USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 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 46 LYS NZ :NH3+ 158:sc= -0.0836 (180deg=-0.815) USER MOD Set 1.2: A 75 SER OG : rot -177:sc= -1.31! USER MOD Set 2.1: A 60 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 59 GLN : amide:sc= 0 K(o=-4.1,f=-4.6) USER MOD Set 3.2: A 64 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 13 SER OG : rot 176:sc= -0.263 USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= -0.0232 (180deg=-0.0303) USER MOD Single : A 15 TYR OH : rot 15:sc= -0.706 USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= -0.921! (180deg=-0.974!) USER MOD Single : A 23 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.27) 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= -0.119 X(o=-0.12,f=-0.24) USER MOD Single : A 38 ASN : amide:sc= -1.05 X(o=-1,f=-1.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0638 X(o=-0.064,f=-0.5) USER MOD Single : A 57 SER OG : rot 170:sc= 0.241 USER MOD Single : A 63 HIS : no HE2:sc= -0.168 K(o=-0.17,f=-2.3) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 74 THR OG1 : rot 150:sc= -2.26! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.172 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0219 USER MOD Single : A 81 SER OG : rot 180:sc= -0.346 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=-0.0033) USER MOD Single : A 85 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.18) USER MOD Single : A 86 HIS : no HD1:sc= -0.666 X(o=-0.67,f=-0.49) USER MOD Single : A 87 HIS : no HD1:sc= 0.0172 K(o=0.017,f=-0.75) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.464 -31.147 16.666 1.00 0.00 N ATOM 2 CA MET A 1 -19.506 -29.662 16.629 1.00 0.00 C ATOM 3 C MET A 1 -18.478 -29.105 15.646 1.00 0.00 C ATOM 4 O MET A 1 -18.806 -28.800 14.500 1.00 0.00 O ATOM 5 CB MET A 1 -19.234 -29.131 18.039 1.00 0.00 C ATOM 6 CG MET A 1 -20.351 -28.256 18.585 1.00 0.00 C ATOM 7 SD MET A 1 -19.871 -26.523 18.718 1.00 0.00 S ATOM 8 CE MET A 1 -20.421 -25.898 17.134 1.00 0.00 C ATOM 0 H1 MET A 1 -20.173 -31.498 17.342 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.672 -31.524 15.719 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.518 -31.460 16.963 1.00 0.00 H new ATOM 0 HA MET A 1 -20.491 -29.340 16.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.082 -29.974 18.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.306 -28.559 18.030 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.223 -28.339 17.936 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.648 -28.623 19.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.194 -24.834 17.064 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.908 -26.432 16.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.497 -26.046 17.038 1.00 0.00 H new ATOM 20 N ARG A 2 -17.236 -28.977 16.104 1.00 0.00 N ATOM 21 CA ARG A 2 -16.162 -28.457 15.263 1.00 0.00 C ATOM 22 C ARG A 2 -15.363 -29.595 14.636 1.00 0.00 C ATOM 23 O ARG A 2 -15.183 -30.650 15.245 1.00 0.00 O ATOM 24 CB ARG A 2 -15.232 -27.560 16.083 1.00 0.00 C ATOM 25 CG ARG A 2 -15.204 -26.116 15.605 1.00 0.00 C ATOM 26 CD ARG A 2 -13.780 -25.626 15.392 1.00 0.00 C ATOM 27 NE ARG A 2 -13.268 -25.987 14.072 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.635 -25.377 12.948 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.519 -24.388 12.983 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.120 -25.760 11.787 1.00 0.00 N ATOM 0 H ARG A 2 -16.949 -29.226 17.051 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.613 -27.869 14.464 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -15.546 -27.583 17.127 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -14.221 -27.967 16.045 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -15.763 -26.029 14.673 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -15.703 -25.480 16.336 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.748 -24.543 15.509 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.132 -26.049 16.160 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.592 -26.748 14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.919 -24.093 13.874 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.798 -23.923 12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.443 -26.522 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.401 -25.292 10.925 1.00 0.00 H new ATOM 44 N GLY A 3 -14.889 -29.374 13.413 1.00 0.00 N ATOM 45 CA GLY A 3 -14.117 -30.390 12.722 1.00 0.00 C ATOM 46 C GLY A 3 -13.066 -29.796 11.803 1.00 0.00 C ATOM 47 O GLY A 3 -13.350 -28.872 11.040 1.00 0.00 O ATOM 0 H GLY A 3 -15.026 -28.510 12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -13.632 -31.034 13.455 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.790 -31.020 12.140 1.00 0.00 H new ATOM 51 N SER A 4 -11.851 -30.329 11.878 1.00 0.00 N ATOM 52 CA SER A 4 -10.750 -29.849 11.050 1.00 0.00 C ATOM 53 C SER A 4 -10.557 -30.745 9.830 1.00 0.00 C ATOM 54 O SER A 4 -10.591 -31.971 9.938 1.00 0.00 O ATOM 55 CB SER A 4 -9.459 -29.793 11.867 1.00 0.00 C ATOM 56 OG SER A 4 -8.489 -28.976 11.235 1.00 0.00 O ATOM 0 H SER A 4 -11.603 -31.095 12.505 1.00 0.00 H new ATOM 0 HA SER A 4 -10.997 -28.845 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.672 -29.405 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.062 -30.800 11.995 1.00 0.00 H new ATOM 0 HG SER A 4 -7.674 -28.956 11.779 1.00 0.00 H new ATOM 62 N ASN A 5 -10.358 -30.126 8.671 1.00 0.00 N ATOM 63 CA ASN A 5 -10.163 -30.868 7.431 1.00 0.00 C ATOM 64 C ASN A 5 -8.726 -30.743 6.934 1.00 0.00 C ATOM 65 O ASN A 5 -8.000 -31.734 6.852 1.00 0.00 O ATOM 66 CB ASN A 5 -11.131 -30.370 6.356 1.00 0.00 C ATOM 67 CG ASN A 5 -12.127 -31.434 5.938 1.00 0.00 C ATOM 68 OD1 ASN A 5 -13.326 -31.310 6.190 1.00 0.00 O ATOM 69 ND2 ASN A 5 -11.636 -32.488 5.296 1.00 0.00 N ATOM 0 H ASN A 5 -10.328 -29.112 8.565 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.364 -31.920 7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.669 -29.499 6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.565 -30.044 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.260 -33.235 4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.635 -32.550 5.108 1.00 0.00 H new ATOM 76 N ALA A 6 -8.323 -29.520 6.601 1.00 0.00 N ATOM 77 CA ALA A 6 -6.972 -29.271 6.108 1.00 0.00 C ATOM 78 C ALA A 6 -6.475 -27.889 6.529 1.00 0.00 C ATOM 79 O ALA A 6 -6.838 -26.881 5.922 1.00 0.00 O ATOM 80 CB ALA A 6 -6.933 -29.408 4.594 1.00 0.00 C ATOM 0 H ALA A 6 -8.910 -28.688 6.663 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.308 -30.015 6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.920 -29.220 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.236 -30.416 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.615 -28.686 4.146 1.00 0.00 H new ATOM 86 N PRO A 7 -5.631 -27.821 7.576 1.00 0.00 N ATOM 87 CA PRO A 7 -5.087 -26.551 8.070 1.00 0.00 C ATOM 88 C PRO A 7 -4.103 -25.922 7.090 1.00 0.00 C ATOM 89 O PRO A 7 -3.074 -26.513 6.760 1.00 0.00 O ATOM 90 CB PRO A 7 -4.372 -26.945 9.364 1.00 0.00 C ATOM 91 CG PRO A 7 -4.036 -28.385 9.192 1.00 0.00 C ATOM 92 CD PRO A 7 -5.143 -28.973 8.359 1.00 0.00 C ATOM 0 HA PRO A 7 -5.868 -25.803 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.475 -26.346 9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.012 -26.790 10.232 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.071 -28.504 8.699 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.965 -28.887 10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.779 -29.772 7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.931 -29.399 8.980 1.00 0.00 H new ATOM 100 N GLN A 8 -4.426 -24.718 6.627 1.00 0.00 N ATOM 101 CA GLN A 8 -3.574 -24.004 5.683 1.00 0.00 C ATOM 102 C GLN A 8 -3.088 -22.685 6.280 1.00 0.00 C ATOM 103 O GLN A 8 -3.811 -22.034 7.036 1.00 0.00 O ATOM 104 CB GLN A 8 -4.333 -23.738 4.382 1.00 0.00 C ATOM 105 CG GLN A 8 -5.686 -23.079 4.592 1.00 0.00 C ATOM 106 CD GLN A 8 -6.163 -22.320 3.369 1.00 0.00 C ATOM 107 OE1 GLN A 8 -5.910 -22.726 2.235 1.00 0.00 O ATOM 108 NE2 GLN A 8 -6.856 -21.209 3.593 1.00 0.00 N ATOM 0 H GLN A 8 -5.274 -24.216 6.891 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.706 -24.628 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.724 -23.102 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.475 -24.681 3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.421 -23.841 4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.625 -22.395 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.043 -20.909 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.201 -20.656 2.808 1.00 0.00 H new ATOM 117 N PRO A 9 -1.852 -22.268 5.947 1.00 0.00 N ATOM 118 CA PRO A 9 -1.278 -21.019 6.456 1.00 0.00 C ATOM 119 C PRO A 9 -1.844 -19.792 5.749 1.00 0.00 C ATOM 120 O PRO A 9 -2.909 -19.855 5.133 1.00 0.00 O ATOM 121 CB PRO A 9 0.210 -21.172 6.148 1.00 0.00 C ATOM 122 CG PRO A 9 0.251 -22.032 4.934 1.00 0.00 C ATOM 123 CD PRO A 9 -0.916 -22.978 5.051 1.00 0.00 C ATOM 0 HA PRO A 9 -1.499 -20.865 7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.679 -20.205 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.742 -21.633 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.176 -21.431 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.192 -22.579 4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.367 -23.180 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.613 -23.938 5.468 1.00 0.00 H new ATOM 131 N SER A 10 -1.124 -18.679 5.839 1.00 0.00 N ATOM 132 CA SER A 10 -1.553 -17.436 5.206 1.00 0.00 C ATOM 133 C SER A 10 -0.875 -17.258 3.851 1.00 0.00 C ATOM 134 O SER A 10 -0.179 -18.153 3.372 1.00 0.00 O ATOM 135 CB SER A 10 -1.239 -16.243 6.111 1.00 0.00 C ATOM 136 OG SER A 10 -0.566 -16.657 7.288 1.00 0.00 O ATOM 0 H SER A 10 -0.240 -18.612 6.344 1.00 0.00 H new ATOM 0 HA SER A 10 -2.630 -17.487 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.623 -15.525 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.164 -15.732 6.378 1.00 0.00 H new ATOM 0 HG SER A 10 -0.376 -15.876 7.848 1.00 0.00 H new ATOM 142 N HIS A 11 -1.086 -16.097 3.236 1.00 0.00 N ATOM 143 CA HIS A 11 -0.496 -15.804 1.935 1.00 0.00 C ATOM 144 C HIS A 11 0.998 -15.514 2.067 1.00 0.00 C ATOM 145 O HIS A 11 1.825 -16.422 1.998 1.00 0.00 O ATOM 146 CB HIS A 11 -1.208 -14.612 1.290 1.00 0.00 C ATOM 147 CG HIS A 11 -2.424 -14.993 0.503 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.328 -15.720 -0.658 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.729 -14.726 0.753 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.567 -15.879 -1.088 1.00 0.00 C ATOM 151 NE2 HIS A 11 -4.451 -15.294 -0.266 1.00 0.00 N ATOM 0 H HIS A 11 -1.660 -15.346 3.618 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.620 -16.680 1.299 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.496 -13.907 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.509 -14.094 0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.124 -14.173 1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.834 -16.413 -1.988 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.465 -15.275 -0.377 1.00 0.00 H new ATOM 159 N ILE A 12 1.332 -14.242 2.263 1.00 0.00 N ATOM 160 CA ILE A 12 2.722 -13.827 2.412 1.00 0.00 C ATOM 161 C ILE A 12 3.055 -13.600 3.882 1.00 0.00 C ATOM 162 O ILE A 12 2.195 -13.190 4.660 1.00 0.00 O ATOM 163 CB ILE A 12 3.004 -12.531 1.620 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.434 -12.040 1.865 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.002 -11.453 1.998 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.266 -11.952 0.605 1.00 0.00 C ATOM 0 H ILE A 12 0.657 -13.480 2.322 1.00 0.00 H new ATOM 0 HA ILE A 12 3.349 -14.625 2.015 1.00 0.00 H new ATOM 0 HB ILE A 12 2.898 -12.751 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.397 -11.058 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.925 -12.712 2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.213 -10.546 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.993 -11.797 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.080 -11.242 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.266 -11.598 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.334 -12.938 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.798 -11.257 -0.092 1.00 0.00 H new ATOM 178 N SER A 13 4.306 -13.868 4.254 1.00 0.00 N ATOM 179 CA SER A 13 4.748 -13.684 5.632 1.00 0.00 C ATOM 180 C SER A 13 4.253 -12.348 6.171 1.00 0.00 C ATOM 181 O SER A 13 3.662 -12.280 7.249 1.00 0.00 O ATOM 182 CB SER A 13 6.275 -13.749 5.714 1.00 0.00 C ATOM 183 OG SER A 13 6.783 -14.826 4.947 1.00 0.00 O ATOM 0 H SER A 13 5.028 -14.212 3.621 1.00 0.00 H new ATOM 0 HA SER A 13 4.329 -14.486 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.701 -12.812 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.582 -13.863 6.754 1.00 0.00 H new ATOM 0 HG SER A 13 7.763 -14.806 4.963 1.00 0.00 H new ATOM 189 N LYS A 14 4.487 -11.291 5.399 1.00 0.00 N ATOM 190 CA LYS A 14 4.056 -9.951 5.774 1.00 0.00 C ATOM 191 C LYS A 14 4.359 -8.955 4.660 1.00 0.00 C ATOM 192 O LYS A 14 5.382 -9.060 3.982 1.00 0.00 O ATOM 193 CB LYS A 14 4.744 -9.508 7.069 1.00 0.00 C ATOM 194 CG LYS A 14 6.257 -9.644 7.035 1.00 0.00 C ATOM 195 CD LYS A 14 6.911 -8.851 8.155 1.00 0.00 C ATOM 196 CE LYS A 14 7.993 -7.925 7.626 1.00 0.00 C ATOM 197 NZ LYS A 14 8.663 -7.172 8.721 1.00 0.00 N ATOM 0 H LYS A 14 4.976 -11.339 4.505 1.00 0.00 H new ATOM 0 HA LYS A 14 2.979 -9.977 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.486 -8.468 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.354 -10.099 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.531 -10.695 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.633 -9.296 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.154 -8.266 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.343 -9.537 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.735 -8.508 7.080 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.555 -7.222 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.417 -6.577 8.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.967 -6.570 9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.074 -7.842 9.402 1.00 0.00 H new ATOM 211 N TYR A 15 3.471 -7.983 4.483 1.00 0.00 N ATOM 212 CA TYR A 15 3.647 -6.959 3.460 1.00 0.00 C ATOM 213 C TYR A 15 3.924 -5.614 4.118 1.00 0.00 C ATOM 214 O TYR A 15 3.265 -5.244 5.088 1.00 0.00 O ATOM 215 CB TYR A 15 2.400 -6.864 2.577 1.00 0.00 C ATOM 216 CG TYR A 15 2.701 -6.662 1.108 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.439 -5.569 0.669 1.00 0.00 C ATOM 218 CD2 TYR A 15 2.241 -7.566 0.157 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.710 -5.382 -0.674 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.508 -7.386 -1.187 1.00 0.00 C ATOM 221 CZ TYR A 15 3.243 -6.293 -1.597 1.00 0.00 C ATOM 222 OH TYR A 15 3.509 -6.111 -2.935 1.00 0.00 O ATOM 0 H TYR A 15 2.620 -7.883 5.036 1.00 0.00 H new ATOM 0 HA TYR A 15 4.495 -7.233 2.833 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.813 -7.775 2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.781 -6.038 2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.807 -4.853 1.389 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.665 -8.423 0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.284 -4.527 -0.998 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.143 -8.098 -1.913 1.00 0.00 H new ATOM 0 HH TYR A 15 4.221 -5.446 -3.039 1.00 0.00 H new ATOM 232 N ILE A 16 4.901 -4.884 3.597 1.00 0.00 N ATOM 233 CA ILE A 16 5.249 -3.589 4.155 1.00 0.00 C ATOM 234 C ILE A 16 4.948 -2.468 3.174 1.00 0.00 C ATOM 235 O ILE A 16 5.475 -2.439 2.063 1.00 0.00 O ATOM 236 CB ILE A 16 6.735 -3.525 4.553 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.997 -4.470 5.730 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.130 -2.093 4.903 1.00 0.00 C ATOM 239 CD1 ILE A 16 8.341 -4.267 6.393 1.00 0.00 C ATOM 0 H ILE A 16 5.462 -5.166 2.794 1.00 0.00 H new ATOM 0 HA ILE A 16 4.638 -3.459 5.048 1.00 0.00 H new ATOM 0 HB ILE A 16 7.346 -3.845 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.212 -4.334 6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.928 -5.500 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.183 -2.064 5.182 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.966 -1.449 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.523 -1.742 5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.451 -4.973 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.135 -4.433 5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.407 -3.249 6.777 1.00 0.00 H new ATOM 251 N LEU A 17 4.103 -1.540 3.603 1.00 0.00 N ATOM 252 CA LEU A 17 3.734 -0.404 2.777 1.00 0.00 C ATOM 253 C LEU A 17 4.437 0.845 3.283 1.00 0.00 C ATOM 254 O LEU A 17 4.182 1.300 4.395 1.00 0.00 O ATOM 255 CB LEU A 17 2.216 -0.203 2.803 1.00 0.00 C ATOM 256 CG LEU A 17 1.701 1.022 2.041 1.00 0.00 C ATOM 257 CD1 LEU A 17 2.030 0.918 0.560 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.202 1.181 2.246 1.00 0.00 C ATOM 0 H LEU A 17 3.660 -1.554 4.522 1.00 0.00 H new ATOM 0 HA LEU A 17 4.041 -0.595 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.742 -1.093 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.895 -0.125 3.842 1.00 0.00 H new ATOM 0 HG LEU A 17 2.202 1.906 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.654 1.800 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.110 0.854 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.562 0.025 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.149 2.056 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.312 0.293 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.008 1.309 3.308 1.00 0.00 H new ATOM 270 N ARG A 18 5.328 1.390 2.466 1.00 0.00 N ATOM 271 CA ARG A 18 6.073 2.582 2.841 1.00 0.00 C ATOM 272 C ARG A 18 5.825 3.708 1.851 1.00 0.00 C ATOM 273 O ARG A 18 5.973 3.525 0.644 1.00 0.00 O ATOM 274 CB ARG A 18 7.570 2.268 2.911 1.00 0.00 C ATOM 275 CG ARG A 18 7.988 1.093 2.039 1.00 0.00 C ATOM 276 CD ARG A 18 8.897 0.131 2.788 1.00 0.00 C ATOM 277 NE ARG A 18 9.957 0.831 3.510 1.00 0.00 N ATOM 278 CZ ARG A 18 10.867 0.219 4.262 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.848 -1.100 4.393 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.801 0.928 4.883 1.00 0.00 N ATOM 0 H ARG A 18 5.552 1.025 1.540 1.00 0.00 H new ATOM 0 HA ARG A 18 5.729 2.905 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.132 3.152 2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.840 2.056 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.101 0.562 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.502 1.463 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.305 -0.455 3.491 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.341 -0.572 2.083 1.00 0.00 H new ATOM 0 HE ARG A 18 10.001 1.847 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.133 -1.650 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.548 -1.565 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.821 1.943 4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.499 0.458 5.460 1.00 0.00 H new ATOM 294 N TRP A 19 5.454 4.880 2.362 1.00 0.00 N ATOM 295 CA TRP A 19 5.199 6.021 1.508 1.00 0.00 C ATOM 296 C TRP A 19 5.560 7.315 2.220 1.00 0.00 C ATOM 297 O TRP A 19 5.632 7.364 3.452 1.00 0.00 O ATOM 298 CB TRP A 19 3.736 6.045 1.073 1.00 0.00 C ATOM 299 CG TRP A 19 2.780 6.251 2.202 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.108 7.395 2.475 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.386 5.304 3.205 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.319 7.233 3.586 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.471 5.957 4.053 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.714 3.974 3.470 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.883 5.326 5.146 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.128 3.347 4.557 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.223 4.023 5.381 1.00 0.00 C ATOM 0 H TRP A 19 5.326 5.057 3.358 1.00 0.00 H new ATOM 0 HA TRP A 19 5.825 5.931 0.620 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.596 6.840 0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.499 5.106 0.574 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.183 8.306 1.900 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.718 7.947 3.996 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.412 3.443 2.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.184 5.847 5.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.374 2.318 4.772 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.783 3.505 6.221 1.00 0.00 H new ATOM 318 N ARG A 20 5.791 8.355 1.431 1.00 0.00 N ATOM 319 CA ARG A 20 6.150 9.664 1.963 1.00 0.00 C ATOM 320 C ARG A 20 5.890 10.756 0.926 1.00 0.00 C ATOM 321 O ARG A 20 5.751 10.465 -0.261 1.00 0.00 O ATOM 322 CB ARG A 20 7.622 9.675 2.397 1.00 0.00 C ATOM 323 CG ARG A 20 8.600 9.956 1.267 1.00 0.00 C ATOM 324 CD ARG A 20 9.715 10.888 1.716 1.00 0.00 C ATOM 325 NE ARG A 20 11.015 10.475 1.196 1.00 0.00 N ATOM 326 CZ ARG A 20 12.159 11.081 1.505 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.160 12.130 2.316 1.00 0.00 N ATOM 328 NH2 ARG A 20 13.302 10.640 0.999 1.00 0.00 N ATOM 0 H ARG A 20 5.736 8.318 0.413 1.00 0.00 H new ATOM 0 HA ARG A 20 5.528 9.866 2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.755 10.428 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.866 8.711 2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.028 9.018 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.068 10.401 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.496 11.902 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.751 10.912 2.805 1.00 0.00 H new ATOM 0 HE ARG A 20 11.048 9.678 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.282 12.475 2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.038 12.592 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.305 9.835 0.372 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.178 11.105 1.237 1.00 0.00 H new ATOM 342 N PRO A 21 5.819 12.032 1.350 1.00 0.00 N ATOM 343 CA PRO A 21 5.574 13.153 0.433 1.00 0.00 C ATOM 344 C PRO A 21 6.633 13.239 -0.658 1.00 0.00 C ATOM 345 O PRO A 21 7.796 13.543 -0.392 1.00 0.00 O ATOM 346 CB PRO A 21 5.633 14.380 1.349 1.00 0.00 C ATOM 347 CG PRO A 21 5.315 13.840 2.698 1.00 0.00 C ATOM 348 CD PRO A 21 5.964 12.492 2.742 1.00 0.00 C ATOM 0 HA PRO A 21 4.627 13.054 -0.098 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.618 14.846 1.328 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.914 15.140 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.701 14.489 3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.238 13.764 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.010 12.553 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.468 11.824 3.446 1.00 0.00 H new ATOM 356 N LYS A 22 6.217 12.954 -1.886 1.00 0.00 N ATOM 357 CA LYS A 22 7.112 12.978 -3.036 1.00 0.00 C ATOM 358 C LYS A 22 7.832 14.322 -3.167 1.00 0.00 C ATOM 359 O LYS A 22 8.911 14.398 -3.754 1.00 0.00 O ATOM 360 CB LYS A 22 6.322 12.677 -4.311 1.00 0.00 C ATOM 361 CG LYS A 22 7.146 12.010 -5.398 1.00 0.00 C ATOM 362 CD LYS A 22 7.568 13.008 -6.466 1.00 0.00 C ATOM 363 CE LYS A 22 6.583 13.049 -7.625 1.00 0.00 C ATOM 364 NZ LYS A 22 5.590 11.939 -7.561 1.00 0.00 N ATOM 0 H LYS A 22 5.255 12.701 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 22 7.873 12.212 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.478 12.034 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.909 13.608 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.031 11.552 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.566 11.208 -5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.649 14.001 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.557 12.744 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.058 14.004 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.130 12.991 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.930 12.017 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.086 11.026 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.060 11.998 -6.668 1.00 0.00 H new ATOM 378 N ASN A 23 7.230 15.379 -2.623 1.00 0.00 N ATOM 379 CA ASN A 23 7.824 16.714 -2.693 1.00 0.00 C ATOM 380 C ASN A 23 8.541 17.084 -1.397 1.00 0.00 C ATOM 381 O ASN A 23 9.643 17.630 -1.424 1.00 0.00 O ATOM 382 CB ASN A 23 6.748 17.758 -2.998 1.00 0.00 C ATOM 383 CG ASN A 23 7.276 18.913 -3.829 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.859 20.058 -3.655 1.00 0.00 O ATOM 385 ND2 ASN A 23 8.197 18.618 -4.740 1.00 0.00 N ATOM 0 H ASN A 23 6.337 15.338 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 23 8.561 16.700 -3.496 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.924 17.281 -3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.345 18.143 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.587 19.354 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.515 17.655 -4.851 1.00 0.00 H new ATOM 392 N SER A 24 7.905 16.794 -0.267 1.00 0.00 N ATOM 393 CA SER A 24 8.483 17.111 1.036 1.00 0.00 C ATOM 394 C SER A 24 9.519 16.074 1.451 1.00 0.00 C ATOM 395 O SER A 24 9.723 15.073 0.764 1.00 0.00 O ATOM 396 CB SER A 24 7.384 17.202 2.096 1.00 0.00 C ATOM 397 OG SER A 24 7.597 18.304 2.961 1.00 0.00 O ATOM 0 H SER A 24 6.992 16.341 -0.226 1.00 0.00 H new ATOM 0 HA SER A 24 8.983 18.076 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.413 17.300 1.610 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.358 16.280 2.677 1.00 0.00 H new ATOM 0 HG SER A 24 6.880 18.340 3.628 1.00 0.00 H new ATOM 403 N VAL A 25 10.171 16.325 2.583 1.00 0.00 N ATOM 404 CA VAL A 25 11.190 15.420 3.101 1.00 0.00 C ATOM 405 C VAL A 25 11.024 15.214 4.605 1.00 0.00 C ATOM 406 O VAL A 25 10.624 16.128 5.326 1.00 0.00 O ATOM 407 CB VAL A 25 12.609 15.952 2.815 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.828 17.293 3.499 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.661 14.945 3.255 1.00 0.00 C ATOM 0 H VAL A 25 10.010 17.151 3.160 1.00 0.00 H new ATOM 0 HA VAL A 25 11.061 14.466 2.591 1.00 0.00 H new ATOM 0 HB VAL A 25 12.707 16.098 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.835 17.651 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.100 18.014 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.706 17.176 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.654 15.341 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.564 14.761 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.520 14.011 2.712 1.00 0.00 H new ATOM 419 N GLY A 26 11.332 14.007 5.071 1.00 0.00 N ATOM 420 CA GLY A 26 11.211 13.704 6.485 1.00 0.00 C ATOM 421 C GLY A 26 11.338 12.222 6.775 1.00 0.00 C ATOM 422 O GLY A 26 12.416 11.644 6.627 1.00 0.00 O ATOM 0 H GLY A 26 11.663 13.234 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.980 14.246 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.247 14.061 6.848 1.00 0.00 H new ATOM 426 N ARG A 27 10.236 11.604 7.191 1.00 0.00 N ATOM 427 CA ARG A 27 10.229 10.180 7.503 1.00 0.00 C ATOM 428 C ARG A 27 9.108 9.462 6.760 1.00 0.00 C ATOM 429 O ARG A 27 8.050 10.038 6.507 1.00 0.00 O ATOM 430 CB ARG A 27 10.073 9.967 9.010 1.00 0.00 C ATOM 431 CG ARG A 27 11.392 9.958 9.764 1.00 0.00 C ATOM 432 CD ARG A 27 12.139 8.648 9.564 1.00 0.00 C ATOM 433 NE ARG A 27 11.527 7.550 10.308 1.00 0.00 N ATOM 434 CZ ARG A 27 11.278 6.351 9.785 1.00 0.00 C ATOM 435 NH1 ARG A 27 11.585 6.099 8.518 1.00 0.00 N ATOM 436 NH2 ARG A 27 10.722 5.404 10.528 1.00 0.00 N ATOM 0 H ARG A 27 9.337 12.068 7.320 1.00 0.00 H new ATOM 0 HA ARG A 27 11.181 9.761 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.438 10.754 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.559 9.022 9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.012 10.787 9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.206 10.114 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.159 8.400 8.503 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.174 8.769 9.882 1.00 0.00 H new ATOM 0 HE ARG A 27 11.276 7.711 11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.013 6.825 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.393 5.180 8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.484 5.593 11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.532 4.486 10.126 1.00 0.00 H new ATOM 450 N TRP A 28 9.348 8.200 6.414 1.00 0.00 N ATOM 451 CA TRP A 28 8.360 7.399 5.701 1.00 0.00 C ATOM 452 C TRP A 28 7.342 6.804 6.668 1.00 0.00 C ATOM 453 O TRP A 28 7.370 7.085 7.866 1.00 0.00 O ATOM 454 CB TRP A 28 9.047 6.277 4.919 1.00 0.00 C ATOM 455 CG TRP A 28 9.931 6.769 3.814 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.121 7.427 3.946 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.696 6.643 2.406 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.640 7.716 2.707 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.784 7.245 1.747 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.672 6.078 1.639 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.876 7.298 0.357 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.766 6.132 0.261 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.861 6.737 -0.367 1.00 0.00 C ATOM 0 H TRP A 28 10.220 7.710 6.617 1.00 0.00 H new ATOM 0 HA TRP A 28 7.837 8.053 5.003 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.641 5.677 5.608 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.286 5.620 4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.586 7.683 4.887 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.519 8.202 2.531 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.824 5.608 2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.719 7.765 -0.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.981 5.700 -0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.905 6.761 -1.446 1.00 0.00 H new ATOM 474 N LYS A 29 6.453 5.969 6.140 1.00 0.00 N ATOM 475 CA LYS A 29 5.430 5.318 6.951 1.00 0.00 C ATOM 476 C LYS A 29 5.294 3.866 6.523 1.00 0.00 C ATOM 477 O LYS A 29 5.076 3.588 5.348 1.00 0.00 O ATOM 478 CB LYS A 29 4.090 6.042 6.802 1.00 0.00 C ATOM 479 CG LYS A 29 3.690 6.841 8.031 1.00 0.00 C ATOM 480 CD LYS A 29 2.206 6.698 8.332 1.00 0.00 C ATOM 481 CE LYS A 29 1.920 5.447 9.146 1.00 0.00 C ATOM 482 NZ LYS A 29 0.465 5.275 9.409 1.00 0.00 N ATOM 0 H LYS A 29 6.420 5.726 5.150 1.00 0.00 H new ATOM 0 HA LYS A 29 5.726 5.358 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.142 6.713 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.313 5.309 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.270 6.504 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.931 7.893 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.858 7.575 8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.646 6.661 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.298 4.574 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.456 5.500 10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.313 4.410 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.109 6.096 9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.044 5.198 8.506 1.00 0.00 H new ATOM 496 N GLU A 30 5.446 2.941 7.467 1.00 0.00 N ATOM 497 CA GLU A 30 5.362 1.517 7.149 1.00 0.00 C ATOM 498 C GLU A 30 4.240 0.823 7.913 1.00 0.00 C ATOM 499 O GLU A 30 4.056 1.039 9.111 1.00 0.00 O ATOM 500 CB GLU A 30 6.695 0.832 7.455 1.00 0.00 C ATOM 501 CG GLU A 30 7.744 1.033 6.374 1.00 0.00 C ATOM 502 CD GLU A 30 9.070 1.517 6.929 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.855 0.674 7.413 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.323 2.738 6.878 1.00 0.00 O ATOM 0 H GLU A 30 5.626 3.148 8.449 1.00 0.00 H new ATOM 0 HA GLU A 30 5.139 1.434 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.081 1.213 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.523 -0.236 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.898 0.093 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.375 1.754 5.645 1.00 0.00 H new ATOM 511 N ALA A 31 3.501 -0.027 7.202 1.00 0.00 N ATOM 512 CA ALA A 31 2.400 -0.781 7.790 1.00 0.00 C ATOM 513 C ALA A 31 2.425 -2.225 7.298 1.00 0.00 C ATOM 514 O ALA A 31 2.686 -2.480 6.122 1.00 0.00 O ATOM 515 CB ALA A 31 1.068 -0.128 7.454 1.00 0.00 C ATOM 0 H ALA A 31 3.648 -0.210 6.209 1.00 0.00 H new ATOM 0 HA ALA A 31 2.519 -0.781 8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.258 -0.704 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.051 0.888 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.939 -0.100 6.372 1.00 0.00 H new ATOM 521 N THR A 32 2.169 -3.170 8.198 1.00 0.00 N ATOM 522 CA THR A 32 2.184 -4.583 7.835 1.00 0.00 C ATOM 523 C THR A 32 0.797 -5.098 7.474 1.00 0.00 C ATOM 524 O THR A 32 -0.174 -4.879 8.201 1.00 0.00 O ATOM 525 CB THR A 32 2.754 -5.460 8.967 1.00 0.00 C ATOM 526 OG1 THR A 32 4.079 -5.030 9.302 1.00 0.00 O ATOM 527 CG2 THR A 32 2.779 -6.927 8.553 1.00 0.00 C ATOM 0 H THR A 32 1.950 -2.985 9.177 1.00 0.00 H new ATOM 0 HA THR A 32 2.830 -4.655 6.960 1.00 0.00 H new ATOM 0 HB THR A 32 2.109 -5.355 9.839 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.433 -5.592 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.185 -7.528 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.765 -7.259 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.405 -7.045 7.668 1.00 0.00 H new ATOM 535 N ILE A 33 0.726 -5.809 6.355 1.00 0.00 N ATOM 536 CA ILE A 33 -0.520 -6.396 5.886 1.00 0.00 C ATOM 537 C ILE A 33 -0.276 -7.828 5.423 1.00 0.00 C ATOM 538 O ILE A 33 0.342 -8.051 4.383 1.00 0.00 O ATOM 539 CB ILE A 33 -1.141 -5.595 4.723 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.937 -4.094 4.932 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.622 -5.921 4.590 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.034 -3.457 3.898 1.00 0.00 C ATOM 0 H ILE A 33 1.527 -5.993 5.751 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.218 -6.377 6.723 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.638 -5.881 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.907 -3.597 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.515 -3.927 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.048 -5.349 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.744 -6.986 4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.136 -5.662 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.066 -2.392 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.949 -3.927 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.465 -3.592 2.906 1.00 0.00 H new ATOM 554 N PRO A 34 -0.743 -8.823 6.195 1.00 0.00 N ATOM 555 CA PRO A 34 -0.556 -10.236 5.856 1.00 0.00 C ATOM 556 C PRO A 34 -1.293 -10.624 4.578 1.00 0.00 C ATOM 557 O PRO A 34 -2.413 -11.133 4.624 1.00 0.00 O ATOM 558 CB PRO A 34 -1.141 -10.984 7.060 1.00 0.00 C ATOM 559 CG PRO A 34 -1.238 -9.968 8.147 1.00 0.00 C ATOM 560 CD PRO A 34 -1.475 -8.657 7.460 1.00 0.00 C ATOM 0 HA PRO A 34 0.492 -10.471 5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.120 -11.403 6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.501 -11.815 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.053 -10.204 8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.323 -9.940 8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.536 -8.472 7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.093 -7.819 8.043 1.00 0.00 H new ATOM 568 N GLY A 35 -0.656 -10.374 3.437 1.00 0.00 N ATOM 569 CA GLY A 35 -1.264 -10.699 2.160 1.00 0.00 C ATOM 570 C GLY A 35 -2.385 -9.748 1.799 1.00 0.00 C ATOM 571 O GLY A 35 -2.155 -8.715 1.169 1.00 0.00 O ATOM 0 H GLY A 35 0.271 -9.952 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.503 -10.672 1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.651 -11.717 2.193 1.00 0.00 H new ATOM 575 N HIS A 36 -3.602 -10.098 2.200 1.00 0.00 N ATOM 576 CA HIS A 36 -4.769 -9.272 1.919 1.00 0.00 C ATOM 577 C HIS A 36 -5.974 -9.750 2.723 1.00 0.00 C ATOM 578 O HIS A 36 -6.703 -10.645 2.293 1.00 0.00 O ATOM 579 CB HIS A 36 -5.092 -9.298 0.425 1.00 0.00 C ATOM 580 CG HIS A 36 -5.407 -7.949 -0.142 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.577 -6.875 0.065 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.464 -7.556 -0.894 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.141 -5.857 -0.560 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.287 -6.221 -1.157 1.00 0.00 N ATOM 0 H HIS A 36 -3.806 -10.950 2.722 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.540 -8.248 2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.245 -9.721 -0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.940 -9.961 0.256 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.286 -8.174 -1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.732 -4.858 -0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.907 -5.621 -1.701 1.00 0.00 H new ATOM 592 N LEU A 37 -6.173 -9.153 3.893 1.00 0.00 N ATOM 593 CA LEU A 37 -7.289 -9.525 4.757 1.00 0.00 C ATOM 594 C LEU A 37 -8.623 -9.159 4.111 1.00 0.00 C ATOM 595 O LEU A 37 -9.616 -9.866 4.285 1.00 0.00 O ATOM 596 CB LEU A 37 -7.178 -8.870 6.149 1.00 0.00 C ATOM 597 CG LEU A 37 -6.303 -7.612 6.266 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.826 -7.975 6.240 1.00 0.00 C ATOM 599 CD2 LEU A 37 -6.636 -6.602 5.174 1.00 0.00 C ATOM 0 H LEU A 37 -5.579 -8.412 4.265 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.245 -10.606 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.184 -8.614 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.792 -9.616 6.843 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.520 -7.144 7.226 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.227 -7.068 6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.600 -8.638 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.592 -8.479 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.000 -5.724 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.465 -7.053 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.682 -6.306 5.259 1.00 0.00 H new ATOM 611 N ASN A 38 -8.633 -8.061 3.354 1.00 0.00 N ATOM 612 CA ASN A 38 -9.839 -7.601 2.665 1.00 0.00 C ATOM 613 C ASN A 38 -9.560 -6.318 1.881 1.00 0.00 C ATOM 614 O ASN A 38 -9.145 -6.371 0.722 1.00 0.00 O ATOM 615 CB ASN A 38 -10.985 -7.373 3.660 1.00 0.00 C ATOM 616 CG ASN A 38 -11.989 -8.510 3.656 1.00 0.00 C ATOM 617 OD1 ASN A 38 -12.184 -9.185 4.667 1.00 0.00 O ATOM 618 ND2 ASN A 38 -12.633 -8.728 2.515 1.00 0.00 N ATOM 0 H ASN A 38 -7.815 -7.471 3.202 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.140 -8.379 1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.574 -7.258 4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.495 -6.441 3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.320 -9.479 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.440 -8.144 1.701 1.00 0.00 H new ATOM 625 N SER A 39 -9.789 -5.168 2.513 1.00 0.00 N ATOM 626 CA SER A 39 -9.558 -3.880 1.867 1.00 0.00 C ATOM 627 C SER A 39 -8.679 -2.984 2.735 1.00 0.00 C ATOM 628 O SER A 39 -9.062 -2.614 3.845 1.00 0.00 O ATOM 629 CB SER A 39 -10.891 -3.186 1.581 1.00 0.00 C ATOM 630 OG SER A 39 -11.959 -4.118 1.563 1.00 0.00 O ATOM 0 H SER A 39 -10.134 -5.103 3.471 1.00 0.00 H new ATOM 0 HA SER A 39 -9.040 -4.061 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.080 -2.427 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.838 -2.671 0.622 1.00 0.00 H new ATOM 0 HG SER A 39 -12.800 -3.649 1.380 1.00 0.00 H new ATOM 636 N TYR A 40 -7.504 -2.632 2.221 1.00 0.00 N ATOM 637 CA TYR A 40 -6.582 -1.772 2.954 1.00 0.00 C ATOM 638 C TYR A 40 -6.412 -0.430 2.249 1.00 0.00 C ATOM 639 O TYR A 40 -5.683 -0.322 1.263 1.00 0.00 O ATOM 640 CB TYR A 40 -5.221 -2.453 3.114 1.00 0.00 C ATOM 641 CG TYR A 40 -4.497 -2.057 4.382 1.00 0.00 C ATOM 642 CD1 TYR A 40 -3.997 -0.771 4.547 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.318 -2.968 5.416 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.337 -0.405 5.705 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.660 -2.608 6.577 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.172 -1.327 6.717 1.00 0.00 C ATOM 647 OH TYR A 40 -2.516 -0.967 7.871 1.00 0.00 O ATOM 0 H TYR A 40 -7.169 -2.928 1.304 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.006 -1.594 3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.361 -3.534 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.596 -2.206 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.126 -0.046 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.699 -3.973 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.952 0.598 5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.529 -3.328 7.371 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.486 -1.732 8.483 1.00 0.00 H new ATOM 657 N THR A 41 -7.089 0.588 2.767 1.00 0.00 N ATOM 658 CA THR A 41 -7.016 1.927 2.196 1.00 0.00 C ATOM 659 C THR A 41 -6.501 2.928 3.224 1.00 0.00 C ATOM 660 O THR A 41 -6.988 2.979 4.353 1.00 0.00 O ATOM 661 CB THR A 41 -8.391 2.394 1.683 1.00 0.00 C ATOM 662 OG1 THR A 41 -9.433 1.660 2.336 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.499 2.207 0.178 1.00 0.00 C ATOM 0 H THR A 41 -7.696 0.511 3.583 1.00 0.00 H new ATOM 0 HA THR A 41 -6.323 1.880 1.356 1.00 0.00 H new ATOM 0 HB THR A 41 -8.497 3.455 1.910 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.304 1.964 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.479 2.544 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.723 2.790 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.373 1.153 -0.068 1.00 0.00 H new ATOM 671 N ILE A 42 -5.512 3.722 2.826 1.00 0.00 N ATOM 672 CA ILE A 42 -4.932 4.721 3.716 1.00 0.00 C ATOM 673 C ILE A 42 -5.785 5.983 3.753 1.00 0.00 C ATOM 674 O ILE A 42 -5.992 6.634 2.729 1.00 0.00 O ATOM 675 CB ILE A 42 -3.501 5.098 3.285 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.736 3.856 2.820 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.767 5.780 4.429 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.667 4.155 1.792 1.00 0.00 C ATOM 0 H ILE A 42 -5.096 3.693 1.895 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.899 4.276 4.710 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.563 5.795 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.274 3.379 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.442 3.140 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.758 6.040 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.302 6.685 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.715 5.104 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.166 3.229 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.125 4.604 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.939 4.847 2.215 1.00 0.00 H new ATOM 690 N LYS A 43 -6.279 6.322 4.941 1.00 0.00 N ATOM 691 CA LYS A 43 -7.108 7.507 5.116 1.00 0.00 C ATOM 692 C LYS A 43 -6.338 8.605 5.842 1.00 0.00 C ATOM 693 O LYS A 43 -5.146 8.461 6.115 1.00 0.00 O ATOM 694 CB LYS A 43 -8.381 7.157 5.891 1.00 0.00 C ATOM 695 CG LYS A 43 -9.654 7.395 5.097 1.00 0.00 C ATOM 696 CD LYS A 43 -10.572 6.183 5.135 1.00 0.00 C ATOM 697 CE LYS A 43 -11.270 5.973 3.801 1.00 0.00 C ATOM 698 NZ LYS A 43 -12.601 6.641 3.757 1.00 0.00 N ATOM 0 H LYS A 43 -6.118 5.791 5.797 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.386 7.876 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.339 6.110 6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.416 7.749 6.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.178 8.262 5.500 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.400 7.628 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.994 5.295 5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.317 6.313 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.643 6.361 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.394 4.905 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.043 6.473 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.209 6.253 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.481 7.664 3.903 1.00 0.00 H new ATOM 712 N GLY A 44 -7.024 9.702 6.147 1.00 0.00 N ATOM 713 CA GLY A 44 -6.385 10.809 6.834 1.00 0.00 C ATOM 714 C GLY A 44 -5.448 11.582 5.927 1.00 0.00 C ATOM 715 O GLY A 44 -4.308 11.866 6.297 1.00 0.00 O ATOM 0 H GLY A 44 -8.011 9.844 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.149 11.482 7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.828 10.430 7.691 1.00 0.00 H new ATOM 719 N LEU A 45 -5.929 11.917 4.734 1.00 0.00 N ATOM 720 CA LEU A 45 -5.129 12.655 3.762 1.00 0.00 C ATOM 721 C LEU A 45 -5.961 13.751 3.094 1.00 0.00 C ATOM 722 O LEU A 45 -7.186 13.765 3.216 1.00 0.00 O ATOM 723 CB LEU A 45 -4.570 11.699 2.707 1.00 0.00 C ATOM 724 CG LEU A 45 -4.708 10.210 3.030 1.00 0.00 C ATOM 725 CD1 LEU A 45 -5.306 9.464 1.848 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.355 9.621 3.404 1.00 0.00 C ATOM 0 H LEU A 45 -6.871 11.689 4.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.299 13.128 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.073 11.896 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.514 11.925 2.560 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.379 10.100 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.398 8.406 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.292 9.871 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.658 9.580 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.470 8.561 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.663 9.741 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.962 10.139 4.279 1.00 0.00 H new ATOM 738 N LYS A 46 -5.296 14.673 2.392 1.00 0.00 N ATOM 739 CA LYS A 46 -6.002 15.763 1.721 1.00 0.00 C ATOM 740 C LYS A 46 -5.320 16.186 0.419 1.00 0.00 C ATOM 741 O LYS A 46 -4.192 16.677 0.428 1.00 0.00 O ATOM 742 CB LYS A 46 -6.141 16.969 2.654 1.00 0.00 C ATOM 743 CG LYS A 46 -4.815 17.541 3.122 1.00 0.00 C ATOM 744 CD LYS A 46 -4.590 18.943 2.579 1.00 0.00 C ATOM 745 CE LYS A 46 -3.752 19.782 3.531 1.00 0.00 C ATOM 746 NZ LYS A 46 -2.704 18.972 4.212 1.00 0.00 N ATOM 0 H LYS A 46 -4.283 14.686 2.275 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.992 15.387 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.702 17.750 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.727 16.676 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.792 17.564 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.003 16.890 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.093 18.884 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.552 19.429 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.280 20.595 2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.400 20.239 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.943 19.598 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.123 18.475 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.314 18.277 3.544 1.00 0.00 H new ATOM 760 N PRO A 47 -6.013 16.013 -0.726 1.00 0.00 N ATOM 761 CA PRO A 47 -5.482 16.386 -2.042 1.00 0.00 C ATOM 762 C PRO A 47 -4.824 17.761 -2.039 1.00 0.00 C ATOM 763 O PRO A 47 -5.501 18.790 -1.999 1.00 0.00 O ATOM 764 CB PRO A 47 -6.724 16.384 -2.932 1.00 0.00 C ATOM 765 CG PRO A 47 -7.629 15.380 -2.307 1.00 0.00 C ATOM 766 CD PRO A 47 -7.376 15.451 -0.824 1.00 0.00 C ATOM 0 HA PRO A 47 -4.699 15.705 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.189 17.369 -2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.477 16.111 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.672 15.601 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.424 14.380 -2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.107 16.085 -0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.437 14.467 -0.360 1.00 0.00 H new ATOM 774 N GLY A 48 -3.497 17.763 -2.080 1.00 0.00 N ATOM 775 CA GLY A 48 -2.741 19.002 -2.079 1.00 0.00 C ATOM 776 C GLY A 48 -1.251 18.741 -2.046 1.00 0.00 C ATOM 777 O GLY A 48 -0.463 19.485 -2.628 1.00 0.00 O ATOM 0 H GLY A 48 -2.925 16.919 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.990 19.583 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.026 19.603 -1.215 1.00 0.00 H new ATOM 781 N VAL A 49 -0.873 17.662 -1.369 1.00 0.00 N ATOM 782 CA VAL A 49 0.522 17.265 -1.257 1.00 0.00 C ATOM 783 C VAL A 49 0.748 15.985 -2.056 1.00 0.00 C ATOM 784 O VAL A 49 -0.062 15.061 -1.997 1.00 0.00 O ATOM 785 CB VAL A 49 0.923 17.062 0.229 1.00 0.00 C ATOM 786 CG1 VAL A 49 -0.307 16.747 1.073 1.00 0.00 C ATOM 787 CG2 VAL A 49 1.997 15.979 0.394 1.00 0.00 C ATOM 0 H VAL A 49 -1.523 17.042 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 49 1.151 18.058 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 49 1.359 17.996 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.009 16.607 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.015 17.573 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.777 15.835 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.246 15.872 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.619 15.031 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.890 16.264 -0.162 1.00 0.00 H new ATOM 797 N VAL A 50 1.838 15.938 -2.814 1.00 0.00 N ATOM 798 CA VAL A 50 2.136 14.765 -3.625 1.00 0.00 C ATOM 799 C VAL A 50 2.678 13.638 -2.758 1.00 0.00 C ATOM 800 O VAL A 50 3.444 13.872 -1.822 1.00 0.00 O ATOM 801 CB VAL A 50 3.140 15.088 -4.749 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.464 15.555 -4.171 1.00 0.00 C ATOM 803 CG2 VAL A 50 3.339 13.881 -5.654 1.00 0.00 C ATOM 0 H VAL A 50 2.523 16.690 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 50 1.202 14.446 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 50 2.730 15.899 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.157 15.777 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.304 16.453 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.883 14.770 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.051 14.130 -6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.723 13.046 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.386 13.601 -6.103 1.00 0.00 H new ATOM 813 N TYR A 51 2.254 12.416 -3.058 1.00 0.00 N ATOM 814 CA TYR A 51 2.672 11.251 -2.288 1.00 0.00 C ATOM 815 C TYR A 51 3.268 10.170 -3.174 1.00 0.00 C ATOM 816 O TYR A 51 2.783 9.914 -4.275 1.00 0.00 O ATOM 817 CB TYR A 51 1.467 10.659 -1.543 1.00 0.00 C ATOM 818 CG TYR A 51 1.542 10.665 -0.024 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.626 11.197 0.670 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.496 10.131 0.718 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.660 11.195 2.049 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.523 10.127 2.098 1.00 0.00 C ATOM 823 CZ TYR A 51 1.608 10.659 2.760 1.00 0.00 C ATOM 824 OH TYR A 51 1.641 10.659 4.135 1.00 0.00 O ATOM 0 H TYR A 51 1.621 12.206 -3.830 1.00 0.00 H new ATOM 0 HA TYR A 51 3.435 11.585 -1.585 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.575 11.210 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.333 9.629 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.454 11.618 0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.356 9.710 0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.509 11.612 2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.302 9.709 2.656 1.00 0.00 H new ATOM 0 HH TYR A 51 0.823 10.246 4.482 1.00 0.00 H new ATOM 834 N GLU A 52 4.293 9.507 -2.659 1.00 0.00 N ATOM 835 CA GLU A 52 4.923 8.408 -3.374 1.00 0.00 C ATOM 836 C GLU A 52 4.724 7.132 -2.569 1.00 0.00 C ATOM 837 O GLU A 52 4.979 7.106 -1.366 1.00 0.00 O ATOM 838 CB GLU A 52 6.412 8.678 -3.613 1.00 0.00 C ATOM 839 CG GLU A 52 7.225 8.848 -2.342 1.00 0.00 C ATOM 840 CD GLU A 52 8.664 9.237 -2.617 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.136 9.005 -3.750 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.320 9.774 -1.701 1.00 0.00 O ATOM 0 H GLU A 52 4.706 9.711 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 52 4.460 8.302 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.831 7.855 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.514 9.578 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.760 9.610 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.206 7.917 -1.776 1.00 0.00 H new ATOM 849 N GLY A 53 4.235 6.088 -3.222 1.00 0.00 N ATOM 850 CA GLY A 53 3.976 4.844 -2.525 1.00 0.00 C ATOM 851 C GLY A 53 4.901 3.721 -2.928 1.00 0.00 C ATOM 852 O GLY A 53 5.239 3.566 -4.102 1.00 0.00 O ATOM 0 H GLY A 53 4.014 6.079 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.069 5.012 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.946 4.540 -2.712 1.00 0.00 H new ATOM 856 N GLN A 54 5.299 2.928 -1.942 1.00 0.00 N ATOM 857 CA GLN A 54 6.182 1.795 -2.176 1.00 0.00 C ATOM 858 C GLN A 54 5.658 0.557 -1.457 1.00 0.00 C ATOM 859 O GLN A 54 5.619 0.516 -0.229 1.00 0.00 O ATOM 860 CB GLN A 54 7.599 2.114 -1.696 1.00 0.00 C ATOM 861 CG GLN A 54 8.371 3.030 -2.630 1.00 0.00 C ATOM 862 CD GLN A 54 9.511 2.319 -3.334 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.424 1.130 -3.637 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.591 3.047 -3.595 1.00 0.00 N ATOM 0 H GLN A 54 5.022 3.050 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 54 6.209 1.597 -3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.543 2.578 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.151 1.182 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.689 3.442 -3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.768 3.871 -2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.620 4.030 -3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.391 2.623 -4.065 1.00 0.00 H new ATOM 873 N LEU A 55 5.260 -0.452 -2.223 1.00 0.00 N ATOM 874 CA LEU A 55 4.745 -1.685 -1.643 1.00 0.00 C ATOM 875 C LEU A 55 5.764 -2.810 -1.777 1.00 0.00 C ATOM 876 O LEU A 55 5.989 -3.327 -2.871 1.00 0.00 O ATOM 877 CB LEU A 55 3.431 -2.091 -2.319 1.00 0.00 C ATOM 878 CG LEU A 55 2.162 -1.871 -1.486 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.974 -2.555 -2.141 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.349 -2.382 -0.063 1.00 0.00 C ATOM 0 H LEU A 55 5.284 -0.440 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 55 4.557 -1.506 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.334 -1.532 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.491 -3.146 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 55 1.968 -0.799 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.081 -2.390 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.820 -2.142 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.167 -3.625 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.435 -2.214 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.572 -3.449 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.174 -1.849 0.409 1.00 0.00 H new ATOM 892 N ILE A 56 6.377 -3.183 -0.660 1.00 0.00 N ATOM 893 CA ILE A 56 7.372 -4.245 -0.658 1.00 0.00 C ATOM 894 C ILE A 56 6.882 -5.458 0.123 1.00 0.00 C ATOM 895 O ILE A 56 6.562 -5.362 1.306 1.00 0.00 O ATOM 896 CB ILE A 56 8.711 -3.773 -0.060 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.244 -2.563 -0.833 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.726 -4.906 -0.083 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.687 -1.242 -0.353 1.00 0.00 C ATOM 0 H ILE A 56 6.202 -2.766 0.254 1.00 0.00 H new ATOM 0 HA ILE A 56 7.530 -4.523 -1.700 1.00 0.00 H new ATOM 0 HB ILE A 56 8.545 -3.475 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.331 -2.540 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.007 -2.685 -1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.668 -4.559 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.349 -5.744 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.889 -5.228 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.110 -0.432 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.602 -1.244 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.947 -1.097 0.696 1.00 0.00 H new ATOM 911 N SER A 57 6.838 -6.602 -0.550 1.00 0.00 N ATOM 912 CA SER A 57 6.402 -7.841 0.069 1.00 0.00 C ATOM 913 C SER A 57 7.585 -8.560 0.686 1.00 0.00 C ATOM 914 O SER A 57 8.629 -8.713 0.059 1.00 0.00 O ATOM 915 CB SER A 57 5.725 -8.740 -0.959 1.00 0.00 C ATOM 916 OG SER A 57 6.539 -9.854 -1.283 1.00 0.00 O ATOM 0 H SER A 57 7.102 -6.694 -1.531 1.00 0.00 H new ATOM 0 HA SER A 57 5.683 -7.603 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.768 -9.087 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.512 -8.168 -1.862 1.00 0.00 H new ATOM 0 HG SER A 57 6.021 -10.493 -1.816 1.00 0.00 H new ATOM 922 N ILE A 58 7.414 -8.987 1.921 1.00 0.00 N ATOM 923 CA ILE A 58 8.473 -9.685 2.636 1.00 0.00 C ATOM 924 C ILE A 58 8.107 -11.139 2.902 1.00 0.00 C ATOM 925 O ILE A 58 7.088 -11.434 3.526 1.00 0.00 O ATOM 926 CB ILE A 58 8.798 -8.983 3.967 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.362 -7.585 3.690 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.768 -9.818 4.798 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.847 -7.559 3.389 1.00 0.00 C ATOM 0 H ILE A 58 6.553 -8.865 2.454 1.00 0.00 H new ATOM 0 HA ILE A 58 9.355 -9.662 1.997 1.00 0.00 H new ATOM 0 HB ILE A 58 7.881 -8.878 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.825 -7.150 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.167 -6.950 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.983 -9.302 5.734 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.321 -10.788 5.013 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.694 -9.961 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.163 -6.532 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.398 -7.962 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.050 -8.165 2.506 1.00 0.00 H new ATOM 941 N GLN A 59 8.955 -12.040 2.422 1.00 0.00 N ATOM 942 CA GLN A 59 8.746 -13.471 2.600 1.00 0.00 C ATOM 943 C GLN A 59 9.906 -14.087 3.373 1.00 0.00 C ATOM 944 O GLN A 59 10.804 -13.379 3.828 1.00 0.00 O ATOM 945 CB GLN A 59 8.592 -14.162 1.245 1.00 0.00 C ATOM 946 CG GLN A 59 7.557 -15.276 1.244 1.00 0.00 C ATOM 947 CD GLN A 59 7.339 -15.867 -0.135 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.252 -15.900 -0.960 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.125 -16.337 -0.391 1.00 0.00 N ATOM 0 H GLN A 59 9.800 -11.802 1.903 1.00 0.00 H new ATOM 0 HA GLN A 59 7.829 -13.615 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.315 -13.419 0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.556 -14.573 0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.876 -16.064 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.611 -14.889 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.398 -16.289 0.323 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.918 -16.747 -1.302 1.00 0.00 H new ATOM 958 N GLN A 60 9.875 -15.406 3.525 1.00 0.00 N ATOM 959 CA GLN A 60 10.924 -16.116 4.252 1.00 0.00 C ATOM 960 C GLN A 60 12.287 -15.919 3.587 1.00 0.00 C ATOM 961 O GLN A 60 13.326 -16.075 4.228 1.00 0.00 O ATOM 962 CB GLN A 60 10.602 -17.613 4.350 1.00 0.00 C ATOM 963 CG GLN A 60 9.453 -18.062 3.459 1.00 0.00 C ATOM 964 CD GLN A 60 9.495 -19.546 3.149 1.00 0.00 C ATOM 965 OE1 GLN A 60 10.468 -20.232 3.463 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.435 -20.049 2.528 1.00 0.00 N ATOM 0 H GLN A 60 9.137 -16.006 3.156 1.00 0.00 H new ATOM 0 HA GLN A 60 10.967 -15.698 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.494 -18.183 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.361 -17.855 5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.507 -17.824 3.946 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.482 -17.500 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.650 -19.444 2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.405 -21.041 2.292 1.00 0.00 H new ATOM 975 N TYR A 61 12.278 -15.575 2.300 1.00 0.00 N ATOM 976 CA TYR A 61 13.521 -15.357 1.560 1.00 0.00 C ATOM 977 C TYR A 61 13.798 -13.865 1.372 1.00 0.00 C ATOM 978 O TYR A 61 14.621 -13.479 0.541 1.00 0.00 O ATOM 979 CB TYR A 61 13.473 -16.050 0.194 1.00 0.00 C ATOM 980 CG TYR A 61 12.508 -17.213 0.120 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.791 -18.419 0.749 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.316 -17.105 -0.584 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.912 -19.485 0.676 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.433 -18.163 -0.660 1.00 0.00 C ATOM 985 CZ TYR A 61 10.735 -19.351 -0.029 1.00 0.00 C ATOM 986 OH TYR A 61 9.858 -20.409 -0.104 1.00 0.00 O ATOM 0 H TYR A 61 11.429 -15.442 1.750 1.00 0.00 H new ATOM 0 HA TYR A 61 14.330 -15.790 2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.198 -15.316 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.473 -16.406 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.712 -18.526 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.076 -16.177 -1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.147 -20.417 1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.510 -18.061 -1.211 1.00 0.00 H new ATOM 0 HH TYR A 61 9.077 -20.150 -0.637 1.00 0.00 H new ATOM 996 N GLY A 62 13.108 -13.031 2.145 1.00 0.00 N ATOM 997 CA GLY A 62 13.297 -11.593 2.041 1.00 0.00 C ATOM 998 C GLY A 62 12.280 -10.941 1.124 1.00 0.00 C ATOM 999 O GLY A 62 11.307 -11.577 0.721 1.00 0.00 O ATOM 0 H GLY A 62 12.422 -13.324 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.226 -11.147 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.301 -11.387 1.670 1.00 0.00 H new ATOM 1003 N HIS A 63 12.503 -9.670 0.794 1.00 0.00 N ATOM 1004 CA HIS A 63 11.592 -8.938 -0.082 1.00 0.00 C ATOM 1005 C HIS A 63 11.412 -9.663 -1.409 1.00 0.00 C ATOM 1006 O HIS A 63 12.298 -10.395 -1.850 1.00 0.00 O ATOM 1007 CB HIS A 63 12.105 -7.525 -0.341 1.00 0.00 C ATOM 1008 CG HIS A 63 13.597 -7.432 -0.439 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.338 -8.422 -1.035 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.430 -6.455 -0.005 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.597 -8.032 -0.952 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.703 -6.845 -0.336 1.00 0.00 N ATOM 0 H HIS A 63 13.304 -9.128 1.119 1.00 0.00 H new ATOM 0 HA HIS A 63 10.628 -8.880 0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.666 -7.153 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.761 -6.871 0.461 1.00 0.00 H new ATOM 0 HD1 HIS A 63 13.988 -9.283 -1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.146 -5.545 0.503 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.435 -8.597 -1.332 1.00 0.00 H new ATOM 1020 N GLN A 64 10.256 -9.464 -2.041 1.00 0.00 N ATOM 1021 CA GLN A 64 9.967 -10.114 -3.314 1.00 0.00 C ATOM 1022 C GLN A 64 9.120 -9.228 -4.227 1.00 0.00 C ATOM 1023 O GLN A 64 9.449 -9.037 -5.398 1.00 0.00 O ATOM 1024 CB GLN A 64 9.242 -11.444 -3.081 1.00 0.00 C ATOM 1025 CG GLN A 64 9.564 -12.094 -1.745 1.00 0.00 C ATOM 1026 CD GLN A 64 10.408 -13.346 -1.898 1.00 0.00 C ATOM 1027 OE1 GLN A 64 10.635 -13.823 -3.011 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.878 -13.888 -0.781 1.00 0.00 N ATOM 0 H GLN A 64 9.510 -8.861 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 64 10.922 -10.296 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.167 -11.276 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.504 -12.135 -3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.091 -11.379 -1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.635 -12.346 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.667 -13.461 0.121 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.450 -14.731 -0.825 1.00 0.00 H new ATOM 1037 N GLU A 65 8.018 -8.709 -3.691 1.00 0.00 N ATOM 1038 CA GLU A 65 7.109 -7.865 -4.464 1.00 0.00 C ATOM 1039 C GLU A 65 7.347 -6.382 -4.197 1.00 0.00 C ATOM 1040 O GLU A 65 7.194 -5.914 -3.076 1.00 0.00 O ATOM 1041 CB GLU A 65 5.661 -8.221 -4.127 1.00 0.00 C ATOM 1042 CG GLU A 65 4.744 -8.275 -5.338 1.00 0.00 C ATOM 1043 CD GLU A 65 4.044 -9.614 -5.480 1.00 0.00 C ATOM 1044 OE1 GLU A 65 3.754 -10.246 -4.443 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.787 -10.029 -6.630 1.00 0.00 O ATOM 0 H GLU A 65 7.732 -8.858 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 65 7.302 -8.050 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.642 -9.188 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.272 -7.488 -3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.997 -7.485 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.325 -8.075 -6.238 1.00 0.00 H new ATOM 1052 N VAL A 66 7.709 -5.642 -5.237 1.00 0.00 N ATOM 1053 CA VAL A 66 7.951 -4.210 -5.099 1.00 0.00 C ATOM 1054 C VAL A 66 7.276 -3.426 -6.222 1.00 0.00 C ATOM 1055 O VAL A 66 7.571 -3.627 -7.401 1.00 0.00 O ATOM 1056 CB VAL A 66 9.462 -3.900 -5.079 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.201 -4.809 -6.046 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.722 -2.434 -5.396 1.00 0.00 C ATOM 0 H VAL A 66 7.841 -6.006 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 66 7.519 -3.899 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 66 9.839 -4.092 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.266 -4.578 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.048 -5.849 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.820 -4.653 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.795 -2.242 -5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.331 -2.201 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.227 -1.808 -4.654 1.00 0.00 H new ATOM 1068 N THR A 67 6.369 -2.529 -5.844 1.00 0.00 N ATOM 1069 CA THR A 67 5.649 -1.709 -6.813 1.00 0.00 C ATOM 1070 C THR A 67 5.552 -0.262 -6.339 1.00 0.00 C ATOM 1071 O THR A 67 5.253 0.000 -5.175 1.00 0.00 O ATOM 1072 CB THR A 67 4.231 -2.253 -7.064 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.295 -3.634 -7.440 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.528 -1.458 -8.153 1.00 0.00 C ATOM 0 H THR A 67 6.115 -2.352 -4.872 1.00 0.00 H new ATOM 0 HA THR A 67 6.213 -1.747 -7.745 1.00 0.00 H new ATOM 0 HB THR A 67 3.661 -2.154 -6.140 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.389 -3.973 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.528 -1.863 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.453 -0.414 -7.850 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.098 -1.527 -9.080 1.00 0.00 H new ATOM 1082 N ARG A 68 5.808 0.673 -7.249 1.00 0.00 N ATOM 1083 CA ARG A 68 5.749 2.094 -6.918 1.00 0.00 C ATOM 1084 C ARG A 68 4.531 2.759 -7.553 1.00 0.00 C ATOM 1085 O ARG A 68 4.160 2.450 -8.686 1.00 0.00 O ATOM 1086 CB ARG A 68 7.024 2.803 -7.383 1.00 0.00 C ATOM 1087 CG ARG A 68 8.279 1.955 -7.256 1.00 0.00 C ATOM 1088 CD ARG A 68 9.382 2.454 -8.176 1.00 0.00 C ATOM 1089 NE ARG A 68 9.829 3.796 -7.814 1.00 0.00 N ATOM 1090 CZ ARG A 68 9.615 4.874 -8.563 1.00 0.00 C ATOM 1091 NH1 ARG A 68 8.959 4.769 -9.712 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.055 6.059 -8.164 1.00 0.00 N ATOM 0 H ARG A 68 6.057 0.474 -8.218 1.00 0.00 H new ATOM 0 HA ARG A 68 5.663 2.179 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.903 3.102 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.153 3.716 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.629 1.972 -6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.045 0.918 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.227 1.767 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.023 2.457 -9.205 1.00 0.00 H new ATOM 0 HE ARG A 68 10.335 3.914 -6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.617 3.860 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.797 5.598 -10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.559 6.145 -7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.890 6.885 -8.740 1.00 0.00 H new ATOM 1106 N PHE A 69 3.918 3.679 -6.814 1.00 0.00 N ATOM 1107 CA PHE A 69 2.745 4.400 -7.297 1.00 0.00 C ATOM 1108 C PHE A 69 2.668 5.782 -6.665 1.00 0.00 C ATOM 1109 O PHE A 69 2.686 5.917 -5.444 1.00 0.00 O ATOM 1110 CB PHE A 69 1.468 3.613 -6.984 1.00 0.00 C ATOM 1111 CG PHE A 69 1.511 2.891 -5.666 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.989 1.593 -5.588 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.072 3.510 -4.507 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.029 0.927 -4.378 1.00 0.00 C ATOM 1115 CE2 PHE A 69 1.109 2.849 -3.293 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.589 1.555 -3.229 1.00 0.00 C ATOM 0 H PHE A 69 4.216 3.943 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 69 2.836 4.513 -8.377 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.620 4.298 -6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.294 2.889 -7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.334 1.096 -6.483 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.696 4.521 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.404 -0.085 -4.331 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.763 3.343 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.620 1.036 -2.283 1.00 0.00 H new ATOM 1126 N ASP A 70 2.575 6.808 -7.503 1.00 0.00 N ATOM 1127 CA ASP A 70 2.490 8.178 -7.015 1.00 0.00 C ATOM 1128 C ASP A 70 1.043 8.649 -7.005 1.00 0.00 C ATOM 1129 O ASP A 70 0.354 8.601 -8.025 1.00 0.00 O ATOM 1130 CB ASP A 70 3.346 9.116 -7.870 1.00 0.00 C ATOM 1131 CG ASP A 70 4.060 8.389 -8.993 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.406 8.080 -10.010 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.274 8.130 -8.855 1.00 0.00 O ATOM 0 H ASP A 70 2.557 6.717 -8.519 1.00 0.00 H new ATOM 0 HA ASP A 70 2.873 8.199 -5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.713 9.897 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.082 9.610 -7.236 1.00 0.00 H new ATOM 1138 N PHE A 71 0.589 9.095 -5.843 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.778 9.569 -5.683 1.00 0.00 C ATOM 1140 C PHE A 71 -0.802 10.851 -4.865 1.00 0.00 C ATOM 1141 O PHE A 71 0.120 11.118 -4.100 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.636 8.497 -5.007 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.041 7.946 -3.740 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.024 7.059 -3.786 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.551 8.311 -2.505 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.568 6.549 -2.623 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.010 7.803 -1.340 1.00 0.00 C ATOM 1148 CZ PHE A 71 0.051 6.921 -1.399 1.00 0.00 C ATOM 0 H PHE A 71 1.151 9.139 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.190 9.777 -6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.616 8.919 -4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.794 7.678 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.432 6.764 -4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.381 9.000 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.398 5.859 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.417 8.096 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.475 6.523 -0.489 1.00 0.00 H new ATOM 1158 N THR A 72 -1.851 11.648 -5.033 1.00 0.00 N ATOM 1159 CA THR A 72 -1.959 12.902 -4.301 1.00 0.00 C ATOM 1160 C THR A 72 -3.043 12.843 -3.232 1.00 0.00 C ATOM 1161 O THR A 72 -4.156 12.380 -3.480 1.00 0.00 O ATOM 1162 CB THR A 72 -2.247 14.081 -5.247 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.602 14.019 -5.708 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.299 14.064 -6.436 1.00 0.00 C ATOM 0 H THR A 72 -2.630 11.451 -5.662 1.00 0.00 H new ATOM 0 HA THR A 72 -0.996 13.058 -3.815 1.00 0.00 H new ATOM 0 HB THR A 72 -2.094 15.008 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.778 14.773 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.521 14.907 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.271 14.141 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.424 13.133 -6.988 1.00 0.00 H new ATOM 1172 N THR A 73 -2.688 13.330 -2.045 1.00 0.00 N ATOM 1173 CA THR A 73 -3.581 13.369 -0.889 1.00 0.00 C ATOM 1174 C THR A 73 -2.789 13.813 0.340 1.00 0.00 C ATOM 1175 O THR A 73 -2.495 14.991 0.494 1.00 0.00 O ATOM 1176 CB THR A 73 -4.240 12.001 -0.607 1.00 0.00 C ATOM 1177 OG1 THR A 73 -3.549 10.959 -1.308 1.00 0.00 O ATOM 1178 CG2 THR A 73 -5.707 12.008 -1.014 1.00 0.00 C ATOM 0 H THR A 73 -1.762 13.713 -1.857 1.00 0.00 H new ATOM 0 HA THR A 73 -4.380 14.076 -1.112 1.00 0.00 H new ATOM 0 HB THR A 73 -4.177 11.814 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.977 10.098 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.147 11.033 -0.805 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.238 12.774 -0.449 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.788 12.222 -2.080 1.00 0.00 H new ATOM 1186 N THR A 74 -2.401 12.844 1.177 1.00 0.00 N ATOM 1187 CA THR A 74 -1.591 13.084 2.384 1.00 0.00 C ATOM 1188 C THR A 74 -2.107 14.220 3.272 1.00 0.00 C ATOM 1189 O THR A 74 -2.543 15.267 2.798 1.00 0.00 O ATOM 1190 CB THR A 74 -0.117 13.357 2.030 1.00 0.00 C ATOM 1191 OG1 THR A 74 0.327 14.568 2.648 1.00 0.00 O ATOM 1192 CG2 THR A 74 0.079 13.433 0.522 1.00 0.00 C ATOM 0 H THR A 74 -2.641 11.862 1.037 1.00 0.00 H new ATOM 0 HA THR A 74 -1.677 12.161 2.957 1.00 0.00 H new ATOM 0 HB THR A 74 0.480 12.527 2.409 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.286 14.505 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.129 13.627 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.219 12.488 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.532 14.239 0.116 1.00 0.00 H new ATOM 1200 N SER A 75 -2.025 13.998 4.584 1.00 0.00 N ATOM 1201 CA SER A 75 -2.455 14.984 5.571 1.00 0.00 C ATOM 1202 C SER A 75 -2.158 14.494 6.984 1.00 0.00 C ATOM 1203 O SER A 75 -1.449 13.505 7.172 1.00 0.00 O ATOM 1204 CB SER A 75 -3.950 15.275 5.430 1.00 0.00 C ATOM 1205 OG SER A 75 -4.286 16.520 6.016 1.00 0.00 O ATOM 0 H SER A 75 -1.661 13.135 4.989 1.00 0.00 H new ATOM 0 HA SER A 75 -1.898 15.904 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.224 15.281 4.375 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.525 14.480 5.905 1.00 0.00 H new ATOM 0 HG SER A 75 -5.254 16.661 5.953 1.00 0.00 H new ATOM 1211 N THR A 76 -2.707 15.190 7.973 1.00 0.00 N ATOM 1212 CA THR A 76 -2.505 14.825 9.369 1.00 0.00 C ATOM 1213 C THR A 76 -3.828 14.457 10.031 1.00 0.00 C ATOM 1214 O THR A 76 -4.870 15.027 9.709 1.00 0.00 O ATOM 1215 CB THR A 76 -1.845 15.968 10.162 1.00 0.00 C ATOM 1216 OG1 THR A 76 -2.779 17.038 10.354 1.00 0.00 O ATOM 1217 CG2 THR A 76 -0.613 16.489 9.435 1.00 0.00 C ATOM 0 H THR A 76 -3.296 16.011 7.833 1.00 0.00 H new ATOM 0 HA THR A 76 -1.841 13.961 9.379 1.00 0.00 H new ATOM 0 HB THR A 76 -1.539 15.577 11.132 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.351 17.759 10.861 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.163 17.296 10.014 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.109 15.681 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.901 16.864 8.453 1.00 0.00 H new ATOM 1225 N SER A 77 -3.777 13.496 10.952 1.00 0.00 N ATOM 1226 CA SER A 77 -4.971 13.043 11.660 1.00 0.00 C ATOM 1227 C SER A 77 -5.986 12.438 10.692 1.00 0.00 C ATOM 1228 O SER A 77 -5.791 12.462 9.477 1.00 0.00 O ATOM 1229 CB SER A 77 -5.606 14.202 12.433 1.00 0.00 C ATOM 1230 OG SER A 77 -6.671 13.749 13.251 1.00 0.00 O ATOM 0 H SER A 77 -2.919 13.016 11.225 1.00 0.00 H new ATOM 0 HA SER A 77 -4.670 12.270 12.367 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.851 14.688 13.051 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.975 14.951 11.732 1.00 0.00 H new ATOM 0 HG SER A 77 -7.058 14.508 13.735 1.00 0.00 H new ATOM 1236 N THR A 78 -7.070 11.895 11.238 1.00 0.00 N ATOM 1237 CA THR A 78 -8.114 11.283 10.423 1.00 0.00 C ATOM 1238 C THR A 78 -9.497 11.523 11.025 1.00 0.00 C ATOM 1239 O THR A 78 -10.084 10.625 11.629 1.00 0.00 O ATOM 1240 CB THR A 78 -7.888 9.767 10.268 1.00 0.00 C ATOM 1241 OG1 THR A 78 -6.489 9.491 10.130 1.00 0.00 O ATOM 1242 CG2 THR A 78 -8.638 9.228 9.059 1.00 0.00 C ATOM 0 H THR A 78 -7.248 11.866 12.242 1.00 0.00 H new ATOM 0 HA THR A 78 -8.064 11.753 9.441 1.00 0.00 H new ATOM 0 HB THR A 78 -8.269 9.273 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.354 8.525 10.034 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.463 8.156 8.971 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.705 9.413 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.284 9.729 8.158 1.00 0.00 H new ATOM 1250 N PRO A 79 -10.039 12.745 10.867 1.00 0.00 N ATOM 1251 CA PRO A 79 -11.360 13.099 11.400 1.00 0.00 C ATOM 1252 C PRO A 79 -12.464 12.191 10.863 1.00 0.00 C ATOM 1253 O PRO A 79 -12.930 11.287 11.559 1.00 0.00 O ATOM 1254 CB PRO A 79 -11.572 14.541 10.922 1.00 0.00 C ATOM 1255 CG PRO A 79 -10.204 15.058 10.638 1.00 0.00 C ATOM 1256 CD PRO A 79 -9.409 13.876 10.163 1.00 0.00 C ATOM 0 HA PRO A 79 -11.401 12.989 12.484 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.199 14.573 10.031 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.070 15.140 11.684 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.232 15.841 9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.758 15.495 11.531 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.467 13.760 9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.353 13.972 10.417 1.00 0.00 H new ATOM 1264 N GLY A 80 -12.876 12.436 9.623 1.00 0.00 N ATOM 1265 CA GLY A 80 -13.922 11.632 9.015 1.00 0.00 C ATOM 1266 C GLY A 80 -14.349 12.166 7.661 1.00 0.00 C ATOM 1267 O GLY A 80 -13.726 13.082 7.123 1.00 0.00 O ATOM 0 H GLY A 80 -12.505 13.177 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.570 10.607 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.786 11.602 9.679 1.00 0.00 H new ATOM 1271 N SER A 81 -15.413 11.591 7.108 1.00 0.00 N ATOM 1272 CA SER A 81 -15.923 12.014 5.809 1.00 0.00 C ATOM 1273 C SER A 81 -17.446 12.095 5.822 1.00 0.00 C ATOM 1274 O SER A 81 -18.067 12.085 6.886 1.00 0.00 O ATOM 1275 CB SER A 81 -15.457 11.049 4.717 1.00 0.00 C ATOM 1276 OG SER A 81 -16.067 9.778 4.865 1.00 0.00 O ATOM 0 H SER A 81 -15.938 10.831 7.540 1.00 0.00 H new ATOM 0 HA SER A 81 -15.529 13.008 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.699 11.460 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.373 10.943 4.760 1.00 0.00 H new ATOM 0 HG SER A 81 -15.754 9.180 4.154 1.00 0.00 H new ATOM 1282 N ARG A 82 -18.043 12.177 4.636 1.00 0.00 N ATOM 1283 CA ARG A 82 -19.495 12.262 4.515 1.00 0.00 C ATOM 1284 C ARG A 82 -20.083 10.946 4.014 1.00 0.00 C ATOM 1285 O ARG A 82 -19.482 10.263 3.183 1.00 0.00 O ATOM 1286 CB ARG A 82 -19.882 13.399 3.567 1.00 0.00 C ATOM 1287 CG ARG A 82 -19.194 14.717 3.884 1.00 0.00 C ATOM 1288 CD ARG A 82 -18.950 15.533 2.625 1.00 0.00 C ATOM 1289 NE ARG A 82 -20.103 16.357 2.275 1.00 0.00 N ATOM 1290 CZ ARG A 82 -20.894 16.114 1.235 1.00 0.00 C ATOM 1291 NH1 ARG A 82 -20.654 15.079 0.442 1.00 0.00 N ATOM 1292 NH2 ARG A 82 -21.926 16.908 0.986 1.00 0.00 N ATOM 0 H ARG A 82 -17.544 12.186 3.746 1.00 0.00 H new ATOM 0 HA ARG A 82 -19.903 12.465 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -19.638 13.108 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -20.962 13.543 3.608 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -19.807 15.291 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.245 14.523 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.079 16.172 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.719 14.862 1.797 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.313 17.165 2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.860 14.466 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.263 14.895 -0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.113 17.706 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.533 16.721 0.188 1.00 0.00 H new ATOM 1306 N SER A 83 -21.261 10.598 4.526 1.00 0.00 N ATOM 1307 CA SER A 83 -21.940 9.366 4.136 1.00 0.00 C ATOM 1308 C SER A 83 -21.032 8.154 4.326 1.00 0.00 C ATOM 1309 O SER A 83 -20.971 7.270 3.471 1.00 0.00 O ATOM 1310 CB SER A 83 -22.402 9.452 2.679 1.00 0.00 C ATOM 1311 OG SER A 83 -22.974 10.718 2.400 1.00 0.00 O ATOM 0 H SER A 83 -21.767 11.155 5.215 1.00 0.00 H new ATOM 0 HA SER A 83 -22.811 9.244 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.556 9.277 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 83 -23.132 8.667 2.479 1.00 0.00 H new ATOM 0 HG SER A 83 -23.260 10.749 1.463 1.00 0.00 H new ATOM 1317 N HIS A 84 -20.328 8.121 5.453 1.00 0.00 N ATOM 1318 CA HIS A 84 -19.423 7.020 5.757 1.00 0.00 C ATOM 1319 C HIS A 84 -19.542 6.605 7.220 1.00 0.00 C ATOM 1320 O HIS A 84 -18.733 5.825 7.723 1.00 0.00 O ATOM 1321 CB HIS A 84 -17.980 7.417 5.443 1.00 0.00 C ATOM 1322 CG HIS A 84 -17.248 6.402 4.622 1.00 0.00 C ATOM 1323 ND1 HIS A 84 -16.243 5.636 5.159 1.00 0.00 N ATOM 1324 CD2 HIS A 84 -17.415 6.066 3.320 1.00 0.00 C ATOM 1325 CE1 HIS A 84 -15.823 4.853 4.182 1.00 0.00 C ATOM 1326 NE2 HIS A 84 -16.503 5.078 3.047 1.00 0.00 N ATOM 0 H HIS A 84 -20.367 8.845 6.171 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.703 6.171 5.134 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -17.980 8.370 4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.442 7.573 6.378 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.128 6.493 2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.033 4.124 4.283 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -16.368 4.605 2.153 1.00 0.00 H new ATOM 1334 N HIS A 85 -20.557 7.132 7.897 1.00 0.00 N ATOM 1335 CA HIS A 85 -20.786 6.820 9.303 1.00 0.00 C ATOM 1336 C HIS A 85 -21.975 5.876 9.464 1.00 0.00 C ATOM 1337 O HIS A 85 -22.367 5.188 8.521 1.00 0.00 O ATOM 1338 CB HIS A 85 -21.026 8.105 10.098 1.00 0.00 C ATOM 1339 CG HIS A 85 -21.862 9.114 9.372 1.00 0.00 C ATOM 1340 ND1 HIS A 85 -21.292 10.176 8.716 1.00 0.00 N ATOM 1341 CD2 HIS A 85 -23.208 9.174 9.229 1.00 0.00 C ATOM 1342 CE1 HIS A 85 -22.294 10.857 8.191 1.00 0.00 C ATOM 1343 NE2 HIS A 85 -23.477 10.289 8.474 1.00 0.00 N ATOM 0 H HIS A 85 -21.235 7.778 7.494 1.00 0.00 H new ATOM 0 HA HIS A 85 -19.897 6.323 9.690 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -21.513 7.853 11.040 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -20.064 8.554 10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -23.930 8.479 9.631 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -22.177 11.758 7.607 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -24.397 10.621 8.184 1.00 0.00 H new ATOM 1351 N HIS A 86 -22.544 5.848 10.667 1.00 0.00 N ATOM 1352 CA HIS A 86 -23.690 4.989 10.953 1.00 0.00 C ATOM 1353 C HIS A 86 -24.998 5.761 10.810 1.00 0.00 C ATOM 1354 O HIS A 86 -25.782 5.856 11.755 1.00 0.00 O ATOM 1355 CB HIS A 86 -23.581 4.399 12.363 1.00 0.00 C ATOM 1356 CG HIS A 86 -22.792 5.244 13.315 1.00 0.00 C ATOM 1357 ND1 HIS A 86 -21.621 4.790 13.873 1.00 0.00 N ATOM 1358 CD2 HIS A 86 -23.042 6.497 13.769 1.00 0.00 C ATOM 1359 CE1 HIS A 86 -21.186 5.768 14.648 1.00 0.00 C ATOM 1360 NE2 HIS A 86 -22.014 6.823 14.617 1.00 0.00 N ATOM 0 H HIS A 86 -22.230 6.410 11.459 1.00 0.00 H new ATOM 0 HA HIS A 86 -23.688 4.174 10.229 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -24.584 4.256 12.765 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -23.120 3.413 12.299 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -23.887 7.118 13.513 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -20.279 5.724 15.232 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -21.901 7.700 15.126 1.00 0.00 H new ATOM 1368 N HIS A 87 -25.227 6.310 9.619 1.00 0.00 N ATOM 1369 CA HIS A 87 -26.440 7.075 9.342 1.00 0.00 C ATOM 1370 C HIS A 87 -26.607 8.222 10.335 1.00 0.00 C ATOM 1371 O HIS A 87 -25.675 8.564 11.064 1.00 0.00 O ATOM 1372 CB HIS A 87 -27.667 6.162 9.384 1.00 0.00 C ATOM 1373 CG HIS A 87 -28.465 6.171 8.117 1.00 0.00 C ATOM 1374 ND1 HIS A 87 -29.050 7.321 7.647 1.00 0.00 N ATOM 1375 CD2 HIS A 87 -28.742 5.153 7.266 1.00 0.00 C ATOM 1376 CE1 HIS A 87 -29.668 6.982 6.530 1.00 0.00 C ATOM 1377 NE2 HIS A 87 -29.510 5.679 6.257 1.00 0.00 N ATOM 0 H HIS A 87 -24.586 6.239 8.829 1.00 0.00 H new ATOM 0 HA HIS A 87 -26.347 7.500 8.343 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -27.344 5.142 9.593 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -28.309 6.468 10.210 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -28.421 4.126 7.363 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -30.230 7.668 5.914 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -29.888 5.176 5.454 1.00 0.00 H new ATOM 1385 N HIS A 88 -27.797 8.813 10.357 1.00 0.00 N ATOM 1386 CA HIS A 88 -28.081 9.923 11.260 1.00 0.00 C ATOM 1387 C HIS A 88 -29.528 9.883 11.741 1.00 0.00 C ATOM 1388 O HIS A 88 -30.380 9.238 11.127 1.00 0.00 O ATOM 1389 CB HIS A 88 -27.804 11.256 10.561 1.00 0.00 C ATOM 1390 CG HIS A 88 -26.895 12.158 11.336 1.00 0.00 C ATOM 1391 ND1 HIS A 88 -25.607 11.790 11.639 1.00 0.00 N ATOM 1392 CD2 HIS A 88 -27.133 13.392 11.841 1.00 0.00 C ATOM 1393 CE1 HIS A 88 -25.092 12.800 12.317 1.00 0.00 C ATOM 1394 NE2 HIS A 88 -25.980 13.795 12.465 1.00 0.00 N ATOM 0 H HIS A 88 -28.579 8.543 9.761 1.00 0.00 H new ATOM 0 HA HIS A 88 -27.428 9.827 12.127 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -27.362 11.060 9.584 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -28.750 11.769 10.386 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -28.054 13.951 11.767 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -24.084 12.822 12.703 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -25.827 14.680 12.948 1.00 0.00 H new ATOM 1402 N HIS A 89 -29.798 10.575 12.843 1.00 0.00 N ATOM 1403 CA HIS A 89 -31.140 10.620 13.409 1.00 0.00 C ATOM 1404 C HIS A 89 -32.001 11.655 12.691 1.00 0.00 C ATOM 1405 O HIS A 89 -31.600 12.837 12.660 1.00 0.00 O ATOM 1406 CB HIS A 89 -31.073 10.942 14.903 1.00 0.00 C ATOM 1407 CG HIS A 89 -31.434 9.784 15.780 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -30.469 9.020 16.390 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -32.656 9.301 16.110 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -31.118 8.096 17.074 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -32.447 8.226 16.936 1.00 0.00 N ATOM 1412 OXT HIS A 89 -33.068 11.273 12.167 1.00 0.00 O ATOM 0 H HIS A 89 -29.104 11.113 13.362 1.00 0.00 H new ATOM 0 HA HIS A 89 -31.598 9.640 13.275 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -30.065 11.274 15.150 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -31.744 11.773 15.118 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -33.611 9.688 15.785 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -30.640 7.332 17.669 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -33.163 7.639 17.363 1.00 0.00 H new TER 1420 HIS A 89