USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 699 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 59 GLN : amide:sc= -1.75 K(o=-1.8,f=-4.8!) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.0989 X(o=-1.8,f=-1.7) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 165:sc= -3.37! (180deg=-3.42!) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= -0.146 USER MOD Set 3.1: A 43 LYS NZ :NH3+ -145:sc= 0.00687 (180deg=-0.0979) USER MOD Set 3.2: A 73 THR OG1 : rot 180:sc= 0.00729 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.13) USER MOD Set 4.2: A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.212 (180deg=-0.482) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.732 X(o=-0.73,f=-0.61) USER MOD Single : A 11 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.53) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.21 (180deg=-0.677) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 156:sc= 0.119 (180deg=0.0275) USER MOD Single : A 23 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.051) USER MOD Single : A 38 ASN : amide:sc= -2! K(o=-2!,f=-0.33) USER MOD Single : A 39 SER OG : rot 44:sc= 0.199 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.11! C(o=-2.1!,f=-3.2!) USER MOD Single : A 57 SER OG : rot 170:sc= -0.124 USER MOD Single : A 60 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 130:sc= -4.25! USER MOD Single : A 74 THR OG1 : rot -69:sc= 0.704 USER MOD Single : A 75 SER OG : rot 150:sc= -0.62 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -68:sc= 0.819 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.348 K(o=0.35,f=-2.3!) USER MOD Single : A 87 HIS : no HD1:sc= -0.39 X(o=-0.39,f=-0.65) USER MOD Single : A 88 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.36) USER MOD Single : A 89 HIS : no HD1:sc=-0.00771 X(o=-0.0077,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.121 -23.897 16.662 1.00 0.00 N ATOM 2 CA MET A 1 -11.508 -24.395 16.849 1.00 0.00 C ATOM 3 C MET A 1 -12.532 -23.327 16.475 1.00 0.00 C ATOM 4 O MET A 1 -13.718 -23.458 16.778 1.00 0.00 O ATOM 5 CB MET A 1 -11.684 -24.809 18.312 1.00 0.00 C ATOM 6 CG MET A 1 -11.587 -23.652 19.290 1.00 0.00 C ATOM 7 SD MET A 1 -10.560 -24.036 20.722 1.00 0.00 S ATOM 8 CE MET A 1 -11.797 -24.111 22.016 1.00 0.00 C ATOM 0 H1 MET A 1 -9.459 -24.510 17.180 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.882 -23.907 15.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.049 -22.925 17.025 1.00 0.00 H new ATOM 0 HA MET A 1 -11.673 -25.251 16.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.654 -25.292 18.429 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.926 -25.551 18.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.178 -22.782 18.777 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.588 -23.382 19.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.316 -24.341 22.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.305 -23.150 22.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.524 -24.888 21.780 1.00 0.00 H new ATOM 20 N ARG A 2 -12.065 -22.271 15.816 1.00 0.00 N ATOM 21 CA ARG A 2 -12.940 -21.179 15.401 1.00 0.00 C ATOM 22 C ARG A 2 -13.321 -21.312 13.931 1.00 0.00 C ATOM 23 O ARG A 2 -13.917 -20.404 13.350 1.00 0.00 O ATOM 24 CB ARG A 2 -12.256 -19.833 15.642 1.00 0.00 C ATOM 25 CG ARG A 2 -12.159 -19.456 17.111 1.00 0.00 C ATOM 26 CD ARG A 2 -13.189 -18.401 17.484 1.00 0.00 C ATOM 27 NE ARG A 2 -12.674 -17.458 18.473 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.131 -17.372 19.720 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.107 -18.172 20.130 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.611 -16.486 20.559 1.00 0.00 N ATOM 0 H ARG A 2 -11.086 -22.148 15.558 1.00 0.00 H new ATOM 0 HA ARG A 2 -13.851 -21.230 15.998 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.253 -19.863 15.216 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.805 -19.055 15.111 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.306 -20.344 17.726 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.158 -19.081 17.326 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.492 -17.858 16.589 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -14.081 -18.889 17.878 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.921 -16.830 18.192 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.509 -18.856 19.489 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.455 -18.103 21.086 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.860 -15.870 20.249 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.962 -16.421 21.514 1.00 0.00 H new ATOM 44 N GLY A 3 -12.972 -22.447 13.333 1.00 0.00 N ATOM 45 CA GLY A 3 -13.287 -22.675 11.935 1.00 0.00 C ATOM 46 C GLY A 3 -12.093 -22.444 11.028 1.00 0.00 C ATOM 47 O GLY A 3 -12.239 -22.371 9.808 1.00 0.00 O ATOM 0 H GLY A 3 -12.477 -23.212 13.791 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -13.644 -23.697 11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.100 -22.014 11.636 1.00 0.00 H new ATOM 51 N SER A 4 -10.911 -22.330 11.626 1.00 0.00 N ATOM 52 CA SER A 4 -9.687 -22.105 10.865 1.00 0.00 C ATOM 53 C SER A 4 -8.562 -23.005 11.368 1.00 0.00 C ATOM 54 O SER A 4 -8.239 -23.005 12.556 1.00 0.00 O ATOM 55 CB SER A 4 -9.264 -20.637 10.962 1.00 0.00 C ATOM 56 OG SER A 4 -9.634 -19.922 9.795 1.00 0.00 O ATOM 0 H SER A 4 -10.775 -22.390 12.635 1.00 0.00 H new ATOM 0 HA SER A 4 -9.886 -22.350 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.727 -20.179 11.836 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.185 -20.575 11.104 1.00 0.00 H new ATOM 0 HG SER A 4 -9.355 -18.987 9.882 1.00 0.00 H new ATOM 62 N ASN A 5 -7.971 -23.770 10.456 1.00 0.00 N ATOM 63 CA ASN A 5 -6.881 -24.676 10.809 1.00 0.00 C ATOM 64 C ASN A 5 -5.618 -23.899 11.165 1.00 0.00 C ATOM 65 O ASN A 5 -5.278 -23.753 12.338 1.00 0.00 O ATOM 66 CB ASN A 5 -6.591 -25.647 9.659 1.00 0.00 C ATOM 67 CG ASN A 5 -7.410 -25.349 8.418 1.00 0.00 C ATOM 68 OD1 ASN A 5 -6.920 -24.741 7.467 1.00 0.00 O ATOM 69 ND2 ASN A 5 -8.667 -25.779 8.422 1.00 0.00 N ATOM 0 H ASN A 5 -8.227 -23.782 9.469 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.193 -25.248 11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.531 -25.601 9.409 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.797 -26.665 9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.267 -25.609 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.032 -26.279 9.232 1.00 0.00 H new ATOM 76 N ALA A 6 -4.927 -23.401 10.144 1.00 0.00 N ATOM 77 CA ALA A 6 -3.700 -22.639 10.348 1.00 0.00 C ATOM 78 C ALA A 6 -3.970 -21.353 11.128 1.00 0.00 C ATOM 79 O ALA A 6 -5.007 -20.715 10.946 1.00 0.00 O ATOM 80 CB ALA A 6 -3.051 -22.320 9.010 1.00 0.00 C ATOM 0 H ALA A 6 -5.196 -23.512 9.166 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.016 -23.251 10.937 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.136 -21.751 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.812 -23.248 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.739 -21.732 8.403 1.00 0.00 H new ATOM 86 N PRO A 7 -3.034 -20.952 12.011 1.00 0.00 N ATOM 87 CA PRO A 7 -3.176 -19.734 12.817 1.00 0.00 C ATOM 88 C PRO A 7 -2.990 -18.468 11.988 1.00 0.00 C ATOM 89 O PRO A 7 -3.655 -17.458 12.217 1.00 0.00 O ATOM 90 CB PRO A 7 -2.055 -19.866 13.848 1.00 0.00 C ATOM 91 CG PRO A 7 -1.015 -20.683 13.165 1.00 0.00 C ATOM 92 CD PRO A 7 -1.763 -21.652 12.290 1.00 0.00 C ATOM 0 HA PRO A 7 -4.170 -19.644 13.254 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.666 -18.890 14.138 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.408 -20.352 14.758 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.351 -20.054 12.573 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.394 -21.210 13.889 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.215 -21.871 11.373 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.931 -22.603 12.796 1.00 0.00 H new ATOM 100 N GLN A 8 -2.081 -18.535 11.020 1.00 0.00 N ATOM 101 CA GLN A 8 -1.799 -17.401 10.147 1.00 0.00 C ATOM 102 C GLN A 8 -1.113 -17.871 8.865 1.00 0.00 C ATOM 103 O GLN A 8 0.077 -17.628 8.662 1.00 0.00 O ATOM 104 CB GLN A 8 -0.916 -16.381 10.872 1.00 0.00 C ATOM 105 CG GLN A 8 -0.887 -15.015 10.203 1.00 0.00 C ATOM 106 CD GLN A 8 -2.250 -14.354 10.169 1.00 0.00 C ATOM 107 OE1 GLN A 8 -2.697 -13.774 11.158 1.00 0.00 O ATOM 108 NE2 GLN A 8 -2.921 -14.439 9.026 1.00 0.00 N ATOM 0 H GLN A 8 -1.525 -19.367 10.820 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.743 -16.925 9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.272 -16.267 11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.101 -16.769 10.930 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -0.187 -14.369 10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.513 -15.121 9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.513 -14.930 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.844 -14.014 8.944 1.00 0.00 H new ATOM 117 N PRO A 9 -1.857 -18.559 7.980 1.00 0.00 N ATOM 118 CA PRO A 9 -1.312 -19.069 6.718 1.00 0.00 C ATOM 119 C PRO A 9 -0.993 -17.956 5.721 1.00 0.00 C ATOM 120 O PRO A 9 0.138 -17.473 5.665 1.00 0.00 O ATOM 121 CB PRO A 9 -2.428 -19.971 6.183 1.00 0.00 C ATOM 122 CG PRO A 9 -3.676 -19.438 6.797 1.00 0.00 C ATOM 123 CD PRO A 9 -3.284 -18.903 8.146 1.00 0.00 C ATOM 0 HA PRO A 9 -0.365 -19.587 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.477 -19.937 5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.263 -21.012 6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.110 -18.653 6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.428 -20.221 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.878 -18.031 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.429 -19.646 8.930 1.00 0.00 H new ATOM 131 N SER A 10 -1.994 -17.559 4.937 1.00 0.00 N ATOM 132 CA SER A 10 -1.821 -16.509 3.937 1.00 0.00 C ATOM 133 C SER A 10 -0.799 -16.920 2.881 1.00 0.00 C ATOM 134 O SER A 10 -0.110 -17.930 3.028 1.00 0.00 O ATOM 135 CB SER A 10 -1.390 -15.198 4.601 1.00 0.00 C ATOM 136 OG SER A 10 -2.428 -14.670 5.408 1.00 0.00 O ATOM 0 H SER A 10 -2.935 -17.950 4.976 1.00 0.00 H new ATOM 0 HA SER A 10 -2.782 -16.356 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.503 -15.370 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.115 -14.472 3.836 1.00 0.00 H new ATOM 0 HG SER A 10 -2.127 -13.834 5.822 1.00 0.00 H new ATOM 142 N HIS A 11 -0.707 -16.130 1.817 1.00 0.00 N ATOM 143 CA HIS A 11 0.230 -16.411 0.736 1.00 0.00 C ATOM 144 C HIS A 11 1.613 -15.853 1.056 1.00 0.00 C ATOM 145 O HIS A 11 2.614 -16.567 0.982 1.00 0.00 O ATOM 146 CB HIS A 11 -0.280 -15.812 -0.577 1.00 0.00 C ATOM 147 CG HIS A 11 -1.346 -16.631 -1.233 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.380 -17.998 -1.107 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.386 -16.231 -2.006 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.431 -18.400 -1.799 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.073 -17.365 -2.362 1.00 0.00 N ATOM 0 H HIS A 11 -1.270 -15.290 1.680 1.00 0.00 H new ATOM 0 HA HIS A 11 0.309 -17.493 0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.668 -14.812 -0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.557 -15.701 -1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.627 -15.217 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -2.735 -19.431 -1.899 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.910 -17.412 -2.943 1.00 0.00 H new ATOM 159 N ILE A 12 1.658 -14.574 1.412 1.00 0.00 N ATOM 160 CA ILE A 12 2.916 -13.915 1.745 1.00 0.00 C ATOM 161 C ILE A 12 3.099 -13.818 3.254 1.00 0.00 C ATOM 162 O ILE A 12 2.143 -13.568 3.990 1.00 0.00 O ATOM 163 CB ILE A 12 2.982 -12.499 1.137 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.273 -11.790 1.559 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.766 -11.686 1.556 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.261 -11.617 0.427 1.00 0.00 C ATOM 0 H ILE A 12 0.837 -13.972 1.478 1.00 0.00 H new ATOM 0 HA ILE A 12 3.717 -14.522 1.323 1.00 0.00 H new ATOM 0 HB ILE A 12 2.981 -12.590 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.024 -10.810 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.746 -12.358 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.827 -10.689 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.860 -12.181 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.739 -11.605 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.152 -11.108 0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.539 -12.595 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.806 -11.023 -0.366 1.00 0.00 H new ATOM 178 N SER A 13 4.334 -14.012 3.709 1.00 0.00 N ATOM 179 CA SER A 13 4.642 -13.936 5.132 1.00 0.00 C ATOM 180 C SER A 13 4.183 -12.601 5.701 1.00 0.00 C ATOM 181 O SER A 13 3.507 -12.552 6.729 1.00 0.00 O ATOM 182 CB SER A 13 6.144 -14.112 5.364 1.00 0.00 C ATOM 183 OG SER A 13 6.433 -15.397 5.888 1.00 0.00 O ATOM 0 H SER A 13 5.135 -14.222 3.114 1.00 0.00 H new ATOM 0 HA SER A 13 4.111 -14.740 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.679 -13.970 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.501 -13.346 6.053 1.00 0.00 H new ATOM 0 HG SER A 13 7.399 -15.484 6.026 1.00 0.00 H new ATOM 189 N LYS A 14 4.549 -11.520 5.019 1.00 0.00 N ATOM 190 CA LYS A 14 4.168 -10.183 5.449 1.00 0.00 C ATOM 191 C LYS A 14 4.448 -9.157 4.357 1.00 0.00 C ATOM 192 O LYS A 14 5.436 -9.259 3.631 1.00 0.00 O ATOM 193 CB LYS A 14 4.924 -9.805 6.725 1.00 0.00 C ATOM 194 CG LYS A 14 6.434 -9.913 6.589 1.00 0.00 C ATOM 195 CD LYS A 14 7.112 -9.994 7.947 1.00 0.00 C ATOM 196 CE LYS A 14 7.579 -8.626 8.418 1.00 0.00 C ATOM 197 NZ LYS A 14 6.457 -7.648 8.479 1.00 0.00 N ATOM 0 H LYS A 14 5.109 -11.546 4.167 1.00 0.00 H new ATOM 0 HA LYS A 14 3.097 -10.184 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.664 -8.783 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.593 -10.450 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.685 -10.797 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.814 -9.050 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.420 -10.414 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.964 -10.671 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.035 -8.717 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.350 -8.253 7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.749 -6.819 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.205 -7.348 7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.632 -8.093 8.930 1.00 0.00 H new ATOM 211 N TYR A 15 3.574 -8.162 4.256 1.00 0.00 N ATOM 212 CA TYR A 15 3.722 -7.106 3.266 1.00 0.00 C ATOM 213 C TYR A 15 3.924 -5.765 3.957 1.00 0.00 C ATOM 214 O TYR A 15 3.228 -5.449 4.920 1.00 0.00 O ATOM 215 CB TYR A 15 2.485 -7.040 2.368 1.00 0.00 C ATOM 216 CG TYR A 15 2.764 -7.361 0.918 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.585 -6.546 0.151 1.00 0.00 C ATOM 218 CD2 TYR A 15 2.203 -8.480 0.315 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.839 -6.835 -1.176 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.453 -8.777 -1.010 1.00 0.00 C ATOM 221 CZ TYR A 15 3.270 -7.952 -1.752 1.00 0.00 C ATOM 222 OH TYR A 15 3.522 -8.245 -3.072 1.00 0.00 O ATOM 0 H TYR A 15 2.752 -8.066 4.852 1.00 0.00 H new ATOM 0 HA TYR A 15 4.594 -7.329 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.736 -7.735 2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.054 -6.041 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.033 -5.671 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.561 -9.128 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.479 -6.190 -1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.010 -9.652 -1.463 1.00 0.00 H new ATOM 0 HH TYR A 15 3.047 -9.065 -3.322 1.00 0.00 H new ATOM 232 N ILE A 16 4.872 -4.977 3.468 1.00 0.00 N ATOM 233 CA ILE A 16 5.141 -3.673 4.055 1.00 0.00 C ATOM 234 C ILE A 16 4.814 -2.556 3.082 1.00 0.00 C ATOM 235 O ILE A 16 5.169 -2.611 1.905 1.00 0.00 O ATOM 236 CB ILE A 16 6.611 -3.527 4.503 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.861 -4.336 5.778 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.962 -2.056 4.718 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.025 -3.890 6.960 1.00 0.00 C ATOM 0 H ILE A 16 5.463 -5.216 2.672 1.00 0.00 H new ATOM 0 HA ILE A 16 4.499 -3.597 4.933 1.00 0.00 H new ATOM 0 HB ILE A 16 7.255 -3.918 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.656 -5.387 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.916 -4.262 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.002 -1.972 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.820 -1.508 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.315 -1.636 5.488 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.258 -4.510 7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.247 -2.848 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.967 -3.990 6.716 1.00 0.00 H new ATOM 251 N LEU A 17 4.149 -1.534 3.594 1.00 0.00 N ATOM 252 CA LEU A 17 3.782 -0.384 2.791 1.00 0.00 C ATOM 253 C LEU A 17 4.497 0.856 3.303 1.00 0.00 C ATOM 254 O LEU A 17 4.256 1.303 4.425 1.00 0.00 O ATOM 255 CB LEU A 17 2.272 -0.172 2.840 1.00 0.00 C ATOM 256 CG LEU A 17 1.643 0.311 1.532 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.554 -0.647 1.078 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.084 1.715 1.697 1.00 0.00 C ATOM 0 H LEU A 17 3.852 -1.479 4.568 1.00 0.00 H new ATOM 0 HA LEU A 17 4.080 -0.565 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.798 -1.110 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.047 0.553 3.623 1.00 0.00 H new ATOM 0 HG LEU A 17 2.418 0.337 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.118 -0.287 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.983 -1.637 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.221 -0.705 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.640 2.043 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.322 1.714 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.888 2.396 1.976 1.00 0.00 H new ATOM 270 N ARG A 18 5.377 1.409 2.479 1.00 0.00 N ATOM 271 CA ARG A 18 6.121 2.597 2.863 1.00 0.00 C ATOM 272 C ARG A 18 5.740 3.777 1.988 1.00 0.00 C ATOM 273 O ARG A 18 5.748 3.678 0.764 1.00 0.00 O ATOM 274 CB ARG A 18 7.626 2.338 2.767 1.00 0.00 C ATOM 275 CG ARG A 18 8.156 1.417 3.852 1.00 0.00 C ATOM 276 CD ARG A 18 9.232 0.488 3.312 1.00 0.00 C ATOM 277 NE ARG A 18 10.549 0.798 3.862 1.00 0.00 N ATOM 278 CZ ARG A 18 11.589 -0.026 3.791 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.464 -1.208 3.202 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.756 0.329 4.311 1.00 0.00 N ATOM 0 H ARG A 18 5.591 1.055 1.546 1.00 0.00 H new ATOM 0 HA ARG A 18 5.869 2.836 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.850 1.904 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.154 3.290 2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.563 2.012 4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.337 0.827 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.973 -0.544 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.266 0.565 2.225 1.00 0.00 H new ATOM 0 HE ARG A 18 10.678 1.697 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.568 -1.486 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.264 -1.839 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.857 1.236 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.553 -0.305 4.255 1.00 0.00 H new ATOM 294 N TRP A 19 5.408 4.895 2.617 1.00 0.00 N ATOM 295 CA TRP A 19 5.027 6.087 1.871 1.00 0.00 C ATOM 296 C TRP A 19 5.498 7.361 2.563 1.00 0.00 C ATOM 297 O TRP A 19 5.697 7.390 3.779 1.00 0.00 O ATOM 298 CB TRP A 19 3.509 6.125 1.649 1.00 0.00 C ATOM 299 CG TRP A 19 2.724 6.605 2.833 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.406 7.899 3.137 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.148 5.797 3.866 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.670 7.943 4.297 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.497 6.666 4.762 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.117 4.422 4.119 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.826 6.205 5.892 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.451 3.966 5.241 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.812 4.855 6.115 1.00 0.00 C ATOM 0 H TRP A 19 5.394 5.003 3.631 1.00 0.00 H new ATOM 0 HA TRP A 19 5.522 6.037 0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.294 6.772 0.799 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.167 5.125 1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.691 8.761 2.552 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.311 8.789 4.740 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.605 3.729 3.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.334 6.889 6.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.423 2.906 5.447 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.298 4.467 6.982 1.00 0.00 H new ATOM 318 N ARG A 20 5.670 8.408 1.761 1.00 0.00 N ATOM 319 CA ARG A 20 6.113 9.705 2.249 1.00 0.00 C ATOM 320 C ARG A 20 5.735 10.792 1.245 1.00 0.00 C ATOM 321 O ARG A 20 5.619 10.522 0.050 1.00 0.00 O ATOM 322 CB ARG A 20 7.625 9.699 2.473 1.00 0.00 C ATOM 323 CG ARG A 20 8.423 9.449 1.204 1.00 0.00 C ATOM 324 CD ARG A 20 9.359 10.605 0.895 1.00 0.00 C ATOM 325 NE ARG A 20 10.759 10.242 1.092 1.00 0.00 N ATOM 326 CZ ARG A 20 11.561 10.836 1.971 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.105 11.823 2.732 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.822 10.444 2.087 1.00 0.00 N ATOM 0 H ARG A 20 5.505 8.378 0.755 1.00 0.00 H new ATOM 0 HA ARG A 20 5.622 9.911 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.925 10.656 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.873 8.932 3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.001 8.531 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.740 9.299 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.209 10.927 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.111 11.453 1.533 1.00 0.00 H new ATOM 0 HE ARG A 20 11.145 9.489 0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.136 12.129 2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.724 12.276 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.177 9.687 1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.438 10.899 2.761 1.00 0.00 H new ATOM 342 N PRO A 21 5.532 12.036 1.708 1.00 0.00 N ATOM 343 CA PRO A 21 5.159 13.152 0.827 1.00 0.00 C ATOM 344 C PRO A 21 6.189 13.392 -0.269 1.00 0.00 C ATOM 345 O PRO A 21 7.353 13.684 0.007 1.00 0.00 O ATOM 346 CB PRO A 21 5.095 14.349 1.779 1.00 0.00 C ATOM 347 CG PRO A 21 4.846 13.740 3.112 1.00 0.00 C ATOM 348 CD PRO A 21 5.629 12.462 3.113 1.00 0.00 C ATOM 0 HA PRO A 21 4.224 12.962 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.025 14.917 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.297 15.038 1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.172 14.402 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.784 13.551 3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.663 12.618 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.203 11.724 3.792 1.00 0.00 H new ATOM 356 N LYS A 22 5.749 13.259 -1.516 1.00 0.00 N ATOM 357 CA LYS A 22 6.623 13.452 -2.668 1.00 0.00 C ATOM 358 C LYS A 22 7.183 14.872 -2.711 1.00 0.00 C ATOM 359 O LYS A 22 8.229 15.116 -3.312 1.00 0.00 O ATOM 360 CB LYS A 22 5.860 13.154 -3.959 1.00 0.00 C ATOM 361 CG LYS A 22 6.673 12.374 -4.977 1.00 0.00 C ATOM 362 CD LYS A 22 5.783 11.517 -5.862 1.00 0.00 C ATOM 363 CE LYS A 22 5.760 12.031 -7.292 1.00 0.00 C ATOM 364 NZ LYS A 22 5.755 10.918 -8.282 1.00 0.00 N ATOM 0 H LYS A 22 4.787 13.017 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 22 7.461 12.761 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.959 12.591 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.538 14.094 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.244 13.066 -5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.393 11.740 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.140 10.487 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.769 11.508 -5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.877 12.653 -7.440 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.629 12.666 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.342 11.251 -9.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.730 10.598 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.189 10.127 -7.912 1.00 0.00 H new ATOM 378 N ASN A 23 6.481 15.805 -2.075 1.00 0.00 N ATOM 379 CA ASN A 23 6.913 17.199 -2.048 1.00 0.00 C ATOM 380 C ASN A 23 7.637 17.524 -0.746 1.00 0.00 C ATOM 381 O ASN A 23 8.594 18.299 -0.734 1.00 0.00 O ATOM 382 CB ASN A 23 5.713 18.130 -2.221 1.00 0.00 C ATOM 383 CG ASN A 23 5.274 18.245 -3.666 1.00 0.00 C ATOM 384 OD1 ASN A 23 5.370 19.312 -4.274 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.791 17.144 -4.226 1.00 0.00 N ATOM 0 H ASN A 23 5.612 15.622 -1.572 1.00 0.00 H new ATOM 0 HA ASN A 23 7.607 17.351 -2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.882 17.762 -1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.967 19.120 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.481 17.160 -5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.729 16.281 -3.685 1.00 0.00 H new ATOM 392 N SER A 24 7.172 16.931 0.348 1.00 0.00 N ATOM 393 CA SER A 24 7.773 17.161 1.658 1.00 0.00 C ATOM 394 C SER A 24 8.624 15.969 2.086 1.00 0.00 C ATOM 395 O SER A 24 8.106 14.880 2.329 1.00 0.00 O ATOM 396 CB SER A 24 6.685 17.425 2.700 1.00 0.00 C ATOM 397 OG SER A 24 6.346 18.801 2.747 1.00 0.00 O ATOM 0 H SER A 24 6.381 16.287 0.354 1.00 0.00 H new ATOM 0 HA SER A 24 8.419 18.036 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.799 16.837 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.030 17.099 3.681 1.00 0.00 H new ATOM 0 HG SER A 24 5.647 18.943 3.419 1.00 0.00 H new ATOM 403 N VAL A 25 9.933 16.186 2.177 1.00 0.00 N ATOM 404 CA VAL A 25 10.856 15.130 2.579 1.00 0.00 C ATOM 405 C VAL A 25 11.152 15.197 4.073 1.00 0.00 C ATOM 406 O VAL A 25 11.518 16.249 4.598 1.00 0.00 O ATOM 407 CB VAL A 25 12.184 15.211 1.800 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.033 14.593 0.419 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.659 16.652 1.696 1.00 0.00 C ATOM 0 H VAL A 25 10.378 17.082 1.978 1.00 0.00 H new ATOM 0 HA VAL A 25 10.368 14.183 2.349 1.00 0.00 H new ATOM 0 HB VAL A 25 12.937 14.644 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.981 14.660 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.745 13.546 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.264 15.129 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.597 16.687 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.908 17.246 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.812 17.058 2.696 1.00 0.00 H new ATOM 419 N GLY A 26 10.993 14.066 4.752 1.00 0.00 N ATOM 420 CA GLY A 26 11.247 14.014 6.180 1.00 0.00 C ATOM 421 C GLY A 26 11.395 12.596 6.693 1.00 0.00 C ATOM 422 O GLY A 26 12.417 12.245 7.283 1.00 0.00 O ATOM 0 H GLY A 26 10.692 13.183 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.154 14.575 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.430 14.505 6.709 1.00 0.00 H new ATOM 426 N ARG A 27 10.369 11.779 6.468 1.00 0.00 N ATOM 427 CA ARG A 27 10.382 10.390 6.910 1.00 0.00 C ATOM 428 C ARG A 27 9.237 9.609 6.273 1.00 0.00 C ATOM 429 O ARG A 27 8.194 10.175 5.946 1.00 0.00 O ATOM 430 CB ARG A 27 10.281 10.320 8.436 1.00 0.00 C ATOM 431 CG ARG A 27 11.119 9.212 9.054 1.00 0.00 C ATOM 432 CD ARG A 27 11.948 9.726 10.220 1.00 0.00 C ATOM 433 NE ARG A 27 12.009 8.761 11.315 1.00 0.00 N ATOM 434 CZ ARG A 27 12.756 8.926 12.403 1.00 0.00 C ATOM 435 NH1 ARG A 27 13.508 10.012 12.540 1.00 0.00 N ATOM 436 NH2 ARG A 27 12.752 8.005 13.357 1.00 0.00 N ATOM 0 H ARG A 27 9.517 12.057 5.981 1.00 0.00 H new ATOM 0 HA ARG A 27 11.323 9.939 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.593 11.276 8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.238 10.174 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.467 8.409 9.396 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.778 8.787 8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.958 9.949 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.522 10.661 10.584 1.00 0.00 H new ATOM 0 HE ARG A 27 11.447 7.913 11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.514 10.724 11.809 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.079 10.135 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.176 7.169 13.257 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.325 8.132 14.191 1.00 0.00 H new ATOM 450 N TRP A 28 9.440 8.307 6.096 1.00 0.00 N ATOM 451 CA TRP A 28 8.426 7.448 5.493 1.00 0.00 C ATOM 452 C TRP A 28 7.469 6.908 6.552 1.00 0.00 C ATOM 453 O TRP A 28 7.489 7.343 7.704 1.00 0.00 O ATOM 454 CB TRP A 28 9.087 6.280 4.754 1.00 0.00 C ATOM 455 CG TRP A 28 10.014 6.707 3.656 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.191 7.386 3.793 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.842 6.481 2.253 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.758 7.599 2.560 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.950 7.052 1.599 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.857 5.850 1.485 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.100 7.013 0.215 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.009 5.812 0.111 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.122 6.389 -0.511 1.00 0.00 C ATOM 0 H TRP A 28 10.298 7.823 6.362 1.00 0.00 H new ATOM 0 HA TRP A 28 7.858 8.048 4.782 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.642 5.676 5.471 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.310 5.642 4.333 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.614 7.708 4.733 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.638 8.086 2.388 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.995 5.401 1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.957 7.459 -0.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.255 5.328 -0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.211 6.341 -1.586 1.00 0.00 H new ATOM 474 N LYS A 29 6.641 5.948 6.153 1.00 0.00 N ATOM 475 CA LYS A 29 5.682 5.329 7.059 1.00 0.00 C ATOM 476 C LYS A 29 5.568 3.849 6.731 1.00 0.00 C ATOM 477 O LYS A 29 5.790 3.454 5.590 1.00 0.00 O ATOM 478 CB LYS A 29 4.318 6.011 6.946 1.00 0.00 C ATOM 479 CG LYS A 29 4.245 7.341 7.679 1.00 0.00 C ATOM 480 CD LYS A 29 2.845 7.610 8.205 1.00 0.00 C ATOM 481 CE LYS A 29 2.879 8.216 9.597 1.00 0.00 C ATOM 482 NZ LYS A 29 1.806 9.233 9.784 1.00 0.00 N ATOM 0 H LYS A 29 6.616 5.580 5.202 1.00 0.00 H new ATOM 0 HA LYS A 29 6.030 5.445 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.087 6.172 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.553 5.344 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.953 7.340 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.543 8.145 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.324 8.285 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.278 6.679 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.765 7.427 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.851 8.678 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.862 9.624 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.929 9.999 9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.877 8.787 9.645 1.00 0.00 H new ATOM 496 N GLU A 30 5.248 3.028 7.727 1.00 0.00 N ATOM 497 CA GLU A 30 5.145 1.588 7.508 1.00 0.00 C ATOM 498 C GLU A 30 3.753 1.049 7.822 1.00 0.00 C ATOM 499 O GLU A 30 3.144 1.400 8.832 1.00 0.00 O ATOM 500 CB GLU A 30 6.181 0.852 8.359 1.00 0.00 C ATOM 501 CG GLU A 30 7.611 1.310 8.114 1.00 0.00 C ATOM 502 CD GLU A 30 8.626 0.212 8.367 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.560 -0.422 9.440 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.486 -0.012 7.490 1.00 0.00 O ATOM 0 H GLU A 30 5.058 3.330 8.683 1.00 0.00 H new ATOM 0 HA GLU A 30 5.336 1.412 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.939 0.993 9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.111 -0.217 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.706 1.658 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.832 2.160 8.760 1.00 0.00 H new ATOM 511 N ALA A 31 3.273 0.172 6.945 1.00 0.00 N ATOM 512 CA ALA A 31 1.968 -0.457 7.104 1.00 0.00 C ATOM 513 C ALA A 31 2.041 -1.918 6.672 1.00 0.00 C ATOM 514 O ALA A 31 2.223 -2.215 5.492 1.00 0.00 O ATOM 515 CB ALA A 31 0.917 0.286 6.294 1.00 0.00 C ATOM 0 H ALA A 31 3.776 -0.121 6.108 1.00 0.00 H new ATOM 0 HA ALA A 31 1.681 -0.414 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.051 -0.197 6.424 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.856 1.319 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.192 0.270 5.239 1.00 0.00 H new ATOM 521 N THR A 32 1.917 -2.827 7.633 1.00 0.00 N ATOM 522 CA THR A 32 1.992 -4.254 7.340 1.00 0.00 C ATOM 523 C THR A 32 0.624 -4.847 7.023 1.00 0.00 C ATOM 524 O THR A 32 -0.376 -4.511 7.656 1.00 0.00 O ATOM 525 CB THR A 32 2.613 -5.041 8.507 1.00 0.00 C ATOM 526 OG1 THR A 32 3.720 -4.315 9.055 1.00 0.00 O ATOM 527 CG2 THR A 32 3.081 -6.414 8.039 1.00 0.00 C ATOM 0 H THR A 32 1.765 -2.603 8.616 1.00 0.00 H new ATOM 0 HA THR A 32 2.630 -4.345 6.461 1.00 0.00 H new ATOM 0 HB THR A 32 1.852 -5.173 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.108 -4.822 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.517 -6.955 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.232 -6.974 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.829 -6.296 7.255 1.00 0.00 H new ATOM 535 N ILE A 33 0.601 -5.745 6.042 1.00 0.00 N ATOM 536 CA ILE A 33 -0.627 -6.411 5.632 1.00 0.00 C ATOM 537 C ILE A 33 -0.366 -7.888 5.344 1.00 0.00 C ATOM 538 O ILE A 33 0.408 -8.224 4.446 1.00 0.00 O ATOM 539 CB ILE A 33 -1.253 -5.759 4.380 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.311 -4.707 3.789 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.598 -5.137 4.725 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.529 -4.465 2.310 1.00 0.00 C ATOM 0 H ILE A 33 1.427 -6.028 5.514 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.329 -6.310 6.460 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.410 -6.534 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.444 -3.768 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.720 -5.022 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.028 -4.681 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.271 -5.909 5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.460 -4.375 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.172 -3.708 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.367 -5.393 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.549 -4.119 2.144 1.00 0.00 H new ATOM 554 N PRO A 34 -1.003 -8.795 6.107 1.00 0.00 N ATOM 555 CA PRO A 34 -0.828 -10.238 5.927 1.00 0.00 C ATOM 556 C PRO A 34 -1.591 -10.765 4.716 1.00 0.00 C ATOM 557 O PRO A 34 -2.732 -11.216 4.836 1.00 0.00 O ATOM 558 CB PRO A 34 -1.396 -10.821 7.219 1.00 0.00 C ATOM 559 CG PRO A 34 -2.430 -9.838 7.649 1.00 0.00 C ATOM 560 CD PRO A 34 -1.938 -8.486 7.208 1.00 0.00 C ATOM 0 HA PRO A 34 0.212 -10.508 5.743 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.830 -11.807 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.621 -10.938 7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.395 -10.067 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.569 -9.868 8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.758 -7.852 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.439 -7.957 8.020 1.00 0.00 H new ATOM 568 N GLY A 35 -0.956 -10.702 3.550 1.00 0.00 N ATOM 569 CA GLY A 35 -1.587 -11.172 2.332 1.00 0.00 C ATOM 570 C GLY A 35 -2.571 -10.165 1.771 1.00 0.00 C ATOM 571 O GLY A 35 -2.177 -9.209 1.101 1.00 0.00 O ATOM 0 H GLY A 35 -0.013 -10.333 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.821 -11.383 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.104 -12.110 2.532 1.00 0.00 H new ATOM 575 N HIS A 36 -3.853 -10.376 2.048 1.00 0.00 N ATOM 576 CA HIS A 36 -4.895 -9.477 1.570 1.00 0.00 C ATOM 577 C HIS A 36 -6.205 -9.723 2.309 1.00 0.00 C ATOM 578 O HIS A 36 -6.991 -10.591 1.930 1.00 0.00 O ATOM 579 CB HIS A 36 -5.103 -9.651 0.064 1.00 0.00 C ATOM 580 CG HIS A 36 -5.344 -8.360 -0.660 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.235 -8.275 -2.027 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.680 -7.143 -0.166 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.506 -7.020 -2.334 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.782 -6.294 -1.239 1.00 0.00 N ATOM 0 H HIS A 36 -4.195 -11.162 2.601 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.574 -8.454 1.766 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.226 -10.139 -0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.950 -10.316 -0.103 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.837 -6.890 0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.506 -6.627 -3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.021 -5.303 -1.210 1.00 0.00 H new ATOM 592 N LEU A 37 -6.432 -8.952 3.368 1.00 0.00 N ATOM 593 CA LEU A 37 -7.647 -9.084 4.163 1.00 0.00 C ATOM 594 C LEU A 37 -8.799 -8.315 3.527 1.00 0.00 C ATOM 595 O LEU A 37 -9.956 -8.728 3.614 1.00 0.00 O ATOM 596 CB LEU A 37 -7.411 -8.579 5.592 1.00 0.00 C ATOM 597 CG LEU A 37 -5.946 -8.360 5.975 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.514 -6.941 5.644 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.735 -8.650 7.453 1.00 0.00 C ATOM 0 H LEU A 37 -5.790 -8.230 3.695 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.912 -10.141 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.947 -7.639 5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.849 -9.294 6.289 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.332 -9.050 5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.469 -6.804 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.629 -6.766 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.133 -6.234 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.688 -8.490 7.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.360 -7.984 8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.005 -9.685 7.663 1.00 0.00 H new ATOM 611 N ASN A 38 -8.471 -7.194 2.889 1.00 0.00 N ATOM 612 CA ASN A 38 -9.471 -6.354 2.233 1.00 0.00 C ATOM 613 C ASN A 38 -8.811 -5.141 1.581 1.00 0.00 C ATOM 614 O ASN A 38 -7.602 -5.132 1.348 1.00 0.00 O ATOM 615 CB ASN A 38 -10.525 -5.893 3.242 1.00 0.00 C ATOM 616 CG ASN A 38 -10.023 -4.775 4.138 1.00 0.00 C ATOM 617 OD1 ASN A 38 -10.728 -3.795 4.379 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.799 -4.917 4.632 1.00 0.00 N ATOM 0 H ASN A 38 -7.516 -6.845 2.812 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.957 -6.946 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.412 -5.554 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.828 -6.740 3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.407 -4.197 5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.251 -5.747 4.405 1.00 0.00 H new ATOM 625 N SER A 39 -9.611 -4.117 1.295 1.00 0.00 N ATOM 626 CA SER A 39 -9.101 -2.899 0.677 1.00 0.00 C ATOM 627 C SER A 39 -8.586 -1.931 1.738 1.00 0.00 C ATOM 628 O SER A 39 -9.369 -1.308 2.455 1.00 0.00 O ATOM 629 CB SER A 39 -10.192 -2.229 -0.160 1.00 0.00 C ATOM 630 OG SER A 39 -11.408 -2.139 0.562 1.00 0.00 O ATOM 0 H SER A 39 -10.614 -4.108 1.482 1.00 0.00 H new ATOM 0 HA SER A 39 -8.272 -3.170 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.867 -1.232 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.351 -2.797 -1.077 1.00 0.00 H new ATOM 0 HG SER A 39 -11.223 -1.847 1.479 1.00 0.00 H new ATOM 636 N TYR A 40 -7.266 -1.814 1.834 1.00 0.00 N ATOM 637 CA TYR A 40 -6.642 -0.926 2.808 1.00 0.00 C ATOM 638 C TYR A 40 -6.453 0.472 2.230 1.00 0.00 C ATOM 639 O TYR A 40 -5.673 0.667 1.297 1.00 0.00 O ATOM 640 CB TYR A 40 -5.294 -1.499 3.250 1.00 0.00 C ATOM 641 CG TYR A 40 -4.849 -1.019 4.613 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.210 -1.706 5.765 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.065 0.120 4.746 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.804 -1.271 7.012 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.654 0.561 5.989 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.026 -0.137 7.118 1.00 0.00 C ATOM 647 OH TYR A 40 -3.620 0.299 8.358 1.00 0.00 O ATOM 0 H TYR A 40 -6.606 -2.325 1.247 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.301 -0.850 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.357 -2.587 3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.536 -1.231 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.818 -2.595 5.685 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.772 0.670 3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.094 -1.816 7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.044 1.448 6.076 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.078 1.110 8.259 1.00 0.00 H new ATOM 657 N THR A 41 -7.173 1.442 2.786 1.00 0.00 N ATOM 658 CA THR A 41 -7.087 2.822 2.321 1.00 0.00 C ATOM 659 C THR A 41 -6.373 3.710 3.336 1.00 0.00 C ATOM 660 O THR A 41 -6.606 3.607 4.540 1.00 0.00 O ATOM 661 CB THR A 41 -8.484 3.408 2.042 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.344 2.394 1.508 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.398 4.571 1.065 1.00 0.00 C ATOM 0 H THR A 41 -7.822 1.298 3.559 1.00 0.00 H new ATOM 0 HA THR A 41 -6.513 2.803 1.395 1.00 0.00 H new ATOM 0 HB THR A 41 -8.894 3.773 2.983 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.230 2.775 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.397 4.968 0.883 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.767 5.354 1.486 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.969 4.225 0.125 1.00 0.00 H new ATOM 671 N ILE A 42 -5.508 4.587 2.835 1.00 0.00 N ATOM 672 CA ILE A 42 -4.761 5.504 3.689 1.00 0.00 C ATOM 673 C ILE A 42 -5.314 6.922 3.574 1.00 0.00 C ATOM 674 O ILE A 42 -5.281 7.526 2.501 1.00 0.00 O ATOM 675 CB ILE A 42 -3.260 5.514 3.324 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.634 4.150 3.618 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.528 6.611 4.084 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.514 3.782 2.670 1.00 0.00 C ATOM 0 H ILE A 42 -5.307 4.682 1.840 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.872 5.153 4.715 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.166 5.718 2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.251 4.148 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.409 3.385 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.473 6.600 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.958 7.579 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.628 6.440 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.117 2.803 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.896 3.752 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.720 4.526 2.738 1.00 0.00 H new ATOM 690 N LYS A 43 -5.824 7.447 4.684 1.00 0.00 N ATOM 691 CA LYS A 43 -6.387 8.793 4.706 1.00 0.00 C ATOM 692 C LYS A 43 -5.577 9.708 5.619 1.00 0.00 C ATOM 693 O LYS A 43 -5.308 9.369 6.773 1.00 0.00 O ATOM 694 CB LYS A 43 -7.844 8.751 5.170 1.00 0.00 C ATOM 695 CG LYS A 43 -8.698 9.868 4.594 1.00 0.00 C ATOM 696 CD LYS A 43 -10.179 9.546 4.702 1.00 0.00 C ATOM 697 CE LYS A 43 -10.968 10.168 3.562 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.710 11.629 3.440 1.00 0.00 N ATOM 0 H LYS A 43 -5.859 6.961 5.580 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.346 9.193 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.278 7.791 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.872 8.808 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.487 10.798 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.434 10.028 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.319 8.465 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.564 9.912 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.705 9.674 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.033 10.000 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.581 12.112 3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.404 12.006 4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.964 11.792 2.734 1.00 0.00 H new ATOM 712 N GLY A 44 -5.195 10.870 5.097 1.00 0.00 N ATOM 713 CA GLY A 44 -4.423 11.817 5.881 1.00 0.00 C ATOM 714 C GLY A 44 -3.576 12.735 5.022 1.00 0.00 C ATOM 715 O GLY A 44 -2.752 13.490 5.538 1.00 0.00 O ATOM 0 H GLY A 44 -5.406 11.172 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.101 12.417 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.777 11.271 6.569 1.00 0.00 H new ATOM 719 N LEU A 45 -3.775 12.672 3.708 1.00 0.00 N ATOM 720 CA LEU A 45 -3.024 13.499 2.783 1.00 0.00 C ATOM 721 C LEU A 45 -3.603 14.910 2.732 1.00 0.00 C ATOM 722 O LEU A 45 -4.390 15.295 3.597 1.00 0.00 O ATOM 723 CB LEU A 45 -3.024 12.855 1.390 1.00 0.00 C ATOM 724 CG LEU A 45 -2.740 11.345 1.355 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.650 10.978 2.347 1.00 0.00 C ATOM 726 CD2 LEU A 45 -4.005 10.547 1.636 1.00 0.00 C ATOM 0 H LEU A 45 -4.453 12.053 3.264 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.994 13.574 3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.994 13.035 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.279 13.361 0.776 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.393 11.093 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.466 9.904 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.734 11.513 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.966 11.252 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.777 9.481 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.388 10.808 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.757 10.779 0.882 1.00 0.00 H new ATOM 738 N LYS A 46 -3.205 15.685 1.727 1.00 0.00 N ATOM 739 CA LYS A 46 -3.687 17.057 1.590 1.00 0.00 C ATOM 740 C LYS A 46 -4.180 17.336 0.172 1.00 0.00 C ATOM 741 O LYS A 46 -3.591 16.867 -0.801 1.00 0.00 O ATOM 742 CB LYS A 46 -2.579 18.047 1.953 1.00 0.00 C ATOM 743 CG LYS A 46 -1.734 17.617 3.140 1.00 0.00 C ATOM 744 CD LYS A 46 -0.644 18.632 3.443 1.00 0.00 C ATOM 745 CE LYS A 46 0.672 17.950 3.781 1.00 0.00 C ATOM 746 NZ LYS A 46 1.557 17.831 2.589 1.00 0.00 N ATOM 0 H LYS A 46 -2.554 15.389 0.999 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.526 17.182 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.930 18.184 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.028 19.016 2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.371 17.493 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.282 16.647 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.505 19.287 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.953 19.262 4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.185 18.515 4.559 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.473 16.958 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.524 17.601 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.203 17.076 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.563 18.732 2.070 1.00 0.00 H new ATOM 760 N PRO A 47 -5.270 18.116 0.040 1.00 0.00 N ATOM 761 CA PRO A 47 -5.840 18.468 -1.265 1.00 0.00 C ATOM 762 C PRO A 47 -4.840 19.221 -2.139 1.00 0.00 C ATOM 763 O PRO A 47 -4.713 20.441 -2.041 1.00 0.00 O ATOM 764 CB PRO A 47 -7.026 19.375 -0.916 1.00 0.00 C ATOM 765 CG PRO A 47 -7.339 19.075 0.510 1.00 0.00 C ATOM 766 CD PRO A 47 -6.029 18.716 1.150 1.00 0.00 C ATOM 0 HA PRO A 47 -6.123 17.583 -1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.771 20.426 -1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.882 19.169 -1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.791 19.937 1.001 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.051 18.254 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.525 19.593 1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.161 18.015 1.974 1.00 0.00 H new ATOM 774 N GLY A 48 -4.131 18.485 -2.989 1.00 0.00 N ATOM 775 CA GLY A 48 -3.149 19.102 -3.862 1.00 0.00 C ATOM 776 C GLY A 48 -1.766 18.505 -3.687 1.00 0.00 C ATOM 777 O GLY A 48 -0.950 18.535 -4.608 1.00 0.00 O ATOM 0 H GLY A 48 -4.219 17.474 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.464 18.985 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.108 20.172 -3.660 1.00 0.00 H new ATOM 781 N VAL A 49 -1.505 17.958 -2.503 1.00 0.00 N ATOM 782 CA VAL A 49 -0.213 17.347 -2.213 1.00 0.00 C ATOM 783 C VAL A 49 -0.243 15.853 -2.508 1.00 0.00 C ATOM 784 O VAL A 49 -1.126 15.137 -2.035 1.00 0.00 O ATOM 785 CB VAL A 49 0.201 17.552 -0.742 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.672 17.213 -0.550 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.086 18.976 -0.293 1.00 0.00 C ATOM 0 H VAL A 49 -2.170 17.926 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 49 0.517 17.838 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.391 16.877 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.947 17.363 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.844 16.172 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.280 17.860 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.214 19.097 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.474 19.674 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.152 19.180 -0.389 1.00 0.00 H new ATOM 797 N VAL A 50 0.725 15.387 -3.288 1.00 0.00 N ATOM 798 CA VAL A 50 0.802 13.976 -3.637 1.00 0.00 C ATOM 799 C VAL A 50 1.725 13.229 -2.684 1.00 0.00 C ATOM 800 O VAL A 50 2.716 13.779 -2.203 1.00 0.00 O ATOM 801 CB VAL A 50 1.276 13.778 -5.096 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.396 12.751 -5.188 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.107 13.358 -5.966 1.00 0.00 C ATOM 0 H VAL A 50 1.464 15.964 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.204 13.566 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 50 1.671 14.729 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.702 12.639 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.246 13.085 -4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.043 11.792 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.448 13.220 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.307 12.421 -5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.662 14.130 -5.940 1.00 0.00 H new ATOM 813 N TYR A 51 1.395 11.972 -2.420 1.00 0.00 N ATOM 814 CA TYR A 51 2.199 11.149 -1.527 1.00 0.00 C ATOM 815 C TYR A 51 2.776 9.953 -2.269 1.00 0.00 C ATOM 816 O TYR A 51 2.038 9.155 -2.848 1.00 0.00 O ATOM 817 CB TYR A 51 1.363 10.679 -0.337 1.00 0.00 C ATOM 818 CG TYR A 51 1.222 11.719 0.750 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.562 12.919 0.509 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.745 11.501 2.019 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.430 13.872 1.500 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.615 12.450 3.016 1.00 0.00 C ATOM 823 CZ TYR A 51 0.958 13.633 2.752 1.00 0.00 C ATOM 824 OH TYR A 51 0.828 14.579 3.741 1.00 0.00 O ATOM 0 H TYR A 51 0.579 11.501 -2.810 1.00 0.00 H new ATOM 0 HA TYR A 51 3.025 11.756 -1.157 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.371 10.397 -0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.818 9.783 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.146 13.109 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.261 10.576 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.084 14.800 1.296 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.026 12.265 3.997 1.00 0.00 H new ATOM 0 HH TYR A 51 1.254 14.255 4.562 1.00 0.00 H new ATOM 834 N GLU A 52 4.099 9.833 -2.248 1.00 0.00 N ATOM 835 CA GLU A 52 4.771 8.727 -2.923 1.00 0.00 C ATOM 836 C GLU A 52 4.800 7.497 -2.024 1.00 0.00 C ATOM 837 O GLU A 52 4.849 7.618 -0.803 1.00 0.00 O ATOM 838 CB GLU A 52 6.194 9.127 -3.330 1.00 0.00 C ATOM 839 CG GLU A 52 7.163 9.233 -2.165 1.00 0.00 C ATOM 840 CD GLU A 52 8.523 8.643 -2.484 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.568 7.526 -3.042 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.542 9.296 -2.180 1.00 0.00 O ATOM 0 H GLU A 52 4.725 10.484 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 52 4.212 8.484 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.576 8.396 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.157 10.086 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.281 10.281 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.743 8.721 -1.299 1.00 0.00 H new ATOM 849 N GLY A 53 4.755 6.313 -2.628 1.00 0.00 N ATOM 850 CA GLY A 53 4.764 5.095 -1.840 1.00 0.00 C ATOM 851 C GLY A 53 5.251 3.880 -2.608 1.00 0.00 C ATOM 852 O GLY A 53 5.042 3.768 -3.816 1.00 0.00 O ATOM 0 H GLY A 53 4.713 6.176 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.400 5.242 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.756 4.902 -1.472 1.00 0.00 H new ATOM 856 N GLN A 54 5.888 2.960 -1.889 1.00 0.00 N ATOM 857 CA GLN A 54 6.400 1.727 -2.472 1.00 0.00 C ATOM 858 C GLN A 54 6.002 0.538 -1.600 1.00 0.00 C ATOM 859 O GLN A 54 5.982 0.641 -0.372 1.00 0.00 O ATOM 860 CB GLN A 54 7.923 1.801 -2.613 1.00 0.00 C ATOM 861 CG GLN A 54 8.597 0.439 -2.693 1.00 0.00 C ATOM 862 CD GLN A 54 10.114 0.516 -2.620 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.789 -0.503 -2.471 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.663 1.724 -2.729 1.00 0.00 N ATOM 0 H GLN A 54 6.063 3.049 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 54 5.968 1.596 -3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.169 2.371 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.331 2.349 -1.764 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.232 -0.188 -1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.309 -0.048 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.070 2.545 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.677 1.829 -2.690 1.00 0.00 H new ATOM 873 N LEU A 55 5.675 -0.583 -2.232 1.00 0.00 N ATOM 874 CA LEU A 55 5.266 -1.775 -1.496 1.00 0.00 C ATOM 875 C LEU A 55 6.341 -2.854 -1.527 1.00 0.00 C ATOM 876 O LEU A 55 6.538 -3.512 -2.546 1.00 0.00 O ATOM 877 CB LEU A 55 3.970 -2.338 -2.085 1.00 0.00 C ATOM 878 CG LEU A 55 2.747 -2.263 -1.168 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.484 -2.611 -1.939 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.914 -3.194 0.023 1.00 0.00 C ATOM 0 H LEU A 55 5.685 -0.692 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 55 5.107 -1.479 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.746 -1.801 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.137 -3.380 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 55 2.657 -1.242 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.623 -2.553 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.354 -1.907 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.568 -3.622 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.035 -3.127 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.029 -4.219 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.799 -2.904 0.590 1.00 0.00 H new ATOM 892 N ILE A 56 7.015 -3.054 -0.396 1.00 0.00 N ATOM 893 CA ILE A 56 8.045 -4.079 -0.296 1.00 0.00 C ATOM 894 C ILE A 56 7.462 -5.342 0.319 1.00 0.00 C ATOM 895 O ILE A 56 6.688 -5.276 1.272 1.00 0.00 O ATOM 896 CB ILE A 56 9.249 -3.613 0.549 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.928 -2.414 -0.113 1.00 0.00 C ATOM 898 CG2 ILE A 56 10.241 -4.755 0.737 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.326 -1.085 0.285 1.00 0.00 C ATOM 0 H ILE A 56 6.865 -2.520 0.460 1.00 0.00 H new ATOM 0 HA ILE A 56 8.400 -4.280 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 56 8.889 -3.307 1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.987 -2.417 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.865 -2.523 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.084 -4.410 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.750 -5.584 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.600 -5.089 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.856 -0.279 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.274 -1.062 0.000 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.413 -0.955 1.364 1.00 0.00 H new ATOM 911 N SER A 57 7.823 -6.491 -0.235 1.00 0.00 N ATOM 912 CA SER A 57 7.315 -7.761 0.261 1.00 0.00 C ATOM 913 C SER A 57 8.405 -8.570 0.944 1.00 0.00 C ATOM 914 O SER A 57 9.503 -8.738 0.415 1.00 0.00 O ATOM 915 CB SER A 57 6.709 -8.567 -0.882 1.00 0.00 C ATOM 916 OG SER A 57 7.305 -9.850 -0.981 1.00 0.00 O ATOM 0 H SER A 57 8.463 -6.569 -1.025 1.00 0.00 H new ATOM 0 HA SER A 57 6.544 -7.544 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.636 -8.674 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.842 -8.028 -1.820 1.00 0.00 H new ATOM 0 HG SER A 57 6.794 -10.401 -1.610 1.00 0.00 H new ATOM 922 N ILE A 58 8.079 -9.074 2.122 1.00 0.00 N ATOM 923 CA ILE A 58 9.007 -9.885 2.902 1.00 0.00 C ATOM 924 C ILE A 58 8.512 -11.325 3.012 1.00 0.00 C ATOM 925 O ILE A 58 7.410 -11.577 3.503 1.00 0.00 O ATOM 926 CB ILE A 58 9.210 -9.307 4.317 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.514 -7.809 4.241 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.332 -10.044 5.036 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.077 -7.037 5.467 1.00 0.00 C ATOM 0 H ILE A 58 7.171 -8.936 2.565 1.00 0.00 H new ATOM 0 HA ILE A 58 9.962 -9.871 2.378 1.00 0.00 H new ATOM 0 HB ILE A 58 8.289 -9.444 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.586 -7.671 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.020 -7.391 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.463 -9.624 6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.079 -11.101 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.259 -9.935 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.325 -5.983 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.000 -7.143 5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.591 -7.428 6.345 1.00 0.00 H new ATOM 941 N GLN A 59 9.331 -12.265 2.547 1.00 0.00 N ATOM 942 CA GLN A 59 8.977 -13.679 2.588 1.00 0.00 C ATOM 943 C GLN A 59 9.906 -14.447 3.523 1.00 0.00 C ATOM 944 O GLN A 59 10.849 -13.881 4.079 1.00 0.00 O ATOM 945 CB GLN A 59 9.034 -14.283 1.182 1.00 0.00 C ATOM 946 CG GLN A 59 8.516 -13.353 0.096 1.00 0.00 C ATOM 947 CD GLN A 59 7.772 -14.091 -1.001 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.725 -13.640 -1.468 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.310 -15.231 -1.420 1.00 0.00 N ATOM 0 H GLN A 59 10.245 -12.072 2.137 1.00 0.00 H new ATOM 0 HA GLN A 59 7.959 -13.761 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.065 -14.555 0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.451 -15.204 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.854 -12.612 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.354 -12.809 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.179 -15.568 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.854 -15.770 -2.157 1.00 0.00 H new ATOM 958 N GLN A 60 9.634 -15.737 3.695 1.00 0.00 N ATOM 959 CA GLN A 60 10.445 -16.583 4.563 1.00 0.00 C ATOM 960 C GLN A 60 11.857 -16.743 4.006 1.00 0.00 C ATOM 961 O GLN A 60 12.822 -16.869 4.760 1.00 0.00 O ATOM 962 CB GLN A 60 9.791 -17.955 4.732 1.00 0.00 C ATOM 963 CG GLN A 60 9.595 -18.704 3.423 1.00 0.00 C ATOM 964 CD GLN A 60 8.995 -20.082 3.623 1.00 0.00 C ATOM 965 OE1 GLN A 60 9.438 -21.059 3.019 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.979 -20.168 4.473 1.00 0.00 N ATOM 0 H GLN A 60 8.857 -16.220 3.244 1.00 0.00 H new ATOM 0 HA GLN A 60 10.512 -16.099 5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.405 -18.561 5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.823 -17.829 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.947 -18.121 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.555 -18.800 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.643 -19.333 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.534 -21.069 4.647 1.00 0.00 H new ATOM 975 N TYR A 61 11.970 -16.733 2.681 1.00 0.00 N ATOM 976 CA TYR A 61 13.265 -16.876 2.025 1.00 0.00 C ATOM 977 C TYR A 61 13.777 -15.524 1.537 1.00 0.00 C ATOM 978 O TYR A 61 14.852 -15.432 0.945 1.00 0.00 O ATOM 979 CB TYR A 61 13.164 -17.856 0.854 1.00 0.00 C ATOM 980 CG TYR A 61 13.706 -19.230 1.174 1.00 0.00 C ATOM 981 CD1 TYR A 61 15.066 -19.431 1.378 1.00 0.00 C ATOM 982 CD2 TYR A 61 12.858 -20.327 1.277 1.00 0.00 C ATOM 983 CE1 TYR A 61 15.566 -20.685 1.673 1.00 0.00 C ATOM 984 CE2 TYR A 61 13.352 -21.585 1.572 1.00 0.00 C ATOM 985 CZ TYR A 61 14.705 -21.759 1.768 1.00 0.00 C ATOM 986 OH TYR A 61 15.200 -23.009 2.063 1.00 0.00 O ATOM 0 H TYR A 61 11.182 -16.628 2.042 1.00 0.00 H new ATOM 0 HA TYR A 61 13.974 -17.270 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.120 -17.946 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.707 -17.449 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 61 15.743 -18.593 1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.797 -20.195 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.626 -20.824 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.680 -22.427 1.648 1.00 0.00 H new ATOM 0 HH TYR A 61 14.463 -23.654 2.094 1.00 0.00 H new ATOM 996 N GLY A 62 13.001 -14.477 1.802 1.00 0.00 N ATOM 997 CA GLY A 62 13.389 -13.139 1.394 1.00 0.00 C ATOM 998 C GLY A 62 13.383 -12.958 -0.111 1.00 0.00 C ATOM 999 O GLY A 62 14.405 -13.151 -0.771 1.00 0.00 O ATOM 0 H GLY A 62 12.109 -14.532 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.710 -12.415 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.386 -12.922 1.777 1.00 0.00 H new ATOM 1003 N HIS A 63 12.230 -12.579 -0.653 1.00 0.00 N ATOM 1004 CA HIS A 63 12.092 -12.362 -2.088 1.00 0.00 C ATOM 1005 C HIS A 63 12.208 -10.880 -2.417 1.00 0.00 C ATOM 1006 O HIS A 63 12.842 -10.496 -3.401 1.00 0.00 O ATOM 1007 CB HIS A 63 10.747 -12.897 -2.578 1.00 0.00 C ATOM 1008 CG HIS A 63 10.835 -14.262 -3.188 1.00 0.00 C ATOM 1009 ND1 HIS A 63 10.482 -14.484 -4.496 1.00 0.00 N ATOM 1010 CD2 HIS A 63 11.243 -15.429 -2.634 1.00 0.00 C ATOM 1011 CE1 HIS A 63 10.682 -15.773 -4.711 1.00 0.00 C ATOM 1012 NE2 HIS A 63 11.142 -16.387 -3.611 1.00 0.00 N ATOM 0 H HIS A 63 11.377 -12.416 -0.119 1.00 0.00 H new ATOM 0 HA HIS A 63 12.894 -12.899 -2.594 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.049 -12.926 -1.741 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.335 -12.205 -3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.582 -15.577 -1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.498 -16.269 -5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.373 -17.376 -3.518 1.00 0.00 H new ATOM 1020 N GLN A 64 11.590 -10.056 -1.576 1.00 0.00 N ATOM 1021 CA GLN A 64 11.612 -8.607 -1.748 1.00 0.00 C ATOM 1022 C GLN A 64 10.859 -8.175 -3.003 1.00 0.00 C ATOM 1023 O GLN A 64 11.463 -7.881 -4.034 1.00 0.00 O ATOM 1024 CB GLN A 64 13.053 -8.093 -1.797 1.00 0.00 C ATOM 1025 CG GLN A 64 13.579 -7.636 -0.446 1.00 0.00 C ATOM 1026 CD GLN A 64 15.068 -7.347 -0.466 1.00 0.00 C ATOM 1027 OE1 GLN A 64 15.757 -7.648 -1.442 1.00 0.00 O ATOM 1028 NE2 GLN A 64 15.573 -6.763 0.613 1.00 0.00 N ATOM 0 H GLN A 64 11.063 -10.371 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 64 11.106 -8.170 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.699 -8.882 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.111 -7.262 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 64 13.043 -6.739 -0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.372 -8.404 0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.966 -6.531 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.569 -6.546 0.657 1.00 0.00 H new ATOM 1037 N GLU A 65 9.533 -8.114 -2.896 1.00 0.00 N ATOM 1038 CA GLU A 65 8.690 -7.689 -4.009 1.00 0.00 C ATOM 1039 C GLU A 65 8.363 -6.212 -3.850 1.00 0.00 C ATOM 1040 O GLU A 65 7.911 -5.781 -2.792 1.00 0.00 O ATOM 1041 CB GLU A 65 7.406 -8.522 -4.056 1.00 0.00 C ATOM 1042 CG GLU A 65 6.928 -8.830 -5.467 1.00 0.00 C ATOM 1043 CD GLU A 65 5.618 -9.593 -5.485 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.407 -10.433 -4.586 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.804 -9.350 -6.401 1.00 0.00 O ATOM 0 H GLU A 65 9.020 -8.354 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 65 9.224 -7.841 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.572 -9.460 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.618 -7.989 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.808 -7.897 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.690 -9.411 -5.986 1.00 0.00 H new ATOM 1052 N VAL A 66 8.633 -5.428 -4.888 1.00 0.00 N ATOM 1053 CA VAL A 66 8.406 -3.990 -4.819 1.00 0.00 C ATOM 1054 C VAL A 66 7.525 -3.467 -5.954 1.00 0.00 C ATOM 1055 O VAL A 66 7.705 -3.821 -7.119 1.00 0.00 O ATOM 1056 CB VAL A 66 9.754 -3.246 -4.825 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.731 -3.943 -5.756 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.586 -1.781 -5.209 1.00 0.00 C ATOM 0 H VAL A 66 9.005 -5.760 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 66 7.872 -3.801 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 66 10.157 -3.269 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.681 -3.409 -5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.889 -4.967 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.325 -3.954 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.559 -1.289 -5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.152 -1.714 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.926 -1.291 -4.493 1.00 0.00 H new ATOM 1068 N THR A 67 6.586 -2.596 -5.586 1.00 0.00 N ATOM 1069 CA THR A 67 5.673 -1.974 -6.540 1.00 0.00 C ATOM 1070 C THR A 67 5.503 -0.490 -6.213 1.00 0.00 C ATOM 1071 O THR A 67 5.097 -0.135 -5.106 1.00 0.00 O ATOM 1072 CB THR A 67 4.290 -2.656 -6.529 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.439 -4.072 -6.673 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.413 -2.119 -7.650 1.00 0.00 C ATOM 0 H THR A 67 6.438 -2.303 -4.620 1.00 0.00 H new ATOM 0 HA THR A 67 6.107 -2.090 -7.533 1.00 0.00 H new ATOM 0 HB THR A 67 3.811 -2.437 -5.575 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.556 -4.497 -6.663 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.443 -2.615 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.276 -1.045 -7.522 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.891 -2.312 -8.610 1.00 0.00 H new ATOM 1082 N ARG A 68 5.826 0.376 -7.171 1.00 0.00 N ATOM 1083 CA ARG A 68 5.717 1.819 -6.965 1.00 0.00 C ATOM 1084 C ARG A 68 4.315 2.328 -7.286 1.00 0.00 C ATOM 1085 O ARG A 68 3.688 1.881 -8.246 1.00 0.00 O ATOM 1086 CB ARG A 68 6.745 2.559 -7.825 1.00 0.00 C ATOM 1087 CG ARG A 68 8.117 1.907 -7.829 1.00 0.00 C ATOM 1088 CD ARG A 68 9.228 2.946 -7.832 1.00 0.00 C ATOM 1089 NE ARG A 68 10.015 2.901 -9.062 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.282 2.506 -9.113 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.908 2.126 -8.006 1.00 0.00 N ATOM 1092 NH2 ARG A 68 11.929 2.492 -10.270 1.00 0.00 N ATOM 0 H ARG A 68 6.164 0.105 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 68 5.916 2.015 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.376 2.616 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.840 3.583 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.219 1.266 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.214 1.266 -8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.796 3.940 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.882 2.780 -6.976 1.00 0.00 H new ATOM 0 HE ARG A 68 9.566 3.189 -9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.416 2.137 -7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.881 1.823 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.454 2.785 -11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.902 2.188 -10.307 1.00 0.00 H new ATOM 1106 N PHE A 69 3.832 3.271 -6.477 1.00 0.00 N ATOM 1107 CA PHE A 69 2.507 3.849 -6.675 1.00 0.00 C ATOM 1108 C PHE A 69 2.409 5.241 -6.056 1.00 0.00 C ATOM 1109 O PHE A 69 3.119 5.564 -5.104 1.00 0.00 O ATOM 1110 CB PHE A 69 1.425 2.942 -6.078 1.00 0.00 C ATOM 1111 CG PHE A 69 1.764 2.386 -4.720 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.916 3.226 -3.625 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.923 1.023 -4.540 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.220 2.712 -2.377 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.226 0.506 -3.295 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.375 1.351 -2.213 1.00 0.00 C ATOM 0 H PHE A 69 4.341 3.650 -5.678 1.00 0.00 H new ATOM 0 HA PHE A 69 2.348 3.937 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.495 3.505 -6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.244 2.113 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.796 4.292 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.809 0.356 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.336 3.375 -1.532 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.346 -0.560 -3.168 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.612 0.947 -1.240 1.00 0.00 H new ATOM 1126 N ASP A 70 1.505 6.053 -6.597 1.00 0.00 N ATOM 1127 CA ASP A 70 1.279 7.405 -6.098 1.00 0.00 C ATOM 1128 C ASP A 70 -0.179 7.560 -5.690 1.00 0.00 C ATOM 1129 O ASP A 70 -1.081 7.244 -6.467 1.00 0.00 O ATOM 1130 CB ASP A 70 1.641 8.440 -7.165 1.00 0.00 C ATOM 1131 CG ASP A 70 2.890 8.066 -7.936 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.002 8.323 -7.427 1.00 0.00 O ATOM 1133 OD2 ASP A 70 2.759 7.514 -9.049 1.00 0.00 O ATOM 0 H ASP A 70 0.913 5.795 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 70 1.917 7.572 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.808 8.548 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.788 9.410 -6.690 1.00 0.00 H new ATOM 1138 N PHE A 71 -0.416 8.021 -4.466 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.782 8.176 -3.982 1.00 0.00 C ATOM 1140 C PHE A 71 -1.935 9.364 -3.034 1.00 0.00 C ATOM 1141 O PHE A 71 -0.993 9.762 -2.344 1.00 0.00 O ATOM 1142 CB PHE A 71 -2.227 6.891 -3.275 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.717 6.776 -1.865 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.476 6.218 -1.606 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.478 7.235 -0.799 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -0.002 6.118 -0.311 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -2.010 7.138 0.497 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.769 6.580 0.742 1.00 0.00 C ATOM 0 H PHE A 71 0.308 8.290 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.414 8.369 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.316 6.850 -3.264 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.882 6.031 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.128 5.857 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.447 7.673 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.967 5.679 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.613 7.498 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.400 6.505 1.754 1.00 0.00 H new ATOM 1158 N THR A 72 -3.151 9.905 -3.000 1.00 0.00 N ATOM 1159 CA THR A 72 -3.496 11.026 -2.132 1.00 0.00 C ATOM 1160 C THR A 72 -4.961 10.925 -1.716 1.00 0.00 C ATOM 1161 O THR A 72 -5.719 10.142 -2.288 1.00 0.00 O ATOM 1162 CB THR A 72 -3.264 12.394 -2.803 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.515 12.931 -3.242 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.310 12.286 -3.984 1.00 0.00 C ATOM 0 H THR A 72 -3.926 9.576 -3.576 1.00 0.00 H new ATOM 0 HA THR A 72 -2.840 10.965 -1.264 1.00 0.00 H new ATOM 0 HB THR A 72 -2.811 13.057 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.604 13.854 -2.925 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.171 13.270 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.348 11.904 -3.641 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.726 11.606 -4.727 1.00 0.00 H new ATOM 1172 N THR A 73 -5.362 11.715 -0.726 1.00 0.00 N ATOM 1173 CA THR A 73 -6.744 11.696 -0.257 1.00 0.00 C ATOM 1174 C THR A 73 -7.690 12.256 -1.313 1.00 0.00 C ATOM 1175 O THR A 73 -8.824 11.795 -1.448 1.00 0.00 O ATOM 1176 CB THR A 73 -6.917 12.498 1.047 1.00 0.00 C ATOM 1177 OG1 THR A 73 -8.310 12.693 1.319 1.00 0.00 O ATOM 1178 CG2 THR A 73 -6.221 13.845 0.952 1.00 0.00 C ATOM 0 H THR A 73 -4.755 12.372 -0.235 1.00 0.00 H new ATOM 0 HA THR A 73 -6.992 10.652 -0.063 1.00 0.00 H new ATOM 0 HB THR A 73 -6.463 11.931 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.413 13.202 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.358 14.392 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.157 13.693 0.773 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.649 14.418 0.129 1.00 0.00 H new ATOM 1186 N THR A 74 -7.219 13.249 -2.060 1.00 0.00 N ATOM 1187 CA THR A 74 -8.028 13.867 -3.105 1.00 0.00 C ATOM 1188 C THR A 74 -7.152 14.579 -4.136 1.00 0.00 C ATOM 1189 O THR A 74 -7.166 15.806 -4.245 1.00 0.00 O ATOM 1190 CB THR A 74 -9.044 14.864 -2.511 1.00 0.00 C ATOM 1191 OG1 THR A 74 -9.685 15.599 -3.562 1.00 0.00 O ATOM 1192 CG2 THR A 74 -8.365 15.829 -1.549 1.00 0.00 C ATOM 0 H THR A 74 -6.283 13.643 -1.962 1.00 0.00 H new ATOM 0 HA THR A 74 -8.574 13.065 -3.602 1.00 0.00 H new ATOM 0 HB THR A 74 -9.792 14.295 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.037 16.204 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.104 16.521 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.909 15.269 -0.733 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.595 16.390 -2.079 1.00 0.00 H new ATOM 1200 N SER A 75 -6.392 13.795 -4.895 1.00 0.00 N ATOM 1201 CA SER A 75 -5.507 14.338 -5.921 1.00 0.00 C ATOM 1202 C SER A 75 -5.112 13.253 -6.921 1.00 0.00 C ATOM 1203 O SER A 75 -5.495 13.307 -8.090 1.00 0.00 O ATOM 1204 CB SER A 75 -4.257 14.952 -5.281 1.00 0.00 C ATOM 1205 OG SER A 75 -3.098 14.676 -6.050 1.00 0.00 O ATOM 0 H SER A 75 -6.371 12.778 -4.818 1.00 0.00 H new ATOM 0 HA SER A 75 -6.044 15.121 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.386 16.030 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.130 14.557 -4.273 1.00 0.00 H new ATOM 0 HG SER A 75 -2.453 15.406 -5.943 1.00 0.00 H new ATOM 1211 N THR A 76 -4.351 12.267 -6.444 1.00 0.00 N ATOM 1212 CA THR A 76 -3.896 11.150 -7.276 1.00 0.00 C ATOM 1213 C THR A 76 -3.112 11.634 -8.496 1.00 0.00 C ATOM 1214 O THR A 76 -3.651 12.322 -9.362 1.00 0.00 O ATOM 1215 CB THR A 76 -5.070 10.268 -7.749 1.00 0.00 C ATOM 1216 OG1 THR A 76 -6.318 10.830 -7.324 1.00 0.00 O ATOM 1217 CG2 THR A 76 -4.936 8.855 -7.203 1.00 0.00 C ATOM 0 H THR A 76 -4.034 12.219 -5.476 1.00 0.00 H new ATOM 0 HA THR A 76 -3.238 10.553 -6.644 1.00 0.00 H new ATOM 0 HB THR A 76 -5.045 10.229 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.055 10.262 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.774 8.250 -7.549 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.002 8.416 -7.555 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.935 8.885 -6.113 1.00 0.00 H new ATOM 1225 N SER A 77 -1.837 11.263 -8.559 1.00 0.00 N ATOM 1226 CA SER A 77 -0.981 11.657 -9.674 1.00 0.00 C ATOM 1227 C SER A 77 -0.918 10.561 -10.734 1.00 0.00 C ATOM 1228 O SER A 77 -0.456 9.452 -10.469 1.00 0.00 O ATOM 1229 CB SER A 77 0.428 11.980 -9.174 1.00 0.00 C ATOM 1230 OG SER A 77 1.410 11.539 -10.095 1.00 0.00 O ATOM 0 H SER A 77 -1.374 10.691 -7.853 1.00 0.00 H new ATOM 0 HA SER A 77 -1.413 12.549 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.525 13.055 -9.021 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.592 11.504 -8.207 1.00 0.00 H new ATOM 0 HG SER A 77 2.302 11.759 -9.753 1.00 0.00 H new ATOM 1236 N THR A 78 -1.382 10.883 -11.938 1.00 0.00 N ATOM 1237 CA THR A 78 -1.376 9.932 -13.043 1.00 0.00 C ATOM 1238 C THR A 78 -1.469 10.652 -14.390 1.00 0.00 C ATOM 1239 O THR A 78 -2.499 10.603 -15.064 1.00 0.00 O ATOM 1240 CB THR A 78 -2.534 8.919 -12.919 1.00 0.00 C ATOM 1241 OG1 THR A 78 -2.693 8.198 -14.147 1.00 0.00 O ATOM 1242 CG2 THR A 78 -3.836 9.620 -12.562 1.00 0.00 C ATOM 0 H THR A 78 -1.768 11.798 -12.173 1.00 0.00 H new ATOM 0 HA THR A 78 -0.431 9.391 -12.994 1.00 0.00 H new ATOM 0 HB THR A 78 -2.287 8.220 -12.119 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.025 8.804 -14.842 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.635 8.883 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.721 10.138 -11.610 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.086 10.342 -13.339 1.00 0.00 H new ATOM 1250 N PRO A 79 -0.387 11.341 -14.800 1.00 0.00 N ATOM 1251 CA PRO A 79 -0.353 12.076 -16.066 1.00 0.00 C ATOM 1252 C PRO A 79 -0.156 11.159 -17.271 1.00 0.00 C ATOM 1253 O PRO A 79 -1.085 10.930 -18.046 1.00 0.00 O ATOM 1254 CB PRO A 79 0.846 13.008 -15.897 1.00 0.00 C ATOM 1255 CG PRO A 79 1.760 12.289 -14.963 1.00 0.00 C ATOM 1256 CD PRO A 79 0.884 11.463 -14.056 1.00 0.00 C ATOM 0 HA PRO A 79 -1.291 12.595 -16.262 1.00 0.00 H new ATOM 0 HB2 PRO A 79 1.332 13.204 -16.853 1.00 0.00 H new ATOM 0 HB3 PRO A 79 0.543 13.972 -15.489 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.456 11.655 -15.513 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.359 12.994 -14.387 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.325 10.486 -13.856 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.737 11.949 -13.092 1.00 0.00 H new ATOM 1264 N GLY A 80 1.059 10.639 -17.427 1.00 0.00 N ATOM 1265 CA GLY A 80 1.353 9.756 -18.541 1.00 0.00 C ATOM 1266 C GLY A 80 2.452 8.761 -18.220 1.00 0.00 C ATOM 1267 O GLY A 80 3.122 8.875 -17.192 1.00 0.00 O ATOM 0 H GLY A 80 1.845 10.814 -16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.449 9.216 -18.820 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.648 10.352 -19.405 1.00 0.00 H new ATOM 1271 N SER A 81 2.635 7.782 -19.104 1.00 0.00 N ATOM 1272 CA SER A 81 3.658 6.754 -18.920 1.00 0.00 C ATOM 1273 C SER A 81 3.476 6.027 -17.590 1.00 0.00 C ATOM 1274 O SER A 81 2.460 6.193 -16.913 1.00 0.00 O ATOM 1275 CB SER A 81 5.056 7.372 -18.992 1.00 0.00 C ATOM 1276 OG SER A 81 5.967 6.496 -19.632 1.00 0.00 O ATOM 0 H SER A 81 2.086 7.679 -19.958 1.00 0.00 H new ATOM 0 HA SER A 81 3.549 6.027 -19.725 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.012 8.316 -19.534 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.410 7.598 -17.986 1.00 0.00 H new ATOM 0 HG SER A 81 6.853 6.914 -19.667 1.00 0.00 H new ATOM 1282 N ARG A 82 4.470 5.220 -17.224 1.00 0.00 N ATOM 1283 CA ARG A 82 4.427 4.462 -15.977 1.00 0.00 C ATOM 1284 C ARG A 82 3.177 3.589 -15.911 1.00 0.00 C ATOM 1285 O ARG A 82 2.627 3.353 -14.835 1.00 0.00 O ATOM 1286 CB ARG A 82 4.473 5.407 -14.775 1.00 0.00 C ATOM 1287 CG ARG A 82 5.871 5.906 -14.448 1.00 0.00 C ATOM 1288 CD ARG A 82 5.951 6.454 -13.032 1.00 0.00 C ATOM 1289 NE ARG A 82 6.525 7.797 -12.997 1.00 0.00 N ATOM 1290 CZ ARG A 82 7.359 8.219 -12.052 1.00 0.00 C ATOM 1291 NH1 ARG A 82 7.710 7.409 -11.061 1.00 0.00 N ATOM 1292 NH2 ARG A 82 7.842 9.453 -12.096 1.00 0.00 N ATOM 0 H ARG A 82 5.316 5.075 -17.775 1.00 0.00 H new ATOM 0 HA ARG A 82 5.301 3.812 -15.948 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.827 6.263 -14.971 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.066 4.894 -13.904 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.586 5.091 -14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.156 6.684 -15.157 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.953 6.475 -12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.555 5.786 -12.418 1.00 0.00 H new ATOM 0 HE ARG A 82 6.271 8.448 -13.740 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.340 6.459 -11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.350 7.736 -10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.574 10.079 -12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.482 9.776 -11.371 1.00 0.00 H new ATOM 1306 N SER A 83 2.736 3.111 -17.072 1.00 0.00 N ATOM 1307 CA SER A 83 1.551 2.263 -17.150 1.00 0.00 C ATOM 1308 C SER A 83 1.870 0.951 -17.857 1.00 0.00 C ATOM 1309 O SER A 83 1.294 -0.091 -17.543 1.00 0.00 O ATOM 1310 CB SER A 83 0.427 2.990 -17.889 1.00 0.00 C ATOM 1311 OG SER A 83 -0.211 3.934 -17.047 1.00 0.00 O ATOM 0 H SER A 83 3.181 3.297 -17.971 1.00 0.00 H new ATOM 0 HA SER A 83 1.226 2.040 -16.134 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.832 3.495 -18.766 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.304 2.266 -18.248 1.00 0.00 H new ATOM 0 HG SER A 83 -0.924 4.386 -17.544 1.00 0.00 H new ATOM 1317 N HIS A 84 2.788 1.010 -18.816 1.00 0.00 N ATOM 1318 CA HIS A 84 3.181 -0.173 -19.573 1.00 0.00 C ATOM 1319 C HIS A 84 4.695 -0.355 -19.555 1.00 0.00 C ATOM 1320 O HIS A 84 5.209 -1.392 -19.975 1.00 0.00 O ATOM 1321 CB HIS A 84 2.686 -0.067 -21.016 1.00 0.00 C ATOM 1322 CG HIS A 84 1.584 -1.026 -21.343 1.00 0.00 C ATOM 1323 ND1 HIS A 84 0.278 -0.757 -21.011 1.00 0.00 N ATOM 1324 CD2 HIS A 84 1.645 -2.228 -21.966 1.00 0.00 C ATOM 1325 CE1 HIS A 84 -0.423 -1.793 -21.436 1.00 0.00 C ATOM 1326 NE2 HIS A 84 0.362 -2.711 -22.021 1.00 0.00 N ATOM 0 H HIS A 84 3.274 1.865 -19.087 1.00 0.00 H new ATOM 0 HA HIS A 84 2.724 -1.043 -19.101 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.338 0.950 -21.198 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.522 -0.243 -21.692 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.532 -2.712 -22.346 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.493 -1.889 -21.326 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.063 -3.597 -22.428 1.00 0.00 H new ATOM 1334 N HIS A 85 5.404 0.659 -19.067 1.00 0.00 N ATOM 1335 CA HIS A 85 6.860 0.609 -18.996 1.00 0.00 C ATOM 1336 C HIS A 85 7.323 -0.503 -18.059 1.00 0.00 C ATOM 1337 O HIS A 85 7.439 -0.299 -16.849 1.00 0.00 O ATOM 1338 CB HIS A 85 7.414 1.956 -18.525 1.00 0.00 C ATOM 1339 CG HIS A 85 8.661 2.372 -19.241 1.00 0.00 C ATOM 1340 ND1 HIS A 85 9.806 1.617 -19.181 1.00 0.00 N ATOM 1341 CD2 HIS A 85 8.889 3.463 -20.013 1.00 0.00 C ATOM 1342 CE1 HIS A 85 10.701 2.258 -19.912 1.00 0.00 C ATOM 1343 NE2 HIS A 85 10.191 3.382 -20.435 1.00 0.00 N ATOM 0 H HIS A 85 4.994 1.524 -18.715 1.00 0.00 H new ATOM 0 HA HIS A 85 7.241 0.397 -19.995 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.652 2.722 -18.665 1.00 0.00 H new ATOM 0 HB3 HIS A 85 7.619 1.902 -17.456 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.182 4.244 -20.250 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.715 1.919 -20.068 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.678 4.049 -21.033 1.00 0.00 H new ATOM 1351 N HIS A 86 7.585 -1.678 -18.626 1.00 0.00 N ATOM 1352 CA HIS A 86 8.035 -2.825 -17.842 1.00 0.00 C ATOM 1353 C HIS A 86 8.460 -3.974 -18.754 1.00 0.00 C ATOM 1354 O HIS A 86 8.803 -3.759 -19.917 1.00 0.00 O ATOM 1355 CB HIS A 86 6.922 -3.289 -16.900 1.00 0.00 C ATOM 1356 CG HIS A 86 7.402 -3.599 -15.516 1.00 0.00 C ATOM 1357 ND1 HIS A 86 8.489 -4.409 -15.299 1.00 0.00 N ATOM 1358 CD2 HIS A 86 6.910 -3.189 -14.322 1.00 0.00 C ATOM 1359 CE1 HIS A 86 8.637 -4.473 -13.989 1.00 0.00 C ATOM 1360 NE2 HIS A 86 7.703 -3.749 -13.353 1.00 0.00 N ATOM 0 H HIS A 86 7.493 -1.861 -19.625 1.00 0.00 H new ATOM 0 HA HIS A 86 8.898 -2.517 -17.251 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.156 -2.515 -16.846 1.00 0.00 H new ATOM 0 HB3 HIS A 86 6.448 -4.177 -17.319 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.057 -2.545 -14.164 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.412 -5.037 -13.492 1.00 0.00 H new ATOM 0 HE2 HIS A 86 7.602 -3.637 -12.344 1.00 0.00 H new ATOM 1368 N HIS A 87 8.432 -5.194 -18.216 1.00 0.00 N ATOM 1369 CA HIS A 87 8.810 -6.384 -18.974 1.00 0.00 C ATOM 1370 C HIS A 87 10.268 -6.314 -19.425 1.00 0.00 C ATOM 1371 O HIS A 87 11.170 -6.742 -18.706 1.00 0.00 O ATOM 1372 CB HIS A 87 7.890 -6.562 -20.186 1.00 0.00 C ATOM 1373 CG HIS A 87 6.880 -7.655 -20.019 1.00 0.00 C ATOM 1374 ND1 HIS A 87 6.589 -8.178 -18.783 1.00 0.00 N ATOM 1375 CD2 HIS A 87 6.126 -8.281 -20.954 1.00 0.00 C ATOM 1376 CE1 HIS A 87 5.671 -9.105 -18.989 1.00 0.00 C ATOM 1377 NE2 HIS A 87 5.358 -9.204 -20.290 1.00 0.00 N ATOM 0 H HIS A 87 8.150 -5.383 -17.254 1.00 0.00 H new ATOM 0 HA HIS A 87 8.700 -7.246 -18.317 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.369 -5.624 -20.377 1.00 0.00 H new ATOM 0 HB3 HIS A 87 8.499 -6.773 -21.065 1.00 0.00 H new ATOM 0 HD2 HIS A 87 6.129 -8.090 -22.017 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.228 -9.707 -18.209 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.680 -9.843 -20.705 1.00 0.00 H new ATOM 1385 N HIS A 88 10.491 -5.777 -20.622 1.00 0.00 N ATOM 1386 CA HIS A 88 11.840 -5.658 -21.168 1.00 0.00 C ATOM 1387 C HIS A 88 12.406 -4.262 -20.931 1.00 0.00 C ATOM 1388 O HIS A 88 11.807 -3.263 -21.329 1.00 0.00 O ATOM 1389 CB HIS A 88 11.832 -5.968 -22.667 1.00 0.00 C ATOM 1390 CG HIS A 88 12.612 -7.193 -23.033 1.00 0.00 C ATOM 1391 ND1 HIS A 88 12.617 -8.306 -22.230 1.00 0.00 N ATOM 1392 CD2 HIS A 88 13.387 -7.427 -24.120 1.00 0.00 C ATOM 1393 CE1 HIS A 88 13.388 -9.189 -22.840 1.00 0.00 C ATOM 1394 NE2 HIS A 88 13.878 -8.701 -23.989 1.00 0.00 N ATOM 0 H HIS A 88 9.756 -5.418 -21.231 1.00 0.00 H new ATOM 0 HA HIS A 88 12.477 -6.379 -20.655 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.801 -6.092 -22.998 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.239 -5.114 -23.208 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.581 -6.742 -24.933 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.597 -10.179 -22.461 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.497 -9.184 -24.640 1.00 0.00 H new ATOM 1402 N HIS A 89 13.567 -4.203 -20.281 1.00 0.00 N ATOM 1403 CA HIS A 89 14.224 -2.932 -19.990 1.00 0.00 C ATOM 1404 C HIS A 89 13.282 -1.981 -19.258 1.00 0.00 C ATOM 1405 O HIS A 89 13.146 -2.118 -18.023 1.00 0.00 O ATOM 1406 CB HIS A 89 14.723 -2.283 -21.283 1.00 0.00 C ATOM 1407 CG HIS A 89 16.214 -2.192 -21.374 1.00 0.00 C ATOM 1408 ND1 HIS A 89 17.013 -3.287 -21.153 1.00 0.00 N ATOM 1409 CD2 HIS A 89 16.996 -1.123 -21.661 1.00 0.00 C ATOM 1410 CE1 HIS A 89 18.255 -2.865 -21.309 1.00 0.00 C ATOM 1411 NE2 HIS A 89 18.295 -1.560 -21.618 1.00 0.00 N ATOM 1412 OXT HIS A 89 12.687 -1.109 -19.924 1.00 0.00 O ATOM 0 H HIS A 89 14.072 -5.023 -19.946 1.00 0.00 H new ATOM 0 HA HIS A 89 15.076 -3.135 -19.341 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.350 -2.854 -22.133 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.301 -1.281 -21.363 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.661 -0.120 -21.881 1.00 0.00 H new ATOM 0 HE1 HIS A 89 19.128 -3.491 -21.201 1.00 0.00 H new ATOM 0 HE2 HIS A 89 19.131 -1.001 -21.788 1.00 0.00 H new TER 1420 HIS A 89