USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=29 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: B 30 SER OG : rot 23:sc= 0.992 USER MOD Set 1.2: B 63 ASN : amide:sc= 0.168 K(o=1.2,f=-0.11) USER MOD Set 2.1: A 82 MET CE :methyl -165:sc= 0 (180deg=-0.0665) USER MOD Set 2.2: B 27 HIS : no HE2:sc= -0.0728 K(o=-0.073,f=-1) USER MOD Set 3.1: B 18 LYS NZ :NH3+ 175:sc= 0.511 (180deg=0.496) USER MOD Set 3.2: B 19 TYR OH : rot 9:sc= 1.23 USER MOD Set 4.1: A 71 GLN : amide:sc= -0.015 K(o=1.5,f=-2.9!) USER MOD Set 4.2: B 71 GLN : amide:sc= 0.337 K(o=1.5,f=-2.9) USER MOD Set 4.3: B 75 THR OG1 : rot 71:sc= 1.21 USER MOD Set 5.1: A 18 LYS NZ :NH3+ -123:sc= 0.763 (180deg=-0.24) USER MOD Set 5.2: A 19 TYR OH : rot 30:sc= -0.0103 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 7 GLN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.715 K(o=0.72,f=-3!) USER MOD Single : A 20 SER OG : rot 168:sc= 1.18 USER MOD Single : A 28 THR OG1 : rot -36:sc= 0.00691 USER MOD Single : A 30 SER OG : rot 31:sc= 0.629 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 1.06 (180deg=0.47) 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+ 160:sc= -0.0506 (180deg=-0.368) USER MOD Single : A 57 MET CE :methyl 170:sc= -0.365 (180deg=-0.467) USER MOD Single : A 69 ASN : amide:sc= 0.779 K(o=0.78,f=-4.9!) USER MOD Single : A 73 TYR OH : rot 154:sc= 0.894 USER MOD Single : A 75 THR OG1 : rot 68:sc= 1.15 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.013 USER MOD Single : A 85 ASN : amide:sc= 0.925 K(o=0.93,f=-0.038) USER MOD Single : B 3 SER OG : rot 166:sc= 1.21 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 HIS : no HE2:sc= 0.441 K(o=0.44,f=-2.4!) USER MOD Single : B 20 SER OG : rot -172:sc= 1.38 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 167:sc= 0.695 (180deg=0.439) USER MOD Single : B 39 GLN : amide:sc=-5.58e-05 X(o=-5.6e-05,f=0) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ -137:sc= 0 (180deg=-2.23) USER MOD Single : B 57 MET CE :methyl 160:sc= -0.0902 (180deg=-0.739) USER MOD Single : B 69 ASN : amide:sc= 1.37 K(o=1.4,f=-3.3!) USER MOD Single : B 73 TYR OH : rot 161:sc= 0.961 USER MOD Single : B 82 MET CE :methyl -169:sc= -0.0137 (180deg=-0.192) USER MOD Single : B 84 TYR OH : rot 38:sc= 1.23 USER MOD Single : B 85 ASN : amide:sc= 0.825 K(o=0.83,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.143 -6.449 -9.082 1.00 0.00 N ATOM 21 CA ALA A 2 -6.151 -5.341 -8.138 1.00 0.00 C ATOM 22 C ALA A 2 -7.276 -5.493 -7.111 1.00 0.00 C ATOM 23 O ALA A 2 -8.228 -4.708 -7.104 1.00 0.00 O ATOM 24 CB ALA A 2 -6.221 -4.006 -8.883 1.00 0.00 C ATOM 0 HA ALA A 2 -5.216 -5.355 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.226 -3.187 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.355 -3.908 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.132 -3.970 -9.480 1.00 0.00 H new ATOM 30 N SER A 3 -7.149 -6.492 -6.230 1.00 0.00 N ATOM 31 CA SER A 3 -8.031 -6.687 -5.087 1.00 0.00 C ATOM 32 C SER A 3 -8.122 -5.398 -4.260 1.00 0.00 C ATOM 33 O SER A 3 -7.191 -4.596 -4.323 1.00 0.00 O ATOM 34 CB SER A 3 -7.466 -7.813 -4.214 1.00 0.00 C ATOM 35 OG SER A 3 -6.894 -8.836 -5.002 1.00 0.00 O ATOM 0 H SER A 3 -6.415 -7.197 -6.298 1.00 0.00 H new ATOM 0 HA SER A 3 -9.029 -6.948 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.713 -7.408 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.261 -8.229 -3.595 1.00 0.00 H new ATOM 0 HG SER A 3 -6.540 -9.539 -4.418 1.00 0.00 H new ATOM 41 N PRO A 4 -9.180 -5.199 -3.453 1.00 0.00 N ATOM 42 CA PRO A 4 -9.371 -4.005 -2.636 1.00 0.00 C ATOM 43 C PRO A 4 -8.086 -3.492 -1.981 1.00 0.00 C ATOM 44 O PRO A 4 -7.737 -2.325 -2.145 1.00 0.00 O ATOM 45 CB PRO A 4 -10.451 -4.380 -1.619 1.00 0.00 C ATOM 46 CG PRO A 4 -11.319 -5.348 -2.419 1.00 0.00 C ATOM 47 CD PRO A 4 -10.295 -6.115 -3.257 1.00 0.00 C ATOM 0 HA PRO A 4 -9.678 -3.161 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.029 -4.850 -0.730 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.014 -3.510 -1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.887 -6.013 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.040 -4.821 -3.045 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.971 -7.022 -2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.722 -6.422 -4.212 1.00 0.00 H new ATOM 55 N LEU A 5 -7.356 -4.367 -1.277 1.00 0.00 N ATOM 56 CA LEU A 5 -6.052 -4.021 -0.725 1.00 0.00 C ATOM 57 C LEU A 5 -5.101 -3.476 -1.792 1.00 0.00 C ATOM 58 O LEU A 5 -4.624 -2.355 -1.663 1.00 0.00 O ATOM 59 CB LEU A 5 -5.405 -5.222 -0.016 1.00 0.00 C ATOM 60 CG LEU A 5 -5.482 -5.234 1.514 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.586 -6.378 2.008 1.00 0.00 C ATOM 62 CD2 LEU A 5 -4.973 -3.929 2.148 1.00 0.00 C ATOM 0 H LEU A 5 -7.653 -5.322 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.228 -3.233 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.875 -6.132 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.355 -5.264 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.527 -5.354 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.615 -6.419 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.944 -7.323 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.561 -6.206 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.052 -3.997 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.931 -3.771 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.575 -3.093 1.792 1.00 0.00 H new ATOM 74 N ASP A 6 -4.792 -4.268 -2.824 1.00 0.00 N ATOM 75 CA ASP A 6 -3.824 -3.876 -3.847 1.00 0.00 C ATOM 76 C ASP A 6 -4.218 -2.544 -4.481 1.00 0.00 C ATOM 77 O ASP A 6 -3.372 -1.701 -4.756 1.00 0.00 O ATOM 78 CB ASP A 6 -3.711 -4.944 -4.937 1.00 0.00 C ATOM 79 CG ASP A 6 -2.598 -4.588 -5.918 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.422 -4.736 -5.514 1.00 0.00 O ATOM 81 OD2 ASP A 6 -2.941 -4.169 -7.043 1.00 0.00 O ATOM 0 H ASP A 6 -5.203 -5.190 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.856 -3.769 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.508 -5.915 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.659 -5.032 -5.469 1.00 0.00 H new ATOM 86 N GLN A 7 -5.516 -2.369 -4.716 1.00 0.00 N ATOM 87 CA GLN A 7 -6.085 -1.180 -5.317 1.00 0.00 C ATOM 88 C GLN A 7 -5.879 0.027 -4.396 1.00 0.00 C ATOM 89 O GLN A 7 -5.361 1.058 -4.820 1.00 0.00 O ATOM 90 CB GLN A 7 -7.565 -1.469 -5.596 1.00 0.00 C ATOM 91 CG GLN A 7 -8.126 -0.625 -6.741 1.00 0.00 C ATOM 92 CD GLN A 7 -9.569 -1.012 -7.052 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.445 -0.157 -7.106 1.00 0.00 O ATOM 94 NE2 GLN A 7 -9.840 -2.300 -7.255 1.00 0.00 N ATOM 0 H GLN A 7 -6.215 -3.074 -4.485 1.00 0.00 H new ATOM 0 HA GLN A 7 -5.592 -0.931 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.686 -2.525 -5.836 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.145 -1.279 -4.693 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.078 0.431 -6.476 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.511 -0.758 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.093 -2.992 -7.205 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.795 -2.594 -7.461 1.00 0.00 H new ATOM 103 N ALA A 8 -6.267 -0.108 -3.127 1.00 0.00 N ATOM 104 CA ALA A 8 -6.116 0.925 -2.109 1.00 0.00 C ATOM 105 C ALA A 8 -4.640 1.310 -1.934 1.00 0.00 C ATOM 106 O ALA A 8 -4.280 2.486 -1.921 1.00 0.00 O ATOM 107 CB ALA A 8 -6.720 0.409 -0.809 1.00 0.00 C ATOM 0 H ALA A 8 -6.704 -0.959 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.640 1.830 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.617 1.168 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.776 0.187 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.199 -0.498 -0.501 1.00 0.00 H new ATOM 113 N ILE A 9 -3.773 0.301 -1.832 1.00 0.00 N ATOM 114 CA ILE A 9 -2.329 0.469 -1.853 1.00 0.00 C ATOM 115 C ILE A 9 -1.953 1.294 -3.091 1.00 0.00 C ATOM 116 O ILE A 9 -1.327 2.343 -2.967 1.00 0.00 O ATOM 117 CB ILE A 9 -1.660 -0.920 -1.811 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.814 -1.545 -0.412 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.182 -0.853 -2.206 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.466 -3.037 -0.387 1.00 0.00 C ATOM 0 H ILE A 9 -4.066 -0.671 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.970 1.015 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.166 -1.551 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.171 -1.015 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.840 -1.410 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.252 -1.852 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.094 -0.462 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.350 -0.197 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.593 -3.423 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.126 -3.576 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.431 -3.175 -0.701 1.00 0.00 H new ATOM 132 N GLY A 10 -2.373 0.841 -4.274 1.00 0.00 N ATOM 133 CA GLY A 10 -2.182 1.520 -5.547 1.00 0.00 C ATOM 134 C GLY A 10 -2.551 3.000 -5.468 1.00 0.00 C ATOM 135 O GLY A 10 -1.784 3.851 -5.904 1.00 0.00 O ATOM 0 H GLY A 10 -2.874 -0.042 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.142 1.422 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.790 1.035 -6.311 1.00 0.00 H new ATOM 139 N LEU A 11 -3.715 3.316 -4.898 1.00 0.00 N ATOM 140 CA LEU A 11 -4.145 4.685 -4.648 1.00 0.00 C ATOM 141 C LEU A 11 -3.096 5.450 -3.822 1.00 0.00 C ATOM 142 O LEU A 11 -2.637 6.511 -4.248 1.00 0.00 O ATOM 143 CB LEU A 11 -5.550 4.664 -4.014 1.00 0.00 C ATOM 144 CG LEU A 11 -6.654 4.537 -5.081 1.00 0.00 C ATOM 145 CD1 LEU A 11 -7.807 3.637 -4.617 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.203 5.927 -5.412 1.00 0.00 C ATOM 0 H LEU A 11 -4.392 2.616 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.224 5.236 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.622 3.831 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.703 5.577 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.208 4.079 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.561 3.578 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.426 2.638 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.254 4.055 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.984 5.839 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.618 6.378 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.398 6.555 -5.794 1.00 0.00 H new ATOM 158 N LEU A 12 -2.678 4.919 -2.666 1.00 0.00 N ATOM 159 CA LEU A 12 -1.671 5.580 -1.825 1.00 0.00 C ATOM 160 C LEU A 12 -0.345 5.784 -2.576 1.00 0.00 C ATOM 161 O LEU A 12 0.252 6.864 -2.494 1.00 0.00 O ATOM 162 CB LEU A 12 -1.442 4.816 -0.506 1.00 0.00 C ATOM 163 CG LEU A 12 -2.396 5.256 0.619 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.846 4.879 0.329 1.00 0.00 C ATOM 165 CD2 LEU A 12 -1.992 4.625 1.951 1.00 0.00 C ATOM 0 H LEU A 12 -3.021 4.034 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.066 6.565 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.568 3.748 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.412 4.965 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.320 6.342 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.480 5.211 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.169 5.359 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.926 3.797 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.680 4.950 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.028 3.539 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.979 4.935 2.208 1.00 0.00 H new ATOM 177 N ILE A 13 0.120 4.751 -3.289 1.00 0.00 N ATOM 178 CA ILE A 13 1.311 4.820 -4.138 1.00 0.00 C ATOM 179 C ILE A 13 1.159 5.951 -5.152 1.00 0.00 C ATOM 180 O ILE A 13 2.021 6.820 -5.250 1.00 0.00 O ATOM 181 CB ILE A 13 1.561 3.481 -4.864 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.884 2.361 -3.863 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.704 3.611 -5.889 1.00 0.00 C ATOM 184 CD1 ILE A 13 2.024 1.012 -4.571 1.00 0.00 C ATOM 0 H ILE A 13 -0.327 3.834 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 13 2.173 5.019 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 13 0.644 3.222 -5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.809 2.596 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.096 2.301 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.858 2.653 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.444 4.366 -6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.620 3.906 -5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.253 0.238 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.090 0.768 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.829 1.067 -5.303 1.00 0.00 H new ATOM 196 N GLY A 14 0.077 5.916 -5.931 1.00 0.00 N ATOM 197 CA GLY A 14 -0.199 6.885 -6.974 1.00 0.00 C ATOM 198 C GLY A 14 -0.122 8.292 -6.401 1.00 0.00 C ATOM 199 O GLY A 14 0.607 9.136 -6.915 1.00 0.00 O ATOM 0 H GLY A 14 -0.641 5.197 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.519 6.773 -7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.188 6.708 -7.396 1.00 0.00 H new ATOM 203 N ILE A 15 -0.847 8.528 -5.305 1.00 0.00 N ATOM 204 CA ILE A 15 -0.853 9.821 -4.639 1.00 0.00 C ATOM 205 C ILE A 15 0.567 10.231 -4.245 1.00 0.00 C ATOM 206 O ILE A 15 0.967 11.360 -4.523 1.00 0.00 O ATOM 207 CB ILE A 15 -1.825 9.800 -3.449 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.272 9.644 -3.966 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.646 11.074 -2.611 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.975 10.970 -4.268 1.00 0.00 C ATOM 0 H ILE A 15 -1.442 7.828 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.214 10.584 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.610 8.949 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.259 9.038 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.854 9.097 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.337 11.055 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.622 11.125 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.851 11.948 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.986 10.773 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.022 11.572 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.418 11.511 -5.033 1.00 0.00 H new ATOM 222 N PHE A 16 1.338 9.325 -3.630 1.00 0.00 N ATOM 223 CA PHE A 16 2.733 9.612 -3.315 1.00 0.00 C ATOM 224 C PHE A 16 3.467 10.077 -4.568 1.00 0.00 C ATOM 225 O PHE A 16 3.992 11.189 -4.618 1.00 0.00 O ATOM 226 CB PHE A 16 3.436 8.378 -2.736 1.00 0.00 C ATOM 227 CG PHE A 16 4.874 8.619 -2.319 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.152 9.435 -1.209 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.936 8.020 -3.025 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.468 9.559 -0.735 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.258 8.174 -2.571 1.00 0.00 C ATOM 232 CZ PHE A 16 7.523 8.923 -1.411 1.00 0.00 C ATOM 0 H PHE A 16 1.019 8.399 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 16 2.752 10.403 -2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.873 8.026 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.414 7.580 -3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.351 9.968 -0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.735 7.442 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.670 10.144 0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.071 7.716 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.534 9.009 -1.041 1.00 0.00 H new ATOM 242 N HIS A 17 3.505 9.213 -5.582 1.00 0.00 N ATOM 243 CA HIS A 17 4.302 9.431 -6.772 1.00 0.00 C ATOM 244 C HIS A 17 3.875 10.708 -7.497 1.00 0.00 C ATOM 245 O HIS A 17 4.731 11.387 -8.063 1.00 0.00 O ATOM 246 CB HIS A 17 4.248 8.196 -7.682 1.00 0.00 C ATOM 247 CG HIS A 17 5.363 8.154 -8.701 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.934 9.238 -9.333 1.00 0.00 N ATOM 249 CD2 HIS A 17 6.047 7.038 -9.106 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.932 8.780 -10.106 1.00 0.00 C ATOM 251 NE2 HIS A 17 7.043 7.446 -9.999 1.00 0.00 N ATOM 0 H HIS A 17 2.978 8.340 -5.594 1.00 0.00 H new ATOM 0 HA HIS A 17 5.341 9.575 -6.477 1.00 0.00 H new ATOM 0 HB2 HIS A 17 4.294 7.298 -7.066 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.290 8.178 -8.201 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.650 10.212 -9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.852 6.023 -8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.560 9.400 -10.729 1.00 0.00 H new ATOM 259 N LYS A 18 2.579 11.041 -7.482 1.00 0.00 N ATOM 260 CA LYS A 18 2.053 12.224 -8.150 1.00 0.00 C ATOM 261 C LYS A 18 2.813 13.487 -7.733 1.00 0.00 C ATOM 262 O LYS A 18 3.051 14.359 -8.565 1.00 0.00 O ATOM 263 CB LYS A 18 0.548 12.349 -7.871 1.00 0.00 C ATOM 264 CG LYS A 18 -0.137 13.279 -8.883 1.00 0.00 C ATOM 265 CD LYS A 18 -1.654 13.360 -8.646 1.00 0.00 C ATOM 266 CE LYS A 18 -2.037 14.167 -7.399 1.00 0.00 C ATOM 267 NZ LYS A 18 -1.579 15.566 -7.486 1.00 0.00 N ATOM 0 H LYS A 18 1.867 10.491 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 18 2.198 12.113 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.086 11.362 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.395 12.732 -6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.296 14.277 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.055 12.920 -9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.126 13.810 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.053 12.350 -8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.119 14.147 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.604 13.698 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.970 15.783 -6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.041 15.701 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.402 16.202 -7.483 1.00 0.00 H new ATOM 281 N TYR A 19 3.195 13.582 -6.455 1.00 0.00 N ATOM 282 CA TYR A 19 4.008 14.684 -5.954 1.00 0.00 C ATOM 283 C TYR A 19 5.472 14.257 -5.912 1.00 0.00 C ATOM 284 O TYR A 19 6.313 14.879 -6.553 1.00 0.00 O ATOM 285 CB TYR A 19 3.494 15.139 -4.582 1.00 0.00 C ATOM 286 CG TYR A 19 2.112 15.767 -4.622 1.00 0.00 C ATOM 287 CD1 TYR A 19 0.969 14.950 -4.596 1.00 0.00 C ATOM 288 CD2 TYR A 19 1.963 17.166 -4.696 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.312 15.524 -4.516 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.678 17.736 -4.703 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.456 16.918 -4.567 1.00 0.00 C ATOM 292 OH TYR A 19 -1.698 17.475 -4.558 1.00 0.00 O ATOM 0 H TYR A 19 2.947 12.895 -5.743 1.00 0.00 H new ATOM 0 HA TYR A 19 3.930 15.540 -6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.474 14.281 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.197 15.858 -4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.075 13.876 -4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.836 17.800 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.183 14.893 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.562 18.804 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.312 16.897 -4.059 1.00 0.00 H new ATOM 302 N SER A 20 5.779 13.190 -5.170 1.00 0.00 N ATOM 303 CA SER A 20 7.141 12.727 -4.915 1.00 0.00 C ATOM 304 C SER A 20 7.950 12.602 -6.211 1.00 0.00 C ATOM 305 O SER A 20 9.133 12.927 -6.230 1.00 0.00 O ATOM 306 CB SER A 20 7.110 11.416 -4.113 1.00 0.00 C ATOM 307 OG SER A 20 8.297 11.274 -3.363 1.00 0.00 O ATOM 0 H SER A 20 5.069 12.612 -4.720 1.00 0.00 H new ATOM 0 HA SER A 20 7.655 13.475 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.247 11.409 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.996 10.570 -4.790 1.00 0.00 H new ATOM 0 HG SER A 20 8.189 10.547 -2.714 1.00 0.00 H new ATOM 415 N THR A 28 11.621 9.739 -2.179 1.00 0.00 N ATOM 416 CA THR A 28 11.564 10.540 -0.976 1.00 0.00 C ATOM 417 C THR A 28 10.990 11.921 -1.304 1.00 0.00 C ATOM 418 O THR A 28 10.997 12.337 -2.462 1.00 0.00 O ATOM 419 CB THR A 28 12.975 10.664 -0.374 1.00 0.00 C ATOM 420 OG1 THR A 28 13.797 11.466 -1.198 1.00 0.00 O ATOM 421 CG2 THR A 28 13.684 9.320 -0.180 1.00 0.00 C ATOM 0 HA THR A 28 10.914 10.061 -0.244 1.00 0.00 H new ATOM 0 HB THR A 28 12.827 11.116 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.573 11.306 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.672 9.488 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.099 8.694 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.786 8.820 -1.143 1.00 0.00 H new ATOM 429 N LEU A 29 10.526 12.636 -0.277 1.00 0.00 N ATOM 430 CA LEU A 29 10.058 14.013 -0.366 1.00 0.00 C ATOM 431 C LEU A 29 10.130 14.630 1.033 1.00 0.00 C ATOM 432 O LEU A 29 10.532 13.936 1.963 1.00 0.00 O ATOM 433 CB LEU A 29 8.662 14.077 -1.012 1.00 0.00 C ATOM 434 CG LEU A 29 7.634 13.038 -0.534 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.498 12.971 0.986 1.00 0.00 C ATOM 436 CD2 LEU A 29 6.262 13.370 -1.128 1.00 0.00 C ATOM 0 H LEU A 29 10.465 12.257 0.668 1.00 0.00 H new ATOM 0 HA LEU A 29 10.695 14.605 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.250 15.070 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.780 13.968 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 29 7.996 12.067 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.756 12.218 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.459 12.705 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.181 13.942 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.532 12.635 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.955 14.363 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.322 13.349 -2.216 1.00 0.00 H new ATOM 448 N SER A 30 9.798 15.915 1.213 1.00 0.00 N ATOM 449 CA SER A 30 9.944 16.583 2.505 1.00 0.00 C ATOM 450 C SER A 30 8.758 17.501 2.822 1.00 0.00 C ATOM 451 O SER A 30 7.729 17.484 2.144 1.00 0.00 O ATOM 452 CB SER A 30 11.285 17.337 2.549 1.00 0.00 C ATOM 453 OG SER A 30 11.612 17.726 3.874 1.00 0.00 O ATOM 0 H SER A 30 9.425 16.512 0.474 1.00 0.00 H new ATOM 0 HA SER A 30 9.947 15.822 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.075 16.702 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.230 18.219 1.911 1.00 0.00 H new ATOM 0 HG SER A 30 11.246 17.073 4.506 1.00 0.00 H new ATOM 459 N LYS A 31 8.936 18.301 3.876 1.00 0.00 N ATOM 460 CA LYS A 31 7.932 19.119 4.542 1.00 0.00 C ATOM 461 C LYS A 31 6.982 19.825 3.579 1.00 0.00 C ATOM 462 O LYS A 31 5.765 19.688 3.693 1.00 0.00 O ATOM 463 CB LYS A 31 8.589 20.094 5.536 1.00 0.00 C ATOM 464 CG LYS A 31 9.841 20.827 5.032 1.00 0.00 C ATOM 465 CD LYS A 31 10.424 21.679 6.166 1.00 0.00 C ATOM 466 CE LYS A 31 11.678 22.417 5.688 1.00 0.00 C ATOM 467 NZ LYS A 31 12.301 23.184 6.780 1.00 0.00 N ATOM 0 H LYS A 31 9.852 18.398 4.314 1.00 0.00 H new ATOM 0 HA LYS A 31 7.300 18.435 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.848 20.839 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.854 19.540 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.582 20.107 4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.588 21.459 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.680 22.398 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.670 21.044 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.395 21.699 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.416 23.090 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.147 23.672 6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.624 23.886 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.572 22.537 7.548 1.00 0.00 H new ATOM 481 N LYS A 32 7.536 20.574 2.625 1.00 0.00 N ATOM 482 CA LYS A 32 6.760 21.299 1.638 1.00 0.00 C ATOM 483 C LYS A 32 5.792 20.353 0.926 1.00 0.00 C ATOM 484 O LYS A 32 4.592 20.616 0.867 1.00 0.00 O ATOM 485 CB LYS A 32 7.743 21.967 0.672 1.00 0.00 C ATOM 486 CG LYS A 32 7.041 22.874 -0.342 1.00 0.00 C ATOM 487 CD LYS A 32 8.074 23.690 -1.127 1.00 0.00 C ATOM 488 CE LYS A 32 8.889 22.824 -2.095 1.00 0.00 C ATOM 489 NZ LYS A 32 9.770 23.647 -2.942 1.00 0.00 N ATOM 0 H LYS A 32 8.544 20.691 2.521 1.00 0.00 H new ATOM 0 HA LYS A 32 6.146 22.069 2.107 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.465 22.553 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.304 21.199 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.445 22.272 -1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.353 23.544 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.564 24.474 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.750 24.184 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.488 22.110 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.213 22.245 -2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.307 23.031 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.195 24.311 -3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.430 24.180 -2.341 1.00 0.00 H new ATOM 503 N GLU A 33 6.314 19.239 0.405 1.00 0.00 N ATOM 504 CA GLU A 33 5.509 18.277 -0.323 1.00 0.00 C ATOM 505 C GLU A 33 4.482 17.643 0.609 1.00 0.00 C ATOM 506 O GLU A 33 3.344 17.451 0.206 1.00 0.00 O ATOM 507 CB GLU A 33 6.372 17.191 -0.972 1.00 0.00 C ATOM 508 CG GLU A 33 7.313 17.715 -2.067 1.00 0.00 C ATOM 509 CD GLU A 33 8.514 18.474 -1.515 1.00 0.00 C ATOM 510 OE1 GLU A 33 9.200 17.892 -0.646 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.714 19.626 -1.954 1.00 0.00 O ATOM 0 H GLU A 33 7.300 18.987 0.480 1.00 0.00 H new ATOM 0 HA GLU A 33 4.994 18.811 -1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.966 16.703 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.720 16.430 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.666 16.875 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.753 18.370 -2.735 1.00 0.00 H new ATOM 518 N LEU A 34 4.865 17.298 1.839 1.00 0.00 N ATOM 519 CA LEU A 34 3.948 16.680 2.794 1.00 0.00 C ATOM 520 C LEU A 34 2.779 17.607 3.130 1.00 0.00 C ATOM 521 O LEU A 34 1.624 17.178 3.119 1.00 0.00 O ATOM 522 CB LEU A 34 4.705 16.282 4.059 1.00 0.00 C ATOM 523 CG LEU A 34 5.673 15.117 3.810 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.694 15.097 4.944 1.00 0.00 C ATOM 525 CD2 LEU A 34 4.943 13.769 3.744 1.00 0.00 C ATOM 0 H LEU A 34 5.810 17.438 2.197 1.00 0.00 H new ATOM 0 HA LEU A 34 3.530 15.785 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.261 17.141 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.992 16.001 4.834 1.00 0.00 H new ATOM 0 HG LEU A 34 6.161 15.265 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.394 14.276 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.239 16.041 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.179 14.960 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.665 12.972 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.427 13.588 4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.217 13.788 2.931 1.00 0.00 H new ATOM 537 N LYS A 35 3.064 18.876 3.431 1.00 0.00 N ATOM 538 CA LYS A 35 2.024 19.860 3.690 1.00 0.00 C ATOM 539 C LYS A 35 1.150 20.026 2.444 1.00 0.00 C ATOM 540 O LYS A 35 -0.071 19.929 2.539 1.00 0.00 O ATOM 541 CB LYS A 35 2.633 21.181 4.176 1.00 0.00 C ATOM 542 CG LYS A 35 3.179 21.004 5.601 1.00 0.00 C ATOM 543 CD LYS A 35 3.997 22.208 6.085 1.00 0.00 C ATOM 544 CE LYS A 35 3.179 23.501 6.197 1.00 0.00 C ATOM 545 NZ LYS A 35 2.002 23.330 7.068 1.00 0.00 N ATOM 0 H LYS A 35 4.013 19.242 3.500 1.00 0.00 H new ATOM 0 HA LYS A 35 1.378 19.510 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.434 21.492 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.879 21.968 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.346 20.839 6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.802 20.111 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.429 21.976 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.828 22.372 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.810 24.298 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.854 23.813 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.734 24.249 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.209 22.954 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.231 22.666 7.835 1.00 0.00 H new ATOM 559 N GLU A 36 1.776 20.233 1.279 1.00 0.00 N ATOM 560 CA GLU A 36 1.099 20.321 -0.011 1.00 0.00 C ATOM 561 C GLU A 36 0.125 19.146 -0.191 1.00 0.00 C ATOM 562 O GLU A 36 -1.065 19.354 -0.435 1.00 0.00 O ATOM 563 CB GLU A 36 2.170 20.366 -1.112 1.00 0.00 C ATOM 564 CG GLU A 36 1.612 20.698 -2.497 1.00 0.00 C ATOM 565 CD GLU A 36 2.664 20.609 -3.601 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.820 20.247 -3.288 1.00 0.00 O ATOM 567 OE2 GLU A 36 2.285 20.901 -4.755 1.00 0.00 O ATOM 0 H GLU A 36 2.787 20.346 1.210 1.00 0.00 H new ATOM 0 HA GLU A 36 0.498 21.228 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.922 21.108 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.675 19.401 -1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.794 20.015 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.193 21.704 -2.482 1.00 0.00 H new ATOM 574 N LEU A 37 0.649 17.924 -0.050 1.00 0.00 N ATOM 575 CA LEU A 37 -0.088 16.671 -0.066 1.00 0.00 C ATOM 576 C LEU A 37 -1.292 16.790 0.865 1.00 0.00 C ATOM 577 O LEU A 37 -2.409 16.922 0.370 1.00 0.00 O ATOM 578 CB LEU A 37 0.826 15.492 0.337 1.00 0.00 C ATOM 579 CG LEU A 37 1.649 14.891 -0.814 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.887 14.168 -0.271 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.836 13.847 -1.584 1.00 0.00 C ATOM 0 H LEU A 37 1.650 17.783 0.085 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.443 16.468 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.510 15.830 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.210 14.706 0.773 1.00 0.00 H new ATOM 0 HG LEU A 37 1.930 15.719 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.457 13.749 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.510 14.875 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.576 13.365 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.442 13.438 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.542 13.044 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.056 14.315 -2.000 1.00 0.00 H new ATOM 593 N ILE A 38 -1.083 16.738 2.189 1.00 0.00 N ATOM 594 CA ILE A 38 -2.188 16.624 3.140 1.00 0.00 C ATOM 595 C ILE A 38 -3.209 17.747 2.942 1.00 0.00 C ATOM 596 O ILE A 38 -4.406 17.474 2.859 1.00 0.00 O ATOM 597 CB ILE A 38 -1.711 16.451 4.596 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.887 16.034 5.497 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.040 17.714 5.147 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.453 15.739 6.935 1.00 0.00 C ATOM 0 H ILE A 38 -0.159 16.773 2.620 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.716 15.696 2.922 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.958 15.663 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.634 16.828 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.365 15.149 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.723 17.539 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.171 17.960 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.748 18.542 5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.322 15.450 7.525 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.727 14.926 6.936 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.000 16.631 7.369 1.00 0.00 H new ATOM 612 N GLN A 39 -2.735 18.992 2.823 1.00 0.00 N ATOM 613 CA GLN A 39 -3.582 20.167 2.680 1.00 0.00 C ATOM 614 C GLN A 39 -4.589 19.993 1.542 1.00 0.00 C ATOM 615 O GLN A 39 -5.766 20.290 1.718 1.00 0.00 O ATOM 616 CB GLN A 39 -2.703 21.407 2.464 1.00 0.00 C ATOM 617 CG GLN A 39 -3.518 22.704 2.402 1.00 0.00 C ATOM 618 CD GLN A 39 -2.608 23.915 2.234 1.00 0.00 C ATOM 619 OE1 GLN A 39 -2.599 24.556 1.189 1.00 0.00 O ATOM 620 NE2 GLN A 39 -1.826 24.241 3.260 1.00 0.00 N ATOM 0 H GLN A 39 -1.738 19.208 2.824 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.159 20.299 3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.976 21.478 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.140 21.292 1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.222 22.656 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.107 22.811 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.854 23.690 4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.199 25.042 3.189 1.00 0.00 H new ATOM 629 N LYS A 40 -4.130 19.545 0.372 1.00 0.00 N ATOM 630 CA LYS A 40 -5.014 19.369 -0.771 1.00 0.00 C ATOM 631 C LYS A 40 -5.756 18.050 -0.640 1.00 0.00 C ATOM 632 O LYS A 40 -6.983 18.002 -0.573 1.00 0.00 O ATOM 633 CB LYS A 40 -4.207 19.379 -2.066 1.00 0.00 C ATOM 634 CG LYS A 40 -3.572 20.751 -2.235 1.00 0.00 C ATOM 635 CD LYS A 40 -2.648 20.728 -3.447 1.00 0.00 C ATOM 636 CE LYS A 40 -1.620 21.819 -3.207 1.00 0.00 C ATOM 637 NZ LYS A 40 -0.733 22.001 -4.371 1.00 0.00 N ATOM 0 H LYS A 40 -3.156 19.300 0.196 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.731 20.189 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.438 18.608 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.852 19.154 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.344 21.509 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.011 21.018 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.168 19.755 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.205 20.911 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.130 22.757 -2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.023 21.569 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.045 22.754 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.227 21.113 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.300 22.264 -5.202 1.00 0.00 H new ATOM 651 N GLU A 41 -4.979 16.968 -0.644 1.00 0.00 N ATOM 652 CA GLU A 41 -5.510 15.617 -0.751 1.00 0.00 C ATOM 653 C GLU A 41 -6.540 15.319 0.346 1.00 0.00 C ATOM 654 O GLU A 41 -7.525 14.630 0.090 1.00 0.00 O ATOM 655 CB GLU A 41 -4.359 14.608 -0.797 1.00 0.00 C ATOM 656 CG GLU A 41 -3.830 14.289 0.609 1.00 0.00 C ATOM 657 CD GLU A 41 -2.415 13.723 0.629 1.00 0.00 C ATOM 658 OE1 GLU A 41 -1.885 13.471 -0.472 1.00 0.00 O ATOM 659 OE2 GLU A 41 -1.897 13.531 1.750 1.00 0.00 O ATOM 0 H GLU A 41 -3.962 17.007 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.060 15.524 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.699 13.689 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.550 15.006 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.854 15.198 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.502 13.575 1.085 1.00 0.00 H new ATOM 666 N LEU A 42 -6.319 15.847 1.553 1.00 0.00 N ATOM 667 CA LEU A 42 -7.266 15.827 2.653 1.00 0.00 C ATOM 668 C LEU A 42 -7.585 17.273 3.018 1.00 0.00 C ATOM 669 O LEU A 42 -7.363 17.702 4.147 1.00 0.00 O ATOM 670 CB LEU A 42 -6.707 15.024 3.839 1.00 0.00 C ATOM 671 CG LEU A 42 -6.530 13.519 3.564 1.00 0.00 C ATOM 672 CD1 LEU A 42 -5.952 12.864 4.819 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.839 12.811 3.194 1.00 0.00 C ATOM 0 H LEU A 42 -5.444 16.314 1.791 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.189 15.324 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.742 15.444 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.374 15.149 4.692 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.863 13.421 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.819 11.796 4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.988 13.316 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.636 13.012 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.643 11.754 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.552 12.913 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.254 13.262 2.293 1.00 0.00 H new ATOM 794 N ASP A 50 -7.996 16.924 15.789 1.00 0.00 N ATOM 795 CA ASP A 50 -6.657 17.498 15.854 1.00 0.00 C ATOM 796 C ASP A 50 -5.673 16.922 14.837 1.00 0.00 C ATOM 797 O ASP A 50 -4.856 17.673 14.313 1.00 0.00 O ATOM 798 CB ASP A 50 -6.083 17.325 17.266 1.00 0.00 C ATOM 799 CG ASP A 50 -6.980 17.922 18.346 1.00 0.00 C ATOM 800 OD1 ASP A 50 -8.084 17.363 18.529 1.00 0.00 O ATOM 801 OD2 ASP A 50 -6.552 18.925 18.957 1.00 0.00 O ATOM 0 HA ASP A 50 -6.776 18.552 15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.938 16.264 17.467 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.101 17.796 17.314 1.00 0.00 H new ATOM 806 N ALA A 51 -5.716 15.609 14.593 1.00 0.00 N ATOM 807 CA ALA A 51 -4.790 14.867 13.739 1.00 0.00 C ATOM 808 C ALA A 51 -4.204 15.691 12.587 1.00 0.00 C ATOM 809 O ALA A 51 -2.989 15.860 12.494 1.00 0.00 O ATOM 810 CB ALA A 51 -5.512 13.639 13.183 1.00 0.00 C ATOM 0 H ALA A 51 -6.431 15.009 15.005 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.942 14.583 14.362 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.832 13.076 12.544 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.842 13.007 14.007 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.377 13.958 12.601 1.00 0.00 H new ATOM 816 N GLU A 52 -5.071 16.198 11.705 1.00 0.00 N ATOM 817 CA GLU A 52 -4.655 16.920 10.510 1.00 0.00 C ATOM 818 C GLU A 52 -3.949 18.231 10.874 1.00 0.00 C ATOM 819 O GLU A 52 -2.932 18.589 10.277 1.00 0.00 O ATOM 820 CB GLU A 52 -5.889 17.154 9.627 1.00 0.00 C ATOM 821 CG GLU A 52 -5.543 17.832 8.294 1.00 0.00 C ATOM 822 CD GLU A 52 -6.773 17.932 7.396 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.260 16.852 6.999 1.00 0.00 O ATOM 824 OE2 GLU A 52 -7.213 19.076 7.153 1.00 0.00 O ATOM 0 H GLU A 52 -6.083 16.116 11.805 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.929 16.328 9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.375 16.199 9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.606 17.771 10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.143 18.829 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.762 17.266 7.786 1.00 0.00 H new ATOM 831 N ILE A 53 -4.503 18.948 11.856 1.00 0.00 N ATOM 832 CA ILE A 53 -3.985 20.225 12.318 1.00 0.00 C ATOM 833 C ILE A 53 -2.563 19.973 12.815 1.00 0.00 C ATOM 834 O ILE A 53 -1.612 20.626 12.392 1.00 0.00 O ATOM 835 CB ILE A 53 -4.855 20.816 13.452 1.00 0.00 C ATOM 836 CG1 ILE A 53 -6.335 21.064 13.106 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.261 22.162 13.896 1.00 0.00 C ATOM 838 CD1 ILE A 53 -7.150 19.822 12.738 1.00 0.00 C ATOM 0 H ILE A 53 -5.339 18.646 12.357 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.998 20.951 11.505 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.841 20.054 14.231 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.811 21.549 13.958 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.381 21.766 12.273 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.871 22.583 14.695 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.244 22.009 14.257 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.246 22.850 13.051 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.176 20.113 12.514 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.709 19.343 11.864 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.146 19.123 13.575 1.00 0.00 H new ATOM 850 N VAL A 54 -2.433 18.996 13.714 1.00 0.00 N ATOM 851 CA VAL A 54 -1.160 18.589 14.275 1.00 0.00 C ATOM 852 C VAL A 54 -0.202 18.259 13.140 1.00 0.00 C ATOM 853 O VAL A 54 0.862 18.861 13.077 1.00 0.00 O ATOM 854 CB VAL A 54 -1.357 17.432 15.267 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.018 16.842 15.731 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.110 17.966 16.490 1.00 0.00 C ATOM 0 H VAL A 54 -3.225 18.463 14.073 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.716 19.402 14.850 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.917 16.643 14.766 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.203 16.027 16.431 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.531 16.463 14.869 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.570 17.617 16.223 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.260 17.158 17.206 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.529 18.762 16.956 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.078 18.359 16.178 1.00 0.00 H new ATOM 866 N LYS A 55 -0.576 17.351 12.234 1.00 0.00 N ATOM 867 CA LYS A 55 0.258 16.982 11.097 1.00 0.00 C ATOM 868 C LYS A 55 0.812 18.211 10.380 1.00 0.00 C ATOM 869 O LYS A 55 2.027 18.316 10.212 1.00 0.00 O ATOM 870 CB LYS A 55 -0.507 16.074 10.121 1.00 0.00 C ATOM 871 CG LYS A 55 -0.034 14.624 10.241 1.00 0.00 C ATOM 872 CD LYS A 55 -0.363 14.013 11.609 1.00 0.00 C ATOM 873 CE LYS A 55 0.356 12.673 11.772 1.00 0.00 C ATOM 874 NZ LYS A 55 1.819 12.830 11.850 1.00 0.00 N ATOM 0 H LYS A 55 -1.466 16.854 12.272 1.00 0.00 H new ATOM 0 HA LYS A 55 1.107 16.421 11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.576 16.130 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.360 16.425 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.500 14.027 9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.043 14.581 10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.061 14.696 12.403 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.440 13.871 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.003 12.178 12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.107 12.025 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.236 11.984 12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.207 12.951 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.048 13.666 12.425 1.00 0.00 H new ATOM 888 N LEU A 56 -0.064 19.131 9.966 1.00 0.00 N ATOM 889 CA LEU A 56 0.342 20.317 9.219 1.00 0.00 C ATOM 890 C LEU A 56 1.478 21.075 9.919 1.00 0.00 C ATOM 891 O LEU A 56 2.402 21.541 9.254 1.00 0.00 O ATOM 892 CB LEU A 56 -0.872 21.228 8.977 1.00 0.00 C ATOM 893 CG LEU A 56 -1.784 20.722 7.846 1.00 0.00 C ATOM 894 CD1 LEU A 56 -3.172 21.361 7.977 1.00 0.00 C ATOM 895 CD2 LEU A 56 -1.203 21.076 6.470 1.00 0.00 C ATOM 0 H LEU A 56 -1.067 19.072 10.140 1.00 0.00 H new ATOM 0 HA LEU A 56 0.732 19.991 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.451 21.305 9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.524 22.232 8.735 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.858 19.638 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.816 21.001 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.607 21.092 8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.081 22.445 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.867 20.707 5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.107 22.158 6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.222 20.615 6.360 1.00 0.00 H new ATOM 907 N MET A 57 1.413 21.202 11.246 1.00 0.00 N ATOM 908 CA MET A 57 2.437 21.873 12.038 1.00 0.00 C ATOM 909 C MET A 57 3.621 20.931 12.288 1.00 0.00 C ATOM 910 O MET A 57 4.727 21.177 11.808 1.00 0.00 O ATOM 911 CB MET A 57 1.805 22.410 13.337 1.00 0.00 C ATOM 912 CG MET A 57 1.502 23.917 13.261 1.00 0.00 C ATOM 913 SD MET A 57 0.761 24.609 11.750 1.00 0.00 S ATOM 914 CE MET A 57 -0.828 23.762 11.685 1.00 0.00 C ATOM 0 H MET A 57 0.640 20.838 11.803 1.00 0.00 H new ATOM 0 HA MET A 57 2.838 22.728 11.493 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.883 21.866 13.541 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.479 22.219 14.172 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.837 24.158 14.090 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.438 24.447 13.438 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.452 24.218 10.916 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.670 22.710 11.447 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.324 23.845 12.652 1.00 0.00 H new ATOM 924 N ASP A 58 3.374 19.851 13.038 1.00 0.00 N ATOM 925 CA ASP A 58 4.317 18.800 13.419 1.00 0.00 C ATOM 926 C ASP A 58 5.285 18.460 12.291 1.00 0.00 C ATOM 927 O ASP A 58 6.482 18.302 12.527 1.00 0.00 O ATOM 928 CB ASP A 58 3.535 17.544 13.827 1.00 0.00 C ATOM 929 CG ASP A 58 4.448 16.350 14.079 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.303 16.465 14.983 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.270 15.339 13.362 1.00 0.00 O ATOM 0 H ASP A 58 2.444 19.679 13.420 1.00 0.00 H new ATOM 0 HA ASP A 58 4.909 19.168 14.257 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.959 17.754 14.728 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.821 17.293 13.043 1.00 0.00 H new ATOM 936 N ASP A 59 4.756 18.374 11.067 1.00 0.00 N ATOM 937 CA ASP A 59 5.518 18.151 9.852 1.00 0.00 C ATOM 938 C ASP A 59 6.857 18.894 9.854 1.00 0.00 C ATOM 939 O ASP A 59 7.887 18.286 9.562 1.00 0.00 O ATOM 940 CB ASP A 59 4.672 18.604 8.661 1.00 0.00 C ATOM 941 CG ASP A 59 5.461 18.491 7.373 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.577 17.348 6.882 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.952 19.547 6.923 1.00 0.00 O ATOM 0 H ASP A 59 3.754 18.461 10.898 1.00 0.00 H new ATOM 0 HA ASP A 59 5.750 17.088 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.770 17.995 8.596 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.350 19.635 8.808 1.00 0.00 H new ATOM 948 N LEU A 60 6.865 20.191 10.175 1.00 0.00 N ATOM 949 CA LEU A 60 8.094 20.973 10.096 1.00 0.00 C ATOM 950 C LEU A 60 9.185 20.380 10.993 1.00 0.00 C ATOM 951 O LEU A 60 10.339 20.278 10.578 1.00 0.00 O ATOM 952 CB LEU A 60 7.819 22.467 10.348 1.00 0.00 C ATOM 953 CG LEU A 60 7.495 22.852 11.805 1.00 0.00 C ATOM 954 CD1 LEU A 60 8.750 23.307 12.563 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.481 24.003 11.822 1.00 0.00 C ATOM 0 H LEU A 60 6.046 20.712 10.487 1.00 0.00 H new ATOM 0 HA LEU A 60 8.485 20.913 9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.691 23.037 10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.986 22.775 9.716 1.00 0.00 H new ATOM 0 HG LEU A 60 7.088 21.967 12.294 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.482 23.570 13.586 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.480 22.498 12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.180 24.176 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.254 24.273 12.853 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.901 24.866 11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.566 23.689 11.319 1.00 0.00 H new ATOM 967 N ASP A 61 8.811 19.952 12.203 1.00 0.00 N ATOM 968 CA ASP A 61 9.732 19.388 13.180 1.00 0.00 C ATOM 969 C ASP A 61 10.104 17.962 12.783 1.00 0.00 C ATOM 970 O ASP A 61 11.275 17.598 12.799 1.00 0.00 O ATOM 971 CB ASP A 61 9.094 19.420 14.573 1.00 0.00 C ATOM 972 CG ASP A 61 10.021 18.793 15.609 1.00 0.00 C ATOM 973 OD1 ASP A 61 10.954 19.505 16.038 1.00 0.00 O ATOM 974 OD2 ASP A 61 9.780 17.615 15.948 1.00 0.00 O ATOM 0 H ASP A 61 7.846 19.991 12.530 1.00 0.00 H new ATOM 0 HA ASP A 61 10.644 19.984 13.205 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.873 20.450 14.853 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.145 18.884 14.556 1.00 0.00 H new ATOM 979 N ARG A 62 9.095 17.166 12.417 1.00 0.00 N ATOM 980 CA ARG A 62 9.271 15.802 11.938 1.00 0.00 C ATOM 981 C ARG A 62 10.323 15.761 10.829 1.00 0.00 C ATOM 982 O ARG A 62 11.215 14.915 10.840 1.00 0.00 O ATOM 983 CB ARG A 62 7.915 15.277 11.449 1.00 0.00 C ATOM 984 CG ARG A 62 7.974 13.853 10.878 1.00 0.00 C ATOM 985 CD ARG A 62 6.592 13.434 10.363 1.00 0.00 C ATOM 986 NE ARG A 62 5.609 13.406 11.456 1.00 0.00 N ATOM 987 CZ ARG A 62 5.376 12.371 12.277 1.00 0.00 C ATOM 988 NH1 ARG A 62 5.923 11.171 12.056 1.00 0.00 N ATOM 989 NH2 ARG A 62 4.595 12.566 13.343 1.00 0.00 N ATOM 0 H ARG A 62 8.119 17.461 12.448 1.00 0.00 H new ATOM 0 HA ARG A 62 9.628 15.162 12.745 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.207 15.298 12.278 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.529 15.950 10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.702 13.808 10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.310 13.158 11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.262 14.128 9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.655 12.449 9.901 1.00 0.00 H new ATOM 0 HE ARG A 62 5.054 14.249 11.603 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.531 11.029 11.250 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.732 10.398 12.694 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.191 13.486 13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.403 11.795 13.982 1.00 0.00 H new ATOM 1068 N GLU A 67 14.483 14.480 4.102 1.00 0.00 N ATOM 1069 CA GLU A 67 13.555 13.891 3.150 1.00 0.00 C ATOM 1070 C GLU A 67 13.009 12.591 3.746 1.00 0.00 C ATOM 1071 O GLU A 67 13.782 11.676 4.027 1.00 0.00 O ATOM 1072 CB GLU A 67 14.248 13.640 1.805 1.00 0.00 C ATOM 1073 CG GLU A 67 14.852 14.916 1.206 1.00 0.00 C ATOM 1074 CD GLU A 67 15.395 14.657 -0.195 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.526 14.131 -0.277 1.00 0.00 O ATOM 1076 OE2 GLU A 67 14.669 14.991 -1.157 1.00 0.00 O ATOM 0 HA GLU A 67 12.728 14.576 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.035 12.898 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.529 13.219 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.094 15.698 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.653 15.280 1.849 1.00 0.00 H new ATOM 1083 N VAL A 68 11.692 12.500 3.936 1.00 0.00 N ATOM 1084 CA VAL A 68 11.039 11.269 4.347 1.00 0.00 C ATOM 1085 C VAL A 68 10.884 10.378 3.112 1.00 0.00 C ATOM 1086 O VAL A 68 10.679 10.887 2.009 1.00 0.00 O ATOM 1087 CB VAL A 68 9.691 11.564 5.038 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.835 12.604 6.156 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.566 11.975 4.089 1.00 0.00 C ATOM 0 H VAL A 68 11.052 13.283 3.807 1.00 0.00 H new ATOM 0 HA VAL A 68 11.644 10.744 5.086 1.00 0.00 H new ATOM 0 HB VAL A 68 9.398 10.606 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.863 12.782 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.530 12.234 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.215 13.537 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.657 12.162 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.853 12.882 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.384 11.175 3.372 1.00 0.00 H new ATOM 1099 N ASN A 69 10.988 9.056 3.284 1.00 0.00 N ATOM 1100 CA ASN A 69 10.759 8.098 2.208 1.00 0.00 C ATOM 1101 C ASN A 69 9.286 7.706 2.135 1.00 0.00 C ATOM 1102 O ASN A 69 8.484 8.113 2.975 1.00 0.00 O ATOM 1103 CB ASN A 69 11.658 6.860 2.371 1.00 0.00 C ATOM 1104 CG ASN A 69 11.076 5.822 3.331 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.425 6.163 4.312 1.00 0.00 O ATOM 1106 ND2 ASN A 69 11.269 4.538 3.046 1.00 0.00 N ATOM 0 H ASN A 69 11.234 8.624 4.175 1.00 0.00 H new ATOM 0 HA ASN A 69 11.024 8.577 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.812 6.399 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.637 7.174 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.872 3.817 3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.814 4.274 2.225 1.00 0.00 H new ATOM 1113 N PHE A 70 8.957 6.863 1.152 1.00 0.00 N ATOM 1114 CA PHE A 70 7.639 6.261 1.012 1.00 0.00 C ATOM 1115 C PHE A 70 7.073 5.783 2.356 1.00 0.00 C ATOM 1116 O PHE A 70 6.023 6.262 2.771 1.00 0.00 O ATOM 1117 CB PHE A 70 7.689 5.132 -0.023 1.00 0.00 C ATOM 1118 CG PHE A 70 6.361 4.430 -0.234 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.268 5.147 -0.756 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.202 3.077 0.120 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.029 4.511 -0.942 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.968 2.437 -0.079 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.879 3.154 -0.607 1.00 0.00 C ATOM 0 H PHE A 70 9.612 6.579 0.424 1.00 0.00 H new ATOM 0 HA PHE A 70 6.952 7.027 0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.028 5.540 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.431 4.398 0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.382 6.189 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.030 2.530 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.192 5.064 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.855 1.393 0.174 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.929 2.663 -0.755 1.00 0.00 H new ATOM 1133 N GLN A 71 7.746 4.864 3.061 1.00 0.00 N ATOM 1134 CA GLN A 71 7.179 4.321 4.296 1.00 0.00 C ATOM 1135 C GLN A 71 6.950 5.414 5.341 1.00 0.00 C ATOM 1136 O GLN A 71 5.966 5.371 6.072 1.00 0.00 O ATOM 1137 CB GLN A 71 8.028 3.178 4.871 1.00 0.00 C ATOM 1138 CG GLN A 71 7.235 2.364 5.914 1.00 0.00 C ATOM 1139 CD GLN A 71 6.048 1.639 5.285 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.193 1.012 4.241 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.863 1.718 5.881 1.00 0.00 N ATOM 0 H GLN A 71 8.660 4.491 2.804 1.00 0.00 H new ATOM 0 HA GLN A 71 6.208 3.902 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.353 2.521 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.928 3.586 5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.896 1.637 6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.879 3.030 6.700 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.763 2.244 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.054 1.252 5.471 1.00 0.00 H new ATOM 1150 N GLU A 72 7.837 6.403 5.434 1.00 0.00 N ATOM 1151 CA GLU A 72 7.636 7.509 6.353 1.00 0.00 C ATOM 1152 C GLU A 72 6.449 8.383 5.920 1.00 0.00 C ATOM 1153 O GLU A 72 5.676 8.820 6.770 1.00 0.00 O ATOM 1154 CB GLU A 72 8.937 8.290 6.528 1.00 0.00 C ATOM 1155 CG GLU A 72 9.986 7.507 7.335 1.00 0.00 C ATOM 1156 CD GLU A 72 9.551 7.250 8.777 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.078 8.218 9.411 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.692 6.088 9.214 1.00 0.00 O ATOM 0 H GLU A 72 8.695 6.457 4.886 1.00 0.00 H new ATOM 0 HA GLU A 72 7.369 7.118 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.345 8.535 5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.726 9.234 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.179 6.554 6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.925 8.061 7.336 1.00 0.00 H new ATOM 1165 N TYR A 73 6.241 8.604 4.618 1.00 0.00 N ATOM 1166 CA TYR A 73 5.009 9.229 4.135 1.00 0.00 C ATOM 1167 C TYR A 73 3.800 8.392 4.583 1.00 0.00 C ATOM 1168 O TYR A 73 2.839 8.918 5.146 1.00 0.00 O ATOM 1169 CB TYR A 73 5.056 9.422 2.606 1.00 0.00 C ATOM 1170 CG TYR A 73 3.730 9.253 1.875 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.821 10.322 1.766 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.429 8.024 1.259 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.649 10.175 0.998 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.224 7.857 0.555 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.362 8.949 0.372 1.00 0.00 C ATOM 1176 OH TYR A 73 0.301 8.844 -0.481 1.00 0.00 O ATOM 0 H TYR A 73 6.907 8.360 3.885 1.00 0.00 H new ATOM 0 HA TYR A 73 4.908 10.223 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.440 10.420 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.771 8.712 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.022 11.255 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.128 7.204 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.969 11.007 0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.962 6.889 0.155 1.00 0.00 H new ATOM 0 HH TYR A 73 0.464 8.118 -1.119 1.00 0.00 H new ATOM 1186 N ILE A 74 3.862 7.077 4.367 1.00 0.00 N ATOM 1187 CA ILE A 74 2.838 6.146 4.820 1.00 0.00 C ATOM 1188 C ILE A 74 2.678 6.223 6.347 1.00 0.00 C ATOM 1189 O ILE A 74 1.574 6.053 6.851 1.00 0.00 O ATOM 1190 CB ILE A 74 3.155 4.719 4.330 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.164 4.555 2.798 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.183 3.709 4.927 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.789 4.690 2.137 1.00 0.00 C ATOM 0 H ILE A 74 4.631 6.629 3.869 1.00 0.00 H new ATOM 0 HA ILE A 74 1.879 6.428 4.386 1.00 0.00 H new ATOM 0 HB ILE A 74 4.171 4.529 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.834 5.300 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.577 3.577 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.428 2.710 4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.258 3.730 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.166 3.963 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.889 4.561 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.118 3.928 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.380 5.678 2.347 1.00 0.00 H new ATOM 1205 N THR A 75 3.751 6.494 7.093 1.00 0.00 N ATOM 1206 CA THR A 75 3.690 6.714 8.533 1.00 0.00 C ATOM 1207 C THR A 75 2.994 8.037 8.846 1.00 0.00 C ATOM 1208 O THR A 75 2.220 8.104 9.793 1.00 0.00 O ATOM 1209 CB THR A 75 5.086 6.619 9.165 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.659 5.370 8.834 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.034 6.727 10.691 1.00 0.00 C ATOM 0 H THR A 75 4.693 6.567 6.708 1.00 0.00 H new ATOM 0 HA THR A 75 3.090 5.923 8.982 1.00 0.00 H new ATOM 0 HB THR A 75 5.679 7.447 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.847 5.341 7.873 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.044 6.655 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.598 7.685 10.973 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.424 5.918 11.092 1.00 0.00 H new ATOM 1219 N PHE A 76 3.237 9.087 8.060 1.00 0.00 N ATOM 1220 CA PHE A 76 2.543 10.361 8.209 1.00 0.00 C ATOM 1221 C PHE A 76 1.034 10.141 8.041 1.00 0.00 C ATOM 1222 O PHE A 76 0.253 10.438 8.948 1.00 0.00 O ATOM 1223 CB PHE A 76 3.121 11.379 7.213 1.00 0.00 C ATOM 1224 CG PHE A 76 2.715 12.821 7.445 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.366 13.577 8.438 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.822 13.455 6.559 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.150 14.964 8.527 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.602 14.839 6.653 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.263 15.594 7.637 1.00 0.00 C ATOM 0 H PHE A 76 3.921 9.075 7.303 1.00 0.00 H new ATOM 0 HA PHE A 76 2.696 10.773 9.207 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.209 11.316 7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.815 11.091 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.033 13.090 9.134 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.306 12.876 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.665 15.544 9.278 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.923 15.324 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.090 16.658 7.709 1.00 0.00 H new ATOM 1239 N LEU A 77 0.627 9.557 6.906 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.773 9.201 6.681 1.00 0.00 C ATOM 1241 C LEU A 77 -1.286 8.275 7.786 1.00 0.00 C ATOM 1242 O LEU A 77 -2.370 8.480 8.322 1.00 0.00 O ATOM 1243 CB LEU A 77 -0.972 8.525 5.315 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.716 9.405 4.081 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.193 8.630 2.846 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.461 10.745 4.139 1.00 0.00 C ATOM 0 H LEU A 77 1.249 9.323 6.133 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.344 10.129 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.312 7.659 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.994 8.151 5.263 1.00 0.00 H new ATOM 0 HG LEU A 77 0.350 9.631 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.024 9.230 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.638 7.696 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.257 8.413 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.241 11.323 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.534 10.562 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.138 11.303 5.018 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.510 7.247 8.123 1.00 0.00 N ATOM 1259 CA GLY A 78 -0.858 6.250 9.120 1.00 0.00 C ATOM 1260 C GLY A 78 -1.122 6.889 10.479 1.00 0.00 C ATOM 1261 O GLY A 78 -2.087 6.541 11.150 1.00 0.00 O ATOM 0 H GLY A 78 0.402 7.085 7.696 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.743 5.703 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.049 5.524 9.209 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.270 7.825 10.892 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.410 8.535 12.149 1.00 0.00 C ATOM 1267 C ALA A 79 -1.644 9.436 12.103 1.00 0.00 C ATOM 1268 O ALA A 79 -2.450 9.410 13.023 1.00 0.00 O ATOM 1269 CB ALA A 79 0.872 9.318 12.442 1.00 0.00 C ATOM 0 H ALA A 79 0.546 8.111 10.351 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.557 7.827 12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.765 9.851 13.387 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.713 8.628 12.508 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.052 10.034 11.640 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.821 10.211 11.031 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.026 11.015 10.814 1.00 0.00 C ATOM 1277 C LEU A 80 -4.274 10.135 11.005 1.00 0.00 C ATOM 1278 O LEU A 80 -5.143 10.419 11.840 1.00 0.00 O ATOM 1279 CB LEU A 80 -2.883 11.679 9.430 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.088 12.339 8.740 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.922 11.331 7.948 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.972 13.186 9.659 1.00 0.00 C ATOM 0 H LEU A 80 -1.130 10.299 10.286 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.148 11.818 11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.110 12.442 9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.502 10.918 8.749 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.641 13.044 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.762 11.843 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.302 10.870 7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.297 10.561 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.795 13.610 9.083 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.372 12.560 10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.380 13.992 10.092 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.309 9.024 10.266 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.359 8.025 10.326 1.00 0.00 C ATOM 1296 C ALA A 81 -5.579 7.549 11.760 1.00 0.00 C ATOM 1297 O ALA A 81 -6.701 7.623 12.254 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.019 6.860 9.393 1.00 0.00 C ATOM 0 H ALA A 81 -3.580 8.795 9.590 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.294 8.473 9.990 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.810 6.112 9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.929 7.227 8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.075 6.410 9.702 1.00 0.00 H new ATOM 1304 N MET A 82 -4.517 7.067 12.411 1.00 0.00 N ATOM 1305 CA MET A 82 -4.535 6.579 13.781 1.00 0.00 C ATOM 1306 C MET A 82 -5.152 7.620 14.712 1.00 0.00 C ATOM 1307 O MET A 82 -6.049 7.298 15.486 1.00 0.00 O ATOM 1308 CB MET A 82 -3.102 6.230 14.210 1.00 0.00 C ATOM 1309 CG MET A 82 -3.034 5.512 15.561 1.00 0.00 C ATOM 1310 SD MET A 82 -1.375 5.389 16.283 1.00 0.00 S ATOM 1311 CE MET A 82 -0.501 4.490 14.983 1.00 0.00 C ATOM 0 H MET A 82 -3.595 7.006 11.980 1.00 0.00 H new ATOM 0 HA MET A 82 -5.150 5.681 13.841 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.645 5.599 13.447 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.512 7.145 14.262 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.682 6.033 16.265 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.437 4.506 15.441 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.440 4.105 15.376 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.117 3.659 14.638 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.298 5.162 14.149 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.649 8.855 14.658 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.038 9.893 15.595 1.00 0.00 C ATOM 1323 C ILE A 83 -6.529 10.191 15.444 1.00 0.00 C ATOM 1324 O ILE A 83 -7.223 10.204 16.460 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.163 11.155 15.456 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.682 10.884 15.774 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.655 12.244 16.426 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -1.784 11.953 15.138 1.00 0.00 C ATOM 0 H ILE A 83 -3.964 9.156 13.964 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.868 9.531 16.609 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.247 11.476 14.418 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.533 10.873 16.854 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.400 9.898 15.403 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.032 13.132 16.322 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.690 12.497 16.194 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.592 11.875 17.450 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.742 11.741 15.376 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.918 11.944 14.056 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.053 12.934 15.529 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.030 10.460 14.224 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.446 10.823 14.101 1.00 0.00 C ATOM 1342 C TYR A 84 -9.415 9.631 14.092 1.00 0.00 C ATOM 1343 O TYR A 84 -10.517 9.742 14.631 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.741 11.962 13.107 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.369 11.875 11.637 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.214 10.649 10.969 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.421 13.067 10.887 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.178 10.612 9.563 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.371 13.031 9.486 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.282 11.798 8.822 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.294 11.747 7.461 1.00 0.00 O ATOM 0 H TYR A 84 -6.503 10.435 13.351 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.686 11.299 15.052 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.815 12.142 13.147 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.254 12.854 13.500 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.122 9.734 11.535 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.500 14.016 11.396 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.070 9.666 9.052 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.401 13.950 8.919 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.372 12.655 7.100 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.030 8.467 13.558 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.886 7.284 13.625 1.00 0.00 C ATOM 1363 C ASN A 85 -9.734 6.652 15.000 1.00 0.00 C ATOM 1364 O ASN A 85 -9.084 5.616 15.133 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.578 6.252 12.532 1.00 0.00 C ATOM 1366 CG ASN A 85 -9.898 6.763 11.137 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -10.997 6.574 10.628 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -8.923 7.394 10.499 1.00 0.00 N ATOM 0 H ASN A 85 -8.141 8.322 13.080 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.913 7.607 13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.524 5.979 12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.151 5.345 12.723 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.074 7.741 9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.021 7.533 10.955 1.00 0.00 H new ATOM 1375 N GLU A 86 -10.371 7.267 16.003 1.00 0.00 N ATOM 1376 CA GLU A 86 -10.407 6.812 17.393 1.00 0.00 C ATOM 1377 C GLU A 86 -10.433 5.280 17.488 1.00 0.00 C ATOM 1378 O GLU A 86 -9.630 4.682 18.201 1.00 0.00 O ATOM 1379 CB GLU A 86 -11.634 7.402 18.114 1.00 0.00 C ATOM 1380 CG GLU A 86 -11.819 8.926 17.993 1.00 0.00 C ATOM 1381 CD GLU A 86 -10.688 9.755 18.597 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -9.921 9.197 19.411 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -10.632 10.957 18.256 1.00 0.00 O ATOM 0 H GLU A 86 -10.896 8.130 15.860 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.496 7.163 17.878 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.528 6.915 17.725 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.567 7.147 19.172 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.917 9.184 16.939 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.755 9.205 18.478 1.00 0.00 H new ATOM 1390 N ALA A 87 -11.349 4.669 16.728 1.00 0.00 N ATOM 1391 CA ALA A 87 -11.548 3.231 16.582 1.00 0.00 C ATOM 1392 C ALA A 87 -10.249 2.420 16.552 1.00 0.00 C ATOM 1393 O ALA A 87 -10.173 1.360 17.170 1.00 0.00 O ATOM 1394 CB ALA A 87 -12.344 2.980 15.296 1.00 0.00 C ATOM 0 H ALA A 87 -12.010 5.204 16.165 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.090 2.891 17.465 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.503 1.909 15.170 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.308 3.485 15.360 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.788 3.368 14.442 1.00 0.00 H new ATOM 1400 N LEU A 88 -9.239 2.888 15.812 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.974 2.178 15.689 1.00 0.00 C ATOM 1402 C LEU A 88 -7.278 2.044 17.042 1.00 0.00 C ATOM 1403 O LEU A 88 -6.659 1.016 17.303 1.00 0.00 O ATOM 1404 CB LEU A 88 -7.041 2.892 14.697 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.417 2.686 13.222 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.528 3.588 12.361 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.199 1.231 12.780 1.00 0.00 C ATOM 0 H LEU A 88 -9.280 3.762 15.288 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.198 1.179 15.313 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.045 3.960 14.916 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.022 2.538 14.854 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.472 2.930 13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.783 3.453 11.310 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.686 4.629 12.642 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.482 3.324 12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.476 1.124 11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.150 0.965 12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.817 0.570 13.388 1.00 0.00 H new ATOM 1469 N ALA B 2 -15.194 12.477 0.719 1.00 0.00 N ATOM 1470 CA ALA B 2 -14.358 11.288 0.674 1.00 0.00 C ATOM 1471 C ALA B 2 -13.395 11.352 -0.514 1.00 0.00 C ATOM 1472 O ALA B 2 -13.616 10.723 -1.545 1.00 0.00 O ATOM 1473 CB ALA B 2 -15.210 10.017 0.652 1.00 0.00 C ATOM 0 HA ALA B 2 -13.757 11.253 1.583 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.559 9.143 0.618 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.826 9.976 1.550 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.853 10.025 -0.228 1.00 0.00 H new ATOM 1479 N SER B 3 -12.318 12.124 -0.351 1.00 0.00 N ATOM 1480 CA SER B 3 -11.179 12.147 -1.260 1.00 0.00 C ATOM 1481 C SER B 3 -10.752 10.718 -1.624 1.00 0.00 C ATOM 1482 O SER B 3 -10.875 9.825 -0.782 1.00 0.00 O ATOM 1483 CB SER B 3 -10.015 12.869 -0.563 1.00 0.00 C ATOM 1484 OG SER B 3 -8.765 12.552 -1.151 1.00 0.00 O ATOM 0 H SER B 3 -12.215 12.764 0.437 1.00 0.00 H new ATOM 0 HA SER B 3 -11.456 12.667 -2.177 1.00 0.00 H new ATOM 0 HB2 SER B 3 -10.176 13.946 -0.611 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.999 12.596 0.492 1.00 0.00 H new ATOM 0 HG SER B 3 -8.086 13.185 -0.838 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.186 10.492 -2.822 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.533 9.239 -3.168 1.00 0.00 C ATOM 1492 C PRO B 4 -8.641 8.722 -2.035 1.00 0.00 C ATOM 1493 O PRO B 4 -8.677 7.534 -1.719 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.731 9.532 -4.438 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.553 10.631 -5.108 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.076 11.440 -3.921 1.00 0.00 C ATOM 0 HA PRO B 4 -10.262 8.446 -3.332 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.719 9.866 -4.210 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.641 8.650 -5.072 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -8.944 11.241 -5.775 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.366 10.219 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.396 12.254 -3.671 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.042 11.891 -4.149 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.869 9.609 -1.390 1.00 0.00 N ATOM 1505 CA LEU B 5 -7.093 9.211 -0.222 1.00 0.00 C ATOM 1506 C LEU B 5 -7.958 8.836 0.971 1.00 0.00 C ATOM 1507 O LEU B 5 -7.654 7.856 1.636 1.00 0.00 O ATOM 1508 CB LEU B 5 -6.044 10.248 0.194 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.613 9.852 -0.191 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.697 10.959 0.314 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -4.131 8.557 0.471 1.00 0.00 C ATOM 0 H LEU B 5 -7.770 10.589 -1.657 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.562 8.316 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.286 11.205 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.095 10.394 1.273 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.595 9.703 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.664 10.720 0.062 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.975 11.903 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.795 11.047 1.396 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.111 8.342 0.151 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -4.154 8.672 1.555 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.784 7.734 0.179 1.00 0.00 H new ATOM 1523 N ASP B 6 -9.012 9.596 1.270 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.899 9.253 2.375 1.00 0.00 C ATOM 1525 C ASP B 6 -10.458 7.845 2.160 1.00 0.00 C ATOM 1526 O ASP B 6 -10.429 7.016 3.065 1.00 0.00 O ATOM 1527 CB ASP B 6 -11.013 10.291 2.511 1.00 0.00 C ATOM 1528 CG ASP B 6 -11.967 9.920 3.642 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -11.621 10.236 4.801 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -13.021 9.332 3.322 1.00 0.00 O ATOM 0 H ASP B 6 -9.268 10.445 0.766 1.00 0.00 H new ATOM 0 HA ASP B 6 -9.338 9.260 3.310 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -10.580 11.273 2.703 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.564 10.364 1.574 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.920 7.572 0.940 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.401 6.262 0.538 1.00 0.00 C ATOM 1537 C GLN B 7 -10.302 5.204 0.702 1.00 0.00 C ATOM 1538 O GLN B 7 -10.525 4.171 1.325 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.920 6.351 -0.902 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.568 5.043 -1.369 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.168 5.185 -2.765 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.361 4.989 -2.960 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -12.344 5.533 -3.750 1.00 0.00 N ATOM 0 H GLN B 7 -10.969 8.269 0.197 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.223 5.948 1.182 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.647 7.160 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.095 6.603 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -11.823 4.247 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -13.347 4.750 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -11.355 5.689 -3.556 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -12.701 5.643 -4.699 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.117 5.438 0.131 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.022 4.473 0.133 1.00 0.00 C ATOM 1554 C ALA B 8 -7.525 4.166 1.556 1.00 0.00 C ATOM 1555 O ALA B 8 -7.358 3.008 1.937 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.902 4.996 -0.758 1.00 0.00 C ATOM 0 H ALA B 8 -8.892 6.310 -0.348 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.384 3.526 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.078 4.282 -0.764 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.276 5.127 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.550 5.954 -0.375 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.311 5.209 2.360 1.00 0.00 N ATOM 1563 CA ILE B 9 -7.033 5.085 3.784 1.00 0.00 C ATOM 1564 C ILE B 9 -8.160 4.263 4.413 1.00 0.00 C ATOM 1565 O ILE B 9 -7.897 3.252 5.056 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.879 6.482 4.426 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.580 7.157 3.948 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.892 6.388 5.958 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.565 8.663 4.242 1.00 0.00 C ATOM 0 H ILE B 9 -7.327 6.175 2.032 1.00 0.00 H new ATOM 0 HA ILE B 9 -6.088 4.569 3.957 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.727 7.090 4.112 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.727 6.685 4.436 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.463 6.997 2.876 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.782 7.385 6.385 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.836 5.954 6.288 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.067 5.758 6.291 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.629 9.094 3.886 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -6.401 9.142 3.732 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.654 8.825 5.316 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.413 4.676 4.191 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.606 3.970 4.630 1.00 0.00 C ATOM 1583 C GLY B 10 -10.533 2.475 4.325 1.00 0.00 C ATOM 1584 O GLY B 10 -10.822 1.656 5.191 1.00 0.00 O ATOM 0 H GLY B 10 -9.623 5.537 3.686 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.739 4.115 5.702 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.481 4.397 4.140 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.126 2.111 3.108 1.00 0.00 N ATOM 1589 CA LEU B 11 -9.903 0.732 2.706 1.00 0.00 C ATOM 1590 C LEU B 11 -8.859 0.061 3.607 1.00 0.00 C ATOM 1591 O LEU B 11 -9.163 -0.953 4.231 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.542 0.678 1.209 1.00 0.00 C ATOM 1593 CG LEU B 11 -10.801 0.638 0.324 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.591 1.380 -1.001 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.159 -0.819 0.018 1.00 0.00 C ATOM 0 H LEU B 11 -9.940 2.784 2.364 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.821 0.158 2.836 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -8.940 1.548 0.948 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -8.931 -0.203 1.013 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.606 1.131 0.870 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.503 1.328 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.348 2.423 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -9.772 0.917 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.050 -0.851 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.330 -1.295 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.352 -1.350 0.950 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.639 0.602 3.710 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.590 -0.019 4.532 1.00 0.00 C ATOM 1609 C LEU B 12 -7.030 -0.166 5.998 1.00 0.00 C ATOM 1610 O LEU B 12 -6.807 -1.212 6.619 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.261 0.750 4.422 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.375 0.242 3.270 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.035 0.438 1.909 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.034 0.979 3.260 1.00 0.00 C ATOM 0 H LEU B 12 -7.354 1.461 3.239 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.424 -1.022 4.140 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.470 1.810 4.274 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.715 0.661 5.361 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.225 -0.824 3.441 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.374 0.065 1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -5.977 -0.110 1.879 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.227 1.499 1.747 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.421 0.607 2.439 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.207 2.047 3.129 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.518 0.808 4.205 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.652 0.880 6.549 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.257 0.853 7.878 1.00 0.00 C ATOM 1628 C ILE B 13 -9.282 -0.278 7.963 1.00 0.00 C ATOM 1629 O ILE B 13 -9.200 -1.113 8.857 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.895 2.215 8.219 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.794 3.279 8.361 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.732 2.140 9.511 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.370 4.652 8.712 1.00 0.00 C ATOM 0 H ILE B 13 -7.749 1.779 6.077 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.477 0.665 8.615 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.567 2.490 7.406 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.090 2.972 9.134 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.233 3.348 7.429 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.166 3.118 9.720 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.530 1.408 9.386 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.093 1.842 10.342 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.559 5.374 8.803 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.054 4.972 7.926 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -8.908 4.590 9.658 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.259 -0.296 7.057 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.338 -1.269 7.044 1.00 0.00 C ATOM 1647 C GLY B 14 -10.780 -2.687 7.030 1.00 0.00 C ATOM 1648 O GLY B 14 -11.171 -3.522 7.844 1.00 0.00 O ATOM 0 H GLY B 14 -10.319 0.382 6.298 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -11.971 -1.130 7.920 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -11.967 -1.111 6.168 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.834 -2.943 6.126 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.124 -4.208 6.046 1.00 0.00 C ATOM 1654 C ILE B 15 -8.526 -4.557 7.413 1.00 0.00 C ATOM 1655 O ILE B 15 -8.723 -5.667 7.901 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.067 -4.141 4.929 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.709 -4.040 3.528 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.119 -5.341 5.015 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.256 -5.359 2.972 1.00 0.00 C ATOM 0 H ILE B 15 -9.540 -2.266 5.423 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.813 -5.012 5.787 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.488 -3.230 5.079 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.522 -3.315 3.568 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -7.967 -3.649 2.832 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.378 -5.277 4.218 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.614 -5.337 5.981 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.689 -6.264 4.908 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.686 -5.187 1.985 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.446 -6.084 2.893 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.025 -5.745 3.641 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.819 -3.621 8.054 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.282 -3.863 9.389 1.00 0.00 C ATOM 1673 C PHE B 16 -8.401 -4.243 10.364 1.00 0.00 C ATOM 1674 O PHE B 16 -8.320 -5.257 11.058 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.526 -2.627 9.893 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.681 -2.864 11.130 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.553 -3.699 11.056 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -5.976 -2.205 12.338 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.674 -3.803 12.147 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.101 -2.317 13.434 1.00 0.00 C ATOM 1681 CZ PHE B 16 -3.942 -3.107 13.336 1.00 0.00 C ATOM 0 H PHE B 16 -7.609 -2.699 7.672 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.583 -4.698 9.331 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.882 -2.261 9.094 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.247 -1.839 10.108 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.361 -4.264 10.156 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.875 -1.613 12.424 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.791 -4.420 12.071 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.320 -1.795 14.353 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.261 -3.178 14.172 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.443 -3.414 10.417 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.552 -3.538 11.348 1.00 0.00 C ATOM 1693 C HIS B 17 -11.253 -4.889 11.193 1.00 0.00 C ATOM 1694 O HIS B 17 -11.664 -5.484 12.187 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.523 -2.367 11.145 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.531 -2.186 12.255 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -13.063 -3.167 13.068 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.081 -0.992 12.642 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -13.910 -2.566 13.922 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.953 -1.242 13.704 1.00 0.00 N ATOM 0 H HIS B 17 -9.537 -2.614 9.791 1.00 0.00 H new ATOM 0 HA HIS B 17 -10.170 -3.497 12.368 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.946 -1.448 11.042 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -12.058 -2.514 10.207 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -12.852 -4.164 13.028 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.876 -0.027 12.203 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.480 -3.080 14.682 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.385 -5.362 9.952 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.033 -6.619 9.603 1.00 0.00 C ATOM 1710 C LYS B 18 -11.388 -7.826 10.300 1.00 0.00 C ATOM 1711 O LYS B 18 -12.063 -8.839 10.484 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.034 -6.747 8.071 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.723 -8.012 7.542 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.830 -7.929 6.012 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.459 -9.189 5.407 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.559 -10.353 5.496 1.00 0.00 N ATOM 0 H LYS B 18 -11.030 -4.860 9.138 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.062 -6.612 9.964 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.528 -5.874 7.646 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.003 -6.734 7.717 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.156 -8.897 7.831 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.715 -8.111 7.983 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.427 -7.059 5.738 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.837 -7.781 5.587 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.392 -9.412 5.924 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.709 -9.003 4.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.054 -11.201 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.715 -10.185 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.272 -10.495 6.486 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.103 -7.742 10.670 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.385 -8.828 11.334 1.00 0.00 C ATOM 1732 C TYR B 19 -8.947 -8.385 12.731 1.00 0.00 C ATOM 1733 O TYR B 19 -9.369 -8.958 13.733 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.201 -9.283 10.470 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.608 -9.972 9.177 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -9.069 -9.206 8.091 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.511 -11.371 9.043 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.418 -9.821 6.880 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.875 -11.991 7.833 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.323 -11.217 6.751 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.686 -11.826 5.589 1.00 0.00 O ATOM 0 H TYR B 19 -9.532 -6.911 10.514 1.00 0.00 H new ATOM 0 HA TYR B 19 -10.046 -9.686 11.455 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.586 -8.416 10.230 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.580 -9.963 11.052 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.155 -8.134 8.191 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.157 -11.969 9.870 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.759 -9.223 6.048 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.809 -13.065 7.737 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.857 -11.147 4.903 1.00 0.00 H new ATOM 1751 N SER B 20 -8.101 -7.359 12.800 1.00 0.00 N ATOM 1752 CA SER B 20 -7.528 -6.854 14.039 1.00 0.00 C ATOM 1753 C SER B 20 -8.624 -6.280 14.929 1.00 0.00 C ATOM 1754 O SER B 20 -8.706 -6.597 16.115 1.00 0.00 O ATOM 1755 CB SER B 20 -6.481 -5.777 13.718 1.00 0.00 C ATOM 1756 OG SER B 20 -6.025 -5.929 12.387 1.00 0.00 O ATOM 0 H SER B 20 -7.790 -6.846 11.975 1.00 0.00 H new ATOM 0 HA SER B 20 -7.045 -7.673 14.573 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.914 -4.786 13.852 1.00 0.00 H new ATOM 0 HB3 SER B 20 -5.642 -5.855 14.410 1.00 0.00 H new ATOM 0 HG SER B 20 -5.272 -5.323 12.228 1.00 0.00 H new ATOM 1847 N HIS B 27 -5.843 -2.259 18.020 1.00 0.00 N ATOM 1848 CA HIS B 27 -4.739 -1.544 17.397 1.00 0.00 C ATOM 1849 C HIS B 27 -3.625 -2.494 16.940 1.00 0.00 C ATOM 1850 O HIS B 27 -2.657 -2.045 16.318 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.175 -0.532 18.407 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.239 0.474 17.787 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -1.943 0.726 18.172 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -3.499 1.237 16.681 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.436 1.626 17.311 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -2.343 1.958 16.379 1.00 0.00 N ATOM 0 HA HIS B 27 -5.116 -1.035 16.510 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.002 -0.004 18.881 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -3.648 -1.071 19.194 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -1.456 0.307 18.965 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -4.432 1.274 16.139 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -0.435 2.027 17.362 1.00 0.00 H new ATOM 1864 N THR B 28 -3.747 -3.789 17.251 1.00 0.00 N ATOM 1865 CA THR B 28 -2.702 -4.787 17.105 1.00 0.00 C ATOM 1866 C THR B 28 -3.261 -6.102 16.551 1.00 0.00 C ATOM 1867 O THR B 28 -4.456 -6.366 16.648 1.00 0.00 O ATOM 1868 CB THR B 28 -2.038 -4.992 18.481 1.00 0.00 C ATOM 1869 OG1 THR B 28 -2.946 -4.700 19.523 1.00 0.00 O ATOM 1870 CG2 THR B 28 -0.837 -4.067 18.688 1.00 0.00 C ATOM 0 H THR B 28 -4.613 -4.177 17.625 1.00 0.00 H new ATOM 0 HA THR B 28 -1.959 -4.441 16.387 1.00 0.00 H new ATOM 0 HB THR B 28 -1.720 -6.034 18.503 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.507 -4.838 20.388 1.00 0.00 H new ATOM 0 HG21 THR B 28 -0.403 -4.249 19.671 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.089 -4.264 17.919 1.00 0.00 H new ATOM 0 HG23 THR B 28 -1.162 -3.029 18.621 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.382 -6.923 15.969 1.00 0.00 N ATOM 1879 CA LEU B 29 -2.660 -8.293 15.536 1.00 0.00 C ATOM 1880 C LEU B 29 -1.325 -9.028 15.387 1.00 0.00 C ATOM 1881 O LEU B 29 -0.289 -8.393 15.558 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.484 -8.324 14.239 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.087 -7.348 13.121 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.581 -7.230 12.886 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -3.719 -7.832 11.813 1.00 0.00 C ATOM 0 H LEU B 29 -1.421 -6.639 15.780 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.270 -8.799 16.285 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.436 -9.335 13.835 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.525 -8.133 14.498 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.440 -6.366 13.436 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.393 -6.521 12.080 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.097 -6.880 13.798 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.178 -8.205 12.612 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.449 -7.152 11.005 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.355 -8.833 11.582 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -4.803 -7.856 11.920 1.00 0.00 H new ATOM 1897 N SER B 30 -1.315 -10.332 15.073 1.00 0.00 N ATOM 1898 CA SER B 30 -0.070 -11.080 14.867 1.00 0.00 C ATOM 1899 C SER B 30 -0.107 -11.995 13.630 1.00 0.00 C ATOM 1900 O SER B 30 -0.982 -11.887 12.770 1.00 0.00 O ATOM 1901 CB SER B 30 0.308 -11.848 16.147 1.00 0.00 C ATOM 1902 OG SER B 30 1.667 -12.264 16.119 1.00 0.00 O ATOM 0 H SER B 30 -2.160 -10.891 14.956 1.00 0.00 H new ATOM 0 HA SER B 30 0.713 -10.352 14.657 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.138 -11.214 17.017 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.339 -12.719 16.255 1.00 0.00 H new ATOM 0 HG SER B 30 2.170 -11.698 15.497 1.00 0.00 H new ATOM 1908 N LYS B 31 0.880 -12.895 13.572 1.00 0.00 N ATOM 1909 CA LYS B 31 1.251 -13.755 12.455 1.00 0.00 C ATOM 1910 C LYS B 31 0.048 -14.298 11.690 1.00 0.00 C ATOM 1911 O LYS B 31 -0.133 -13.998 10.512 1.00 0.00 O ATOM 1912 CB LYS B 31 2.114 -14.924 12.961 1.00 0.00 C ATOM 1913 CG LYS B 31 3.481 -14.457 13.471 1.00 0.00 C ATOM 1914 CD LYS B 31 4.282 -15.585 14.133 1.00 0.00 C ATOM 1915 CE LYS B 31 4.519 -16.782 13.208 1.00 0.00 C ATOM 1916 NZ LYS B 31 5.476 -17.727 13.810 1.00 0.00 N ATOM 0 H LYS B 31 1.488 -13.050 14.376 1.00 0.00 H new ATOM 0 HA LYS B 31 1.817 -13.138 11.758 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.587 -15.442 13.762 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.256 -15.644 12.155 1.00 0.00 H new ATOM 0 HG2 LYS B 31 4.055 -14.049 12.639 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.340 -13.648 14.188 1.00 0.00 H new ATOM 0 HD2 LYS B 31 5.244 -15.193 14.463 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.753 -15.922 15.024 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.574 -17.289 13.013 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.899 -16.435 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.622 -18.531 13.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.383 -17.245 13.974 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 5.099 -18.073 14.716 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.757 -15.127 12.359 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.892 -15.802 11.755 1.00 0.00 C ATOM 1932 C LYS B 32 -2.788 -14.792 11.039 1.00 0.00 C ATOM 1933 O LYS B 32 -3.133 -14.968 9.873 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.647 -16.545 12.862 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.713 -17.491 12.299 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.509 -18.142 13.434 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.550 -17.181 14.027 1.00 0.00 C ATOM 1938 NZ LYS B 32 -6.359 -17.843 15.065 1.00 0.00 N ATOM 0 H LYS B 32 -0.631 -15.346 13.347 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.559 -16.519 11.005 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.939 -17.115 13.464 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.120 -15.821 13.526 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.388 -16.939 11.644 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.239 -18.262 11.691 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.010 -19.035 13.060 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.825 -18.465 14.218 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.046 -16.314 14.454 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.202 -16.813 13.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.053 -17.169 15.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.858 -18.656 14.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -5.738 -18.172 15.832 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.143 -13.719 11.748 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.029 -12.688 11.241 1.00 0.00 C ATOM 1954 C GLU B 33 -3.416 -12.027 10.009 1.00 0.00 C ATOM 1955 O GLU B 33 -4.120 -11.812 9.030 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.308 -11.662 12.341 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.000 -12.293 13.558 1.00 0.00 C ATOM 1958 CD GLU B 33 -5.000 -11.323 14.729 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.967 -11.307 15.435 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -6.002 -10.586 14.860 1.00 0.00 O ATOM 0 H GLU B 33 -2.816 -13.546 12.699 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.976 -13.137 10.943 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.370 -11.204 12.655 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.934 -10.864 11.942 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.024 -12.564 13.302 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -4.488 -13.213 13.839 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.118 -11.709 10.043 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.421 -11.113 8.904 1.00 0.00 C ATOM 1969 C LEU B 34 -1.419 -12.050 7.693 1.00 0.00 C ATOM 1970 O LEU B 34 -1.755 -11.643 6.578 1.00 0.00 O ATOM 1971 CB LEU B 34 0.019 -10.769 9.292 1.00 0.00 C ATOM 1972 CG LEU B 34 0.095 -9.623 10.309 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.455 -9.688 11.000 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.077 -8.259 9.629 1.00 0.00 C ATOM 0 H LEU B 34 -1.525 -11.858 10.859 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.954 -10.203 8.628 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.501 -11.653 9.709 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.577 -10.494 8.397 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.712 -9.733 11.033 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.532 -8.881 11.729 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.560 -10.647 11.508 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.246 -9.583 10.257 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.018 -7.469 10.378 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.712 -8.119 8.890 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -1.048 -8.219 9.135 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.009 -13.303 7.901 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.923 -14.282 6.829 1.00 0.00 C ATOM 1988 C LYS B 35 -2.311 -14.525 6.229 1.00 0.00 C ATOM 1989 O LYS B 35 -2.451 -14.564 5.005 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.240 -15.566 7.319 1.00 0.00 C ATOM 1991 CG LYS B 35 1.236 -15.286 7.655 1.00 0.00 C ATOM 1992 CD LYS B 35 1.975 -16.520 8.192 1.00 0.00 C ATOM 1993 CE LYS B 35 2.153 -17.639 7.158 1.00 0.00 C ATOM 1994 NZ LYS B 35 2.872 -17.175 5.959 1.00 0.00 N ATOM 0 H LYS B 35 -0.730 -13.661 8.814 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.295 -13.893 6.027 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -0.755 -15.948 8.200 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.306 -16.338 6.552 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.744 -14.926 6.760 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.289 -14.487 8.395 1.00 0.00 H new ATOM 0 HD2 LYS B 35 2.957 -16.214 8.554 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.428 -16.914 9.049 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.699 -18.467 7.610 1.00 0.00 H new ATOM 0 HE3 LYS B 35 1.175 -18.023 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 3.164 -17.995 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 2.247 -16.566 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.714 -16.636 6.246 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.343 -14.633 7.075 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.717 -14.638 6.597 1.00 0.00 C ATOM 2010 C GLU B 36 -4.969 -13.370 5.786 1.00 0.00 C ATOM 2011 O GLU B 36 -5.200 -13.478 4.593 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.727 -14.773 7.742 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.739 -16.188 8.331 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.679 -16.267 9.530 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -6.340 -15.649 10.563 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -7.726 -16.935 9.388 1.00 0.00 O ATOM 0 H GLU B 36 -3.246 -14.717 8.087 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.858 -15.511 5.960 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.485 -14.056 8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.724 -14.523 7.378 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.053 -16.901 7.569 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.731 -16.469 8.634 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.924 -12.188 6.410 1.00 0.00 N ATOM 2024 CA LEU B 37 -5.152 -10.889 5.778 1.00 0.00 C ATOM 2025 C LEU B 37 -4.622 -10.857 4.349 1.00 0.00 C ATOM 2026 O LEU B 37 -5.398 -10.686 3.408 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.483 -9.765 6.590 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.430 -9.085 7.583 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.622 -8.348 8.653 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.295 -8.063 6.841 1.00 0.00 C ATOM 0 H LEU B 37 -4.720 -12.110 7.406 1.00 0.00 H new ATOM 0 HA LEU B 37 -6.230 -10.731 5.753 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.633 -10.177 7.134 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -4.090 -9.016 5.903 1.00 0.00 H new ATOM 0 HG LEU B 37 -6.056 -9.845 8.050 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.302 -7.867 9.356 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.992 -9.059 9.187 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.995 -7.592 8.179 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.970 -7.578 7.546 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.655 -7.313 6.377 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.877 -8.570 6.071 1.00 0.00 H new ATOM 2042 N ILE B 38 -3.307 -11.018 4.183 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.714 -10.893 2.862 1.00 0.00 C ATOM 2044 C ILE B 38 -3.311 -11.938 1.909 1.00 0.00 C ATOM 2045 O ILE B 38 -3.796 -11.578 0.840 1.00 0.00 O ATOM 2046 CB ILE B 38 -1.175 -10.875 2.943 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.590 -10.351 1.624 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.576 -12.237 3.309 1.00 0.00 C ATOM 2049 CD1 ILE B 38 0.923 -10.119 1.680 1.00 0.00 C ATOM 0 H ILE B 38 -2.650 -11.231 4.933 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.972 -9.928 2.426 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.902 -10.201 3.755 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.812 -11.062 0.829 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -1.084 -9.415 1.362 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.510 -12.158 3.350 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.954 -12.551 4.282 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.858 -12.973 2.556 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.270 -9.749 0.715 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.150 -9.385 2.453 1.00 0.00 H new ATOM 0 HD13 ILE B 38 1.427 -11.058 1.911 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.335 -13.215 2.303 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.807 -14.294 1.444 1.00 0.00 C ATOM 2063 C GLN B 39 -5.284 -14.125 1.061 1.00 0.00 C ATOM 2064 O GLN B 39 -5.672 -14.401 -0.070 1.00 0.00 O ATOM 2065 CB GLN B 39 -3.553 -15.629 2.158 1.00 0.00 C ATOM 2066 CG GLN B 39 -3.901 -16.835 1.278 1.00 0.00 C ATOM 2067 CD GLN B 39 -3.446 -18.147 1.910 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -2.745 -18.936 1.286 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -3.835 -18.396 3.158 1.00 0.00 N ATOM 0 H GLN B 39 -3.028 -13.524 3.225 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.255 -14.271 0.504 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.505 -15.687 2.453 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.144 -15.667 3.073 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -4.978 -16.865 1.112 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -3.431 -16.720 0.301 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -4.418 -17.722 3.654 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -3.550 -19.261 3.618 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.113 -13.712 2.020 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.548 -13.550 1.858 1.00 0.00 C ATOM 2080 C LYS B 40 -7.826 -12.360 0.940 1.00 0.00 C ATOM 2081 O LYS B 40 -8.573 -12.464 -0.028 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.208 -13.277 3.224 1.00 0.00 C ATOM 2083 CG LYS B 40 -7.972 -14.316 4.334 1.00 0.00 C ATOM 2084 CD LYS B 40 -9.192 -15.185 4.648 1.00 0.00 C ATOM 2085 CE LYS B 40 -9.313 -16.293 3.604 1.00 0.00 C ATOM 2086 NZ LYS B 40 -10.492 -17.142 3.851 1.00 0.00 N ATOM 0 H LYS B 40 -5.789 -13.475 2.958 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.957 -14.464 1.428 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.855 -12.311 3.584 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.283 -13.186 3.069 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.145 -14.963 4.041 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.665 -13.798 5.242 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -9.096 -15.618 5.644 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -10.095 -14.574 4.652 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -9.383 -15.851 2.610 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.412 -16.907 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -10.544 -17.884 3.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -10.412 -17.582 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -11.353 -16.560 3.814 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.258 -11.208 1.302 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.605 -9.929 0.711 1.00 0.00 C ATOM 2102 C GLU B 41 -6.862 -9.664 -0.602 1.00 0.00 C ATOM 2103 O GLU B 41 -7.440 -9.055 -1.498 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.390 -8.813 1.739 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.147 -9.040 3.063 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.660 -9.159 2.901 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -10.218 -8.372 2.109 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.233 -10.029 3.599 1.00 0.00 O ATOM 0 H GLU B 41 -6.538 -11.144 2.021 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.661 -9.953 0.441 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.324 -8.725 1.950 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.709 -7.865 1.306 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.770 -9.948 3.534 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.928 -8.215 3.741 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.601 -10.093 -0.741 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.917 -10.044 -2.029 1.00 0.00 C ATOM 2117 C LEU B 42 -5.271 -11.296 -2.821 1.00 0.00 C ATOM 2118 O LEU B 42 -4.535 -12.282 -2.810 1.00 0.00 O ATOM 2119 CB LEU B 42 -3.396 -9.886 -1.876 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.976 -8.547 -1.254 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.452 -8.425 -1.297 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.537 -7.362 -2.043 1.00 0.00 C ATOM 0 H LEU B 42 -5.041 -10.475 0.021 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.255 -9.161 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -3.015 -10.699 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.929 -9.984 -2.856 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.359 -8.528 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.150 -7.475 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.005 -9.244 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.113 -8.469 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.220 -6.430 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.165 -7.398 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.626 -7.412 -2.050 1.00 0.00 H new ATOM 2243 N ASP B 50 8.441 -11.553 -5.966 1.00 0.00 N ATOM 2244 CA ASP B 50 8.972 -12.031 -4.692 1.00 0.00 C ATOM 2245 C ASP B 50 8.276 -11.408 -3.480 1.00 0.00 C ATOM 2246 O ASP B 50 7.980 -12.114 -2.522 1.00 0.00 O ATOM 2247 CB ASP B 50 10.488 -11.788 -4.618 1.00 0.00 C ATOM 2248 CG ASP B 50 10.869 -10.312 -4.505 1.00 0.00 C ATOM 2249 OD1 ASP B 50 10.331 -9.516 -5.309 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.674 -10.000 -3.604 1.00 0.00 O ATOM 0 HA ASP B 50 8.771 -13.102 -4.654 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.892 -12.325 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.958 -12.208 -5.507 1.00 0.00 H new ATOM 2255 N ALA B 51 8.017 -10.099 -3.530 1.00 0.00 N ATOM 2256 CA ALA B 51 7.392 -9.298 -2.486 1.00 0.00 C ATOM 2257 C ALA B 51 6.415 -10.079 -1.604 1.00 0.00 C ATOM 2258 O ALA B 51 6.576 -10.118 -0.386 1.00 0.00 O ATOM 2259 CB ALA B 51 6.657 -8.135 -3.149 1.00 0.00 C ATOM 0 H ALA B 51 8.254 -9.541 -4.351 1.00 0.00 H new ATOM 0 HA ALA B 51 8.187 -8.954 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.181 -7.522 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.367 -7.528 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.897 -8.524 -3.827 1.00 0.00 H new ATOM 2265 N GLU B 52 5.389 -10.677 -2.214 1.00 0.00 N ATOM 2266 CA GLU B 52 4.309 -11.320 -1.477 1.00 0.00 C ATOM 2267 C GLU B 52 4.811 -12.574 -0.757 1.00 0.00 C ATOM 2268 O GLU B 52 4.453 -12.833 0.393 1.00 0.00 O ATOM 2269 CB GLU B 52 3.147 -11.595 -2.445 1.00 0.00 C ATOM 2270 CG GLU B 52 1.869 -12.042 -1.722 1.00 0.00 C ATOM 2271 CD GLU B 52 0.652 -12.086 -2.648 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.863 -12.117 -3.881 1.00 0.00 O ATOM 2273 OE2 GLU B 52 -0.471 -12.085 -2.101 1.00 0.00 O ATOM 0 H GLU B 52 5.287 -10.727 -3.228 1.00 0.00 H new ATOM 0 HA GLU B 52 3.939 -10.662 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.938 -10.693 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.446 -12.365 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.028 -13.030 -1.290 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.667 -11.361 -0.895 1.00 0.00 H new ATOM 2280 N ILE B 53 5.668 -13.335 -1.436 1.00 0.00 N ATOM 2281 CA ILE B 53 6.260 -14.553 -0.913 1.00 0.00 C ATOM 2282 C ILE B 53 7.103 -14.152 0.298 1.00 0.00 C ATOM 2283 O ILE B 53 6.949 -14.683 1.398 1.00 0.00 O ATOM 2284 CB ILE B 53 7.115 -15.238 -2.001 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.354 -15.562 -3.302 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.683 -16.553 -1.448 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.903 -14.364 -4.150 1.00 0.00 C ATOM 0 H ILE B 53 5.973 -13.113 -2.384 1.00 0.00 H new ATOM 0 HA ILE B 53 5.497 -15.272 -0.614 1.00 0.00 H new ATOM 0 HB ILE B 53 7.895 -14.521 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE B 53 6.989 -16.197 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.472 -16.148 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.287 -17.039 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.302 -16.344 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.863 -17.211 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.380 -14.722 -5.037 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.234 -13.734 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.775 -13.784 -4.453 1.00 0.00 H new ATOM 2299 N VAL B 54 7.986 -13.176 0.080 1.00 0.00 N ATOM 2300 CA VAL B 54 8.862 -12.625 1.093 1.00 0.00 C ATOM 2301 C VAL B 54 8.039 -12.147 2.284 1.00 0.00 C ATOM 2302 O VAL B 54 8.388 -12.481 3.405 1.00 0.00 O ATOM 2303 CB VAL B 54 9.757 -11.534 0.481 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.594 -10.816 1.549 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.713 -12.182 -0.530 1.00 0.00 C ATOM 0 H VAL B 54 8.108 -12.741 -0.834 1.00 0.00 H new ATOM 0 HA VAL B 54 9.536 -13.394 1.471 1.00 0.00 H new ATOM 0 HB VAL B 54 9.109 -10.801 0.001 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.212 -10.053 1.075 1.00 0.00 H new ATOM 0 HG12 VAL B 54 9.931 -10.346 2.276 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.234 -11.538 2.056 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.352 -11.416 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.331 -12.923 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.136 -12.668 -1.317 1.00 0.00 H new ATOM 2315 N LYS B 55 6.946 -11.410 2.072 1.00 0.00 N ATOM 2316 CA LYS B 55 6.058 -11.002 3.159 1.00 0.00 C ATOM 2317 C LYS B 55 5.573 -12.222 3.943 1.00 0.00 C ATOM 2318 O LYS B 55 5.722 -12.273 5.166 1.00 0.00 O ATOM 2319 CB LYS B 55 4.883 -10.168 2.619 1.00 0.00 C ATOM 2320 CG LYS B 55 4.924 -8.698 3.059 1.00 0.00 C ATOM 2321 CD LYS B 55 6.008 -7.841 2.390 1.00 0.00 C ATOM 2322 CE LYS B 55 7.427 -8.112 2.903 1.00 0.00 C ATOM 2323 NZ LYS B 55 8.341 -7.019 2.543 1.00 0.00 N ATOM 0 H LYS B 55 6.655 -11.083 1.151 1.00 0.00 H new ATOM 0 HA LYS B 55 6.618 -10.369 3.847 1.00 0.00 H new ATOM 0 HB2 LYS B 55 4.885 -10.213 1.530 1.00 0.00 H new ATOM 0 HB3 LYS B 55 3.947 -10.614 2.955 1.00 0.00 H new ATOM 0 HG2 LYS B 55 3.952 -8.248 2.856 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.072 -8.663 4.138 1.00 0.00 H new ATOM 0 HD2 LYS B 55 5.982 -8.017 1.315 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.772 -6.789 2.547 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.408 -8.232 3.986 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.795 -9.049 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 9.243 -7.416 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 7.916 -6.446 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 8.512 -6.421 3.376 1.00 0.00 H new ATOM 2337 N LEU B 56 5.001 -13.205 3.241 1.00 0.00 N ATOM 2338 CA LEU B 56 4.502 -14.421 3.871 1.00 0.00 C ATOM 2339 C LEU B 56 5.579 -15.089 4.735 1.00 0.00 C ATOM 2340 O LEU B 56 5.262 -15.553 5.829 1.00 0.00 O ATOM 2341 CB LEU B 56 3.931 -15.380 2.816 1.00 0.00 C ATOM 2342 CG LEU B 56 2.581 -14.913 2.245 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.308 -15.626 0.916 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.431 -15.218 3.215 1.00 0.00 C ATOM 0 H LEU B 56 4.874 -13.177 2.229 1.00 0.00 H new ATOM 0 HA LEU B 56 3.688 -14.148 4.543 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.648 -15.483 2.001 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.809 -16.368 3.260 1.00 0.00 H new ATOM 0 HG LEU B 56 2.636 -13.835 2.094 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.351 -15.293 0.514 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.101 -15.390 0.207 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.277 -16.703 1.081 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.490 -14.876 2.783 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.380 -16.292 3.392 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.605 -14.702 4.159 1.00 0.00 H new ATOM 2356 N MET B 57 6.835 -15.146 4.269 1.00 0.00 N ATOM 2357 CA MET B 57 7.918 -15.691 5.085 1.00 0.00 C ATOM 2358 C MET B 57 8.228 -14.727 6.244 1.00 0.00 C ATOM 2359 O MET B 57 8.037 -15.049 7.418 1.00 0.00 O ATOM 2360 CB MET B 57 9.190 -15.942 4.253 1.00 0.00 C ATOM 2361 CG MET B 57 9.062 -16.825 3.004 1.00 0.00 C ATOM 2362 SD MET B 57 8.194 -18.412 3.124 1.00 0.00 S ATOM 2363 CE MET B 57 6.579 -17.965 2.449 1.00 0.00 C ATOM 0 H MET B 57 7.119 -14.825 3.343 1.00 0.00 H new ATOM 0 HA MET B 57 7.589 -16.652 5.482 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.583 -14.974 3.941 1.00 0.00 H new ATOM 0 HB3 MET B 57 9.936 -16.393 4.908 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.562 -16.235 2.236 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.070 -17.029 2.643 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.058 -18.866 2.124 1.00 0.00 H new ATOM 0 HE2 MET B 57 5.990 -17.462 3.216 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.713 -17.297 1.598 1.00 0.00 H new ATOM 2373 N ASP B 58 8.714 -13.536 5.878 1.00 0.00 N ATOM 2374 CA ASP B 58 9.198 -12.455 6.730 1.00 0.00 C ATOM 2375 C ASP B 58 8.289 -12.213 7.921 1.00 0.00 C ATOM 2376 O ASP B 58 8.783 -11.898 8.998 1.00 0.00 O ATOM 2377 CB ASP B 58 9.332 -11.163 5.913 1.00 0.00 C ATOM 2378 CG ASP B 58 9.738 -9.975 6.781 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.828 -10.057 7.387 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.950 -9.003 6.819 1.00 0.00 O ATOM 0 H ASP B 58 8.783 -13.287 4.891 1.00 0.00 H new ATOM 0 HA ASP B 58 10.173 -12.756 7.113 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.073 -11.307 5.127 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.384 -10.945 5.422 1.00 0.00 H new ATOM 2385 N ASP B 59 6.977 -12.380 7.739 1.00 0.00 N ATOM 2386 CA ASP B 59 5.994 -12.320 8.808 1.00 0.00 C ATOM 2387 C ASP B 59 6.518 -12.954 10.102 1.00 0.00 C ATOM 2388 O ASP B 59 6.451 -12.324 11.157 1.00 0.00 O ATOM 2389 CB ASP B 59 4.733 -13.053 8.344 1.00 0.00 C ATOM 2390 CG ASP B 59 3.683 -13.076 9.443 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.057 -12.014 9.644 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.540 -14.147 10.071 1.00 0.00 O ATOM 0 H ASP B 59 6.566 -12.564 6.824 1.00 0.00 H new ATOM 0 HA ASP B 59 5.777 -11.274 9.026 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.328 -12.563 7.459 1.00 0.00 H new ATOM 0 HB3 ASP B 59 4.986 -14.073 8.056 1.00 0.00 H new ATOM 2397 N LEU B 60 7.061 -14.173 10.037 1.00 0.00 N ATOM 2398 CA LEU B 60 7.531 -14.843 11.246 1.00 0.00 C ATOM 2399 C LEU B 60 8.650 -14.046 11.926 1.00 0.00 C ATOM 2400 O LEU B 60 8.633 -13.866 13.143 1.00 0.00 O ATOM 2401 CB LEU B 60 7.885 -16.313 10.966 1.00 0.00 C ATOM 2402 CG LEU B 60 9.153 -16.542 10.123 1.00 0.00 C ATOM 2403 CD1 LEU B 60 10.379 -16.805 11.009 1.00 0.00 C ATOM 2404 CD2 LEU B 60 8.958 -17.750 9.199 1.00 0.00 C ATOM 0 H LEU B 60 7.183 -14.705 9.176 1.00 0.00 H new ATOM 0 HA LEU B 60 6.716 -14.872 11.969 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.006 -16.827 11.920 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.042 -16.781 10.457 1.00 0.00 H new ATOM 0 HG LEU B 60 9.323 -15.637 9.540 1.00 0.00 H new ATOM 0 HD11 LEU B 60 11.255 -16.962 10.380 1.00 0.00 H new ATOM 0 HD12 LEU B 60 10.548 -15.947 11.660 1.00 0.00 H new ATOM 0 HD13 LEU B 60 10.205 -17.693 11.617 1.00 0.00 H new ATOM 0 HD21 LEU B 60 9.860 -17.904 8.607 1.00 0.00 H new ATOM 0 HD22 LEU B 60 8.761 -18.639 9.799 1.00 0.00 H new ATOM 0 HD23 LEU B 60 8.114 -17.567 8.534 1.00 0.00 H new ATOM 2416 N ASP B 61 9.600 -13.534 11.140 1.00 0.00 N ATOM 2417 CA ASP B 61 10.755 -12.794 11.635 1.00 0.00 C ATOM 2418 C ASP B 61 10.314 -11.442 12.189 1.00 0.00 C ATOM 2419 O ASP B 61 10.808 -10.989 13.215 1.00 0.00 O ATOM 2420 CB ASP B 61 11.775 -12.589 10.506 1.00 0.00 C ATOM 2421 CG ASP B 61 12.223 -13.910 9.891 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.162 -14.512 10.455 1.00 0.00 O ATOM 2423 OD2 ASP B 61 11.609 -14.296 8.874 1.00 0.00 O ATOM 0 H ASP B 61 9.585 -13.626 10.124 1.00 0.00 H new ATOM 0 HA ASP B 61 11.223 -13.369 12.434 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.336 -11.959 9.732 1.00 0.00 H new ATOM 0 HB3 ASP B 61 12.644 -12.058 10.895 1.00 0.00 H new ATOM 2428 N ARG B 62 9.386 -10.795 11.484 1.00 0.00 N ATOM 2429 CA ARG B 62 8.826 -9.506 11.841 1.00 0.00 C ATOM 2430 C ARG B 62 8.089 -9.607 13.176 1.00 0.00 C ATOM 2431 O ARG B 62 8.273 -8.772 14.057 1.00 0.00 O ATOM 2432 CB ARG B 62 7.900 -9.058 10.701 1.00 0.00 C ATOM 2433 CG ARG B 62 7.336 -7.649 10.923 1.00 0.00 C ATOM 2434 CD ARG B 62 6.417 -7.210 9.777 1.00 0.00 C ATOM 2435 NE ARG B 62 7.127 -7.218 8.487 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.099 -6.273 7.537 1.00 0.00 C ATOM 2437 NH1 ARG B 62 6.355 -5.169 7.659 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.833 -6.460 6.437 1.00 0.00 N ATOM 0 H ARG B 62 8.995 -11.173 10.621 1.00 0.00 H new ATOM 0 HA ARG B 62 9.611 -8.761 11.970 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.449 -9.082 9.760 1.00 0.00 H new ATOM 0 HB3 ARG B 62 7.076 -9.765 10.607 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.782 -7.624 11.861 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.159 -6.940 11.020 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.555 -7.875 9.724 1.00 0.00 H new ATOM 0 HD3 ARG B 62 6.035 -6.209 9.978 1.00 0.00 H new ATOM 0 HE ARG B 62 7.706 -8.036 8.295 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.786 -5.027 8.494 1.00 0.00 H new ATOM 0 HH12 ARG B 62 6.356 -4.469 6.917 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.395 -7.305 6.337 1.00 0.00 H new ATOM 0 HH22 ARG B 62 7.831 -5.758 5.697 1.00 0.00 H new ATOM 2452 N ASN B 63 7.232 -10.621 13.313 1.00 0.00 N ATOM 2453 CA ASN B 63 6.394 -10.776 14.495 1.00 0.00 C ATOM 2454 C ASN B 63 7.189 -11.339 15.665 1.00 0.00 C ATOM 2455 O ASN B 63 6.943 -10.960 16.805 1.00 0.00 O ATOM 2456 CB ASN B 63 5.214 -11.709 14.208 1.00 0.00 C ATOM 2457 CG ASN B 63 4.109 -11.040 13.397 1.00 0.00 C ATOM 2458 OD1 ASN B 63 3.039 -10.743 13.915 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.337 -10.837 12.106 1.00 0.00 N ATOM 0 H ASN B 63 7.103 -11.350 12.612 1.00 0.00 H new ATOM 0 HA ASN B 63 6.023 -9.785 14.756 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.574 -12.585 13.668 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.800 -12.064 15.152 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.612 -10.424 11.519 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.237 -11.094 11.701 1.00 0.00 H new ATOM 2517 N GLU B 67 2.655 -9.470 18.726 1.00 0.00 N ATOM 2518 CA GLU B 67 1.754 -8.665 17.923 1.00 0.00 C ATOM 2519 C GLU B 67 2.494 -7.478 17.298 1.00 0.00 C ATOM 2520 O GLU B 67 3.365 -6.884 17.930 1.00 0.00 O ATOM 2521 CB GLU B 67 0.593 -8.142 18.784 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.422 -9.210 19.223 1.00 0.00 C ATOM 2523 CD GLU B 67 0.194 -10.340 20.045 1.00 0.00 C ATOM 2524 OE1 GLU B 67 0.989 -10.017 20.954 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.123 -11.508 19.730 1.00 0.00 O ATOM 0 HA GLU B 67 1.361 -9.297 17.127 1.00 0.00 H new ATOM 0 HB2 GLU B 67 1.006 -7.667 19.674 1.00 0.00 H new ATOM 0 HB3 GLU B 67 0.066 -7.369 18.225 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -1.208 -8.733 19.809 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.897 -9.633 18.338 1.00 0.00 H new ATOM 2532 N VAL B 68 2.102 -7.113 16.076 1.00 0.00 N ATOM 2533 CA VAL B 68 2.484 -5.876 15.418 1.00 0.00 C ATOM 2534 C VAL B 68 1.294 -4.924 15.547 1.00 0.00 C ATOM 2535 O VAL B 68 0.148 -5.376 15.636 1.00 0.00 O ATOM 2536 CB VAL B 68 2.866 -6.115 13.945 1.00 0.00 C ATOM 2537 CG1 VAL B 68 4.015 -7.124 13.823 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.690 -6.562 13.075 1.00 0.00 C ATOM 0 H VAL B 68 1.490 -7.694 15.504 1.00 0.00 H new ATOM 0 HA VAL B 68 3.370 -5.447 15.886 1.00 0.00 H new ATOM 0 HB VAL B 68 3.193 -5.145 13.569 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.260 -7.270 12.771 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.890 -6.744 14.350 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.712 -8.075 14.261 1.00 0.00 H new ATOM 0 HG21 VAL B 68 2.031 -6.712 12.051 1.00 0.00 H new ATOM 0 HG22 VAL B 68 1.285 -7.497 13.463 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.914 -5.797 13.091 1.00 0.00 H new ATOM 2548 N ASN B 69 1.561 -3.615 15.573 1.00 0.00 N ATOM 2549 CA ASN B 69 0.528 -2.585 15.618 1.00 0.00 C ATOM 2550 C ASN B 69 0.202 -2.090 14.214 1.00 0.00 C ATOM 2551 O ASN B 69 0.915 -2.403 13.260 1.00 0.00 O ATOM 2552 CB ASN B 69 0.961 -1.409 16.503 1.00 0.00 C ATOM 2553 CG ASN B 69 2.021 -0.561 15.806 1.00 0.00 C ATOM 2554 OD1 ASN B 69 1.703 0.299 14.985 1.00 0.00 O ATOM 2555 ND2 ASN B 69 3.286 -0.837 16.095 1.00 0.00 N ATOM 0 H ASN B 69 2.510 -3.241 15.563 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.368 -3.030 16.051 1.00 0.00 H new ATOM 0 HB2 ASN B 69 0.095 -0.791 16.742 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.354 -1.785 17.447 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.038 -0.328 15.630 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.507 -1.558 16.782 1.00 0.00 H new ATOM 2562 N PHE B 70 -0.848 -1.270 14.128 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.325 -0.638 12.907 1.00 0.00 C ATOM 2564 C PHE B 70 -0.201 -0.243 11.945 1.00 0.00 C ATOM 2565 O PHE B 70 -0.176 -0.744 10.828 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.230 0.552 13.251 1.00 0.00 C ATOM 2567 CG PHE B 70 -2.861 1.223 12.045 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.733 0.495 11.212 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.591 2.574 11.756 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.328 1.110 10.098 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.188 3.190 10.641 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.049 2.457 9.806 1.00 0.00 C ATOM 0 H PHE B 70 -1.408 -1.021 14.943 1.00 0.00 H new ATOM 0 HA PHE B 70 -1.911 -1.382 12.367 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.021 0.211 13.918 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -1.646 1.291 13.800 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.945 -0.541 11.431 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -1.924 3.138 12.391 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.000 0.548 9.466 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -2.984 4.229 10.426 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.495 2.927 8.942 1.00 0.00 H new ATOM 2582 N GLN B 71 0.750 0.617 12.330 1.00 0.00 N ATOM 2583 CA GLN B 71 1.739 1.069 11.346 1.00 0.00 C ATOM 2584 C GLN B 71 2.645 -0.076 10.891 1.00 0.00 C ATOM 2585 O GLN B 71 3.083 -0.084 9.745 1.00 0.00 O ATOM 2586 CB GLN B 71 2.550 2.287 11.815 1.00 0.00 C ATOM 2587 CG GLN B 71 3.649 2.722 10.812 1.00 0.00 C ATOM 2588 CD GLN B 71 3.192 2.951 9.364 1.00 0.00 C ATOM 2589 OE1 GLN B 71 3.864 2.552 8.414 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.055 3.609 9.165 1.00 0.00 N ATOM 0 H GLN B 71 0.855 0.999 13.270 1.00 0.00 H new ATOM 0 HA GLN B 71 1.170 1.406 10.480 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.871 3.123 11.983 1.00 0.00 H new ATOM 0 HB3 GLN B 71 3.015 2.057 12.774 1.00 0.00 H new ATOM 0 HG2 GLN B 71 4.102 3.643 11.178 1.00 0.00 H new ATOM 0 HG3 GLN B 71 4.430 1.962 10.809 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.508 3.934 9.962 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.729 3.789 8.215 1.00 0.00 H new ATOM 2599 N GLU B 72 2.935 -1.053 11.749 1.00 0.00 N ATOM 2600 CA GLU B 72 3.758 -2.181 11.335 1.00 0.00 C ATOM 2601 C GLU B 72 2.958 -3.091 10.394 1.00 0.00 C ATOM 2602 O GLU B 72 3.510 -3.597 9.414 1.00 0.00 O ATOM 2603 CB GLU B 72 4.362 -2.881 12.557 1.00 0.00 C ATOM 2604 CG GLU B 72 5.673 -2.208 13.007 1.00 0.00 C ATOM 2605 CD GLU B 72 5.574 -0.691 13.177 1.00 0.00 C ATOM 2606 OE1 GLU B 72 5.233 -0.262 14.299 1.00 0.00 O ATOM 2607 OE2 GLU B 72 5.845 0.016 12.183 1.00 0.00 O ATOM 0 H GLU B 72 2.617 -1.085 12.718 1.00 0.00 H new ATOM 0 HA GLU B 72 4.615 -1.840 10.755 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.644 -2.865 13.377 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.553 -3.928 12.320 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.988 -2.648 13.953 1.00 0.00 H new ATOM 0 HG3 GLU B 72 6.451 -2.430 12.277 1.00 0.00 H new ATOM 2614 N TYR B 73 1.653 -3.251 10.640 1.00 0.00 N ATOM 2615 CA TYR B 73 0.758 -3.886 9.675 1.00 0.00 C ATOM 2616 C TYR B 73 0.847 -3.130 8.345 1.00 0.00 C ATOM 2617 O TYR B 73 1.132 -3.723 7.306 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.686 -3.936 10.207 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.781 -3.742 9.164 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.133 -4.788 8.290 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.440 -2.503 9.058 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.164 -4.604 7.349 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.436 -2.305 8.088 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.828 -3.368 7.258 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.877 -3.217 6.399 1.00 0.00 O ATOM 0 H TYR B 73 1.196 -2.948 11.500 1.00 0.00 H new ATOM 0 HA TYR B 73 1.066 -4.919 9.516 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.841 -4.898 10.695 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.799 -3.168 10.973 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.612 -5.732 8.341 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.178 -1.698 9.728 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.446 -5.415 6.694 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.900 -1.336 7.980 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.410 -2.440 6.667 1.00 0.00 H new ATOM 2635 N ILE B 74 0.639 -1.812 8.378 1.00 0.00 N ATOM 2636 CA ILE B 74 0.739 -0.967 7.198 1.00 0.00 C ATOM 2637 C ILE B 74 2.100 -1.181 6.531 1.00 0.00 C ATOM 2638 O ILE B 74 2.162 -1.288 5.316 1.00 0.00 O ATOM 2639 CB ILE B 74 0.496 0.513 7.546 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -0.921 0.821 8.070 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.781 1.396 6.335 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.017 0.790 7.001 1.00 0.00 C ATOM 0 H ILE B 74 0.396 -1.304 9.229 1.00 0.00 H new ATOM 0 HA ILE B 74 -0.040 -1.250 6.491 1.00 0.00 H new ATOM 0 HB ILE B 74 1.185 0.732 8.362 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.171 0.100 8.849 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -0.915 1.806 8.537 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.605 2.440 6.596 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.819 1.269 6.028 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.123 1.111 5.514 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -2.979 1.018 7.460 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.797 1.531 6.233 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.056 -0.201 6.549 1.00 0.00 H new ATOM 2654 N THR B 75 3.187 -1.276 7.296 1.00 0.00 N ATOM 2655 CA THR B 75 4.521 -1.526 6.762 1.00 0.00 C ATOM 2656 C THR B 75 4.611 -2.887 6.071 1.00 0.00 C ATOM 2657 O THR B 75 5.418 -3.048 5.160 1.00 0.00 O ATOM 2658 CB THR B 75 5.588 -1.334 7.852 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.487 -0.033 8.394 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.013 -1.477 7.310 1.00 0.00 C ATOM 0 H THR B 75 3.164 -1.181 8.311 1.00 0.00 H new ATOM 0 HA THR B 75 4.722 -0.787 5.986 1.00 0.00 H new ATOM 0 HB THR B 75 5.406 -2.107 8.599 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.675 0.033 8.938 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.727 -1.332 8.121 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.143 -2.473 6.886 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.185 -0.728 6.537 1.00 0.00 H new ATOM 2668 N PHE B 76 3.798 -3.873 6.455 1.00 0.00 N ATOM 2669 CA PHE B 76 3.694 -5.116 5.694 1.00 0.00 C ATOM 2670 C PHE B 76 3.257 -4.771 4.264 1.00 0.00 C ATOM 2671 O PHE B 76 3.924 -5.116 3.289 1.00 0.00 O ATOM 2672 CB PHE B 76 2.720 -6.073 6.404 1.00 0.00 C ATOM 2673 CG PHE B 76 2.902 -7.549 6.102 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.000 -8.239 6.650 1.00 0.00 C ATOM 2675 CD2 PHE B 76 1.885 -8.269 5.447 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.105 -9.633 6.506 1.00 0.00 C ATOM 2677 CE2 PHE B 76 1.972 -9.668 5.339 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.087 -10.349 5.853 1.00 0.00 C ATOM 0 H PHE B 76 3.205 -3.834 7.284 1.00 0.00 H new ATOM 0 HA PHE B 76 4.653 -5.630 5.637 1.00 0.00 H new ATOM 0 HB2 PHE B 76 2.818 -5.927 7.480 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.702 -5.790 6.135 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.765 -7.695 7.183 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.038 -7.747 5.027 1.00 0.00 H new ATOM 0 HE1 PHE B 76 4.967 -10.153 6.897 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.178 -10.221 4.859 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.162 -11.421 5.747 1.00 0.00 H new ATOM 2688 N LEU B 77 2.159 -4.018 4.154 1.00 0.00 N ATOM 2689 CA LEU B 77 1.593 -3.588 2.881 1.00 0.00 C ATOM 2690 C LEU B 77 2.544 -2.652 2.126 1.00 0.00 C ATOM 2691 O LEU B 77 2.683 -2.740 0.910 1.00 0.00 O ATOM 2692 CB LEU B 77 0.246 -2.893 3.114 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.754 -3.695 3.964 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.052 -2.889 4.063 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -1.042 -5.081 3.373 1.00 0.00 C ATOM 0 H LEU B 77 1.633 -3.687 4.963 1.00 0.00 H new ATOM 0 HA LEU B 77 1.443 -4.475 2.266 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.427 -1.934 3.599 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.209 -2.680 2.147 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.319 -3.858 4.950 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.777 -3.439 4.662 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.848 -1.927 4.533 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.456 -2.726 3.064 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.753 -5.607 4.010 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.462 -4.970 2.373 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.115 -5.652 3.315 1.00 0.00 H new ATOM 2707 N GLY B 78 3.186 -1.731 2.840 1.00 0.00 N ATOM 2708 CA GLY B 78 4.053 -0.714 2.276 1.00 0.00 C ATOM 2709 C GLY B 78 5.347 -1.336 1.759 1.00 0.00 C ATOM 2710 O GLY B 78 5.810 -1.005 0.671 1.00 0.00 O ATOM 0 H GLY B 78 3.112 -1.675 3.856 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.540 -0.201 1.463 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.281 0.037 3.032 1.00 0.00 H new ATOM 2714 N ALA B 79 5.924 -2.268 2.516 1.00 0.00 N ATOM 2715 CA ALA B 79 7.104 -2.995 2.082 1.00 0.00 C ATOM 2716 C ALA B 79 6.752 -3.918 0.911 1.00 0.00 C ATOM 2717 O ALA B 79 7.480 -3.956 -0.079 1.00 0.00 O ATOM 2718 CB ALA B 79 7.699 -3.743 3.275 1.00 0.00 C ATOM 0 H ALA B 79 5.586 -2.535 3.440 1.00 0.00 H new ATOM 0 HA ALA B 79 7.865 -2.306 1.715 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.585 -4.291 2.956 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.974 -3.029 4.052 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.962 -4.443 3.670 1.00 0.00 H new ATOM 2724 N LEU B 80 5.622 -4.634 0.989 1.00 0.00 N ATOM 2725 CA LEU B 80 5.093 -5.398 -0.140 1.00 0.00 C ATOM 2726 C LEU B 80 5.047 -4.513 -1.388 1.00 0.00 C ATOM 2727 O LEU B 80 5.633 -4.837 -2.426 1.00 0.00 O ATOM 2728 CB LEU B 80 3.687 -5.911 0.215 1.00 0.00 C ATOM 2729 CG LEU B 80 2.977 -6.641 -0.935 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.455 -8.087 -0.998 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.464 -6.621 -0.714 1.00 0.00 C ATOM 0 H LEU B 80 5.054 -4.697 1.834 1.00 0.00 H new ATOM 0 HA LEU B 80 5.740 -6.250 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.763 -6.586 1.068 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.073 -5.067 0.530 1.00 0.00 H new ATOM 0 HG LEU B 80 3.212 -6.135 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU B 80 2.949 -8.602 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.532 -8.107 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.226 -8.587 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU B 80 0.970 -7.141 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.227 -7.119 0.226 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.115 -5.589 -0.676 1.00 0.00 H new ATOM 2743 N ALA B 81 4.339 -3.388 -1.258 1.00 0.00 N ATOM 2744 CA ALA B 81 4.193 -2.390 -2.295 1.00 0.00 C ATOM 2745 C ALA B 81 5.553 -2.010 -2.857 1.00 0.00 C ATOM 2746 O ALA B 81 5.738 -2.077 -4.067 1.00 0.00 O ATOM 2747 CB ALA B 81 3.472 -1.159 -1.745 1.00 0.00 C ATOM 0 H ALA B 81 3.841 -3.149 -0.400 1.00 0.00 H new ATOM 0 HA ALA B 81 3.593 -2.808 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.368 -0.415 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.484 -1.446 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA B 81 4.049 -0.737 -0.922 1.00 0.00 H new ATOM 2753 N MET B 82 6.487 -1.617 -1.988 1.00 0.00 N ATOM 2754 CA MET B 82 7.829 -1.212 -2.368 1.00 0.00 C ATOM 2755 C MET B 82 8.516 -2.294 -3.201 1.00 0.00 C ATOM 2756 O MET B 82 9.075 -1.992 -4.252 1.00 0.00 O ATOM 2757 CB MET B 82 8.631 -0.855 -1.109 1.00 0.00 C ATOM 2758 CG MET B 82 10.002 -0.262 -1.449 1.00 0.00 C ATOM 2759 SD MET B 82 11.033 0.206 -0.033 1.00 0.00 S ATOM 2760 CE MET B 82 10.022 1.496 0.727 1.00 0.00 C ATOM 0 H MET B 82 6.322 -1.573 -0.982 1.00 0.00 H new ATOM 0 HA MET B 82 7.773 -0.325 -2.999 1.00 0.00 H new ATOM 0 HB2 MET B 82 8.066 -0.141 -0.510 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.764 -1.748 -0.499 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.551 -0.987 -2.050 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.851 0.620 -2.072 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.605 2.014 1.489 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.708 2.208 -0.036 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.143 1.045 1.187 1.00 0.00 H new ATOM 2770 N ILE B 83 8.504 -3.545 -2.730 1.00 0.00 N ATOM 2771 CA ILE B 83 9.209 -4.611 -3.427 1.00 0.00 C ATOM 2772 C ILE B 83 8.598 -4.844 -4.815 1.00 0.00 C ATOM 2773 O ILE B 83 9.345 -4.831 -5.796 1.00 0.00 O ATOM 2774 CB ILE B 83 9.306 -5.900 -2.589 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.108 -5.684 -1.294 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.002 -6.998 -3.412 1.00 0.00 C ATOM 2777 CD1 ILE B 83 10.053 -6.918 -0.383 1.00 0.00 C ATOM 0 H ILE B 83 8.020 -3.836 -1.881 1.00 0.00 H new ATOM 0 HA ILE B 83 10.240 -4.289 -3.576 1.00 0.00 H new ATOM 0 HB ILE B 83 8.290 -6.194 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.146 -5.459 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.713 -4.819 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.070 -7.910 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.426 -7.196 -4.316 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.004 -6.668 -3.686 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.631 -6.728 0.522 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.017 -7.127 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.472 -7.777 -0.908 1.00 0.00 H new ATOM 2789 N TYR B 84 7.281 -5.102 -4.923 1.00 0.00 N ATOM 2790 CA TYR B 84 6.717 -5.433 -6.237 1.00 0.00 C ATOM 2791 C TYR B 84 6.536 -4.207 -7.147 1.00 0.00 C ATOM 2792 O TYR B 84 6.790 -4.294 -8.347 1.00 0.00 O ATOM 2793 CB TYR B 84 5.593 -6.498 -6.234 1.00 0.00 C ATOM 2794 CG TYR B 84 4.316 -6.358 -5.422 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.605 -5.145 -5.370 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.664 -7.547 -5.034 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.274 -5.122 -4.909 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.354 -7.521 -4.535 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.645 -6.311 -4.500 1.00 0.00 C ATOM 2800 OH TYR B 84 0.326 -6.317 -4.157 1.00 0.00 O ATOM 0 H TYR B 84 6.615 -5.089 -4.150 1.00 0.00 H new ATOM 0 HA TYR B 84 7.493 -5.999 -6.753 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.286 -6.625 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.056 -7.434 -5.922 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.081 -4.228 -5.685 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.181 -8.491 -5.123 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.735 -4.187 -4.870 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.892 -8.430 -4.179 1.00 0.00 H new ATOM 0 HH TYR B 84 -0.168 -5.710 -4.747 1.00 0.00 H new ATOM 2810 N ASN B 85 6.189 -3.033 -6.607 1.00 0.00 N ATOM 2811 CA ASN B 85 6.213 -1.791 -7.383 1.00 0.00 C ATOM 2812 C ASN B 85 7.643 -1.267 -7.387 1.00 0.00 C ATOM 2813 O ASN B 85 7.941 -0.262 -6.743 1.00 0.00 O ATOM 2814 CB ASN B 85 5.261 -0.710 -6.849 1.00 0.00 C ATOM 2815 CG ASN B 85 3.810 -1.155 -6.804 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.048 -0.949 -7.741 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.414 -1.746 -5.686 1.00 0.00 N ATOM 0 H ASN B 85 5.889 -2.919 -5.639 1.00 0.00 H new ATOM 0 HA ASN B 85 5.864 -2.021 -8.390 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.576 -0.421 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.342 0.178 -7.476 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.445 -2.047 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.078 -1.900 -4.928 1.00 0.00 H new ATOM 2824 N GLU B 86 8.519 -1.937 -8.142 1.00 0.00 N ATOM 2825 CA GLU B 86 9.944 -1.618 -8.218 1.00 0.00 C ATOM 2826 C GLU B 86 10.214 -0.125 -8.410 1.00 0.00 C ATOM 2827 O GLU B 86 11.220 0.388 -7.928 1.00 0.00 O ATOM 2828 CB GLU B 86 10.620 -2.421 -9.333 1.00 0.00 C ATOM 2829 CG GLU B 86 10.351 -3.919 -9.172 1.00 0.00 C ATOM 2830 CD GLU B 86 11.370 -4.753 -9.940 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.193 -4.879 -11.171 1.00 0.00 O ATOM 2832 OE2 GLU B 86 12.328 -5.215 -9.282 1.00 0.00 O ATOM 0 H GLU B 86 8.251 -2.729 -8.726 1.00 0.00 H new ATOM 0 HA GLU B 86 10.372 -1.899 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU B 86 10.253 -2.084 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.694 -2.237 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU B 86 10.384 -4.185 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU B 86 9.347 -4.150 -9.528 1.00 0.00 H new ATOM 2839 N ALA B 87 9.305 0.569 -9.100 1.00 0.00 N ATOM 2840 CA ALA B 87 9.306 2.015 -9.257 1.00 0.00 C ATOM 2841 C ALA B 87 9.647 2.762 -7.959 1.00 0.00 C ATOM 2842 O ALA B 87 10.392 3.738 -7.990 1.00 0.00 O ATOM 2843 CB ALA B 87 7.934 2.455 -9.773 1.00 0.00 C ATOM 0 H ALA B 87 8.525 0.119 -9.578 1.00 0.00 H new ATOM 0 HA ALA B 87 10.089 2.270 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA B 87 7.921 3.538 -9.895 1.00 0.00 H new ATOM 0 HB2 ALA B 87 7.737 1.979 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.165 2.162 -9.058 1.00 0.00 H new ATOM 2849 N LEU B 88 9.101 2.316 -6.822 1.00 0.00 N ATOM 2850 CA LEU B 88 9.332 2.944 -5.526 1.00 0.00 C ATOM 2851 C LEU B 88 10.774 2.771 -5.042 1.00 0.00 C ATOM 2852 O LEU B 88 11.236 3.566 -4.228 1.00 0.00 O ATOM 2853 CB LEU B 88 8.361 2.378 -4.483 1.00 0.00 C ATOM 2854 CG LEU B 88 6.903 2.821 -4.692 1.00 0.00 C ATOM 2855 CD1 LEU B 88 6.006 2.021 -3.742 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.717 4.318 -4.404 1.00 0.00 C ATOM 0 H LEU B 88 8.484 1.505 -6.780 1.00 0.00 H new ATOM 0 HA LEU B 88 9.156 4.012 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.408 1.289 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.687 2.688 -3.490 1.00 0.00 H new ATOM 0 HG LEU B 88 6.637 2.639 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.968 2.325 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU B 88 6.104 0.957 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.306 2.211 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.674 4.592 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.994 4.527 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.351 4.899 -5.074 1.00 0.00 H new