USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 SER OG : rot 117:sc= 2.37 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.652 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= 0.568 USER MOD Set 3.2: A 81 TYR OH : rot 5:sc= 0.483! USER MOD Set 4.1: A 25 GLN : amide:sc= 0.713 K(o=1.6,f=0.66) USER MOD Set 4.2: A 27 SER OG : rot 101:sc= 0.848 USER MOD Single : A 5 ASN : amide:sc= -1.73 K(o=-1.7,f=-3.3!) USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.694 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 18 ASN : amide:sc= -0.0906 K(o=-0.091,f=-1.6) USER MOD Single : A 23 SER OG : rot -45:sc= 0.245 USER MOD Single : A 26 MET CE :methyl 175:sc= -0.0588 (180deg=-0.178) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 120:sc= -2.28 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.041 K(o=-0.041,f=-2.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 147:sc= -0.0996 (180deg=-0.738) USER MOD Single : A 65 ASN : amide:sc= -0.417 K(o=-0.42,f=-4.5!) USER MOD Single : A 67 THR OG1 : rot -129:sc= -0.3 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.201 X(o=-0.2,f=-0.26) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -5.27! C(o=-6.4!,f=-5.3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.36) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 8.104 4.938 -11.904 1.00 0.00 N ATOM 74 CA ASN A 5 6.979 5.417 -11.101 1.00 0.00 C ATOM 75 C ASN A 5 6.128 4.274 -10.602 1.00 0.00 C ATOM 76 O ASN A 5 4.893 4.261 -10.778 1.00 0.00 O ATOM 77 CB ASN A 5 6.126 6.404 -11.955 1.00 0.00 C ATOM 78 CG ASN A 5 5.780 5.960 -13.380 1.00 0.00 C ATOM 79 OD1 ASN A 5 5.499 4.802 -13.653 1.00 0.00 O ATOM 80 ND2 ASN A 5 5.789 6.849 -14.336 1.00 0.00 N ATOM 0 HA ASN A 5 7.370 5.934 -10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.194 6.596 -11.423 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.661 7.352 -12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.564 6.573 -15.292 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.021 7.820 -14.127 1.00 0.00 H new ATOM 87 N ALA A 6 6.734 3.298 -9.951 1.00 0.00 N ATOM 88 CA ALA A 6 6.007 2.119 -9.481 1.00 0.00 C ATOM 89 C ALA A 6 6.605 1.545 -8.215 1.00 0.00 C ATOM 90 O ALA A 6 7.659 1.957 -7.714 1.00 0.00 O ATOM 91 CB ALA A 6 5.986 1.103 -10.636 1.00 0.00 C ATOM 0 H ALA A 6 7.730 3.293 -9.732 1.00 0.00 H new ATOM 0 HA ALA A 6 4.987 2.390 -9.208 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.450 0.207 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.484 1.543 -11.498 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.008 0.839 -10.907 1.00 0.00 H new ATOM 97 N LEU A 7 5.901 0.569 -7.660 1.00 0.00 N ATOM 98 CA LEU A 7 6.236 -0.022 -6.369 1.00 0.00 C ATOM 99 C LEU A 7 6.050 -1.521 -6.397 1.00 0.00 C ATOM 100 O LEU A 7 4.962 -2.039 -6.696 1.00 0.00 O ATOM 101 CB LEU A 7 5.381 0.621 -5.240 1.00 0.00 C ATOM 102 CG LEU A 7 5.256 -0.116 -3.879 1.00 0.00 C ATOM 103 CD1 LEU A 7 6.631 -0.221 -3.205 1.00 0.00 C ATOM 104 CD2 LEU A 7 4.272 0.574 -2.919 1.00 0.00 C ATOM 0 H LEU A 7 5.074 0.160 -8.095 1.00 0.00 H new ATOM 0 HA LEU A 7 7.287 0.180 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.789 1.612 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.374 0.764 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 7 4.865 -1.110 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.530 -0.740 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.311 -0.777 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.030 0.779 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.224 0.016 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.612 1.590 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.282 0.605 -3.374 1.00 0.00 H new ATOM 116 N GLU A 8 7.111 -2.250 -6.108 1.00 0.00 N ATOM 117 CA GLU A 8 7.044 -3.706 -6.005 1.00 0.00 C ATOM 118 C GLU A 8 6.231 -4.129 -4.804 1.00 0.00 C ATOM 119 O GLU A 8 6.580 -3.838 -3.649 1.00 0.00 O ATOM 120 CB GLU A 8 8.495 -4.260 -5.929 1.00 0.00 C ATOM 121 CG GLU A 8 9.513 -3.760 -7.007 1.00 0.00 C ATOM 122 CD GLU A 8 10.609 -2.783 -6.577 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.339 -3.211 -5.511 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.810 -1.715 -7.143 1.00 0.00 O ATOM 0 H GLU A 8 8.038 -1.860 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 8 6.544 -4.115 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.898 -4.016 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.444 -5.347 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.999 -4.636 -7.436 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.943 -3.288 -7.808 1.00 0.00 H new ATOM 131 N THR A 9 5.136 -4.824 -5.045 1.00 0.00 N ATOM 132 CA THR A 9 4.224 -5.233 -3.976 1.00 0.00 C ATOM 133 C THR A 9 4.129 -6.740 -3.907 1.00 0.00 C ATOM 134 O THR A 9 3.680 -7.407 -4.850 1.00 0.00 O ATOM 135 CB THR A 9 2.816 -4.579 -4.182 1.00 0.00 C ATOM 136 OG1 THR A 9 2.796 -3.799 -5.372 1.00 0.00 O ATOM 137 CG2 THR A 9 2.343 -3.610 -3.078 1.00 0.00 C ATOM 0 H THR A 9 4.849 -5.123 -5.977 1.00 0.00 H new ATOM 0 HA THR A 9 4.620 -4.883 -3.023 1.00 0.00 H new ATOM 0 HB THR A 9 2.155 -5.446 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.112 -4.342 -6.124 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.357 -3.222 -3.332 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.290 -4.140 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.048 -2.783 -2.994 1.00 0.00 H new ATOM 145 N TRP A 10 4.568 -7.306 -2.798 1.00 0.00 N ATOM 146 CA TRP A 10 4.688 -8.756 -2.652 1.00 0.00 C ATOM 147 C TRP A 10 3.582 -9.346 -1.806 1.00 0.00 C ATOM 148 O TRP A 10 2.971 -8.679 -0.960 1.00 0.00 O ATOM 149 CB TRP A 10 6.063 -9.075 -1.995 1.00 0.00 C ATOM 150 CG TRP A 10 7.245 -9.084 -2.970 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.259 -8.107 -3.049 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.488 -9.965 -4.003 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.135 -8.354 -4.124 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.636 -9.512 -4.700 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.809 -11.140 -4.416 1.00 0.00 C ATOM 156 CZ2 TRP A 10 9.100 -10.222 -5.829 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.232 -11.769 -5.587 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.364 -11.321 -6.282 1.00 0.00 C ATOM 0 H TRP A 10 4.852 -6.780 -1.971 1.00 0.00 H new ATOM 0 HA TRP A 10 4.610 -9.202 -3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.258 -8.340 -1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.002 -10.048 -1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.352 -7.273 -2.369 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.947 -7.808 -4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.987 -11.537 -3.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 10.007 -9.922 -6.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.678 -12.616 -5.965 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.672 -11.833 -7.182 1.00 0.00 H new ATOM 169 N GLY A 11 3.321 -10.626 -2.016 1.00 0.00 N ATOM 170 CA GLY A 11 2.378 -11.371 -1.189 1.00 0.00 C ATOM 171 C GLY A 11 2.599 -12.862 -1.299 1.00 0.00 C ATOM 172 O GLY A 11 3.556 -13.347 -1.919 1.00 0.00 O ATOM 0 H GLY A 11 3.752 -11.177 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.483 -11.063 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.359 -11.130 -1.491 1.00 0.00 H new ATOM 176 N ALA A 12 1.719 -13.623 -0.673 1.00 0.00 N ATOM 177 CA ALA A 12 1.694 -15.081 -0.787 1.00 0.00 C ATOM 178 C ALA A 12 0.278 -15.569 -0.993 1.00 0.00 C ATOM 179 O ALA A 12 -0.689 -14.852 -0.634 1.00 0.00 O ATOM 180 CB ALA A 12 2.353 -15.664 0.474 1.00 0.00 C ATOM 0 H ALA A 12 0.992 -13.248 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 12 2.255 -15.418 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.349 -16.752 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.381 -15.309 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.797 -15.345 1.356 1.00 0.00 H new ATOM 186 N LEU A 13 0.086 -16.764 -1.530 1.00 0.00 N ATOM 187 CA LEU A 13 -1.269 -17.204 -1.900 1.00 0.00 C ATOM 188 C LEU A 13 -2.082 -17.692 -0.717 1.00 0.00 C ATOM 189 O LEU A 13 -1.619 -18.390 0.193 1.00 0.00 O ATOM 190 CB LEU A 13 -1.245 -18.303 -3.001 1.00 0.00 C ATOM 191 CG LEU A 13 -0.582 -18.005 -4.371 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.948 -17.875 -4.266 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.925 -19.121 -5.375 1.00 0.00 C ATOM 0 H LEU A 13 0.826 -17.440 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.757 -16.313 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.744 -19.175 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.278 -18.592 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.977 -17.049 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.364 -17.667 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.198 -17.060 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.367 -18.806 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.456 -18.904 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.557 -20.075 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.006 -19.175 -5.504 1.00 0.00 H new ATOM 205 N GLY A 14 -3.348 -17.284 -0.720 1.00 0.00 N ATOM 206 CA GLY A 14 -4.260 -17.529 0.401 1.00 0.00 C ATOM 207 C GLY A 14 -3.962 -16.542 1.510 1.00 0.00 C ATOM 208 O GLY A 14 -4.054 -16.850 2.706 1.00 0.00 O ATOM 0 H GLY A 14 -3.773 -16.775 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.294 -17.425 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.142 -18.550 0.765 1.00 0.00 H new ATOM 212 N GLN A 15 -3.574 -15.336 1.102 1.00 0.00 N ATOM 213 CA GLN A 15 -3.023 -14.389 2.076 1.00 0.00 C ATOM 214 C GLN A 15 -2.954 -12.952 1.607 1.00 0.00 C ATOM 215 O GLN A 15 -2.782 -12.602 0.432 1.00 0.00 O ATOM 216 CB GLN A 15 -1.602 -14.886 2.441 1.00 0.00 C ATOM 217 CG GLN A 15 -0.751 -13.916 3.332 1.00 0.00 C ATOM 218 CD GLN A 15 -0.551 -14.249 4.816 1.00 0.00 C ATOM 219 OE1 GLN A 15 -0.475 -15.406 5.198 1.00 0.00 O ATOM 220 NE2 GLN A 15 -0.465 -13.285 5.697 1.00 0.00 N ATOM 0 H GLN A 15 -3.626 -14.997 0.141 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.701 -14.369 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.693 -15.840 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.055 -15.076 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.236 -13.834 2.878 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.211 -12.929 3.276 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.526 -12.312 5.396 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.337 -13.506 6.684 1.00 0.00 H new ATOM 229 N ASP A 16 -3.010 -12.051 2.586 1.00 0.00 N ATOM 230 CA ASP A 16 -3.133 -10.618 2.350 1.00 0.00 C ATOM 231 C ASP A 16 -1.814 -9.976 1.976 1.00 0.00 C ATOM 232 O ASP A 16 -0.712 -10.452 2.279 1.00 0.00 O ATOM 233 CB ASP A 16 -3.759 -9.930 3.595 1.00 0.00 C ATOM 234 CG ASP A 16 -3.301 -8.495 3.893 1.00 0.00 C ATOM 235 OD1 ASP A 16 -3.625 -7.535 3.211 1.00 0.00 O ATOM 236 OD2 ASP A 16 -2.477 -8.418 4.982 1.00 0.00 O ATOM 0 H ASP A 16 -2.971 -12.300 3.574 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.794 -10.479 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.842 -9.923 3.471 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.542 -10.545 4.469 1.00 0.00 H new ATOM 241 N ILE A 17 -1.920 -8.836 1.310 1.00 0.00 N ATOM 242 CA ILE A 17 -0.782 -7.980 0.990 1.00 0.00 C ATOM 243 C ILE A 17 -1.204 -6.526 1.021 1.00 0.00 C ATOM 244 O ILE A 17 -2.316 -6.178 0.569 1.00 0.00 O ATOM 245 CB ILE A 17 -0.114 -8.390 -0.385 1.00 0.00 C ATOM 246 CG1 ILE A 17 0.462 -7.199 -1.218 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.078 -9.201 -1.306 1.00 0.00 C ATOM 248 CD1 ILE A 17 0.643 -7.465 -2.727 1.00 0.00 C ATOM 0 H ILE A 17 -2.811 -8.472 0.971 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.013 -8.118 1.750 1.00 0.00 H new ATOM 0 HB ILE A 17 0.722 -9.014 -0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.199 -6.341 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.428 -6.920 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.566 -9.455 -2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.383 -10.116 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.959 -8.600 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.048 -6.574 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.331 -8.298 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.322 -7.710 -3.171 1.00 0.00 H new ATOM 260 N ASN A 18 -0.377 -5.648 1.554 1.00 0.00 N ATOM 261 CA ASN A 18 -0.777 -4.258 1.779 1.00 0.00 C ATOM 262 C ASN A 18 -0.177 -3.308 0.763 1.00 0.00 C ATOM 263 O ASN A 18 0.849 -3.556 0.117 1.00 0.00 O ATOM 264 CB ASN A 18 -0.373 -3.838 3.222 1.00 0.00 C ATOM 265 CG ASN A 18 1.095 -4.005 3.625 1.00 0.00 C ATOM 266 OD1 ASN A 18 1.945 -4.420 2.851 1.00 0.00 O ATOM 267 ND2 ASN A 18 1.448 -3.705 4.846 1.00 0.00 N ATOM 0 H ASN A 18 0.577 -5.865 1.842 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.859 -4.197 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.640 -2.790 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.981 -4.412 3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.418 -3.819 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.753 -3.357 5.507 1.00 0.00 H new ATOM 274 N LEU A 19 -0.823 -2.160 0.624 1.00 0.00 N ATOM 275 CA LEU A 19 -0.454 -1.128 -0.340 1.00 0.00 C ATOM 276 C LEU A 19 -0.064 0.150 0.368 1.00 0.00 C ATOM 277 O LEU A 19 -0.783 1.162 0.319 1.00 0.00 O ATOM 278 CB LEU A 19 -1.621 -0.875 -1.339 1.00 0.00 C ATOM 279 CG LEU A 19 -1.954 -1.972 -2.386 1.00 0.00 C ATOM 280 CD1 LEU A 19 -1.303 -1.631 -3.733 1.00 0.00 C ATOM 281 CD2 LEU A 19 -1.516 -3.376 -1.938 1.00 0.00 C ATOM 0 H LEU A 19 -1.636 -1.912 1.189 1.00 0.00 H new ATOM 0 HA LEU A 19 0.410 -1.477 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.523 -0.690 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.399 0.044 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.039 -1.990 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.543 -2.407 -4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.681 -0.672 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.222 -1.571 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.775 -4.101 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.438 -3.387 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.024 -3.637 -1.010 1.00 0.00 H new ATOM 293 N ASP A 20 1.062 0.136 1.057 1.00 0.00 N ATOM 294 CA ASP A 20 1.517 1.281 1.848 1.00 0.00 C ATOM 295 C ASP A 20 2.259 2.255 0.962 1.00 0.00 C ATOM 296 O ASP A 20 3.406 2.037 0.547 1.00 0.00 O ATOM 297 CB ASP A 20 2.366 0.808 3.055 1.00 0.00 C ATOM 298 CG ASP A 20 1.989 -0.547 3.675 1.00 0.00 C ATOM 299 OD1 ASP A 20 0.641 -0.696 3.843 1.00 0.00 O ATOM 300 OD2 ASP A 20 2.815 -1.400 3.963 1.00 0.00 O ATOM 0 H ASP A 20 1.692 -0.666 1.089 1.00 0.00 H new ATOM 0 HA ASP A 20 0.655 1.805 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.408 0.760 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.303 1.568 3.834 1.00 0.00 H new ATOM 305 N ILE A 21 1.586 3.350 0.642 1.00 0.00 N ATOM 306 CA ILE A 21 2.067 4.279 -0.382 1.00 0.00 C ATOM 307 C ILE A 21 2.838 5.476 0.115 1.00 0.00 C ATOM 308 O ILE A 21 3.981 5.744 -0.354 1.00 0.00 O ATOM 309 CB ILE A 21 0.842 4.716 -1.308 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.162 5.762 -2.430 1.00 0.00 C ATOM 311 CG2 ILE A 21 -0.385 5.252 -0.505 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.991 7.008 -2.048 1.00 0.00 C ATOM 0 H ILE A 21 0.703 3.622 1.075 1.00 0.00 H new ATOM 0 HA ILE A 21 2.812 3.727 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 21 0.604 3.770 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.690 5.242 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.215 6.106 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.180 5.530 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.746 4.475 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.087 6.125 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.130 7.636 -2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.465 7.573 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.964 6.695 -1.668 1.00 0.00 H new ATOM 324 N PRO A 22 2.288 6.260 1.017 1.00 0.00 N ATOM 325 CA PRO A 22 2.830 7.618 1.488 1.00 0.00 C ATOM 326 C PRO A 22 3.944 7.619 2.514 1.00 0.00 C ATOM 327 O PRO A 22 4.000 6.809 3.447 1.00 0.00 O ATOM 328 CB PRO A 22 1.639 8.331 2.126 1.00 0.00 C ATOM 329 CG PRO A 22 0.965 7.132 2.814 1.00 0.00 C ATOM 330 CD PRO A 22 1.022 6.028 1.747 1.00 0.00 C ATOM 0 HA PRO A 22 3.273 8.083 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.943 9.103 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.993 8.809 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.494 6.841 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.061 7.359 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.006 5.038 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.165 6.084 1.076 1.00 0.00 H new ATOM 338 N SER A 23 4.875 8.555 2.356 1.00 0.00 N ATOM 339 CA SER A 23 5.928 8.828 3.321 1.00 0.00 C ATOM 340 C SER A 23 5.522 9.931 4.270 1.00 0.00 C ATOM 341 O SER A 23 6.373 10.601 4.885 1.00 0.00 O ATOM 342 CB SER A 23 7.252 9.190 2.596 1.00 0.00 C ATOM 343 OG SER A 23 8.389 9.163 3.463 1.00 0.00 O ATOM 0 H SER A 23 4.917 9.157 1.534 1.00 0.00 H new ATOM 0 HA SER A 23 6.091 7.923 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.412 8.492 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.160 10.184 2.157 1.00 0.00 H new ATOM 0 HG SER A 23 8.172 9.622 4.301 1.00 0.00 H new ATOM 349 N PHE A 24 4.232 10.168 4.401 1.00 0.00 N ATOM 350 CA PHE A 24 3.730 11.333 5.124 1.00 0.00 C ATOM 351 C PHE A 24 2.801 10.937 6.246 1.00 0.00 C ATOM 352 O PHE A 24 2.397 9.774 6.390 1.00 0.00 O ATOM 353 CB PHE A 24 2.959 12.271 4.141 1.00 0.00 C ATOM 354 CG PHE A 24 3.802 13.000 3.083 1.00 0.00 C ATOM 355 CD1 PHE A 24 4.525 12.260 2.141 1.00 0.00 C ATOM 356 CD2 PHE A 24 3.876 14.394 3.066 1.00 0.00 C ATOM 357 CE1 PHE A 24 5.307 12.907 1.190 1.00 0.00 C ATOM 358 CE2 PHE A 24 4.658 15.041 2.113 1.00 0.00 C ATOM 359 CZ PHE A 24 5.370 14.298 1.173 1.00 0.00 C ATOM 0 H PHE A 24 3.503 9.568 4.015 1.00 0.00 H new ATOM 0 HA PHE A 24 4.589 11.849 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.204 11.678 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.429 13.020 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.476 11.181 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.325 14.972 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.864 12.331 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.713 16.120 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.971 14.802 0.431 1.00 0.00 H new ATOM 369 N GLN A 25 2.425 11.913 7.052 1.00 0.00 N ATOM 370 CA GLN A 25 1.465 11.718 8.136 1.00 0.00 C ATOM 371 C GLN A 25 0.465 12.850 8.180 1.00 0.00 C ATOM 372 O GLN A 25 0.776 13.983 8.572 1.00 0.00 O ATOM 373 CB GLN A 25 2.233 11.604 9.470 1.00 0.00 C ATOM 374 CG GLN A 25 1.362 11.588 10.770 1.00 0.00 C ATOM 375 CD GLN A 25 1.356 12.822 11.681 1.00 0.00 C ATOM 376 OE1 GLN A 25 0.809 13.857 11.337 1.00 0.00 O ATOM 377 NE2 GLN A 25 1.939 12.773 12.852 1.00 0.00 N ATOM 0 H GLN A 25 2.775 12.868 6.977 1.00 0.00 H new ATOM 0 HA GLN A 25 0.905 10.799 7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.828 10.691 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.931 12.438 9.536 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.331 11.395 10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.685 10.738 11.371 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.401 11.916 13.156 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.931 13.592 13.460 1.00 0.00 H new ATOM 386 N MET A 26 -0.751 12.559 7.754 1.00 0.00 N ATOM 387 CA MET A 26 -1.791 13.574 7.606 1.00 0.00 C ATOM 388 C MET A 26 -1.971 14.364 8.880 1.00 0.00 C ATOM 389 O MET A 26 -1.593 13.940 9.981 1.00 0.00 O ATOM 390 CB MET A 26 -3.126 12.905 7.177 1.00 0.00 C ATOM 391 CG MET A 26 -3.152 12.308 5.754 1.00 0.00 C ATOM 392 SD MET A 26 -3.020 10.515 5.842 1.00 0.00 S ATOM 393 CE MET A 26 -4.252 10.097 4.599 1.00 0.00 C ATOM 0 H MET A 26 -1.050 11.617 7.500 1.00 0.00 H new ATOM 0 HA MET A 26 -1.482 14.273 6.829 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.358 12.112 7.888 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.923 13.645 7.255 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.076 12.589 5.249 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.330 12.714 5.164 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.257 9.019 4.440 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.236 10.419 4.940 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.010 10.600 3.663 1.00 0.00 H new ATOM 403 N SER A 27 -2.563 15.541 8.746 1.00 0.00 N ATOM 404 CA SER A 27 -2.684 16.466 9.874 1.00 0.00 C ATOM 405 C SER A 27 -3.423 17.733 9.494 1.00 0.00 C ATOM 406 O SER A 27 -4.233 18.289 10.248 1.00 0.00 O ATOM 407 CB SER A 27 -1.289 16.786 10.468 1.00 0.00 C ATOM 408 OG SER A 27 -1.012 16.049 11.664 1.00 0.00 O ATOM 0 H SER A 27 -2.967 15.882 7.874 1.00 0.00 H new ATOM 0 HA SER A 27 -3.280 15.972 10.642 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.523 16.564 9.725 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.226 17.853 10.682 1.00 0.00 H new ATOM 0 HG SER A 27 -0.424 15.293 11.454 1.00 0.00 H new ATOM 414 N ASP A 28 -3.119 18.217 8.300 1.00 0.00 N ATOM 415 CA ASP A 28 -3.632 19.495 7.818 1.00 0.00 C ATOM 416 C ASP A 28 -5.041 19.348 7.294 1.00 0.00 C ATOM 417 O ASP A 28 -6.011 19.329 8.089 1.00 0.00 O ATOM 418 CB ASP A 28 -2.662 20.104 6.769 1.00 0.00 C ATOM 419 CG ASP A 28 -1.832 19.140 5.906 1.00 0.00 C ATOM 420 OD1 ASP A 28 -2.459 17.995 5.505 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.667 19.408 5.579 1.00 0.00 O ATOM 0 H ASP A 28 -2.511 17.737 7.636 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.684 20.195 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.248 20.732 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.970 20.760 7.296 1.00 0.00 H new ATOM 426 N ASP A 29 -5.229 19.219 5.995 1.00 0.00 N ATOM 427 CA ASP A 29 -6.561 19.226 5.390 1.00 0.00 C ATOM 428 C ASP A 29 -6.798 18.026 4.501 1.00 0.00 C ATOM 429 O ASP A 29 -7.751 18.022 3.688 1.00 0.00 O ATOM 430 CB ASP A 29 -6.776 20.556 4.616 1.00 0.00 C ATOM 431 CG ASP A 29 -6.964 21.825 5.460 1.00 0.00 C ATOM 432 OD1 ASP A 29 -6.268 21.789 6.636 1.00 0.00 O ATOM 433 OD2 ASP A 29 -7.650 22.770 5.098 1.00 0.00 O ATOM 0 H ASP A 29 -4.469 19.106 5.324 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.295 19.157 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.920 20.709 3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.652 20.440 3.977 1.00 0.00 H new ATOM 438 N ILE A 30 -6.001 16.982 4.618 1.00 0.00 N ATOM 439 CA ILE A 30 -6.167 15.788 3.786 1.00 0.00 C ATOM 440 C ILE A 30 -7.487 15.114 4.077 1.00 0.00 C ATOM 441 O ILE A 30 -7.782 14.751 5.232 1.00 0.00 O ATOM 442 CB ILE A 30 -4.941 14.799 3.945 1.00 0.00 C ATOM 443 CG1 ILE A 30 -3.553 15.427 3.597 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.106 13.492 3.110 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.526 16.363 2.371 1.00 0.00 C ATOM 0 H ILE A 30 -5.227 16.929 5.281 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.184 16.098 2.741 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.951 14.565 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.201 15.986 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.842 14.618 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.236 12.853 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.003 12.964 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.195 13.744 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.514 16.740 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.840 15.811 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.205 17.200 2.537 1.00 0.00 H new ATOM 457 N ASP A 31 -8.296 14.911 3.054 1.00 0.00 N ATOM 458 CA ASP A 31 -9.661 14.415 3.230 1.00 0.00 C ATOM 459 C ASP A 31 -9.941 13.152 2.449 1.00 0.00 C ATOM 460 O ASP A 31 -10.624 12.230 2.965 1.00 0.00 O ATOM 461 CB ASP A 31 -10.673 15.538 2.860 1.00 0.00 C ATOM 462 CG ASP A 31 -11.932 15.645 3.731 1.00 0.00 C ATOM 463 OD1 ASP A 31 -11.947 15.366 4.921 1.00 0.00 O ATOM 464 OD2 ASP A 31 -13.030 16.056 3.027 1.00 0.00 O ATOM 0 H ASP A 31 -8.035 15.082 2.083 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.778 14.145 4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.150 16.494 2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.986 15.387 1.827 1.00 0.00 H new ATOM 469 N ASP A 32 -9.445 13.019 1.235 1.00 0.00 N ATOM 470 CA ASP A 32 -9.831 11.911 0.358 1.00 0.00 C ATOM 471 C ASP A 32 -8.689 10.946 0.134 1.00 0.00 C ATOM 472 O ASP A 32 -7.500 11.293 0.169 1.00 0.00 O ATOM 473 CB ASP A 32 -10.387 12.468 -0.979 1.00 0.00 C ATOM 474 CG ASP A 32 -11.385 13.631 -0.874 1.00 0.00 C ATOM 475 OD1 ASP A 32 -11.971 13.715 0.359 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.607 14.405 -1.793 1.00 0.00 O ATOM 0 H ASP A 32 -8.770 13.664 0.824 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.620 11.341 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.545 12.795 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.870 11.651 -1.515 1.00 0.00 H new ATOM 481 N ILE A 33 -9.049 9.694 -0.101 1.00 0.00 N ATOM 482 CA ILE A 33 -8.087 8.632 -0.373 1.00 0.00 C ATOM 483 C ILE A 33 -8.603 7.702 -1.447 1.00 0.00 C ATOM 484 O ILE A 33 -9.623 7.017 -1.263 1.00 0.00 O ATOM 485 CB ILE A 33 -7.709 7.843 0.947 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.463 8.740 2.203 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.466 6.920 0.760 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.037 8.205 3.532 1.00 0.00 C ATOM 0 H ILE A 33 -10.020 9.382 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.172 9.094 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.601 7.245 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.388 8.879 2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.892 9.724 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.252 6.404 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.671 6.187 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.605 7.523 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.808 8.905 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.118 8.095 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.591 7.236 3.757 1.00 0.00 H new ATOM 500 N LYS A 34 -7.915 7.634 -2.571 1.00 0.00 N ATOM 501 CA LYS A 34 -8.395 6.871 -3.722 1.00 0.00 C ATOM 502 C LYS A 34 -7.430 5.768 -4.093 1.00 0.00 C ATOM 503 O LYS A 34 -6.209 5.858 -3.904 1.00 0.00 O ATOM 504 CB LYS A 34 -8.623 7.835 -4.919 1.00 0.00 C ATOM 505 CG LYS A 34 -10.094 7.874 -5.409 1.00 0.00 C ATOM 506 CD LYS A 34 -10.980 8.897 -4.692 1.00 0.00 C ATOM 507 CE LYS A 34 -10.579 10.312 -5.130 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.554 10.815 -6.115 1.00 0.00 N ATOM 0 H LYS A 34 -7.018 8.097 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.340 6.395 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.318 8.840 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.980 7.533 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.101 8.092 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.531 6.883 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.029 8.715 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.873 8.794 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.543 10.976 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.579 10.300 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.283 11.774 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.567 10.186 -6.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.501 10.840 -5.685 1.00 0.00 H new ATOM 522 N TRP A 35 -7.973 4.702 -4.655 1.00 0.00 N ATOM 523 CA TRP A 35 -7.184 3.599 -5.194 1.00 0.00 C ATOM 524 C TRP A 35 -7.865 2.997 -6.402 1.00 0.00 C ATOM 525 O TRP A 35 -8.984 2.468 -6.318 1.00 0.00 O ATOM 526 CB TRP A 35 -7.000 2.506 -4.105 1.00 0.00 C ATOM 527 CG TRP A 35 -5.787 2.690 -3.189 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.805 3.348 -1.937 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.510 2.192 -3.341 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.552 3.277 -1.299 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.768 2.556 -2.186 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.906 1.437 -4.381 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.415 2.169 -2.064 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.599 0.981 -4.187 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.864 1.345 -3.049 1.00 0.00 C ATOM 0 H TRP A 35 -8.980 4.573 -4.753 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.210 3.985 -5.496 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.898 2.476 -3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.919 1.537 -4.597 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.671 3.843 -1.523 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.284 3.666 -0.395 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.440 1.222 -5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.819 2.503 -1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.147 0.337 -4.927 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.854 0.982 -2.932 1.00 0.00 H new ATOM 546 N GLU A 36 -7.217 3.077 -7.549 1.00 0.00 N ATOM 547 CA GLU A 36 -7.817 2.624 -8.802 1.00 0.00 C ATOM 548 C GLU A 36 -7.216 1.311 -9.240 1.00 0.00 C ATOM 549 O GLU A 36 -6.121 0.918 -8.795 1.00 0.00 O ATOM 550 CB GLU A 36 -7.609 3.730 -9.874 1.00 0.00 C ATOM 551 CG GLU A 36 -8.314 5.106 -9.627 1.00 0.00 C ATOM 552 CD GLU A 36 -9.128 5.720 -10.768 1.00 0.00 C ATOM 553 OE1 GLU A 36 -9.309 4.881 -11.825 1.00 0.00 O ATOM 554 OE2 GLU A 36 -9.575 6.859 -10.729 1.00 0.00 O ATOM 0 H GLU A 36 -6.273 3.451 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.884 2.452 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.538 3.911 -9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.953 3.341 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.978 4.990 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.547 5.826 -9.341 1.00 0.00 H new ATOM 561 N LYS A 37 -7.894 0.616 -10.134 1.00 0.00 N ATOM 562 CA LYS A 37 -7.397 -0.670 -10.632 1.00 0.00 C ATOM 563 C LYS A 37 -6.766 -0.483 -11.993 1.00 0.00 C ATOM 564 O LYS A 37 -7.449 -0.240 -12.998 1.00 0.00 O ATOM 565 CB LYS A 37 -8.553 -1.704 -10.674 1.00 0.00 C ATOM 566 CG LYS A 37 -8.363 -2.815 -11.736 1.00 0.00 C ATOM 567 CD LYS A 37 -9.401 -3.940 -11.686 1.00 0.00 C ATOM 568 CE LYS A 37 -8.803 -5.149 -10.954 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.855 -5.812 -10.163 1.00 0.00 N ATOM 0 H LYS A 37 -8.785 0.911 -10.533 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.632 -1.054 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.649 -2.167 -9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.488 -1.181 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.390 -2.359 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.371 -3.250 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.300 -3.598 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.698 -4.222 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.377 -5.849 -11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.990 -4.828 -10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.451 -6.632 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.241 -5.142 -9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.616 -6.131 -10.796 1.00 0.00 H new ATOM 583 N THR A 38 -5.451 -0.573 -12.033 1.00 0.00 N ATOM 584 CA THR A 38 -4.685 -0.232 -13.230 1.00 0.00 C ATOM 585 C THR A 38 -5.222 -0.915 -14.468 1.00 0.00 C ATOM 586 O THR A 38 -5.185 -0.362 -15.580 1.00 0.00 O ATOM 587 CB THR A 38 -3.170 -0.584 -13.035 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.963 -1.975 -13.233 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.578 -0.279 -11.642 1.00 0.00 C ATOM 0 H THR A 38 -4.881 -0.882 -11.246 1.00 0.00 H new ATOM 0 HA THR A 38 -4.788 0.843 -13.378 1.00 0.00 H new ATOM 0 HB THR A 38 -2.670 0.053 -13.765 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.335 -2.110 -13.973 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.526 -0.563 -11.624 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.670 0.787 -11.433 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.120 -0.845 -10.884 1.00 0.00 H new ATOM 597 N SER A 39 -5.708 -2.132 -14.310 1.00 0.00 N ATOM 598 CA SER A 39 -6.126 -2.956 -15.443 1.00 0.00 C ATOM 599 C SER A 39 -7.112 -2.223 -16.322 1.00 0.00 C ATOM 600 O SER A 39 -6.778 -1.754 -17.424 1.00 0.00 O ATOM 601 CB SER A 39 -6.695 -4.314 -14.962 1.00 0.00 C ATOM 602 OG SER A 39 -5.849 -4.966 -14.009 1.00 0.00 O ATOM 0 H SER A 39 -5.826 -2.580 -13.402 1.00 0.00 H new ATOM 0 HA SER A 39 -5.244 -3.163 -16.048 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.678 -4.154 -14.518 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.836 -4.968 -15.822 1.00 0.00 H new ATOM 0 HG SER A 39 -6.255 -5.816 -13.738 1.00 0.00 H new ATOM 608 N ASP A 40 -8.349 -2.125 -15.874 1.00 0.00 N ATOM 609 CA ASP A 40 -9.400 -1.478 -16.658 1.00 0.00 C ATOM 610 C ASP A 40 -9.591 -0.031 -16.263 1.00 0.00 C ATOM 611 O ASP A 40 -10.580 0.614 -16.681 1.00 0.00 O ATOM 612 CB ASP A 40 -10.723 -2.281 -16.534 1.00 0.00 C ATOM 613 CG ASP A 40 -10.870 -3.175 -15.294 1.00 0.00 C ATOM 614 OD1 ASP A 40 -10.303 -4.408 -15.459 1.00 0.00 O ATOM 615 OD2 ASP A 40 -11.419 -2.804 -14.267 1.00 0.00 O ATOM 0 H ASP A 40 -8.658 -2.484 -14.970 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.091 -1.475 -17.703 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.553 -1.574 -16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.826 -2.907 -17.420 1.00 0.00 H new ATOM 620 N LYS A 41 -8.685 0.539 -15.492 1.00 0.00 N ATOM 621 CA LYS A 41 -8.873 1.892 -14.960 1.00 0.00 C ATOM 622 C LYS A 41 -10.208 1.998 -14.264 1.00 0.00 C ATOM 623 O LYS A 41 -11.045 2.859 -14.571 1.00 0.00 O ATOM 624 CB LYS A 41 -8.755 2.924 -16.115 1.00 0.00 C ATOM 625 CG LYS A 41 -8.504 4.372 -15.626 1.00 0.00 C ATOM 626 CD LYS A 41 -7.462 5.154 -16.431 1.00 0.00 C ATOM 627 CE LYS A 41 -6.375 5.674 -15.480 1.00 0.00 C ATOM 628 NZ LYS A 41 -5.864 6.963 -15.979 1.00 0.00 N ATOM 0 H LYS A 41 -7.810 0.094 -15.215 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.098 2.107 -14.225 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.941 2.626 -16.776 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.670 2.902 -16.706 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.447 4.918 -15.654 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.186 4.338 -14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.019 4.514 -17.194 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.936 5.987 -16.950 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.782 5.796 -14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.562 4.951 -15.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.127 7.317 -15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.461 6.832 -16.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.643 7.651 -16.025 1.00 0.00 H new ATOM 642 N LYS A 42 -10.422 1.128 -13.292 1.00 0.00 N ATOM 643 CA LYS A 42 -11.722 1.023 -12.632 1.00 0.00 C ATOM 644 C LYS A 42 -11.568 0.942 -11.127 1.00 0.00 C ATOM 645 O LYS A 42 -10.833 0.119 -10.569 1.00 0.00 O ATOM 646 CB LYS A 42 -12.495 -0.205 -13.186 1.00 0.00 C ATOM 647 CG LYS A 42 -13.332 0.115 -14.452 1.00 0.00 C ATOM 648 CD LYS A 42 -14.401 1.196 -14.270 1.00 0.00 C ATOM 649 CE LYS A 42 -15.672 0.562 -13.688 1.00 0.00 C ATOM 650 NZ LYS A 42 -16.198 1.419 -12.611 1.00 0.00 N ATOM 0 H LYS A 42 -9.716 0.482 -12.939 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.297 1.923 -12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.784 -0.997 -13.420 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.156 -0.589 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.654 0.427 -15.247 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.818 -0.801 -14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.034 1.978 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.622 1.669 -15.227 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.422 0.440 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.451 -0.433 -13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.059 0.991 -12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.483 1.513 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.424 2.359 -12.994 1.00 0.00 H new ATOM 664 N LYS A 43 -12.304 1.800 -10.440 1.00 0.00 N ATOM 665 CA LYS A 43 -12.201 2.015 -9.002 1.00 0.00 C ATOM 666 C LYS A 43 -12.072 0.729 -8.208 1.00 0.00 C ATOM 667 O LYS A 43 -12.543 -0.356 -8.570 1.00 0.00 O ATOM 668 CB LYS A 43 -13.446 2.817 -8.518 1.00 0.00 C ATOM 669 CG LYS A 43 -13.551 4.230 -9.147 1.00 0.00 C ATOM 670 CD LYS A 43 -14.947 4.856 -9.088 1.00 0.00 C ATOM 671 CE LYS A 43 -14.834 6.368 -9.328 1.00 0.00 C ATOM 672 NZ LYS A 43 -16.167 6.913 -9.644 1.00 0.00 N ATOM 0 H LYS A 43 -13.013 2.386 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.284 2.577 -8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.348 2.253 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.408 2.912 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.849 4.892 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.237 4.173 -10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.593 4.404 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.404 4.663 -8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.428 6.859 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.144 6.567 -10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.093 7.937 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.537 6.452 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.813 6.735 -8.848 1.00 0.00 H new ATOM 686 N ILE A 44 -11.430 0.857 -7.054 1.00 0.00 N ATOM 687 CA ILE A 44 -11.198 -0.246 -6.128 1.00 0.00 C ATOM 688 C ILE A 44 -11.604 0.144 -4.723 1.00 0.00 C ATOM 689 O ILE A 44 -12.313 -0.575 -4.007 1.00 0.00 O ATOM 690 CB ILE A 44 -9.694 -0.738 -6.182 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.278 -1.465 -7.502 1.00 0.00 C ATOM 692 CG2 ILE A 44 -9.323 -1.668 -4.985 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.773 -1.432 -7.843 1.00 0.00 C ATOM 0 H ILE A 44 -11.049 1.745 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.822 -1.085 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.138 0.198 -6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.593 -2.506 -7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.828 -1.018 -8.330 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.281 -1.975 -5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.465 -1.129 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.964 -2.550 -4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.600 -1.966 -8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.447 -0.397 -7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.208 -1.909 -7.042 1.00 0.00 H new ATOM 705 N ALA A 45 -11.129 1.302 -4.298 1.00 0.00 N ATOM 706 CA ALA A 45 -11.325 1.794 -2.935 1.00 0.00 C ATOM 707 C ALA A 45 -11.254 3.304 -2.906 1.00 0.00 C ATOM 708 O ALA A 45 -10.353 3.907 -3.533 1.00 0.00 O ATOM 709 CB ALA A 45 -10.267 1.128 -2.039 1.00 0.00 C ATOM 0 H ALA A 45 -10.592 1.936 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.314 1.533 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.388 1.476 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.391 0.046 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.271 1.390 -2.396 1.00 0.00 H new ATOM 715 N GLN A 46 -12.172 3.963 -2.225 1.00 0.00 N ATOM 716 CA GLN A 46 -12.246 5.427 -2.265 1.00 0.00 C ATOM 717 C GLN A 46 -12.891 6.011 -1.028 1.00 0.00 C ATOM 718 O GLN A 46 -13.822 5.458 -0.426 1.00 0.00 O ATOM 719 CB GLN A 46 -13.026 5.848 -3.531 1.00 0.00 C ATOM 720 CG GLN A 46 -13.661 7.279 -3.501 1.00 0.00 C ATOM 721 CD GLN A 46 -15.106 7.445 -3.013 1.00 0.00 C ATOM 722 OE1 GLN A 46 -15.351 7.771 -1.863 1.00 0.00 O ATOM 723 NE2 GLN A 46 -16.100 7.261 -3.844 1.00 0.00 N ATOM 0 H GLN A 46 -12.878 3.519 -1.638 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.229 5.819 -2.295 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.352 5.789 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.821 5.123 -3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.028 7.906 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.607 7.683 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.914 6.988 -4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.061 7.390 -3.527 1.00 0.00 H new ATOM 732 N PHE A 47 -12.409 7.180 -0.636 1.00 0.00 N ATOM 733 CA PHE A 47 -12.994 7.972 0.441 1.00 0.00 C ATOM 734 C PHE A 47 -13.182 9.407 0.004 1.00 0.00 C ATOM 735 O PHE A 47 -12.294 10.013 -0.622 1.00 0.00 O ATOM 736 CB PHE A 47 -12.068 7.960 1.697 1.00 0.00 C ATOM 737 CG PHE A 47 -12.492 7.056 2.865 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.813 6.624 3.002 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.551 6.711 3.845 1.00 0.00 C ATOM 740 CE1 PHE A 47 -14.191 5.861 4.103 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.927 5.943 4.941 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.247 5.518 5.071 1.00 0.00 C ATOM 0 H PHE A 47 -11.589 7.613 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.959 7.530 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.070 7.658 1.380 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.989 8.981 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.544 6.883 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.528 7.044 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -15.215 5.535 4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.197 5.676 5.691 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.540 4.922 5.923 1.00 0.00 H new ATOM 752 N ARG A 48 -14.314 9.992 0.342 1.00 0.00 N ATOM 753 CA ARG A 48 -14.599 11.381 -0.017 1.00 0.00 C ATOM 754 C ARG A 48 -15.789 11.903 0.753 1.00 0.00 C ATOM 755 O ARG A 48 -16.941 11.833 0.293 1.00 0.00 O ATOM 756 CB ARG A 48 -14.832 11.463 -1.550 1.00 0.00 C ATOM 757 CG ARG A 48 -15.523 12.764 -2.041 1.00 0.00 C ATOM 758 CD ARG A 48 -14.678 13.527 -3.070 1.00 0.00 C ATOM 759 NE ARG A 48 -15.494 14.643 -3.611 1.00 0.00 N ATOM 760 CZ ARG A 48 -16.225 14.600 -4.717 1.00 0.00 C ATOM 761 NH1 ARG A 48 -16.342 13.552 -5.479 1.00 0.00 N ATOM 762 NH2 ARG A 48 -16.856 15.669 -5.054 1.00 0.00 N ATOM 0 H ARG A 48 -15.058 9.532 0.866 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.750 12.011 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -13.870 11.368 -2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.438 10.610 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.488 12.515 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.721 13.411 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.770 13.912 -2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.366 12.860 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.492 15.518 -3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.853 12.690 -5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.923 13.593 -6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.783 16.507 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.429 15.678 -5.898 1.00 0.00 H new ATOM 776 N LYS A 49 -15.544 12.414 1.945 1.00 0.00 N ATOM 777 CA LYS A 49 -16.619 12.826 2.845 1.00 0.00 C ATOM 778 C LYS A 49 -17.420 11.621 3.285 1.00 0.00 C ATOM 779 O LYS A 49 -17.457 10.570 2.630 1.00 0.00 O ATOM 780 CB LYS A 49 -17.523 13.884 2.155 1.00 0.00 C ATOM 781 CG LYS A 49 -16.734 15.057 1.521 1.00 0.00 C ATOM 782 CD LYS A 49 -17.548 16.337 1.305 1.00 0.00 C ATOM 783 CE LYS A 49 -16.950 17.469 2.151 1.00 0.00 C ATOM 784 NZ LYS A 49 -17.476 18.763 1.682 1.00 0.00 N ATOM 0 H LYS A 49 -14.606 12.557 2.319 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.185 13.285 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.114 13.395 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.225 14.283 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.881 15.289 2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.335 14.731 0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.540 16.613 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.589 16.171 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.199 17.322 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.863 17.458 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.071 19.531 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.217 18.902 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.512 18.771 1.775 1.00 0.00 H new ATOM 798 N GLU A 50 -18.061 11.760 4.436 1.00 0.00 N ATOM 799 CA GLU A 50 -18.979 10.746 4.944 1.00 0.00 C ATOM 800 C GLU A 50 -20.380 10.913 4.397 1.00 0.00 C ATOM 801 O GLU A 50 -21.376 10.801 5.140 1.00 0.00 O ATOM 802 CB GLU A 50 -18.976 10.822 6.498 1.00 0.00 C ATOM 803 CG GLU A 50 -17.598 11.060 7.199 1.00 0.00 C ATOM 804 CD GLU A 50 -17.594 11.559 8.646 1.00 0.00 C ATOM 805 OE1 GLU A 50 -18.633 11.091 9.391 1.00 0.00 O ATOM 806 OE2 GLU A 50 -16.734 12.309 9.089 1.00 0.00 O ATOM 0 H GLU A 50 -17.962 12.574 5.043 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.640 9.765 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -19.651 11.624 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -19.395 9.892 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.044 10.122 7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -17.040 11.778 6.599 1.00 0.00 H new ATOM 813 N LYS A 51 -20.512 11.161 3.110 1.00 0.00 N ATOM 814 CA LYS A 51 -21.814 11.184 2.420 1.00 0.00 C ATOM 815 C LYS A 51 -22.031 10.010 1.466 1.00 0.00 C ATOM 816 O LYS A 51 -23.128 9.754 0.961 1.00 0.00 O ATOM 817 CB LYS A 51 -21.908 12.508 1.614 1.00 0.00 C ATOM 818 CG LYS A 51 -23.296 13.191 1.657 1.00 0.00 C ATOM 819 CD LYS A 51 -23.522 14.249 0.571 1.00 0.00 C ATOM 820 CE LYS A 51 -25.005 14.269 0.177 1.00 0.00 C ATOM 821 NZ LYS A 51 -25.120 14.336 -1.291 1.00 0.00 N ATOM 0 H LYS A 51 -19.721 11.356 2.496 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.586 11.106 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.163 13.205 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.650 12.305 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -24.066 12.425 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.426 13.658 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.218 15.230 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.906 14.028 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.504 13.375 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.502 15.126 0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.124 14.350 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.657 15.201 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.660 13.505 -1.714 1.00 0.00 H new ATOM 835 N GLU A 52 -20.949 9.285 1.253 1.00 0.00 N ATOM 836 CA GLU A 52 -20.901 8.199 0.283 1.00 0.00 C ATOM 837 C GLU A 52 -19.480 7.727 0.073 1.00 0.00 C ATOM 838 O GLU A 52 -18.572 8.515 -0.233 1.00 0.00 O ATOM 839 CB GLU A 52 -21.528 8.695 -1.050 1.00 0.00 C ATOM 840 CG GLU A 52 -21.267 7.834 -2.330 1.00 0.00 C ATOM 841 CD GLU A 52 -22.014 8.200 -3.614 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.350 9.346 -3.884 1.00 0.00 O ATOM 843 OE2 GLU A 52 -22.270 7.135 -4.423 1.00 0.00 O ATOM 0 H GLU A 52 -20.071 9.432 1.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.470 7.348 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.606 8.770 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.161 9.703 -1.241 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.199 7.872 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.507 6.798 -2.089 1.00 0.00 H new ATOM 850 N THR A 53 -19.253 6.439 0.253 1.00 0.00 N ATOM 851 CA THR A 53 -17.905 5.880 0.182 1.00 0.00 C ATOM 852 C THR A 53 -17.891 4.581 -0.591 1.00 0.00 C ATOM 853 O THR A 53 -18.921 3.921 -0.785 1.00 0.00 O ATOM 854 CB THR A 53 -17.320 5.672 1.620 1.00 0.00 C ATOM 855 OG1 THR A 53 -18.315 5.145 2.489 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.807 6.937 2.341 1.00 0.00 C ATOM 0 H THR A 53 -19.983 5.754 0.450 1.00 0.00 H new ATOM 0 HA THR A 53 -17.274 6.592 -0.350 1.00 0.00 H new ATOM 0 HB THR A 53 -16.475 5.008 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.935 5.019 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.427 6.666 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.007 7.390 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.624 7.650 2.451 1.00 0.00 H new ATOM 864 N PHE A 54 -16.707 4.184 -1.024 1.00 0.00 N ATOM 865 CA PHE A 54 -16.534 2.959 -1.799 1.00 0.00 C ATOM 866 C PHE A 54 -15.735 1.938 -1.024 1.00 0.00 C ATOM 867 O PHE A 54 -14.503 2.022 -0.909 1.00 0.00 O ATOM 868 CB PHE A 54 -15.789 3.268 -3.133 1.00 0.00 C ATOM 869 CG PHE A 54 -15.647 2.106 -4.127 1.00 0.00 C ATOM 870 CD1 PHE A 54 -15.190 0.855 -3.704 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.938 2.312 -5.481 1.00 0.00 C ATOM 872 CE1 PHE A 54 -15.053 -0.186 -4.619 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.802 1.271 -6.393 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.367 0.019 -5.961 1.00 0.00 C ATOM 0 H PHE A 54 -15.841 4.695 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.525 2.556 -2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.312 4.083 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.791 3.632 -2.889 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.942 0.695 -2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.269 3.283 -5.818 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.703 -1.153 -4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.033 1.432 -7.436 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.273 -0.793 -6.667 1.00 0.00 H new ATOM 884 N LYS A 55 -16.424 0.943 -0.497 1.00 0.00 N ATOM 885 CA LYS A 55 -15.783 -0.143 0.238 1.00 0.00 C ATOM 886 C LYS A 55 -16.613 -1.404 0.180 1.00 0.00 C ATOM 887 O LYS A 55 -17.559 -1.598 0.962 1.00 0.00 O ATOM 888 CB LYS A 55 -15.549 0.295 1.710 1.00 0.00 C ATOM 889 CG LYS A 55 -14.798 1.642 1.850 1.00 0.00 C ATOM 890 CD LYS A 55 -14.398 2.008 3.283 1.00 0.00 C ATOM 891 CE LYS A 55 -15.664 2.230 4.120 1.00 0.00 C ATOM 892 NZ LYS A 55 -15.472 1.650 5.461 1.00 0.00 N ATOM 0 H LYS A 55 -17.438 0.860 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.822 -0.362 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.513 0.373 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.982 -0.481 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.899 1.607 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.428 2.436 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.794 1.212 3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.785 2.909 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.878 3.296 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -16.522 1.768 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.330 1.800 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.287 0.630 5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.664 2.110 5.926 1.00 0.00 H new ATOM 906 N GLU A 56 -16.270 -2.298 -0.728 1.00 0.00 N ATOM 907 CA GLU A 56 -17.052 -3.514 -0.942 1.00 0.00 C ATOM 908 C GLU A 56 -16.811 -4.523 0.158 1.00 0.00 C ATOM 909 O GLU A 56 -17.749 -5.011 0.810 1.00 0.00 O ATOM 910 CB GLU A 56 -16.681 -4.099 -2.333 1.00 0.00 C ATOM 911 CG GLU A 56 -16.730 -3.127 -3.558 1.00 0.00 C ATOM 912 CD GLU A 56 -16.302 -3.660 -4.927 1.00 0.00 C ATOM 913 OE1 GLU A 56 -14.961 -3.581 -5.151 1.00 0.00 O ATOM 914 OE2 GLU A 56 -17.093 -4.116 -5.742 1.00 0.00 O ATOM 0 H GLU A 56 -15.454 -2.210 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.115 -3.273 -0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.673 -4.509 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.352 -4.933 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.752 -2.759 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.102 -2.267 -3.325 1.00 0.00 H new ATOM 921 N LYS A 57 -15.556 -4.863 0.382 1.00 0.00 N ATOM 922 CA LYS A 57 -15.186 -5.922 1.317 1.00 0.00 C ATOM 923 C LYS A 57 -13.772 -5.729 1.815 1.00 0.00 C ATOM 924 O LYS A 57 -13.050 -4.805 1.417 1.00 0.00 O ATOM 925 CB LYS A 57 -15.354 -7.310 0.635 1.00 0.00 C ATOM 926 CG LYS A 57 -15.279 -7.277 -0.914 1.00 0.00 C ATOM 927 CD LYS A 57 -15.956 -8.462 -1.611 1.00 0.00 C ATOM 928 CE LYS A 57 -16.026 -8.192 -3.120 1.00 0.00 C ATOM 929 NZ LYS A 57 -14.889 -8.850 -3.788 1.00 0.00 N ATOM 0 H LYS A 57 -14.761 -4.417 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.848 -5.877 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.581 -7.981 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.314 -7.733 0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.738 -6.354 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.231 -7.247 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.398 -9.378 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.959 -8.610 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.966 -8.567 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.002 -7.119 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.935 -8.668 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.997 -8.472 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.931 -9.875 -3.616 1.00 0.00 H new ATOM 943 N ASP A 58 -13.362 -6.602 2.724 1.00 0.00 N ATOM 944 CA ASP A 58 -11.984 -6.595 3.212 1.00 0.00 C ATOM 945 C ASP A 58 -10.988 -6.829 2.095 1.00 0.00 C ATOM 946 O ASP A 58 -9.873 -6.289 2.095 1.00 0.00 O ATOM 947 CB ASP A 58 -11.781 -7.641 4.343 1.00 0.00 C ATOM 948 CG ASP A 58 -12.798 -7.669 5.487 1.00 0.00 C ATOM 949 OD1 ASP A 58 -12.634 -6.637 6.371 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.677 -8.514 5.583 1.00 0.00 O ATOM 0 H ASP A 58 -13.956 -7.320 3.138 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.800 -5.602 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.767 -8.630 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.795 -7.476 4.777 1.00 0.00 H new ATOM 955 N THR A 59 -11.392 -7.671 1.155 1.00 0.00 N ATOM 956 CA THR A 59 -10.489 -8.091 0.090 1.00 0.00 C ATOM 957 C THR A 59 -9.905 -6.881 -0.615 1.00 0.00 C ATOM 958 O THR A 59 -8.948 -7.003 -1.396 1.00 0.00 O ATOM 959 CB THR A 59 -11.190 -8.989 -0.994 1.00 0.00 C ATOM 960 OG1 THR A 59 -11.764 -10.153 -0.419 1.00 0.00 O ATOM 961 CG2 THR A 59 -10.275 -9.531 -2.116 1.00 0.00 C ATOM 0 H THR A 59 -12.328 -8.074 1.106 1.00 0.00 H new ATOM 0 HA THR A 59 -9.710 -8.680 0.575 1.00 0.00 H new ATOM 0 HB THR A 59 -11.919 -8.299 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.192 -10.687 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.864 -10.136 -2.805 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.828 -8.696 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.487 -10.143 -1.679 1.00 0.00 H new ATOM 969 N TYR A 60 -10.509 -5.722 -0.436 1.00 0.00 N ATOM 970 CA TYR A 60 -9.937 -4.476 -0.950 1.00 0.00 C ATOM 971 C TYR A 60 -10.283 -3.320 -0.042 1.00 0.00 C ATOM 972 O TYR A 60 -11.312 -2.637 -0.243 1.00 0.00 O ATOM 973 CB TYR A 60 -10.488 -4.142 -2.368 1.00 0.00 C ATOM 974 CG TYR A 60 -9.794 -4.837 -3.546 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.536 -4.416 -3.985 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.422 -5.914 -4.180 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.878 -5.118 -4.993 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.763 -6.613 -5.187 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.493 -6.213 -5.594 1.00 0.00 C ATOM 980 OH TYR A 60 -7.851 -6.896 -6.588 1.00 0.00 O ATOM 0 H TYR A 60 -11.394 -5.609 0.059 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.857 -4.619 -0.996 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.547 -4.400 -2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.419 -3.064 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.073 -3.546 -3.543 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.420 -6.204 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.891 -4.813 -5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.236 -7.465 -5.652 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.418 -7.632 -6.898 1.00 0.00 H new ATOM 990 N LYS A 61 -9.472 -3.049 0.962 1.00 0.00 N ATOM 991 CA LYS A 61 -9.813 -2.050 1.976 1.00 0.00 C ATOM 992 C LYS A 61 -9.014 -0.776 1.813 1.00 0.00 C ATOM 993 O LYS A 61 -7.938 -0.723 1.202 1.00 0.00 O ATOM 994 CB LYS A 61 -9.595 -2.660 3.388 1.00 0.00 C ATOM 995 CG LYS A 61 -10.828 -2.515 4.315 1.00 0.00 C ATOM 996 CD LYS A 61 -10.504 -2.155 5.768 1.00 0.00 C ATOM 997 CE LYS A 61 -9.196 -2.843 6.179 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.503 -4.023 7.006 1.00 0.00 N ATOM 0 H LYS A 61 -8.570 -3.503 1.104 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.861 -1.779 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.348 -3.717 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.738 -2.177 3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.485 -1.749 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.385 -3.452 4.304 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.410 -1.074 5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.316 -2.470 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.635 -3.142 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.566 -2.149 6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.617 -4.491 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.021 -3.725 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.088 -4.687 6.460 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.537 0.294 2.390 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.888 1.601 2.420 1.00 0.00 C ATOM 1014 C LEU A 62 -8.593 2.016 3.843 1.00 0.00 C ATOM 1015 O LEU A 62 -9.491 1.985 4.713 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.778 2.663 1.710 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.166 4.057 1.409 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -7.779 3.900 0.771 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -10.064 4.908 0.496 1.00 0.00 C ATOM 0 H LEU A 62 -10.442 0.281 2.861 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.942 1.530 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.113 2.237 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.666 2.816 2.324 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.079 4.579 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.360 4.885 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.122 3.362 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.868 3.341 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.590 5.873 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.210 4.393 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.030 5.062 0.977 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.374 2.427 4.134 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.987 2.776 5.502 1.00 0.00 C ATOM 1033 C PHE A 63 -6.966 4.274 5.699 1.00 0.00 C ATOM 1034 O PHE A 63 -7.160 5.067 4.767 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.573 2.208 5.829 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.438 0.678 5.847 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.578 -0.116 6.014 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.183 0.070 5.758 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.471 -1.503 6.036 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.076 -1.319 5.786 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.221 -2.104 5.909 1.00 0.00 C ATOM 0 H PHE A 63 -6.628 2.530 3.446 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.727 2.338 6.172 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.868 2.604 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.269 2.589 6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.546 0.350 6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.295 0.678 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.355 -2.112 6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.106 -1.787 5.712 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.139 -3.181 5.906 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.748 4.688 6.935 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.696 6.104 7.286 1.00 0.00 C ATOM 1053 C LYS A 64 -5.424 6.742 6.780 1.00 0.00 C ATOM 1054 O LYS A 64 -5.388 7.929 6.418 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.822 6.262 8.826 1.00 0.00 C ATOM 1056 CG LYS A 64 -6.115 7.527 9.375 1.00 0.00 C ATOM 1057 CD LYS A 64 -6.257 7.743 10.884 1.00 0.00 C ATOM 1058 CE LYS A 64 -5.673 6.534 11.627 1.00 0.00 C ATOM 1059 NZ LYS A 64 -4.283 6.314 11.191 1.00 0.00 N ATOM 0 H LYS A 64 -6.602 4.058 7.724 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.530 6.617 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.878 6.299 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.401 5.381 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.055 7.468 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.513 8.401 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.738 8.654 11.183 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.307 7.874 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.705 6.705 12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.273 5.646 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.725 5.941 11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.269 5.631 10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.872 7.215 10.872 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.349 5.977 6.765 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.044 6.487 6.355 1.00 0.00 C ATOM 1075 C ASN A 65 -2.861 6.447 4.854 1.00 0.00 C ATOM 1076 O ASN A 65 -1.771 6.802 4.346 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.927 5.658 7.058 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.063 4.132 7.006 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.781 3.569 6.193 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.376 3.387 7.897 1.00 0.00 N ATOM 0 H ASN A 65 -4.349 4.993 7.033 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.979 7.533 6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.970 5.929 6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.887 5.960 8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.461 2.371 7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.772 3.840 8.583 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.859 6.039 4.095 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.737 5.946 2.638 1.00 0.00 C ATOM 1088 C GLY A 66 -3.180 4.620 2.182 1.00 0.00 C ATOM 1089 O GLY A 66 -2.678 4.495 1.043 1.00 0.00 O ATOM 0 H GLY A 66 -4.772 5.763 4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.717 6.098 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.092 6.748 2.280 1.00 0.00 H new ATOM 1093 N THR A 67 -3.215 3.603 3.021 1.00 0.00 N ATOM 1094 CA THR A 67 -2.829 2.252 2.616 1.00 0.00 C ATOM 1095 C THR A 67 -4.019 1.486 2.091 1.00 0.00 C ATOM 1096 O THR A 67 -5.161 1.659 2.545 1.00 0.00 O ATOM 1097 CB THR A 67 -2.167 1.493 3.816 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.820 1.912 3.990 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.082 -0.043 3.693 1.00 0.00 C ATOM 0 H THR A 67 -3.508 3.681 3.995 1.00 0.00 H new ATOM 0 HA THR A 67 -2.099 2.331 1.810 1.00 0.00 H new ATOM 0 HB THR A 67 -2.831 1.740 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.235 1.126 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.605 -0.453 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.086 -0.456 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.495 -0.306 2.813 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.777 0.616 1.129 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.812 -0.277 0.613 1.00 0.00 C ATOM 1109 C LEU A 68 -4.412 -1.722 0.786 1.00 0.00 C ATOM 1110 O LEU A 68 -3.311 -2.146 0.398 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.115 0.040 -0.879 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.018 -0.949 -1.666 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.457 -0.413 -1.730 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.502 -1.221 -3.089 1.00 0.00 C ATOM 0 H LEU A 68 -2.867 0.504 0.682 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.723 -0.110 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.580 1.025 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.163 0.114 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.995 -1.896 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.082 -1.114 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.848 -0.299 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.463 0.554 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.172 -1.919 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.466 -0.286 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.502 -1.652 -3.037 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.283 -2.512 1.391 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.009 -3.932 1.596 1.00 0.00 C ATOM 1128 C LYS A 69 -5.793 -4.778 0.621 1.00 0.00 C ATOM 1129 O LYS A 69 -6.916 -4.444 0.216 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.327 -4.315 3.069 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.802 -4.679 3.362 1.00 0.00 C ATOM 1132 CD LYS A 69 -7.001 -5.993 4.125 1.00 0.00 C ATOM 1133 CE LYS A 69 -6.502 -5.821 5.566 1.00 0.00 C ATOM 1134 NZ LYS A 69 -7.221 -6.756 6.450 1.00 0.00 N ATOM 0 H LYS A 69 -6.185 -2.199 1.750 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.953 -4.124 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.700 -5.162 3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.043 -3.482 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.254 -3.870 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.341 -4.739 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.055 -6.272 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.457 -6.799 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.429 -6.009 5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.662 -4.795 5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.883 -6.640 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.241 -6.556 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.047 -7.733 6.137 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.193 -5.872 0.193 1.00 0.00 N ATOM 1149 CA ILE A 70 -5.886 -6.885 -0.613 1.00 0.00 C ATOM 1150 C ILE A 70 -6.013 -8.152 0.204 1.00 0.00 C ATOM 1151 O ILE A 70 -5.049 -8.955 0.266 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.199 -7.120 -2.020 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -4.675 -5.825 -2.723 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.128 -7.870 -3.025 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.570 -6.031 -3.778 1.00 0.00 C ATOM 0 H ILE A 70 -4.216 -6.092 0.388 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.886 -6.525 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.337 -7.736 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.519 -5.328 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.298 -5.147 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.606 -8.004 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.394 -8.845 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.033 -7.286 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.284 -5.067 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.702 -6.494 -3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.942 -6.678 -4.573 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.148 -8.408 0.823 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.229 -9.462 1.843 1.00 0.00 C ATOM 1169 C LYS A 71 -7.283 -10.883 1.314 1.00 0.00 C ATOM 1170 O LYS A 71 -8.021 -11.251 0.392 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.470 -9.192 2.745 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.371 -9.893 4.126 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.692 -10.031 4.887 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.642 -11.291 5.762 1.00 0.00 C ATOM 1175 NZ LYS A 71 -10.987 -11.572 6.295 1.00 0.00 N ATOM 0 H LYS A 71 -8.023 -7.914 0.649 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.294 -9.407 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.578 -8.118 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.368 -9.535 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.949 -10.887 3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.669 -9.337 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.862 -9.150 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.524 -10.093 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.286 -12.139 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.937 -11.150 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.954 -12.426 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.309 -10.765 6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.648 -11.724 5.507 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.487 -11.742 1.940 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.502 -13.192 1.783 1.00 0.00 C ATOM 1191 C HIS A 72 -6.716 -13.672 0.366 1.00 0.00 C ATOM 1192 O HIS A 72 -7.873 -13.893 -0.058 1.00 0.00 O ATOM 1193 CB HIS A 72 -7.674 -13.679 2.667 1.00 0.00 C ATOM 1194 CG HIS A 72 -7.939 -15.149 2.532 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.075 -16.172 2.914 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.119 -15.652 2.001 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -7.822 -17.241 2.579 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -9.048 -17.021 2.031 1.00 0.00 N ATOM 0 H HIS A 72 -5.778 -11.431 2.604 1.00 0.00 H new ATOM 0 HA HIS A 72 -5.527 -13.589 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.455 -13.449 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.576 -13.127 2.402 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.144 -16.125 3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.948 -15.067 1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.458 -18.245 2.741 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.657 -13.878 -0.396 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.770 -14.527 -1.697 1.00 0.00 C ATOM 1209 C LEU A 73 -4.455 -14.703 -2.444 1.00 0.00 C ATOM 1210 O LEU A 73 -3.351 -14.301 -2.061 1.00 0.00 O ATOM 1211 CB LEU A 73 -6.780 -13.753 -2.600 1.00 0.00 C ATOM 1212 CG LEU A 73 -8.137 -14.459 -2.897 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -9.232 -13.429 -3.190 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -8.039 -15.462 -4.058 1.00 0.00 C ATOM 0 H LEU A 73 -4.708 -13.607 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.128 -15.534 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.992 -12.793 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.292 -13.540 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.398 -15.021 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.171 -13.944 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.357 -12.776 -2.327 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.948 -12.833 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.012 -15.925 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.727 -14.941 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.308 -16.232 -3.813 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.576 -15.377 -3.591 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.465 -15.819 -4.430 1.00 0.00 C ATOM 1228 C LYS A 74 -3.166 -14.868 -5.570 1.00 0.00 C ATOM 1229 O LYS A 74 -3.436 -13.660 -5.520 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.789 -17.242 -4.984 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.055 -17.881 -4.362 1.00 0.00 C ATOM 1232 CD LYS A 74 -5.282 -19.356 -4.706 1.00 0.00 C ATOM 1233 CE LYS A 74 -6.458 -19.471 -5.685 1.00 0.00 C ATOM 1234 NZ LYS A 74 -7.728 -19.352 -4.946 1.00 0.00 N ATOM 0 H LYS A 74 -5.485 -15.638 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.569 -15.841 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.918 -17.180 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.936 -17.896 -4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.996 -17.783 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.926 -17.311 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.381 -19.781 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.491 -19.925 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.392 -18.690 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.418 -20.427 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.525 -19.430 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.791 -20.112 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.766 -18.430 -4.467 1.00 0.00 H new ATOM 1248 N THR A 75 -2.555 -15.405 -6.613 1.00 0.00 N ATOM 1249 CA THR A 75 -2.273 -14.656 -7.838 1.00 0.00 C ATOM 1250 C THR A 75 -3.458 -13.837 -8.309 1.00 0.00 C ATOM 1251 O THR A 75 -3.318 -12.814 -8.992 1.00 0.00 O ATOM 1252 CB THR A 75 -1.806 -15.630 -8.974 1.00 0.00 C ATOM 1253 OG1 THR A 75 -0.642 -16.341 -8.573 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.418 -14.979 -10.319 1.00 0.00 C ATOM 0 H THR A 75 -2.238 -16.374 -6.640 1.00 0.00 H new ATOM 0 HA THR A 75 -1.472 -13.955 -7.603 1.00 0.00 H new ATOM 0 HB THR A 75 -2.689 -16.251 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.364 -16.946 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.113 -15.753 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.275 -14.439 -10.722 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.592 -14.285 -10.162 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.643 -14.303 -7.960 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.886 -13.644 -8.350 1.00 0.00 C ATOM 1264 C ASP A 76 -5.994 -12.267 -7.733 1.00 0.00 C ATOM 1265 O ASP A 76 -6.308 -11.269 -8.396 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.102 -14.533 -7.980 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.627 -15.491 -9.059 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.557 -14.910 -9.875 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.262 -16.653 -9.154 1.00 0.00 O ATOM 0 H ASP A 76 -4.776 -15.145 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.881 -13.509 -9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.834 -15.125 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.921 -13.878 -7.683 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.757 -12.204 -6.435 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.691 -10.938 -5.710 1.00 0.00 C ATOM 1276 C ASP A 77 -4.451 -10.146 -6.058 1.00 0.00 C ATOM 1277 O ASP A 77 -4.329 -8.959 -5.678 1.00 0.00 O ATOM 1278 CB ASP A 77 -5.791 -11.198 -4.182 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.136 -10.872 -3.518 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.198 -10.878 -4.127 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -7.015 -10.556 -2.194 1.00 0.00 O ATOM 0 H ASP A 77 -5.604 -13.026 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.540 -10.328 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.566 -12.249 -3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.015 -10.615 -3.685 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.496 -10.737 -6.749 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.278 -10.028 -7.152 1.00 0.00 C ATOM 1288 C GLN A 78 -2.488 -9.338 -8.478 1.00 0.00 C ATOM 1289 O GLN A 78 -2.477 -9.947 -9.557 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.113 -11.055 -7.164 1.00 0.00 C ATOM 1291 CG GLN A 78 0.195 -10.728 -7.965 1.00 0.00 C ATOM 1292 CD GLN A 78 0.464 -11.506 -9.267 1.00 0.00 C ATOM 1293 OE1 GLN A 78 1.550 -12.225 -9.379 1.00 0.00 O flip ATOM 1294 NE2 GLN A 78 -0.331 -11.483 -10.193 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.532 -11.711 -7.049 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.025 -9.236 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.825 -11.235 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.508 -11.993 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.179 -9.666 -8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.043 -10.890 -7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.183 -10.927 -10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.144 -12.020 -11.040 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.734 -8.037 -8.414 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.937 -7.190 -9.584 1.00 0.00 C ATOM 1305 C ASP A 79 -2.174 -5.887 -9.467 1.00 0.00 C ATOM 1306 O ASP A 79 -1.658 -5.501 -8.409 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.450 -6.917 -9.811 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.448 -7.976 -9.332 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.068 -9.249 -9.657 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.485 -7.702 -8.745 1.00 0.00 O ATOM 0 H ASP A 79 -2.800 -7.530 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.547 -7.727 -10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.698 -5.977 -9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.607 -6.768 -10.879 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.116 -5.160 -10.572 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.493 -3.839 -10.597 1.00 0.00 C ATOM 1317 C ILE A 80 -2.475 -2.775 -10.149 1.00 0.00 C ATOM 1318 O ILE A 80 -3.678 -2.810 -10.442 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.856 -3.537 -12.016 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.356 -4.447 -12.405 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.402 -2.052 -12.172 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.855 -4.309 -13.858 1.00 0.00 C ATOM 0 H ILE A 80 -2.494 -5.462 -11.470 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.669 -3.825 -9.883 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.679 -3.760 -12.695 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.185 -4.224 -11.733 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.076 -5.486 -12.233 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.026 -1.905 -13.163 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.262 -1.394 -12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.347 -1.819 -11.415 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.696 -4.983 -14.019 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.048 -4.564 -14.545 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.174 -3.282 -14.037 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.967 -1.804 -9.412 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.774 -0.784 -8.750 1.00 0.00 C ATOM 1336 C TYR A 81 -2.144 0.580 -8.899 1.00 0.00 C ATOM 1337 O TYR A 81 -1.001 0.728 -9.354 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.902 -1.111 -7.226 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.582 -2.453 -6.916 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -4.973 -2.565 -6.887 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -2.791 -3.578 -6.678 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -5.567 -3.795 -6.607 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -3.385 -4.800 -6.379 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.773 -4.909 -6.351 1.00 0.00 C ATOM 1345 OH TYR A 81 -5.356 -6.111 -6.066 1.00 0.00 O ATOM 0 H TYR A 81 -0.965 -1.696 -9.251 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.758 -0.779 -9.218 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.906 -1.112 -6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.465 -0.313 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.589 -1.699 -7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.715 -3.500 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.643 -3.883 -6.589 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.770 -5.663 -6.169 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.329 -6.032 -6.153 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.896 1.603 -8.543 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.380 2.968 -8.496 1.00 0.00 C ATOM 1357 C LYS A 82 -3.109 3.771 -7.446 1.00 0.00 C ATOM 1358 O LYS A 82 -4.346 3.709 -7.324 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.516 3.622 -9.897 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.908 5.044 -9.977 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.904 6.184 -9.745 1.00 0.00 C ATOM 1362 CE LYS A 82 -3.348 6.751 -11.100 1.00 0.00 C ATOM 1363 NZ LYS A 82 -2.336 7.704 -11.587 1.00 0.00 N ATOM 0 H LYS A 82 -3.877 1.518 -8.278 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.325 2.947 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.029 2.985 -10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.571 3.671 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.109 5.124 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.451 5.174 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.768 5.820 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.444 6.967 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.478 5.943 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.313 7.248 -11.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.635 8.089 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.233 8.480 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.424 7.216 -11.697 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.375 4.531 -6.657 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.948 5.227 -5.506 1.00 0.00 C ATOM 1379 C VAL A 83 -2.825 6.727 -5.647 1.00 0.00 C ATOM 1380 O VAL A 83 -1.754 7.286 -5.923 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.245 4.712 -4.185 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.706 4.518 -4.257 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.490 5.611 -2.949 1.00 0.00 C ATOM 0 H VAL A 83 -1.375 4.687 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.014 5.005 -5.453 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.728 3.740 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.339 4.163 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.467 3.786 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.230 5.468 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.975 5.190 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.108 6.613 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.559 5.664 -2.744 1.00 0.00 H new ATOM 1393 N SER A 84 -3.942 7.412 -5.478 1.00 0.00 N ATOM 1394 CA SER A 84 -4.010 8.870 -5.527 1.00 0.00 C ATOM 1395 C SER A 84 -4.838 9.400 -4.379 1.00 0.00 C ATOM 1396 O SER A 84 -6.074 9.303 -4.366 1.00 0.00 O ATOM 1397 CB SER A 84 -4.548 9.346 -6.901 1.00 0.00 C ATOM 1398 OG SER A 84 -5.943 9.076 -7.074 1.00 0.00 O ATOM 0 H SER A 84 -4.843 6.969 -5.300 1.00 0.00 H new ATOM 0 HA SER A 84 -3.004 9.274 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.375 10.417 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.986 8.855 -7.696 1.00 0.00 H new ATOM 0 HG SER A 84 -6.431 9.921 -7.161 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.168 9.990 -3.408 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.828 10.421 -2.172 1.00 0.00 C ATOM 1406 C ILE A 85 -4.868 11.930 -2.115 1.00 0.00 C ATOM 1407 O ILE A 85 -3.805 12.594 -2.115 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.159 9.749 -0.905 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.527 8.338 -1.173 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.138 9.637 0.307 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -4.505 7.251 -1.662 1.00 0.00 C ATOM 0 H ILE A 85 -3.168 10.186 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.863 10.078 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.348 10.434 -0.660 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.736 8.449 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.056 7.990 -0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.625 9.169 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.474 10.633 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.999 9.031 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.964 6.317 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.284 7.100 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.959 7.566 -2.602 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.039 12.530 -2.068 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.207 13.967 -2.277 1.00 0.00 C ATOM 1425 C TYR A 86 -6.588 14.697 -1.011 1.00 0.00 C ATOM 1426 O TYR A 86 -6.881 14.112 0.041 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.330 14.213 -3.334 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.207 13.426 -4.647 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -6.151 12.533 -4.864 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.178 13.598 -5.638 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -6.083 11.809 -6.052 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -8.102 12.879 -6.827 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.052 11.988 -7.035 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.981 11.282 -8.203 1.00 0.00 O ATOM 0 H TYR A 86 -6.913 12.037 -1.883 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.246 14.351 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.290 13.971 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.350 15.276 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.389 12.405 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.990 14.292 -5.480 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.277 11.108 -6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.857 13.012 -7.588 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.736 11.526 -8.779 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.571 16.019 -1.100 1.00 0.00 N ATOM 1445 CA ASP A 87 -6.927 16.889 0.016 1.00 0.00 C ATOM 1446 C ASP A 87 -8.387 17.278 -0.049 1.00 0.00 C ATOM 1447 O ASP A 87 -9.189 16.706 -0.800 1.00 0.00 O ATOM 1448 CB ASP A 87 -5.986 18.124 0.050 1.00 0.00 C ATOM 1449 CG ASP A 87 -5.898 18.958 -1.238 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.514 18.682 -2.257 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -5.083 20.048 -1.106 1.00 0.00 O ATOM 0 H ASP A 87 -6.310 16.521 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.790 16.346 0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.312 18.779 0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.983 17.781 0.303 1.00 0.00 H new ATOM 1456 N THR A 88 -8.754 18.247 0.770 1.00 0.00 N ATOM 1457 CA THR A 88 -10.098 18.817 0.754 1.00 0.00 C ATOM 1458 C THR A 88 -10.443 19.416 -0.591 1.00 0.00 C ATOM 1459 O THR A 88 -11.628 19.489 -0.976 1.00 0.00 O ATOM 1460 CB THR A 88 -10.248 19.895 1.882 1.00 0.00 C ATOM 1461 OG1 THR A 88 -9.206 20.858 1.790 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.173 19.381 3.336 1.00 0.00 C ATOM 0 H THR A 88 -8.134 18.663 1.465 1.00 0.00 H new ATOM 0 HA THR A 88 -10.799 18.003 0.940 1.00 0.00 H new ATOM 0 HB THR A 88 -11.249 20.287 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.314 21.525 2.499 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.290 20.218 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.969 18.657 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.207 18.905 3.504 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.454 19.878 -1.333 1.00 0.00 N ATOM 1471 CA LYS A 89 -9.700 20.607 -2.577 1.00 0.00 C ATOM 1472 C LYS A 89 -9.752 19.697 -3.784 1.00 0.00 C ATOM 1473 O LYS A 89 -9.885 20.191 -4.931 1.00 0.00 O ATOM 1474 CB LYS A 89 -8.594 21.686 -2.757 1.00 0.00 C ATOM 1475 CG LYS A 89 -8.449 22.631 -1.539 1.00 0.00 C ATOM 1476 CD LYS A 89 -7.369 23.707 -1.685 1.00 0.00 C ATOM 1477 CE LYS A 89 -7.500 24.373 -3.061 1.00 0.00 C ATOM 1478 NZ LYS A 89 -6.647 25.574 -3.107 1.00 0.00 N ATOM 0 H LYS A 89 -8.467 19.764 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.680 21.078 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.640 21.191 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.818 22.280 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.407 23.120 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.227 22.031 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.473 24.452 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.380 23.263 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.206 23.675 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.539 24.644 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.735 26.027 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.947 26.242 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.656 25.302 -2.946 1.00 0.00 H new ATOM 1492 N GLY A 90 -9.658 18.392 -3.619 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.783 17.459 -4.737 1.00 0.00 C ATOM 1494 C GLY A 90 -8.499 17.305 -5.515 1.00 0.00 C ATOM 1495 O GLY A 90 -8.463 16.582 -6.537 1.00 0.00 O ATOM 0 H GLY A 90 -9.494 17.945 -2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.093 16.485 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.570 17.805 -5.407 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.427 17.959 -5.114 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.132 17.817 -5.783 1.00 0.00 C ATOM 1501 C LYS A 91 -5.402 16.574 -5.338 1.00 0.00 C ATOM 1502 O LYS A 91 -5.392 16.212 -4.152 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.269 19.080 -5.489 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.181 20.060 -6.683 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.073 21.540 -6.303 1.00 0.00 C ATOM 1506 CE LYS A 91 -4.199 22.263 -7.338 1.00 0.00 C ATOM 1507 NZ LYS A 91 -4.024 23.670 -6.935 1.00 0.00 N ATOM 0 H LYS A 91 -7.420 18.601 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.307 17.721 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.687 19.604 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.263 18.766 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.316 19.793 -7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.063 19.925 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.064 21.992 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.640 21.642 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.229 21.773 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.664 22.210 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.432 24.161 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.953 24.134 -6.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.563 23.710 -6.004 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.748 15.911 -6.274 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.873 14.786 -5.947 1.00 0.00 C ATOM 1523 C ASN A 92 -2.606 15.281 -5.287 1.00 0.00 C ATOM 1524 O ASN A 92 -1.582 15.529 -5.941 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.554 13.980 -7.239 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.428 14.774 -8.544 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.393 15.338 -8.867 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -4.455 14.829 -9.348 1.00 0.00 N ATOM 0 H ASN A 92 -4.802 16.128 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.380 14.126 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.620 13.441 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.335 13.232 -7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.386 15.337 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.327 14.364 -9.094 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.661 15.455 -3.980 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.567 16.070 -3.225 1.00 0.00 C ATOM 1537 C VAL A 93 -0.409 15.119 -2.997 1.00 0.00 C ATOM 1538 O VAL A 93 0.745 15.519 -2.795 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.119 16.608 -1.846 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.527 17.266 -1.877 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.196 15.531 -0.737 1.00 0.00 C ATOM 0 H VAL A 93 -3.458 15.178 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.178 16.897 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.368 17.367 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.797 17.595 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.513 18.124 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.260 16.541 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.584 15.978 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.858 14.726 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.200 15.129 -0.550 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.710 13.837 -3.051 1.00 0.00 N ATOM 1552 CA LEU A 94 0.302 12.783 -2.988 1.00 0.00 C ATOM 1553 C LEU A 94 -0.148 11.599 -3.810 1.00 0.00 C ATOM 1554 O LEU A 94 -1.337 11.258 -3.880 1.00 0.00 O ATOM 1555 CB LEU A 94 0.611 12.434 -1.499 1.00 0.00 C ATOM 1556 CG LEU A 94 1.403 11.151 -1.113 1.00 0.00 C ATOM 1557 CD1 LEU A 94 0.875 9.907 -1.833 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.916 11.291 -1.345 1.00 0.00 C ATOM 0 H LEU A 94 -1.664 13.488 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 94 1.241 13.124 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.156 13.281 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.346 12.384 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 94 1.242 11.024 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.459 9.037 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.171 9.751 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.961 10.046 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.415 10.366 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.105 11.494 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.302 12.113 -0.743 1.00 0.00 H new ATOM 1570 N GLU A 95 0.811 10.931 -4.434 1.00 0.00 N ATOM 1571 CA GLU A 95 0.488 9.886 -5.404 1.00 0.00 C ATOM 1572 C GLU A 95 1.592 8.862 -5.556 1.00 0.00 C ATOM 1573 O GLU A 95 2.750 9.048 -5.160 1.00 0.00 O ATOM 1574 CB GLU A 95 0.184 10.574 -6.766 1.00 0.00 C ATOM 1575 CG GLU A 95 0.268 9.693 -8.056 1.00 0.00 C ATOM 1576 CD GLU A 95 1.545 9.756 -8.898 1.00 0.00 C ATOM 1577 OE1 GLU A 95 1.880 11.016 -9.291 1.00 0.00 O ATOM 1578 OE2 GLU A 95 2.201 8.764 -9.188 1.00 0.00 O ATOM 0 H GLU A 95 1.809 11.088 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.380 9.334 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.819 10.997 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.876 11.408 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.116 8.655 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.568 9.966 -8.700 1.00 0.00 H new ATOM 1585 N LYS A 96 1.230 7.745 -6.173 1.00 0.00 N ATOM 1586 CA LYS A 96 2.179 6.695 -6.528 1.00 0.00 C ATOM 1587 C LYS A 96 1.482 5.566 -7.254 1.00 0.00 C ATOM 1588 O LYS A 96 0.253 5.398 -7.156 1.00 0.00 O ATOM 1589 CB LYS A 96 2.883 6.180 -5.243 1.00 0.00 C ATOM 1590 CG LYS A 96 4.396 6.504 -5.164 1.00 0.00 C ATOM 1591 CD LYS A 96 5.170 5.698 -4.116 1.00 0.00 C ATOM 1592 CE LYS A 96 6.662 6.047 -4.204 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.943 7.215 -3.351 1.00 0.00 N ATOM 0 H LYS A 96 0.268 7.540 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 96 2.931 7.105 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.386 6.612 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.752 5.100 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.843 6.326 -6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.515 7.565 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.792 5.920 -3.118 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.025 4.631 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.265 5.197 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.936 6.263 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.954 7.453 -3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.377 8.025 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.696 6.993 -2.365 1.00 0.00 H new ATOM 1607 N ILE A 97 2.229 4.785 -8.011 1.00 0.00 N ATOM 1608 CA ILE A 97 1.673 3.660 -8.765 1.00 0.00 C ATOM 1609 C ILE A 97 2.180 2.350 -8.210 1.00 0.00 C ATOM 1610 O ILE A 97 3.229 2.298 -7.536 1.00 0.00 O ATOM 1611 CB ILE A 97 1.954 3.819 -10.314 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.250 5.285 -10.769 1.00 0.00 C ATOM 1613 CG2 ILE A 97 0.800 3.259 -11.201 1.00 0.00 C ATOM 1614 CD1 ILE A 97 2.805 5.454 -12.198 1.00 0.00 C ATOM 0 H ILE A 97 3.235 4.906 -8.125 1.00 0.00 H new ATOM 0 HA ILE A 97 0.589 3.658 -8.648 1.00 0.00 H new ATOM 0 HB ILE A 97 2.857 3.226 -10.462 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.329 5.862 -10.689 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.962 5.724 -10.070 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.050 3.396 -12.253 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.666 2.197 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.124 3.792 -10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.971 6.512 -12.401 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.748 4.915 -12.288 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.089 5.055 -12.916 1.00 0.00 H new ATOM 1626 N PHE A 98 1.485 1.262 -8.483 1.00 0.00 N ATOM 1627 CA PHE A 98 1.795 -0.020 -7.849 1.00 0.00 C ATOM 1628 C PHE A 98 1.725 -1.186 -8.806 1.00 0.00 C ATOM 1629 O PHE A 98 1.218 -1.099 -9.932 1.00 0.00 O ATOM 1630 CB PHE A 98 0.775 -0.270 -6.689 1.00 0.00 C ATOM 1631 CG PHE A 98 1.025 0.548 -5.413 1.00 0.00 C ATOM 1632 CD1 PHE A 98 1.220 1.933 -5.490 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.125 -0.095 -4.175 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.552 2.654 -4.347 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.458 0.628 -3.035 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.683 1.999 -3.124 1.00 0.00 C ATOM 0 H PHE A 98 0.703 1.233 -9.137 1.00 0.00 H new ATOM 0 HA PHE A 98 2.820 0.043 -7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.228 -0.048 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.793 -1.329 -6.432 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.113 2.441 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.943 -1.157 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.708 3.721 -4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.542 0.127 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.960 2.557 -2.242 1.00 0.00 H new ATOM 1646 N ASP A 99 2.225 -2.327 -8.345 1.00 0.00 N ATOM 1647 CA ASP A 99 2.236 -3.537 -9.163 1.00 0.00 C ATOM 1648 C ASP A 99 2.319 -4.792 -8.320 1.00 0.00 C ATOM 1649 O ASP A 99 3.326 -5.089 -7.662 1.00 0.00 O ATOM 1650 CB ASP A 99 3.390 -3.470 -10.197 1.00 0.00 C ATOM 1651 CG ASP A 99 3.172 -4.219 -11.519 1.00 0.00 C ATOM 1652 OD1 ASP A 99 2.716 -5.495 -11.335 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.368 -3.712 -12.614 1.00 0.00 O ATOM 0 H ASP A 99 2.626 -2.441 -7.414 1.00 0.00 H new ATOM 0 HA ASP A 99 1.290 -3.588 -9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.581 -2.422 -10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.292 -3.863 -9.727 1.00 0.00 H new ATOM 1658 N LEU A 100 1.258 -5.576 -8.354 1.00 0.00 N ATOM 1659 CA LEU A 100 1.194 -6.892 -7.729 1.00 0.00 C ATOM 1660 C LEU A 100 2.424 -7.755 -7.907 1.00 0.00 C ATOM 1661 O LEU A 100 3.256 -7.592 -8.807 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.023 -7.688 -8.331 1.00 0.00 C ATOM 1663 CG LEU A 100 0.088 -8.024 -9.850 1.00 0.00 C ATOM 1664 CD1 LEU A 100 0.211 -6.727 -10.675 1.00 0.00 C ATOM 1665 CD2 LEU A 100 1.267 -8.946 -10.219 1.00 0.00 C ATOM 0 H LEU A 100 0.394 -5.313 -8.827 1.00 0.00 H new ATOM 0 HA LEU A 100 1.098 -6.692 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.137 -8.620 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.931 -7.108 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.827 -8.567 -10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.288 -6.975 -11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.670 -6.106 -10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.102 -6.181 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.266 -9.126 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.205 -8.470 -9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.165 -9.895 -9.692 1.00 0.00 H new ATOM 1677 N LYS A 101 2.524 -8.746 -7.035 1.00 0.00 N ATOM 1678 CA LYS A 101 3.430 -9.876 -7.173 1.00 0.00 C ATOM 1679 C LYS A 101 2.967 -11.040 -6.313 1.00 0.00 C ATOM 1680 O LYS A 101 2.064 -10.934 -5.472 1.00 0.00 O ATOM 1681 CB LYS A 101 4.901 -9.532 -6.783 1.00 0.00 C ATOM 1682 CG LYS A 101 5.555 -8.368 -7.565 1.00 0.00 C ATOM 1683 CD LYS A 101 6.557 -8.796 -8.641 1.00 0.00 C ATOM 1684 CE LYS A 101 5.862 -8.798 -10.009 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.729 -9.465 -10.997 1.00 0.00 N ATOM 0 H LYS A 101 1.960 -8.788 -6.186 1.00 0.00 H new ATOM 0 HA LYS A 101 3.412 -10.144 -8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.927 -9.290 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.511 -10.425 -6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.768 -7.779 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.063 -7.714 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.408 -8.115 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.947 -9.789 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.904 -9.314 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.652 -7.776 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.260 -9.467 -11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.632 -8.954 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.908 -10.445 -10.697 1.00 0.00 H new ATOM 1699 N ILE A 102 3.619 -12.169 -6.504 1.00 0.00 N ATOM 1700 CA ILE A 102 3.481 -13.333 -5.633 1.00 0.00 C ATOM 1701 C ILE A 102 4.773 -14.126 -5.640 1.00 0.00 C ATOM 1702 O ILE A 102 5.402 -14.361 -6.680 1.00 0.00 O ATOM 1703 CB ILE A 102 2.237 -14.246 -5.972 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.903 -13.456 -6.197 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.972 -15.331 -4.883 1.00 0.00 C ATOM 1706 CD1 ILE A 102 0.107 -13.109 -4.920 1.00 0.00 C ATOM 0 H ILE A 102 4.269 -12.312 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 102 3.285 -12.959 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 102 2.523 -14.718 -6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.135 -12.529 -6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.261 -14.042 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.106 -15.929 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.845 -15.977 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.779 -14.846 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.797 -12.563 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.166 -14.028 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.721 -12.491 -4.265 1.00 0.00 H new ATOM 1718 N GLN A 103 5.153 -14.576 -4.455 1.00 0.00 N ATOM 1719 CA GLN A 103 6.466 -15.180 -4.253 1.00 0.00 C ATOM 1720 C GLN A 103 6.396 -16.691 -4.228 1.00 0.00 C ATOM 1721 O GLN A 103 5.849 -17.322 -3.314 1.00 0.00 O ATOM 1722 CB GLN A 103 7.076 -14.648 -2.933 1.00 0.00 C ATOM 1723 CG GLN A 103 6.279 -14.992 -1.632 1.00 0.00 C ATOM 1724 CD GLN A 103 6.665 -14.327 -0.307 1.00 0.00 C ATOM 1725 OE1 GLN A 103 7.405 -13.355 -0.280 1.00 0.00 O ATOM 1726 NE2 GLN A 103 6.221 -14.813 0.824 1.00 0.00 N ATOM 0 H GLN A 103 4.573 -14.536 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 103 7.101 -14.902 -5.094 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.086 -15.046 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.166 -13.564 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.231 -14.758 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.344 -16.070 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.602 -15.624 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 103 6.494 -14.381 1.707 1.00 0.00 H new