USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 832 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 93 LYS NZ :NH3+ -178:sc= 0.19 (180deg=-0.557) USER MOD Set 1.2: A 94 ASN : amide:sc= 0.502 K(o=0.69,f=-5.4) USER MOD Set 2.1: A 74 ASN : amide:sc= 0.0545 K(o=0.054,f=-8.8!) USER MOD Set 2.2: A 82 SER OG : rot -140:sc= 0 USER MOD Set 3.1: A 66 THR OG1 : rot -85:sc= 0.244 USER MOD Set 3.2: A 89 THR OG1 : rot 37:sc= 1.44 USER MOD Set 4.1: A 46 TYR OH : rot -148:sc= -0.348 USER MOD Set 4.2: A 71 SER OG : rot 49:sc= 0.0558 USER MOD Set 5.1: A 8 ASN : amide:sc= -0.297 K(o=0.046,f=-4!) USER MOD Set 5.2: A 9 ASN : amide:sc= 0.343 K(o=0.046,f=-0.61) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.32 (180deg=0.768) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.174 (180deg=-0.696) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 144:sc= -0.3 (180deg=-1.19) USER MOD Single : A 17 TYR OH : rot -139:sc= 0.843 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0306 F(o=-1.2,f=-0.031) USER MOD Single : A 21 SER OG : rot -82:sc= 1.27 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 1.23 (180deg=-0.669!) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= 1.2 (180deg=-0.935) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.107 K(o=0.11,f=-5.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -42:sc= 0.714 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0546 (180deg=-0.425) USER MOD Single : A 49 THR OG1 : rot 45:sc= 0.256 USER MOD Single : A 51 ASN : amide:sc= -4.16! C(o=-4.2!,f=-11!) USER MOD Single : A 65 MET CE :methyl -118:sc= -0.82 (180deg=-3.15!) USER MOD Single : A 67 ASN : amide:sc= -0.39 K(o=-0.39,f=-1.6) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 70 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 73 THR OG1 : rot -71:sc= -2.18! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -123:sc= 1.22 USER MOD Single : A 97 SER OG : rot -43:sc= 0.422 USER MOD Single : A 100 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.044) USER MOD Single : A 101 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD Single : A 102 HIS : no HE2:sc= 0.345 K(o=0.34,f=-5.4!) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.0773 F(o=-1.1,f=-0.077) USER MOD Single : A 104 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=-0.0077) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.279 6.839 4.226 1.00 0.00 N ATOM 2 CA MET A 1 10.332 7.645 3.426 1.00 0.00 C ATOM 3 C MET A 1 9.962 6.901 2.152 1.00 0.00 C ATOM 4 O MET A 1 10.820 6.306 1.501 1.00 0.00 O ATOM 5 CB MET A 1 10.940 9.012 3.075 1.00 0.00 C ATOM 6 CG MET A 1 11.080 9.960 4.259 1.00 0.00 C ATOM 7 SD MET A 1 12.229 9.359 5.516 1.00 0.00 S ATOM 8 CE MET A 1 12.099 10.661 6.739 1.00 0.00 C ATOM 0 H1 MET A 1 11.964 7.468 4.691 1.00 0.00 H new ATOM 0 H2 MET A 1 10.756 6.303 4.948 1.00 0.00 H new ATOM 0 H3 MET A 1 11.785 6.177 3.603 1.00 0.00 H new ATOM 0 HA MET A 1 9.434 7.809 4.021 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.923 8.856 2.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.320 9.488 2.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.419 10.932 3.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.101 10.112 4.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.752 10.435 7.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.397 11.610 6.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.069 10.731 7.087 1.00 0.00 H new ATOM 20 N VAL A 2 8.685 6.921 1.808 1.00 0.00 N ATOM 21 CA VAL A 2 8.205 6.248 0.609 1.00 0.00 C ATOM 22 C VAL A 2 7.374 7.210 -0.226 1.00 0.00 C ATOM 23 O VAL A 2 6.234 7.515 0.120 1.00 0.00 O ATOM 24 CB VAL A 2 7.350 4.999 0.942 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.919 4.282 -0.332 1.00 0.00 C ATOM 26 CG2 VAL A 2 8.111 4.048 1.858 1.00 0.00 C ATOM 0 H VAL A 2 7.959 7.397 2.343 1.00 0.00 H new ATOM 0 HA VAL A 2 9.082 5.919 0.051 1.00 0.00 H new ATOM 0 HB VAL A 2 6.455 5.335 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.320 3.409 -0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.327 4.959 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.802 3.965 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.490 3.179 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.028 3.724 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.360 4.560 2.788 1.00 0.00 H new ATOM 36 N LYS A 3 7.957 7.710 -1.307 1.00 0.00 N ATOM 37 CA LYS A 3 7.255 8.640 -2.176 1.00 0.00 C ATOM 38 C LYS A 3 6.633 7.910 -3.356 1.00 0.00 C ATOM 39 O LYS A 3 5.438 8.039 -3.623 1.00 0.00 O ATOM 40 CB LYS A 3 8.197 9.732 -2.683 1.00 0.00 C ATOM 41 CG LYS A 3 7.497 10.741 -3.577 1.00 0.00 C ATOM 42 CD LYS A 3 8.443 11.815 -4.078 1.00 0.00 C ATOM 43 CE LYS A 3 7.700 12.867 -4.884 1.00 0.00 C ATOM 44 NZ LYS A 3 6.565 13.446 -4.117 1.00 0.00 N ATOM 0 H LYS A 3 8.908 7.488 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 3 6.462 9.106 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.637 10.251 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.017 9.272 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.054 10.224 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.680 11.207 -3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.943 12.287 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.219 11.361 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.390 13.661 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.327 12.422 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.265 14.337 -4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.770 12.776 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.865 13.631 -3.139 1.00 0.00 H new ATOM 58 N THR A 4 7.447 7.147 -4.068 1.00 0.00 N ATOM 59 CA THR A 4 6.972 6.448 -5.249 1.00 0.00 C ATOM 60 C THR A 4 6.519 5.026 -4.911 1.00 0.00 C ATOM 61 O THR A 4 7.267 4.062 -5.080 1.00 0.00 O ATOM 62 CB THR A 4 8.046 6.400 -6.355 1.00 0.00 C ATOM 63 OG1 THR A 4 8.605 7.709 -6.553 1.00 0.00 O ATOM 64 CG2 THR A 4 7.451 5.910 -7.666 1.00 0.00 C ATOM 0 H THR A 4 8.432 6.997 -3.850 1.00 0.00 H new ATOM 0 HA THR A 4 6.117 7.011 -5.622 1.00 0.00 H new ATOM 0 HB THR A 4 8.826 5.708 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.287 7.671 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.227 5.885 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.044 4.908 -7.529 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.655 6.585 -7.979 1.00 0.00 H new ATOM 72 N LEU A 5 5.312 4.916 -4.385 1.00 0.00 N ATOM 73 CA LEU A 5 4.665 3.626 -4.208 1.00 0.00 C ATOM 74 C LEU A 5 3.582 3.505 -5.262 1.00 0.00 C ATOM 75 O LEU A 5 2.812 4.437 -5.459 1.00 0.00 O ATOM 76 CB LEU A 5 4.065 3.502 -2.802 1.00 0.00 C ATOM 77 CG LEU A 5 3.345 2.182 -2.510 1.00 0.00 C ATOM 78 CD1 LEU A 5 4.308 1.010 -2.598 1.00 0.00 C ATOM 79 CD2 LEU A 5 2.681 2.227 -1.143 1.00 0.00 C ATOM 0 H LEU A 5 4.756 5.711 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 5 5.394 2.824 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.864 3.630 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.362 4.321 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 5 2.571 2.043 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.774 0.084 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.733 0.963 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.108 1.141 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.175 1.281 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.438 2.394 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.954 3.039 -1.118 1.00 0.00 H new ATOM 91 N ARG A 6 3.534 2.389 -5.964 1.00 0.00 N ATOM 92 CA ARG A 6 2.610 2.268 -7.075 1.00 0.00 C ATOM 93 C ARG A 6 1.864 0.942 -7.031 1.00 0.00 C ATOM 94 O ARG A 6 2.464 -0.131 -7.126 1.00 0.00 O ATOM 95 CB ARG A 6 3.377 2.409 -8.389 1.00 0.00 C ATOM 96 CG ARG A 6 2.580 3.063 -9.500 1.00 0.00 C ATOM 97 CD ARG A 6 3.456 3.326 -10.708 1.00 0.00 C ATOM 98 NE ARG A 6 2.819 4.213 -11.680 1.00 0.00 N ATOM 99 CZ ARG A 6 3.485 5.108 -12.409 1.00 0.00 C ATOM 100 NH1 ARG A 6 4.800 5.236 -12.259 1.00 0.00 N ATOM 101 NH2 ARG A 6 2.843 5.865 -13.295 1.00 0.00 N ATOM 0 H ARG A 6 4.112 1.567 -5.790 1.00 0.00 H new ATOM 0 HA ARG A 6 1.868 3.063 -7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.279 2.994 -8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.698 1.421 -8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.747 2.420 -9.783 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.153 4.000 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.397 3.767 -10.381 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.699 2.379 -11.190 1.00 0.00 H new ATOM 0 HE ARG A 6 1.809 4.143 -11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.296 4.650 -11.587 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.313 5.920 -12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.836 5.762 -13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.358 6.548 -13.850 1.00 0.00 H new ATOM 115 N LEU A 7 0.555 1.024 -6.876 1.00 0.00 N ATOM 116 CA LEU A 7 -0.287 -0.159 -6.897 1.00 0.00 C ATOM 117 C LEU A 7 -0.764 -0.412 -8.315 1.00 0.00 C ATOM 118 O LEU A 7 -1.588 0.340 -8.841 1.00 0.00 O ATOM 119 CB LEU A 7 -1.487 0.004 -5.961 1.00 0.00 C ATOM 120 CG LEU A 7 -1.144 0.173 -4.477 1.00 0.00 C ATOM 121 CD1 LEU A 7 -2.412 0.361 -3.660 1.00 0.00 C ATOM 122 CD2 LEU A 7 -0.357 -1.029 -3.967 1.00 0.00 C ATOM 0 H LEU A 7 0.051 1.899 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 7 0.298 -1.010 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.064 0.871 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.133 -0.867 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.523 1.062 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.153 0.480 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.940 1.250 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.054 -0.512 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.123 -0.890 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.953 -1.933 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.569 -1.125 -4.534 1.00 0.00 H new ATOM 134 N ASN A 8 -0.220 -1.454 -8.933 1.00 0.00 N ATOM 135 CA ASN A 8 -0.523 -1.798 -10.322 1.00 0.00 C ATOM 136 C ASN A 8 0.055 -0.752 -11.271 1.00 0.00 C ATOM 137 O ASN A 8 1.063 -0.993 -11.934 1.00 0.00 O ATOM 138 CB ASN A 8 -2.042 -1.959 -10.539 1.00 0.00 C ATOM 139 CG ASN A 8 -2.401 -2.502 -11.915 1.00 0.00 C ATOM 140 OD1 ASN A 8 -1.714 -2.247 -12.903 1.00 0.00 O ATOM 141 ND2 ASN A 8 -3.483 -3.255 -11.993 1.00 0.00 N ATOM 0 H ASN A 8 0.445 -2.086 -8.487 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.055 -2.757 -10.542 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.442 -2.628 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.526 -0.992 -10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.770 -3.644 -12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.031 -3.448 -11.155 1.00 0.00 H new ATOM 148 N ASN A 9 -0.576 0.409 -11.322 1.00 0.00 N ATOM 149 CA ASN A 9 -0.129 1.479 -12.200 1.00 0.00 C ATOM 150 C ASN A 9 -0.418 2.842 -11.590 1.00 0.00 C ATOM 151 O ASN A 9 0.065 3.857 -12.082 1.00 0.00 O ATOM 152 CB ASN A 9 -0.801 1.372 -13.575 1.00 0.00 C ATOM 153 CG ASN A 9 -2.313 1.461 -13.499 1.00 0.00 C ATOM 154 OD1 ASN A 9 -2.893 2.542 -13.587 1.00 0.00 O ATOM 155 ND2 ASN A 9 -2.956 0.319 -13.335 1.00 0.00 N ATOM 0 H ASN A 9 -1.400 0.635 -10.765 1.00 0.00 H new ATOM 0 HA ASN A 9 0.949 1.374 -12.325 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.427 2.167 -14.220 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.520 0.426 -14.039 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.974 0.311 -13.277 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.434 -0.555 -13.267 1.00 0.00 H new ATOM 162 N VAL A 10 -1.180 2.868 -10.504 1.00 0.00 N ATOM 163 CA VAL A 10 -1.553 4.115 -9.881 1.00 0.00 C ATOM 164 C VAL A 10 -0.590 4.445 -8.752 1.00 0.00 C ATOM 165 O VAL A 10 -0.341 3.619 -7.873 1.00 0.00 O ATOM 166 CB VAL A 10 -3.006 4.081 -9.354 1.00 0.00 C ATOM 167 CG1 VAL A 10 -3.993 3.977 -10.507 1.00 0.00 C ATOM 168 CG2 VAL A 10 -3.222 2.938 -8.373 1.00 0.00 C ATOM 0 H VAL A 10 -1.548 2.036 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.497 4.895 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.181 5.016 -8.822 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.010 3.954 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.877 4.839 -11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.801 3.063 -11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.255 2.947 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.015 1.989 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.551 3.057 -7.522 1.00 0.00 H new ATOM 178 N THR A 11 -0.013 5.631 -8.808 1.00 0.00 N ATOM 179 CA THR A 11 0.905 6.068 -7.777 1.00 0.00 C ATOM 180 C THR A 11 0.136 6.359 -6.492 1.00 0.00 C ATOM 181 O THR A 11 -1.021 6.792 -6.532 1.00 0.00 O ATOM 182 CB THR A 11 1.706 7.316 -8.219 1.00 0.00 C ATOM 183 OG1 THR A 11 2.642 7.699 -7.201 1.00 0.00 O ATOM 184 CG2 THR A 11 0.777 8.482 -8.521 1.00 0.00 C ATOM 0 H THR A 11 -0.165 6.307 -9.556 1.00 0.00 H new ATOM 0 HA THR A 11 1.621 5.266 -7.598 1.00 0.00 H new ATOM 0 HB THR A 11 2.249 7.057 -9.128 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.142 8.489 -7.496 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.366 9.346 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.093 8.204 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.205 8.733 -7.627 1.00 0.00 H new ATOM 192 N LEU A 12 0.764 6.106 -5.361 1.00 0.00 N ATOM 193 CA LEU A 12 0.094 6.231 -4.083 1.00 0.00 C ATOM 194 C LEU A 12 0.904 7.071 -3.109 1.00 0.00 C ATOM 195 O LEU A 12 2.124 6.933 -3.007 1.00 0.00 O ATOM 196 CB LEU A 12 -0.154 4.845 -3.490 1.00 0.00 C ATOM 197 CG LEU A 12 -1.039 4.811 -2.246 1.00 0.00 C ATOM 198 CD1 LEU A 12 -2.430 5.336 -2.565 1.00 0.00 C ATOM 199 CD2 LEU A 12 -1.113 3.399 -1.691 1.00 0.00 C ATOM 0 H LEU A 12 1.739 5.812 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.858 6.735 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.610 4.217 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.808 4.397 -3.242 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.597 5.458 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.046 5.304 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.358 6.364 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.884 4.717 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.747 3.389 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.533 2.733 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.112 3.060 -1.425 1.00 0.00 H new ATOM 211 N GLU A 13 0.203 7.939 -2.404 1.00 0.00 N ATOM 212 CA GLU A 13 0.798 8.761 -1.365 1.00 0.00 C ATOM 213 C GLU A 13 0.144 8.435 -0.028 1.00 0.00 C ATOM 214 O GLU A 13 -1.081 8.340 0.067 1.00 0.00 O ATOM 215 CB GLU A 13 0.644 10.244 -1.713 1.00 0.00 C ATOM 216 CG GLU A 13 1.511 10.673 -2.886 1.00 0.00 C ATOM 217 CD GLU A 13 1.155 12.043 -3.416 1.00 0.00 C ATOM 218 OE1 GLU A 13 1.389 13.044 -2.710 1.00 0.00 O ATOM 219 OE2 GLU A 13 0.637 12.125 -4.552 1.00 0.00 O ATOM 0 H GLU A 13 -0.796 8.095 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 13 1.864 8.547 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.401 10.450 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.900 10.845 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.557 10.670 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.413 9.942 -3.689 1.00 0.00 H new ATOM 226 N MET A 14 0.957 8.249 1.000 1.00 0.00 N ATOM 227 CA MET A 14 0.464 7.780 2.281 1.00 0.00 C ATOM 228 C MET A 14 0.714 8.812 3.358 1.00 0.00 C ATOM 229 O MET A 14 1.521 9.729 3.190 1.00 0.00 O ATOM 230 CB MET A 14 1.134 6.460 2.696 1.00 0.00 C ATOM 231 CG MET A 14 0.844 5.277 1.781 1.00 0.00 C ATOM 232 SD MET A 14 1.675 5.390 0.186 1.00 0.00 S ATOM 233 CE MET A 14 3.387 5.525 0.702 1.00 0.00 C ATOM 0 H MET A 14 1.963 8.417 0.970 1.00 0.00 H new ATOM 0 HA MET A 14 -0.607 7.613 2.168 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.212 6.614 2.736 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.811 6.207 3.706 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.152 4.357 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.232 5.207 1.619 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.023 4.992 -0.005 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.677 6.575 0.730 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.503 5.090 1.695 1.00 0.00 H new ATOM 243 N ALA A 15 0.021 8.645 4.463 1.00 0.00 N ATOM 244 CA ALA A 15 0.213 9.488 5.621 1.00 0.00 C ATOM 245 C ALA A 15 0.572 8.623 6.816 1.00 0.00 C ATOM 246 O ALA A 15 1.553 8.878 7.515 1.00 0.00 O ATOM 247 CB ALA A 15 -1.041 10.294 5.880 1.00 0.00 C ATOM 0 H ALA A 15 -0.689 7.923 4.583 1.00 0.00 H new ATOM 0 HA ALA A 15 1.030 10.187 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.892 10.928 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.259 10.917 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.877 9.618 6.060 1.00 0.00 H new ATOM 253 N ALA A 16 -0.221 7.584 7.029 1.00 0.00 N ATOM 254 CA ALA A 16 0.082 6.585 8.039 1.00 0.00 C ATOM 255 C ALA A 16 0.402 5.254 7.368 1.00 0.00 C ATOM 256 O ALA A 16 -0.480 4.424 7.154 1.00 0.00 O ATOM 257 CB ALA A 16 -1.074 6.437 9.019 1.00 0.00 C ATOM 0 H ALA A 16 -1.083 7.411 6.512 1.00 0.00 H new ATOM 0 HA ALA A 16 0.955 6.910 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.824 5.683 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.256 7.391 9.513 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.971 6.130 8.480 1.00 0.00 H new ATOM 263 N TYR A 17 1.658 5.093 6.981 1.00 0.00 N ATOM 264 CA TYR A 17 2.126 3.863 6.357 1.00 0.00 C ATOM 265 C TYR A 17 2.929 3.044 7.358 1.00 0.00 C ATOM 266 O TYR A 17 4.061 3.397 7.693 1.00 0.00 O ATOM 267 CB TYR A 17 2.990 4.195 5.130 1.00 0.00 C ATOM 268 CG TYR A 17 3.565 2.990 4.408 1.00 0.00 C ATOM 269 CD1 TYR A 17 2.767 2.186 3.600 1.00 0.00 C ATOM 270 CD2 TYR A 17 4.915 2.668 4.521 1.00 0.00 C ATOM 271 CE1 TYR A 17 3.297 1.098 2.929 1.00 0.00 C ATOM 272 CE2 TYR A 17 5.449 1.583 3.848 1.00 0.00 C ATOM 273 CZ TYR A 17 4.636 0.802 3.057 1.00 0.00 C ATOM 274 OH TYR A 17 5.164 -0.270 2.376 1.00 0.00 O ATOM 0 H TYR A 17 2.379 5.806 7.089 1.00 0.00 H new ATOM 0 HA TYR A 17 1.265 3.277 6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.389 4.770 4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.812 4.837 5.446 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.717 2.415 3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.556 3.275 5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.663 0.483 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.499 1.350 3.943 1.00 0.00 H new ATOM 0 HH TYR A 17 5.789 -0.751 2.958 1.00 0.00 H new ATOM 284 N GLN A 18 2.336 1.975 7.864 1.00 0.00 N ATOM 285 CA GLN A 18 3.034 1.075 8.755 1.00 0.00 C ATOM 286 C GLN A 18 3.231 -0.271 8.076 1.00 0.00 C ATOM 287 O GLN A 18 2.350 -0.753 7.363 1.00 0.00 O ATOM 288 CB GLN A 18 2.266 0.913 10.064 1.00 0.00 C ATOM 289 CG GLN A 18 0.846 0.400 9.903 1.00 0.00 C ATOM 290 CD GLN A 18 0.105 0.314 11.222 1.00 0.00 C ATOM 291 OE1 GLN A 18 0.424 1.212 12.141 1.00 0.00 O flip ATOM 292 NE2 GLN A 18 -0.746 -0.550 11.413 1.00 0.00 N flip ATOM 0 H GLN A 18 1.370 1.712 7.670 1.00 0.00 H new ATOM 0 HA GLN A 18 4.012 1.496 8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.815 0.228 10.710 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.235 1.876 10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.301 1.058 9.226 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.870 -0.586 9.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.963 -1.224 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.237 -0.594 12.306 1.00 0.00 H new ATOM 301 N GLU A 19 4.383 -0.880 8.290 1.00 0.00 N ATOM 302 CA GLU A 19 4.737 -2.081 7.559 1.00 0.00 C ATOM 303 C GLU A 19 5.529 -3.062 8.408 1.00 0.00 C ATOM 304 O GLU A 19 6.428 -2.679 9.162 1.00 0.00 O ATOM 305 CB GLU A 19 5.547 -1.703 6.324 1.00 0.00 C ATOM 306 CG GLU A 19 6.224 -2.877 5.641 1.00 0.00 C ATOM 307 CD GLU A 19 7.337 -2.438 4.722 1.00 0.00 C ATOM 308 OE1 GLU A 19 7.042 -2.029 3.581 1.00 0.00 O ATOM 309 OE2 GLU A 19 8.516 -2.516 5.136 1.00 0.00 O ATOM 0 H GLU A 19 5.085 -0.565 8.960 1.00 0.00 H new ATOM 0 HA GLU A 19 3.810 -2.575 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.889 -1.211 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.307 -0.976 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.624 -3.553 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.484 -3.439 5.070 1.00 0.00 H new ATOM 316 N GLU A 20 5.173 -4.324 8.270 1.00 0.00 N ATOM 317 CA GLU A 20 5.961 -5.417 8.804 1.00 0.00 C ATOM 318 C GLU A 20 6.859 -5.938 7.699 1.00 0.00 C ATOM 319 O GLU A 20 6.401 -6.569 6.751 1.00 0.00 O ATOM 320 CB GLU A 20 5.060 -6.524 9.357 1.00 0.00 C ATOM 321 CG GLU A 20 4.258 -6.087 10.573 1.00 0.00 C ATOM 322 CD GLU A 20 3.417 -7.201 11.166 1.00 0.00 C ATOM 323 OE1 GLU A 20 3.886 -8.354 11.200 1.00 0.00 O ATOM 324 OE2 GLU A 20 2.282 -6.921 11.612 1.00 0.00 O ATOM 0 H GLU A 20 4.327 -4.621 7.783 1.00 0.00 H new ATOM 0 HA GLU A 20 6.571 -5.064 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.375 -6.851 8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.673 -7.385 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.941 -5.711 11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.607 -5.259 10.292 1.00 0.00 H new ATOM 331 N SER A 21 8.134 -5.621 7.804 1.00 0.00 N ATOM 332 CA SER A 21 9.075 -5.915 6.741 1.00 0.00 C ATOM 333 C SER A 21 9.537 -7.369 6.779 1.00 0.00 C ATOM 334 O SER A 21 9.883 -7.936 5.741 1.00 0.00 O ATOM 335 CB SER A 21 10.282 -4.983 6.856 1.00 0.00 C ATOM 336 OG SER A 21 9.872 -3.648 7.112 1.00 0.00 O ATOM 0 H SER A 21 8.543 -5.159 8.616 1.00 0.00 H new ATOM 0 HA SER A 21 8.569 -5.754 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.936 -5.326 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.862 -5.018 5.934 1.00 0.00 H new ATOM 0 HG SER A 21 9.614 -3.218 6.270 1.00 0.00 H new ATOM 342 N GLU A 22 9.541 -7.988 7.959 1.00 0.00 N ATOM 343 CA GLU A 22 10.163 -9.312 8.066 1.00 0.00 C ATOM 344 C GLU A 22 9.542 -10.315 8.997 1.00 0.00 C ATOM 345 O GLU A 22 10.126 -11.381 9.179 1.00 0.00 O ATOM 346 CB GLU A 22 11.637 -9.206 8.402 1.00 0.00 C ATOM 347 CG GLU A 22 12.072 -7.827 8.858 1.00 0.00 C ATOM 348 CD GLU A 22 13.488 -7.499 8.444 1.00 0.00 C ATOM 349 OE1 GLU A 22 14.425 -7.807 9.208 1.00 0.00 O ATOM 350 OE2 GLU A 22 13.672 -6.934 7.345 1.00 0.00 O ATOM 0 H GLU A 22 9.140 -7.617 8.821 1.00 0.00 H new ATOM 0 HA GLU A 22 9.987 -9.709 7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.873 -9.927 9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.219 -9.487 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.394 -7.081 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.991 -7.765 9.943 1.00 0.00 H new ATOM 357 N PRO A 23 8.405 -10.085 9.617 1.00 0.00 N ATOM 358 CA PRO A 23 7.684 -11.220 10.096 1.00 0.00 C ATOM 359 C PRO A 23 6.902 -11.828 8.940 1.00 0.00 C ATOM 360 O PRO A 23 6.754 -13.045 8.809 1.00 0.00 O ATOM 361 CB PRO A 23 6.751 -10.656 11.166 1.00 0.00 C ATOM 362 CG PRO A 23 7.109 -9.207 11.304 1.00 0.00 C ATOM 363 CD PRO A 23 7.799 -8.820 10.030 1.00 0.00 C ATOM 0 HA PRO A 23 8.321 -12.006 10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.707 -10.774 10.875 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.880 -11.182 12.112 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.218 -8.600 11.463 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.761 -9.048 12.163 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.099 -8.441 9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.546 -8.043 10.190 1.00 0.00 H new ATOM 371 N LYS A 24 6.442 -10.915 8.105 1.00 0.00 N ATOM 372 CA LYS A 24 5.696 -11.180 6.892 1.00 0.00 C ATOM 373 C LYS A 24 5.396 -9.827 6.294 1.00 0.00 C ATOM 374 O LYS A 24 5.113 -8.894 7.042 1.00 0.00 O ATOM 375 CB LYS A 24 4.391 -11.924 7.176 1.00 0.00 C ATOM 376 CG LYS A 24 3.567 -12.216 5.927 1.00 0.00 C ATOM 377 CD LYS A 24 2.230 -12.848 6.273 1.00 0.00 C ATOM 378 CE LYS A 24 1.314 -12.934 5.058 1.00 0.00 C ATOM 379 NZ LYS A 24 1.866 -13.810 3.991 1.00 0.00 N ATOM 0 H LYS A 24 6.587 -9.918 8.264 1.00 0.00 H new ATOM 0 HA LYS A 24 6.272 -11.816 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.621 -12.864 7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.790 -11.334 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.401 -11.290 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.126 -12.882 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.394 -13.847 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.743 -12.265 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.340 -13.313 5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.154 -11.934 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.422 -13.571 3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.894 -13.668 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.668 -14.805 4.222 1.00 0.00 H new ATOM 393 N ARG A 25 5.471 -9.698 4.987 1.00 0.00 N ATOM 394 CA ARG A 25 5.233 -8.411 4.352 1.00 0.00 C ATOM 395 C ARG A 25 3.773 -8.001 4.491 1.00 0.00 C ATOM 396 O ARG A 25 2.925 -8.344 3.667 1.00 0.00 O ATOM 397 CB ARG A 25 5.663 -8.423 2.885 1.00 0.00 C ATOM 398 CG ARG A 25 7.158 -8.236 2.692 1.00 0.00 C ATOM 399 CD ARG A 25 7.600 -6.842 3.111 1.00 0.00 C ATOM 400 NE ARG A 25 9.040 -6.654 2.951 1.00 0.00 N ATOM 401 CZ ARG A 25 9.642 -5.464 2.925 1.00 0.00 C ATOM 402 NH1 ARG A 25 8.921 -4.354 3.003 1.00 0.00 N ATOM 403 NH2 ARG A 25 10.963 -5.393 2.817 1.00 0.00 N ATOM 0 H ARG A 25 5.693 -10.458 4.344 1.00 0.00 H new ATOM 0 HA ARG A 25 5.844 -7.669 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.362 -9.368 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.134 -7.633 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.698 -8.982 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.415 -8.402 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.069 -6.099 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.326 -6.672 4.152 1.00 0.00 H new ATOM 0 HE ARG A 25 9.622 -7.486 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.906 -4.410 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.382 -3.444 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.516 -6.248 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.425 -4.484 2.797 1.00 0.00 H new ATOM 417 N LYS A 26 3.490 -7.307 5.577 1.00 0.00 N ATOM 418 CA LYS A 26 2.166 -6.785 5.844 1.00 0.00 C ATOM 419 C LYS A 26 2.217 -5.268 5.847 1.00 0.00 C ATOM 420 O LYS A 26 2.747 -4.654 6.774 1.00 0.00 O ATOM 421 CB LYS A 26 1.643 -7.313 7.186 1.00 0.00 C ATOM 422 CG LYS A 26 0.322 -6.716 7.621 1.00 0.00 C ATOM 423 CD LYS A 26 0.525 -5.776 8.790 1.00 0.00 C ATOM 424 CE LYS A 26 -0.784 -5.318 9.390 1.00 0.00 C ATOM 425 NZ LYS A 26 -1.616 -6.453 9.867 1.00 0.00 N ATOM 0 H LYS A 26 4.175 -7.089 6.300 1.00 0.00 H new ATOM 0 HA LYS A 26 1.482 -7.117 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.534 -8.395 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.389 -7.115 7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.132 -6.178 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.368 -7.511 7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.119 -6.275 9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.095 -4.907 8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.583 -4.643 10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.342 -4.749 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.147 -6.163 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.282 -6.733 9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.002 -7.258 10.103 1.00 0.00 H new ATOM 439 N ILE A 27 1.695 -4.672 4.795 1.00 0.00 N ATOM 440 CA ILE A 27 1.667 -3.225 4.685 1.00 0.00 C ATOM 441 C ILE A 27 0.281 -2.698 5.022 1.00 0.00 C ATOM 442 O ILE A 27 -0.704 -3.052 4.381 1.00 0.00 O ATOM 443 CB ILE A 27 2.095 -2.742 3.280 1.00 0.00 C ATOM 444 CG1 ILE A 27 1.280 -3.439 2.189 1.00 0.00 C ATOM 445 CG2 ILE A 27 3.578 -2.994 3.077 1.00 0.00 C ATOM 446 CD1 ILE A 27 1.576 -2.940 0.791 1.00 0.00 C ATOM 0 H ILE A 27 1.284 -5.166 4.003 1.00 0.00 H new ATOM 0 HA ILE A 27 2.388 -2.829 5.401 1.00 0.00 H new ATOM 0 HB ILE A 27 1.903 -1.671 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.476 -4.510 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.219 -3.300 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.873 -2.651 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.146 -2.451 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.782 -4.061 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.960 -3.482 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.353 -1.875 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.629 -3.104 0.562 1.00 0.00 H new ATOM 458 N ALA A 28 0.212 -1.880 6.056 1.00 0.00 N ATOM 459 CA ALA A 28 -1.043 -1.294 6.489 1.00 0.00 C ATOM 460 C ALA A 28 -0.967 0.216 6.364 1.00 0.00 C ATOM 461 O ALA A 28 -0.186 0.866 7.060 1.00 0.00 O ATOM 462 CB ALA A 28 -1.351 -1.695 7.926 1.00 0.00 C ATOM 0 H ALA A 28 1.019 -1.604 6.616 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.848 -1.665 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.296 -1.247 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.425 -2.780 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.553 -1.345 8.580 1.00 0.00 H new ATOM 468 N PHE A 29 -1.748 0.776 5.466 1.00 0.00 N ATOM 469 CA PHE A 29 -1.701 2.206 5.238 1.00 0.00 C ATOM 470 C PHE A 29 -3.076 2.834 5.412 1.00 0.00 C ATOM 471 O PHE A 29 -4.086 2.292 4.957 1.00 0.00 O ATOM 472 CB PHE A 29 -1.120 2.521 3.850 1.00 0.00 C ATOM 473 CG PHE A 29 -1.839 1.865 2.703 1.00 0.00 C ATOM 474 CD1 PHE A 29 -1.459 0.607 2.261 1.00 0.00 C ATOM 475 CD2 PHE A 29 -2.887 2.506 2.064 1.00 0.00 C ATOM 476 CE1 PHE A 29 -2.110 0.002 1.205 1.00 0.00 C ATOM 477 CE2 PHE A 29 -3.542 1.907 1.006 1.00 0.00 C ATOM 478 CZ PHE A 29 -3.155 0.653 0.576 1.00 0.00 C ATOM 0 H PHE A 29 -2.417 0.270 4.886 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.040 2.644 5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.136 3.601 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.075 2.212 3.830 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.643 0.094 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.196 3.486 2.397 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.804 -0.978 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.356 2.419 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.667 0.182 -0.250 1.00 0.00 H new ATOM 488 N THR A 30 -3.104 3.959 6.103 1.00 0.00 N ATOM 489 CA THR A 30 -4.321 4.725 6.274 1.00 0.00 C ATOM 490 C THR A 30 -4.391 5.825 5.219 1.00 0.00 C ATOM 491 O THR A 30 -3.669 6.825 5.298 1.00 0.00 O ATOM 492 CB THR A 30 -4.393 5.352 7.682 1.00 0.00 C ATOM 493 OG1 THR A 30 -4.215 4.338 8.678 1.00 0.00 O ATOM 494 CG2 THR A 30 -5.728 6.040 7.905 1.00 0.00 C ATOM 0 H THR A 30 -2.287 4.365 6.559 1.00 0.00 H new ATOM 0 HA THR A 30 -5.167 4.048 6.157 1.00 0.00 H new ATOM 0 HB THR A 30 -3.598 6.094 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.260 4.743 9.569 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.752 6.473 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.859 6.829 7.165 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.533 5.312 7.806 1.00 0.00 H new ATOM 502 N LEU A 31 -5.229 5.615 4.215 1.00 0.00 N ATOM 503 CA LEU A 31 -5.402 6.578 3.138 1.00 0.00 C ATOM 504 C LEU A 31 -6.597 7.470 3.448 1.00 0.00 C ATOM 505 O LEU A 31 -7.742 7.032 3.372 1.00 0.00 O ATOM 506 CB LEU A 31 -5.619 5.838 1.807 1.00 0.00 C ATOM 507 CG LEU A 31 -5.287 6.616 0.522 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.452 5.717 -0.693 1.00 0.00 C ATOM 509 CD2 LEU A 31 -6.158 7.854 0.375 1.00 0.00 C ATOM 0 H LEU A 31 -5.805 4.778 4.124 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.508 7.195 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.016 4.930 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.663 5.527 1.757 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.250 6.943 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.214 6.279 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.779 4.864 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.481 5.363 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.894 8.377 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.207 7.559 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.998 8.515 1.227 1.00 0.00 H new ATOM 521 N ASN A 32 -6.331 8.714 3.803 1.00 0.00 N ATOM 522 CA ASN A 32 -7.391 9.647 4.128 1.00 0.00 C ATOM 523 C ASN A 32 -8.080 10.147 2.860 1.00 0.00 C ATOM 524 O ASN A 32 -7.592 11.045 2.178 1.00 0.00 O ATOM 525 CB ASN A 32 -6.856 10.820 4.966 1.00 0.00 C ATOM 526 CG ASN A 32 -5.704 11.577 4.316 1.00 0.00 C ATOM 527 OD1 ASN A 32 -4.880 11.005 3.598 1.00 0.00 O ATOM 528 ND2 ASN A 32 -5.637 12.875 4.577 1.00 0.00 N ATOM 0 H ASN A 32 -5.390 9.100 3.873 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.132 9.120 4.729 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.672 11.517 5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -6.527 10.441 5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.885 13.437 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.338 13.312 5.176 1.00 0.00 H new ATOM 535 N VAL A 33 -9.204 9.522 2.533 1.00 0.00 N ATOM 536 CA VAL A 33 -9.998 9.911 1.379 1.00 0.00 C ATOM 537 C VAL A 33 -10.519 11.328 1.540 1.00 0.00 C ATOM 538 O VAL A 33 -11.219 11.628 2.501 1.00 0.00 O ATOM 539 CB VAL A 33 -11.186 8.953 1.148 1.00 0.00 C ATOM 540 CG1 VAL A 33 -12.183 9.519 0.143 1.00 0.00 C ATOM 541 CG2 VAL A 33 -10.673 7.614 0.670 1.00 0.00 C ATOM 0 H VAL A 33 -9.588 8.736 3.058 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.342 9.859 0.510 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.709 8.831 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.004 8.815 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.575 10.466 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.684 9.681 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.513 6.939 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.128 7.746 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.007 7.190 1.422 1.00 0.00 H new ATOM 551 N THR A 34 -10.143 12.194 0.619 1.00 0.00 N ATOM 552 CA THR A 34 -10.653 13.549 0.590 1.00 0.00 C ATOM 553 C THR A 34 -11.317 13.819 -0.753 1.00 0.00 C ATOM 554 O THR A 34 -11.010 13.148 -1.744 1.00 0.00 O ATOM 555 CB THR A 34 -9.528 14.572 0.825 1.00 0.00 C ATOM 556 OG1 THR A 34 -8.446 14.321 -0.083 1.00 0.00 O ATOM 557 CG2 THR A 34 -9.020 14.508 2.260 1.00 0.00 C ATOM 0 H THR A 34 -9.480 11.979 -0.125 1.00 0.00 H new ATOM 0 HA THR A 34 -11.384 13.655 1.391 1.00 0.00 H new ATOM 0 HB THR A 34 -9.931 15.569 0.648 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.733 14.976 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.226 15.241 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.839 14.726 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.632 13.510 2.464 1.00 0.00 H new ATOM 565 N SER A 35 -12.196 14.813 -0.799 1.00 0.00 N ATOM 566 CA SER A 35 -12.956 15.125 -2.007 1.00 0.00 C ATOM 567 C SER A 35 -12.058 15.662 -3.129 1.00 0.00 C ATOM 568 O SER A 35 -12.542 16.048 -4.192 1.00 0.00 O ATOM 569 CB SER A 35 -14.051 16.141 -1.678 1.00 0.00 C ATOM 570 OG SER A 35 -14.843 15.700 -0.586 1.00 0.00 O ATOM 0 H SER A 35 -12.402 15.422 -0.007 1.00 0.00 H new ATOM 0 HA SER A 35 -13.406 14.200 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.599 17.103 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.684 16.295 -2.552 1.00 0.00 H new ATOM 0 HG SER A 35 -15.535 16.367 -0.393 1.00 0.00 H new ATOM 576 N GLU A 36 -10.752 15.667 -2.895 1.00 0.00 N ATOM 577 CA GLU A 36 -9.797 16.124 -3.891 1.00 0.00 C ATOM 578 C GLU A 36 -9.584 15.051 -4.955 1.00 0.00 C ATOM 579 O GLU A 36 -9.221 15.351 -6.092 1.00 0.00 O ATOM 580 CB GLU A 36 -8.460 16.463 -3.227 1.00 0.00 C ATOM 581 CG GLU A 36 -8.587 17.358 -2.000 1.00 0.00 C ATOM 582 CD GLU A 36 -9.383 18.613 -2.274 1.00 0.00 C ATOM 583 OE1 GLU A 36 -8.880 19.494 -3.001 1.00 0.00 O ATOM 584 OE2 GLU A 36 -10.515 18.727 -1.759 1.00 0.00 O ATOM 0 H GLU A 36 -10.330 15.358 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.198 17.020 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.964 15.536 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.817 16.954 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.064 16.799 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.592 17.633 -1.651 1.00 0.00 H new ATOM 591 N THR A 37 -9.808 13.797 -4.578 1.00 0.00 N ATOM 592 CA THR A 37 -9.595 12.678 -5.488 1.00 0.00 C ATOM 593 C THR A 37 -10.359 11.438 -5.002 1.00 0.00 C ATOM 594 O THR A 37 -10.045 10.302 -5.370 1.00 0.00 O ATOM 595 CB THR A 37 -8.081 12.370 -5.620 1.00 0.00 C ATOM 596 OG1 THR A 37 -7.857 11.352 -6.601 1.00 0.00 O ATOM 597 CG2 THR A 37 -7.487 11.937 -4.282 1.00 0.00 C ATOM 0 H THR A 37 -10.137 13.530 -3.650 1.00 0.00 H new ATOM 0 HA THR A 37 -9.977 12.952 -6.471 1.00 0.00 H new ATOM 0 HB THR A 37 -7.585 13.287 -5.938 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.534 10.650 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.424 11.728 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.617 12.735 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.995 11.038 -3.932 1.00 0.00 H new ATOM 605 N TYR A 38 -11.403 11.678 -4.216 1.00 0.00 N ATOM 606 CA TYR A 38 -12.144 10.607 -3.565 1.00 0.00 C ATOM 607 C TYR A 38 -12.849 9.708 -4.576 1.00 0.00 C ATOM 608 O TYR A 38 -13.010 8.516 -4.340 1.00 0.00 O ATOM 609 CB TYR A 38 -13.171 11.194 -2.587 1.00 0.00 C ATOM 610 CG TYR A 38 -14.467 11.634 -3.231 1.00 0.00 C ATOM 611 CD1 TYR A 38 -14.542 12.802 -3.980 1.00 0.00 C ATOM 612 CD2 TYR A 38 -15.619 10.873 -3.088 1.00 0.00 C ATOM 613 CE1 TYR A 38 -15.725 13.192 -4.576 1.00 0.00 C ATOM 614 CE2 TYR A 38 -16.803 11.258 -3.676 1.00 0.00 C ATOM 615 CZ TYR A 38 -16.853 12.417 -4.417 1.00 0.00 C ATOM 616 OH TYR A 38 -18.033 12.798 -5.013 1.00 0.00 O ATOM 0 H TYR A 38 -11.756 12.613 -4.014 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.425 9.996 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -13.394 10.449 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -12.724 12.048 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -13.661 13.415 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -15.586 9.964 -2.506 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -15.766 14.098 -5.163 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -17.689 10.653 -3.556 1.00 0.00 H new ATOM 0 HH TYR A 38 -18.731 12.143 -4.804 1.00 0.00 H new ATOM 626 N HIS A 39 -13.259 10.277 -5.706 1.00 0.00 N ATOM 627 CA HIS A 39 -14.056 9.541 -6.684 1.00 0.00 C ATOM 628 C HIS A 39 -13.214 8.486 -7.395 1.00 0.00 C ATOM 629 O HIS A 39 -13.740 7.492 -7.888 1.00 0.00 O ATOM 630 CB HIS A 39 -14.678 10.511 -7.694 1.00 0.00 C ATOM 631 CG HIS A 39 -15.645 9.875 -8.653 1.00 0.00 C ATOM 632 ND1 HIS A 39 -16.954 9.587 -8.330 1.00 0.00 N ATOM 633 CD2 HIS A 39 -15.486 9.484 -9.939 1.00 0.00 C ATOM 634 CE1 HIS A 39 -17.555 9.049 -9.375 1.00 0.00 C ATOM 635 NE2 HIS A 39 -16.688 8.977 -10.367 1.00 0.00 N ATOM 0 H HIS A 39 -13.054 11.241 -5.967 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.858 9.025 -6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.193 11.302 -7.149 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -13.879 10.985 -8.264 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -14.580 9.557 -10.522 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -18.584 8.723 -9.412 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -16.879 8.606 -11.298 1.00 0.00 H new ATOM 644 N ASP A 40 -11.907 8.696 -7.428 1.00 0.00 N ATOM 645 CA ASP A 40 -10.998 7.743 -8.055 1.00 0.00 C ATOM 646 C ASP A 40 -10.728 6.588 -7.095 1.00 0.00 C ATOM 647 O ASP A 40 -10.728 5.415 -7.478 1.00 0.00 O ATOM 648 CB ASP A 40 -9.688 8.439 -8.436 1.00 0.00 C ATOM 649 CG ASP A 40 -8.822 7.609 -9.365 1.00 0.00 C ATOM 650 OD1 ASP A 40 -9.052 7.659 -10.593 1.00 0.00 O ATOM 651 OD2 ASP A 40 -7.901 6.926 -8.881 1.00 0.00 O ATOM 0 H ASP A 40 -11.450 9.516 -7.029 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.456 7.350 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.915 9.391 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.126 8.664 -7.530 1.00 0.00 H new ATOM 656 N ILE A 41 -10.544 6.935 -5.828 1.00 0.00 N ATOM 657 CA ILE A 41 -10.294 5.952 -4.780 1.00 0.00 C ATOM 658 C ILE A 41 -11.588 5.211 -4.426 1.00 0.00 C ATOM 659 O ILE A 41 -11.571 4.159 -3.797 1.00 0.00 O ATOM 660 CB ILE A 41 -9.721 6.635 -3.516 1.00 0.00 C ATOM 661 CG1 ILE A 41 -8.587 7.587 -3.905 1.00 0.00 C ATOM 662 CG2 ILE A 41 -9.222 5.593 -2.520 1.00 0.00 C ATOM 663 CD1 ILE A 41 -8.094 8.447 -2.764 1.00 0.00 C ATOM 0 H ILE A 41 -10.563 7.900 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.562 5.235 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.516 7.208 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.753 7.003 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.929 8.233 -4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.823 6.094 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.048 4.945 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.438 4.994 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.291 9.094 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.915 9.058 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.720 7.809 -1.963 1.00 0.00 H new ATOM 675 N ALA A 42 -12.716 5.766 -4.853 1.00 0.00 N ATOM 676 CA ALA A 42 -14.007 5.114 -4.668 1.00 0.00 C ATOM 677 C ALA A 42 -14.191 4.004 -5.690 1.00 0.00 C ATOM 678 O ALA A 42 -15.197 3.300 -5.694 1.00 0.00 O ATOM 679 CB ALA A 42 -15.139 6.120 -4.773 1.00 0.00 C ATOM 0 H ALA A 42 -12.763 6.666 -5.330 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.028 4.678 -3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.092 5.611 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -15.019 6.885 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.120 6.588 -5.757 1.00 0.00 H new ATOM 685 N VAL A 43 -13.223 3.878 -6.579 1.00 0.00 N ATOM 686 CA VAL A 43 -13.182 2.765 -7.506 1.00 0.00 C ATOM 687 C VAL A 43 -12.135 1.766 -7.025 1.00 0.00 C ATOM 688 O VAL A 43 -12.324 0.548 -7.100 1.00 0.00 O ATOM 689 CB VAL A 43 -12.847 3.227 -8.941 1.00 0.00 C ATOM 690 CG1 VAL A 43 -12.976 2.076 -9.922 1.00 0.00 C ATOM 691 CG2 VAL A 43 -13.740 4.384 -9.358 1.00 0.00 C ATOM 0 H VAL A 43 -12.451 4.537 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.168 2.301 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.813 3.571 -8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.735 2.425 -10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.288 1.279 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -13.998 1.696 -9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.486 4.693 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.783 4.069 -9.325 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.592 5.222 -8.676 1.00 0.00 H new ATOM 701 N LEU A 44 -11.034 2.301 -6.513 1.00 0.00 N ATOM 702 CA LEU A 44 -9.979 1.488 -5.925 1.00 0.00 C ATOM 703 C LEU A 44 -10.222 1.313 -4.430 1.00 0.00 C ATOM 704 O LEU A 44 -9.712 2.078 -3.613 1.00 0.00 O ATOM 705 CB LEU A 44 -8.606 2.132 -6.159 1.00 0.00 C ATOM 706 CG LEU A 44 -7.995 1.921 -7.551 1.00 0.00 C ATOM 707 CD1 LEU A 44 -7.881 0.441 -7.856 1.00 0.00 C ATOM 708 CD2 LEU A 44 -8.809 2.627 -8.626 1.00 0.00 C ATOM 0 H LEU A 44 -10.848 3.304 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.991 0.510 -6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.694 3.204 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.911 1.741 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.996 2.358 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.446 0.306 -8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.243 -0.036 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.871 -0.013 -7.830 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.350 2.458 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.825 2.233 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.836 3.697 -8.418 1.00 0.00 H new ATOM 720 N LEU A 45 -10.993 0.297 -4.071 1.00 0.00 N ATOM 721 CA LEU A 45 -11.390 0.103 -2.699 1.00 0.00 C ATOM 722 C LEU A 45 -11.329 -1.370 -2.346 1.00 0.00 C ATOM 723 O LEU A 45 -12.053 -2.199 -2.898 1.00 0.00 O ATOM 724 CB LEU A 45 -12.789 0.697 -2.432 1.00 0.00 C ATOM 725 CG LEU A 45 -13.975 0.025 -3.144 1.00 0.00 C ATOM 726 CD1 LEU A 45 -14.645 -1.004 -2.242 1.00 0.00 C ATOM 727 CD2 LEU A 45 -14.988 1.066 -3.587 1.00 0.00 C ATOM 0 H LEU A 45 -11.353 -0.404 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.692 0.637 -2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -12.973 0.662 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.772 1.748 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.588 -0.490 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -15.480 -1.463 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.923 -1.773 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.013 -0.513 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -15.821 0.573 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -15.358 1.607 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.513 1.766 -4.274 1.00 0.00 H new ATOM 739 N TYR A 46 -10.374 -1.680 -1.493 1.00 0.00 N ATOM 740 CA TYR A 46 -10.259 -2.995 -0.863 1.00 0.00 C ATOM 741 C TYR A 46 -9.718 -4.038 -1.840 1.00 0.00 C ATOM 742 O TYR A 46 -8.557 -4.423 -1.741 1.00 0.00 O ATOM 743 CB TYR A 46 -11.612 -3.439 -0.299 1.00 0.00 C ATOM 744 CG TYR A 46 -11.581 -3.798 1.169 1.00 0.00 C ATOM 745 CD1 TYR A 46 -11.234 -2.852 2.128 1.00 0.00 C ATOM 746 CD2 TYR A 46 -11.908 -5.076 1.596 1.00 0.00 C ATOM 747 CE1 TYR A 46 -11.215 -3.172 3.472 1.00 0.00 C ATOM 748 CE2 TYR A 46 -11.893 -5.403 2.939 1.00 0.00 C ATOM 749 CZ TYR A 46 -11.546 -4.447 3.873 1.00 0.00 C ATOM 750 OH TYR A 46 -11.530 -4.771 5.211 1.00 0.00 O ATOM 0 H TYR A 46 -9.645 -1.025 -1.210 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.548 -2.909 -0.042 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.337 -2.639 -0.451 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -11.964 -4.301 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.975 -1.851 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.178 -5.827 0.869 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.942 -2.426 4.204 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.152 -6.402 3.257 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.279 -5.713 5.317 1.00 0.00 H new ATOM 760 N GLU A 47 -10.559 -4.457 -2.796 1.00 0.00 N ATOM 761 CA GLU A 47 -10.218 -5.521 -3.744 1.00 0.00 C ATOM 762 C GLU A 47 -9.598 -6.707 -3.007 1.00 0.00 C ATOM 763 O GLU A 47 -10.194 -7.227 -2.064 1.00 0.00 O ATOM 764 CB GLU A 47 -9.265 -5.000 -4.827 1.00 0.00 C ATOM 765 CG GLU A 47 -9.807 -3.816 -5.621 1.00 0.00 C ATOM 766 CD GLU A 47 -11.072 -4.157 -6.382 1.00 0.00 C ATOM 767 OE1 GLU A 47 -10.971 -4.736 -7.483 1.00 0.00 O ATOM 768 OE2 GLU A 47 -12.174 -3.848 -5.886 1.00 0.00 O ATOM 0 H GLU A 47 -11.492 -4.067 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.134 -5.855 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.325 -4.709 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.039 -5.813 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.008 -2.988 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.046 -3.474 -6.323 1.00 0.00 H new ATOM 775 N LYS A 48 -8.410 -7.130 -3.445 1.00 0.00 N ATOM 776 CA LYS A 48 -7.633 -8.124 -2.713 1.00 0.00 C ATOM 777 C LYS A 48 -6.233 -8.288 -3.304 1.00 0.00 C ATOM 778 O LYS A 48 -5.243 -8.195 -2.583 1.00 0.00 O ATOM 779 CB LYS A 48 -8.363 -9.474 -2.623 1.00 0.00 C ATOM 780 CG LYS A 48 -8.700 -10.133 -3.950 1.00 0.00 C ATOM 781 CD LYS A 48 -9.659 -11.293 -3.726 1.00 0.00 C ATOM 782 CE LYS A 48 -9.874 -12.122 -4.982 1.00 0.00 C ATOM 783 NZ LYS A 48 -8.617 -12.755 -5.456 1.00 0.00 N ATOM 0 H LYS A 48 -7.968 -6.798 -4.302 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.521 -7.751 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.746 -10.161 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.288 -9.329 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.150 -9.404 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.789 -10.491 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.271 -11.933 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.618 -10.906 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.616 -12.895 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.279 -11.487 -5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.844 -13.523 -6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.030 -12.044 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.096 -13.142 -4.644 1.00 0.00 H new ATOM 797 N THR A 49 -6.136 -8.507 -4.607 1.00 0.00 N ATOM 798 CA THR A 49 -4.839 -8.710 -5.240 1.00 0.00 C ATOM 799 C THR A 49 -4.254 -7.399 -5.750 1.00 0.00 C ATOM 800 O THR A 49 -4.827 -6.754 -6.628 1.00 0.00 O ATOM 801 CB THR A 49 -4.937 -9.705 -6.407 1.00 0.00 C ATOM 802 OG1 THR A 49 -6.006 -9.320 -7.280 1.00 0.00 O ATOM 803 CG2 THR A 49 -5.162 -11.121 -5.896 1.00 0.00 C ATOM 0 H THR A 49 -6.932 -8.549 -5.243 1.00 0.00 H new ATOM 0 HA THR A 49 -4.179 -9.118 -4.475 1.00 0.00 H new ATOM 0 HB THR A 49 -3.996 -9.689 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.962 -8.355 -7.446 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.228 -11.807 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.330 -11.413 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.090 -11.159 -5.325 1.00 0.00 H new ATOM 811 N PHE A 50 -3.121 -7.007 -5.186 1.00 0.00 N ATOM 812 CA PHE A 50 -2.422 -5.806 -5.619 1.00 0.00 C ATOM 813 C PHE A 50 -0.961 -6.109 -5.907 1.00 0.00 C ATOM 814 O PHE A 50 -0.252 -6.647 -5.056 1.00 0.00 O ATOM 815 CB PHE A 50 -2.504 -4.710 -4.552 1.00 0.00 C ATOM 816 CG PHE A 50 -3.883 -4.170 -4.336 1.00 0.00 C ATOM 817 CD1 PHE A 50 -4.377 -3.165 -5.149 1.00 0.00 C ATOM 818 CD2 PHE A 50 -4.685 -4.662 -3.320 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.647 -2.662 -4.955 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.952 -4.164 -3.122 1.00 0.00 C ATOM 821 CZ PHE A 50 -6.435 -3.160 -3.940 1.00 0.00 C ATOM 0 H PHE A 50 -2.664 -7.507 -4.423 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.906 -5.456 -6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.129 -5.107 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.845 -3.890 -4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.762 -2.770 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.312 -5.445 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.023 -1.879 -5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.569 -4.557 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.429 -2.766 -3.784 1.00 0.00 H new ATOM 831 N ASN A 51 -0.511 -5.780 -7.108 1.00 0.00 N ATOM 832 CA ASN A 51 0.905 -5.855 -7.420 1.00 0.00 C ATOM 833 C ASN A 51 1.606 -4.628 -6.863 1.00 0.00 C ATOM 834 O ASN A 51 1.477 -3.519 -7.387 1.00 0.00 O ATOM 835 CB ASN A 51 1.171 -5.998 -8.928 1.00 0.00 C ATOM 836 CG ASN A 51 0.420 -4.993 -9.784 1.00 0.00 C ATOM 837 OD1 ASN A 51 -0.759 -4.718 -9.559 1.00 0.00 O ATOM 838 ND2 ASN A 51 1.106 -4.418 -10.765 1.00 0.00 N ATOM 0 H ASN A 51 -1.101 -5.461 -7.876 1.00 0.00 H new ATOM 0 HA ASN A 51 1.305 -6.754 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.240 -5.888 -9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.896 -7.005 -9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.657 -3.723 -11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.082 -4.671 -10.922 1.00 0.00 H new ATOM 845 N VAL A 52 2.313 -4.837 -5.767 1.00 0.00 N ATOM 846 CA VAL A 52 3.002 -3.766 -5.078 1.00 0.00 C ATOM 847 C VAL A 52 4.371 -3.541 -5.699 1.00 0.00 C ATOM 848 O VAL A 52 5.321 -4.286 -5.437 1.00 0.00 O ATOM 849 CB VAL A 52 3.158 -4.078 -3.571 1.00 0.00 C ATOM 850 CG1 VAL A 52 3.857 -2.940 -2.842 1.00 0.00 C ATOM 851 CG2 VAL A 52 1.802 -4.362 -2.942 1.00 0.00 C ATOM 0 H VAL A 52 2.424 -5.753 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 52 2.403 -2.861 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 52 3.780 -4.968 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.952 -3.189 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.848 -2.788 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.272 -2.026 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.931 -4.579 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.157 -3.491 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.345 -5.220 -3.435 1.00 0.00 H new ATOM 861 N GLU A 53 4.455 -2.541 -6.556 1.00 0.00 N ATOM 862 CA GLU A 53 5.706 -2.194 -7.195 1.00 0.00 C ATOM 863 C GLU A 53 6.174 -0.845 -6.707 1.00 0.00 C ATOM 864 O GLU A 53 5.514 0.178 -6.893 1.00 0.00 O ATOM 865 CB GLU A 53 5.561 -2.220 -8.720 1.00 0.00 C ATOM 866 CG GLU A 53 5.229 -3.603 -9.266 1.00 0.00 C ATOM 867 CD GLU A 53 5.093 -3.630 -10.775 1.00 0.00 C ATOM 868 OE1 GLU A 53 6.109 -3.418 -11.473 1.00 0.00 O ATOM 869 OE2 GLU A 53 3.974 -3.887 -11.275 1.00 0.00 O ATOM 0 H GLU A 53 3.666 -1.953 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 53 6.460 -2.934 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.778 -1.522 -9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.489 -1.870 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.009 -4.303 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.298 -3.950 -8.817 1.00 0.00 H new ATOM 876 N VAL A 54 7.313 -0.865 -6.053 1.00 0.00 N ATOM 877 CA VAL A 54 7.834 0.309 -5.410 1.00 0.00 C ATOM 878 C VAL A 54 9.321 0.492 -5.724 1.00 0.00 C ATOM 879 O VAL A 54 10.182 -0.211 -5.193 1.00 0.00 O ATOM 880 CB VAL A 54 7.586 0.247 -3.883 1.00 0.00 C ATOM 881 CG1 VAL A 54 8.166 -1.013 -3.260 1.00 0.00 C ATOM 882 CG2 VAL A 54 8.134 1.481 -3.208 1.00 0.00 C ATOM 0 H VAL A 54 7.899 -1.694 -5.955 1.00 0.00 H new ATOM 0 HA VAL A 54 7.306 1.178 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 54 6.508 0.213 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.968 -1.013 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.704 -1.889 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.242 -1.041 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.951 1.421 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.207 1.549 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.641 2.366 -3.611 1.00 0.00 H new ATOM 892 N PRO A 55 9.631 1.436 -6.622 1.00 0.00 N ATOM 893 CA PRO A 55 11.011 1.736 -7.028 1.00 0.00 C ATOM 894 C PRO A 55 11.861 2.223 -5.860 1.00 0.00 C ATOM 895 O PRO A 55 13.087 2.123 -5.885 1.00 0.00 O ATOM 896 CB PRO A 55 10.852 2.846 -8.072 1.00 0.00 C ATOM 897 CG PRO A 55 9.437 2.748 -8.527 1.00 0.00 C ATOM 898 CD PRO A 55 8.658 2.274 -7.338 1.00 0.00 C ATOM 0 HA PRO A 55 11.522 0.852 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.061 3.825 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.544 2.708 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.070 3.714 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.341 2.052 -9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.312 3.105 -6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.776 1.706 -7.633 1.00 0.00 H new ATOM 906 N GLU A 56 11.192 2.732 -4.828 1.00 0.00 N ATOM 907 CA GLU A 56 11.867 3.218 -3.631 1.00 0.00 C ATOM 908 C GLU A 56 12.600 2.078 -2.928 1.00 0.00 C ATOM 909 O GLU A 56 13.624 2.289 -2.278 1.00 0.00 O ATOM 910 CB GLU A 56 10.854 3.842 -2.665 1.00 0.00 C ATOM 911 CG GLU A 56 9.888 4.813 -3.326 1.00 0.00 C ATOM 912 CD GLU A 56 10.565 6.033 -3.912 1.00 0.00 C ATOM 913 OE1 GLU A 56 11.227 5.909 -4.960 1.00 0.00 O ATOM 914 OE2 GLU A 56 10.415 7.131 -3.339 1.00 0.00 O ATOM 0 H GLU A 56 10.176 2.818 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 56 12.591 3.974 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.283 3.045 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.394 4.364 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.347 4.293 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.149 5.135 -2.592 1.00 0.00 H new ATOM 921 N ARG A 57 12.063 0.871 -3.056 1.00 0.00 N ATOM 922 CA ARG A 57 12.642 -0.298 -2.413 1.00 0.00 C ATOM 923 C ARG A 57 13.053 -1.341 -3.448 1.00 0.00 C ATOM 924 O ARG A 57 13.465 -2.447 -3.090 1.00 0.00 O ATOM 925 CB ARG A 57 11.633 -0.910 -1.436 1.00 0.00 C ATOM 926 CG ARG A 57 11.144 0.057 -0.366 1.00 0.00 C ATOM 927 CD ARG A 57 12.297 0.618 0.446 1.00 0.00 C ATOM 928 NE ARG A 57 13.123 -0.438 1.025 1.00 0.00 N ATOM 929 CZ ARG A 57 14.046 -0.235 1.965 1.00 0.00 C ATOM 930 NH1 ARG A 57 14.278 0.986 2.422 1.00 0.00 N ATOM 931 NH2 ARG A 57 14.742 -1.257 2.448 1.00 0.00 N ATOM 0 H ARG A 57 11.224 0.678 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 57 13.531 0.018 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.775 -1.278 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.090 -1.773 -0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.597 0.874 -0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.446 -0.455 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.914 1.253 -0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.905 1.250 1.243 1.00 0.00 H new ATOM 0 HE ARG A 57 12.985 -1.391 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.749 1.777 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.985 1.135 3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.571 -2.200 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.448 -1.099 3.167 1.00 0.00 H new ATOM 945 N ASP A 58 12.933 -0.976 -4.728 1.00 0.00 N ATOM 946 CA ASP A 58 13.236 -1.881 -5.846 1.00 0.00 C ATOM 947 C ASP A 58 12.367 -3.141 -5.761 1.00 0.00 C ATOM 948 O ASP A 58 12.744 -4.224 -6.206 1.00 0.00 O ATOM 949 CB ASP A 58 14.735 -2.231 -5.845 1.00 0.00 C ATOM 950 CG ASP A 58 15.183 -2.971 -7.094 1.00 0.00 C ATOM 951 OD1 ASP A 58 15.018 -2.425 -8.204 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.734 -4.087 -6.967 1.00 0.00 O ATOM 0 H ASP A 58 12.624 -0.049 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 58 13.005 -1.381 -6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.315 -1.313 -5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.957 -2.842 -4.970 1.00 0.00 H new ATOM 957 N LEU A 59 11.170 -2.979 -5.218 1.00 0.00 N ATOM 958 CA LEU A 59 10.298 -4.111 -4.966 1.00 0.00 C ATOM 959 C LEU A 59 9.234 -4.243 -6.043 1.00 0.00 C ATOM 960 O LEU A 59 8.694 -3.249 -6.528 1.00 0.00 O ATOM 961 CB LEU A 59 9.629 -3.974 -3.598 1.00 0.00 C ATOM 962 CG LEU A 59 10.041 -5.007 -2.550 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.431 -4.653 -1.206 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.609 -6.403 -2.979 1.00 0.00 C ATOM 0 H LEU A 59 10.783 -2.076 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 59 10.914 -5.010 -4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.846 -2.980 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.549 -4.034 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 59 11.127 -4.999 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.729 -5.394 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.780 -3.668 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.344 -4.642 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.910 -7.126 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.525 -6.429 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.082 -6.654 -3.929 1.00 0.00 H new ATOM 976 N ALA A 60 8.960 -5.481 -6.416 1.00 0.00 N ATOM 977 CA ALA A 60 7.881 -5.803 -7.331 1.00 0.00 C ATOM 978 C ALA A 60 7.237 -7.108 -6.887 1.00 0.00 C ATOM 979 O ALA A 60 7.655 -8.191 -7.297 1.00 0.00 O ATOM 980 CB ALA A 60 8.396 -5.906 -8.760 1.00 0.00 C ATOM 0 H ALA A 60 9.483 -6.294 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 60 7.136 -5.007 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.569 -6.148 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.836 -4.954 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.152 -6.689 -8.819 1.00 0.00 H new ATOM 986 N PHE A 61 6.250 -7.002 -6.011 1.00 0.00 N ATOM 987 CA PHE A 61 5.671 -8.174 -5.374 1.00 0.00 C ATOM 988 C PHE A 61 4.154 -8.077 -5.343 1.00 0.00 C ATOM 989 O PHE A 61 3.597 -7.058 -4.948 1.00 0.00 O ATOM 990 CB PHE A 61 6.216 -8.287 -3.953 1.00 0.00 C ATOM 991 CG PHE A 61 5.956 -9.605 -3.286 1.00 0.00 C ATOM 992 CD1 PHE A 61 6.798 -10.681 -3.509 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.884 -9.762 -2.424 1.00 0.00 C ATOM 994 CE1 PHE A 61 6.574 -11.893 -2.888 1.00 0.00 C ATOM 995 CE2 PHE A 61 4.654 -10.973 -1.801 1.00 0.00 C ATOM 996 CZ PHE A 61 5.500 -12.039 -2.033 1.00 0.00 C ATOM 0 H PHE A 61 5.833 -6.116 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 61 5.941 -9.061 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.292 -8.113 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.777 -7.495 -3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.640 -10.571 -4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.222 -8.930 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.237 -12.725 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.813 -11.086 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.322 -12.986 -1.546 1.00 0.00 H new ATOM 1006 N ARG A 62 3.492 -9.139 -5.755 1.00 0.00 N ATOM 1007 CA ARG A 62 2.039 -9.157 -5.779 1.00 0.00 C ATOM 1008 C ARG A 62 1.502 -9.651 -4.442 1.00 0.00 C ATOM 1009 O ARG A 62 1.590 -10.834 -4.118 1.00 0.00 O ATOM 1010 CB ARG A 62 1.517 -10.024 -6.935 1.00 0.00 C ATOM 1011 CG ARG A 62 0.057 -9.760 -7.297 1.00 0.00 C ATOM 1012 CD ARG A 62 -0.917 -10.437 -6.340 1.00 0.00 C ATOM 1013 NE ARG A 62 -1.126 -11.847 -6.672 1.00 0.00 N ATOM 1014 CZ ARG A 62 -1.506 -12.780 -5.795 1.00 0.00 C ATOM 1015 NH1 ARG A 62 -1.665 -12.474 -4.513 1.00 0.00 N ATOM 1016 NH2 ARG A 62 -1.730 -14.021 -6.209 1.00 0.00 N ATOM 0 H ARG A 62 3.933 -10.000 -6.078 1.00 0.00 H new ATOM 0 HA ARG A 62 1.682 -8.140 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.136 -9.850 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.631 -11.075 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.125 -8.685 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.131 -10.113 -8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.538 -10.357 -5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.873 -9.914 -6.366 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.971 -12.137 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.497 -11.521 -4.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.955 -13.192 -3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.612 -14.259 -7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.020 -14.736 -5.542 1.00 0.00 H new ATOM 1030 N GLY A 63 0.949 -8.732 -3.672 1.00 0.00 N ATOM 1031 CA GLY A 63 0.380 -9.087 -2.393 1.00 0.00 C ATOM 1032 C GLY A 63 -1.112 -9.304 -2.496 1.00 0.00 C ATOM 1033 O GLY A 63 -1.725 -8.975 -3.516 1.00 0.00 O ATOM 0 H GLY A 63 0.884 -7.742 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.856 -9.994 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.586 -8.298 -1.670 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.700 -9.859 -1.457 1.00 0.00 N ATOM 1038 CA GLU A 64 -3.124 -10.122 -1.448 1.00 0.00 C ATOM 1039 C GLU A 64 -3.715 -9.805 -0.081 1.00 0.00 C ATOM 1040 O GLU A 64 -3.446 -10.490 0.904 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.398 -11.575 -1.851 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.612 -12.608 -1.061 1.00 0.00 C ATOM 1043 CD GLU A 64 -2.871 -14.011 -1.557 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -2.452 -14.322 -2.689 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -3.517 -14.801 -0.835 1.00 0.00 O ATOM 0 H GLU A 64 -1.212 -10.137 -0.605 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.608 -9.473 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.462 -11.777 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.168 -11.694 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.547 -12.388 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.880 -12.540 -0.007 1.00 0.00 H new ATOM 1052 N MET A 65 -4.494 -8.738 -0.017 1.00 0.00 N ATOM 1053 CA MET A 65 -5.155 -8.369 1.220 1.00 0.00 C ATOM 1054 C MET A 65 -6.256 -9.379 1.508 1.00 0.00 C ATOM 1055 O MET A 65 -7.159 -9.594 0.699 1.00 0.00 O ATOM 1056 CB MET A 65 -5.684 -6.926 1.156 1.00 0.00 C ATOM 1057 CG MET A 65 -6.822 -6.697 0.177 1.00 0.00 C ATOM 1058 SD MET A 65 -8.430 -6.694 0.987 1.00 0.00 S ATOM 1059 CE MET A 65 -8.206 -5.321 2.111 1.00 0.00 C ATOM 0 H MET A 65 -4.682 -8.116 -0.803 1.00 0.00 H new ATOM 0 HA MET A 65 -4.441 -8.392 2.043 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.018 -6.634 2.152 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.859 -6.265 0.890 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.673 -5.746 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.804 -7.475 -0.586 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.291 -5.674 3.139 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.220 -4.883 1.958 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.971 -4.568 1.922 1.00 0.00 H new ATOM 1069 N THR A 66 -6.139 -10.042 2.640 1.00 0.00 N ATOM 1070 CA THR A 66 -7.013 -11.154 2.963 1.00 0.00 C ATOM 1071 C THR A 66 -7.995 -10.757 4.053 1.00 0.00 C ATOM 1072 O THR A 66 -8.709 -11.591 4.613 1.00 0.00 O ATOM 1073 CB THR A 66 -6.171 -12.358 3.419 1.00 0.00 C ATOM 1074 OG1 THR A 66 -5.427 -12.015 4.600 1.00 0.00 O ATOM 1075 CG2 THR A 66 -5.197 -12.764 2.326 1.00 0.00 C ATOM 0 H THR A 66 -5.444 -9.830 3.356 1.00 0.00 H new ATOM 0 HA THR A 66 -7.579 -11.430 2.073 1.00 0.00 H new ATOM 0 HB THR A 66 -6.844 -13.188 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.593 -11.569 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.608 -13.617 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.751 -13.037 1.428 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.532 -11.929 2.102 1.00 0.00 H new ATOM 1083 N ASN A 67 -8.029 -9.468 4.331 1.00 0.00 N ATOM 1084 CA ASN A 67 -8.830 -8.934 5.420 1.00 0.00 C ATOM 1085 C ASN A 67 -10.266 -8.714 4.971 1.00 0.00 C ATOM 1086 O ASN A 67 -10.513 -8.019 3.986 1.00 0.00 O ATOM 1087 CB ASN A 67 -8.239 -7.608 5.896 1.00 0.00 C ATOM 1088 CG ASN A 67 -6.751 -7.700 6.160 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -5.943 -7.557 5.245 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -6.375 -7.936 7.404 1.00 0.00 N ATOM 0 H ASN A 67 -7.506 -8.763 3.812 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.823 -9.654 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.425 -6.840 5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.748 -7.293 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.383 -8.005 7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.076 -8.049 8.136 1.00 0.00 H new ATOM 1097 N TYR A 68 -11.205 -9.309 5.690 1.00 0.00 N ATOM 1098 CA TYR A 68 -12.618 -9.099 5.417 1.00 0.00 C ATOM 1099 C TYR A 68 -13.011 -7.679 5.813 1.00 0.00 C ATOM 1100 O TYR A 68 -12.361 -7.079 6.671 1.00 0.00 O ATOM 1101 CB TYR A 68 -13.466 -10.123 6.180 1.00 0.00 C ATOM 1102 CG TYR A 68 -14.956 -9.919 6.014 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -15.572 -10.140 4.789 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -15.743 -9.493 7.079 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -16.927 -9.941 4.627 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -17.101 -9.290 6.923 1.00 0.00 C ATOM 1107 CZ TYR A 68 -17.686 -9.517 5.696 1.00 0.00 C ATOM 1108 OH TYR A 68 -19.038 -9.315 5.533 1.00 0.00 O ATOM 0 H TYR A 68 -11.014 -9.941 6.467 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.799 -9.233 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.205 -11.125 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.216 -10.072 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.980 -10.473 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -15.286 -9.318 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -17.391 -10.117 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.700 -8.956 7.757 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.429 -9.018 6.381 1.00 0.00 H new ATOM 1118 N SER A 69 -14.054 -7.152 5.174 1.00 0.00 N ATOM 1119 CA SER A 69 -14.543 -5.797 5.425 1.00 0.00 C ATOM 1120 C SER A 69 -14.728 -5.530 6.919 1.00 0.00 C ATOM 1121 O SER A 69 -15.727 -5.934 7.519 1.00 0.00 O ATOM 1122 CB SER A 69 -15.869 -5.599 4.693 1.00 0.00 C ATOM 1123 OG SER A 69 -15.792 -6.106 3.373 1.00 0.00 O ATOM 0 H SER A 69 -14.586 -7.655 4.464 1.00 0.00 H new ATOM 0 HA SER A 69 -13.800 -5.091 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.669 -6.103 5.236 1.00 0.00 H new ATOM 0 HB3 SER A 69 -16.121 -4.539 4.667 1.00 0.00 H new ATOM 0 HG SER A 69 -16.651 -5.972 2.920 1.00 0.00 H new ATOM 1129 N THR A 70 -13.751 -4.859 7.515 1.00 0.00 N ATOM 1130 CA THR A 70 -13.788 -4.552 8.939 1.00 0.00 C ATOM 1131 C THR A 70 -13.425 -3.086 9.184 1.00 0.00 C ATOM 1132 O THR A 70 -13.922 -2.454 10.118 1.00 0.00 O ATOM 1133 CB THR A 70 -12.821 -5.467 9.726 1.00 0.00 C ATOM 1134 OG1 THR A 70 -13.009 -6.833 9.327 1.00 0.00 O ATOM 1135 CG2 THR A 70 -13.045 -5.346 11.229 1.00 0.00 C ATOM 0 H THR A 70 -12.920 -4.516 7.032 1.00 0.00 H new ATOM 0 HA THR A 70 -14.804 -4.730 9.292 1.00 0.00 H new ATOM 0 HB THR A 70 -11.802 -5.151 9.501 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.634 -6.967 8.432 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.350 -6.001 11.754 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.877 -4.315 11.540 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.068 -5.635 11.469 1.00 0.00 H new ATOM 1143 N SER A 71 -12.563 -2.548 8.334 1.00 0.00 N ATOM 1144 CA SER A 71 -12.152 -1.161 8.443 1.00 0.00 C ATOM 1145 C SER A 71 -13.221 -0.238 7.854 1.00 0.00 C ATOM 1146 O SER A 71 -13.487 -0.257 6.651 1.00 0.00 O ATOM 1147 CB SER A 71 -10.809 -0.971 7.747 1.00 0.00 C ATOM 1148 OG SER A 71 -10.749 -1.702 6.534 1.00 0.00 O ATOM 0 H SER A 71 -12.135 -3.055 7.559 1.00 0.00 H new ATOM 0 HA SER A 71 -12.036 -0.899 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.649 0.088 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.005 -1.294 8.409 1.00 0.00 H new ATOM 0 HG SER A 71 -11.552 -1.520 6.003 1.00 0.00 H new ATOM 1154 N LEU A 72 -13.842 0.561 8.711 1.00 0.00 N ATOM 1155 CA LEU A 72 -14.946 1.411 8.291 1.00 0.00 C ATOM 1156 C LEU A 72 -14.454 2.715 7.664 1.00 0.00 C ATOM 1157 O LEU A 72 -14.194 3.702 8.351 1.00 0.00 O ATOM 1158 CB LEU A 72 -15.912 1.696 9.459 1.00 0.00 C ATOM 1159 CG LEU A 72 -15.315 2.384 10.699 1.00 0.00 C ATOM 1160 CD1 LEU A 72 -16.419 3.020 11.529 1.00 0.00 C ATOM 1161 CD2 LEU A 72 -14.533 1.397 11.554 1.00 0.00 C ATOM 0 H LEU A 72 -13.600 0.638 9.699 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.494 0.863 7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -16.725 2.317 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.353 0.750 9.774 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.629 3.158 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.984 3.504 12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.945 3.762 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.121 2.251 11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.123 1.913 12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.196 0.598 11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.719 0.972 10.967 1.00 0.00 H new ATOM 1173 N THR A 73 -14.287 2.689 6.352 1.00 0.00 N ATOM 1174 CA THR A 73 -13.991 3.892 5.590 1.00 0.00 C ATOM 1175 C THR A 73 -15.255 4.370 4.883 1.00 0.00 C ATOM 1176 O THR A 73 -15.777 5.447 5.172 1.00 0.00 O ATOM 1177 CB THR A 73 -12.889 3.631 4.545 1.00 0.00 C ATOM 1178 OG1 THR A 73 -11.758 3.030 5.185 1.00 0.00 O ATOM 1179 CG2 THR A 73 -12.466 4.923 3.847 1.00 0.00 C ATOM 0 H THR A 73 -14.352 1.841 5.789 1.00 0.00 H new ATOM 0 HA THR A 73 -13.636 4.656 6.281 1.00 0.00 H new ATOM 0 HB THR A 73 -13.288 2.956 3.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.310 3.694 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.688 4.704 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.326 5.361 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.082 5.627 4.586 1.00 0.00 H new ATOM 1187 N ASN A 74 -15.735 3.537 3.965 1.00 0.00 N ATOM 1188 CA ASN A 74 -16.965 3.792 3.223 1.00 0.00 C ATOM 1189 C ASN A 74 -17.294 2.583 2.350 1.00 0.00 C ATOM 1190 O ASN A 74 -18.433 2.112 2.328 1.00 0.00 O ATOM 1191 CB ASN A 74 -16.874 5.083 2.386 1.00 0.00 C ATOM 1192 CG ASN A 74 -15.584 5.233 1.584 1.00 0.00 C ATOM 1193 OD1 ASN A 74 -14.959 4.260 1.178 1.00 0.00 O ATOM 1194 ND2 ASN A 74 -15.180 6.470 1.349 1.00 0.00 N ATOM 0 H ASN A 74 -15.278 2.660 3.713 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.774 3.944 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -17.719 5.114 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -16.973 5.940 3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.326 6.635 0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.722 7.259 1.700 1.00 0.00 H new ATOM 1201 N LEU A 75 -16.283 2.106 1.623 1.00 0.00 N ATOM 1202 CA LEU A 75 -16.323 0.826 0.907 1.00 0.00 C ATOM 1203 C LEU A 75 -17.374 0.786 -0.208 1.00 0.00 C ATOM 1204 O LEU A 75 -17.593 -0.270 -0.806 1.00 0.00 O ATOM 1205 CB LEU A 75 -16.554 -0.324 1.894 1.00 0.00 C ATOM 1206 CG LEU A 75 -15.463 -0.493 2.958 1.00 0.00 C ATOM 1207 CD1 LEU A 75 -15.822 -1.619 3.916 1.00 0.00 C ATOM 1208 CD2 LEU A 75 -14.113 -0.756 2.305 1.00 0.00 C ATOM 0 H LEU A 75 -15.400 2.604 1.512 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.353 0.711 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.509 -0.166 2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.639 -1.254 1.332 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.393 0.434 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.036 -1.725 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.766 -1.389 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.922 -2.552 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.352 -0.873 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.168 -1.667 1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.851 0.083 1.661 1.00 0.00 H new ATOM 1220 N TYR A 76 -17.991 1.932 -0.499 1.00 0.00 N ATOM 1221 CA TYR A 76 -19.021 2.021 -1.538 1.00 0.00 C ATOM 1222 C TYR A 76 -19.653 3.409 -1.539 1.00 0.00 C ATOM 1223 O TYR A 76 -19.825 4.031 -2.585 1.00 0.00 O ATOM 1224 CB TYR A 76 -20.111 0.961 -1.320 1.00 0.00 C ATOM 1225 CG TYR A 76 -21.098 0.843 -2.459 1.00 0.00 C ATOM 1226 CD1 TYR A 76 -20.682 0.443 -3.724 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -22.446 1.125 -2.270 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -21.580 0.330 -4.768 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -23.350 1.013 -3.311 1.00 0.00 C ATOM 1230 CZ TYR A 76 -22.912 0.614 -4.557 1.00 0.00 C ATOM 1231 OH TYR A 76 -23.811 0.502 -5.598 1.00 0.00 O ATOM 0 H TYR A 76 -17.795 2.815 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 76 -18.544 1.841 -2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -19.635 -0.007 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -20.655 1.198 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -19.640 0.217 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -22.793 1.436 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -21.240 0.020 -5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -24.394 1.237 -3.149 1.00 0.00 H new ATOM 0 HH TYR A 76 -24.708 0.737 -5.282 1.00 0.00 H new ATOM 1241 N GLU A 77 -19.989 3.885 -0.350 1.00 0.00 N ATOM 1242 CA GLU A 77 -20.678 5.154 -0.191 1.00 0.00 C ATOM 1243 C GLU A 77 -19.696 6.323 -0.217 1.00 0.00 C ATOM 1244 O GLU A 77 -18.779 6.384 0.595 1.00 0.00 O ATOM 1245 CB GLU A 77 -21.438 5.152 1.129 1.00 0.00 C ATOM 1246 CG GLU A 77 -22.403 3.988 1.275 1.00 0.00 C ATOM 1247 CD GLU A 77 -23.009 3.921 2.656 1.00 0.00 C ATOM 1248 OE1 GLU A 77 -22.416 3.266 3.537 1.00 0.00 O ATOM 1249 OE2 GLU A 77 -24.075 4.531 2.873 1.00 0.00 O ATOM 0 H GLU A 77 -19.792 3.404 0.528 1.00 0.00 H new ATOM 0 HA GLU A 77 -21.372 5.277 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -20.722 5.124 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -21.992 6.086 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -23.198 4.082 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -21.880 3.055 1.064 1.00 0.00 H new ATOM 1256 N PRO A 78 -19.877 7.264 -1.148 1.00 0.00 N ATOM 1257 CA PRO A 78 -19.029 8.459 -1.240 1.00 0.00 C ATOM 1258 C PRO A 78 -19.129 9.331 0.012 1.00 0.00 C ATOM 1259 O PRO A 78 -20.212 9.502 0.579 1.00 0.00 O ATOM 1260 CB PRO A 78 -19.586 9.209 -2.456 1.00 0.00 C ATOM 1261 CG PRO A 78 -20.358 8.189 -3.219 1.00 0.00 C ATOM 1262 CD PRO A 78 -20.908 7.243 -2.194 1.00 0.00 C ATOM 0 HA PRO A 78 -17.974 8.202 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -20.223 10.038 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -18.783 9.630 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -21.160 8.654 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -19.719 7.666 -3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -21.875 7.574 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -21.051 6.242 -2.602 1.00 0.00 H new ATOM 1270 N GLY A 79 -17.998 9.879 0.439 1.00 0.00 N ATOM 1271 CA GLY A 79 -17.970 10.726 1.616 1.00 0.00 C ATOM 1272 C GLY A 79 -17.061 11.920 1.421 1.00 0.00 C ATOM 1273 O GLY A 79 -16.559 12.138 0.319 1.00 0.00 O ATOM 0 H GLY A 79 -17.093 9.750 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.979 11.069 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -17.631 10.146 2.474 1.00 0.00 H new ATOM 1277 N ALA A 80 -16.857 12.700 2.477 1.00 0.00 N ATOM 1278 CA ALA A 80 -15.982 13.861 2.405 1.00 0.00 C ATOM 1279 C ALA A 80 -14.571 13.465 2.806 1.00 0.00 C ATOM 1280 O ALA A 80 -13.630 13.570 2.020 1.00 0.00 O ATOM 1281 CB ALA A 80 -16.504 14.978 3.298 1.00 0.00 C ATOM 0 H ALA A 80 -17.285 12.549 3.390 1.00 0.00 H new ATOM 0 HA ALA A 80 -15.965 14.231 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.838 15.838 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.503 15.267 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.545 14.630 4.330 1.00 0.00 H new ATOM 1287 N VAL A 81 -14.438 13.007 4.041 1.00 0.00 N ATOM 1288 CA VAL A 81 -13.185 12.464 4.528 1.00 0.00 C ATOM 1289 C VAL A 81 -13.397 11.032 4.959 1.00 0.00 C ATOM 1290 O VAL A 81 -14.284 10.743 5.763 1.00 0.00 O ATOM 1291 CB VAL A 81 -12.630 13.267 5.715 1.00 0.00 C ATOM 1292 CG1 VAL A 81 -11.402 12.590 6.312 1.00 0.00 C ATOM 1293 CG2 VAL A 81 -12.281 14.661 5.267 1.00 0.00 C ATOM 0 H VAL A 81 -15.192 13.002 4.728 1.00 0.00 H new ATOM 0 HA VAL A 81 -12.461 12.521 3.715 1.00 0.00 H new ATOM 0 HB VAL A 81 -13.399 13.313 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.032 13.181 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.670 11.593 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.625 12.511 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.888 15.227 6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.528 14.613 4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -13.174 15.154 4.884 1.00 0.00 H new ATOM 1303 N SER A 82 -12.616 10.131 4.413 1.00 0.00 N ATOM 1304 CA SER A 82 -12.758 8.739 4.762 1.00 0.00 C ATOM 1305 C SER A 82 -11.404 8.039 4.834 1.00 0.00 C ATOM 1306 O SER A 82 -10.751 7.831 3.821 1.00 0.00 O ATOM 1307 CB SER A 82 -13.666 8.050 3.745 1.00 0.00 C ATOM 1308 OG SER A 82 -14.946 8.663 3.712 1.00 0.00 O ATOM 0 H SER A 82 -11.883 10.334 3.733 1.00 0.00 H new ATOM 0 HA SER A 82 -13.208 8.675 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.211 8.095 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.770 6.995 4.000 1.00 0.00 H new ATOM 0 HG SER A 82 -15.637 7.973 3.626 1.00 0.00 H new ATOM 1314 N GLU A 83 -10.989 7.662 6.028 1.00 0.00 N ATOM 1315 CA GLU A 83 -9.682 7.044 6.211 1.00 0.00 C ATOM 1316 C GLU A 83 -9.714 5.566 5.838 1.00 0.00 C ATOM 1317 O GLU A 83 -10.240 4.740 6.586 1.00 0.00 O ATOM 1318 CB GLU A 83 -9.218 7.214 7.653 1.00 0.00 C ATOM 1319 CG GLU A 83 -8.935 8.659 8.018 1.00 0.00 C ATOM 1320 CD GLU A 83 -8.600 8.833 9.481 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -7.524 8.366 9.909 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -9.402 9.454 10.204 1.00 0.00 O ATOM 0 H GLU A 83 -11.532 7.770 6.885 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.976 7.544 5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.981 6.818 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.317 6.622 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.107 9.027 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.805 9.269 7.773 1.00 0.00 H new ATOM 1329 N PHE A 84 -9.169 5.244 4.665 1.00 0.00 N ATOM 1330 CA PHE A 84 -9.081 3.863 4.204 1.00 0.00 C ATOM 1331 C PHE A 84 -7.990 3.120 4.946 1.00 0.00 C ATOM 1332 O PHE A 84 -6.804 3.333 4.701 1.00 0.00 O ATOM 1333 CB PHE A 84 -8.809 3.778 2.698 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.033 3.504 1.866 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -10.714 2.300 1.970 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.495 4.450 0.974 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -11.835 2.052 1.197 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.614 4.210 0.200 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.284 3.013 0.311 1.00 0.00 C ATOM 0 H PHE A 84 -8.780 5.927 4.015 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.047 3.401 4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.361 4.715 2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.076 2.992 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.366 1.548 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.974 5.392 0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.357 1.111 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.963 4.962 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.159 2.825 -0.293 1.00 0.00 H new ATOM 1349 N TYR A 85 -8.394 2.267 5.865 1.00 0.00 N ATOM 1350 CA TYR A 85 -7.460 1.393 6.545 1.00 0.00 C ATOM 1351 C TYR A 85 -7.355 0.088 5.769 1.00 0.00 C ATOM 1352 O TYR A 85 -8.126 -0.847 5.986 1.00 0.00 O ATOM 1353 CB TYR A 85 -7.907 1.152 7.993 1.00 0.00 C ATOM 1354 CG TYR A 85 -7.081 0.128 8.741 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -5.751 0.371 9.063 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -7.639 -1.083 9.124 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -5.001 -0.572 9.742 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -6.900 -2.029 9.800 1.00 0.00 C ATOM 1359 CZ TYR A 85 -5.581 -1.769 10.110 1.00 0.00 C ATOM 1360 OH TYR A 85 -4.838 -2.712 10.784 1.00 0.00 O ATOM 0 H TYR A 85 -9.365 2.160 6.159 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.476 1.860 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.868 2.097 8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.948 0.829 7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.297 1.309 8.779 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -8.673 -1.288 8.888 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.967 -0.373 9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.350 -2.968 10.085 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.841 -3.552 10.280 1.00 0.00 H new ATOM 1370 N ILE A 86 -6.435 0.054 4.820 1.00 0.00 N ATOM 1371 CA ILE A 86 -6.265 -1.111 3.972 1.00 0.00 C ATOM 1372 C ILE A 86 -4.894 -1.729 4.203 1.00 0.00 C ATOM 1373 O ILE A 86 -3.873 -1.140 3.852 1.00 0.00 O ATOM 1374 CB ILE A 86 -6.413 -0.757 2.474 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -7.667 0.091 2.238 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -6.484 -2.030 1.642 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -7.847 0.514 0.796 1.00 0.00 C ATOM 0 H ILE A 86 -5.794 0.821 4.618 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.047 -1.822 4.236 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.541 -0.177 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.543 -0.475 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.618 0.981 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.588 -1.771 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.572 -2.609 1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.343 -2.623 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.754 1.111 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.988 1.107 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.928 -0.371 0.165 1.00 0.00 H new ATOM 1389 N GLU A 87 -4.871 -2.892 4.831 1.00 0.00 N ATOM 1390 CA GLU A 87 -3.631 -3.623 5.006 1.00 0.00 C ATOM 1391 C GLU A 87 -3.580 -4.789 4.029 1.00 0.00 C ATOM 1392 O GLU A 87 -4.589 -5.446 3.779 1.00 0.00 O ATOM 1393 CB GLU A 87 -3.471 -4.115 6.451 1.00 0.00 C ATOM 1394 CG GLU A 87 -4.618 -4.974 6.949 1.00 0.00 C ATOM 1395 CD GLU A 87 -4.328 -5.600 8.299 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -4.635 -4.970 9.333 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -3.784 -6.729 8.333 1.00 0.00 O ATOM 0 H GLU A 87 -5.694 -3.348 5.226 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.800 -2.948 4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.545 -4.686 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.368 -3.251 7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.520 -4.366 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.821 -5.761 6.223 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.413 -5.021 3.456 1.00 0.00 N ATOM 1405 CA ILE A 88 -2.240 -6.069 2.464 1.00 0.00 C ATOM 1406 C ILE A 88 -1.205 -7.079 2.927 1.00 0.00 C ATOM 1407 O ILE A 88 -0.036 -6.743 3.128 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.806 -5.477 1.106 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.825 -4.440 0.630 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.639 -6.578 0.070 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -2.438 -3.750 -0.660 1.00 0.00 C ATOM 0 H ILE A 88 -1.564 -4.494 3.662 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.201 -6.569 2.341 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.843 -4.983 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.790 -4.928 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.955 -3.688 1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.333 -6.140 -0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.878 -7.282 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.586 -7.102 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.209 -3.030 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.489 -3.232 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.337 -4.491 -1.453 1.00 0.00 H new ATOM 1423 N THR A 89 -1.651 -8.306 3.118 1.00 0.00 N ATOM 1424 CA THR A 89 -0.764 -9.398 3.450 1.00 0.00 C ATOM 1425 C THR A 89 -0.087 -9.926 2.191 1.00 0.00 C ATOM 1426 O THR A 89 -0.743 -10.134 1.172 1.00 0.00 O ATOM 1427 CB THR A 89 -1.548 -10.527 4.143 1.00 0.00 C ATOM 1428 OG1 THR A 89 -2.837 -10.674 3.527 1.00 0.00 O ATOM 1429 CG2 THR A 89 -1.718 -10.236 5.627 1.00 0.00 C ATOM 0 H THR A 89 -2.634 -8.570 3.047 1.00 0.00 H new ATOM 0 HA THR A 89 0.002 -9.032 4.134 1.00 0.00 H new ATOM 0 HB THR A 89 -0.985 -11.454 4.035 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.757 -10.524 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.275 -11.047 6.095 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.738 -10.151 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.263 -9.301 5.754 1.00 0.00 H new ATOM 1437 N GLU A 90 1.227 -10.096 2.244 1.00 0.00 N ATOM 1438 CA GLU A 90 1.966 -10.648 1.115 1.00 0.00 C ATOM 1439 C GLU A 90 1.439 -12.037 0.776 1.00 0.00 C ATOM 1440 O GLU A 90 0.918 -12.738 1.651 1.00 0.00 O ATOM 1441 CB GLU A 90 3.463 -10.710 1.431 1.00 0.00 C ATOM 1442 CG GLU A 90 3.899 -11.959 2.178 1.00 0.00 C ATOM 1443 CD GLU A 90 5.390 -11.991 2.437 1.00 0.00 C ATOM 1444 OE1 GLU A 90 6.167 -12.064 1.466 1.00 0.00 O ATOM 1445 OE2 GLU A 90 5.790 -11.935 3.619 1.00 0.00 O ATOM 0 H GLU A 90 1.802 -9.861 3.053 1.00 0.00 H new ATOM 0 HA GLU A 90 1.824 -9.996 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.021 -10.647 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.733 -9.835 2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.368 -12.014 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.615 -12.840 1.602 1.00 0.00 H new ATOM 1452 N ILE A 91 1.558 -12.427 -0.485 1.00 0.00 N ATOM 1453 CA ILE A 91 1.110 -13.741 -0.909 1.00 0.00 C ATOM 1454 C ILE A 91 1.925 -14.816 -0.195 1.00 0.00 C ATOM 1455 O ILE A 91 3.103 -14.615 0.099 1.00 0.00 O ATOM 1456 CB ILE A 91 1.230 -13.924 -2.440 1.00 0.00 C ATOM 1457 CG1 ILE A 91 0.569 -15.239 -2.861 1.00 0.00 C ATOM 1458 CG2 ILE A 91 2.687 -13.873 -2.887 1.00 0.00 C ATOM 1459 CD1 ILE A 91 0.936 -15.692 -4.255 1.00 0.00 C ATOM 0 H ILE A 91 1.959 -11.854 -1.227 1.00 0.00 H new ATOM 0 HA ILE A 91 0.057 -13.836 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 91 0.711 -13.101 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.849 -16.018 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.513 -15.126 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.741 -14.004 -3.968 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.117 -12.908 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.246 -14.670 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.428 -16.630 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.631 -14.934 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.014 -15.840 -4.318 1.00 0.00 H new ATOM 1471 N ASP A 92 1.302 -15.941 0.105 1.00 0.00 N ATOM 1472 CA ASP A 92 1.981 -16.982 0.854 1.00 0.00 C ATOM 1473 C ASP A 92 2.476 -18.090 -0.048 1.00 0.00 C ATOM 1474 O ASP A 92 2.049 -18.224 -1.199 1.00 0.00 O ATOM 1475 CB ASP A 92 1.070 -17.583 1.923 1.00 0.00 C ATOM 1476 CG ASP A 92 0.617 -16.565 2.944 1.00 0.00 C ATOM 1477 OD1 ASP A 92 1.333 -16.371 3.952 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -0.444 -15.946 2.736 1.00 0.00 O ATOM 0 H ASP A 92 0.339 -16.156 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 92 2.837 -16.507 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.196 -18.024 1.443 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.597 -18.391 2.431 1.00 0.00 H new ATOM 1483 N LYS A 93 3.349 -18.909 0.515 1.00 0.00 N ATOM 1484 CA LYS A 93 3.904 -20.068 -0.173 1.00 0.00 C ATOM 1485 C LYS A 93 2.864 -21.155 -0.342 1.00 0.00 C ATOM 1486 O LYS A 93 3.097 -22.187 -0.971 1.00 0.00 O ATOM 1487 CB LYS A 93 5.084 -20.621 0.620 1.00 0.00 C ATOM 1488 CG LYS A 93 4.801 -20.725 2.116 1.00 0.00 C ATOM 1489 CD LYS A 93 5.833 -21.580 2.838 1.00 0.00 C ATOM 1490 CE LYS A 93 5.626 -23.057 2.548 1.00 0.00 C ATOM 1491 NZ LYS A 93 4.294 -23.539 3.018 1.00 0.00 N ATOM 0 H LYS A 93 3.696 -18.790 1.467 1.00 0.00 H new ATOM 0 HA LYS A 93 4.234 -19.748 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.343 -21.608 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.952 -19.980 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.790 -19.726 2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.809 -21.150 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.835 -21.283 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.766 -21.405 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.717 -23.232 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.412 -23.635 3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.208 -24.558 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.203 -23.365 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.542 -23.030 2.512 1.00 0.00 H new ATOM 1505 N ASN A 94 1.734 -20.902 0.254 1.00 0.00 N ATOM 1506 CA ASN A 94 0.621 -21.827 0.255 1.00 0.00 C ATOM 1507 C ASN A 94 -0.271 -21.577 -0.954 1.00 0.00 C ATOM 1508 O ASN A 94 -1.023 -22.454 -1.378 1.00 0.00 O ATOM 1509 CB ASN A 94 -0.181 -21.667 1.547 1.00 0.00 C ATOM 1510 CG ASN A 94 0.684 -21.724 2.796 1.00 0.00 C ATOM 1511 OD1 ASN A 94 1.738 -22.363 2.815 1.00 0.00 O ATOM 1512 ND2 ASN A 94 0.241 -21.057 3.851 1.00 0.00 N ATOM 0 H ASN A 94 1.551 -20.037 0.762 1.00 0.00 H new ATOM 0 HA ASN A 94 1.004 -22.846 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -0.712 -20.715 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -0.936 -22.452 1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.777 -21.061 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.636 -20.540 3.796 1.00 0.00 H new ATOM 1519 N ALA A 95 -0.182 -20.373 -1.506 1.00 0.00 N ATOM 1520 CA ALA A 95 -0.967 -20.016 -2.677 1.00 0.00 C ATOM 1521 C ALA A 95 -0.195 -20.337 -3.946 1.00 0.00 C ATOM 1522 O ALA A 95 -0.730 -20.938 -4.878 1.00 0.00 O ATOM 1523 CB ALA A 95 -1.342 -18.543 -2.643 1.00 0.00 C ATOM 0 H ALA A 95 0.425 -19.630 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.885 -20.603 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.929 -18.296 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.930 -18.338 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.436 -17.937 -2.628 1.00 0.00 H new ATOM 1529 N ASP A 96 1.069 -19.941 -3.972 1.00 0.00 N ATOM 1530 CA ASP A 96 1.938 -20.226 -5.105 1.00 0.00 C ATOM 1531 C ASP A 96 3.369 -20.381 -4.621 1.00 0.00 C ATOM 1532 O ASP A 96 3.681 -20.057 -3.475 1.00 0.00 O ATOM 1533 CB ASP A 96 1.844 -19.122 -6.166 1.00 0.00 C ATOM 1534 CG ASP A 96 2.660 -19.426 -7.410 1.00 0.00 C ATOM 1535 OD1 ASP A 96 2.243 -20.307 -8.194 1.00 0.00 O ATOM 1536 OD2 ASP A 96 3.724 -18.805 -7.596 1.00 0.00 O ATOM 0 H ASP A 96 1.517 -19.420 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 96 1.613 -21.157 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.800 -18.984 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.185 -18.181 -5.735 1.00 0.00 H new ATOM 1541 N SER A 97 4.228 -20.876 -5.490 1.00 0.00 N ATOM 1542 CA SER A 97 5.607 -21.149 -5.120 1.00 0.00 C ATOM 1543 C SER A 97 6.509 -21.096 -6.347 1.00 0.00 C ATOM 1544 O SER A 97 7.597 -21.671 -6.361 1.00 0.00 O ATOM 1545 CB SER A 97 5.693 -22.523 -4.445 1.00 0.00 C ATOM 1546 OG SER A 97 6.965 -22.741 -3.856 1.00 0.00 O ATOM 0 H SER A 97 3.997 -21.098 -6.458 1.00 0.00 H new ATOM 0 HA SER A 97 5.947 -20.387 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 97 4.920 -22.602 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 97 5.494 -23.303 -5.180 1.00 0.00 H new ATOM 0 HG SER A 97 7.666 -22.433 -4.468 1.00 0.00 H new ATOM 1552 N LEU A 98 6.063 -20.377 -7.363 1.00 0.00 N ATOM 1553 CA LEU A 98 6.810 -20.266 -8.603 1.00 0.00 C ATOM 1554 C LEU A 98 7.057 -18.804 -8.939 1.00 0.00 C ATOM 1555 O LEU A 98 6.256 -18.164 -9.620 1.00 0.00 O ATOM 1556 CB LEU A 98 6.070 -20.964 -9.744 1.00 0.00 C ATOM 1557 CG LEU A 98 5.962 -22.482 -9.605 1.00 0.00 C ATOM 1558 CD1 LEU A 98 5.051 -23.057 -10.680 1.00 0.00 C ATOM 1559 CD2 LEU A 98 7.342 -23.119 -9.681 1.00 0.00 C ATOM 0 H LEU A 98 5.184 -19.860 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 98 7.773 -20.760 -8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.065 -20.548 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.577 -20.734 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 98 5.527 -22.708 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.988 -24.139 -10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.056 -22.623 -10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.456 -22.822 -11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.250 -24.200 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.800 -22.882 -10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.966 -22.732 -8.876 1.00 0.00 H new ATOM 1571 N GLU A 99 8.164 -18.284 -8.440 1.00 0.00 N ATOM 1572 CA GLU A 99 8.483 -16.871 -8.590 1.00 0.00 C ATOM 1573 C GLU A 99 9.217 -16.598 -9.901 1.00 0.00 C ATOM 1574 O GLU A 99 9.965 -17.440 -10.405 1.00 0.00 O ATOM 1575 CB GLU A 99 9.310 -16.383 -7.395 1.00 0.00 C ATOM 1576 CG GLU A 99 10.605 -17.152 -7.180 1.00 0.00 C ATOM 1577 CD GLU A 99 11.330 -16.722 -5.920 1.00 0.00 C ATOM 1578 OE1 GLU A 99 11.867 -15.596 -5.897 1.00 0.00 O ATOM 1579 OE2 GLU A 99 11.353 -17.500 -4.946 1.00 0.00 O ATOM 0 H GLU A 99 8.862 -18.820 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 99 7.545 -16.317 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.546 -15.328 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.703 -16.456 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.386 -18.218 -7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.259 -17.005 -8.040 1.00 0.00 H new ATOM 1586 N HIS A 100 8.981 -15.414 -10.451 1.00 0.00 N ATOM 1587 CA HIS A 100 9.599 -15.002 -11.702 1.00 0.00 C ATOM 1588 C HIS A 100 10.414 -13.727 -11.482 1.00 0.00 C ATOM 1589 O HIS A 100 10.121 -12.962 -10.560 1.00 0.00 O ATOM 1590 CB HIS A 100 8.511 -14.771 -12.763 1.00 0.00 C ATOM 1591 CG HIS A 100 9.036 -14.488 -14.139 1.00 0.00 C ATOM 1592 ND1 HIS A 100 9.099 -13.220 -14.675 1.00 0.00 N ATOM 1593 CD2 HIS A 100 9.511 -15.321 -15.095 1.00 0.00 C ATOM 1594 CE1 HIS A 100 9.589 -13.286 -15.898 1.00 0.00 C ATOM 1595 NE2 HIS A 100 9.846 -14.547 -16.176 1.00 0.00 N ATOM 0 H HIS A 100 8.359 -14.716 -10.044 1.00 0.00 H new ATOM 0 HA HIS A 100 10.270 -15.786 -12.053 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.870 -15.652 -12.806 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.885 -13.936 -12.448 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.608 -16.394 -15.020 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.752 -12.448 -16.559 1.00 0.00 H new ATOM 0 HE2 HIS A 100 10.232 -14.893 -17.054 1.00 0.00 H new ATOM 1604 N HIS A 101 11.442 -13.525 -12.319 1.00 0.00 N ATOM 1605 CA HIS A 101 12.298 -12.326 -12.277 1.00 0.00 C ATOM 1606 C HIS A 101 13.339 -12.441 -11.160 1.00 0.00 C ATOM 1607 O HIS A 101 14.137 -11.532 -10.930 1.00 0.00 O ATOM 1608 CB HIS A 101 11.448 -11.047 -12.129 1.00 0.00 C ATOM 1609 CG HIS A 101 12.211 -9.758 -12.226 1.00 0.00 C ATOM 1610 ND1 HIS A 101 12.789 -9.306 -13.390 1.00 0.00 N ATOM 1611 CD2 HIS A 101 12.465 -8.809 -11.293 1.00 0.00 C ATOM 1612 CE1 HIS A 101 13.362 -8.138 -13.170 1.00 0.00 C ATOM 1613 NE2 HIS A 101 13.179 -7.810 -11.906 1.00 0.00 N ATOM 0 H HIS A 101 11.706 -14.189 -13.047 1.00 0.00 H new ATOM 0 HA HIS A 101 12.835 -12.255 -13.223 1.00 0.00 H new ATOM 0 HB2 HIS A 101 10.676 -11.052 -12.898 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.939 -11.078 -11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 101 12.161 -8.834 -10.257 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.893 -7.549 -13.903 1.00 0.00 H new ATOM 0 HE2 HIS A 101 13.512 -6.956 -11.458 1.00 0.00 H new ATOM 1622 N HIS A 102 13.345 -13.581 -10.486 1.00 0.00 N ATOM 1623 CA HIS A 102 14.308 -13.834 -9.427 1.00 0.00 C ATOM 1624 C HIS A 102 15.579 -14.441 -10.016 1.00 0.00 C ATOM 1625 O HIS A 102 15.684 -15.654 -10.184 1.00 0.00 O ATOM 1626 CB HIS A 102 13.706 -14.763 -8.371 1.00 0.00 C ATOM 1627 CG HIS A 102 14.576 -14.958 -7.168 1.00 0.00 C ATOM 1628 ND1 HIS A 102 15.027 -16.191 -6.760 1.00 0.00 N ATOM 1629 CD2 HIS A 102 15.066 -14.065 -6.276 1.00 0.00 C ATOM 1630 CE1 HIS A 102 15.753 -16.053 -5.671 1.00 0.00 C ATOM 1631 NE2 HIS A 102 15.795 -14.773 -5.357 1.00 0.00 N ATOM 0 H HIS A 102 12.692 -14.346 -10.655 1.00 0.00 H new ATOM 0 HA HIS A 102 14.562 -12.890 -8.945 1.00 0.00 H new ATOM 0 HB2 HIS A 102 12.745 -14.359 -8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 102 13.508 -15.734 -8.825 1.00 0.00 H new ATOM 0 HD1 HIS A 102 14.830 -17.075 -7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 102 14.911 -12.996 -6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 102 16.233 -16.853 -5.127 1.00 0.00 H new ATOM 1640 N HIS A 103 16.537 -13.587 -10.339 1.00 0.00 N ATOM 1641 CA HIS A 103 17.755 -14.026 -11.013 1.00 0.00 C ATOM 1642 C HIS A 103 18.836 -14.435 -10.013 1.00 0.00 C ATOM 1643 O HIS A 103 19.686 -13.631 -9.630 1.00 0.00 O ATOM 1644 CB HIS A 103 18.276 -12.950 -11.988 1.00 0.00 C ATOM 1645 CG HIS A 103 18.400 -11.567 -11.406 1.00 0.00 C ATOM 1646 ND1 HIS A 103 17.452 -10.663 -11.065 1.00 0.00 N flip ATOM 1647 CD2 HIS A 103 19.609 -10.969 -11.128 1.00 0.00 C flip ATOM 1648 CE1 HIS A 103 18.097 -9.551 -10.590 1.00 0.00 C flip ATOM 1649 NE2 HIS A 103 19.399 -9.761 -10.639 1.00 0.00 N flip ATOM 0 H HIS A 103 16.498 -12.586 -10.147 1.00 0.00 H new ATOM 0 HA HIS A 103 17.500 -14.910 -11.598 1.00 0.00 H new ATOM 0 HB2 HIS A 103 19.253 -13.260 -12.359 1.00 0.00 H new ATOM 0 HB3 HIS A 103 17.608 -12.907 -12.848 1.00 0.00 H new ATOM 0 HD2 HIS A 103 20.578 -11.419 -11.286 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.618 -8.651 -10.234 1.00 0.00 H new ATOM 0 HE2 HIS A 103 20.121 -9.102 -10.348 1.00 0.00 H new ATOM 1658 N HIS A 104 18.757 -15.695 -9.578 1.00 0.00 N ATOM 1659 CA HIS A 104 19.765 -16.309 -8.710 1.00 0.00 C ATOM 1660 C HIS A 104 19.318 -17.723 -8.347 1.00 0.00 C ATOM 1661 O HIS A 104 20.116 -18.659 -8.326 1.00 0.00 O ATOM 1662 CB HIS A 104 19.996 -15.494 -7.425 1.00 0.00 C ATOM 1663 CG HIS A 104 21.308 -15.794 -6.751 1.00 0.00 C ATOM 1664 ND1 HIS A 104 22.232 -14.823 -6.429 1.00 0.00 N ATOM 1665 CD2 HIS A 104 21.851 -16.967 -6.343 1.00 0.00 C ATOM 1666 CE1 HIS A 104 23.280 -15.385 -5.859 1.00 0.00 C ATOM 1667 NE2 HIS A 104 23.077 -16.687 -5.794 1.00 0.00 N ATOM 0 H HIS A 104 17.989 -16.321 -9.819 1.00 0.00 H new ATOM 0 HA HIS A 104 20.708 -16.335 -9.255 1.00 0.00 H new ATOM 0 HB2 HIS A 104 19.955 -14.432 -7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 104 19.184 -15.694 -6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 104 21.401 -17.944 -6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 104 24.158 -14.866 -5.504 1.00 0.00 H new ATOM 0 HE2 HIS A 104 23.723 -17.371 -5.401 1.00 0.00 H new ATOM 1676 N HIS A 105 18.031 -17.865 -8.059 1.00 0.00 N ATOM 1677 CA HIS A 105 17.434 -19.159 -7.748 1.00 0.00 C ATOM 1678 C HIS A 105 16.064 -19.258 -8.390 1.00 0.00 C ATOM 1679 O HIS A 105 15.891 -20.095 -9.293 1.00 0.00 O ATOM 1680 CB HIS A 105 17.307 -19.376 -6.234 1.00 0.00 C ATOM 1681 CG HIS A 105 18.549 -19.893 -5.577 1.00 0.00 C ATOM 1682 ND1 HIS A 105 19.225 -19.201 -4.597 1.00 0.00 N ATOM 1683 CD2 HIS A 105 19.220 -21.059 -5.739 1.00 0.00 C ATOM 1684 CE1 HIS A 105 20.256 -19.915 -4.185 1.00 0.00 C ATOM 1685 NE2 HIS A 105 20.275 -21.044 -4.864 1.00 0.00 N ATOM 1686 OXT HIS A 105 15.182 -18.466 -8.005 1.00 0.00 O ATOM 0 H HIS A 105 17.371 -17.088 -8.034 1.00 0.00 H new ATOM 0 HA HIS A 105 18.090 -19.933 -8.146 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.029 -18.432 -5.766 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.493 -20.076 -6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.970 -21.852 -6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.963 -19.624 -3.422 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.964 -21.788 -4.756 1.00 0.00 H new TER 1695 HIS A 105