USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 764 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 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 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0.884 K(o=0.88,f=-7.8!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot -136:sc= 0.616 USER MOD Single : A 18 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.26) USER MOD Single : A 19 GLN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.6! C(o=-1.6!,f=-7!) USER MOD Single : A 25 THR OG1 : rot -66:sc= 0.555 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 1.43 (180deg=0.597!) USER MOD Single : A 34 LYS NZ :NH3+ 140:sc= -0.288 (180deg=-1.52) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 1 (180deg=0.703) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.446 K(o=0.45,f=-0.73) USER MOD Single : A 51 LYS NZ :NH3+ -163:sc= -0.111 (180deg=-0.578) USER MOD Single : A 54 SER OG : rot -175:sc= -1.3 USER MOD Single : A 58 GLN : amide:sc= 0.2 K(o=0.2,f=-3.8!) USER MOD Single : A 60 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.12) USER MOD Single : A 61 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.1) USER MOD Single : A 65 THR OG1 : rot -72:sc= 1.12 USER MOD Single : A 66 SER OG : rot 180:sc= -0.091 USER MOD Single : A 67 CYS SG : rot -51:sc= -1.23! USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 1.32 (180deg=1.16) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.842 K(o=-0.84,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc=-0.00554 X(o=-0.0055,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 91 HIS : no HD1:sc= -0.753 X(o=-0.75,f=-0.33) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.005 30.305 -19.284 1.00 0.00 N ATOM 2 CA MET A 1 5.778 29.285 -18.237 1.00 0.00 C ATOM 3 C MET A 1 5.518 27.920 -18.866 1.00 0.00 C ATOM 4 O MET A 1 4.649 27.782 -19.731 1.00 0.00 O ATOM 5 CB MET A 1 4.591 29.681 -17.353 1.00 0.00 C ATOM 6 CG MET A 1 4.206 28.607 -16.347 1.00 0.00 C ATOM 7 SD MET A 1 2.776 29.056 -15.346 1.00 0.00 S ATOM 8 CE MET A 1 2.562 27.558 -14.380 1.00 0.00 C ATOM 0 H1 MET A 1 6.180 31.228 -18.837 1.00 0.00 H new ATOM 0 H2 MET A 1 6.829 30.036 -19.858 1.00 0.00 H new ATOM 0 H3 MET A 1 5.165 30.370 -19.894 1.00 0.00 H new ATOM 0 HA MET A 1 6.675 29.225 -17.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.835 30.599 -16.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.732 29.900 -17.987 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.993 27.679 -16.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.054 28.411 -15.691 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.712 27.677 -13.708 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.381 26.717 -15.049 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.463 27.370 -13.796 1.00 0.00 H new ATOM 20 N PRO A 2 6.280 26.894 -18.454 1.00 0.00 N ATOM 21 CA PRO A 2 6.067 25.520 -18.913 1.00 0.00 C ATOM 22 C PRO A 2 4.747 24.959 -18.394 1.00 0.00 C ATOM 23 O PRO A 2 4.365 25.205 -17.247 1.00 0.00 O ATOM 24 CB PRO A 2 7.255 24.743 -18.324 1.00 0.00 C ATOM 25 CG PRO A 2 8.232 25.782 -17.886 1.00 0.00 C ATOM 26 CD PRO A 2 7.413 26.987 -17.525 1.00 0.00 C ATOM 0 HA PRO A 2 6.011 25.452 -19.999 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.941 24.121 -17.486 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.696 24.078 -19.066 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.815 25.436 -17.033 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.939 26.014 -18.682 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.088 26.959 -16.485 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.973 27.913 -17.660 1.00 0.00 H new ATOM 34 N ASP A 3 4.052 24.221 -19.241 1.00 0.00 N ATOM 35 CA ASP A 3 2.767 23.643 -18.876 1.00 0.00 C ATOM 36 C ASP A 3 2.963 22.393 -18.021 1.00 0.00 C ATOM 37 O ASP A 3 4.074 21.865 -17.946 1.00 0.00 O ATOM 38 CB ASP A 3 1.951 23.314 -20.132 1.00 0.00 C ATOM 39 CG ASP A 3 1.338 24.547 -20.763 1.00 0.00 C ATOM 40 OD1 ASP A 3 0.333 25.059 -20.228 1.00 0.00 O ATOM 41 OD2 ASP A 3 1.849 25.004 -21.807 1.00 0.00 O ATOM 0 H ASP A 3 4.356 24.006 -20.191 1.00 0.00 H new ATOM 0 HA ASP A 3 2.215 24.376 -18.288 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.594 22.818 -20.860 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.160 22.610 -19.874 1.00 0.00 H new ATOM 46 N PRO A 4 1.889 21.915 -17.355 1.00 0.00 N ATOM 47 CA PRO A 4 1.933 20.718 -16.506 1.00 0.00 C ATOM 48 C PRO A 4 2.578 19.510 -17.185 1.00 0.00 C ATOM 49 O PRO A 4 2.707 19.450 -18.410 1.00 0.00 O ATOM 50 CB PRO A 4 0.461 20.436 -16.214 1.00 0.00 C ATOM 51 CG PRO A 4 -0.199 21.765 -16.298 1.00 0.00 C ATOM 52 CD PRO A 4 0.543 22.528 -17.358 1.00 0.00 C ATOM 0 HA PRO A 4 2.543 20.888 -15.619 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.040 19.738 -16.937 1.00 0.00 H new ATOM 0 HB3 PRO A 4 0.331 19.990 -15.228 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.253 21.662 -16.557 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.155 22.284 -15.340 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.062 22.432 -18.331 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.587 23.593 -17.128 1.00 0.00 H new ATOM 60 N LEU A 5 2.946 18.530 -16.372 1.00 0.00 N ATOM 61 CA LEU A 5 3.700 17.363 -16.829 1.00 0.00 C ATOM 62 C LEU A 5 2.824 16.346 -17.563 1.00 0.00 C ATOM 63 O LEU A 5 3.198 15.175 -17.667 1.00 0.00 O ATOM 64 CB LEU A 5 4.353 16.668 -15.630 1.00 0.00 C ATOM 65 CG LEU A 5 3.374 16.119 -14.586 1.00 0.00 C ATOM 66 CD1 LEU A 5 3.995 14.948 -13.849 1.00 0.00 C ATOM 67 CD2 LEU A 5 2.966 17.204 -13.598 1.00 0.00 C ATOM 0 H LEU A 5 2.732 18.518 -15.375 1.00 0.00 H new ATOM 0 HA LEU A 5 4.452 17.727 -17.528 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.968 15.846 -15.997 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.024 17.374 -15.141 1.00 0.00 H new ATOM 0 HG LEU A 5 2.479 15.777 -15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.289 14.567 -13.110 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.238 14.158 -14.560 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.905 15.276 -13.346 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.271 16.789 -12.868 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.851 17.580 -13.084 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.483 18.021 -14.134 1.00 0.00 H new ATOM 79 N MET A 6 1.667 16.795 -18.058 1.00 0.00 N ATOM 80 CA MET A 6 0.697 15.941 -18.758 1.00 0.00 C ATOM 81 C MET A 6 -0.059 15.061 -17.765 1.00 0.00 C ATOM 82 O MET A 6 -1.277 14.902 -17.855 1.00 0.00 O ATOM 83 CB MET A 6 1.380 15.088 -19.835 1.00 0.00 C ATOM 84 CG MET A 6 0.445 14.120 -20.540 1.00 0.00 C ATOM 85 SD MET A 6 1.312 13.041 -21.697 1.00 0.00 S ATOM 86 CE MET A 6 -0.024 11.968 -22.224 1.00 0.00 C ATOM 0 H MET A 6 1.373 17.769 -17.985 1.00 0.00 H new ATOM 0 HA MET A 6 -0.022 16.590 -19.258 1.00 0.00 H new ATOM 0 HB2 MET A 6 1.829 15.749 -20.577 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.192 14.524 -19.377 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.070 13.511 -19.797 1.00 0.00 H new ATOM 0 HG3 MET A 6 -0.319 14.683 -21.076 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.355 11.242 -22.944 1.00 0.00 H new ATOM 0 HE2 MET A 6 -0.432 11.443 -21.360 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.808 12.565 -22.689 1.00 0.00 H new ATOM 96 N TYR A 7 0.672 14.500 -16.817 1.00 0.00 N ATOM 97 CA TYR A 7 0.080 13.750 -15.729 1.00 0.00 C ATOM 98 C TYR A 7 -0.208 14.698 -14.570 1.00 0.00 C ATOM 99 O TYR A 7 -0.573 15.857 -14.784 1.00 0.00 O ATOM 100 CB TYR A 7 1.031 12.632 -15.282 1.00 0.00 C ATOM 101 CG TYR A 7 1.383 11.647 -16.374 1.00 0.00 C ATOM 102 CD1 TYR A 7 2.471 11.869 -17.210 1.00 0.00 C ATOM 103 CD2 TYR A 7 0.634 10.494 -16.561 1.00 0.00 C ATOM 104 CE1 TYR A 7 2.800 10.968 -18.203 1.00 0.00 C ATOM 105 CE2 TYR A 7 0.958 9.590 -17.551 1.00 0.00 C ATOM 106 CZ TYR A 7 2.041 9.831 -18.369 1.00 0.00 C ATOM 107 OH TYR A 7 2.371 8.930 -19.353 1.00 0.00 O ATOM 0 H TYR A 7 1.690 14.553 -16.782 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.852 13.294 -16.062 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.949 13.081 -14.903 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.574 12.091 -14.453 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.068 12.760 -17.081 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.215 10.302 -15.922 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.648 11.154 -18.846 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.366 8.697 -17.685 1.00 0.00 H new ATOM 0 HH TYR A 7 1.738 8.182 -19.338 1.00 0.00 H new ATOM 117 N GLN A 8 -0.026 14.212 -13.355 1.00 0.00 N ATOM 118 CA GLN A 8 -0.276 14.998 -12.157 1.00 0.00 C ATOM 119 C GLN A 8 0.290 14.262 -10.953 1.00 0.00 C ATOM 120 O GLN A 8 1.037 14.823 -10.147 1.00 0.00 O ATOM 121 CB GLN A 8 -1.777 15.238 -11.987 1.00 0.00 C ATOM 122 CG GLN A 8 -2.137 16.028 -10.743 1.00 0.00 C ATOM 123 CD GLN A 8 -3.597 16.416 -10.713 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.972 17.490 -11.185 1.00 0.00 O ATOM 125 NE2 GLN A 8 -4.434 15.541 -10.185 1.00 0.00 N ATOM 0 H GLN A 8 0.299 13.263 -13.170 1.00 0.00 H new ATOM 0 HA GLN A 8 0.213 15.968 -12.246 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.152 15.768 -12.863 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.287 14.275 -11.954 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.902 15.436 -9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.523 16.928 -10.696 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.081 14.663 -9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.433 15.744 -10.157 1.00 0.00 H new ATOM 134 N GLN A 9 -0.072 12.996 -10.848 1.00 0.00 N ATOM 135 CA GLN A 9 0.499 12.119 -9.849 1.00 0.00 C ATOM 136 C GLN A 9 1.930 11.776 -10.235 1.00 0.00 C ATOM 137 O GLN A 9 2.269 11.725 -11.422 1.00 0.00 O ATOM 138 CB GLN A 9 -0.334 10.836 -9.696 1.00 0.00 C ATOM 139 CG GLN A 9 -0.402 9.963 -10.951 1.00 0.00 C ATOM 140 CD GLN A 9 -1.502 10.369 -11.923 1.00 0.00 C ATOM 141 OE1 GLN A 9 -1.890 11.532 -12.001 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.011 9.409 -12.679 1.00 0.00 N ATOM 0 H GLN A 9 -0.766 12.552 -11.450 1.00 0.00 H new ATOM 0 HA GLN A 9 0.494 12.635 -8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.082 10.244 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.348 11.110 -9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.558 10.006 -11.465 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.558 8.926 -10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.667 8.453 -12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.747 9.625 -13.351 1.00 0.00 H new ATOM 151 N ASP A 10 2.765 11.562 -9.238 1.00 0.00 N ATOM 152 CA ASP A 10 4.164 11.237 -9.465 1.00 0.00 C ATOM 153 C ASP A 10 4.308 9.756 -9.789 1.00 0.00 C ATOM 154 O ASP A 10 3.312 9.034 -9.887 1.00 0.00 O ATOM 155 CB ASP A 10 5.004 11.597 -8.234 1.00 0.00 C ATOM 156 CG ASP A 10 4.992 13.087 -7.936 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.971 13.588 -7.408 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.996 13.769 -8.228 1.00 0.00 O ATOM 0 H ASP A 10 2.499 11.607 -8.254 1.00 0.00 H new ATOM 0 HA ASP A 10 4.527 11.820 -10.311 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.625 11.054 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.032 11.270 -8.391 1.00 0.00 H new ATOM 163 N ASN A 11 5.540 9.302 -9.968 1.00 0.00 N ATOM 164 CA ASN A 11 5.787 7.902 -10.273 1.00 0.00 C ATOM 165 C ASN A 11 6.688 7.269 -9.220 1.00 0.00 C ATOM 166 O ASN A 11 7.695 7.847 -8.803 1.00 0.00 O ATOM 167 CB ASN A 11 6.377 7.737 -11.682 1.00 0.00 C ATOM 168 CG ASN A 11 7.706 8.442 -11.879 1.00 0.00 C ATOM 169 OD1 ASN A 11 7.747 9.637 -12.170 1.00 0.00 O ATOM 170 ND2 ASN A 11 8.800 7.701 -11.757 1.00 0.00 N ATOM 0 H ASN A 11 6.379 9.879 -9.908 1.00 0.00 H new ATOM 0 HA ASN A 11 4.831 7.380 -10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.506 6.675 -11.889 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.663 8.119 -12.411 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.718 8.119 -11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.723 6.713 -11.514 1.00 0.00 H new ATOM 177 N PHE A 12 6.296 6.088 -8.783 1.00 0.00 N ATOM 178 CA PHE A 12 7.017 5.360 -7.756 1.00 0.00 C ATOM 179 C PHE A 12 7.710 4.157 -8.365 1.00 0.00 C ATOM 180 O PHE A 12 7.133 3.468 -9.206 1.00 0.00 O ATOM 181 CB PHE A 12 6.059 4.878 -6.658 1.00 0.00 C ATOM 182 CG PHE A 12 5.411 5.977 -5.856 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.529 6.869 -6.448 1.00 0.00 C ATOM 184 CD2 PHE A 12 5.682 6.110 -4.503 1.00 0.00 C ATOM 185 CE1 PHE A 12 3.935 7.873 -5.708 1.00 0.00 C ATOM 186 CE2 PHE A 12 5.087 7.111 -3.757 1.00 0.00 C ATOM 187 CZ PHE A 12 4.214 7.994 -4.361 1.00 0.00 C ATOM 0 H PHE A 12 5.467 5.605 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 12 7.754 6.033 -7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.277 4.274 -7.118 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.607 4.226 -5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.304 6.777 -7.500 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.366 5.424 -4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.253 8.563 -6.183 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.305 7.202 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.750 8.778 -3.781 1.00 0.00 H new ATOM 197 N VAL A 13 8.940 3.905 -7.955 1.00 0.00 N ATOM 198 CA VAL A 13 9.618 2.690 -8.359 1.00 0.00 C ATOM 199 C VAL A 13 9.318 1.594 -7.345 1.00 0.00 C ATOM 200 O VAL A 13 9.886 1.554 -6.252 1.00 0.00 O ATOM 201 CB VAL A 13 11.145 2.891 -8.528 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.436 3.676 -9.798 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.745 3.605 -7.328 1.00 0.00 C ATOM 0 H VAL A 13 9.484 4.519 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 13 9.242 2.398 -9.340 1.00 0.00 H new ATOM 0 HB VAL A 13 11.605 1.905 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.512 3.810 -9.904 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.051 3.130 -10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.953 4.651 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.817 3.730 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.277 4.583 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.571 3.014 -6.429 1.00 0.00 H new ATOM 213 N VAL A 14 8.382 0.734 -7.699 1.00 0.00 N ATOM 214 CA VAL A 14 7.901 -0.286 -6.788 1.00 0.00 C ATOM 215 C VAL A 14 8.679 -1.579 -6.970 1.00 0.00 C ATOM 216 O VAL A 14 8.613 -2.226 -8.019 1.00 0.00 O ATOM 217 CB VAL A 14 6.390 -0.542 -6.976 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.912 -1.663 -6.068 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.601 0.731 -6.706 1.00 0.00 C ATOM 0 H VAL A 14 7.938 0.722 -8.617 1.00 0.00 H new ATOM 0 HA VAL A 14 8.058 0.079 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 14 6.222 -0.847 -8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.845 -1.824 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.454 -2.579 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.094 -1.392 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.537 0.536 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.781 1.061 -5.683 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.919 1.510 -7.399 1.00 0.00 H new ATOM 229 N LEU A 15 9.420 -1.936 -5.938 1.00 0.00 N ATOM 230 CA LEU A 15 10.205 -3.150 -5.937 1.00 0.00 C ATOM 231 C LEU A 15 9.442 -4.241 -5.209 1.00 0.00 C ATOM 232 O LEU A 15 9.224 -4.162 -3.998 1.00 0.00 O ATOM 233 CB LEU A 15 11.556 -2.908 -5.259 1.00 0.00 C ATOM 234 CG LEU A 15 12.381 -1.759 -5.842 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.663 -1.570 -5.046 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.697 -2.022 -7.305 1.00 0.00 C ATOM 0 H LEU A 15 9.493 -1.391 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 15 10.387 -3.461 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.383 -2.710 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.144 -3.824 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 15 11.795 -0.843 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.239 -0.749 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.417 -1.340 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.253 -2.486 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.284 -1.195 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.266 -2.948 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.768 -2.112 -7.867 1.00 0.00 H new ATOM 248 N GLU A 16 8.994 -5.229 -5.957 1.00 0.00 N ATOM 249 CA GLU A 16 8.277 -6.352 -5.385 1.00 0.00 C ATOM 250 C GLU A 16 9.073 -7.630 -5.608 1.00 0.00 C ATOM 251 O GLU A 16 9.866 -7.714 -6.547 1.00 0.00 O ATOM 252 CB GLU A 16 6.892 -6.476 -6.025 1.00 0.00 C ATOM 253 CG GLU A 16 5.970 -7.448 -5.304 1.00 0.00 C ATOM 254 CD GLU A 16 4.688 -7.715 -6.063 1.00 0.00 C ATOM 255 OE1 GLU A 16 3.883 -6.779 -6.236 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.476 -8.871 -6.487 1.00 0.00 O ATOM 0 H GLU A 16 9.115 -5.277 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 16 8.151 -6.189 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.423 -5.493 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.007 -6.798 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.495 -8.390 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.727 -7.048 -4.319 1.00 0.00 H new ATOM 263 N THR A 17 8.852 -8.617 -4.754 1.00 0.00 N ATOM 264 CA THR A 17 9.519 -9.907 -4.870 1.00 0.00 C ATOM 265 C THR A 17 9.313 -10.528 -6.257 1.00 0.00 C ATOM 266 O THR A 17 10.177 -11.243 -6.764 1.00 0.00 O ATOM 267 CB THR A 17 8.992 -10.871 -3.793 1.00 0.00 C ATOM 268 OG1 THR A 17 9.056 -10.234 -2.513 1.00 0.00 O ATOM 269 CG2 THR A 17 9.791 -12.165 -3.754 1.00 0.00 C ATOM 0 H THR A 17 8.209 -8.549 -3.965 1.00 0.00 H new ATOM 0 HA THR A 17 10.587 -9.740 -4.727 1.00 0.00 H new ATOM 0 HB THR A 17 7.961 -11.121 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.410 -10.864 -1.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.388 -12.819 -2.981 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.724 -12.663 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.835 -11.942 -3.532 1.00 0.00 H new ATOM 277 N ASN A 18 8.171 -10.241 -6.876 1.00 0.00 N ATOM 278 CA ASN A 18 7.857 -10.814 -8.182 1.00 0.00 C ATOM 279 C ASN A 18 7.911 -9.747 -9.275 1.00 0.00 C ATOM 280 O ASN A 18 7.629 -10.019 -10.441 1.00 0.00 O ATOM 281 CB ASN A 18 6.470 -11.473 -8.148 1.00 0.00 C ATOM 282 CG ASN A 18 6.257 -12.453 -9.290 1.00 0.00 C ATOM 283 OD1 ASN A 18 5.754 -12.097 -10.355 1.00 0.00 O ATOM 284 ND2 ASN A 18 6.632 -13.702 -9.067 1.00 0.00 N ATOM 0 H ASN A 18 7.454 -9.621 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 18 8.605 -11.572 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.343 -11.994 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.704 -10.699 -8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.508 -14.409 -9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.045 -13.958 -8.170 1.00 0.00 H new ATOM 291 N GLN A 19 8.299 -8.531 -8.908 1.00 0.00 N ATOM 292 CA GLN A 19 8.302 -7.425 -9.858 1.00 0.00 C ATOM 293 C GLN A 19 9.310 -6.343 -9.466 1.00 0.00 C ATOM 294 O GLN A 19 8.964 -5.372 -8.792 1.00 0.00 O ATOM 295 CB GLN A 19 6.908 -6.809 -9.958 1.00 0.00 C ATOM 296 CG GLN A 19 6.808 -5.709 -10.997 1.00 0.00 C ATOM 297 CD GLN A 19 5.676 -4.757 -10.705 1.00 0.00 C ATOM 298 OE1 GLN A 19 4.549 -4.950 -11.157 1.00 0.00 O ATOM 299 NE2 GLN A 19 5.969 -3.724 -9.931 1.00 0.00 N ATOM 0 H GLN A 19 8.613 -8.287 -7.969 1.00 0.00 H new ATOM 0 HA GLN A 19 8.596 -7.830 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.189 -7.592 -10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.626 -6.406 -8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.747 -5.156 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.663 -6.153 -11.982 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.919 -3.604 -9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.245 -3.048 -9.687 1.00 0.00 H new ATOM 308 N PRO A 20 10.582 -6.524 -9.832 1.00 0.00 N ATOM 309 CA PRO A 20 11.611 -5.509 -9.637 1.00 0.00 C ATOM 310 C PRO A 20 11.692 -4.529 -10.809 1.00 0.00 C ATOM 311 O PRO A 20 11.149 -4.794 -11.885 1.00 0.00 O ATOM 312 CB PRO A 20 12.882 -6.345 -9.547 1.00 0.00 C ATOM 313 CG PRO A 20 12.629 -7.517 -10.439 1.00 0.00 C ATOM 314 CD PRO A 20 11.134 -7.742 -10.458 1.00 0.00 C ATOM 0 HA PRO A 20 11.423 -4.883 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.753 -5.778 -9.876 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.076 -6.662 -8.522 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.003 -7.324 -11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.148 -8.402 -10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.763 -7.872 -11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.858 -8.637 -9.901 1.00 0.00 H new ATOM 322 N GLU A 21 12.352 -3.393 -10.582 1.00 0.00 N ATOM 323 CA GLU A 21 12.744 -2.474 -11.659 1.00 0.00 C ATOM 324 C GLU A 21 11.533 -1.861 -12.381 1.00 0.00 C ATOM 325 O GLU A 21 11.648 -1.372 -13.506 1.00 0.00 O ATOM 326 CB GLU A 21 13.629 -3.228 -12.657 1.00 0.00 C ATOM 327 CG GLU A 21 14.431 -2.336 -13.589 1.00 0.00 C ATOM 328 CD GLU A 21 15.455 -1.492 -12.859 1.00 0.00 C ATOM 329 OE1 GLU A 21 16.233 -2.056 -12.058 1.00 0.00 O ATOM 330 OE2 GLU A 21 15.498 -0.267 -13.096 1.00 0.00 O ATOM 0 H GLU A 21 12.631 -3.082 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 21 13.294 -1.646 -11.212 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.318 -3.865 -12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.999 -3.885 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.938 -2.955 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.750 -1.682 -14.134 1.00 0.00 H new ATOM 337 N GLN A 22 10.378 -1.854 -11.735 1.00 0.00 N ATOM 338 CA GLN A 22 9.176 -1.333 -12.370 1.00 0.00 C ATOM 339 C GLN A 22 8.685 -0.071 -11.673 1.00 0.00 C ATOM 340 O GLN A 22 8.620 -0.008 -10.446 1.00 0.00 O ATOM 341 CB GLN A 22 8.073 -2.397 -12.393 1.00 0.00 C ATOM 342 CG GLN A 22 6.759 -1.923 -13.009 1.00 0.00 C ATOM 343 CD GLN A 22 6.883 -1.508 -14.469 1.00 0.00 C ATOM 344 OE1 GLN A 22 7.925 -1.029 -14.915 1.00 0.00 O ATOM 345 NE2 GLN A 22 5.809 -1.687 -15.223 1.00 0.00 N ATOM 0 H GLN A 22 10.246 -2.198 -10.784 1.00 0.00 H new ATOM 0 HA GLN A 22 9.429 -1.072 -13.398 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.431 -3.263 -12.950 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.884 -2.730 -11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.021 -2.721 -12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.380 -1.080 -12.431 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.963 -2.087 -14.818 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.828 -1.425 -16.209 1.00 0.00 H new ATOM 354 N PHE A 23 8.347 0.935 -12.469 1.00 0.00 N ATOM 355 CA PHE A 23 7.812 2.183 -11.948 1.00 0.00 C ATOM 356 C PHE A 23 6.362 2.355 -12.392 1.00 0.00 C ATOM 357 O PHE A 23 5.991 1.966 -13.502 1.00 0.00 O ATOM 358 CB PHE A 23 8.662 3.380 -12.409 1.00 0.00 C ATOM 359 CG PHE A 23 8.634 3.635 -13.894 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.425 2.893 -14.758 1.00 0.00 C ATOM 361 CD2 PHE A 23 7.818 4.624 -14.423 1.00 0.00 C ATOM 362 CE1 PHE A 23 9.402 3.132 -16.119 1.00 0.00 C ATOM 363 CE2 PHE A 23 7.790 4.868 -15.784 1.00 0.00 C ATOM 364 CZ PHE A 23 8.583 4.121 -16.632 1.00 0.00 C ATOM 0 H PHE A 23 8.435 0.909 -13.485 1.00 0.00 H new ATOM 0 HA PHE A 23 7.846 2.146 -10.859 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.315 4.275 -11.893 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.695 3.215 -12.101 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.067 2.119 -14.363 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.196 5.211 -13.763 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.023 2.547 -16.781 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.149 5.641 -16.182 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.564 4.309 -17.695 1.00 0.00 H new ATOM 374 N LEU A 24 5.547 2.912 -11.514 1.00 0.00 N ATOM 375 CA LEU A 24 4.144 3.165 -11.806 1.00 0.00 C ATOM 376 C LEU A 24 3.687 4.430 -11.094 1.00 0.00 C ATOM 377 O LEU A 24 4.320 4.865 -10.134 1.00 0.00 O ATOM 378 CB LEU A 24 3.258 1.974 -11.401 1.00 0.00 C ATOM 379 CG LEU A 24 3.474 1.415 -9.990 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.216 0.714 -9.502 1.00 0.00 C ATOM 381 CD2 LEU A 24 4.641 0.438 -9.972 1.00 0.00 C ATOM 0 H LEU A 24 5.837 3.202 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 24 4.042 3.300 -12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.215 2.277 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.420 1.168 -12.117 1.00 0.00 H new ATOM 0 HG LEU A 24 3.702 2.249 -9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.384 0.322 -8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.389 1.424 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.972 -0.107 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.778 0.053 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.433 -0.389 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.549 0.950 -10.291 1.00 0.00 H new ATOM 393 N THR A 25 2.601 5.020 -11.563 1.00 0.00 N ATOM 394 CA THR A 25 2.128 6.280 -11.009 1.00 0.00 C ATOM 395 C THR A 25 1.421 6.076 -9.668 1.00 0.00 C ATOM 396 O THR A 25 1.023 4.959 -9.327 1.00 0.00 O ATOM 397 CB THR A 25 1.182 7.003 -11.989 1.00 0.00 C ATOM 398 OG1 THR A 25 0.132 6.122 -12.409 1.00 0.00 O ATOM 399 CG2 THR A 25 1.944 7.509 -13.204 1.00 0.00 C ATOM 0 H THR A 25 2.031 4.650 -12.323 1.00 0.00 H new ATOM 0 HA THR A 25 3.008 6.902 -10.845 1.00 0.00 H new ATOM 0 HB THR A 25 0.747 7.857 -11.470 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.512 5.388 -12.936 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.255 8.015 -13.880 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.717 8.207 -12.884 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.406 6.667 -13.720 1.00 0.00 H new ATOM 407 N THR A 26 1.280 7.166 -8.916 1.00 0.00 N ATOM 408 CA THR A 26 0.633 7.149 -7.606 1.00 0.00 C ATOM 409 C THR A 26 -0.737 6.465 -7.646 1.00 0.00 C ATOM 410 O THR A 26 -1.075 5.693 -6.751 1.00 0.00 O ATOM 411 CB THR A 26 0.463 8.586 -7.083 1.00 0.00 C ATOM 412 OG1 THR A 26 1.666 9.324 -7.324 1.00 0.00 O ATOM 413 CG2 THR A 26 0.145 8.591 -5.596 1.00 0.00 C ATOM 0 H THR A 26 1.612 8.088 -9.199 1.00 0.00 H new ATOM 0 HA THR A 26 1.277 6.577 -6.938 1.00 0.00 H new ATOM 0 HB THR A 26 -0.369 9.052 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.560 10.240 -6.993 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.030 9.619 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.781 8.044 -5.420 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.958 8.114 -5.048 1.00 0.00 H new ATOM 421 N ILE A 27 -1.513 6.739 -8.693 1.00 0.00 N ATOM 422 CA ILE A 27 -2.850 6.164 -8.824 1.00 0.00 C ATOM 423 C ILE A 27 -2.771 4.646 -8.968 1.00 0.00 C ATOM 424 O ILE A 27 -3.523 3.913 -8.326 1.00 0.00 O ATOM 425 CB ILE A 27 -3.614 6.762 -10.029 1.00 0.00 C ATOM 426 CG1 ILE A 27 -3.743 8.283 -9.880 1.00 0.00 C ATOM 427 CG2 ILE A 27 -4.992 6.121 -10.166 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.493 8.716 -8.636 1.00 0.00 C ATOM 0 H ILE A 27 -1.240 7.353 -9.460 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.398 6.412 -7.915 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.046 6.549 -10.934 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.746 8.723 -9.863 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.252 8.682 -10.757 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.512 6.556 -11.019 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.880 5.047 -10.318 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.569 6.301 -9.259 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.543 9.804 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.503 8.307 -8.659 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.973 8.348 -7.751 1.00 0.00 H new ATOM 440 N GLU A 28 -1.836 4.184 -9.790 1.00 0.00 N ATOM 441 CA GLU A 28 -1.633 2.756 -9.996 1.00 0.00 C ATOM 442 C GLU A 28 -1.194 2.087 -8.699 1.00 0.00 C ATOM 443 O GLU A 28 -1.680 1.012 -8.346 1.00 0.00 O ATOM 444 CB GLU A 28 -0.588 2.521 -11.087 1.00 0.00 C ATOM 445 CG GLU A 28 -0.973 3.118 -12.429 1.00 0.00 C ATOM 446 CD GLU A 28 0.099 2.949 -13.479 1.00 0.00 C ATOM 447 OE1 GLU A 28 1.006 3.811 -13.553 1.00 0.00 O ATOM 448 OE2 GLU A 28 0.028 1.974 -14.254 1.00 0.00 O ATOM 0 H GLU A 28 -1.205 4.780 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.579 2.316 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.363 2.948 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.432 1.449 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.893 2.650 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.184 4.180 -12.301 1.00 0.00 H new ATOM 455 N LEU A 29 -0.281 2.741 -7.990 1.00 0.00 N ATOM 456 CA LEU A 29 0.203 2.241 -6.711 1.00 0.00 C ATOM 457 C LEU A 29 -0.924 2.201 -5.685 1.00 0.00 C ATOM 458 O LEU A 29 -1.022 1.264 -4.895 1.00 0.00 O ATOM 459 CB LEU A 29 1.344 3.118 -6.195 1.00 0.00 C ATOM 460 CG LEU A 29 1.904 2.720 -4.828 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.543 1.341 -4.884 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.903 3.754 -4.345 1.00 0.00 C ATOM 0 H LEU A 29 0.140 3.623 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 29 0.573 1.227 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.155 3.096 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.993 4.148 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 29 1.078 2.679 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.934 1.081 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.796 0.606 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.358 1.347 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.292 3.457 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.725 3.827 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.411 4.723 -4.259 1.00 0.00 H new ATOM 474 N LEU A 30 -1.777 3.217 -5.714 1.00 0.00 N ATOM 475 CA LEU A 30 -2.901 3.311 -4.792 1.00 0.00 C ATOM 476 C LEU A 30 -3.811 2.094 -4.920 1.00 0.00 C ATOM 477 O LEU A 30 -4.144 1.448 -3.926 1.00 0.00 O ATOM 478 CB LEU A 30 -3.698 4.590 -5.069 1.00 0.00 C ATOM 479 CG LEU A 30 -3.872 5.525 -3.871 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.615 6.783 -4.287 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.609 4.825 -2.742 1.00 0.00 C ATOM 0 H LEU A 30 -1.710 3.993 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.510 3.343 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.203 5.140 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.685 4.311 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.882 5.806 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.731 7.439 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.049 7.300 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.598 6.514 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.721 5.509 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.594 4.513 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.042 3.950 -2.425 1.00 0.00 H new ATOM 493 N GLU A 31 -4.189 1.773 -6.151 1.00 0.00 N ATOM 494 CA GLU A 31 -5.086 0.655 -6.407 1.00 0.00 C ATOM 495 C GLU A 31 -4.380 -0.675 -6.150 1.00 0.00 C ATOM 496 O GLU A 31 -5.001 -1.644 -5.707 1.00 0.00 O ATOM 497 CB GLU A 31 -5.609 0.722 -7.842 1.00 0.00 C ATOM 498 CG GLU A 31 -6.280 2.046 -8.170 1.00 0.00 C ATOM 499 CD GLU A 31 -6.815 2.099 -9.585 1.00 0.00 C ATOM 500 OE1 GLU A 31 -6.013 1.990 -10.534 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.043 2.245 -9.757 1.00 0.00 O ATOM 0 H GLU A 31 -3.888 2.272 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.932 0.723 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.781 0.560 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.320 -0.088 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.099 2.216 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.565 2.856 -8.027 1.00 0.00 H new ATOM 508 N LYS A 32 -3.079 -0.708 -6.423 1.00 0.00 N ATOM 509 CA LYS A 32 -2.269 -1.892 -6.159 1.00 0.00 C ATOM 510 C LYS A 32 -2.226 -2.168 -4.660 1.00 0.00 C ATOM 511 O LYS A 32 -2.549 -3.270 -4.212 1.00 0.00 O ATOM 512 CB LYS A 32 -0.848 -1.699 -6.699 1.00 0.00 C ATOM 513 CG LYS A 32 0.023 -2.942 -6.596 1.00 0.00 C ATOM 514 CD LYS A 32 1.442 -2.673 -7.074 1.00 0.00 C ATOM 515 CE LYS A 32 2.270 -3.951 -7.132 1.00 0.00 C ATOM 516 NZ LYS A 32 2.520 -4.527 -5.781 1.00 0.00 N ATOM 0 H LYS A 32 -2.563 0.073 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.720 -2.745 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.905 -1.392 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.370 -0.885 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.046 -3.286 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.415 -3.744 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.412 -2.214 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.922 -1.959 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.754 -4.687 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.223 -3.741 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.708 -5.546 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.343 -4.058 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.684 -4.379 -5.180 1.00 0.00 H new ATOM 530 N LEU A 33 -1.859 -1.142 -3.896 1.00 0.00 N ATOM 531 CA LEU A 33 -1.777 -1.242 -2.446 1.00 0.00 C ATOM 532 C LEU A 33 -3.099 -1.691 -1.850 1.00 0.00 C ATOM 533 O LEU A 33 -3.120 -2.555 -0.983 1.00 0.00 O ATOM 534 CB LEU A 33 -1.368 0.099 -1.827 1.00 0.00 C ATOM 535 CG LEU A 33 0.113 0.456 -1.949 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.362 1.863 -1.432 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.959 -0.542 -1.177 1.00 0.00 C ATOM 0 H LEU A 33 -1.612 -0.224 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.016 -1.988 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.954 0.889 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.635 0.088 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 33 0.394 0.416 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.421 2.103 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.224 2.574 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.067 1.923 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.012 -0.277 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.674 -0.524 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.799 -1.542 -1.579 1.00 0.00 H new ATOM 549 N LYS A 34 -4.201 -1.109 -2.322 1.00 0.00 N ATOM 550 CA LYS A 34 -5.518 -1.450 -1.795 1.00 0.00 C ATOM 551 C LYS A 34 -5.782 -2.948 -1.890 1.00 0.00 C ATOM 552 O LYS A 34 -6.156 -3.574 -0.904 1.00 0.00 O ATOM 553 CB LYS A 34 -6.632 -0.686 -2.516 1.00 0.00 C ATOM 554 CG LYS A 34 -6.640 0.804 -2.233 1.00 0.00 C ATOM 555 CD LYS A 34 -8.000 1.441 -2.514 1.00 0.00 C ATOM 556 CE LYS A 34 -8.417 1.353 -3.979 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.001 0.029 -4.339 1.00 0.00 N ATOM 0 H LYS A 34 -4.207 -0.406 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.520 -1.156 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.529 -0.841 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.595 -1.106 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.370 0.975 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.880 1.291 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.756 0.953 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.972 2.488 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.146 2.135 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.550 1.545 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.809 0.168 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.280 -0.551 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.322 -0.455 -3.476 1.00 0.00 H new ATOM 571 N GLY A 35 -5.557 -3.520 -3.068 1.00 0.00 N ATOM 572 CA GLY A 35 -5.832 -4.933 -3.273 1.00 0.00 C ATOM 573 C GLY A 35 -4.972 -5.824 -2.401 1.00 0.00 C ATOM 574 O GLY A 35 -5.461 -6.780 -1.790 1.00 0.00 O ATOM 0 H GLY A 35 -5.189 -3.032 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.883 -5.129 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.664 -5.184 -4.320 1.00 0.00 H new ATOM 578 N GLU A 36 -3.691 -5.500 -2.324 1.00 0.00 N ATOM 579 CA GLU A 36 -2.754 -6.285 -1.537 1.00 0.00 C ATOM 580 C GLU A 36 -3.004 -6.086 -0.046 1.00 0.00 C ATOM 581 O GLU A 36 -2.834 -7.007 0.747 1.00 0.00 O ATOM 582 CB GLU A 36 -1.320 -5.914 -1.906 1.00 0.00 C ATOM 583 CG GLU A 36 -0.999 -6.192 -3.366 1.00 0.00 C ATOM 584 CD GLU A 36 0.405 -5.779 -3.758 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.633 -4.577 -3.986 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.275 -6.661 -3.874 1.00 0.00 O ATOM 0 H GLU A 36 -3.276 -4.698 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.905 -7.341 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.158 -4.857 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.630 -6.473 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.126 -7.257 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.715 -5.664 -3.996 1.00 0.00 H new ATOM 593 N LEU A 37 -3.433 -4.890 0.322 1.00 0.00 N ATOM 594 CA LEU A 37 -3.737 -4.568 1.710 1.00 0.00 C ATOM 595 C LEU A 37 -5.029 -5.248 2.158 1.00 0.00 C ATOM 596 O LEU A 37 -5.097 -5.800 3.254 1.00 0.00 O ATOM 597 CB LEU A 37 -3.850 -3.049 1.877 1.00 0.00 C ATOM 598 CG LEU A 37 -4.172 -2.550 3.288 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.075 -2.942 4.266 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.357 -1.042 3.273 1.00 0.00 C ATOM 0 H LEU A 37 -3.580 -4.118 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.926 -4.939 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.910 -2.598 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.623 -2.686 1.200 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.099 -3.018 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.327 -2.576 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.981 -4.028 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.129 -2.504 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.586 -0.693 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.440 -0.566 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.178 -0.783 2.604 1.00 0.00 H new ATOM 612 N GLU A 38 -6.047 -5.228 1.300 1.00 0.00 N ATOM 613 CA GLU A 38 -7.343 -5.800 1.654 1.00 0.00 C ATOM 614 C GLU A 38 -7.286 -7.325 1.702 1.00 0.00 C ATOM 615 O GLU A 38 -8.144 -7.963 2.316 1.00 0.00 O ATOM 616 CB GLU A 38 -8.439 -5.354 0.679 1.00 0.00 C ATOM 617 CG GLU A 38 -8.240 -5.853 -0.742 1.00 0.00 C ATOM 618 CD GLU A 38 -9.466 -5.661 -1.603 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.349 -6.540 -1.573 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.552 -4.637 -2.317 1.00 0.00 O ATOM 0 H GLU A 38 -6.000 -4.826 0.364 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.590 -5.429 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.403 -5.707 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.481 -4.265 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.398 -5.328 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.980 -6.911 -0.718 1.00 0.00 H new ATOM 627 N LYS A 39 -6.293 -7.917 1.040 1.00 0.00 N ATOM 628 CA LYS A 39 -6.110 -9.364 1.108 1.00 0.00 C ATOM 629 C LYS A 39 -5.189 -9.731 2.274 1.00 0.00 C ATOM 630 O LYS A 39 -4.837 -10.898 2.462 1.00 0.00 O ATOM 631 CB LYS A 39 -5.571 -9.922 -0.216 1.00 0.00 C ATOM 632 CG LYS A 39 -4.125 -9.566 -0.510 1.00 0.00 C ATOM 633 CD LYS A 39 -3.708 -10.045 -1.892 1.00 0.00 C ATOM 634 CE LYS A 39 -2.212 -9.899 -2.104 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.443 -10.838 -1.246 1.00 0.00 N ATOM 0 H LYS A 39 -5.613 -7.426 0.460 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.084 -9.820 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.669 -11.008 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.195 -9.554 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.993 -8.486 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.477 -10.014 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.994 -11.089 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.242 -9.474 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.973 -10.083 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.911 -8.875 -1.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.754 -10.304 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.095 -11.344 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.940 -11.523 -1.845 1.00 0.00 H new ATOM 649 N ILE A 40 -4.789 -8.724 3.043 1.00 0.00 N ATOM 650 CA ILE A 40 -4.084 -8.941 4.296 1.00 0.00 C ATOM 651 C ILE A 40 -5.104 -8.972 5.435 1.00 0.00 C ATOM 652 O ILE A 40 -6.133 -8.294 5.376 1.00 0.00 O ATOM 653 CB ILE A 40 -2.996 -7.848 4.550 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.591 -8.405 4.287 1.00 0.00 C ATOM 655 CG2 ILE A 40 -3.069 -7.266 5.956 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.283 -8.653 2.827 1.00 0.00 C ATOM 0 H ILE A 40 -4.944 -7.742 2.815 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.559 -9.895 4.244 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.200 -7.039 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.855 -7.708 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.475 -9.340 4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.291 -6.512 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.046 -6.808 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.922 -8.061 6.687 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.271 -9.046 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.993 -9.375 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.363 -7.717 2.274 1.00 0.00 H new ATOM 668 N SER A 41 -4.847 -9.792 6.440 1.00 0.00 N ATOM 669 CA SER A 41 -5.741 -9.890 7.581 1.00 0.00 C ATOM 670 C SER A 41 -5.706 -8.599 8.395 1.00 0.00 C ATOM 671 O SER A 41 -4.637 -8.032 8.629 1.00 0.00 O ATOM 672 CB SER A 41 -5.348 -11.085 8.446 1.00 0.00 C ATOM 673 OG SER A 41 -5.310 -12.275 7.672 1.00 0.00 O ATOM 0 H SER A 41 -4.028 -10.398 6.489 1.00 0.00 H new ATOM 0 HA SER A 41 -6.760 -10.038 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.372 -10.908 8.898 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.061 -11.199 9.263 1.00 0.00 H new ATOM 0 HG SER A 41 -5.055 -13.029 8.244 1.00 0.00 H new ATOM 679 N PHE A 42 -6.881 -8.143 8.821 1.00 0.00 N ATOM 680 CA PHE A 42 -7.002 -6.890 9.567 1.00 0.00 C ATOM 681 C PHE A 42 -6.161 -6.916 10.841 1.00 0.00 C ATOM 682 O PHE A 42 -5.712 -5.877 11.318 1.00 0.00 O ATOM 683 CB PHE A 42 -8.467 -6.608 9.917 1.00 0.00 C ATOM 684 CG PHE A 42 -9.340 -6.360 8.719 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.443 -5.090 8.174 1.00 0.00 C ATOM 686 CD2 PHE A 42 -10.057 -7.394 8.139 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.243 -4.855 7.072 1.00 0.00 C ATOM 688 CE2 PHE A 42 -10.859 -7.167 7.037 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.953 -5.896 6.503 1.00 0.00 C ATOM 0 H PHE A 42 -7.767 -8.623 8.662 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.628 -6.091 8.926 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.866 -7.454 10.477 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.513 -5.740 10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.891 -4.274 8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.988 -8.389 8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.313 -3.861 6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.412 -7.982 6.594 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.580 -5.716 5.642 1.00 0.00 H new ATOM 699 N SER A 43 -5.947 -8.111 11.374 1.00 0.00 N ATOM 700 CA SER A 43 -5.153 -8.294 12.579 1.00 0.00 C ATOM 701 C SER A 43 -3.682 -7.950 12.331 1.00 0.00 C ATOM 702 O SER A 43 -2.965 -7.539 13.247 1.00 0.00 O ATOM 703 CB SER A 43 -5.277 -9.747 13.045 1.00 0.00 C ATOM 704 OG SER A 43 -6.633 -10.167 13.033 1.00 0.00 O ATOM 0 H SER A 43 -6.318 -8.978 10.984 1.00 0.00 H new ATOM 0 HA SER A 43 -5.528 -7.621 13.350 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.686 -10.393 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.870 -9.847 14.051 1.00 0.00 H new ATOM 0 HG SER A 43 -6.690 -11.098 13.332 1.00 0.00 H new ATOM 710 N ASP A 44 -3.241 -8.105 11.087 1.00 0.00 N ATOM 711 CA ASP A 44 -1.837 -7.916 10.741 1.00 0.00 C ATOM 712 C ASP A 44 -1.525 -6.463 10.421 1.00 0.00 C ATOM 713 O ASP A 44 -0.432 -5.979 10.723 1.00 0.00 O ATOM 714 CB ASP A 44 -1.450 -8.793 9.546 1.00 0.00 C ATOM 715 CG ASP A 44 -1.385 -10.264 9.895 1.00 0.00 C ATOM 716 OD1 ASP A 44 -2.433 -10.938 9.856 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.281 -10.758 10.210 1.00 0.00 O ATOM 0 H ASP A 44 -3.837 -8.362 10.300 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.253 -8.210 11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.173 -8.646 8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.481 -8.472 9.164 1.00 0.00 H new ATOM 722 N LEU A 45 -2.475 -5.769 9.809 1.00 0.00 N ATOM 723 CA LEU A 45 -2.255 -4.389 9.393 1.00 0.00 C ATOM 724 C LEU A 45 -2.327 -3.432 10.589 1.00 0.00 C ATOM 725 O LEU A 45 -2.993 -3.724 11.588 1.00 0.00 O ATOM 726 CB LEU A 45 -3.241 -3.994 8.275 1.00 0.00 C ATOM 727 CG LEU A 45 -4.730 -4.236 8.550 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.326 -3.088 9.346 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.489 -4.424 7.245 1.00 0.00 C ATOM 0 H LEU A 45 -3.401 -6.136 9.590 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.248 -4.309 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.103 -2.935 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.969 -4.541 7.373 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.822 -5.147 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.383 -3.282 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.804 -2.996 10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.220 -2.161 8.783 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.544 -4.595 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.383 -3.530 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.084 -5.282 6.709 1.00 0.00 H new ATOM 741 N PRO A 46 -1.594 -2.301 10.514 1.00 0.00 N ATOM 742 CA PRO A 46 -1.523 -1.292 11.588 1.00 0.00 C ATOM 743 C PRO A 46 -2.879 -0.915 12.185 1.00 0.00 C ATOM 744 O PRO A 46 -3.902 -0.904 11.498 1.00 0.00 O ATOM 745 CB PRO A 46 -0.907 -0.087 10.884 1.00 0.00 C ATOM 746 CG PRO A 46 -0.032 -0.682 9.842 1.00 0.00 C ATOM 747 CD PRO A 46 -0.742 -1.922 9.369 1.00 0.00 C ATOM 0 HA PRO A 46 -0.956 -1.668 12.440 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.673 0.552 10.444 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.337 0.531 11.578 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.126 0.016 9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.950 -0.925 10.248 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.336 -1.726 8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.037 -2.714 9.116 1.00 0.00 H new ATOM 755 N LEU A 47 -2.857 -0.572 13.469 1.00 0.00 N ATOM 756 CA LEU A 47 -4.064 -0.255 14.222 1.00 0.00 C ATOM 757 C LEU A 47 -4.785 0.959 13.640 1.00 0.00 C ATOM 758 O LEU A 47 -6.016 0.995 13.590 1.00 0.00 O ATOM 759 CB LEU A 47 -3.714 0.000 15.692 1.00 0.00 C ATOM 760 CG LEU A 47 -4.911 0.175 16.632 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.695 -1.122 16.749 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.450 0.644 18.003 1.00 0.00 C ATOM 0 H LEU A 47 -1.999 -0.506 14.017 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.736 -1.110 14.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.109 -0.831 16.053 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.094 0.895 15.750 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.568 0.936 16.210 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.541 -0.977 17.421 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.060 -1.417 15.765 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.047 -1.904 17.145 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.314 0.763 18.657 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.770 -0.093 18.430 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.934 1.599 17.906 1.00 0.00 H new ATOM 774 N GLU A 48 -4.026 1.952 13.192 1.00 0.00 N ATOM 775 CA GLU A 48 -4.624 3.153 12.628 1.00 0.00 C ATOM 776 C GLU A 48 -5.354 2.830 11.324 1.00 0.00 C ATOM 777 O GLU A 48 -6.358 3.463 10.992 1.00 0.00 O ATOM 778 CB GLU A 48 -3.564 4.232 12.403 1.00 0.00 C ATOM 779 CG GLU A 48 -4.130 5.530 11.855 1.00 0.00 C ATOM 780 CD GLU A 48 -3.105 6.641 11.807 1.00 0.00 C ATOM 781 OE1 GLU A 48 -1.958 6.378 11.400 1.00 0.00 O ATOM 782 OE2 GLU A 48 -3.439 7.783 12.179 1.00 0.00 O ATOM 0 H GLU A 48 -3.006 1.949 13.208 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.353 3.538 13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.057 4.435 13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.811 3.852 11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.519 5.357 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.971 5.844 12.473 1.00 0.00 H new ATOM 789 N LEU A 49 -4.872 1.822 10.601 1.00 0.00 N ATOM 790 CA LEU A 49 -5.534 1.391 9.377 1.00 0.00 C ATOM 791 C LEU A 49 -6.815 0.644 9.723 1.00 0.00 C ATOM 792 O LEU A 49 -7.773 0.649 8.958 1.00 0.00 O ATOM 793 CB LEU A 49 -4.617 0.503 8.531 1.00 0.00 C ATOM 794 CG LEU A 49 -3.293 1.141 8.096 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.588 0.254 7.083 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.525 2.530 7.519 1.00 0.00 C ATOM 0 H LEU A 49 -4.033 1.294 10.840 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.776 2.276 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.395 -0.402 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.162 0.195 7.638 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.656 1.242 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.649 0.719 6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.384 -0.719 7.531 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.225 0.124 6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.571 2.963 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.182 2.459 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.989 3.165 8.274 1.00 0.00 H new ATOM 808 N GLN A 50 -6.827 0.017 10.897 1.00 0.00 N ATOM 809 CA GLN A 50 -8.025 -0.648 11.397 1.00 0.00 C ATOM 810 C GLN A 50 -9.099 0.382 11.716 1.00 0.00 C ATOM 811 O GLN A 50 -10.293 0.096 11.639 1.00 0.00 O ATOM 812 CB GLN A 50 -7.707 -1.470 12.647 1.00 0.00 C ATOM 813 CG GLN A 50 -6.750 -2.619 12.392 1.00 0.00 C ATOM 814 CD GLN A 50 -6.370 -3.361 13.656 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.145 -3.428 14.611 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.176 -3.928 13.668 1.00 0.00 N ATOM 0 H GLN A 50 -6.021 -0.044 11.519 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.391 -1.322 10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.279 -0.813 13.404 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.636 -1.866 13.057 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.207 -3.317 11.690 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.847 -2.235 11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.565 -3.848 12.855 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.865 -4.446 14.490 1.00 0.00 H new ATOM 825 N LYS A 51 -8.663 1.581 12.078 1.00 0.00 N ATOM 826 CA LYS A 51 -9.580 2.674 12.365 1.00 0.00 C ATOM 827 C LYS A 51 -10.128 3.266 11.073 1.00 0.00 C ATOM 828 O LYS A 51 -11.271 3.728 11.019 1.00 0.00 O ATOM 829 CB LYS A 51 -8.874 3.755 13.178 1.00 0.00 C ATOM 830 CG LYS A 51 -8.346 3.253 14.511 1.00 0.00 C ATOM 831 CD LYS A 51 -7.617 4.344 15.274 1.00 0.00 C ATOM 832 CE LYS A 51 -7.230 3.877 16.667 1.00 0.00 C ATOM 833 NZ LYS A 51 -8.422 3.502 17.471 1.00 0.00 N ATOM 0 H LYS A 51 -7.677 1.821 12.180 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.413 2.281 12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.046 4.156 12.594 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.567 4.578 13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.174 2.880 15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.671 2.414 14.342 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.723 4.639 14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.252 5.227 15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.559 3.022 16.591 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.681 4.669 17.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.165 3.468 18.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.172 4.208 17.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.764 2.567 17.169 1.00 0.00 H new ATOM 847 N LEU A 52 -9.303 3.249 10.034 1.00 0.00 N ATOM 848 CA LEU A 52 -9.690 3.771 8.732 1.00 0.00 C ATOM 849 C LEU A 52 -10.627 2.802 8.023 1.00 0.00 C ATOM 850 O LEU A 52 -10.222 1.722 7.595 1.00 0.00 O ATOM 851 CB LEU A 52 -8.449 4.034 7.877 1.00 0.00 C ATOM 852 CG LEU A 52 -7.501 5.100 8.427 1.00 0.00 C ATOM 853 CD1 LEU A 52 -6.219 5.149 7.614 1.00 0.00 C ATOM 854 CD2 LEU A 52 -8.183 6.459 8.432 1.00 0.00 C ATOM 0 H LEU A 52 -8.354 2.876 10.070 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.219 4.713 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.897 3.100 7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.770 4.334 6.880 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.243 4.837 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.558 5.914 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.723 4.180 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.455 5.389 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.497 7.209 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.468 6.727 7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.074 6.417 9.059 1.00 0.00 H new ATOM 866 N ASP A 53 -11.884 3.190 7.912 1.00 0.00 N ATOM 867 CA ASP A 53 -12.896 2.362 7.275 1.00 0.00 C ATOM 868 C ASP A 53 -12.752 2.399 5.757 1.00 0.00 C ATOM 869 O ASP A 53 -13.230 1.505 5.056 1.00 0.00 O ATOM 870 CB ASP A 53 -14.296 2.828 7.686 1.00 0.00 C ATOM 871 CG ASP A 53 -14.549 4.288 7.364 1.00 0.00 C ATOM 872 OD1 ASP A 53 -14.017 5.164 8.081 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.289 4.575 6.402 1.00 0.00 O ATOM 0 H ASP A 53 -12.233 4.084 8.259 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.754 1.333 7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.041 2.215 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.427 2.669 8.756 1.00 0.00 H new ATOM 878 N SER A 54 -12.085 3.426 5.257 1.00 0.00 N ATOM 879 CA SER A 54 -11.877 3.579 3.828 1.00 0.00 C ATOM 880 C SER A 54 -10.569 2.909 3.410 1.00 0.00 C ATOM 881 O SER A 54 -9.510 3.195 3.971 1.00 0.00 O ATOM 882 CB SER A 54 -11.851 5.065 3.463 1.00 0.00 C ATOM 883 OG SER A 54 -11.830 5.256 2.064 1.00 0.00 O ATOM 0 H SER A 54 -11.677 4.169 5.824 1.00 0.00 H new ATOM 0 HA SER A 54 -12.698 3.098 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.726 5.559 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.974 5.534 3.908 1.00 0.00 H new ATOM 0 HG SER A 54 -11.735 6.211 1.866 1.00 0.00 H new ATOM 889 N LEU A 55 -10.650 2.011 2.433 1.00 0.00 N ATOM 890 CA LEU A 55 -9.471 1.306 1.935 1.00 0.00 C ATOM 891 C LEU A 55 -8.466 2.271 1.285 1.00 0.00 C ATOM 892 O LEU A 55 -7.269 2.198 1.578 1.00 0.00 O ATOM 893 CB LEU A 55 -9.868 0.206 0.941 1.00 0.00 C ATOM 894 CG LEU A 55 -8.760 -0.797 0.612 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.243 -1.462 1.878 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.268 -1.842 -0.366 1.00 0.00 C ATOM 0 H LEU A 55 -11.521 1.753 1.969 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.986 0.843 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.722 -0.338 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.199 0.676 0.015 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.934 -0.257 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.456 -2.171 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.842 -0.703 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.059 -1.989 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.469 -2.549 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.110 -2.375 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.590 -1.354 -1.286 1.00 0.00 H new ATOM 908 N PRO A 56 -8.915 3.183 0.388 1.00 0.00 N ATOM 909 CA PRO A 56 -8.028 4.180 -0.224 1.00 0.00 C ATOM 910 C PRO A 56 -7.309 5.031 0.816 1.00 0.00 C ATOM 911 O PRO A 56 -6.157 5.412 0.623 1.00 0.00 O ATOM 912 CB PRO A 56 -8.971 5.050 -1.068 1.00 0.00 C ATOM 913 CG PRO A 56 -10.337 4.747 -0.557 1.00 0.00 C ATOM 914 CD PRO A 56 -10.291 3.317 -0.121 1.00 0.00 C ATOM 0 HA PRO A 56 -7.237 3.708 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.735 6.108 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.884 4.812 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.600 5.402 0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.089 4.897 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.031 3.104 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.486 2.634 -0.948 1.00 0.00 H new ATOM 922 N ALA A 57 -7.986 5.306 1.926 1.00 0.00 N ATOM 923 CA ALA A 57 -7.404 6.105 2.996 1.00 0.00 C ATOM 924 C ALA A 57 -6.222 5.380 3.628 1.00 0.00 C ATOM 925 O ALA A 57 -5.203 5.993 3.951 1.00 0.00 O ATOM 926 CB ALA A 57 -8.451 6.430 4.048 1.00 0.00 C ATOM 0 H ALA A 57 -8.938 4.987 2.107 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.043 7.039 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.998 7.027 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.265 6.992 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.842 5.504 4.470 1.00 0.00 H new ATOM 932 N GLN A 58 -6.364 4.068 3.789 1.00 0.00 N ATOM 933 CA GLN A 58 -5.301 3.242 4.352 1.00 0.00 C ATOM 934 C GLN A 58 -4.087 3.237 3.430 1.00 0.00 C ATOM 935 O GLN A 58 -2.958 3.482 3.864 1.00 0.00 O ATOM 936 CB GLN A 58 -5.789 1.808 4.565 1.00 0.00 C ATOM 937 CG GLN A 58 -6.957 1.682 5.527 1.00 0.00 C ATOM 938 CD GLN A 58 -7.379 0.240 5.725 1.00 0.00 C ATOM 939 OE1 GLN A 58 -6.563 -0.673 5.638 1.00 0.00 O ATOM 940 NE2 GLN A 58 -8.652 0.026 6.005 1.00 0.00 N ATOM 0 H GLN A 58 -7.207 3.553 3.537 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.017 3.666 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.080 1.389 3.602 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.960 1.206 4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.682 2.114 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.802 2.258 5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.299 0.812 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.988 -0.925 6.158 1.00 0.00 H new ATOM 949 N ALA A 59 -4.332 2.970 2.152 1.00 0.00 N ATOM 950 CA ALA A 59 -3.268 2.907 1.158 1.00 0.00 C ATOM 951 C ALA A 59 -2.598 4.267 0.989 1.00 0.00 C ATOM 952 O ALA A 59 -1.372 4.361 0.906 1.00 0.00 O ATOM 953 CB ALA A 59 -3.813 2.404 -0.170 1.00 0.00 C ATOM 0 H ALA A 59 -5.265 2.793 1.779 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.513 2.204 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.006 2.363 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.234 1.407 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.590 3.081 -0.524 1.00 0.00 H new ATOM 959 N GLN A 60 -3.408 5.320 0.954 1.00 0.00 N ATOM 960 CA GLN A 60 -2.894 6.684 0.864 1.00 0.00 C ATOM 961 C GLN A 60 -2.018 7.014 2.064 1.00 0.00 C ATOM 962 O GLN A 60 -0.943 7.597 1.917 1.00 0.00 O ATOM 963 CB GLN A 60 -4.046 7.686 0.764 1.00 0.00 C ATOM 964 CG GLN A 60 -4.355 8.124 -0.657 1.00 0.00 C ATOM 965 CD GLN A 60 -3.288 9.046 -1.217 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.382 10.268 -1.099 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.258 8.472 -1.814 1.00 0.00 N ATOM 0 H GLN A 60 -4.425 5.256 0.987 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.286 6.756 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.941 7.242 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.803 8.565 1.361 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.445 7.245 -1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.319 8.632 -0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.215 7.456 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.506 9.045 -2.196 1.00 0.00 H new ATOM 976 N HIS A 61 -2.483 6.625 3.245 1.00 0.00 N ATOM 977 CA HIS A 61 -1.731 6.827 4.474 1.00 0.00 C ATOM 978 C HIS A 61 -0.350 6.189 4.357 1.00 0.00 C ATOM 979 O HIS A 61 0.651 6.809 4.699 1.00 0.00 O ATOM 980 CB HIS A 61 -2.490 6.234 5.666 1.00 0.00 C ATOM 981 CG HIS A 61 -1.841 6.492 6.990 1.00 0.00 C ATOM 982 ND1 HIS A 61 -0.858 5.684 7.518 1.00 0.00 N ATOM 983 CD2 HIS A 61 -2.048 7.471 7.901 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.495 6.152 8.695 1.00 0.00 C ATOM 985 NE2 HIS A 61 -1.200 7.237 8.955 1.00 0.00 N ATOM 0 H HIS A 61 -3.384 6.165 3.376 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.610 7.898 4.637 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.500 6.645 5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.586 5.158 5.523 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.751 8.286 7.815 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.255 5.719 9.340 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.127 7.806 9.798 1.00 0.00 H new ATOM 994 N LEU A 62 -0.309 4.954 3.863 1.00 0.00 N ATOM 995 CA LEU A 62 0.950 4.239 3.668 1.00 0.00 C ATOM 996 C LEU A 62 1.906 5.051 2.800 1.00 0.00 C ATOM 997 O LEU A 62 3.033 5.334 3.201 1.00 0.00 O ATOM 998 CB LEU A 62 0.694 2.876 3.015 1.00 0.00 C ATOM 999 CG LEU A 62 -0.090 1.872 3.864 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.444 0.644 3.040 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.718 1.468 5.088 1.00 0.00 C ATOM 0 H LEU A 62 -1.137 4.425 3.589 1.00 0.00 H new ATOM 0 HA LEU A 62 1.407 4.088 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.153 3.036 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.655 2.432 2.754 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.013 2.347 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.001 -0.060 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.055 0.941 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.470 0.169 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.147 0.754 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.654 1.009 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.932 2.351 5.690 1.00 0.00 H new ATOM 1013 N ILE A 63 1.423 5.453 1.628 1.00 0.00 N ATOM 1014 CA ILE A 63 2.222 6.202 0.664 1.00 0.00 C ATOM 1015 C ILE A 63 2.819 7.467 1.285 1.00 0.00 C ATOM 1016 O ILE A 63 3.973 7.818 1.025 1.00 0.00 O ATOM 1017 CB ILE A 63 1.369 6.592 -0.565 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.829 5.339 -1.257 1.00 0.00 C ATOM 1019 CG2 ILE A 63 2.177 7.434 -1.540 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.119 5.628 -2.405 1.00 0.00 C ATOM 0 H ILE A 63 0.468 5.269 1.320 1.00 0.00 H new ATOM 0 HA ILE A 63 3.039 5.551 0.351 1.00 0.00 H new ATOM 0 HB ILE A 63 0.525 7.190 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.668 4.753 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.314 4.723 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.556 7.696 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.513 8.344 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.043 6.866 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.457 4.689 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.979 6.186 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.397 6.217 -3.164 1.00 0.00 H new ATOM 1032 N ASP A 64 2.035 8.139 2.114 1.00 0.00 N ATOM 1033 CA ASP A 64 2.439 9.420 2.682 1.00 0.00 C ATOM 1034 C ASP A 64 3.301 9.281 3.932 1.00 0.00 C ATOM 1035 O ASP A 64 3.964 10.240 4.338 1.00 0.00 O ATOM 1036 CB ASP A 64 1.210 10.265 3.009 1.00 0.00 C ATOM 1037 CG ASP A 64 0.691 11.019 1.806 1.00 0.00 C ATOM 1038 OD1 ASP A 64 1.500 11.695 1.134 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -0.532 10.973 1.550 1.00 0.00 O ATOM 0 H ASP A 64 1.113 7.819 2.410 1.00 0.00 H new ATOM 0 HA ASP A 64 3.048 9.910 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.422 9.620 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.460 10.974 3.798 1.00 0.00 H new ATOM 1044 N THR A 65 3.306 8.112 4.548 1.00 0.00 N ATOM 1045 CA THR A 65 4.019 7.949 5.806 1.00 0.00 C ATOM 1046 C THR A 65 5.324 7.175 5.650 1.00 0.00 C ATOM 1047 O THR A 65 6.403 7.716 5.889 1.00 0.00 O ATOM 1048 CB THR A 65 3.138 7.271 6.872 1.00 0.00 C ATOM 1049 OG1 THR A 65 2.512 6.100 6.328 1.00 0.00 O ATOM 1050 CG2 THR A 65 2.076 8.231 7.385 1.00 0.00 C ATOM 0 H THR A 65 2.834 7.274 4.207 1.00 0.00 H new ATOM 0 HA THR A 65 4.268 8.957 6.137 1.00 0.00 H new ATOM 0 HB THR A 65 3.777 6.981 7.706 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.813 6.367 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.466 7.731 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.557 9.102 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.443 8.549 6.557 1.00 0.00 H new ATOM 1058 N SER A 66 5.239 5.915 5.255 1.00 0.00 N ATOM 1059 CA SER A 66 6.413 5.059 5.240 1.00 0.00 C ATOM 1060 C SER A 66 6.279 3.935 4.230 1.00 0.00 C ATOM 1061 O SER A 66 5.177 3.580 3.826 1.00 0.00 O ATOM 1062 CB SER A 66 6.632 4.462 6.628 1.00 0.00 C ATOM 1063 OG SER A 66 6.873 5.476 7.592 1.00 0.00 O ATOM 0 H SER A 66 4.378 5.466 4.943 1.00 0.00 H new ATOM 0 HA SER A 66 7.266 5.674 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.757 3.881 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.477 3.774 6.601 1.00 0.00 H new ATOM 0 HG SER A 66 7.008 5.066 8.472 1.00 0.00 H new ATOM 1069 N CYS A 67 7.412 3.371 3.845 1.00 0.00 N ATOM 1070 CA CYS A 67 7.434 2.220 2.967 1.00 0.00 C ATOM 1071 C CYS A 67 7.707 0.961 3.772 1.00 0.00 C ATOM 1072 O CYS A 67 8.838 0.712 4.197 1.00 0.00 O ATOM 1073 CB CYS A 67 8.502 2.397 1.885 1.00 0.00 C ATOM 1074 SG CYS A 67 8.848 0.899 0.932 1.00 0.00 S ATOM 0 H CYS A 67 8.335 3.698 4.132 1.00 0.00 H new ATOM 0 HA CYS A 67 6.462 2.128 2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.183 3.184 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.425 2.737 2.354 1.00 0.00 H new ATOM 0 HG CYS A 67 9.078 -0.089 1.745 1.00 0.00 H new ATOM 1080 N GLU A 68 6.657 0.185 3.992 1.00 0.00 N ATOM 1081 CA GLU A 68 6.759 -1.071 4.709 1.00 0.00 C ATOM 1082 C GLU A 68 5.438 -1.822 4.619 1.00 0.00 C ATOM 1083 O GLU A 68 4.412 -1.339 5.098 1.00 0.00 O ATOM 1084 CB GLU A 68 7.118 -0.817 6.174 1.00 0.00 C ATOM 1085 CG GLU A 68 7.363 -2.083 6.973 1.00 0.00 C ATOM 1086 CD GLU A 68 7.803 -1.793 8.389 1.00 0.00 C ATOM 1087 OE1 GLU A 68 8.982 -1.423 8.581 1.00 0.00 O ATOM 1088 OE2 GLU A 68 6.975 -1.930 9.317 1.00 0.00 O ATOM 0 H GLU A 68 5.713 0.410 3.678 1.00 0.00 H new ATOM 0 HA GLU A 68 7.546 -1.674 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.011 -0.193 6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.312 -0.253 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.451 -2.679 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.124 -2.683 6.474 1.00 0.00 H new ATOM 1095 N LEU A 69 5.465 -2.991 3.997 1.00 0.00 N ATOM 1096 CA LEU A 69 4.273 -3.816 3.866 1.00 0.00 C ATOM 1097 C LEU A 69 4.639 -5.218 3.412 1.00 0.00 C ATOM 1098 O LEU A 69 5.462 -5.397 2.511 1.00 0.00 O ATOM 1099 CB LEU A 69 3.280 -3.200 2.868 1.00 0.00 C ATOM 1100 CG LEU A 69 1.924 -3.912 2.764 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.176 -3.825 4.085 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.095 -3.312 1.641 1.00 0.00 C ATOM 0 H LEU A 69 6.302 -3.391 3.574 1.00 0.00 H new ATOM 0 HA LEU A 69 3.800 -3.867 4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.105 -2.162 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.742 -3.189 1.881 1.00 0.00 H new ATOM 0 HG LEU A 69 2.101 -4.963 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.217 -4.335 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.766 -4.299 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.008 -2.779 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.137 -3.828 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.925 -2.254 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.627 -3.423 0.696 1.00 0.00 H new ATOM 1114 N ASP A 70 4.039 -6.207 4.050 1.00 0.00 N ATOM 1115 CA ASP A 70 4.169 -7.586 3.613 1.00 0.00 C ATOM 1116 C ASP A 70 2.949 -7.942 2.789 1.00 0.00 C ATOM 1117 O ASP A 70 1.838 -7.989 3.314 1.00 0.00 O ATOM 1118 CB ASP A 70 4.286 -8.523 4.813 1.00 0.00 C ATOM 1119 CG ASP A 70 4.590 -9.954 4.411 1.00 0.00 C ATOM 1120 OD1 ASP A 70 5.784 -10.308 4.331 1.00 0.00 O ATOM 1121 OD2 ASP A 70 3.637 -10.739 4.209 1.00 0.00 O ATOM 0 H ASP A 70 3.454 -6.080 4.876 1.00 0.00 H new ATOM 0 HA ASP A 70 5.073 -7.697 3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.072 -8.161 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.355 -8.499 5.380 1.00 0.00 H new ATOM 1126 N VAL A 71 3.146 -8.171 1.501 1.00 0.00 N ATOM 1127 CA VAL A 71 2.026 -8.364 0.590 1.00 0.00 C ATOM 1128 C VAL A 71 1.648 -9.832 0.466 1.00 0.00 C ATOM 1129 O VAL A 71 0.969 -10.231 -0.479 1.00 0.00 O ATOM 1130 CB VAL A 71 2.317 -7.777 -0.806 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.390 -6.262 -0.725 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.605 -8.343 -1.384 1.00 0.00 C ATOM 0 H VAL A 71 4.065 -8.228 1.063 1.00 0.00 H new ATOM 0 HA VAL A 71 1.182 -7.826 1.020 1.00 0.00 H new ATOM 0 HB VAL A 71 1.503 -8.059 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.596 -5.854 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.440 -5.871 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.187 -5.972 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.783 -7.910 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.438 -8.099 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.518 -9.426 -1.474 1.00 0.00 H new ATOM 1142 N GLY A 72 2.074 -10.625 1.435 1.00 0.00 N ATOM 1143 CA GLY A 72 1.672 -12.012 1.490 1.00 0.00 C ATOM 1144 C GLY A 72 2.360 -12.878 0.455 1.00 0.00 C ATOM 1145 O GLY A 72 3.123 -12.381 -0.379 1.00 0.00 O ATOM 0 H GLY A 72 2.695 -10.330 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.887 -12.406 2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.593 -12.076 1.348 1.00 0.00 H new ATOM 1149 N ALA A 73 2.105 -14.186 0.533 1.00 0.00 N ATOM 1150 CA ALA A 73 2.627 -15.160 -0.428 1.00 0.00 C ATOM 1151 C ALA A 73 4.153 -15.234 -0.384 1.00 0.00 C ATOM 1152 O ALA A 73 4.788 -15.799 -1.280 1.00 0.00 O ATOM 1153 CB ALA A 73 2.141 -14.833 -1.837 1.00 0.00 C ATOM 0 H ALA A 73 1.529 -14.600 1.266 1.00 0.00 H new ATOM 0 HA ALA A 73 2.245 -16.141 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.538 -15.567 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.052 -14.860 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.485 -13.838 -2.119 1.00 0.00 H new ATOM 1159 N GLY A 74 4.735 -14.680 0.673 1.00 0.00 N ATOM 1160 CA GLY A 74 6.176 -14.673 0.812 1.00 0.00 C ATOM 1161 C GLY A 74 6.818 -13.542 0.034 1.00 0.00 C ATOM 1162 O GLY A 74 8.017 -13.577 -0.248 1.00 0.00 O ATOM 0 H GLY A 74 4.230 -14.234 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.438 -14.582 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.578 -15.625 0.465 1.00 0.00 H new ATOM 1166 N LYS A 75 6.021 -12.542 -0.322 1.00 0.00 N ATOM 1167 CA LYS A 75 6.527 -11.402 -1.067 1.00 0.00 C ATOM 1168 C LYS A 75 6.574 -10.159 -0.187 1.00 0.00 C ATOM 1169 O LYS A 75 5.698 -9.941 0.651 1.00 0.00 O ATOM 1170 CB LYS A 75 5.654 -11.108 -2.288 1.00 0.00 C ATOM 1171 CG LYS A 75 5.451 -12.283 -3.229 1.00 0.00 C ATOM 1172 CD LYS A 75 4.699 -11.849 -4.480 1.00 0.00 C ATOM 1173 CE LYS A 75 3.377 -11.173 -4.142 1.00 0.00 C ATOM 1174 NZ LYS A 75 2.704 -10.626 -5.351 1.00 0.00 N ATOM 0 H LYS A 75 5.025 -12.500 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 75 7.534 -11.655 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.678 -10.764 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.102 -10.287 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.417 -12.703 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.896 -13.071 -2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.320 -11.164 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.512 -12.718 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.718 -11.891 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.554 -10.367 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.738 -10.328 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.239 -9.808 -5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.663 -11.359 -6.087 1.00 0.00 H new ATOM 1188 N TYR A 76 7.591 -9.346 -0.396 1.00 0.00 N ATOM 1189 CA TYR A 76 7.719 -8.078 0.299 1.00 0.00 C ATOM 1190 C TYR A 76 7.456 -6.951 -0.689 1.00 0.00 C ATOM 1191 O TYR A 76 7.588 -7.144 -1.903 1.00 0.00 O ATOM 1192 CB TYR A 76 9.123 -7.932 0.891 1.00 0.00 C ATOM 1193 CG TYR A 76 9.627 -9.183 1.579 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.146 -9.560 2.826 1.00 0.00 C ATOM 1195 CD2 TYR A 76 10.586 -9.988 0.973 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.604 -10.706 3.449 1.00 0.00 C ATOM 1197 CE2 TYR A 76 11.047 -11.133 1.590 1.00 0.00 C ATOM 1198 CZ TYR A 76 10.554 -11.488 2.827 1.00 0.00 C ATOM 1199 OH TYR A 76 11.011 -12.629 3.443 1.00 0.00 O ATOM 0 H TYR A 76 8.349 -9.544 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 76 6.997 -8.037 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.817 -7.661 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.122 -7.110 1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.403 -8.949 3.316 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.976 -9.713 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.219 -10.987 4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.791 -11.748 1.106 1.00 0.00 H new ATOM 0 HH TYR A 76 11.677 -13.065 2.871 1.00 0.00 H new ATOM 1209 N LEU A 77 7.081 -5.786 -0.190 1.00 0.00 N ATOM 1210 CA LEU A 77 6.791 -4.667 -1.069 1.00 0.00 C ATOM 1211 C LEU A 77 7.536 -3.413 -0.638 1.00 0.00 C ATOM 1212 O LEU A 77 7.340 -2.905 0.467 1.00 0.00 O ATOM 1213 CB LEU A 77 5.289 -4.383 -1.103 1.00 0.00 C ATOM 1214 CG LEU A 77 4.850 -3.393 -2.183 1.00 0.00 C ATOM 1215 CD1 LEU A 77 5.134 -3.960 -3.565 1.00 0.00 C ATOM 1216 CD2 LEU A 77 3.375 -3.058 -2.038 1.00 0.00 C ATOM 0 H LEU A 77 6.971 -5.591 0.805 1.00 0.00 H new ATOM 0 HA LEU A 77 7.129 -4.943 -2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.759 -5.323 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.984 -3.997 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 77 5.422 -2.473 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.817 -3.245 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.203 -4.148 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.587 -4.894 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.084 -2.352 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.784 -3.969 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.198 -2.612 -1.059 1.00 0.00 H new ATOM 1228 N GLN A 78 8.397 -2.925 -1.516 1.00 0.00 N ATOM 1229 CA GLN A 78 9.040 -1.640 -1.319 1.00 0.00 C ATOM 1230 C GLN A 78 8.563 -0.662 -2.380 1.00 0.00 C ATOM 1231 O GLN A 78 8.561 -0.980 -3.566 1.00 0.00 O ATOM 1232 CB GLN A 78 10.562 -1.770 -1.382 1.00 0.00 C ATOM 1233 CG GLN A 78 11.175 -2.419 -0.153 1.00 0.00 C ATOM 1234 CD GLN A 78 12.690 -2.476 -0.215 1.00 0.00 C ATOM 1235 OE1 GLN A 78 13.367 -2.378 0.806 1.00 0.00 O ATOM 1236 NE2 GLN A 78 13.229 -2.663 -1.410 1.00 0.00 N ATOM 0 H GLN A 78 8.666 -3.404 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 78 8.771 -1.270 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.831 -2.354 -2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.997 -0.779 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.872 -1.864 0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 78 10.782 -3.430 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.631 -2.739 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 78 14.242 -2.731 -1.508 1.00 0.00 H new ATOM 1245 N TRP A 79 8.156 0.521 -1.956 1.00 0.00 N ATOM 1246 CA TRP A 79 7.712 1.542 -2.885 1.00 0.00 C ATOM 1247 C TRP A 79 8.264 2.897 -2.468 1.00 0.00 C ATOM 1248 O TRP A 79 8.077 3.341 -1.334 1.00 0.00 O ATOM 1249 CB TRP A 79 6.172 1.577 -2.976 1.00 0.00 C ATOM 1250 CG TRP A 79 5.480 2.127 -1.759 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.041 3.412 -1.579 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.148 1.421 -0.557 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.466 3.545 -0.340 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.517 2.341 0.305 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.323 0.103 -0.121 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.061 1.982 1.570 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.869 -0.251 1.137 1.00 0.00 C ATOM 1258 CH2 TRP A 79 4.246 0.689 1.971 1.00 0.00 C ATOM 0 H TRP A 79 8.124 0.797 -0.975 1.00 0.00 H new ATOM 0 HA TRP A 79 8.093 1.300 -3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.887 2.176 -3.841 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.810 0.565 -3.156 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.134 4.205 -2.306 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.065 4.403 0.038 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.805 -0.626 -0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.577 2.702 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.996 -1.266 1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.906 0.385 2.950 1.00 0.00 H new ATOM 1269 N TYR A 80 8.998 3.528 -3.362 1.00 0.00 N ATOM 1270 CA TYR A 80 9.487 4.869 -3.117 1.00 0.00 C ATOM 1271 C TYR A 80 9.425 5.695 -4.392 1.00 0.00 C ATOM 1272 O TYR A 80 9.820 5.240 -5.467 1.00 0.00 O ATOM 1273 CB TYR A 80 10.903 4.855 -2.514 1.00 0.00 C ATOM 1274 CG TYR A 80 11.942 4.059 -3.285 1.00 0.00 C ATOM 1275 CD1 TYR A 80 11.954 2.668 -3.253 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.933 4.704 -4.015 1.00 0.00 C ATOM 1277 CE1 TYR A 80 12.918 1.945 -3.927 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.900 3.987 -4.697 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.888 2.609 -4.648 1.00 0.00 C ATOM 1280 OH TYR A 80 14.852 1.891 -5.321 1.00 0.00 O ATOM 0 H TYR A 80 9.269 3.134 -4.263 1.00 0.00 H new ATOM 0 HA TYR A 80 8.838 5.339 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.251 5.884 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.843 4.454 -1.502 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.195 2.144 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.949 5.783 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 80 12.912 0.866 -3.890 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.660 4.504 -5.264 1.00 0.00 H new ATOM 0 HH TYR A 80 15.459 2.509 -5.780 1.00 0.00 H new ATOM 1290 N ALA A 81 8.880 6.893 -4.272 1.00 0.00 N ATOM 1291 CA ALA A 81 8.776 7.795 -5.402 1.00 0.00 C ATOM 1292 C ALA A 81 10.127 8.404 -5.696 1.00 0.00 C ATOM 1293 O ALA A 81 10.832 8.832 -4.779 1.00 0.00 O ATOM 1294 CB ALA A 81 7.756 8.889 -5.125 1.00 0.00 C ATOM 0 H ALA A 81 8.502 7.263 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 81 8.441 7.228 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 81 7.694 9.555 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.780 8.439 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.062 9.458 -4.247 1.00 0.00 H new ATOM 1300 N VAL A 82 10.494 8.444 -6.961 1.00 0.00 N ATOM 1301 CA VAL A 82 11.752 9.053 -7.333 1.00 0.00 C ATOM 1302 C VAL A 82 11.576 10.559 -7.445 1.00 0.00 C ATOM 1303 O VAL A 82 11.026 11.084 -8.415 1.00 0.00 O ATOM 1304 CB VAL A 82 12.322 8.468 -8.645 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.926 7.096 -8.390 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.247 8.372 -9.715 1.00 0.00 C ATOM 0 H VAL A 82 9.948 8.068 -7.737 1.00 0.00 H new ATOM 0 HA VAL A 82 12.477 8.829 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 82 13.101 9.141 -9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.324 6.695 -9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.730 7.183 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.157 6.426 -8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.677 7.957 -10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.443 7.724 -9.366 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.849 9.366 -9.921 1.00 0.00 H new ATOM 1316 N ARG A 83 12.025 11.245 -6.410 1.00 0.00 N ATOM 1317 CA ARG A 83 11.943 12.688 -6.349 1.00 0.00 C ATOM 1318 C ARG A 83 13.307 13.217 -5.958 1.00 0.00 C ATOM 1319 O ARG A 83 13.824 12.892 -4.889 1.00 0.00 O ATOM 1320 CB ARG A 83 10.883 13.123 -5.325 1.00 0.00 C ATOM 1321 CG ARG A 83 9.604 12.295 -5.379 1.00 0.00 C ATOM 1322 CD ARG A 83 8.592 12.726 -4.326 1.00 0.00 C ATOM 1323 NE ARG A 83 7.711 13.795 -4.796 1.00 0.00 N ATOM 1324 CZ ARG A 83 6.577 14.146 -4.183 1.00 0.00 C ATOM 1325 NH1 ARG A 83 6.220 13.551 -3.047 1.00 0.00 N ATOM 1326 NH2 ARG A 83 5.805 15.094 -4.693 1.00 0.00 N ATOM 0 H ARG A 83 12.456 10.816 -5.591 1.00 0.00 H new ATOM 0 HA ARG A 83 11.649 13.089 -7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.308 13.054 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.635 14.171 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.156 12.386 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.849 11.243 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.989 11.866 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.122 13.062 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 83 7.978 14.302 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.813 12.826 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.354 13.820 -2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.075 15.561 -5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.941 15.357 -4.220 1.00 0.00 H new ATOM 1340 N LEU A 84 13.891 14.013 -6.826 1.00 0.00 N ATOM 1341 CA LEU A 84 15.236 14.507 -6.610 1.00 0.00 C ATOM 1342 C LEU A 84 15.394 15.844 -7.308 1.00 0.00 C ATOM 1343 O LEU A 84 15.193 16.886 -6.694 1.00 0.00 O ATOM 1344 CB LEU A 84 16.265 13.500 -7.142 1.00 0.00 C ATOM 1345 CG LEU A 84 17.695 13.714 -6.657 1.00 0.00 C ATOM 1346 CD1 LEU A 84 17.800 13.408 -5.174 1.00 0.00 C ATOM 1347 CD2 LEU A 84 18.659 12.846 -7.447 1.00 0.00 C ATOM 0 H LEU A 84 13.456 14.334 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 84 15.408 14.636 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.948 12.497 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.258 13.539 -8.231 1.00 0.00 H new ATOM 0 HG LEU A 84 17.962 14.759 -6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.826 13.565 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.134 14.068 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.516 12.371 -4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.675 13.011 -7.088 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.394 11.797 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.601 13.106 -8.504 1.00 0.00 H new ATOM 1359 N GLU A 85 15.722 15.776 -8.605 1.00 0.00 N ATOM 1360 CA GLU A 85 15.788 16.935 -9.507 1.00 0.00 C ATOM 1361 C GLU A 85 16.458 18.151 -8.862 1.00 0.00 C ATOM 1362 O GLU A 85 17.672 18.344 -8.975 1.00 0.00 O ATOM 1363 CB GLU A 85 14.379 17.315 -9.984 1.00 0.00 C ATOM 1364 CG GLU A 85 13.538 16.135 -10.449 1.00 0.00 C ATOM 1365 CD GLU A 85 14.227 15.298 -11.505 1.00 0.00 C ATOM 1366 OE1 GLU A 85 14.360 15.771 -12.651 1.00 0.00 O ATOM 1367 OE2 GLU A 85 14.626 14.157 -11.196 1.00 0.00 O ATOM 0 H GLU A 85 15.954 14.896 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 85 16.403 16.638 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.857 17.821 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.465 18.030 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.300 15.505 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.592 16.504 -10.846 1.00 0.00 H new ATOM 1374 N LYS A 86 15.642 18.943 -8.174 1.00 0.00 N ATOM 1375 CA LYS A 86 16.068 20.176 -7.523 1.00 0.00 C ATOM 1376 C LYS A 86 17.229 19.959 -6.551 1.00 0.00 C ATOM 1377 O LYS A 86 18.137 20.786 -6.479 1.00 0.00 O ATOM 1378 CB LYS A 86 14.879 20.794 -6.778 1.00 0.00 C ATOM 1379 CG LYS A 86 14.116 19.787 -5.927 1.00 0.00 C ATOM 1380 CD LYS A 86 13.015 20.440 -5.111 1.00 0.00 C ATOM 1381 CE LYS A 86 13.577 21.399 -4.074 1.00 0.00 C ATOM 1382 NZ LYS A 86 12.525 21.903 -3.155 1.00 0.00 N ATOM 0 H LYS A 86 14.649 18.742 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 86 16.424 20.850 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.238 21.601 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.197 21.239 -7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.682 19.023 -6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.811 19.281 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.340 20.978 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.426 19.670 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.352 20.895 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.052 22.241 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.950 22.553 -2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.798 22.406 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.089 21.103 -2.654 1.00 0.00 H new ATOM 1396 N LEU A 87 17.201 18.860 -5.800 1.00 0.00 N ATOM 1397 CA LEU A 87 18.222 18.616 -4.787 1.00 0.00 C ATOM 1398 C LEU A 87 18.146 17.189 -4.251 1.00 0.00 C ATOM 1399 O LEU A 87 17.125 16.517 -4.388 1.00 0.00 O ATOM 1400 CB LEU A 87 18.064 19.610 -3.629 1.00 0.00 C ATOM 1401 CG LEU A 87 19.163 19.559 -2.562 1.00 0.00 C ATOM 1402 CD1 LEU A 87 20.497 19.998 -3.143 1.00 0.00 C ATOM 1403 CD2 LEU A 87 18.787 20.421 -1.370 1.00 0.00 C ATOM 0 H LEU A 87 16.490 18.132 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 87 19.196 18.753 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.028 20.618 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.104 19.429 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 87 19.264 18.528 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.263 19.954 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.772 19.335 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.414 21.020 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 87 19.579 20.373 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 87 18.656 21.453 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.856 20.056 -0.937 1.00 0.00 H new ATOM 1415 N GLU A 88 19.250 16.742 -3.661 1.00 0.00 N ATOM 1416 CA GLU A 88 19.309 15.471 -2.952 1.00 0.00 C ATOM 1417 C GLU A 88 18.563 15.591 -1.623 1.00 0.00 C ATOM 1418 O GLU A 88 18.261 16.704 -1.181 1.00 0.00 O ATOM 1419 CB GLU A 88 20.786 15.094 -2.727 1.00 0.00 C ATOM 1420 CG GLU A 88 21.020 13.862 -1.860 1.00 0.00 C ATOM 1421 CD GLU A 88 20.466 12.588 -2.464 1.00 0.00 C ATOM 1422 OE1 GLU A 88 19.254 12.328 -2.309 1.00 0.00 O ATOM 1423 OE2 GLU A 88 21.244 11.831 -3.076 1.00 0.00 O ATOM 0 H GLU A 88 20.132 17.254 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 88 18.831 14.687 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 88 21.253 14.929 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 88 21.294 15.942 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.091 13.741 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 88 20.562 14.022 -0.884 1.00 0.00 H new ATOM 1430 N HIS A 89 18.250 14.452 -1.005 1.00 0.00 N ATOM 1431 CA HIS A 89 17.614 14.435 0.310 1.00 0.00 C ATOM 1432 C HIS A 89 18.368 15.354 1.265 1.00 0.00 C ATOM 1433 O HIS A 89 19.558 15.159 1.520 1.00 0.00 O ATOM 1434 CB HIS A 89 17.583 13.019 0.891 1.00 0.00 C ATOM 1435 CG HIS A 89 16.767 12.034 0.115 1.00 0.00 C ATOM 1436 ND1 HIS A 89 15.397 12.102 0.006 1.00 0.00 N ATOM 1437 CD2 HIS A 89 17.140 10.928 -0.564 1.00 0.00 C ATOM 1438 CE1 HIS A 89 14.963 11.079 -0.704 1.00 0.00 C ATOM 1439 NE2 HIS A 89 16.002 10.347 -1.062 1.00 0.00 N ATOM 0 H HIS A 89 18.428 13.527 -1.396 1.00 0.00 H new ATOM 0 HA HIS A 89 16.589 14.785 0.191 1.00 0.00 H new ATOM 0 HB2 HIS A 89 18.606 12.648 0.958 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.194 13.068 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.150 10.567 -0.692 1.00 0.00 H new ATOM 0 HE1 HIS A 89 13.932 10.874 -0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 89 15.964 9.492 -1.617 1.00 0.00 H new ATOM 1448 N HIS A 90 17.674 16.346 1.796 1.00 0.00 N ATOM 1449 CA HIS A 90 18.309 17.376 2.596 1.00 0.00 C ATOM 1450 C HIS A 90 18.489 16.910 4.040 1.00 0.00 C ATOM 1451 O HIS A 90 17.777 17.345 4.947 1.00 0.00 O ATOM 1452 CB HIS A 90 17.486 18.668 2.536 1.00 0.00 C ATOM 1453 CG HIS A 90 18.164 19.849 3.150 1.00 0.00 C ATOM 1454 ND1 HIS A 90 17.686 20.493 4.270 1.00 0.00 N ATOM 1455 CD2 HIS A 90 19.290 20.505 2.792 1.00 0.00 C ATOM 1456 CE1 HIS A 90 18.489 21.493 4.575 1.00 0.00 C ATOM 1457 NE2 HIS A 90 19.471 21.519 3.695 1.00 0.00 N ATOM 0 H HIS A 90 16.666 16.459 1.686 1.00 0.00 H new ATOM 0 HA HIS A 90 19.299 17.575 2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 90 17.258 18.894 1.494 1.00 0.00 H new ATOM 0 HB3 HIS A 90 16.535 18.504 3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 90 19.928 20.273 1.952 1.00 0.00 H new ATOM 0 HE1 HIS A 90 18.364 22.174 5.404 1.00 0.00 H new ATOM 0 HE2 HIS A 90 20.242 22.187 3.688 1.00 0.00 H new ATOM 1466 N HIS A 91 19.439 16.008 4.238 1.00 0.00 N ATOM 1467 CA HIS A 91 19.737 15.486 5.566 1.00 0.00 C ATOM 1468 C HIS A 91 21.211 15.681 5.897 1.00 0.00 C ATOM 1469 O HIS A 91 22.075 15.495 5.041 1.00 0.00 O ATOM 1470 CB HIS A 91 19.358 14.000 5.672 1.00 0.00 C ATOM 1471 CG HIS A 91 20.094 13.088 4.726 1.00 0.00 C ATOM 1472 ND1 HIS A 91 21.352 12.589 4.988 1.00 0.00 N ATOM 1473 CD2 HIS A 91 19.733 12.571 3.530 1.00 0.00 C ATOM 1474 CE1 HIS A 91 21.731 11.809 3.992 1.00 0.00 C ATOM 1475 NE2 HIS A 91 20.766 11.776 3.093 1.00 0.00 N ATOM 0 H HIS A 91 20.019 15.621 3.494 1.00 0.00 H new ATOM 0 HA HIS A 91 19.139 16.042 6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 91 19.542 13.665 6.693 1.00 0.00 H new ATOM 0 HB3 HIS A 91 18.288 13.899 5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.802 12.750 3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 91 22.673 11.286 3.925 1.00 0.00 H new ATOM 0 HE2 HIS A 91 20.783 11.249 2.220 1.00 0.00 H new ATOM 1484 N HIS A 92 21.494 16.078 7.129 1.00 0.00 N ATOM 1485 CA HIS A 92 22.872 16.271 7.567 1.00 0.00 C ATOM 1486 C HIS A 92 23.088 15.707 8.962 1.00 0.00 C ATOM 1487 O HIS A 92 24.045 16.065 9.646 1.00 0.00 O ATOM 1488 CB HIS A 92 23.253 17.752 7.528 1.00 0.00 C ATOM 1489 CG HIS A 92 23.627 18.233 6.163 1.00 0.00 C ATOM 1490 ND1 HIS A 92 22.723 18.789 5.289 1.00 0.00 N ATOM 1491 CD2 HIS A 92 24.816 18.225 5.518 1.00 0.00 C ATOM 1492 CE1 HIS A 92 23.337 19.099 4.161 1.00 0.00 C ATOM 1493 NE2 HIS A 92 24.609 18.767 4.275 1.00 0.00 N ATOM 0 H HIS A 92 20.792 16.273 7.842 1.00 0.00 H new ATOM 0 HA HIS A 92 23.518 15.729 6.876 1.00 0.00 H new ATOM 0 HB2 HIS A 92 22.416 18.345 7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 92 24.089 17.923 8.207 1.00 0.00 H new ATOM 0 HD2 HIS A 92 25.754 17.860 5.909 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.876 19.548 3.293 1.00 0.00 H new ATOM 0 HE2 HIS A 92 25.322 18.893 3.556 1.00 0.00 H new ATOM 1502 N HIS A 93 22.204 14.809 9.372 1.00 0.00 N ATOM 1503 CA HIS A 93 22.364 14.123 10.644 1.00 0.00 C ATOM 1504 C HIS A 93 23.492 13.110 10.511 1.00 0.00 C ATOM 1505 O HIS A 93 24.203 12.814 11.469 1.00 0.00 O ATOM 1506 CB HIS A 93 21.060 13.434 11.055 1.00 0.00 C ATOM 1507 CG HIS A 93 21.072 12.903 12.455 1.00 0.00 C ATOM 1508 ND1 HIS A 93 20.530 11.686 12.808 1.00 0.00 N ATOM 1509 CD2 HIS A 93 21.554 13.442 13.598 1.00 0.00 C ATOM 1510 CE1 HIS A 93 20.679 11.502 14.106 1.00 0.00 C ATOM 1511 NE2 HIS A 93 21.297 12.552 14.609 1.00 0.00 N ATOM 0 H HIS A 93 21.373 14.540 8.845 1.00 0.00 H new ATOM 0 HA HIS A 93 22.611 14.845 11.422 1.00 0.00 H new ATOM 0 HB2 HIS A 93 20.238 14.142 10.952 1.00 0.00 H new ATOM 0 HB3 HIS A 93 20.861 12.613 10.367 1.00 0.00 H new ATOM 0 HD2 HIS A 93 22.050 14.397 13.696 1.00 0.00 H new ATOM 0 HE1 HIS A 93 20.350 10.637 14.663 1.00 0.00 H new ATOM 0 HE2 HIS A 93 21.544 12.681 15.590 1.00 0.00 H new ATOM 1520 N HIS A 94 23.633 12.583 9.304 1.00 0.00 N ATOM 1521 CA HIS A 94 24.769 11.753 8.947 1.00 0.00 C ATOM 1522 C HIS A 94 25.868 12.621 8.352 1.00 0.00 C ATOM 1523 O HIS A 94 26.860 12.899 9.058 1.00 0.00 O ATOM 1524 CB HIS A 94 24.357 10.666 7.947 1.00 0.00 C ATOM 1525 CG HIS A 94 24.178 9.313 8.565 1.00 0.00 C ATOM 1526 ND1 HIS A 94 22.970 8.849 9.036 1.00 0.00 N ATOM 1527 CD2 HIS A 94 25.069 8.318 8.783 1.00 0.00 C ATOM 1528 CE1 HIS A 94 23.126 7.629 9.517 1.00 0.00 C ATOM 1529 NE2 HIS A 94 24.391 7.282 9.374 1.00 0.00 N ATOM 1530 OXT HIS A 94 25.716 13.055 7.196 1.00 0.00 O ATOM 0 H HIS A 94 22.963 12.720 8.547 1.00 0.00 H new ATOM 0 HA HIS A 94 25.141 11.264 9.847 1.00 0.00 H new ATOM 0 HB2 HIS A 94 23.424 10.962 7.466 1.00 0.00 H new ATOM 0 HB3 HIS A 94 25.112 10.601 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 94 26.120 8.336 8.537 1.00 0.00 H new ATOM 0 HE1 HIS A 94 22.349 7.018 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 94 24.798 6.390 9.656 1.00 0.00 H new TER 1539 HIS A 94