USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 41 ASN : amide:sc= 0.763 K(o=1.2,f=-0.024) USER MOD Set 1.2: A 43 THR OG1 : rot 86:sc= 0.427 USER MOD Set 1.3: A 67 THR OG1 : rot 146:sc= 0.0216 USER MOD Set 1.4: A 68 HIS : no HD1:sc= -0.0125 K(o=1.2,f=-0.053) USER MOD Set 2.1: A 12 GLN : amide:sc= 0.742 K(o=1.5,f=-1) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.797 K(o=1.5,f=-0.44) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.065) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.917 K(o=0.92,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0935 X(o=-0.093,f=-0.093) USER MOD Single : A 17 HIS : no HE2:sc= 0.897 K(o=0.9,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0.889 K(o=0.89,f=-0.22) USER MOD Single : A 23 ASN : amide:sc= 1.32 K(o=1.3,f=-0.52) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00686 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 1.28 (180deg=1.08) USER MOD Single : A 47 TYR OH : rot 110:sc= 0.381 USER MOD Single : A 48 CYS SG : rot -121:sc= -0.409 USER MOD Single : A 53 GLN : amide:sc= 0.972 K(o=0.97,f=-6.3!) USER MOD Single : A 54 SER OG : rot 177:sc= 0.687 USER MOD Single : A 56 GLN : amide:sc= 0.309 X(o=0.31,f=-0.039) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= 1.81 (180deg=0.66) USER MOD Single : A 62 SER OG : rot 94:sc= 1.25 USER MOD Single : A 64 MET CE :methyl 170:sc= 0 (180deg=-0.132) USER MOD Single : A 66 TYR OH : rot 173:sc= 1.23 USER MOD Single : A 71 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.045) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 2.22 (180deg=2.06) USER MOD Single : A 84 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.457 -0.285 1.149 1.00 0.00 N ATOM 2 CA ALA A 1 -0.251 -0.363 -0.316 1.00 0.00 C ATOM 3 C ALA A 1 0.677 -1.536 -0.666 1.00 0.00 C ATOM 4 O ALA A 1 1.803 -1.326 -1.123 1.00 0.00 O ATOM 5 CB ALA A 1 0.266 0.980 -0.872 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.087 0.513 1.369 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.888 -1.169 1.487 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.459 -0.144 1.621 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.211 -0.554 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.409 0.897 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.461 1.765 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.215 1.229 -0.398 1.00 0.00 H new ATOM 13 N GLU A 2 0.224 -2.782 -0.486 1.00 0.00 N ATOM 14 CA GLU A 2 0.933 -3.988 -0.903 1.00 0.00 C ATOM 15 C GLU A 2 -0.120 -5.065 -1.207 1.00 0.00 C ATOM 16 O GLU A 2 -1.150 -5.127 -0.526 1.00 0.00 O ATOM 17 CB GLU A 2 1.867 -4.446 0.239 1.00 0.00 C ATOM 18 CG GLU A 2 2.708 -5.693 -0.085 1.00 0.00 C ATOM 19 CD GLU A 2 3.480 -6.204 1.143 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.577 -5.678 1.435 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.024 -7.173 1.791 1.00 0.00 O ATOM 0 H GLU A 2 -0.669 -2.980 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 2 1.540 -3.804 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.539 -3.626 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.265 -4.650 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.056 -6.483 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.412 -5.458 -0.883 1.00 0.00 H new ATOM 28 N HIS A 3 0.174 -5.945 -2.164 1.00 0.00 N ATOM 29 CA HIS A 3 -0.555 -7.170 -2.467 1.00 0.00 C ATOM 30 C HIS A 3 0.476 -8.214 -2.883 1.00 0.00 C ATOM 31 O HIS A 3 1.584 -7.868 -3.295 1.00 0.00 O ATOM 32 CB HIS A 3 -1.547 -6.980 -3.628 1.00 0.00 C ATOM 33 CG HIS A 3 -2.713 -6.068 -3.344 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.698 -6.245 -2.396 1.00 0.00 N ATOM 35 CD2 HIS A 3 -3.037 -4.946 -4.055 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.584 -5.242 -2.527 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.228 -4.421 -3.534 1.00 0.00 N ATOM 0 H HIS A 3 0.974 -5.811 -2.782 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.125 -7.470 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.003 -6.588 -4.487 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.935 -7.957 -3.915 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.472 -4.534 -4.878 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.461 -5.112 -1.910 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.723 -3.588 -3.852 1.00 0.00 H new ATOM 45 N TRP A 4 0.092 -9.487 -2.857 1.00 0.00 N ATOM 46 CA TRP A 4 0.925 -10.580 -3.328 1.00 0.00 C ATOM 47 C TRP A 4 0.097 -11.331 -4.357 1.00 0.00 C ATOM 48 O TRP A 4 -1.030 -11.736 -4.059 1.00 0.00 O ATOM 49 CB TRP A 4 1.307 -11.496 -2.160 1.00 0.00 C ATOM 50 CG TRP A 4 2.275 -10.941 -1.157 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.022 -9.936 -0.289 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.649 -11.361 -0.879 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.133 -9.688 0.484 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.163 -10.556 0.184 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.512 -12.345 -1.412 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.459 -10.725 0.694 1.00 0.00 C ATOM 57 CZ3 TRP A 4 5.811 -12.528 -0.901 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.286 -11.721 0.149 1.00 0.00 C ATOM 0 H TRP A 4 -0.816 -9.788 -2.504 1.00 0.00 H new ATOM 0 HA TRP A 4 1.855 -10.217 -3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.394 -11.775 -1.634 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.731 -12.412 -2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.085 -9.405 -0.213 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.188 -8.954 1.190 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.169 -12.967 -2.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.817 -10.097 1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.448 -13.294 -1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.284 -11.867 0.535 1.00 0.00 H new ATOM 69 N ILE A 5 0.646 -11.505 -5.557 1.00 0.00 N ATOM 70 CA ILE A 5 -0.055 -12.081 -6.692 1.00 0.00 C ATOM 71 C ILE A 5 0.791 -13.267 -7.132 1.00 0.00 C ATOM 72 O ILE A 5 1.898 -13.121 -7.654 1.00 0.00 O ATOM 73 CB ILE A 5 -0.296 -11.036 -7.808 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.049 -9.775 -7.318 1.00 0.00 C ATOM 75 CG2 ILE A 5 -1.052 -11.672 -8.990 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.493 -9.979 -6.847 1.00 0.00 C ATOM 0 H ILE A 5 1.609 -11.243 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.060 -12.414 -6.431 1.00 0.00 H new ATOM 0 HB ILE A 5 0.691 -10.707 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.481 -9.337 -6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.054 -9.045 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.212 -10.922 -9.765 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.464 -12.495 -9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.015 -12.049 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.911 -9.024 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.089 -10.381 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.508 -10.677 -6.010 1.00 0.00 H new ATOM 88 N ASP A 6 0.270 -14.451 -6.853 1.00 0.00 N ATOM 89 CA ASP A 6 0.802 -15.711 -7.314 1.00 0.00 C ATOM 90 C ASP A 6 0.468 -15.838 -8.802 1.00 0.00 C ATOM 91 O ASP A 6 -0.664 -16.173 -9.151 1.00 0.00 O ATOM 92 CB ASP A 6 0.171 -16.832 -6.493 1.00 0.00 C ATOM 93 CG ASP A 6 0.716 -18.183 -6.916 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.927 -18.439 -6.756 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.081 -19.032 -7.352 1.00 0.00 O ATOM 0 H ASP A 6 -0.565 -14.558 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 6 1.883 -15.771 -7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.371 -16.670 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.912 -16.816 -6.619 1.00 0.00 H new ATOM 100 N VAL A 7 1.421 -15.514 -9.682 1.00 0.00 N ATOM 101 CA VAL A 7 1.262 -15.517 -11.142 1.00 0.00 C ATOM 102 C VAL A 7 1.313 -16.942 -11.735 1.00 0.00 C ATOM 103 O VAL A 7 1.380 -17.132 -12.953 1.00 0.00 O ATOM 104 CB VAL A 7 2.271 -14.550 -11.804 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.186 -13.138 -11.200 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.736 -15.013 -11.753 1.00 0.00 C ATOM 0 H VAL A 7 2.357 -15.233 -9.389 1.00 0.00 H new ATOM 0 HA VAL A 7 0.263 -15.145 -11.371 1.00 0.00 H new ATOM 0 HB VAL A 7 1.970 -14.540 -12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.910 -12.488 -11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.182 -12.739 -11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.405 -13.185 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.369 -14.272 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.046 -15.127 -10.714 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.834 -15.969 -12.268 1.00 0.00 H new ATOM 116 N ARG A 8 1.378 -17.946 -10.861 1.00 0.00 N ATOM 117 CA ARG A 8 1.570 -19.362 -11.142 1.00 0.00 C ATOM 118 C ARG A 8 0.313 -19.971 -11.764 1.00 0.00 C ATOM 119 O ARG A 8 -0.784 -19.416 -11.639 1.00 0.00 O ATOM 120 CB ARG A 8 1.790 -20.007 -9.770 1.00 0.00 C ATOM 121 CG ARG A 8 2.397 -21.414 -9.688 1.00 0.00 C ATOM 122 CD ARG A 8 1.993 -22.105 -8.377 1.00 0.00 C ATOM 123 NE ARG A 8 2.100 -21.213 -7.214 1.00 0.00 N ATOM 124 CZ ARG A 8 2.081 -21.553 -5.928 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.208 -22.806 -5.516 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.917 -20.600 -5.031 1.00 0.00 N ATOM 0 H ARG A 8 1.290 -17.773 -9.860 1.00 0.00 H new ATOM 0 HA ARG A 8 2.396 -19.518 -11.837 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.431 -19.340 -9.194 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.825 -20.037 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.062 -22.010 -10.537 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.483 -21.351 -9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.968 -22.465 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.626 -22.978 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 8 2.200 -20.218 -7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.326 -23.557 -6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.187 -23.020 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.809 -19.631 -5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.898 -20.832 -4.038 1.00 0.00 H new ATOM 140 N VAL A 9 0.459 -21.160 -12.352 1.00 0.00 N ATOM 141 CA VAL A 9 -0.685 -21.979 -12.735 1.00 0.00 C ATOM 142 C VAL A 9 -1.548 -22.243 -11.483 1.00 0.00 C ATOM 143 O VAL A 9 -0.995 -22.436 -10.393 1.00 0.00 O ATOM 144 CB VAL A 9 -0.230 -23.274 -13.444 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.471 -22.942 -14.770 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.700 -24.163 -12.597 1.00 0.00 C ATOM 0 H VAL A 9 1.364 -21.576 -12.573 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.300 -21.449 -13.463 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.143 -23.843 -13.618 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.785 -23.865 -15.257 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.218 -22.405 -15.421 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.344 -22.320 -14.574 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.973 -25.051 -13.167 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.601 -23.606 -12.340 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.185 -24.462 -11.684 1.00 0.00 H new ATOM 156 N PRO A 10 -2.885 -22.238 -11.602 1.00 0.00 N ATOM 157 CA PRO A 10 -3.767 -22.225 -10.444 1.00 0.00 C ATOM 158 C PRO A 10 -3.764 -23.537 -9.653 1.00 0.00 C ATOM 159 O PRO A 10 -3.964 -23.499 -8.440 1.00 0.00 O ATOM 160 CB PRO A 10 -5.149 -21.874 -11.004 1.00 0.00 C ATOM 161 CG PRO A 10 -5.104 -22.404 -12.434 1.00 0.00 C ATOM 162 CD PRO A 10 -3.658 -22.120 -12.831 1.00 0.00 C ATOM 0 HA PRO A 10 -3.430 -21.497 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.946 -22.344 -10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.330 -20.799 -10.981 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.339 -23.467 -12.483 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.814 -21.890 -13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.311 -22.830 -13.582 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.558 -21.124 -13.263 1.00 0.00 H new ATOM 170 N GLU A 11 -3.524 -24.693 -10.282 1.00 0.00 N ATOM 171 CA GLU A 11 -3.631 -25.985 -9.603 1.00 0.00 C ATOM 172 C GLU A 11 -2.589 -26.099 -8.484 1.00 0.00 C ATOM 173 O GLU A 11 -2.898 -26.576 -7.390 1.00 0.00 O ATOM 174 CB GLU A 11 -3.470 -27.156 -10.590 1.00 0.00 C ATOM 175 CG GLU A 11 -4.492 -27.166 -11.743 1.00 0.00 C ATOM 176 CD GLU A 11 -3.988 -26.489 -13.035 1.00 0.00 C ATOM 177 OE1 GLU A 11 -3.288 -25.456 -12.963 1.00 0.00 O ATOM 178 OE2 GLU A 11 -4.308 -26.992 -14.138 1.00 0.00 O ATOM 0 H GLU A 11 -3.254 -24.758 -11.263 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.628 -26.041 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.466 -27.123 -11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.554 -28.093 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.761 -28.198 -11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.401 -26.664 -11.413 1.00 0.00 H new ATOM 185 N GLN A 12 -1.368 -25.620 -8.739 1.00 0.00 N ATOM 186 CA GLN A 12 -0.264 -25.666 -7.785 1.00 0.00 C ATOM 187 C GLN A 12 -0.458 -24.676 -6.633 1.00 0.00 C ATOM 188 O GLN A 12 0.210 -24.833 -5.616 1.00 0.00 O ATOM 189 CB GLN A 12 1.064 -25.413 -8.514 1.00 0.00 C ATOM 190 CG GLN A 12 1.506 -26.586 -9.404 1.00 0.00 C ATOM 191 CD GLN A 12 2.849 -26.316 -10.092 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.745 -25.681 -9.537 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.028 -26.784 -11.316 1.00 0.00 N ATOM 0 H GLN A 12 -1.119 -25.184 -9.627 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.242 -26.661 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.968 -24.517 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.842 -25.213 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.585 -27.489 -8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.744 -26.774 -10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.284 -27.310 -11.775 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.910 -26.619 -11.801 1.00 0.00 H new ATOM 202 N TYR A 13 -1.360 -23.691 -6.726 1.00 0.00 N ATOM 203 CA TYR A 13 -1.633 -22.777 -5.613 1.00 0.00 C ATOM 204 C TYR A 13 -2.106 -23.549 -4.375 1.00 0.00 C ATOM 205 O TYR A 13 -1.788 -23.179 -3.246 1.00 0.00 O ATOM 206 CB TYR A 13 -2.682 -21.744 -6.043 1.00 0.00 C ATOM 207 CG TYR A 13 -2.927 -20.615 -5.058 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.897 -19.700 -4.777 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.203 -20.424 -4.490 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.147 -18.568 -3.984 1.00 0.00 C ATOM 211 CE2 TYR A 13 -4.451 -19.313 -3.662 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.423 -18.373 -3.414 1.00 0.00 C ATOM 213 OH TYR A 13 -3.646 -17.275 -2.641 1.00 0.00 O ATOM 0 H TYR A 13 -1.913 -23.507 -7.563 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.712 -22.259 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.373 -21.312 -6.995 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.625 -22.261 -6.219 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.907 -19.869 -5.174 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.993 -21.133 -4.691 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.362 -17.847 -3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.425 -19.178 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.573 -17.282 -2.322 1.00 0.00 H new ATOM 223 N GLN A 14 -2.815 -24.664 -4.584 1.00 0.00 N ATOM 224 CA GLN A 14 -3.274 -25.549 -3.519 1.00 0.00 C ATOM 225 C GLN A 14 -2.100 -26.146 -2.730 1.00 0.00 C ATOM 226 O GLN A 14 -2.260 -26.470 -1.553 1.00 0.00 O ATOM 227 CB GLN A 14 -4.100 -26.693 -4.131 1.00 0.00 C ATOM 228 CG GLN A 14 -5.323 -26.226 -4.940 1.00 0.00 C ATOM 229 CD GLN A 14 -5.987 -27.400 -5.661 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.076 -27.844 -5.302 1.00 0.00 O ATOM 231 NE2 GLN A 14 -5.342 -27.932 -6.687 1.00 0.00 N ATOM 0 H GLN A 14 -3.088 -24.978 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.881 -24.960 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.454 -27.286 -4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.438 -27.351 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.043 -25.750 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.016 -25.475 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.439 -27.553 -6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.748 -28.721 -7.191 1.00 0.00 H new ATOM 240 N GLN A 15 -0.941 -26.326 -3.373 1.00 0.00 N ATOM 241 CA GLN A 15 0.173 -27.070 -2.809 1.00 0.00 C ATOM 242 C GLN A 15 0.898 -26.236 -1.749 1.00 0.00 C ATOM 243 O GLN A 15 1.172 -26.737 -0.659 1.00 0.00 O ATOM 244 CB GLN A 15 1.114 -27.531 -3.942 1.00 0.00 C ATOM 245 CG GLN A 15 0.457 -28.505 -4.937 1.00 0.00 C ATOM 246 CD GLN A 15 -0.025 -29.801 -4.283 1.00 0.00 C ATOM 247 OE1 GLN A 15 -1.221 -30.024 -4.118 1.00 0.00 O ATOM 248 NE2 GLN A 15 0.885 -30.684 -3.900 1.00 0.00 N ATOM 0 H GLN A 15 -0.756 -25.954 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.199 -27.961 -2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.469 -26.656 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.989 -28.010 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.389 -28.010 -5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.171 -28.747 -5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.876 -30.489 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.595 -31.559 -3.463 1.00 0.00 H new ATOM 257 N GLU A 16 1.166 -24.961 -2.037 1.00 0.00 N ATOM 258 CA GLU A 16 1.830 -24.024 -1.131 1.00 0.00 C ATOM 259 C GLU A 16 1.522 -22.612 -1.628 1.00 0.00 C ATOM 260 O GLU A 16 1.620 -22.369 -2.833 1.00 0.00 O ATOM 261 CB GLU A 16 3.353 -24.295 -1.136 1.00 0.00 C ATOM 262 CG GLU A 16 4.120 -23.532 -0.045 1.00 0.00 C ATOM 263 CD GLU A 16 5.569 -24.030 0.112 1.00 0.00 C ATOM 264 OE1 GLU A 16 5.775 -25.178 0.567 1.00 0.00 O ATOM 265 OE2 GLU A 16 6.511 -23.245 -0.134 1.00 0.00 O ATOM 0 H GLU A 16 0.920 -24.540 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 16 1.475 -24.141 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.523 -25.364 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.758 -24.023 -2.111 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.128 -22.469 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.597 -23.639 0.905 1.00 0.00 H new ATOM 272 N HIS A 17 1.191 -21.669 -0.744 1.00 0.00 N ATOM 273 CA HIS A 17 1.053 -20.256 -1.088 1.00 0.00 C ATOM 274 C HIS A 17 1.290 -19.373 0.134 1.00 0.00 C ATOM 275 O HIS A 17 1.164 -19.830 1.269 1.00 0.00 O ATOM 276 CB HIS A 17 -0.319 -19.977 -1.715 1.00 0.00 C ATOM 277 CG HIS A 17 -1.533 -20.353 -0.902 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.251 -21.519 -1.022 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.235 -19.538 -0.054 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.352 -21.415 -0.262 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.391 -20.219 0.354 1.00 0.00 N ATOM 0 H HIS A 17 1.010 -21.868 0.240 1.00 0.00 H new ATOM 0 HA HIS A 17 1.814 -20.012 -1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.378 -18.912 -1.940 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.371 -20.507 -2.666 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -1.991 -22.325 -1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.948 -18.542 0.249 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.103 -22.184 -0.159 1.00 0.00 H new ATOM 289 N VAL A 18 1.647 -18.110 -0.101 1.00 0.00 N ATOM 290 CA VAL A 18 1.852 -17.107 0.938 1.00 0.00 C ATOM 291 C VAL A 18 0.484 -16.734 1.528 1.00 0.00 C ATOM 292 O VAL A 18 -0.501 -16.601 0.795 1.00 0.00 O ATOM 293 CB VAL A 18 2.596 -15.891 0.335 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.831 -14.783 1.368 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.968 -16.304 -0.229 1.00 0.00 C ATOM 0 H VAL A 18 1.805 -17.750 -1.042 1.00 0.00 H new ATOM 0 HA VAL A 18 2.473 -17.491 1.747 1.00 0.00 H new ATOM 0 HB VAL A 18 1.953 -15.513 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.356 -13.952 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.872 -14.435 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.432 -15.173 2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.468 -15.430 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.578 -16.724 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.830 -17.051 -1.011 1.00 0.00 H new ATOM 305 N GLN A 19 0.418 -16.554 2.850 1.00 0.00 N ATOM 306 CA GLN A 19 -0.795 -16.127 3.544 1.00 0.00 C ATOM 307 C GLN A 19 -1.274 -14.778 2.988 1.00 0.00 C ATOM 308 O GLN A 19 -0.481 -13.849 2.821 1.00 0.00 O ATOM 309 CB GLN A 19 -0.532 -16.032 5.059 1.00 0.00 C ATOM 310 CG GLN A 19 -0.455 -17.422 5.709 1.00 0.00 C ATOM 311 CD GLN A 19 -0.056 -17.412 7.186 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.199 -16.420 7.898 1.00 0.00 O ATOM 313 NE2 GLN A 19 0.456 -18.528 7.684 1.00 0.00 N ATOM 0 H GLN A 19 1.213 -16.702 3.472 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.580 -16.865 3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.401 -15.496 5.234 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.326 -15.453 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.425 -17.909 5.611 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.263 -18.028 5.156 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.572 -19.347 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.735 -18.568 8.664 1.00 0.00 H new ATOM 322 N GLY A 20 -2.580 -14.666 2.727 1.00 0.00 N ATOM 323 CA GLY A 20 -3.227 -13.425 2.306 1.00 0.00 C ATOM 324 C GLY A 20 -2.978 -13.048 0.841 1.00 0.00 C ATOM 325 O GLY A 20 -3.418 -11.977 0.415 1.00 0.00 O ATOM 0 H GLY A 20 -3.227 -15.451 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.301 -13.516 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.877 -12.612 2.942 1.00 0.00 H new ATOM 329 N ALA A 21 -2.279 -13.886 0.067 1.00 0.00 N ATOM 330 CA ALA A 21 -2.062 -13.669 -1.359 1.00 0.00 C ATOM 331 C ALA A 21 -3.345 -13.903 -2.173 1.00 0.00 C ATOM 332 O ALA A 21 -4.368 -14.356 -1.649 1.00 0.00 O ATOM 333 CB ALA A 21 -0.951 -14.608 -1.836 1.00 0.00 C ATOM 0 H ALA A 21 -1.846 -14.740 0.420 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.769 -12.631 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.779 -14.456 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.034 -14.396 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.248 -15.642 -1.661 1.00 0.00 H new ATOM 339 N ILE A 22 -3.251 -13.640 -3.477 1.00 0.00 N ATOM 340 CA ILE A 22 -4.238 -13.974 -4.499 1.00 0.00 C ATOM 341 C ILE A 22 -3.504 -14.866 -5.508 1.00 0.00 C ATOM 342 O ILE A 22 -2.299 -14.690 -5.703 1.00 0.00 O ATOM 343 CB ILE A 22 -4.751 -12.698 -5.228 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.821 -11.396 -4.392 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.108 -12.959 -5.909 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.863 -11.384 -3.265 1.00 0.00 C ATOM 0 H ILE A 22 -2.439 -13.162 -3.868 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.103 -14.464 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.973 -12.504 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.839 -11.213 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.031 -10.565 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.444 -12.052 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.000 -13.760 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.842 -13.251 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.826 -10.427 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.857 -11.529 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.647 -12.188 -2.561 1.00 0.00 H new ATOM 358 N ASN A 23 -4.212 -15.761 -6.202 1.00 0.00 N ATOM 359 CA ASN A 23 -3.679 -16.447 -7.380 1.00 0.00 C ATOM 360 C ASN A 23 -4.450 -15.938 -8.576 1.00 0.00 C ATOM 361 O ASN A 23 -5.683 -15.904 -8.559 1.00 0.00 O ATOM 362 CB ASN A 23 -3.777 -17.978 -7.316 1.00 0.00 C ATOM 363 CG ASN A 23 -3.514 -18.605 -8.692 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.428 -18.756 -9.496 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.282 -18.951 -9.019 1.00 0.00 N ATOM 0 H ASN A 23 -5.167 -16.029 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.613 -16.229 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.056 -18.362 -6.594 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.767 -18.268 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.090 -19.344 -9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.522 -18.825 -8.350 1.00 0.00 H new ATOM 372 N ILE A 24 -3.706 -15.568 -9.609 1.00 0.00 N ATOM 373 CA ILE A 24 -4.237 -15.259 -10.921 1.00 0.00 C ATOM 374 C ILE A 24 -3.128 -15.742 -11.863 1.00 0.00 C ATOM 375 O ILE A 24 -1.993 -15.304 -11.685 1.00 0.00 O ATOM 376 CB ILE A 24 -4.518 -13.740 -11.088 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.231 -13.050 -9.901 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.282 -13.551 -12.398 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.370 -11.527 -10.035 1.00 0.00 C ATOM 0 H ILE A 24 -2.692 -15.473 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.199 -15.734 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.552 -13.235 -11.110 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.225 -13.484 -9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.682 -13.272 -8.986 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.495 -12.492 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.678 -13.918 -13.228 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.218 -14.107 -12.357 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.881 -11.130 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.380 -11.077 -10.113 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.947 -11.292 -10.929 1.00 0.00 H new ATOM 391 N PRO A 25 -3.382 -16.634 -12.832 1.00 0.00 N ATOM 392 CA PRO A 25 -2.332 -17.070 -13.743 1.00 0.00 C ATOM 393 C PRO A 25 -1.883 -15.879 -14.599 1.00 0.00 C ATOM 394 O PRO A 25 -2.696 -15.014 -14.932 1.00 0.00 O ATOM 395 CB PRO A 25 -2.951 -18.221 -14.540 1.00 0.00 C ATOM 396 CG PRO A 25 -4.449 -17.914 -14.525 1.00 0.00 C ATOM 397 CD PRO A 25 -4.658 -17.244 -13.166 1.00 0.00 C ATOM 0 HA PRO A 25 -1.426 -17.422 -13.250 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.561 -18.258 -15.557 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.736 -19.186 -14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.733 -17.255 -15.346 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.046 -18.821 -14.623 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.449 -16.496 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.954 -17.972 -12.411 1.00 0.00 H new ATOM 405 N LEU A 26 -0.595 -15.822 -14.960 1.00 0.00 N ATOM 406 CA LEU A 26 0.035 -14.649 -15.585 1.00 0.00 C ATOM 407 C LEU A 26 -0.719 -14.119 -16.817 1.00 0.00 C ATOM 408 O LEU A 26 -0.800 -12.907 -17.018 1.00 0.00 O ATOM 409 CB LEU A 26 1.500 -14.991 -15.918 1.00 0.00 C ATOM 410 CG LEU A 26 2.343 -13.829 -16.486 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.298 -12.563 -15.618 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.801 -14.292 -16.606 1.00 0.00 C ATOM 0 H LEU A 26 0.050 -16.601 -14.825 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.004 -13.830 -14.867 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.983 -15.358 -15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.509 -15.809 -16.639 1.00 0.00 H new ATOM 0 HG LEU A 26 1.918 -13.568 -17.455 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.912 -11.787 -16.075 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.269 -12.213 -15.539 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.682 -12.790 -14.623 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.409 -13.480 -17.006 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.175 -14.574 -15.622 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.856 -15.151 -17.275 1.00 0.00 H new ATOM 424 N LYS A 27 -1.314 -15.009 -17.616 1.00 0.00 N ATOM 425 CA LYS A 27 -2.142 -14.646 -18.763 1.00 0.00 C ATOM 426 C LYS A 27 -3.307 -13.748 -18.341 1.00 0.00 C ATOM 427 O LYS A 27 -3.578 -12.753 -19.013 1.00 0.00 O ATOM 428 CB LYS A 27 -2.628 -15.934 -19.451 1.00 0.00 C ATOM 429 CG LYS A 27 -3.453 -15.652 -20.716 1.00 0.00 C ATOM 430 CD LYS A 27 -3.817 -16.958 -21.440 1.00 0.00 C ATOM 431 CE LYS A 27 -4.572 -16.715 -22.757 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.936 -16.163 -22.558 1.00 0.00 N ATOM 0 H LYS A 27 -1.231 -16.016 -17.480 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.551 -14.069 -19.474 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.767 -16.549 -19.713 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.231 -16.511 -18.750 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.363 -15.115 -20.449 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.887 -15.006 -21.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.906 -17.520 -21.646 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.430 -17.574 -20.783 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.996 -16.028 -23.377 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.644 -17.654 -23.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.392 -16.022 -23.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.500 -16.828 -21.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.873 -15.252 -22.061 1.00 0.00 H new ATOM 446 N GLU A 28 -3.989 -14.078 -17.240 1.00 0.00 N ATOM 447 CA GLU A 28 -5.065 -13.251 -16.712 1.00 0.00 C ATOM 448 C GLU A 28 -4.508 -12.010 -16.032 1.00 0.00 C ATOM 449 O GLU A 28 -5.104 -10.951 -16.190 1.00 0.00 O ATOM 450 CB GLU A 28 -5.952 -14.028 -15.725 1.00 0.00 C ATOM 451 CG GLU A 28 -7.274 -14.456 -16.367 1.00 0.00 C ATOM 452 CD GLU A 28 -8.151 -15.246 -15.380 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.555 -14.679 -14.339 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.465 -16.428 -15.654 1.00 0.00 O ATOM 0 H GLU A 28 -3.808 -14.922 -16.696 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.681 -12.951 -17.559 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.417 -14.909 -15.371 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.155 -13.407 -14.852 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.815 -13.574 -16.711 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.071 -15.068 -17.246 1.00 0.00 H new ATOM 461 N VAL A 29 -3.387 -12.105 -15.307 1.00 0.00 N ATOM 462 CA VAL A 29 -2.808 -10.981 -14.554 1.00 0.00 C ATOM 463 C VAL A 29 -2.698 -9.742 -15.442 1.00 0.00 C ATOM 464 O VAL A 29 -3.067 -8.655 -15.006 1.00 0.00 O ATOM 465 CB VAL A 29 -1.438 -11.371 -13.954 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.643 -10.202 -13.355 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.611 -12.407 -12.845 1.00 0.00 C ATOM 0 H VAL A 29 -2.851 -12.969 -15.224 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.473 -10.739 -13.725 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.876 -11.762 -14.802 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.303 -10.571 -12.959 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.447 -9.460 -14.129 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.219 -9.744 -12.551 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.635 -12.668 -12.436 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.237 -11.993 -12.055 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.085 -13.300 -13.252 1.00 0.00 H new ATOM 477 N LYS A 30 -2.270 -9.902 -16.697 1.00 0.00 N ATOM 478 CA LYS A 30 -2.047 -8.791 -17.618 1.00 0.00 C ATOM 479 C LYS A 30 -3.319 -8.020 -18.006 1.00 0.00 C ATOM 480 O LYS A 30 -3.234 -7.023 -18.720 1.00 0.00 O ATOM 481 CB LYS A 30 -1.278 -9.322 -18.842 1.00 0.00 C ATOM 482 CG LYS A 30 -0.314 -8.257 -19.390 1.00 0.00 C ATOM 483 CD LYS A 30 0.358 -8.663 -20.712 1.00 0.00 C ATOM 484 CE LYS A 30 1.190 -9.951 -20.607 1.00 0.00 C ATOM 485 NZ LYS A 30 1.815 -10.318 -21.905 1.00 0.00 N ATOM 0 H LYS A 30 -2.068 -10.815 -17.103 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.450 -8.040 -17.100 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.719 -10.216 -18.565 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.983 -9.615 -19.620 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.860 -7.326 -19.540 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.457 -8.058 -18.645 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.410 -8.797 -21.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.002 -7.850 -21.048 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.968 -9.820 -19.855 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.553 -10.768 -20.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.367 -11.192 -21.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.073 -10.469 -22.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.444 -9.550 -22.217 1.00 0.00 H new ATOM 499 N GLU A 31 -4.495 -8.439 -17.544 1.00 0.00 N ATOM 500 CA GLU A 31 -5.734 -7.690 -17.647 1.00 0.00 C ATOM 501 C GLU A 31 -6.318 -7.537 -16.240 1.00 0.00 C ATOM 502 O GLU A 31 -6.608 -6.431 -15.788 1.00 0.00 O ATOM 503 CB GLU A 31 -6.659 -8.459 -18.605 1.00 0.00 C ATOM 504 CG GLU A 31 -8.031 -7.807 -18.792 1.00 0.00 C ATOM 505 CD GLU A 31 -7.964 -6.507 -19.616 1.00 0.00 C ATOM 506 OE1 GLU A 31 -8.053 -6.569 -20.864 1.00 0.00 O ATOM 507 OE2 GLU A 31 -7.845 -5.410 -19.028 1.00 0.00 O ATOM 0 H GLU A 31 -4.610 -9.337 -17.074 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.592 -6.687 -18.049 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.172 -8.544 -19.576 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.797 -9.472 -18.228 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.699 -8.512 -19.287 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.462 -7.591 -17.815 1.00 0.00 H new ATOM 514 N ARG A 32 -6.437 -8.647 -15.513 1.00 0.00 N ATOM 515 CA ARG A 32 -7.134 -8.744 -14.239 1.00 0.00 C ATOM 516 C ARG A 32 -6.451 -7.957 -13.125 1.00 0.00 C ATOM 517 O ARG A 32 -7.135 -7.574 -12.177 1.00 0.00 O ATOM 518 CB ARG A 32 -7.317 -10.228 -13.880 1.00 0.00 C ATOM 519 CG ARG A 32 -8.320 -10.434 -12.736 1.00 0.00 C ATOM 520 CD ARG A 32 -8.724 -11.911 -12.652 1.00 0.00 C ATOM 521 NE ARG A 32 -9.471 -12.214 -11.421 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.833 -13.442 -11.026 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.582 -14.506 -11.785 1.00 0.00 N ATOM 524 NH2 ARG A 32 -10.451 -13.600 -9.860 1.00 0.00 N ATOM 0 H ARG A 32 -6.034 -9.536 -15.810 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.114 -8.280 -14.346 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.658 -10.773 -14.761 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.354 -10.652 -13.596 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.878 -10.115 -11.792 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.203 -9.816 -12.900 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.334 -12.169 -13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.830 -12.533 -12.695 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.733 -11.430 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.108 -14.393 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.864 -15.435 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.647 -12.789 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.730 -14.532 -9.553 1.00 0.00 H new ATOM 538 N ILE A 33 -5.147 -7.665 -13.220 1.00 0.00 N ATOM 539 CA ILE A 33 -4.507 -6.790 -12.237 1.00 0.00 C ATOM 540 C ILE A 33 -5.198 -5.425 -12.237 1.00 0.00 C ATOM 541 O ILE A 33 -5.358 -4.848 -11.170 1.00 0.00 O ATOM 542 CB ILE A 33 -2.977 -6.671 -12.438 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.272 -6.077 -11.190 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.622 -5.837 -13.680 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.118 -7.103 -10.061 1.00 0.00 C ATOM 0 H ILE A 33 -4.528 -8.014 -13.952 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.629 -7.245 -11.254 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.614 -7.687 -12.590 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.288 -5.704 -11.475 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.843 -5.223 -10.826 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.538 -5.780 -13.782 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.046 -6.307 -14.567 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.030 -4.832 -13.572 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.619 -6.637 -9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.102 -7.457 -9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.523 -7.946 -10.414 1.00 0.00 H new ATOM 557 N ALA A 34 -5.678 -4.929 -13.386 1.00 0.00 N ATOM 558 CA ALA A 34 -6.395 -3.658 -13.420 1.00 0.00 C ATOM 559 C ALA A 34 -7.667 -3.705 -12.568 1.00 0.00 C ATOM 560 O ALA A 34 -8.014 -2.721 -11.915 1.00 0.00 O ATOM 561 CB ALA A 34 -6.726 -3.275 -14.864 1.00 0.00 C ATOM 0 H ALA A 34 -5.582 -5.387 -14.292 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.744 -2.895 -12.993 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.261 -2.325 -14.875 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.803 -3.178 -15.436 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.351 -4.048 -15.311 1.00 0.00 H new ATOM 567 N THR A 35 -8.352 -4.847 -12.558 1.00 0.00 N ATOM 568 CA THR A 35 -9.558 -5.071 -11.774 1.00 0.00 C ATOM 569 C THR A 35 -9.210 -5.203 -10.284 1.00 0.00 C ATOM 570 O THR A 35 -9.888 -4.627 -9.431 1.00 0.00 O ATOM 571 CB THR A 35 -10.270 -6.336 -12.303 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.198 -6.400 -13.720 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.745 -6.368 -11.888 1.00 0.00 C ATOM 0 H THR A 35 -8.075 -5.659 -13.109 1.00 0.00 H new ATOM 0 HA THR A 35 -10.231 -4.220 -11.875 1.00 0.00 H new ATOM 0 HB THR A 35 -9.757 -7.192 -11.866 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.653 -7.209 -14.034 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.213 -7.272 -12.278 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.817 -6.362 -10.800 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.255 -5.493 -12.290 1.00 0.00 H new ATOM 581 N ALA A 36 -8.153 -5.958 -9.970 1.00 0.00 N ATOM 582 CA ALA A 36 -7.800 -6.328 -8.601 1.00 0.00 C ATOM 583 C ALA A 36 -7.032 -5.216 -7.876 1.00 0.00 C ATOM 584 O ALA A 36 -7.161 -5.066 -6.661 1.00 0.00 O ATOM 585 CB ALA A 36 -6.964 -7.615 -8.634 1.00 0.00 C ATOM 0 H ALA A 36 -7.512 -6.333 -10.670 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.723 -6.489 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.695 -7.900 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.545 -8.415 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.058 -7.445 -9.215 1.00 0.00 H new ATOM 591 N VAL A 37 -6.234 -4.449 -8.617 1.00 0.00 N ATOM 592 CA VAL A 37 -5.267 -3.472 -8.136 1.00 0.00 C ATOM 593 C VAL A 37 -5.268 -2.288 -9.124 1.00 0.00 C ATOM 594 O VAL A 37 -4.328 -2.122 -9.905 1.00 0.00 O ATOM 595 CB VAL A 37 -3.862 -4.109 -7.982 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.958 -3.168 -7.178 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.857 -5.500 -7.328 1.00 0.00 C ATOM 0 H VAL A 37 -6.249 -4.499 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.542 -3.115 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.489 -4.252 -8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.970 -3.616 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.869 -2.215 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.391 -3.002 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.833 -5.867 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.284 -5.433 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.450 -6.188 -7.931 1.00 0.00 H new ATOM 607 N PRO A 38 -6.326 -1.460 -9.150 1.00 0.00 N ATOM 608 CA PRO A 38 -6.376 -0.291 -10.021 1.00 0.00 C ATOM 609 C PRO A 38 -5.315 0.757 -9.646 1.00 0.00 C ATOM 610 O PRO A 38 -4.915 1.552 -10.499 1.00 0.00 O ATOM 611 CB PRO A 38 -7.804 0.253 -9.894 1.00 0.00 C ATOM 612 CG PRO A 38 -8.276 -0.256 -8.532 1.00 0.00 C ATOM 613 CD PRO A 38 -7.552 -1.593 -8.385 1.00 0.00 C ATOM 0 HA PRO A 38 -6.145 -0.553 -11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.822 1.342 -9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.443 -0.111 -10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.012 0.435 -7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.359 -0.380 -8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.339 -1.810 -7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.163 -2.413 -8.763 1.00 0.00 H new ATOM 621 N ASP A 39 -4.849 0.772 -8.390 1.00 0.00 N ATOM 622 CA ASP A 39 -3.766 1.642 -7.940 1.00 0.00 C ATOM 623 C ASP A 39 -2.422 1.122 -8.459 1.00 0.00 C ATOM 624 O ASP A 39 -1.833 0.202 -7.887 1.00 0.00 O ATOM 625 CB ASP A 39 -3.744 1.757 -6.409 1.00 0.00 C ATOM 626 CG ASP A 39 -2.567 2.618 -5.908 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.965 3.371 -6.707 1.00 0.00 O ATOM 628 OD2 ASP A 39 -2.272 2.571 -4.693 1.00 0.00 O ATOM 0 H ASP A 39 -5.221 0.172 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.940 2.639 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.683 2.192 -6.065 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.675 0.761 -5.972 1.00 0.00 H new ATOM 633 N LYS A 40 -1.918 1.726 -9.538 1.00 0.00 N ATOM 634 CA LYS A 40 -0.619 1.381 -10.119 1.00 0.00 C ATOM 635 C LYS A 40 0.556 1.580 -9.155 1.00 0.00 C ATOM 636 O LYS A 40 1.632 1.041 -9.419 1.00 0.00 O ATOM 637 CB LYS A 40 -0.412 2.159 -11.431 1.00 0.00 C ATOM 638 CG LYS A 40 -1.212 1.517 -12.576 1.00 0.00 C ATOM 639 CD LYS A 40 -0.972 2.234 -13.912 1.00 0.00 C ATOM 640 CE LYS A 40 -1.621 1.495 -15.093 1.00 0.00 C ATOM 641 NZ LYS A 40 -3.107 1.520 -15.052 1.00 0.00 N ATOM 0 H LYS A 40 -2.403 2.473 -10.036 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.636 0.312 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.725 3.195 -11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.648 2.176 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.932 0.468 -12.671 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.275 1.543 -12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.371 3.247 -13.856 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.100 2.324 -14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.282 1.945 -16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.281 0.459 -15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.486 1.006 -15.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.438 1.066 -14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.438 2.505 -15.077 1.00 0.00 H new ATOM 655 N ASN A 41 0.382 2.317 -8.053 1.00 0.00 N ATOM 656 CA ASN A 41 1.432 2.562 -7.067 1.00 0.00 C ATOM 657 C ASN A 41 1.339 1.572 -5.894 1.00 0.00 C ATOM 658 O ASN A 41 2.047 1.730 -4.899 1.00 0.00 O ATOM 659 CB ASN A 41 1.376 4.031 -6.600 1.00 0.00 C ATOM 660 CG ASN A 41 2.752 4.579 -6.220 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.307 5.426 -6.915 1.00 0.00 O ATOM 662 ND2 ASN A 41 3.336 4.127 -5.128 1.00 0.00 N ATOM 0 H ASN A 41 -0.505 2.765 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 41 2.403 2.394 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.951 4.645 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.708 4.111 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.253 4.481 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.870 3.424 -4.555 1.00 0.00 H new ATOM 669 N ASP A 42 0.469 0.558 -5.954 1.00 0.00 N ATOM 670 CA ASP A 42 0.477 -0.506 -4.951 1.00 0.00 C ATOM 671 C ASP A 42 1.768 -1.316 -5.064 1.00 0.00 C ATOM 672 O ASP A 42 2.273 -1.531 -6.172 1.00 0.00 O ATOM 673 CB ASP A 42 -0.686 -1.470 -5.142 1.00 0.00 C ATOM 674 CG ASP A 42 -0.834 -2.333 -3.893 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.438 -1.848 -2.911 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.297 -3.458 -3.893 1.00 0.00 O ATOM 0 H ASP A 42 -0.241 0.454 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 42 0.394 -0.026 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.606 -0.916 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.512 -2.099 -6.015 1.00 0.00 H new ATOM 681 N THR A 43 2.282 -1.807 -3.940 1.00 0.00 N ATOM 682 CA THR A 43 3.403 -2.722 -3.933 1.00 0.00 C ATOM 683 C THR A 43 2.932 -4.136 -4.294 1.00 0.00 C ATOM 684 O THR A 43 2.708 -4.975 -3.420 1.00 0.00 O ATOM 685 CB THR A 43 4.169 -2.643 -2.607 1.00 0.00 C ATOM 686 OG1 THR A 43 4.456 -1.298 -2.262 1.00 0.00 O ATOM 687 CG2 THR A 43 5.466 -3.427 -2.758 1.00 0.00 C ATOM 0 H THR A 43 1.928 -1.577 -3.011 1.00 0.00 H new ATOM 0 HA THR A 43 4.119 -2.429 -4.701 1.00 0.00 H new ATOM 0 HB THR A 43 3.556 -3.066 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.693 -0.914 -1.781 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.028 -3.384 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.238 -4.466 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.062 -2.993 -3.561 1.00 0.00 H new ATOM 695 N VAL A 44 2.771 -4.411 -5.586 1.00 0.00 N ATOM 696 CA VAL A 44 2.431 -5.749 -6.048 1.00 0.00 C ATOM 697 C VAL A 44 3.696 -6.602 -5.975 1.00 0.00 C ATOM 698 O VAL A 44 4.707 -6.269 -6.597 1.00 0.00 O ATOM 699 CB VAL A 44 1.833 -5.727 -7.470 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.348 -7.138 -7.837 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.640 -4.764 -7.574 1.00 0.00 C ATOM 0 H VAL A 44 2.871 -3.722 -6.331 1.00 0.00 H new ATOM 0 HA VAL A 44 1.659 -6.179 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 44 2.613 -5.388 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.924 -7.127 -8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.188 -7.831 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.587 -7.458 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.248 -4.778 -8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.141 -5.076 -6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.965 -3.754 -7.325 1.00 0.00 H new ATOM 711 N LYS A 45 3.631 -7.713 -5.241 1.00 0.00 N ATOM 712 CA LYS A 45 4.724 -8.659 -5.070 1.00 0.00 C ATOM 713 C LYS A 45 4.376 -9.904 -5.869 1.00 0.00 C ATOM 714 O LYS A 45 3.490 -10.665 -5.473 1.00 0.00 O ATOM 715 CB LYS A 45 4.958 -8.934 -3.574 1.00 0.00 C ATOM 716 CG LYS A 45 5.420 -7.639 -2.890 1.00 0.00 C ATOM 717 CD LYS A 45 5.867 -7.834 -1.437 1.00 0.00 C ATOM 718 CE LYS A 45 6.688 -6.612 -0.998 1.00 0.00 C ATOM 719 NZ LYS A 45 6.983 -6.606 0.455 1.00 0.00 N ATOM 0 H LYS A 45 2.788 -7.984 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 45 5.668 -8.262 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.041 -9.297 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.709 -9.714 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.245 -7.212 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.606 -6.915 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.999 -7.957 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.464 -8.741 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.625 -6.592 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.144 -5.703 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.852 -6.063 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.192 -6.168 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.112 -7.583 0.787 1.00 0.00 H new ATOM 733 N VAL A 46 5.003 -10.072 -7.029 1.00 0.00 N ATOM 734 CA VAL A 46 4.724 -11.207 -7.902 1.00 0.00 C ATOM 735 C VAL A 46 5.552 -12.408 -7.436 1.00 0.00 C ATOM 736 O VAL A 46 6.732 -12.253 -7.095 1.00 0.00 O ATOM 737 CB VAL A 46 4.954 -10.839 -9.383 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.887 -9.839 -9.854 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.340 -10.248 -9.683 1.00 0.00 C ATOM 0 H VAL A 46 5.712 -9.432 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 46 3.672 -11.484 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 46 4.885 -11.782 -9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.061 -9.588 -10.900 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.898 -10.285 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.944 -8.934 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.415 -10.019 -10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.479 -9.335 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.110 -10.970 -9.412 1.00 0.00 H new ATOM 749 N TYR A 47 4.946 -13.600 -7.427 1.00 0.00 N ATOM 750 CA TYR A 47 5.621 -14.859 -7.121 1.00 0.00 C ATOM 751 C TYR A 47 4.937 -16.029 -7.839 1.00 0.00 C ATOM 752 O TYR A 47 3.888 -15.849 -8.454 1.00 0.00 O ATOM 753 CB TYR A 47 5.691 -15.085 -5.606 1.00 0.00 C ATOM 754 CG TYR A 47 4.434 -15.586 -4.929 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.392 -14.694 -4.609 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.340 -16.941 -4.564 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.266 -15.155 -3.905 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.222 -17.403 -3.854 1.00 0.00 C ATOM 759 CZ TYR A 47 2.187 -16.512 -3.514 1.00 0.00 C ATOM 760 OH TYR A 47 1.121 -16.985 -2.814 1.00 0.00 O ATOM 0 H TYR A 47 3.954 -13.715 -7.636 1.00 0.00 H new ATOM 0 HA TYR A 47 6.645 -14.801 -7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.491 -15.798 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.978 -14.144 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.458 -13.657 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.130 -17.627 -4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.463 -14.475 -3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.155 -18.442 -3.568 1.00 0.00 H new ATOM 0 HH TYR A 47 0.590 -17.577 -3.387 1.00 0.00 H new ATOM 770 N CYS A 48 5.529 -17.222 -7.781 1.00 0.00 N ATOM 771 CA CYS A 48 5.115 -18.452 -8.425 1.00 0.00 C ATOM 772 C CYS A 48 5.953 -19.563 -7.783 1.00 0.00 C ATOM 773 O CYS A 48 7.003 -19.293 -7.198 1.00 0.00 O ATOM 774 CB CYS A 48 5.382 -18.307 -9.938 1.00 0.00 C ATOM 775 SG CYS A 48 5.243 -19.818 -10.922 1.00 0.00 S ATOM 0 H CYS A 48 6.380 -17.355 -7.235 1.00 0.00 H new ATOM 0 HA CYS A 48 4.057 -18.681 -8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.685 -17.571 -10.340 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.385 -17.902 -10.072 1.00 0.00 H new ATOM 0 HG CYS A 48 6.376 -20.057 -11.513 1.00 0.00 H new ATOM 781 N ASN A 49 5.541 -20.826 -7.917 1.00 0.00 N ATOM 782 CA ASN A 49 6.361 -21.986 -7.539 1.00 0.00 C ATOM 783 C ASN A 49 7.620 -22.126 -8.420 1.00 0.00 C ATOM 784 O ASN A 49 8.550 -22.846 -8.059 1.00 0.00 O ATOM 785 CB ASN A 49 5.498 -23.256 -7.600 1.00 0.00 C ATOM 786 CG ASN A 49 6.218 -24.509 -7.102 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.958 -24.482 -6.122 1.00 0.00 O ATOM 788 ND2 ASN A 49 5.978 -25.642 -7.740 1.00 0.00 N ATOM 0 H ASN A 49 4.626 -21.077 -8.292 1.00 0.00 H new ATOM 0 HA ASN A 49 6.717 -21.836 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.598 -23.103 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.175 -23.417 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.410 -26.509 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.361 -25.649 -8.552 1.00 0.00 H new ATOM 795 N ALA A 50 7.677 -21.419 -9.555 1.00 0.00 N ATOM 796 CA ALA A 50 8.805 -21.363 -10.473 1.00 0.00 C ATOM 797 C ALA A 50 9.093 -19.885 -10.741 1.00 0.00 C ATOM 798 O ALA A 50 8.346 -19.223 -11.466 1.00 0.00 O ATOM 799 CB ALA A 50 8.472 -22.136 -11.757 1.00 0.00 C ATOM 0 H ALA A 50 6.895 -20.844 -9.867 1.00 0.00 H new ATOM 0 HA ALA A 50 9.694 -21.832 -10.052 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.320 -22.090 -12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.260 -23.176 -11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.598 -21.691 -12.233 1.00 0.00 H new ATOM 805 N GLY A 51 10.158 -19.367 -10.123 1.00 0.00 N ATOM 806 CA GLY A 51 10.477 -17.940 -10.081 1.00 0.00 C ATOM 807 C GLY A 51 10.674 -17.296 -11.452 1.00 0.00 C ATOM 808 O GLY A 51 10.517 -16.082 -11.581 1.00 0.00 O ATOM 0 H GLY A 51 10.838 -19.943 -9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.676 -17.416 -9.559 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.385 -17.800 -9.494 1.00 0.00 H new ATOM 812 N ARG A 52 10.978 -18.087 -12.489 1.00 0.00 N ATOM 813 CA ARG A 52 11.118 -17.612 -13.867 1.00 0.00 C ATOM 814 C ARG A 52 9.934 -16.746 -14.301 1.00 0.00 C ATOM 815 O ARG A 52 10.151 -15.645 -14.813 1.00 0.00 O ATOM 816 CB ARG A 52 11.359 -18.790 -14.839 1.00 0.00 C ATOM 817 CG ARG A 52 10.433 -20.002 -14.618 1.00 0.00 C ATOM 818 CD ARG A 52 10.431 -20.978 -15.803 1.00 0.00 C ATOM 819 NE ARG A 52 9.505 -22.102 -15.561 1.00 0.00 N ATOM 820 CZ ARG A 52 8.164 -22.040 -15.566 1.00 0.00 C ATOM 821 NH1 ARG A 52 7.538 -20.932 -15.952 1.00 0.00 N ATOM 822 NH2 ARG A 52 7.450 -23.086 -15.166 1.00 0.00 N ATOM 0 H ARG A 52 11.136 -19.090 -12.390 1.00 0.00 H new ATOM 0 HA ARG A 52 11.998 -16.970 -13.902 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.231 -18.433 -15.861 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.394 -19.118 -14.743 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.745 -20.532 -13.718 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.417 -19.649 -14.443 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.140 -20.451 -16.712 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.439 -21.361 -15.965 1.00 0.00 H new ATOM 0 HE ARG A 52 9.924 -23.013 -15.372 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.077 -20.118 -16.248 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.519 -20.896 -15.952 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.921 -23.936 -14.855 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.431 -23.039 -15.170 1.00 0.00 H new ATOM 836 N GLN A 53 8.690 -17.192 -14.074 1.00 0.00 N ATOM 837 CA GLN A 53 7.535 -16.412 -14.512 1.00 0.00 C ATOM 838 C GLN A 53 7.229 -15.276 -13.536 1.00 0.00 C ATOM 839 O GLN A 53 6.670 -14.274 -13.970 1.00 0.00 O ATOM 840 CB GLN A 53 6.330 -17.285 -14.907 1.00 0.00 C ATOM 841 CG GLN A 53 5.733 -18.184 -13.821 1.00 0.00 C ATOM 842 CD GLN A 53 4.675 -19.121 -14.417 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.013 -20.137 -15.022 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.390 -18.818 -14.303 1.00 0.00 N ATOM 0 H GLN A 53 8.465 -18.067 -13.601 1.00 0.00 H new ATOM 0 HA GLN A 53 7.799 -15.921 -15.448 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.541 -16.627 -15.273 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.630 -17.918 -15.742 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.523 -18.770 -13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.285 -17.571 -13.040 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.107 -17.976 -13.802 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.684 -19.427 -14.717 1.00 0.00 H new ATOM 853 N SER A 54 7.656 -15.348 -12.269 1.00 0.00 N ATOM 854 CA SER A 54 7.619 -14.193 -11.373 1.00 0.00 C ATOM 855 C SER A 54 8.516 -13.078 -11.926 1.00 0.00 C ATOM 856 O SER A 54 8.152 -11.902 -11.878 1.00 0.00 O ATOM 857 CB SER A 54 8.108 -14.577 -9.970 1.00 0.00 C ATOM 858 OG SER A 54 7.657 -15.853 -9.570 1.00 0.00 O ATOM 0 H SER A 54 8.031 -16.196 -11.844 1.00 0.00 H new ATOM 0 HA SER A 54 6.588 -13.845 -11.308 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.198 -14.558 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.764 -13.832 -9.252 1.00 0.00 H new ATOM 0 HG SER A 54 8.031 -16.071 -8.691 1.00 0.00 H new ATOM 864 N GLY A 55 9.701 -13.431 -12.437 1.00 0.00 N ATOM 865 CA GLY A 55 10.649 -12.477 -12.999 1.00 0.00 C ATOM 866 C GLY A 55 10.054 -11.817 -14.234 1.00 0.00 C ATOM 867 O GLY A 55 9.994 -10.589 -14.315 1.00 0.00 O ATOM 0 H GLY A 55 10.027 -14.397 -12.470 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.898 -11.719 -12.256 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.577 -12.985 -13.260 1.00 0.00 H new ATOM 871 N GLN A 56 9.527 -12.629 -15.156 1.00 0.00 N ATOM 872 CA GLN A 56 8.850 -12.127 -16.344 1.00 0.00 C ATOM 873 C GLN A 56 7.657 -11.241 -15.956 1.00 0.00 C ATOM 874 O GLN A 56 7.436 -10.210 -16.595 1.00 0.00 O ATOM 875 CB GLN A 56 8.438 -13.314 -17.233 1.00 0.00 C ATOM 876 CG GLN A 56 7.805 -12.924 -18.577 1.00 0.00 C ATOM 877 CD GLN A 56 8.695 -12.032 -19.446 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.446 -12.510 -20.292 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.630 -10.721 -19.264 1.00 0.00 N ATOM 0 H GLN A 56 9.560 -13.647 -15.096 1.00 0.00 H new ATOM 0 HA GLN A 56 9.528 -11.496 -16.918 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.318 -13.927 -17.426 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.732 -13.935 -16.681 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.565 -13.831 -19.131 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.864 -12.408 -18.388 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.003 -10.335 -18.559 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.207 -10.098 -19.829 1.00 0.00 H new ATOM 888 N ALA A 57 6.912 -11.607 -14.908 1.00 0.00 N ATOM 889 CA ALA A 57 5.781 -10.832 -14.423 1.00 0.00 C ATOM 890 C ALA A 57 6.206 -9.466 -13.886 1.00 0.00 C ATOM 891 O ALA A 57 5.468 -8.503 -14.099 1.00 0.00 O ATOM 892 CB ALA A 57 5.012 -11.605 -13.353 1.00 0.00 C ATOM 0 H ALA A 57 7.084 -12.458 -14.372 1.00 0.00 H new ATOM 0 HA ALA A 57 5.125 -10.660 -15.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.171 -11.006 -13.005 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.642 -12.540 -13.775 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.674 -11.822 -12.515 1.00 0.00 H new ATOM 898 N LYS A 58 7.372 -9.344 -13.229 1.00 0.00 N ATOM 899 CA LYS A 58 7.827 -8.027 -12.775 1.00 0.00 C ATOM 900 C LYS A 58 7.974 -7.100 -13.984 1.00 0.00 C ATOM 901 O LYS A 58 7.536 -5.949 -13.937 1.00 0.00 O ATOM 902 CB LYS A 58 9.104 -8.068 -11.908 1.00 0.00 C ATOM 903 CG LYS A 58 9.641 -6.638 -11.648 1.00 0.00 C ATOM 904 CD LYS A 58 10.427 -6.453 -10.342 1.00 0.00 C ATOM 905 CE LYS A 58 11.035 -5.039 -10.292 1.00 0.00 C ATOM 906 NZ LYS A 58 11.197 -4.506 -8.914 1.00 0.00 N ATOM 0 H LYS A 58 7.998 -10.118 -13.007 1.00 0.00 H new ATOM 0 HA LYS A 58 7.065 -7.629 -12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.888 -8.558 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.869 -8.663 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.283 -6.353 -12.481 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.798 -5.947 -11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.769 -6.606 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.217 -7.201 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.008 -5.054 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.401 -4.360 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.944 -3.782 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.301 -4.082 -8.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.459 -5.280 -8.271 1.00 0.00 H new ATOM 920 N GLU A 59 8.562 -7.599 -15.071 1.00 0.00 N ATOM 921 CA GLU A 59 8.834 -6.786 -16.250 1.00 0.00 C ATOM 922 C GLU A 59 7.514 -6.419 -16.928 1.00 0.00 C ATOM 923 O GLU A 59 7.318 -5.268 -17.311 1.00 0.00 O ATOM 924 CB GLU A 59 9.768 -7.533 -17.214 1.00 0.00 C ATOM 925 CG GLU A 59 11.168 -7.741 -16.618 1.00 0.00 C ATOM 926 CD GLU A 59 12.125 -8.398 -17.629 1.00 0.00 C ATOM 927 OE1 GLU A 59 12.799 -7.670 -18.394 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.233 -9.644 -17.658 1.00 0.00 O ATOM 0 H GLU A 59 8.860 -8.571 -15.157 1.00 0.00 H new ATOM 0 HA GLU A 59 9.339 -5.868 -15.950 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.333 -8.501 -17.462 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.851 -6.972 -18.145 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.575 -6.781 -16.302 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.095 -8.365 -15.727 1.00 0.00 H new ATOM 935 N ILE A 60 6.586 -7.375 -17.017 1.00 0.00 N ATOM 936 CA ILE A 60 5.257 -7.179 -17.586 1.00 0.00 C ATOM 937 C ILE A 60 4.512 -6.076 -16.830 1.00 0.00 C ATOM 938 O ILE A 60 4.005 -5.148 -17.459 1.00 0.00 O ATOM 939 CB ILE A 60 4.523 -8.543 -17.583 1.00 0.00 C ATOM 940 CG1 ILE A 60 5.018 -9.400 -18.768 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.996 -8.403 -17.621 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.610 -10.876 -18.676 1.00 0.00 C ATOM 0 H ILE A 60 6.745 -8.327 -16.687 1.00 0.00 H new ATOM 0 HA ILE A 60 5.315 -6.836 -18.619 1.00 0.00 H new ATOM 0 HB ILE A 60 4.761 -9.037 -16.641 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.627 -8.982 -19.695 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.105 -9.336 -18.822 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.540 -9.393 -17.617 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.660 -7.845 -16.747 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.702 -7.871 -18.526 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.993 -11.414 -19.543 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.023 -11.312 -17.766 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.523 -10.952 -18.653 1.00 0.00 H new ATOM 954 N LEU A 61 4.436 -6.139 -15.498 1.00 0.00 N ATOM 955 CA LEU A 61 3.659 -5.152 -14.755 1.00 0.00 C ATOM 956 C LEU A 61 4.347 -3.786 -14.783 1.00 0.00 C ATOM 957 O LEU A 61 3.665 -2.760 -14.821 1.00 0.00 O ATOM 958 CB LEU A 61 3.398 -5.621 -13.319 1.00 0.00 C ATOM 959 CG LEU A 61 2.452 -6.832 -13.194 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.157 -7.088 -11.711 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.132 -6.638 -13.950 1.00 0.00 C ATOM 0 H LEU A 61 4.893 -6.848 -14.925 1.00 0.00 H new ATOM 0 HA LEU A 61 2.690 -5.046 -15.243 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.352 -5.874 -12.856 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.978 -4.790 -12.751 1.00 0.00 H new ATOM 0 HG LEU A 61 2.956 -7.687 -13.645 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.488 -7.943 -11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.089 -7.295 -11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.684 -6.207 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.508 -7.523 -13.825 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.610 -5.767 -13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.338 -6.486 -15.009 1.00 0.00 H new ATOM 973 N SER A 62 5.682 -3.756 -14.821 1.00 0.00 N ATOM 974 CA SER A 62 6.422 -2.514 -14.997 1.00 0.00 C ATOM 975 C SER A 62 6.106 -1.900 -16.371 1.00 0.00 C ATOM 976 O SER A 62 5.897 -0.692 -16.468 1.00 0.00 O ATOM 977 CB SER A 62 7.924 -2.766 -14.821 1.00 0.00 C ATOM 978 OG SER A 62 8.194 -3.378 -13.569 1.00 0.00 O ATOM 0 H SER A 62 6.270 -4.584 -14.731 1.00 0.00 H new ATOM 0 HA SER A 62 6.114 -1.798 -14.235 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.286 -3.404 -15.627 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.466 -1.823 -14.893 1.00 0.00 H new ATOM 0 HG SER A 62 8.225 -4.351 -13.680 1.00 0.00 H new ATOM 984 N GLU A 63 5.998 -2.719 -17.423 1.00 0.00 N ATOM 985 CA GLU A 63 5.615 -2.288 -18.764 1.00 0.00 C ATOM 986 C GLU A 63 4.161 -1.785 -18.789 1.00 0.00 C ATOM 987 O GLU A 63 3.867 -0.801 -19.470 1.00 0.00 O ATOM 988 CB GLU A 63 5.872 -3.442 -19.750 1.00 0.00 C ATOM 989 CG GLU A 63 5.519 -3.090 -21.199 1.00 0.00 C ATOM 990 CD GLU A 63 5.976 -4.186 -22.177 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.199 -5.129 -22.452 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.109 -4.104 -22.706 1.00 0.00 O ATOM 0 H GLU A 63 6.179 -3.721 -17.360 1.00 0.00 H new ATOM 0 HA GLU A 63 6.225 -1.439 -19.074 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.923 -3.728 -19.698 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.290 -4.310 -19.442 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.442 -2.949 -21.287 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.987 -2.143 -21.468 1.00 0.00 H new ATOM 999 N MET A 64 3.264 -2.391 -17.999 1.00 0.00 N ATOM 1000 CA MET A 64 1.899 -1.895 -17.783 1.00 0.00 C ATOM 1001 C MET A 64 1.870 -0.576 -16.991 1.00 0.00 C ATOM 1002 O MET A 64 0.805 0.031 -16.860 1.00 0.00 O ATOM 1003 CB MET A 64 1.037 -2.951 -17.073 1.00 0.00 C ATOM 1004 CG MET A 64 0.743 -4.172 -17.950 1.00 0.00 C ATOM 1005 SD MET A 64 -0.257 -5.446 -17.133 1.00 0.00 S ATOM 1006 CE MET A 64 -1.860 -4.604 -17.022 1.00 0.00 C ATOM 0 H MET A 64 3.469 -3.249 -17.487 1.00 0.00 H new ATOM 0 HA MET A 64 1.482 -1.695 -18.770 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.545 -3.276 -16.165 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.095 -2.496 -16.765 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.227 -3.843 -18.852 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.687 -4.614 -18.267 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.624 -5.315 -16.707 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.796 -3.794 -16.295 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.125 -4.196 -17.997 1.00 0.00 H new ATOM 1016 N GLY A 65 3.007 -0.113 -16.463 1.00 0.00 N ATOM 1017 CA GLY A 65 3.137 1.188 -15.826 1.00 0.00 C ATOM 1018 C GLY A 65 2.904 1.143 -14.318 1.00 0.00 C ATOM 1019 O GLY A 65 2.782 2.205 -13.707 1.00 0.00 O ATOM 0 H GLY A 65 3.876 -0.647 -16.470 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.134 1.584 -16.022 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.425 1.879 -16.277 1.00 0.00 H new ATOM 1023 N TYR A 66 2.822 -0.043 -13.702 1.00 0.00 N ATOM 1024 CA TYR A 66 2.826 -0.147 -12.246 1.00 0.00 C ATOM 1025 C TYR A 66 4.207 0.312 -11.762 1.00 0.00 C ATOM 1026 O TYR A 66 5.224 -0.051 -12.359 1.00 0.00 O ATOM 1027 CB TYR A 66 2.479 -1.573 -11.793 1.00 0.00 C ATOM 1028 CG TYR A 66 1.009 -1.941 -11.915 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.419 -2.116 -13.183 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.223 -2.092 -10.755 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.962 -2.355 -13.296 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.156 -2.342 -10.861 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.762 -2.434 -12.134 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.110 -2.568 -12.250 1.00 0.00 O ATOM 0 H TYR A 66 2.753 -0.936 -14.190 1.00 0.00 H new ATOM 0 HA TYR A 66 2.059 0.490 -11.804 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.066 -2.279 -12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.784 -1.693 -10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.030 -2.066 -14.072 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.682 -2.015 -9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.411 -2.478 -14.270 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.753 -2.464 -9.969 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.501 -2.721 -11.364 1.00 0.00 H new ATOM 1044 N THR A 67 4.260 1.109 -10.694 1.00 0.00 N ATOM 1045 CA THR A 67 5.473 1.814 -10.277 1.00 0.00 C ATOM 1046 C THR A 67 6.152 1.178 -9.062 1.00 0.00 C ATOM 1047 O THR A 67 7.321 1.467 -8.802 1.00 0.00 O ATOM 1048 CB THR A 67 5.122 3.290 -10.013 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.993 3.370 -9.164 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.791 4.039 -11.308 1.00 0.00 C ATOM 0 H THR A 67 3.457 1.285 -10.090 1.00 0.00 H new ATOM 0 HA THR A 67 6.201 1.741 -11.085 1.00 0.00 H new ATOM 0 HB THR A 67 5.996 3.749 -9.550 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.081 4.148 -8.575 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.549 5.076 -11.077 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.651 4.007 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.937 3.567 -11.793 1.00 0.00 H new ATOM 1058 N HIS A 68 5.457 0.296 -8.336 1.00 0.00 N ATOM 1059 CA HIS A 68 5.948 -0.331 -7.108 1.00 0.00 C ATOM 1060 C HIS A 68 5.928 -1.861 -7.237 1.00 0.00 C ATOM 1061 O HIS A 68 5.789 -2.590 -6.256 1.00 0.00 O ATOM 1062 CB HIS A 68 5.153 0.205 -5.897 1.00 0.00 C ATOM 1063 CG HIS A 68 5.668 1.483 -5.280 1.00 0.00 C ATOM 1064 ND1 HIS A 68 5.870 1.683 -3.932 1.00 0.00 N ATOM 1065 CD2 HIS A 68 5.959 2.666 -5.908 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.278 2.949 -3.751 1.00 0.00 C ATOM 1067 NE2 HIS A 68 6.344 3.597 -4.930 1.00 0.00 N ATOM 0 H HIS A 68 4.518 -0.007 -8.593 1.00 0.00 H new ATOM 0 HA HIS A 68 6.991 -0.064 -6.940 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.121 0.365 -6.208 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.138 -0.566 -5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.902 2.850 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.520 3.387 -2.794 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.618 4.568 -5.082 1.00 0.00 H new ATOM 1075 N VAL A 69 6.069 -2.366 -8.461 1.00 0.00 N ATOM 1076 CA VAL A 69 6.173 -3.800 -8.706 1.00 0.00 C ATOM 1077 C VAL A 69 7.441 -4.295 -8.016 1.00 0.00 C ATOM 1078 O VAL A 69 8.512 -3.697 -8.179 1.00 0.00 O ATOM 1079 CB VAL A 69 6.226 -4.106 -10.215 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.097 -5.612 -10.472 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.104 -3.406 -10.984 1.00 0.00 C ATOM 0 H VAL A 69 6.114 -1.795 -9.305 1.00 0.00 H new ATOM 0 HA VAL A 69 5.295 -4.309 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 69 7.190 -3.737 -10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.137 -5.803 -11.544 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.916 -6.137 -9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.146 -5.969 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.181 -3.651 -12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.139 -3.740 -10.604 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.191 -2.327 -10.853 1.00 0.00 H new ATOM 1091 N GLU A 70 7.357 -5.417 -7.305 1.00 0.00 N ATOM 1092 CA GLU A 70 8.522 -6.069 -6.751 1.00 0.00 C ATOM 1093 C GLU A 70 8.456 -7.566 -7.022 1.00 0.00 C ATOM 1094 O GLU A 70 7.382 -8.170 -7.066 1.00 0.00 O ATOM 1095 CB GLU A 70 8.696 -5.699 -5.270 1.00 0.00 C ATOM 1096 CG GLU A 70 10.029 -6.175 -4.669 1.00 0.00 C ATOM 1097 CD GLU A 70 11.268 -5.623 -5.408 1.00 0.00 C ATOM 1098 OE1 GLU A 70 11.524 -6.042 -6.563 1.00 0.00 O ATOM 1099 OE2 GLU A 70 11.983 -4.766 -4.841 1.00 0.00 O ATOM 0 H GLU A 70 6.478 -5.892 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 70 9.425 -5.712 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.625 -4.616 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.875 -6.130 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.075 -5.873 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.059 -7.264 -4.688 1.00 0.00 H new ATOM 1106 N ASN A 71 9.627 -8.151 -7.256 1.00 0.00 N ATOM 1107 CA ASN A 71 9.776 -9.558 -7.561 1.00 0.00 C ATOM 1108 C ASN A 71 10.100 -10.274 -6.260 1.00 0.00 C ATOM 1109 O ASN A 71 11.197 -10.093 -5.725 1.00 0.00 O ATOM 1110 CB ASN A 71 10.902 -9.755 -8.581 1.00 0.00 C ATOM 1111 CG ASN A 71 11.064 -11.234 -8.864 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.987 -11.889 -8.393 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.135 -11.799 -9.610 1.00 0.00 N ATOM 0 H ASN A 71 10.512 -7.645 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 71 8.861 -9.961 -7.995 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.672 -9.219 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.834 -9.342 -8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.176 -12.799 -9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.375 -11.236 -9.992 1.00 0.00 H new ATOM 1120 N ALA A 72 9.150 -11.044 -5.723 1.00 0.00 N ATOM 1121 CA ALA A 72 9.406 -11.777 -4.493 1.00 0.00 C ATOM 1122 C ALA A 72 10.309 -12.984 -4.767 1.00 0.00 C ATOM 1123 O ALA A 72 11.199 -13.264 -3.963 1.00 0.00 O ATOM 1124 CB ALA A 72 8.092 -12.187 -3.831 1.00 0.00 C ATOM 0 H ALA A 72 8.217 -11.171 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 72 9.933 -11.126 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.303 -12.734 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.509 -11.296 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.525 -12.823 -4.511 1.00 0.00 H new ATOM 1130 N GLY A 73 10.117 -13.667 -5.903 1.00 0.00 N ATOM 1131 CA GLY A 73 10.986 -14.745 -6.360 1.00 0.00 C ATOM 1132 C GLY A 73 10.184 -15.998 -6.680 1.00 0.00 C ATOM 1133 O GLY A 73 9.010 -15.921 -7.060 1.00 0.00 O ATOM 0 H GLY A 73 9.340 -13.479 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.533 -14.424 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.726 -14.970 -5.592 1.00 0.00 H new ATOM 1137 N GLY A 74 10.834 -17.153 -6.530 1.00 0.00 N ATOM 1138 CA GLY A 74 10.182 -18.451 -6.565 1.00 0.00 C ATOM 1139 C GLY A 74 9.839 -18.857 -5.136 1.00 0.00 C ATOM 1140 O GLY A 74 10.602 -18.588 -4.206 1.00 0.00 O ATOM 0 H GLY A 74 11.841 -17.208 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.279 -18.405 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.837 -19.192 -7.023 1.00 0.00 H new ATOM 1144 N LEU A 75 8.698 -19.516 -4.945 1.00 0.00 N ATOM 1145 CA LEU A 75 8.126 -19.777 -3.627 1.00 0.00 C ATOM 1146 C LEU A 75 9.032 -20.611 -2.720 1.00 0.00 C ATOM 1147 O LEU A 75 8.980 -20.460 -1.499 1.00 0.00 O ATOM 1148 CB LEU A 75 6.753 -20.440 -3.806 1.00 0.00 C ATOM 1149 CG LEU A 75 5.925 -20.526 -2.515 1.00 0.00 C ATOM 1150 CD1 LEU A 75 5.734 -19.172 -1.817 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.560 -21.098 -2.889 1.00 0.00 C ATOM 0 H LEU A 75 8.138 -19.888 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 75 8.018 -18.820 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.187 -19.882 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.896 -21.446 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 75 6.463 -21.157 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.140 -19.309 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.707 -18.758 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.219 -18.486 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.940 -21.175 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.076 -20.441 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.688 -22.087 -3.328 1.00 0.00 H new ATOM 1163 N LYS A 76 9.875 -21.468 -3.303 1.00 0.00 N ATOM 1164 CA LYS A 76 10.828 -22.282 -2.552 1.00 0.00 C ATOM 1165 C LYS A 76 11.900 -21.412 -1.887 1.00 0.00 C ATOM 1166 O LYS A 76 12.397 -21.778 -0.822 1.00 0.00 O ATOM 1167 CB LYS A 76 11.478 -23.324 -3.480 1.00 0.00 C ATOM 1168 CG LYS A 76 10.447 -24.291 -4.087 1.00 0.00 C ATOM 1169 CD LYS A 76 11.121 -25.332 -4.989 1.00 0.00 C ATOM 1170 CE LYS A 76 10.057 -26.245 -5.614 1.00 0.00 C ATOM 1171 NZ LYS A 76 10.653 -27.277 -6.499 1.00 0.00 N ATOM 0 H LYS A 76 9.914 -21.615 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 76 10.285 -22.800 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.008 -22.811 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.220 -23.893 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.905 -24.796 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.713 -23.728 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.691 -24.833 -5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.828 -25.926 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.488 -26.732 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.353 -25.641 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.898 -27.870 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.174 -26.814 -7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.305 -27.871 -5.949 1.00 0.00 H new ATOM 1185 N ASP A 77 12.262 -20.279 -2.497 1.00 0.00 N ATOM 1186 CA ASP A 77 13.252 -19.350 -1.951 1.00 0.00 C ATOM 1187 C ASP A 77 12.600 -18.345 -0.997 1.00 0.00 C ATOM 1188 O ASP A 77 13.226 -17.932 -0.020 1.00 0.00 O ATOM 1189 CB ASP A 77 13.947 -18.595 -3.091 1.00 0.00 C ATOM 1190 CG ASP A 77 14.986 -17.602 -2.545 1.00 0.00 C ATOM 1191 OD1 ASP A 77 16.058 -18.042 -2.072 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.756 -16.374 -2.619 1.00 0.00 O ATOM 0 H ASP A 77 11.872 -19.980 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 77 13.986 -19.931 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.434 -19.306 -3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.204 -18.060 -3.683 1.00 0.00 H new ATOM 1197 N ILE A 78 11.342 -17.968 -1.259 1.00 0.00 N ATOM 1198 CA ILE A 78 10.572 -17.053 -0.419 1.00 0.00 C ATOM 1199 C ILE A 78 10.447 -17.653 0.989 1.00 0.00 C ATOM 1200 O ILE A 78 10.109 -18.830 1.153 1.00 0.00 O ATOM 1201 CB ILE A 78 9.204 -16.747 -1.083 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.427 -15.897 -2.357 1.00 0.00 C ATOM 1203 CG2 ILE A 78 8.224 -16.023 -0.137 1.00 0.00 C ATOM 1204 CD1 ILE A 78 8.177 -15.716 -3.224 1.00 0.00 C ATOM 0 H ILE A 78 10.826 -18.298 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 78 11.082 -16.095 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 78 8.749 -17.704 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.796 -14.914 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.207 -16.364 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.285 -15.837 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.036 -16.646 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.658 -15.074 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.423 -15.108 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.817 -16.691 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.400 -15.219 -2.643 1.00 0.00 H new ATOM 1216 N ALA A 79 10.664 -16.808 2.001 1.00 0.00 N ATOM 1217 CA ALA A 79 10.555 -17.128 3.416 1.00 0.00 C ATOM 1218 C ALA A 79 9.562 -16.128 4.011 1.00 0.00 C ATOM 1219 O ALA A 79 9.935 -15.037 4.448 1.00 0.00 O ATOM 1220 CB ALA A 79 11.939 -17.089 4.079 1.00 0.00 C ATOM 0 H ALA A 79 10.933 -15.837 1.842 1.00 0.00 H new ATOM 0 HA ALA A 79 10.187 -18.140 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.842 -17.330 5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.593 -17.817 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.366 -16.092 3.972 1.00 0.00 H new ATOM 1226 N MET A 80 8.281 -16.483 3.937 1.00 0.00 N ATOM 1227 CA MET A 80 7.130 -15.666 4.308 1.00 0.00 C ATOM 1228 C MET A 80 6.056 -16.648 4.809 1.00 0.00 C ATOM 1229 O MET A 80 6.038 -17.780 4.310 1.00 0.00 O ATOM 1230 CB MET A 80 6.672 -14.901 3.048 1.00 0.00 C ATOM 1231 CG MET A 80 5.632 -13.807 3.303 1.00 0.00 C ATOM 1232 SD MET A 80 6.214 -12.406 4.297 1.00 0.00 S ATOM 1233 CE MET A 80 4.676 -11.447 4.368 1.00 0.00 C ATOM 0 H MET A 80 8.003 -17.403 3.596 1.00 0.00 H new ATOM 0 HA MET A 80 7.345 -14.933 5.086 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.545 -14.450 2.577 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.259 -15.616 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 80 5.282 -13.430 2.342 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.772 -14.254 3.802 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.841 -10.538 4.946 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.365 -11.183 3.357 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.897 -12.043 4.843 1.00 0.00 H new ATOM 1243 N PRO A 81 5.194 -16.285 5.782 1.00 0.00 N ATOM 1244 CA PRO A 81 4.132 -17.157 6.281 1.00 0.00 C ATOM 1245 C PRO A 81 3.315 -17.792 5.150 1.00 0.00 C ATOM 1246 O PRO A 81 2.941 -17.116 4.187 1.00 0.00 O ATOM 1247 CB PRO A 81 3.279 -16.282 7.202 1.00 0.00 C ATOM 1248 CG PRO A 81 4.294 -15.282 7.748 1.00 0.00 C ATOM 1249 CD PRO A 81 5.214 -15.047 6.552 1.00 0.00 C ATOM 0 HA PRO A 81 4.544 -18.010 6.821 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.474 -15.787 6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.815 -16.864 7.998 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.816 -14.360 8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.837 -15.683 8.604 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.866 -14.207 5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.226 -14.807 6.879 1.00 0.00 H new ATOM 1257 N LYS A 82 3.006 -19.085 5.284 1.00 0.00 N ATOM 1258 CA LYS A 82 2.457 -19.915 4.211 1.00 0.00 C ATOM 1259 C LYS A 82 1.198 -20.651 4.652 1.00 0.00 C ATOM 1260 O LYS A 82 0.882 -20.718 5.842 1.00 0.00 O ATOM 1261 CB LYS A 82 3.547 -20.910 3.743 1.00 0.00 C ATOM 1262 CG LYS A 82 4.384 -20.343 2.589 1.00 0.00 C ATOM 1263 CD LYS A 82 5.773 -20.993 2.492 1.00 0.00 C ATOM 1264 CE LYS A 82 6.592 -20.318 1.380 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.797 -21.094 1.002 1.00 0.00 N ATOM 0 H LYS A 82 3.134 -19.593 6.159 1.00 0.00 H new ATOM 0 HA LYS A 82 2.166 -19.271 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.201 -21.152 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.077 -21.841 3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.851 -20.493 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.499 -19.267 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.294 -20.902 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.672 -22.058 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.961 -20.184 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.894 -19.324 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.255 -20.647 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.462 -21.114 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.521 -22.066 0.757 1.00 0.00 H new ATOM 1279 N VAL A 83 0.509 -21.216 3.669 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.595 -22.155 3.781 1.00 0.00 C ATOM 1281 C VAL A 83 -0.256 -23.243 2.758 1.00 0.00 C ATOM 1282 O VAL A 83 0.356 -22.948 1.725 1.00 0.00 O ATOM 1283 CB VAL A 83 -1.938 -21.465 3.453 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.133 -22.371 3.789 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.126 -20.130 4.188 1.00 0.00 C ATOM 0 H VAL A 83 0.727 -21.011 2.694 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.712 -22.557 4.787 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.902 -21.269 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.061 -21.854 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.067 -23.291 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.120 -22.612 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.088 -19.697 3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.097 -20.300 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.326 -19.444 3.907 1.00 0.00 H new ATOM 1295 N LYS A 84 -0.604 -24.501 3.038 1.00 0.00 N ATOM 1296 CA LYS A 84 -0.211 -25.645 2.216 1.00 0.00 C ATOM 1297 C LYS A 84 -1.359 -26.648 2.146 1.00 0.00 C ATOM 1298 O LYS A 84 -2.305 -26.564 2.936 1.00 0.00 O ATOM 1299 CB LYS A 84 1.055 -26.315 2.788 1.00 0.00 C ATOM 1300 CG LYS A 84 2.213 -25.347 3.097 1.00 0.00 C ATOM 1301 CD LYS A 84 3.542 -26.105 3.193 1.00 0.00 C ATOM 1302 CE LYS A 84 4.669 -25.170 3.651 1.00 0.00 C ATOM 1303 NZ LYS A 84 6.003 -25.698 3.278 1.00 0.00 N ATOM 0 H LYS A 84 -1.170 -24.755 3.847 1.00 0.00 H new ATOM 0 HA LYS A 84 0.016 -25.294 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.788 -26.844 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.405 -27.064 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.277 -24.588 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.018 -24.826 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.443 -26.934 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.792 -26.535 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.529 -24.185 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.618 -25.040 4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.733 -25.239 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.027 -26.725 3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.186 -25.501 2.273 1.00 0.00 H new ATOM 1317 N GLY A 85 -1.266 -27.616 1.238 1.00 0.00 N ATOM 1318 CA GLY A 85 -2.244 -28.681 1.079 1.00 0.00 C ATOM 1319 C GLY A 85 -1.725 -29.718 0.093 1.00 0.00 C ATOM 1320 O GLY A 85 -0.494 -29.799 -0.103 1.00 0.00 O ATOM 1321 OXT GLY A 85 -2.553 -30.467 -0.462 1.00 0.00 O ATOM 0 H GLY A 85 -0.490 -27.680 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.443 -29.150 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.189 -28.269 0.724 1.00 0.00 H new