATOM 1075 OE1 GLU A 67 15.477 15.470 0.425 1.00 0.00 O ATOM 1076 OE2 GLU A 67 14.176 17.173 -0.179 1.00 0.00 O ATOM 0 HA GLU A 67 12.032 15.080 2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.074 13.325 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.346 13.198 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.307 14.544 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.294 15.569 -0.156 1.00 0.00 H new ATOM 1083 N VAL A 68 11.364 12.672 3.111 1.00 0.00 N ATOM 1084 CA VAL A 68 10.918 11.437 3.721 1.00 0.00 C ATOM 1085 C VAL A 68 10.657 10.429 2.598 1.00 0.00 C ATOM 1086 O VAL A 68 10.297 10.823 1.481 1.00 0.00 O ATOM 1087 CB VAL A 68 9.670 11.681 4.590 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.936 12.719 5.686 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.419 12.072 3.802 1.00 0.00 C ATOM 0 H VAL A 68 10.641 13.103 2.535 1.00 0.00 H new ATOM 0 HA VAL A 68 11.680 11.037 4.390 1.00 0.00 H new ATOM 0 HB VAL A 68 9.463 10.713 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.032 12.863 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.740 12.368 6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.225 13.665 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.588 12.225 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.609 12.994 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.167 11.276 3.101 1.00 0.00 H new ATOM 1099 N ASN A 69 10.862 9.140 2.894 1.00 0.00 N ATOM 1100 CA ASN A 69 10.611 8.045 1.961 1.00 0.00 C ATOM 1101 C ASN A 69 9.152 7.601 2.018 1.00 0.00 C ATOM 1102 O ASN A 69 8.385 8.050 2.869 1.00 0.00 O ATOM 1103 CB ASN A 69 11.555 6.853 2.220 1.00 0.00 C ATOM 1104 CG ASN A 69 10.959 5.793 3.154 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.368 4.811 2.709 1.00 0.00 O ATOM 1106 ND2 ASN A 69 11.076 5.985 4.460 1.00 0.00 N ATOM 0 H ASN A 69 11.211 8.829 3.800 1.00 0.00 H new ATOM 0 HA ASN A 69 10.816 8.418 0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.808 6.386 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.485 7.223 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.673 5.313 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.570 6.805 4.813 1.00 0.00 H new ATOM 1113 N PHE A 70 8.809 6.664 1.130 1.00 0.00 N ATOM 1114 CA PHE A 70 7.505 6.033 1.054 1.00 0.00 C ATOM 1115 C PHE A 70 6.942 5.688 2.434 1.00 0.00 C ATOM 1116 O PHE A 70 5.927 6.260 2.815 1.00 0.00 O ATOM 1117 CB PHE A 70 7.574 4.814 0.125 1.00 0.00 C ATOM 1118 CG PHE A 70 6.239 4.142 -0.132 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.179 4.869 -0.706 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.080 2.768 0.128 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.969 4.226 -1.019 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.875 2.125 -0.197 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.814 2.854 -0.760 1.00 0.00 C ATOM 0 H PHE A 70 9.459 6.318 0.424 1.00 0.00 H new ATOM 0 HA PHE A 70 6.801 6.748 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.000 5.124 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.257 4.083 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.296 5.924 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.886 2.208 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.158 4.787 -1.459 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.763 1.067 -0.014 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.882 2.361 -0.993 1.00 0.00 H new ATOM 1133 N GLN A 71 7.565 4.797 3.215 1.00 0.00 N ATOM 1134 CA GLN A 71 6.929 4.374 4.465 1.00 0.00 C ATOM 1135 C GLN A 71 6.792 5.531 5.460 1.00 0.00 C ATOM 1136 O GLN A 71 5.849 5.544 6.242 1.00 0.00 O ATOM 1137 CB GLN A 71 7.603 3.143 5.089 1.00 0.00 C ATOM 1138 CG GLN A 71 6.972 2.706 6.433 1.00 0.00 C ATOM 1139 CD GLN A 71 5.454 2.477 6.428 1.00 0.00 C ATOM 1140 OE1 GLN A 71 4.746 2.905 7.336 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.933 1.774 5.429 1.00 0.00 N ATOM 0 H GLN A 71 8.470 4.371 3.015 1.00 0.00 H new ATOM 0 HA GLN A 71 5.918 4.061 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.548 2.313 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.660 3.358 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.456 1.784 6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.201 3.464 7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.534 1.426 4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.931 1.582 5.408 1.00 0.00 H new ATOM 1150 N GLU A 72 7.696 6.513 5.450 1.00 0.00 N ATOM 1151 CA GLU A 72 7.546 7.683 6.307 1.00 0.00 C ATOM 1152 C GLU A 72 6.332 8.512 5.870 1.00 0.00 C ATOM 1153 O GLU A 72 5.525 8.929 6.703 1.00 0.00 O ATOM 1154 CB GLU A 72 8.820 8.521 6.263 1.00 0.00 C ATOM 1155 CG GLU A 72 9.989 7.883 7.019 1.00 0.00 C ATOM 1156 CD GLU A 72 11.291 8.604 6.683 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.722 8.462 5.515 1.00 0.00 O ATOM 1158 OE2 GLU A 72 11.819 9.293 7.581 1.00 0.00 O ATOM 0 H GLU A 72 8.530 6.519 4.863 1.00 0.00 H new ATOM 0 HA GLU A 72 7.379 7.356 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.109 8.676 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.615 9.504 6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.806 7.929 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.070 6.829 6.755 1.00 0.00 H new ATOM 1165 N TYR A 73 6.188 8.745 4.561 1.00 0.00 N ATOM 1166 CA TYR A 73 5.002 9.383 4.002 1.00 0.00 C ATOM 1167 C TYR A 73 3.752 8.610 4.439 1.00 0.00 C ATOM 1168 O TYR A 73 2.818 9.180 5.004 1.00 0.00 O ATOM 1169 CB TYR A 73 5.125 9.475 2.469 1.00 0.00 C ATOM 1170 CG TYR A 73 3.825 9.324 1.695 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.909 10.390 1.611 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.519 8.096 1.080 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.718 10.236 0.877 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.307 7.930 0.391 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.430 9.016 0.245 1.00 0.00 C ATOM 1176 OH TYR A 73 0.326 8.907 -0.548 1.00 0.00 O ATOM 0 H TYR A 73 6.891 8.496 3.865 1.00 0.00 H new ATOM 0 HA TYR A 73 4.912 10.402 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.568 10.438 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.819 8.706 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.120 11.325 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.220 7.277 1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.023 11.059 0.800 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.050 6.968 -0.026 1.00 0.00 H new ATOM 0 HH TYR A 73 0.463 8.191 -1.203 1.00 0.00 H new ATOM 1186 N ILE A 74 3.751 7.294 4.213 1.00 0.00 N ATOM 1187 CA ILE A 74 2.670 6.419 4.629 1.00 0.00 C ATOM 1188 C ILE A 74 2.436 6.575 6.133 1.00 0.00 C ATOM 1189 O ILE A 74 1.292 6.619 6.558 1.00 0.00 O ATOM 1190 CB ILE A 74 2.957 4.953 4.257 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.097 4.687 2.744 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.859 4.053 4.809 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.781 4.757 1.966 1.00 0.00 C ATOM 0 H ILE A 74 4.509 6.809 3.732 1.00 0.00 H new ATOM 0 HA ILE A 74 1.763 6.708 4.099 1.00 0.00 H new ATOM 0 HB ILE A 74 3.926 4.729 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.793 5.412 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.538 3.701 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.069 3.017 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.822 4.148 5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.899 4.349 4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.971 4.558 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.087 4.013 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.346 5.751 2.075 1.00 0.00 H new ATOM 1205 N THR A 75 3.489 6.669 6.947 1.00 0.00 N ATOM 1206 CA THR A 75 3.366 6.881 8.382 1.00 0.00 C ATOM 1207 C THR A 75 2.692 8.215 8.683 1.00 0.00 C ATOM 1208 O THR A 75 1.914 8.295 9.627 1.00 0.00 O ATOM 1209 CB THR A 75 4.720 6.714 9.088 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.194 5.398 8.892 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.618 6.944 10.598 1.00 0.00 C ATOM 0 H THR A 75 4.454 6.599 6.623 1.00 0.00 H new ATOM 0 HA THR A 75 2.714 6.109 8.791 1.00 0.00 H new ATOM 0 HB THR A 75 5.395 7.455 8.660 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.385 5.257 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.600 6.815 11.053 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.260 7.956 10.789 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.921 6.225 11.029 1.00 0.00 H new ATOM 1219 N PHE A 76 2.946 9.259 7.891 1.00 0.00 N ATOM 1220 CA PHE A 76 2.194 10.504 8.013 1.00 0.00 C ATOM 1221 C PHE A 76 0.693 10.201 7.892 1.00 0.00 C ATOM 1222 O PHE A 76 -0.087 10.511 8.792 1.00 0.00 O ATOM 1223 CB PHE A 76 2.676 11.526 6.972 1.00 0.00 C ATOM 1224 CG PHE A 76 2.399 12.976 7.322 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.286 13.669 8.166 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.340 13.671 6.708 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.118 15.043 8.401 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.194 15.053 6.917 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.088 15.741 7.752 1.00 0.00 C ATOM 0 H PHE A 76 3.662 9.265 7.164 1.00 0.00 H new ATOM 0 HA PHE A 76 2.367 10.952 8.991 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.750 11.400 6.831 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.201 11.301 6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.102 13.140 8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.641 13.143 6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.780 15.561 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.390 15.588 6.433 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.983 16.806 7.895 1.00 0.00 H new ATOM 1239 N LEU A 77 0.295 9.536 6.803 1.00 0.00 N ATOM 1240 CA LEU A 77 -1.105 9.192 6.557 1.00 0.00 C ATOM 1241 C LEU A 77 -1.672 8.231 7.609 1.00 0.00 C ATOM 1242 O LEU A 77 -2.820 8.359 8.023 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.274 8.575 5.163 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.811 9.463 3.998 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.166 8.742 2.695 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.472 10.847 4.012 1.00 0.00 C ATOM 0 H LEU A 77 0.933 9.223 6.071 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.666 10.124 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.719 7.637 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.326 8.329 5.016 1.00 0.00 H new ATOM 0 HG LEU A 77 0.263 9.626 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.850 9.348 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.658 7.778 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.244 8.586 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.109 11.432 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.554 10.734 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.224 11.359 4.942 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.892 7.238 8.022 1.00 0.00 N ATOM 1259 CA GLY A 78 -1.322 6.183 8.920 1.00 0.00 C ATOM 1260 C GLY A 78 -1.471 6.727 10.334 1.00 0.00 C ATOM 1261 O GLY A 78 -2.470 6.470 11.003 1.00 0.00 O ATOM 0 H GLY A 78 0.081 7.146 7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.271 5.769 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.598 5.369 8.910 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.504 7.524 10.788 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.609 8.212 12.059 1.00 0.00 C ATOM 1267 C ALA A 79 -1.779 9.200 12.019 1.00 0.00 C ATOM 1268 O ALA A 79 -2.576 9.221 12.950 1.00 0.00 O ATOM 1269 CB ALA A 79 0.726 8.868 12.414 1.00 0.00 C ATOM 0 H ALA A 79 0.364 7.705 10.284 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.825 7.500 12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.636 9.382 13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.500 8.103 12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.995 9.587 11.640 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.925 9.985 10.942 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.091 10.851 10.751 1.00 0.00 C ATOM 1277 C LEU A 80 -4.377 10.049 10.967 1.00 0.00 C ATOM 1278 O LEU A 80 -5.199 10.372 11.832 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.044 11.457 9.335 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.246 12.346 8.990 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.033 13.742 9.561 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.422 12.471 7.474 1.00 0.00 C ATOM 0 H LEU A 80 -1.242 10.036 10.186 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.076 11.662 11.479 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.131 12.044 9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.985 10.647 8.608 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.136 11.885 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.889 14.371 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.929 13.680 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.129 14.176 9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.281 13.106 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.526 12.913 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.585 11.483 7.044 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.521 8.988 10.169 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.642 8.072 10.206 1.00 0.00 C ATOM 1296 C ALA A 81 -5.910 7.611 11.631 1.00 0.00 C ATOM 1297 O ALA A 81 -7.035 7.736 12.103 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.371 6.883 9.281 1.00 0.00 C ATOM 0 H ALA A 81 -3.832 8.743 9.458 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.535 8.587 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.217 6.197 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.231 7.240 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.471 6.364 9.610 1.00 0.00 H new ATOM 1304 N MET A 82 -4.890 7.079 12.303 1.00 0.00 N ATOM 1305 CA MET A 82 -5.018 6.530 13.639 1.00 0.00 C ATOM 1306 C MET A 82 -5.401 7.597 14.664 1.00 0.00 C ATOM 1307 O MET A 82 -6.220 7.329 15.541 1.00 0.00 O ATOM 1308 CB MET A 82 -3.731 5.787 14.006 1.00 0.00 C ATOM 1309 CG MET A 82 -3.782 5.211 15.426 1.00 0.00 C ATOM 1310 SD MET A 82 -2.698 3.795 15.721 1.00 0.00 S ATOM 1311 CE MET A 82 -1.110 4.481 15.206 1.00 0.00 C ATOM 0 H MET A 82 -3.944 7.020 11.925 1.00 0.00 H new ATOM 0 HA MET A 82 -5.840 5.814 13.652 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.564 4.979 13.294 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.884 6.467 13.922 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.522 6.001 16.131 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.808 4.915 15.644 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.313 3.782 15.459 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.118 4.648 14.129 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.939 5.427 15.719 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.812 8.793 14.587 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.123 9.834 15.552 1.00 0.00 C ATOM 1323 C ILE A 83 -6.588 10.257 15.403 1.00 0.00 C ATOM 1324 O ILE A 83 -7.289 10.286 16.417 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.135 11.015 15.502 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.700 10.576 15.848 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.553 12.085 16.527 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.680 11.645 15.437 1.00 0.00 C ATOM 0 H ILE A 83 -4.129 9.056 13.877 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.996 9.422 16.553 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.156 11.408 14.485 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.622 10.388 16.919 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.472 9.638 15.342 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.852 12.919 16.489 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.555 12.443 16.291 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.548 11.652 17.527 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.676 11.307 15.694 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.743 11.813 14.362 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.896 12.575 15.963 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.064 10.598 14.191 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.459 11.032 14.066 1.00 0.00 C ATOM 1342 C TYR A 84 -9.463 9.875 14.142 1.00 0.00 C ATOM 1343 O TYR A 84 -10.479 10.001 14.827 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.738 12.146 13.034 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.274 12.068 11.590 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.302 10.864 10.863 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.098 13.283 10.896 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.129 10.878 9.466 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.888 13.296 9.509 1.00 0.00 C ATOM 1350 CZ TYR A 84 -7.917 12.091 8.790 1.00 0.00 C ATOM 1351 OH TYR A 84 -7.760 12.094 7.437 1.00 0.00 O ATOM 0 H TYR A 84 -6.528 10.582 13.323 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.657 11.594 14.978 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.820 12.278 13.005 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.316 13.063 13.446 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.457 9.927 11.378 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.125 14.216 11.440 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.159 9.952 8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.705 14.229 8.997 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.624 13.013 7.126 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.176 8.712 13.546 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.973 7.506 13.782 1.00 0.00 C ATOM 1363 C ASN A 85 -9.492 6.901 15.095 1.00 0.00 C ATOM 1364 O ASN A 85 -8.942 5.800 15.112 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.862 6.472 12.651 1.00 0.00 C ATOM 1366 CG ASN A 85 -10.317 7.005 11.302 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.486 6.915 10.942 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.377 7.538 10.533 1.00 0.00 N ATOM 0 H ASN A 85 -8.399 8.582 12.898 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.026 7.785 13.822 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.827 6.140 12.572 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.459 5.597 12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.616 7.891 9.606 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.415 7.595 10.868 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.705 7.637 16.191 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.147 7.354 17.509 1.00 0.00 C ATOM 1377 C GLU A 86 -9.327 5.887 17.917 1.00 0.00 C ATOM 1378 O GLU A 86 -8.463 5.317 18.580 1.00 0.00 O ATOM 1379 CB GLU A 86 -9.732 8.349 18.520 1.00 0.00 C ATOM 1380 CG GLU A 86 -9.058 8.214 19.889 1.00 0.00 C ATOM 1381 CD GLU A 86 -9.198 9.487 20.717 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -10.358 9.900 20.934 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -8.139 10.028 21.104 1.00 0.00 O ATOM 0 H GLU A 86 -10.290 8.472 16.180 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.066 7.494 17.483 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.604 9.366 18.148 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.804 8.179 18.622 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.500 7.378 20.431 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.001 7.983 19.753 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.431 5.275 17.478 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.699 3.843 17.533 1.00 0.00 C ATOM 1392 C ALA A 87 -9.427 2.994 17.388 1.00 0.00 C ATOM 1393 O ALA A 87 -9.173 2.099 18.193 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.673 3.510 16.396 1.00 0.00 C ATOM 0 H ALA A 87 -11.199 5.796 17.054 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.120 3.605 18.510 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.895 2.443 16.408 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.596 4.075 16.530 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.221 3.775 15.440 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.626 3.278 16.356 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.440 2.506 16.008 1.00 0.00 C ATOM 1402 C LEU A 88 -6.378 2.497 17.110 1.00 0.00 C ATOM 1403 O LEU A 88 -5.534 1.608 17.107 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.838 3.032 14.700 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.642 2.641 13.451 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -7.126 3.443 12.255 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.492 1.149 13.127 1.00 0.00 C ATOM 0 H LEU A 88 -8.791 4.067 15.731 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.765 1.473 15.882 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.770 4.119 14.752 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.821 2.653 14.600 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.693 2.853 13.648 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.692 3.171 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.248 4.508 12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.071 3.222 12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.075 0.909 12.237 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.442 0.920 12.946 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.853 0.556 13.968 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.537 13.193 1.296 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.950 11.861 1.221 1.00 0.00 C ATOM 1471 C ALA B 2 -13.155 11.710 -0.079 1.00 0.00 C ATOM 1472 O ALA B 2 -13.492 10.901 -0.941 1.00 0.00 O ATOM 1473 CB ALA B 2 -15.023 10.783 1.379 1.00 0.00 C ATOM 0 HA ALA B 2 -13.253 11.730 2.048 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.560 9.798 1.319 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.513 10.896 2.346 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.762 10.886 0.584 1.00 0.00 H new ATOM 1479 N SER B 3 -12.096 12.507 -0.214 1.00 0.00 N ATOM 1480 CA SER B 3 -11.200 12.514 -1.357 1.00 0.00 C ATOM 1481 C SER B 3 -10.564 11.131 -1.579 1.00 0.00 C ATOM 1482 O SER B 3 -10.577 10.305 -0.665 1.00 0.00 O ATOM 1483 CB SER B 3 -10.132 13.574 -1.072 1.00 0.00 C ATOM 1484 OG SER B 3 -10.755 14.733 -0.555 1.00 0.00 O ATOM 0 H SER B 3 -11.834 13.188 0.498 1.00 0.00 H new ATOM 0 HA SER B 3 -11.745 12.748 -2.272 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.402 13.190 -0.359 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.589 13.815 -1.986 1.00 0.00 H new ATOM 0 HG SER B 3 -10.075 15.412 -0.364 1.00 0.00 H new ATOM 1490 N PRO B 4 -9.953 10.874 -2.752 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.279 9.615 -3.050 1.00 0.00 C ATOM 1492 C PRO B 4 -8.396 9.114 -1.903 1.00 0.00 C ATOM 1493 O PRO B 4 -8.489 7.949 -1.523 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.488 9.869 -4.335 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.368 10.888 -5.057 1.00 0.00 C ATOM 1496 CD PRO B 4 -9.885 11.755 -3.909 1.00 0.00 C ATOM 0 HA PRO B 4 -10.003 8.810 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.493 10.263 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.356 8.958 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.801 11.472 -5.782 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.182 10.408 -5.601 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.218 12.596 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.865 12.171 -4.143 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.572 9.993 -1.318 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.792 9.633 -0.140 1.00 0.00 C ATOM 1506 C LEU B 5 -7.684 9.132 0.992 1.00 0.00 C ATOM 1507 O LEU B 5 -7.412 8.079 1.555 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.955 10.813 0.383 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.472 10.803 -0.010 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.752 11.863 0.835 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.773 9.459 0.246 1.00 0.00 C ATOM 0 H LEU B 5 -7.433 10.950 -1.642 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.122 8.835 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.401 11.739 0.022 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.024 10.829 1.471 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.425 10.999 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.693 11.878 0.576 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -4.187 12.843 0.638 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.863 11.623 1.892 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.728 9.529 -0.056 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.828 9.216 1.307 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.266 8.677 -0.331 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.724 9.888 1.352 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.605 9.520 2.451 1.00 0.00 C ATOM 1525 C ASP B 6 -10.217 8.146 2.186 1.00 0.00 C ATOM 1526 O ASP B 6 -10.229 7.292 3.067 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.688 10.580 2.645 1.00 0.00 C ATOM 1528 CG ASP B 6 -11.600 10.212 3.811 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -11.218 10.538 4.955 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.661 9.610 3.533 1.00 0.00 O ATOM 0 H ASP B 6 -8.973 10.763 0.892 1.00 0.00 H new ATOM 0 HA ASP B 6 -9.025 9.466 3.372 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -10.226 11.550 2.830 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.277 10.677 1.733 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.695 7.929 0.960 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.256 6.652 0.544 1.00 0.00 C ATOM 1537 C GLN B 7 -10.222 5.528 0.699 1.00 0.00 C ATOM 1538 O GLN B 7 -10.503 4.492 1.298 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.761 6.782 -0.899 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.579 5.559 -1.333 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.026 5.673 -2.787 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -12.699 4.826 -3.611 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.776 6.720 -3.120 1.00 0.00 N ATOM 0 H GLN B 7 -10.702 8.639 0.228 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.098 6.387 1.183 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.374 7.679 -0.989 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -10.912 6.907 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -11.982 4.656 -1.205 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -13.453 5.457 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -14.033 7.409 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.094 6.834 -4.082 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.024 5.721 0.147 1.00 0.00 N ATOM 1553 CA ALA B 8 -7.966 4.718 0.138 1.00 0.00 C ATOM 1554 C ALA B 8 -7.482 4.393 1.556 1.00 0.00 C ATOM 1555 O ALA B 8 -7.337 3.229 1.930 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.831 5.227 -0.742 1.00 0.00 C ATOM 0 H ALA B 8 -8.760 6.593 -0.313 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.352 3.784 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.028 4.490 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.200 5.389 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.452 6.166 -0.339 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.259 5.429 2.365 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.993 5.292 3.789 1.00 0.00 C ATOM 1564 C ILE B 9 -8.130 4.475 4.405 1.00 0.00 C ATOM 1565 O ILE B 9 -7.876 3.460 5.047 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.817 6.685 4.431 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.491 7.315 3.964 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.853 6.598 5.962 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.392 8.808 4.296 1.00 0.00 C ATOM 0 H ILE B 9 -7.259 6.396 2.042 1.00 0.00 H new ATOM 0 HA ILE B 9 -6.059 4.761 3.973 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.646 7.316 4.111 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.659 6.788 4.431 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.389 7.180 2.887 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.727 7.594 6.386 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.811 6.187 6.281 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.047 5.951 6.309 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.437 9.197 3.943 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -6.205 9.344 3.807 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.464 8.946 5.375 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.378 4.885 4.167 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.580 4.172 4.574 1.00 0.00 C ATOM 1583 C GLY B 10 -10.496 2.681 4.252 1.00 0.00 C ATOM 1584 O GLY B 10 -10.766 1.848 5.112 1.00 0.00 O ATOM 0 H GLY B 10 -9.581 5.752 3.669 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.735 4.304 5.645 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.446 4.604 4.071 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.104 2.334 3.026 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.868 0.953 2.625 1.00 0.00 C ATOM 1590 C LEU B 11 -8.824 0.281 3.529 1.00 0.00 C ATOM 1591 O LEU B 11 -9.116 -0.757 4.120 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.491 0.895 1.135 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.733 0.804 0.234 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.523 1.538 -1.096 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.048 -0.669 -0.049 1.00 0.00 C ATOM 0 H LEU B 11 -9.941 3.010 2.280 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.788 0.383 2.752 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -8.915 1.782 0.871 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.848 0.033 0.956 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.563 1.279 0.757 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.423 1.451 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.316 2.590 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.681 1.095 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -11.929 -0.737 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.199 -1.133 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.241 -1.187 0.891 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.617 0.844 3.662 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.569 0.228 4.486 1.00 0.00 C ATOM 1609 C LEU B 12 -7.021 0.055 5.945 1.00 0.00 C ATOM 1610 O LEU B 12 -6.771 -0.993 6.553 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.246 1.010 4.395 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.337 0.511 3.257 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -4.984 0.687 1.886 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.010 1.273 3.259 1.00 0.00 C ATOM 0 H LEU B 12 -7.343 1.718 3.214 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.388 -0.769 4.084 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.464 2.067 4.243 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.714 0.927 5.343 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.170 -0.551 3.436 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.307 0.321 1.114 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.916 0.122 1.848 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.193 1.743 1.715 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.379 0.908 2.448 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.201 2.337 3.119 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.503 1.118 4.211 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.689 1.070 6.502 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.336 0.984 7.809 1.00 0.00 C ATOM 1628 C ILE B 13 -9.294 -0.207 7.819 1.00 0.00 C ATOM 1629 O ILE B 13 -9.154 -1.098 8.651 1.00 0.00 O ATOM 1630 CB ILE B 13 -9.076 2.291 8.165 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -8.082 3.451 8.349 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.927 2.106 9.436 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.805 4.777 8.615 1.00 0.00 C ATOM 0 H ILE B 13 -7.795 1.980 6.053 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.569 0.838 8.569 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.741 2.538 7.337 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.412 3.228 9.179 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.463 3.546 7.457 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.440 3.039 9.669 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.663 1.319 9.270 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.281 1.829 10.269 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -8.071 5.573 8.740 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.456 5.012 7.773 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -9.403 4.690 9.522 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.275 -0.213 6.914 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.323 -1.218 6.835 1.00 0.00 C ATOM 1647 C GLY B 14 -10.737 -2.624 6.799 1.00 0.00 C ATOM 1648 O GLY B 14 -11.159 -3.499 7.552 1.00 0.00 O ATOM 0 H GLY B 14 -10.359 0.507 6.196 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.989 -1.121 7.692 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.926 -1.049 5.942 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.740 -2.833 5.939 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.028 -4.096 5.841 1.00 0.00 C ATOM 1654 C ILE B 15 -8.474 -4.504 7.210 1.00 0.00 C ATOM 1655 O ILE B 15 -8.637 -5.649 7.621 1.00 0.00 O ATOM 1656 CB ILE B 15 -7.938 -3.991 4.759 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.544 -3.871 3.346 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -6.977 -5.181 4.849 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.084 -5.181 2.763 1.00 0.00 C ATOM 0 H ILE B 15 -9.406 -2.122 5.289 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.712 -4.888 5.536 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.373 -3.077 4.943 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.354 -3.142 3.374 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -7.783 -3.477 2.672 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.213 -5.091 4.077 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.502 -5.192 5.830 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.531 -6.108 4.704 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.489 -4.997 1.768 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.276 -5.910 2.696 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -9.871 -5.570 3.409 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.834 -3.581 7.936 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.358 -3.884 9.282 1.00 0.00 C ATOM 1673 C PHE B 16 -8.542 -4.251 10.181 1.00 0.00 C ATOM 1674 O PHE B 16 -8.574 -5.317 10.795 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.574 -2.691 9.843 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.701 -3.014 11.040 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.547 -3.800 10.868 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.988 -2.469 12.306 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.660 -4.002 11.940 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.096 -2.665 13.374 1.00 0.00 C ATOM 1681 CZ PHE B 16 -3.936 -3.438 13.196 1.00 0.00 C ATOM 0 H PHE B 16 -7.638 -2.632 7.617 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.683 -4.739 9.247 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.946 -2.282 9.052 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.280 -1.910 10.125 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.341 -4.250 9.908 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.894 -1.900 12.456 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.766 -4.591 11.797 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.303 -2.220 14.336 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.259 -3.598 14.022 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.537 -3.364 10.236 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.721 -3.480 11.072 1.00 0.00 C ATOM 1693 C HIS B 17 -11.393 -4.843 10.903 1.00 0.00 C ATOM 1694 O HIS B 17 -11.825 -5.443 11.885 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.684 -2.331 10.747 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.850 -2.176 11.693 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -13.358 -3.120 12.561 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.621 -1.050 11.816 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -14.405 -2.563 13.195 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -14.604 -1.303 12.775 1.00 0.00 N ATOM 0 H HIS B 17 -9.535 -2.513 9.674 1.00 0.00 H new ATOM 0 HA HIS B 17 -10.426 -3.407 12.119 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -11.120 -1.398 10.737 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -12.073 -2.479 9.739 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -13.004 -4.067 12.697 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -13.491 -0.129 11.268 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -15.005 -3.062 13.942 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.477 -5.322 9.662 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.065 -6.600 9.302 1.00 0.00 C ATOM 1710 C LYS B 18 -11.424 -7.773 10.058 1.00 0.00 C ATOM 1711 O LYS B 18 -12.124 -8.740 10.360 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.968 -6.746 7.774 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.546 -8.052 7.223 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.503 -8.010 5.691 1.00 0.00 C ATOM 1715 CE LYS B 18 -12.884 -9.371 5.099 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.891 -9.330 3.626 1.00 0.00 N ATOM 0 H LYS B 18 -11.123 -4.808 8.855 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.113 -6.625 9.602 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.487 -5.909 7.308 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.921 -6.675 7.481 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.973 -8.903 7.592 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.572 -8.185 7.567 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.187 -7.244 5.324 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.503 -7.730 5.358 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.179 -10.129 5.441 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.869 -9.665 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.967 -10.297 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.702 -8.767 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.009 -8.896 3.287 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.117 -7.710 10.352 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.380 -8.795 11.000 1.00 0.00 C ATOM 1732 C TYR B 19 -9.013 -8.423 12.436 1.00 0.00 C ATOM 1733 O TYR B 19 -9.367 -9.142 13.367 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.136 -9.165 10.176 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.446 -9.891 8.877 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.956 -9.174 7.780 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.256 -11.284 8.766 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.272 -9.837 6.585 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.597 -11.950 7.577 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.095 -11.224 6.483 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.431 -11.861 5.328 1.00 0.00 O ATOM 0 H TYR B 19 -9.540 -6.895 10.143 1.00 0.00 H new ATOM 0 HA TYR B 19 -10.024 -9.673 11.046 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.581 -8.255 9.948 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.484 -9.792 10.784 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.105 -8.107 7.858 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -7.847 -11.840 9.597 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.652 -9.278 5.742 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.476 -13.021 7.504 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.701 -11.200 4.656 1.00 0.00 H new ATOM 1751 N SER B 20 -8.292 -7.320 12.632 1.00 0.00 N ATOM 1752 CA SER B 20 -7.841 -6.878 13.942 1.00 0.00 C ATOM 1753 C SER B 20 -9.008 -6.303 14.735 1.00 0.00 C ATOM 1754 O SER B 20 -9.201 -6.622 15.907 1.00 0.00 O ATOM 1755 CB SER B 20 -6.766 -5.796 13.769 1.00 0.00 C ATOM 1756 OG SER B 20 -6.160 -5.921 12.500 1.00 0.00 O ATOM 0 H SER B 20 -8.003 -6.703 11.873 1.00 0.00 H new ATOM 0 HA SER B 20 -7.429 -7.731 14.482 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.213 -4.807 13.873 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.014 -5.890 14.552 1.00 0.00 H new ATOM 0 HG SER B 20 -5.591 -5.141 12.331 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.178 -2.467 17.951 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.011 -1.736 17.469 1.00 0.00 C ATOM 1849 C HIS B 27 -3.922 -2.688 16.955 1.00 0.00 C ATOM 1850 O HIS B 27 -3.045 -2.272 16.197 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.510 -0.884 18.645 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.329 0.035 18.426 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -2.692 0.723 19.433 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -2.757 0.433 17.244 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.715 1.458 18.876 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -1.700 1.299 17.543 1.00 0.00 N ATOM 0 HA HIS B 27 -5.274 -1.104 16.620 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.344 -0.273 18.989 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -4.254 -1.562 19.459 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -2.921 0.682 20.426 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.069 0.130 16.255 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -1.034 2.091 19.426 1.00 0.00 H new ATOM 1864 N THR B 28 -3.975 -3.955 17.361 1.00 0.00 N ATOM 1865 CA THR B 28 -2.916 -4.937 17.180 1.00 0.00 C ATOM 1866 C THR B 28 -3.428 -6.252 16.586 1.00 0.00 C ATOM 1867 O THR B 28 -4.614 -6.562 16.661 1.00 0.00 O ATOM 1868 CB THR B 28 -2.249 -5.168 18.548 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.207 -5.069 19.584 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.168 -4.123 18.833 1.00 0.00 C ATOM 0 H THR B 28 -4.789 -4.337 17.843 1.00 0.00 H new ATOM 0 HA THR B 28 -2.193 -4.552 16.461 1.00 0.00 H new ATOM 0 HB THR B 28 -1.804 -6.162 18.515 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.771 -5.220 20.449 1.00 0.00 H new ATOM 0 HG21 THR B 28 -0.720 -4.319 19.807 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.399 -4.176 18.063 1.00 0.00 H new ATOM 0 HG23 THR B 28 -1.614 -3.128 18.832 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.515 -7.023 15.985 1.00 0.00 N ATOM 1879 CA LEU B 29 -2.735 -8.400 15.550 1.00 0.00 C ATOM 1880 C LEU B 29 -1.371 -9.076 15.361 1.00 0.00 C ATOM 1881 O LEU B 29 -0.351 -8.432 15.588 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.622 -8.464 14.294 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.281 -7.486 13.158 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.789 -7.389 12.834 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.004 -7.931 11.886 1.00 0.00 C ATOM 0 H LEU B 29 -1.572 -6.691 15.783 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.287 -8.948 16.314 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.576 -9.478 13.896 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.654 -8.287 14.597 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.600 -6.503 13.505 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.639 -6.678 12.022 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.246 -7.052 13.717 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.418 -8.368 12.532 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.768 -7.243 11.074 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.680 -8.936 11.616 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.080 -7.931 12.060 1.00 0.00 H new ATOM 1897 N SER B 30 -1.321 -10.351 14.958 1.00 0.00 N ATOM 1898 CA SER B 30 -0.076 -11.095 14.787 1.00 0.00 C ATOM 1899 C SER B 30 -0.105 -12.026 13.563 1.00 0.00 C ATOM 1900 O SER B 30 -0.937 -11.886 12.667 1.00 0.00 O ATOM 1901 CB SER B 30 0.239 -11.857 16.085 1.00 0.00 C ATOM 1902 OG SER B 30 1.595 -12.281 16.118 1.00 0.00 O ATOM 0 H SER B 30 -2.154 -10.897 14.740 1.00 0.00 H new ATOM 0 HA SER B 30 0.726 -10.384 14.588 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.035 -11.217 16.944 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.417 -12.723 16.169 1.00 0.00 H new ATOM 0 HG SER B 30 1.767 -12.761 16.955 1.00 0.00 H new ATOM 1908 N LYS B 31 0.841 -12.969 13.560 1.00 0.00 N ATOM 1909 CA LYS B 31 1.234 -13.865 12.476 1.00 0.00 C ATOM 1910 C LYS B 31 0.061 -14.343 11.619 1.00 0.00 C ATOM 1911 O LYS B 31 -0.040 -13.996 10.444 1.00 0.00 O ATOM 1912 CB LYS B 31 1.990 -15.074 13.057 1.00 0.00 C ATOM 1913 CG LYS B 31 3.337 -14.666 13.659 1.00 0.00 C ATOM 1914 CD LYS B 31 3.952 -15.698 14.616 1.00 0.00 C ATOM 1915 CE LYS B 31 4.425 -16.994 13.948 1.00 0.00 C ATOM 1916 NZ LYS B 31 3.315 -17.921 13.662 1.00 0.00 N ATOM 0 H LYS B 31 1.401 -13.138 14.395 1.00 0.00 H new ATOM 0 HA LYS B 31 1.881 -13.291 11.813 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.379 -15.551 13.823 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.151 -15.813 12.272 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.040 -14.479 12.848 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.210 -13.725 14.194 1.00 0.00 H new ATOM 0 HD2 LYS B 31 4.799 -15.239 15.127 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.216 -15.948 15.380 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.941 -16.752 13.019 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.149 -17.489 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.645 -18.901 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.534 -17.743 14.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.981 -17.773 12.688 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.802 -15.180 12.199 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.884 -15.821 11.473 1.00 0.00 C ATOM 1932 C LYS B 32 -2.748 -14.768 10.783 1.00 0.00 C ATOM 1933 O LYS B 32 -3.061 -14.893 9.602 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.685 -16.676 12.461 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.701 -17.572 11.748 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.428 -18.468 12.756 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.466 -17.691 13.578 1.00 0.00 C ATOM 1938 NZ LYS B 32 -6.209 -18.586 14.481 1.00 0.00 N ATOM 0 H LYS B 32 -0.764 -15.428 13.188 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.495 -16.470 10.688 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.002 -17.294 13.043 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.205 -16.026 13.165 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.424 -16.957 11.212 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.193 -18.188 11.005 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.922 -19.282 12.226 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.700 -18.921 13.428 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.967 -16.916 14.160 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.162 -17.188 12.907 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.903 -18.033 15.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.704 -19.310 13.922 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -5.546 -19.047 15.136 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.113 -13.720 11.521 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.935 -12.633 11.027 1.00 0.00 C ATOM 1954 C GLU B 33 -3.244 -11.917 9.865 1.00 0.00 C ATOM 1955 O GLU B 33 -3.891 -11.621 8.867 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.271 -11.652 12.153 1.00 0.00 C ATOM 1957 CG GLU B 33 -4.854 -12.332 13.402 1.00 0.00 C ATOM 1958 CD GLU B 33 -3.780 -12.646 14.441 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.091 -13.677 14.275 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -3.627 -11.817 15.363 1.00 0.00 O ATOM 0 H GLU B 33 -2.837 -13.607 12.496 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.870 -13.053 10.656 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.369 -11.108 12.432 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.985 -10.916 11.783 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.610 -11.685 13.847 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.356 -13.254 13.111 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.943 -11.636 9.977 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.180 -11.011 8.897 1.00 0.00 C ATOM 1969 C LEU B 34 -1.174 -11.894 7.647 1.00 0.00 C ATOM 1970 O LEU B 34 -1.495 -11.433 6.550 1.00 0.00 O ATOM 1971 CB LEU B 34 0.263 -10.756 9.342 1.00 0.00 C ATOM 1972 CG LEU B 34 0.403 -9.655 10.399 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.783 -9.798 11.046 1.00 0.00 C ATOM 1974 CD2 LEU B 34 0.253 -8.260 9.778 1.00 0.00 C ATOM 0 H LEU B 34 -1.394 -11.834 10.813 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.661 -10.063 8.657 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.679 -11.682 9.739 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.859 -10.487 8.470 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.386 -9.763 11.143 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.911 -9.026 11.804 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.867 -10.780 11.511 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.555 -9.690 10.284 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.358 -7.503 10.555 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.025 -8.113 9.022 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.730 -8.172 9.315 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.782 -13.161 7.803 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.690 -14.082 6.678 1.00 0.00 C ATOM 1988 C LYS B 35 -2.069 -14.253 6.027 1.00 0.00 C ATOM 1989 O LYS B 35 -2.191 -14.204 4.802 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.028 -15.399 7.108 1.00 0.00 C ATOM 1991 CG LYS B 35 1.428 -15.130 7.532 1.00 0.00 C ATOM 1992 CD LYS B 35 2.224 -16.394 7.877 1.00 0.00 C ATOM 1993 CE LYS B 35 2.494 -17.258 6.640 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.608 -18.194 6.873 1.00 0.00 N ATOM 0 H LYS B 35 -0.524 -13.569 8.701 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.039 -13.669 5.908 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -0.582 -15.843 7.935 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.052 -16.115 6.287 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.938 -14.601 6.727 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.426 -14.467 8.397 1.00 0.00 H new ATOM 0 HD2 LYS B 35 3.172 -16.112 8.336 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.674 -16.979 8.615 1.00 0.00 H new ATOM 0 HE2 LYS B 35 1.595 -17.817 6.381 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.727 -16.617 5.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 3.499 -19.024 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 4.509 -17.720 6.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.602 -18.500 7.867 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.117 -14.385 6.848 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.494 -14.339 6.384 1.00 0.00 C ATOM 2010 C GLU B 36 -4.762 -13.057 5.600 1.00 0.00 C ATOM 2011 O GLU B 36 -5.227 -13.139 4.472 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.477 -14.452 7.553 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.709 -15.911 7.959 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.539 -16.034 9.235 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.113 -15.005 9.658 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.589 -17.164 9.767 1.00 0.00 O ATOM 0 H GLU B 36 -3.026 -14.527 7.854 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.645 -15.192 5.723 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.093 -13.893 8.407 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.427 -13.996 7.275 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.214 -16.435 7.148 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.747 -16.402 8.106 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.507 -11.886 6.187 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.753 -10.599 5.550 1.00 0.00 C ATOM 2025 C LEU B 37 -4.198 -10.600 4.130 1.00 0.00 C ATOM 2026 O LEU B 37 -4.959 -10.412 3.182 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.146 -9.450 6.373 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.123 -8.894 7.415 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.356 -8.120 8.490 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.105 -7.930 6.746 1.00 0.00 C ATOM 0 H LEU B 37 -4.120 -11.808 7.128 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.830 -10.440 5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.246 -9.804 6.876 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.841 -8.648 5.701 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.660 -9.730 7.863 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.058 -7.728 9.227 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.647 -8.786 8.982 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.816 -7.294 8.028 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.796 -7.539 7.492 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.554 -7.105 6.294 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.665 -8.458 5.974 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.892 -10.834 3.970 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.317 -10.843 2.630 1.00 0.00 C ATOM 2044 C ILE B 38 -2.992 -11.912 1.762 1.00 0.00 C ATOM 2045 O ILE B 38 -3.531 -11.588 0.707 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.774 -10.894 2.656 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.199 -10.796 1.233 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.201 -12.131 3.353 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.255 -10.315 1.232 1.00 0.00 C ATOM 0 H ILE B 38 -2.234 -11.014 4.728 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.534 -9.892 2.144 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.469 -10.031 3.247 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.258 -11.772 0.750 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.808 -10.111 0.643 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.888 -12.091 3.328 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.540 -12.155 4.389 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.543 -13.029 2.839 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.620 -10.261 0.206 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.312 -9.327 1.690 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.870 -11.014 1.799 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.009 -13.173 2.204 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.488 -14.275 1.377 1.00 0.00 C ATOM 2063 C GLN B 39 -4.942 -14.076 0.919 1.00 0.00 C ATOM 2064 O GLN B 39 -5.262 -14.317 -0.241 1.00 0.00 O ATOM 2065 CB GLN B 39 -3.285 -15.589 2.144 1.00 0.00 C ATOM 2066 CG GLN B 39 -3.677 -16.820 1.315 1.00 0.00 C ATOM 2067 CD GLN B 39 -3.579 -18.099 2.138 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -4.586 -18.738 2.425 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -2.369 -18.481 2.536 1.00 0.00 N ATOM 0 H GLN B 39 -2.695 -13.452 3.133 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.907 -14.310 0.456 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.240 -15.674 2.443 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -3.877 -15.567 3.059 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -4.695 -16.701 0.944 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -3.027 -16.896 0.443 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -1.550 -17.928 2.281 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -2.260 -19.327 3.096 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.832 -13.685 1.834 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.250 -13.514 1.554 1.00 0.00 C ATOM 2080 C LYS B 40 -7.482 -12.205 0.792 1.00 0.00 C ATOM 2081 O LYS B 40 -8.177 -12.205 -0.220 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.094 -13.515 2.847 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.532 -14.884 3.409 1.00 0.00 C ATOM 2084 CD LYS B 40 -7.562 -15.558 4.390 1.00 0.00 C ATOM 2085 CE LYS B 40 -6.555 -16.483 3.700 1.00 0.00 C ATOM 2086 NZ LYS B 40 -7.180 -17.705 3.166 1.00 0.00 N ATOM 0 H LYS B 40 -5.580 -13.477 2.800 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.567 -14.359 0.943 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.525 -13.000 3.621 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -8.991 -12.924 2.664 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.492 -14.757 3.910 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -8.697 -15.561 2.571 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.021 -14.790 4.942 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.133 -16.132 5.119 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.069 -15.943 2.887 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.775 -16.759 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -6.441 -18.356 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -7.735 -18.167 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -7.807 -17.457 2.374 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.954 -11.082 1.290 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.328 -9.769 0.781 1.00 0.00 C ATOM 2102 C GLU B 41 -6.547 -9.366 -0.471 1.00 0.00 C ATOM 2103 O GLU B 41 -7.072 -8.602 -1.280 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.244 -8.717 1.892 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.052 -9.103 3.142 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.539 -9.274 2.849 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.250 -8.247 2.907 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -9.946 -10.423 2.574 1.00 0.00 O ATOM 0 H GLU B 41 -6.268 -11.061 2.044 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.367 -9.831 0.458 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.200 -8.572 2.170 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.608 -7.763 1.511 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.657 -10.032 3.553 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.922 -8.336 3.906 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.312 -9.849 -0.646 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.591 -9.723 -1.908 1.00 0.00 C ATOM 2117 C LEU B 42 -4.812 -11.030 -2.663 1.00 0.00 C ATOM 2118 O LEU B 42 -4.008 -11.955 -2.576 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.111 -9.368 -1.676 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.938 -7.888 -1.289 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.581 -7.637 -0.624 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.050 -6.978 -2.515 1.00 0.00 C ATOM 0 H LEU B 42 -4.790 -10.336 0.083 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.965 -8.896 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.704 -10.001 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.540 -9.578 -2.580 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.737 -7.656 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.493 -6.582 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.501 -8.241 0.280 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.782 -7.909 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.924 -5.939 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.276 -7.241 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.031 -7.105 -2.974 1.00 0.00 H new ATOM 2243 N ASP B 50 8.566 -11.538 -5.771 1.00 0.00 N ATOM 2244 CA ASP B 50 9.015 -12.046 -4.477 1.00 0.00 C ATOM 2245 C ASP B 50 8.291 -11.442 -3.277 1.00 0.00 C ATOM 2246 O ASP B 50 7.986 -12.169 -2.337 1.00 0.00 O ATOM 2247 CB ASP B 50 10.523 -11.814 -4.312 1.00 0.00 C ATOM 2248 CG ASP B 50 11.345 -12.439 -5.435 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.191 -11.956 -6.580 1.00 0.00 O ATOM 2250 OD2 ASP B 50 12.102 -13.386 -5.133 1.00 0.00 O ATOM 0 HA ASP B 50 8.776 -13.109 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.719 -10.742 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.847 -12.228 -3.357 1.00 0.00 H new ATOM 2255 N ALA B 51 8.052 -10.127 -3.288 1.00 0.00 N ATOM 2256 CA ALA B 51 7.464 -9.361 -2.193 1.00 0.00 C ATOM 2257 C ALA B 51 6.500 -10.162 -1.316 1.00 0.00 C ATOM 2258 O ALA B 51 6.737 -10.324 -0.123 1.00 0.00 O ATOM 2259 CB ALA B 51 6.737 -8.152 -2.774 1.00 0.00 C ATOM 0 H ALA B 51 8.274 -9.546 -4.096 1.00 0.00 H new ATOM 0 HA ALA B 51 8.286 -9.062 -1.542 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.293 -7.571 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.445 -7.530 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.952 -8.490 -3.451 1.00 0.00 H new ATOM 2265 N GLU B 52 5.412 -10.663 -1.903 1.00 0.00 N ATOM 2266 CA GLU B 52 4.365 -11.369 -1.177 1.00 0.00 C ATOM 2267 C GLU B 52 4.915 -12.620 -0.481 1.00 0.00 C ATOM 2268 O GLU B 52 4.585 -12.904 0.670 1.00 0.00 O ATOM 2269 CB GLU B 52 3.236 -11.701 -2.168 1.00 0.00 C ATOM 2270 CG GLU B 52 2.169 -12.653 -1.607 1.00 0.00 C ATOM 2271 CD GLU B 52 0.968 -12.785 -2.543 1.00 0.00 C ATOM 2272 OE1 GLU B 52 1.197 -12.817 -3.772 1.00 0.00 O ATOM 2273 OE2 GLU B 52 -0.160 -12.871 -2.012 1.00 0.00 O ATOM 0 H GLU B 52 5.235 -10.587 -2.905 1.00 0.00 H new ATOM 0 HA GLU B 52 3.968 -10.738 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.754 -10.774 -2.477 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.671 -12.147 -3.062 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.611 -13.636 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.833 -12.289 -0.636 1.00 0.00 H new ATOM 2280 N ILE B 53 5.757 -13.368 -1.191 1.00 0.00 N ATOM 2281 CA ILE B 53 6.354 -14.598 -0.703 1.00 0.00 C ATOM 2282 C ILE B 53 7.196 -14.207 0.510 1.00 0.00 C ATOM 2283 O ILE B 53 7.056 -14.757 1.602 1.00 0.00 O ATOM 2284 CB ILE B 53 7.227 -15.256 -1.794 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.499 -15.600 -3.108 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.835 -16.558 -1.251 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.836 -14.431 -3.849 1.00 0.00 C ATOM 0 H ILE B 53 6.046 -13.127 -2.139 1.00 0.00 H new ATOM 0 HA ILE B 53 5.592 -15.330 -0.435 1.00 0.00 H new ATOM 0 HB ILE B 53 7.977 -14.503 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.215 -16.069 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.733 -16.344 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.451 -17.021 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.451 -16.336 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.035 -17.242 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.358 -14.800 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.087 -13.970 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.592 -13.691 -4.112 1.00 0.00 H new ATOM 2299 N VAL B 54 8.057 -13.212 0.298 1.00 0.00 N ATOM 2300 CA VAL B 54 8.926 -12.661 1.315 1.00 0.00 C ATOM 2301 C VAL B 54 8.106 -12.203 2.519 1.00 0.00 C ATOM 2302 O VAL B 54 8.529 -12.464 3.636 1.00 0.00 O ATOM 2303 CB VAL B 54 9.828 -11.576 0.705 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.654 -10.844 1.769 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.787 -12.242 -0.292 1.00 0.00 C ATOM 0 H VAL B 54 8.165 -12.762 -0.611 1.00 0.00 H new ATOM 0 HA VAL B 54 9.601 -13.427 1.697 1.00 0.00 H new ATOM 0 HB VAL B 54 9.188 -10.842 0.215 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.275 -10.087 1.290 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.984 -10.365 2.483 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.290 -11.559 2.291 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.435 -11.485 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.396 -12.982 0.228 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.212 -12.732 -1.078 1.00 0.00 H new ATOM 2315 N LYS B 55 6.931 -11.588 2.339 1.00 0.00 N ATOM 2316 CA LYS B 55 6.089 -11.250 3.482 1.00 0.00 C ATOM 2317 C LYS B 55 5.688 -12.507 4.239 1.00 0.00 C ATOM 2318 O LYS B 55 5.871 -12.585 5.453 1.00 0.00 O ATOM 2319 CB LYS B 55 4.825 -10.471 3.101 1.00 0.00 C ATOM 2320 CG LYS B 55 5.013 -9.173 2.314 1.00 0.00 C ATOM 2321 CD LYS B 55 6.320 -8.400 2.544 1.00 0.00 C ATOM 2322 CE LYS B 55 6.319 -7.520 3.799 1.00 0.00 C ATOM 2323 NZ LYS B 55 6.143 -8.270 5.053 1.00 0.00 N ATOM 0 H LYS B 55 6.551 -11.321 1.431 1.00 0.00 H new ATOM 0 HA LYS B 55 6.694 -10.600 4.114 1.00 0.00 H new ATOM 0 HB2 LYS B 55 4.185 -11.131 2.515 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.285 -10.235 4.018 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.941 -9.408 1.252 1.00 0.00 H new ATOM 0 HG3 LYS B 55 4.181 -8.510 2.551 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.142 -9.112 2.614 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.515 -7.772 1.674 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.258 -6.969 3.845 1.00 0.00 H new ATOM 0 HE3 LYS B 55 5.521 -6.783 3.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 6.136 -7.608 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.242 -8.789 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 6.927 -8.944 5.167 1.00 0.00 H new ATOM 2337 N LEU B 56 5.129 -13.486 3.522 1.00 0.00 N ATOM 2338 CA LEU B 56 4.681 -14.730 4.130 1.00 0.00 C ATOM 2339 C LEU B 56 5.812 -15.375 4.940 1.00 0.00 C ATOM 2340 O LEU B 56 5.559 -15.904 6.021 1.00 0.00 O ATOM 2341 CB LEU B 56 4.117 -15.682 3.063 1.00 0.00 C ATOM 2342 CG LEU B 56 2.799 -15.188 2.439 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.528 -15.956 1.139 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.609 -15.386 3.386 1.00 0.00 C ATOM 0 H LEU B 56 4.978 -13.435 2.515 1.00 0.00 H new ATOM 0 HA LEU B 56 3.872 -14.509 4.826 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.858 -15.812 2.274 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.954 -16.662 3.511 1.00 0.00 H new ATOM 0 HG LEU B 56 2.907 -14.121 2.242 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.595 -15.606 0.697 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.346 -15.787 0.439 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.450 -17.021 1.355 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.699 -15.024 2.907 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.501 -16.446 3.618 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.780 -14.829 4.307 1.00 0.00 H new ATOM 2356 N MET B 57 7.054 -15.332 4.437 1.00 0.00 N ATOM 2357 CA MET B 57 8.197 -15.837 5.190 1.00 0.00 C ATOM 2358 C MET B 57 8.507 -14.898 6.369 1.00 0.00 C ATOM 2359 O MET B 57 8.427 -15.284 7.535 1.00 0.00 O ATOM 2360 CB MET B 57 9.444 -15.992 4.301 1.00 0.00 C ATOM 2361 CG MET B 57 9.320 -16.838 3.024 1.00 0.00 C ATOM 2362 SD MET B 57 8.555 -18.481 3.096 1.00 0.00 S ATOM 2363 CE MET B 57 6.827 -18.092 2.730 1.00 0.00 C ATOM 0 H MET B 57 7.286 -14.954 3.518 1.00 0.00 H new ATOM 0 HA MET B 57 7.934 -16.825 5.568 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.772 -14.994 4.010 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.237 -16.423 4.911 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.758 -16.250 2.299 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.325 -16.965 2.621 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.352 -18.953 2.260 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.305 -17.850 3.656 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.782 -17.238 2.054 1.00 0.00 H new ATOM 2373 N ASP B 58 8.896 -13.660 6.051 1.00 0.00 N ATOM 2374 CA ASP B 58 9.438 -12.686 6.990 1.00 0.00 C ATOM 2375 C ASP B 58 8.499 -12.430 8.159 1.00 0.00 C ATOM 2376 O ASP B 58 8.982 -12.157 9.251 1.00 0.00 O ATOM 2377 CB ASP B 58 9.931 -11.394 6.304 1.00 0.00 C ATOM 2378 CG ASP B 58 8.866 -10.371 5.892 1.00 0.00 C ATOM 2379 OD1 ASP B 58 7.950 -10.097 6.696 1.00 0.00 O ATOM 2380 OD2 ASP B 58 9.021 -9.811 4.786 1.00 0.00 O ATOM 0 H ASP B 58 8.838 -13.300 5.098 1.00 0.00 H new ATOM 0 HA ASP B 58 10.334 -13.137 7.418 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.632 -10.900 6.977 1.00 0.00 H new ATOM 0 HB3 ASP B 58 10.491 -11.677 5.413 1.00 0.00 H new ATOM 2385 N ASP B 59 7.186 -12.568 7.952 1.00 0.00 N ATOM 2386 CA ASP B 59 6.177 -12.552 9.001 1.00 0.00 C ATOM 2387 C ASP B 59 6.664 -13.299 10.242 1.00 0.00 C ATOM 2388 O ASP B 59 6.626 -12.773 11.353 1.00 0.00 O ATOM 2389 CB ASP B 59 4.907 -13.214 8.456 1.00 0.00 C ATOM 2390 CG ASP B 59 3.822 -13.292 9.517 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.041 -12.323 9.586 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.781 -14.325 10.221 1.00 0.00 O ATOM 0 H ASP B 59 6.790 -12.697 7.021 1.00 0.00 H new ATOM 0 HA ASP B 59 5.975 -11.522 9.293 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.540 -12.649 7.599 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.142 -14.217 8.100 1.00 0.00 H new ATOM 2397 N LEU B 60 7.150 -14.526 10.039 1.00 0.00 N ATOM 2398 CA LEU B 60 7.578 -15.382 11.130 1.00 0.00 C ATOM 2399 C LEU B 60 8.689 -14.697 11.933 1.00 0.00 C ATOM 2400 O LEU B 60 8.630 -14.652 13.160 1.00 0.00 O ATOM 2401 CB LEU B 60 8.038 -16.744 10.582 1.00 0.00 C ATOM 2402 CG LEU B 60 7.025 -17.442 9.652 1.00 0.00 C ATOM 2403 CD1 LEU B 60 7.619 -18.770 9.172 1.00 0.00 C ATOM 2404 CD2 LEU B 60 5.677 -17.702 10.329 1.00 0.00 C ATOM 0 H LEU B 60 7.255 -14.946 9.115 1.00 0.00 H new ATOM 0 HA LEU B 60 6.738 -15.557 11.803 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.973 -16.604 10.039 1.00 0.00 H new ATOM 0 HB3 LEU B 60 8.253 -17.404 11.422 1.00 0.00 H new ATOM 0 HG LEU B 60 6.837 -16.772 8.813 1.00 0.00 H new ATOM 0 HD11 LEU B 60 6.908 -19.270 8.514 1.00 0.00 H new ATOM 0 HD12 LEU B 60 8.545 -18.579 8.629 1.00 0.00 H new ATOM 0 HD13 LEU B 60 7.827 -19.407 10.031 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.006 -18.195 9.626 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.824 -18.342 11.199 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.240 -16.755 10.645 1.00 0.00 H new ATOM 2416 N ASP B 61 9.689 -14.146 11.239 1.00 0.00 N ATOM 2417 CA ASP B 61 10.835 -13.495 11.861 1.00 0.00 C ATOM 2418 C ASP B 61 10.431 -12.178 12.529 1.00 0.00 C ATOM 2419 O ASP B 61 10.838 -11.906 13.653 1.00 0.00 O ATOM 2420 CB ASP B 61 11.925 -13.255 10.811 1.00 0.00 C ATOM 2421 CG ASP B 61 13.116 -12.521 11.418 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.892 -13.193 12.131 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.219 -11.300 11.168 1.00 0.00 O ATOM 0 H ASP B 61 9.722 -14.142 10.220 1.00 0.00 H new ATOM 0 HA ASP B 61 11.225 -14.151 12.639 1.00 0.00 H new ATOM 0 HB2 ASP B 61 12.253 -14.209 10.398 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.517 -12.673 9.985 1.00 0.00 H new ATOM 2428 N ARG B 62 9.656 -11.358 11.821 1.00 0.00 N ATOM 2429 CA ARG B 62 9.173 -10.065 12.279 1.00 0.00 C ATOM 2430 C ARG B 62 8.400 -10.245 13.584 1.00 0.00 C ATOM 2431 O ARG B 62 8.671 -9.569 14.575 1.00 0.00 O ATOM 2432 CB ARG B 62 8.313 -9.441 11.164 1.00 0.00 C ATOM 2433 CG ARG B 62 7.697 -8.083 11.537 1.00 0.00 C ATOM 2434 CD ARG B 62 7.114 -7.412 10.280 1.00 0.00 C ATOM 2435 NE ARG B 62 6.345 -6.197 10.581 1.00 0.00 N ATOM 2436 CZ ARG B 62 6.877 -4.993 10.828 1.00 0.00 C ATOM 2437 NH1 ARG B 62 8.193 -4.858 11.022 1.00 0.00 N ATOM 2438 NH2 ARG B 62 6.088 -3.918 10.863 1.00 0.00 N ATOM 0 H ARG B 62 9.338 -11.588 10.879 1.00 0.00 H new ATOM 0 HA ARG B 62 10.000 -9.386 12.487 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.927 -9.317 10.272 1.00 0.00 H new ATOM 0 HB3 ARG B 62 7.512 -10.134 10.906 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.914 -8.221 12.283 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.455 -7.440 11.985 1.00 0.00 H new ATOM 0 HD2 ARG B 62 7.927 -7.161 9.599 1.00 0.00 H new ATOM 0 HD3 ARG B 62 6.471 -8.123 9.761 1.00 0.00 H new ATOM 0 HE ARG B 62 5.328 -6.276 10.604 1.00 0.00 H new ATOM 0 HH11 ARG B 62 8.801 -5.676 10.982 1.00 0.00 H new ATOM 0 HH12 ARG B 62 8.589 -3.937 11.209 1.00 0.00 H new ATOM 0 HH21 ARG B 62 5.086 -4.016 10.702 1.00 0.00 H new ATOM 0 HH22 ARG B 62 6.487 -2.998 11.051 1.00 0.00 H new ATOM 2452 N ASN B 63 7.429 -11.158 13.582 1.00 0.00 N ATOM 2453 CA ASN B 63 6.568 -11.366 14.732 1.00 0.00 C ATOM 2454 C ASN B 63 7.260 -12.198 15.807 1.00 0.00 C ATOM 2455 O ASN B 63 7.335 -11.771 16.957 1.00 0.00 O ATOM 2456 CB ASN B 63 5.276 -12.059 14.302 1.00 0.00 C ATOM 2457 CG ASN B 63 4.354 -11.128 13.523 1.00 0.00 C ATOM 2458 OD1 ASN B 63 4.358 -11.115 12.298 1.00 0.00 O ATOM 2459 ND2 ASN B 63 3.547 -10.340 14.226 1.00 0.00 N ATOM 0 H ASN B 63 7.223 -11.766 12.789 1.00 0.00 H new ATOM 0 HA ASN B 63 6.338 -10.388 15.154 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.518 -12.926 13.687 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.754 -12.430 15.184 1.00 0.00 H new ATOM 0 HD21 ASN B 63 2.910 -9.704 13.746 1.00 0.00 H new ATOM 0 HD22 ASN B 63 3.564 -10.371 15.245 1.00 0.00 H new ATOM 2517 N GLU B 67 2.758 -9.255 18.758 1.00 0.00 N ATOM 2518 CA GLU B 67 1.726 -8.598 17.979 1.00 0.00 C ATOM 2519 C GLU B 67 2.336 -7.341 17.354 1.00 0.00 C ATOM 2520 O GLU B 67 3.133 -6.664 18.001 1.00 0.00 O ATOM 2521 CB GLU B 67 0.523 -8.233 18.853 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.022 -9.433 19.635 1.00 0.00 C ATOM 2523 CD GLU B 67 -1.481 -9.209 20.016 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -2.334 -9.515 19.155 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -1.709 -8.725 21.146 1.00 0.00 O ATOM 0 HA GLU B 67 1.366 -9.272 17.202 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.811 -7.449 19.553 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.268 -7.824 18.224 1.00 0.00 H new ATOM 0 HG2 GLU B 67 0.067 -10.337 19.033 1.00 0.00 H new ATOM 0 HG3 GLU B 67 0.574 -9.589 20.534 1.00 0.00 H new ATOM 2532 N VAL B 68 1.954 -7.027 16.118 1.00 0.00 N ATOM 2533 CA VAL B 68 2.266 -5.770 15.462 1.00 0.00 C ATOM 2534 C VAL B 68 1.036 -4.866 15.563 1.00 0.00 C ATOM 2535 O VAL B 68 -0.094 -5.360 15.555 1.00 0.00 O ATOM 2536 CB VAL B 68 2.681 -6.008 14.001 1.00 0.00 C ATOM 2537 CG1 VAL B 68 4.016 -6.752 13.908 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.613 -6.701 13.154 1.00 0.00 C ATOM 0 H VAL B 68 1.405 -7.659 15.535 1.00 0.00 H new ATOM 0 HA VAL B 68 3.111 -5.285 15.950 1.00 0.00 H new ATOM 0 HB VAL B 68 2.803 -5.012 13.575 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.277 -6.902 12.860 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.794 -6.165 14.395 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.929 -7.720 14.402 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.983 -6.832 12.137 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.383 -7.675 13.585 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.710 -6.090 13.135 1.00 0.00 H new ATOM 2548 N ASN B 69 1.256 -3.553 15.679 1.00 0.00 N ATOM 2549 CA ASN B 69 0.190 -2.559 15.698 1.00 0.00 C ATOM 2550 C ASN B 69 -0.215 -2.153 14.281 1.00 0.00 C ATOM 2551 O ASN B 69 0.422 -2.552 13.307 1.00 0.00 O ATOM 2552 CB ASN B 69 0.595 -1.339 16.546 1.00 0.00 C ATOM 2553 CG ASN B 69 1.151 -0.178 15.716 1.00 0.00 C ATOM 2554 OD1 ASN B 69 2.039 -0.359 14.889 1.00 0.00 O ATOM 2555 ND2 ASN B 69 0.610 1.024 15.885 1.00 0.00 N ATOM 0 H ASN B 69 2.190 -3.151 15.763 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.685 -3.010 16.165 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.273 -0.992 17.107 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.344 -1.646 17.276 1.00 0.00 H new ATOM 0 HD21 ASN B 69 0.932 1.812 15.323 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -0.128 1.159 16.577 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.243 -1.306 14.183 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.676 -0.681 12.941 1.00 0.00 C ATOM 2564 C PHE B 70 -0.498 -0.230 12.068 1.00 0.00 C ATOM 2565 O PHE B 70 -0.318 -0.763 10.978 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.651 0.468 13.234 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.203 1.141 11.991 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -4.037 0.418 11.117 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.888 2.482 11.702 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.577 1.039 9.977 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.423 3.099 10.558 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.266 2.379 9.694 1.00 0.00 C ATOM 0 H PHE B 70 -1.808 -1.033 14.987 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.205 -1.435 12.358 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.482 0.084 13.826 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.143 1.215 13.844 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.263 -0.618 11.323 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.235 3.037 12.359 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.231 0.486 9.319 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.185 4.130 10.342 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.674 2.855 8.815 1.00 0.00 H new ATOM 2582 N GLN B 71 0.333 0.720 12.513 1.00 0.00 N ATOM 2583 CA GLN B 71 1.399 1.225 11.643 1.00 0.00 C ATOM 2584 C GLN B 71 2.374 0.116 11.242 1.00 0.00 C ATOM 2585 O GLN B 71 2.866 0.101 10.118 1.00 0.00 O ATOM 2586 CB GLN B 71 2.149 2.419 12.252 1.00 0.00 C ATOM 2587 CG GLN B 71 2.989 3.147 11.180 1.00 0.00 C ATOM 2588 CD GLN B 71 2.112 3.780 10.103 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.091 4.384 10.416 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.472 3.647 8.830 1.00 0.00 N ATOM 0 H GLN B 71 0.292 1.143 13.440 1.00 0.00 H new ATOM 0 HA GLN B 71 0.906 1.587 10.741 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.436 3.114 12.695 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.799 2.074 13.056 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.594 3.919 11.655 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.679 2.441 10.718 1.00 0.00 H new ATOM 0 HE21 GLN B 71 3.325 3.141 8.591 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.895 4.051 8.092 1.00 0.00 H new ATOM 2599 N GLU B 72 2.665 -0.825 12.135 1.00 0.00 N ATOM 2600 CA GLU B 72 3.508 -1.961 11.798 1.00 0.00 C ATOM 2601 C GLU B 72 2.843 -2.846 10.726 1.00 0.00 C ATOM 2602 O GLU B 72 3.533 -3.365 9.846 1.00 0.00 O ATOM 2603 CB GLU B 72 3.856 -2.715 13.077 1.00 0.00 C ATOM 2604 CG GLU B 72 4.798 -1.911 13.982 1.00 0.00 C ATOM 2605 CD GLU B 72 4.959 -2.593 15.336 1.00 0.00 C ATOM 2606 OE1 GLU B 72 3.922 -2.743 16.019 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.108 -2.969 15.654 1.00 0.00 O ATOM 0 H GLU B 72 2.328 -0.821 13.098 1.00 0.00 H new ATOM 0 HA GLU B 72 4.441 -1.618 11.351 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.941 -2.946 13.622 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.324 -3.666 12.821 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.772 -1.809 13.503 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.405 -0.904 14.121 1.00 0.00 H new ATOM 2614 N TYR B 73 1.517 -2.999 10.754 1.00 0.00 N ATOM 2615 CA TYR B 73 0.771 -3.625 9.661 1.00 0.00 C ATOM 2616 C TYR B 73 0.924 -2.786 8.386 1.00 0.00 C ATOM 2617 O TYR B 73 1.225 -3.314 7.317 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.703 -3.836 10.059 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.740 -3.584 8.973 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.061 -4.591 8.042 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.445 -2.365 8.943 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.108 -4.390 7.122 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.464 -2.154 8.000 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.820 -3.179 7.111 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.877 -3.014 6.264 1.00 0.00 O ATOM 0 H TYR B 73 0.932 -2.694 11.532 1.00 0.00 H new ATOM 0 HA TYR B 73 1.181 -4.614 9.456 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.819 -4.861 10.410 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.926 -3.183 10.903 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.505 -5.517 8.034 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.200 -1.587 9.651 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.365 -5.171 6.421 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.974 -1.203 7.959 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.401 -2.234 6.542 1.00 0.00 H new ATOM 2635 N ILE B 74 0.754 -1.468 8.488 1.00 0.00 N ATOM 2636 CA ILE B 74 0.954 -0.565 7.364 1.00 0.00 C ATOM 2637 C ILE B 74 2.405 -0.649 6.856 1.00 0.00 C ATOM 2638 O ILE B 74 2.653 -0.449 5.669 1.00 0.00 O ATOM 2639 CB ILE B 74 0.544 0.869 7.742 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.922 1.025 8.195 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.800 1.818 6.577 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -1.952 0.869 7.073 1.00 0.00 C ATOM 0 H ILE B 74 0.475 -1.001 9.351 1.00 0.00 H new ATOM 0 HA ILE B 74 0.309 -0.873 6.541 1.00 0.00 H new ATOM 0 HB ILE B 74 1.164 1.119 8.603 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.131 0.286 8.968 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.046 2.007 8.651 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.505 2.829 6.859 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.860 1.807 6.325 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.218 1.498 5.713 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.955 0.994 7.480 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.774 1.625 6.308 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.861 -0.123 6.631 1.00 0.00 H new ATOM 2654 N THR B 75 3.372 -0.966 7.722 1.00 0.00 N ATOM 2655 CA THR B 75 4.747 -1.239 7.318 1.00 0.00 C ATOM 2656 C THR B 75 4.790 -2.530 6.505 1.00 0.00 C ATOM 2657 O THR B 75 5.424 -2.566 5.455 1.00 0.00 O ATOM 2658 CB THR B 75 5.690 -1.290 8.527 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.524 -0.133 9.324 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.158 -1.359 8.099 1.00 0.00 C ATOM 0 H THR B 75 3.218 -1.040 8.728 1.00 0.00 H new ATOM 0 HA THR B 75 5.101 -0.422 6.689 1.00 0.00 H new ATOM 0 HB THR B 75 5.437 -2.189 9.089 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.610 -0.107 9.677 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.794 -1.394 8.984 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.321 -2.255 7.500 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.407 -0.477 7.508 1.00 0.00 H new ATOM 2668 N PHE B 76 4.101 -3.578 6.967 1.00 0.00 N ATOM 2669 CA PHE B 76 3.952 -4.823 6.217 1.00 0.00 C ATOM 2670 C PHE B 76 3.433 -4.515 4.803 1.00 0.00 C ATOM 2671 O PHE B 76 4.065 -4.867 3.805 1.00 0.00 O ATOM 2672 CB PHE B 76 3.029 -5.781 6.991 1.00 0.00 C ATOM 2673 CG PHE B 76 3.164 -7.253 6.658 1.00 0.00 C ATOM 2674 CD1 PHE B 76 2.307 -7.841 5.709 1.00 0.00 C ATOM 2675 CD2 PHE B 76 3.976 -8.072 7.464 1.00 0.00 C ATOM 2676 CE1 PHE B 76 2.237 -9.241 5.594 1.00 0.00 C ATOM 2677 CE2 PHE B 76 3.921 -9.470 7.335 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.039 -10.056 6.412 1.00 0.00 C ATOM 0 H PHE B 76 3.632 -3.584 7.873 1.00 0.00 H new ATOM 0 HA PHE B 76 4.916 -5.319 6.106 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.217 -5.652 8.057 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.996 -5.482 6.811 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.702 -7.216 5.068 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.644 -7.624 8.185 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.566 -9.690 4.877 1.00 0.00 H new ATOM 0 HE2 PHE B 76 4.557 -10.094 7.945 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.977 -11.131 6.331 1.00 0.00 H new ATOM 2688 N LEU B 77 2.302 -3.809 4.706 1.00 0.00 N ATOM 2689 CA LEU B 77 1.743 -3.420 3.415 1.00 0.00 C ATOM 2690 C LEU B 77 2.720 -2.560 2.612 1.00 0.00 C ATOM 2691 O LEU B 77 2.913 -2.788 1.422 1.00 0.00 O ATOM 2692 CB LEU B 77 0.417 -2.670 3.580 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.715 -3.482 4.227 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.000 -2.659 4.092 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.915 -4.856 3.573 1.00 0.00 C ATOM 0 H LEU B 77 1.758 -3.497 5.510 1.00 0.00 H new ATOM 0 HA LEU B 77 1.559 -4.343 2.866 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.594 -1.779 4.182 1.00 0.00 H new ATOM 0 HB3 LEU B 77 0.085 -2.331 2.599 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.456 -3.672 5.269 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.830 -3.204 4.541 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.875 -1.703 4.601 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.210 -2.483 3.037 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.728 -5.382 4.073 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.162 -4.725 2.519 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.002 -5.438 3.661 1.00 0.00 H new ATOM 2707 N GLY B 78 3.328 -1.561 3.247 1.00 0.00 N ATOM 2708 CA GLY B 78 4.266 -0.658 2.603 1.00 0.00 C ATOM 2709 C GLY B 78 5.431 -1.429 1.991 1.00 0.00 C ATOM 2710 O GLY B 78 5.815 -1.181 0.852 1.00 0.00 O ATOM 0 H GLY B 78 3.178 -1.357 4.235 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.754 -0.088 1.827 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.643 0.061 3.331 1.00 0.00 H new ATOM 2714 N ALA B 79 5.991 -2.375 2.746 1.00 0.00 N ATOM 2715 CA ALA B 79 7.067 -3.231 2.288 1.00 0.00 C ATOM 2716 C ALA B 79 6.591 -4.088 1.116 1.00 0.00 C ATOM 2717 O ALA B 79 7.235 -4.087 0.077 1.00 0.00 O ATOM 2718 CB ALA B 79 7.580 -4.081 3.453 1.00 0.00 C ATOM 0 H ALA B 79 5.700 -2.565 3.705 1.00 0.00 H new ATOM 0 HA ALA B 79 7.898 -2.623 1.930 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.389 -4.724 3.106 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.949 -3.429 4.245 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.768 -4.697 3.839 1.00 0.00 H new ATOM 2724 N LEU B 80 5.464 -4.795 1.253 1.00 0.00 N ATOM 2725 CA LEU B 80 4.869 -5.560 0.153 1.00 0.00 C ATOM 2726 C LEU B 80 4.809 -4.704 -1.118 1.00 0.00 C ATOM 2727 O LEU B 80 5.393 -5.034 -2.158 1.00 0.00 O ATOM 2728 CB LEU B 80 3.479 -6.044 0.609 1.00 0.00 C ATOM 2729 CG LEU B 80 2.612 -6.822 -0.396 1.00 0.00 C ATOM 2730 CD1 LEU B 80 1.785 -5.912 -1.311 1.00 0.00 C ATOM 2731 CD2 LEU B 80 3.418 -7.818 -1.229 1.00 0.00 C ATOM 0 H LEU B 80 4.941 -4.853 2.127 1.00 0.00 H new ATOM 0 HA LEU B 80 5.477 -6.430 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.618 -6.675 1.487 1.00 0.00 H new ATOM 0 HB3 LEU B 80 2.912 -5.171 0.931 1.00 0.00 H new ATOM 0 HG LEU B 80 1.915 -7.388 0.222 1.00 0.00 H new ATOM 0 HD11 LEU B 80 1.196 -6.523 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU B 80 1.117 -5.298 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU B 80 2.453 -5.267 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU B 80 2.753 -8.337 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU B 80 4.183 -7.285 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU B 80 3.893 -8.544 -0.569 1.00 0.00 H new ATOM 2743 N ALA B 81 4.110 -3.576 -0.989 1.00 0.00 N ATOM 2744 CA ALA B 81 3.897 -2.604 -2.037 1.00 0.00 C ATOM 2745 C ALA B 81 5.220 -2.210 -2.681 1.00 0.00 C ATOM 2746 O ALA B 81 5.363 -2.337 -3.893 1.00 0.00 O ATOM 2747 CB ALA B 81 3.189 -1.385 -1.445 1.00 0.00 C ATOM 0 H ALA B 81 3.662 -3.313 -0.111 1.00 0.00 H new ATOM 0 HA ALA B 81 3.271 -3.038 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.023 -0.645 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.231 -1.689 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.808 -0.950 -0.660 1.00 0.00 H new ATOM 2753 N MET B 82 6.171 -1.725 -1.883 1.00 0.00 N ATOM 2754 CA MET B 82 7.436 -1.199 -2.367 1.00 0.00 C ATOM 2755 C MET B 82 8.306 -2.292 -2.984 1.00 0.00 C ATOM 2756 O MET B 82 8.972 -2.044 -3.987 1.00 0.00 O ATOM 2757 CB MET B 82 8.138 -0.459 -1.225 1.00 0.00 C ATOM 2758 CG MET B 82 9.476 0.153 -1.653 1.00 0.00 C ATOM 2759 SD MET B 82 9.928 1.712 -0.848 1.00 0.00 S ATOM 2760 CE MET B 82 9.917 1.208 0.884 1.00 0.00 C ATOM 0 H MET B 82 6.078 -1.688 -0.868 1.00 0.00 H new ATOM 0 HA MET B 82 7.248 -0.489 -3.173 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.485 0.330 -0.853 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.307 -1.150 -0.399 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.264 -0.575 -1.460 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.450 0.317 -2.730 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.245 2.040 1.507 1.00 0.00 H new ATOM 0 HE2 MET B 82 8.907 0.916 1.172 1.00 0.00 H new ATOM 0 HE3 MET B 82 10.592 0.363 1.021 1.00 0.00 H new ATOM 2770 N ILE B 83 8.328 -3.492 -2.398 1.00 0.00 N ATOM 2771 CA ILE B 83 9.133 -4.576 -2.934 1.00 0.00 C ATOM 2772 C ILE B 83 8.616 -4.946 -4.325 1.00 0.00 C ATOM 2773 O ILE B 83 9.433 -4.999 -5.247 1.00 0.00 O ATOM 2774 CB ILE B 83 9.241 -5.784 -1.983 1.00 0.00 C ATOM 2775 CG1 ILE B 83 9.932 -5.427 -0.655 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.077 -6.891 -2.654 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.614 -6.468 0.426 1.00 0.00 C ATOM 0 H ILE B 83 7.799 -3.730 -1.559 1.00 0.00 H new ATOM 0 HA ILE B 83 10.161 -4.226 -3.030 1.00 0.00 H new ATOM 0 HB ILE B 83 8.223 -6.113 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.010 -5.371 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.605 -4.442 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.154 -7.746 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.594 -7.200 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.075 -6.511 -2.874 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.114 -6.193 1.355 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.537 -6.504 0.591 1.00 0.00 H new ATOM 0 HD13 ILE B 83 9.964 -7.448 0.102 1.00 0.00 H new ATOM 2789 N TYR B 84 7.307 -5.209 -4.507 1.00 0.00 N ATOM 2790 CA TYR B 84 6.841 -5.564 -5.852 1.00 0.00 C ATOM 2791 C TYR B 84 6.756 -4.365 -6.800 1.00 0.00 C ATOM 2792 O TYR B 84 7.165 -4.474 -7.956 1.00 0.00 O ATOM 2793 CB TYR B 84 5.719 -6.617 -5.932 1.00 0.00 C ATOM 2794 CG TYR B 84 4.371 -6.437 -5.258 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.630 -5.251 -5.412 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.702 -7.607 -4.842 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.253 -5.228 -5.124 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.338 -7.582 -4.523 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.601 -6.398 -4.693 1.00 0.00 C ATOM 2800 OH TYR B 84 0.253 -6.403 -4.492 1.00 0.00 O ATOM 0 H TYR B 84 6.591 -5.184 -3.781 1.00 0.00 H new ATOM 0 HA TYR B 84 7.650 -6.157 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.517 -6.775 -6.991 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.138 -7.546 -5.545 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.122 -4.352 -5.754 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.249 -8.535 -4.768 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.695 -4.310 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.854 -8.471 -4.147 1.00 0.00 H new ATOM 0 HH TYR B 84 -0.161 -5.700 -5.035 1.00 0.00 H new ATOM 2810 N ASN B 85 6.334 -3.189 -6.326 1.00 0.00 N ATOM 2811 CA ASN B 85 6.454 -1.955 -7.105 1.00 0.00 C ATOM 2812 C ASN B 85 7.887 -1.455 -6.957 1.00 0.00 C ATOM 2813 O ASN B 85 8.119 -0.353 -6.461 1.00 0.00 O ATOM 2814 CB ASN B 85 5.465 -0.863 -6.669 1.00 0.00 C ATOM 2815 CG ASN B 85 4.009 -1.252 -6.869 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.428 -1.015 -7.922 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.399 -1.830 -5.842 1.00 0.00 N ATOM 0 H ASN B 85 5.907 -3.067 -5.408 1.00 0.00 H new ATOM 0 HA ASN B 85 6.210 -2.178 -8.144 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.630 -0.633 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.670 0.048 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.416 -2.092 -5.914 1.00 0.00 H new ATOM 0 HD22 ASN B 85 3.913 -2.013 -4.980 1.00 0.00 H new ATOM 2824 N GLU B 86 8.847 -2.264 -7.415 1.00 0.00 N ATOM 2825 CA GLU B 86 10.275 -2.006 -7.287 1.00 0.00 C ATOM 2826 C GLU B 86 10.670 -0.617 -7.802 1.00 0.00 C ATOM 2827 O GLU B 86 11.645 -0.038 -7.323 1.00 0.00 O ATOM 2828 CB GLU B 86 11.082 -3.165 -7.890 1.00 0.00 C ATOM 2829 CG GLU B 86 10.703 -3.530 -9.333 1.00 0.00 C ATOM 2830 CD GLU B 86 11.353 -4.849 -9.742 1.00 0.00 C ATOM 2831 OE1 GLU B 86 10.881 -5.894 -9.237 1.00 0.00 O ATOM 2832 OE2 GLU B 86 12.315 -4.790 -10.538 1.00 0.00 O ATOM 0 H GLU B 86 8.641 -3.139 -7.897 1.00 0.00 H new ATOM 0 HA GLU B 86 10.531 -1.972 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU B 86 12.140 -2.906 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU B 86 10.952 -4.046 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU B 86 9.619 -3.610 -9.421 1.00 0.00 H new ATOM 0 HG3 GLU B 86 11.020 -2.737 -10.010 1.00 0.00 H new ATOM 2839 N ALA B 87 9.871 -0.062 -8.718 1.00 0.00 N ATOM 2840 CA ALA B 87 9.917 1.332 -9.137 1.00 0.00 C ATOM 2841 C ALA B 87 10.191 2.275 -7.956 1.00 0.00 C ATOM 2842 O ALA B 87 11.034 3.159 -8.055 1.00 0.00 O ATOM 2843 CB ALA B 87 8.571 1.680 -9.784 1.00 0.00 C ATOM 0 H ALA B 87 9.149 -0.596 -9.203 1.00 0.00 H new ATOM 0 HA ALA B 87 10.734 1.462 -9.847 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.581 2.721 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.404 1.034 -10.646 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.770 1.532 -9.060 1.00 0.00 H new ATOM 2849 N LEU B 88 9.481 2.084 -6.838 1.00 0.00 N ATOM 2850 CA LEU B 88 9.595 2.915 -5.644 1.00 0.00 C ATOM 2851 C LEU B 88 10.954 2.784 -4.950 1.00 0.00 C ATOM 2852 O LEU B 88 11.352 3.691 -4.223 1.00 0.00 O ATOM 2853 CB LEU B 88 8.479 2.552 -4.656 1.00 0.00 C ATOM 2854 CG LEU B 88 7.082 2.965 -5.138 1.00 0.00 C ATOM 2855 CD1 LEU B 88 6.041 2.317 -4.227 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.887 4.482 -5.067 1.00 0.00 C ATOM 0 H LEU B 88 8.799 1.332 -6.741 1.00 0.00 H new ATOM 0 HA LEU B 88 9.500 3.951 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.492 1.476 -4.483 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.681 3.031 -3.698 1.00 0.00 H new ATOM 0 HG LEU B 88 6.972 2.643 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU B 88 5.042 2.601 -4.557 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.143 1.233 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.194 2.654 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.886 4.737 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU B 88 7.008 4.817 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.628 4.974 -5.698 1.00 0.00 H new