USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 795 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 42 GLN : amide:sc= -1.19! K(o=-1.5!,f=1.6) USER MOD Set 1.2: A 44 HIS : no HD1:sc= -0.273 K(o=-1.5,f=-4.3) USER MOD Set 2.1: A 1 GLU N :NH3+ -142:sc= -0.0266 (180deg=-0.502) USER MOD Set 2.2: A 4 SER OG : rot -31:sc= 0.866 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00633 X(o=-0.0063,f=-0.004) USER MOD Single : A 9 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.4!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -1:sc= -2.66! USER MOD Single : A 15 ASN : amide:sc= -0.611 K(o=-0.61,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.753 (180deg=0.648) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 153:sc= 0.0519 USER MOD Single : A 30 SER OG : rot -11:sc= -0.961 USER MOD Single : A 36 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.19) USER MOD Single : A 37 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 38 TYR OH : rot 53:sc= 0.0421 USER MOD Single : A 39 GLN : amide:sc= -3.93! C(o=-3.9!,f=-8.8!) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.0141 (180deg=-0.168) USER MOD Single : A 45 THR OG1 : rot 13:sc= 0.646 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -109:sc= -1.02 (180deg=-4.48!) USER MOD Single : A 54 SER OG : rot 180:sc= -1.83! USER MOD Single : A 60 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 64 ASN : amide:sc= -5.08! K(o=-5.1!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -2.69! C(o=-2.7!,f=-6.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.609 K(o=-0.61,f=-3!) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc=-0.00791 (180deg=-0.215) USER MOD Single : B 1 ASN : amide:sc= -0.772 K(o=-0.77,f=-3.6!) USER MOD Single : B 1 ASN N :NH3+ -140:sc= 0.756 (180deg=0.206) USER MOD Single : B 3 GLN : amide:sc= -5.88! K(o=-5.9!,f=-2.9) USER MOD Single : B 4 MET CE :methyl -176:sc= -0.843 (180deg=-1.06) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -2.191 20.190 -6.733 1.00 0.00 N ATOM 2 CA GLU A 1 -3.097 20.466 -5.588 1.00 0.00 C ATOM 3 C GLU A 1 -4.524 20.729 -6.069 1.00 0.00 C ATOM 4 O GLU A 1 -5.000 20.081 -7.003 1.00 0.00 O ATOM 5 CB GLU A 1 -2.556 21.680 -4.828 1.00 0.00 C ATOM 6 CG GLU A 1 -1.148 21.484 -4.288 1.00 0.00 C ATOM 7 CD GLU A 1 -0.624 22.711 -3.565 1.00 0.00 C ATOM 8 OE1 GLU A 1 -0.523 23.778 -4.206 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.316 22.603 -2.360 1.00 0.00 O ATOM 0 H1 GLU A 1 -1.511 19.449 -6.467 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.751 19.870 -7.549 1.00 0.00 H new ATOM 0 H3 GLU A 1 -1.676 21.058 -6.985 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.130 19.597 -4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -2.565 22.546 -5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -3.226 21.907 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.140 20.634 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.478 21.238 -5.112 1.00 0.00 H new ATOM 18 N SER A 2 -5.202 21.682 -5.429 1.00 0.00 N ATOM 19 CA SER A 2 -6.572 22.030 -5.794 1.00 0.00 C ATOM 20 C SER A 2 -7.476 20.800 -5.766 1.00 0.00 C ATOM 21 O SER A 2 -8.273 20.583 -6.678 1.00 0.00 O ATOM 22 CB SER A 2 -6.605 22.674 -7.183 1.00 0.00 C ATOM 23 OG SER A 2 -5.826 23.857 -7.215 1.00 0.00 O ATOM 0 H SER A 2 -4.823 22.226 -4.654 1.00 0.00 H new ATOM 0 HA SER A 2 -6.945 22.746 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.230 21.968 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.635 22.905 -7.456 1.00 0.00 H new ATOM 0 HG SER A 2 -5.862 24.248 -8.113 1.00 0.00 H new ATOM 29 N ASP A 3 -7.344 19.997 -4.711 1.00 0.00 N ATOM 30 CA ASP A 3 -8.147 18.788 -4.563 1.00 0.00 C ATOM 31 C ASP A 3 -7.940 17.853 -5.751 1.00 0.00 C ATOM 32 O ASP A 3 -8.899 17.457 -6.417 1.00 0.00 O ATOM 33 CB ASP A 3 -9.631 19.145 -4.425 1.00 0.00 C ATOM 34 CG ASP A 3 -9.912 20.012 -3.212 1.00 0.00 C ATOM 35 OD1 ASP A 3 -8.957 20.328 -2.472 1.00 0.00 O ATOM 36 OD2 ASP A 3 -11.089 20.373 -3.002 1.00 0.00 O ATOM 0 H ASP A 3 -6.688 20.163 -3.947 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.824 18.274 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.961 19.666 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.217 18.228 -4.355 1.00 0.00 H new ATOM 41 N SER A 4 -6.682 17.511 -6.015 1.00 0.00 N ATOM 42 CA SER A 4 -6.336 16.637 -7.115 1.00 0.00 C ATOM 43 C SER A 4 -7.148 15.357 -7.080 1.00 0.00 C ATOM 44 O SER A 4 -7.422 14.803 -6.015 1.00 0.00 O ATOM 45 CB SER A 4 -4.861 16.302 -7.061 1.00 0.00 C ATOM 46 OG SER A 4 -4.094 17.411 -6.625 1.00 0.00 O ATOM 0 H SER A 4 -5.882 17.834 -5.471 1.00 0.00 H new ATOM 0 HA SER A 4 -6.563 17.160 -8.044 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.702 15.460 -6.387 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.521 15.988 -8.048 1.00 0.00 H new ATOM 0 HG SER A 4 -4.527 18.242 -6.913 1.00 0.00 H new ATOM 52 N VAL A 5 -7.519 14.895 -8.260 1.00 0.00 N ATOM 53 CA VAL A 5 -8.294 13.674 -8.399 1.00 0.00 C ATOM 54 C VAL A 5 -7.530 12.489 -7.829 1.00 0.00 C ATOM 55 O VAL A 5 -8.102 11.636 -7.159 1.00 0.00 O ATOM 56 CB VAL A 5 -8.622 13.391 -9.875 1.00 0.00 C ATOM 57 CG1 VAL A 5 -9.369 12.073 -10.016 1.00 0.00 C ATOM 58 CG2 VAL A 5 -9.427 14.537 -10.472 1.00 0.00 C ATOM 0 H VAL A 5 -7.294 15.351 -9.144 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.223 13.813 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.685 13.309 -10.426 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.592 11.892 -11.068 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.751 11.262 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.300 12.120 -9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.650 14.320 -11.517 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.359 14.654 -9.919 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.849 15.459 -10.409 1.00 0.00 H new ATOM 68 N GLU A 6 -6.232 12.450 -8.113 1.00 0.00 N ATOM 69 CA GLU A 6 -5.362 11.373 -7.647 1.00 0.00 C ATOM 70 C GLU A 6 -5.379 11.254 -6.124 1.00 0.00 C ATOM 71 O GLU A 6 -5.347 10.149 -5.582 1.00 0.00 O ATOM 72 CB GLU A 6 -3.933 11.608 -8.135 1.00 0.00 C ATOM 73 CG GLU A 6 -3.818 11.724 -9.648 1.00 0.00 C ATOM 74 CD GLU A 6 -2.395 11.973 -10.111 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.493 12.048 -9.251 1.00 0.00 O ATOM 76 OE2 GLU A 6 -2.183 12.092 -11.336 1.00 0.00 O ATOM 0 H GLU A 6 -5.755 13.159 -8.669 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.740 10.437 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.547 12.520 -7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.301 10.788 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.190 10.808 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.456 12.537 -9.995 1.00 0.00 H new ATOM 83 N PHE A 7 -5.421 12.393 -5.439 1.00 0.00 N ATOM 84 CA PHE A 7 -5.434 12.407 -3.977 1.00 0.00 C ATOM 85 C PHE A 7 -6.649 11.661 -3.437 1.00 0.00 C ATOM 86 O PHE A 7 -6.511 10.692 -2.690 1.00 0.00 O ATOM 87 CB PHE A 7 -5.430 13.849 -3.459 1.00 0.00 C ATOM 88 CG PHE A 7 -5.436 13.960 -1.958 1.00 0.00 C ATOM 89 CD1 PHE A 7 -4.611 13.158 -1.181 1.00 0.00 C ATOM 90 CD2 PHE A 7 -6.265 14.871 -1.323 1.00 0.00 C ATOM 91 CE1 PHE A 7 -4.617 13.263 0.197 1.00 0.00 C ATOM 92 CE2 PHE A 7 -6.275 14.979 0.054 1.00 0.00 C ATOM 93 CZ PHE A 7 -5.450 14.174 0.815 1.00 0.00 C ATOM 0 H PHE A 7 -5.447 13.317 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.535 11.901 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.550 14.361 -3.847 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.302 14.369 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.957 12.444 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.911 15.505 -1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.971 12.633 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.927 15.692 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.457 14.257 1.892 1.00 0.00 H new ATOM 103 N ASN A 8 -7.838 12.098 -3.840 1.00 0.00 N ATOM 104 CA ASN A 8 -9.068 11.457 -3.420 1.00 0.00 C ATOM 105 C ASN A 8 -9.121 10.049 -3.986 1.00 0.00 C ATOM 106 O ASN A 8 -9.675 9.132 -3.381 1.00 0.00 O ATOM 107 CB ASN A 8 -10.258 12.284 -3.897 1.00 0.00 C ATOM 108 CG ASN A 8 -11.477 11.440 -4.174 1.00 0.00 C ATOM 109 OD1 ASN A 8 -12.065 10.849 -3.268 1.00 0.00 O ATOM 110 ND2 ASN A 8 -11.851 11.371 -5.442 1.00 0.00 N ATOM 0 H ASN A 8 -7.970 12.897 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.106 11.393 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.502 13.032 -3.142 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.981 12.824 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.660 10.809 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.330 11.880 -6.156 1.00 0.00 H new ATOM 117 N ASN A 9 -8.514 9.900 -5.155 1.00 0.00 N ATOM 118 CA ASN A 9 -8.440 8.624 -5.844 1.00 0.00 C ATOM 119 C ASN A 9 -7.812 7.582 -4.928 1.00 0.00 C ATOM 120 O ASN A 9 -8.275 6.445 -4.842 1.00 0.00 O ATOM 121 CB ASN A 9 -7.598 8.788 -7.110 1.00 0.00 C ATOM 122 CG ASN A 9 -7.657 7.606 -8.038 1.00 0.00 C ATOM 123 OD1 ASN A 9 -7.569 6.453 -7.616 1.00 0.00 O ATOM 124 ND2 ASN A 9 -7.769 7.899 -9.321 1.00 0.00 N ATOM 0 H ASN A 9 -8.058 10.665 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.442 8.292 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.934 9.676 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.561 8.962 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.786 7.152 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.839 8.872 -9.618 1.00 0.00 H new ATOM 131 N ALA A 10 -6.753 7.996 -4.238 1.00 0.00 N ATOM 132 CA ALA A 10 -6.044 7.128 -3.309 1.00 0.00 C ATOM 133 C ALA A 10 -6.869 6.888 -2.047 1.00 0.00 C ATOM 134 O ALA A 10 -6.970 5.759 -1.562 1.00 0.00 O ATOM 135 CB ALA A 10 -4.697 7.737 -2.951 1.00 0.00 C ATOM 0 H ALA A 10 -6.366 8.937 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.881 6.166 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.174 7.080 -2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.100 7.857 -3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.850 8.711 -2.485 1.00 0.00 H new ATOM 141 N ILE A 11 -7.455 7.963 -1.521 1.00 0.00 N ATOM 142 CA ILE A 11 -8.268 7.882 -0.312 1.00 0.00 C ATOM 143 C ILE A 11 -9.351 6.819 -0.451 1.00 0.00 C ATOM 144 O ILE A 11 -9.600 6.050 0.475 1.00 0.00 O ATOM 145 CB ILE A 11 -8.939 9.231 0.011 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.900 10.353 0.091 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.716 9.132 1.312 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.845 10.141 1.157 1.00 0.00 C ATOM 0 H ILE A 11 -7.381 8.901 -1.915 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.593 7.615 0.501 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.633 9.471 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.409 10.449 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.412 11.296 0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.185 10.091 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.485 8.365 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.036 8.869 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.147 10.978 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.323 10.076 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.304 9.216 0.955 1.00 0.00 H new ATOM 160 N SER A 12 -9.992 6.788 -1.612 1.00 0.00 N ATOM 161 CA SER A 12 -11.053 5.825 -1.879 1.00 0.00 C ATOM 162 C SER A 12 -10.553 4.395 -1.697 1.00 0.00 C ATOM 163 O SER A 12 -11.275 3.538 -1.189 1.00 0.00 O ATOM 164 CB SER A 12 -11.596 6.012 -3.297 1.00 0.00 C ATOM 165 OG SER A 12 -12.630 5.082 -3.574 1.00 0.00 O ATOM 0 H SER A 12 -9.795 7.421 -2.387 1.00 0.00 H new ATOM 0 HA SER A 12 -11.856 6.002 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.975 7.027 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.788 5.888 -4.018 1.00 0.00 H new ATOM 0 HG SER A 12 -12.961 5.223 -4.485 1.00 0.00 H new ATOM 171 N TYR A 13 -9.314 4.144 -2.115 1.00 0.00 N ATOM 172 CA TYR A 13 -8.723 2.815 -1.993 1.00 0.00 C ATOM 173 C TYR A 13 -8.581 2.420 -0.531 1.00 0.00 C ATOM 174 O TYR A 13 -9.078 1.379 -0.103 1.00 0.00 O ATOM 175 CB TYR A 13 -7.350 2.784 -2.663 1.00 0.00 C ATOM 176 CG TYR A 13 -6.651 1.444 -2.565 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.304 0.266 -2.910 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.335 1.358 -2.126 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.665 -0.957 -2.819 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.690 0.140 -2.032 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.359 -1.014 -2.381 1.00 0.00 C ATOM 182 OH TYR A 13 -4.723 -2.231 -2.285 1.00 0.00 O ATOM 0 H TYR A 13 -8.702 4.841 -2.540 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.385 2.104 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.463 3.048 -3.714 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.718 3.547 -2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.327 0.307 -3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.807 2.260 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.187 -1.863 -3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.668 0.092 -1.687 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.341 -2.945 -2.547 1.00 0.00 H new ATOM 192 N VAL A 14 -7.889 3.261 0.226 1.00 0.00 N ATOM 193 CA VAL A 14 -7.662 3.013 1.646 1.00 0.00 C ATOM 194 C VAL A 14 -8.978 2.849 2.399 1.00 0.00 C ATOM 195 O VAL A 14 -9.127 1.943 3.221 1.00 0.00 O ATOM 196 CB VAL A 14 -6.863 4.159 2.293 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.487 3.805 3.722 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.626 4.485 1.469 1.00 0.00 C ATOM 0 H VAL A 14 -7.473 4.125 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.089 2.088 1.714 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.494 5.048 2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.923 4.626 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.392 3.632 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.876 2.902 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.076 5.297 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.988 3.603 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.926 4.788 0.466 1.00 0.00 H new ATOM 208 N ASN A 15 -9.925 3.735 2.116 1.00 0.00 N ATOM 209 CA ASN A 15 -11.233 3.707 2.764 1.00 0.00 C ATOM 210 C ASN A 15 -11.923 2.375 2.544 1.00 0.00 C ATOM 211 O ASN A 15 -12.311 1.694 3.493 1.00 0.00 O ATOM 212 CB ASN A 15 -12.110 4.815 2.202 1.00 0.00 C ATOM 213 CG ASN A 15 -13.389 4.996 2.981 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.115 4.038 3.246 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.682 6.232 3.330 1.00 0.00 N ATOM 0 H ASN A 15 -9.811 4.488 1.437 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.081 3.853 3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.552 5.751 2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.351 4.591 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.542 6.427 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.049 6.994 3.088 1.00 0.00 H new ATOM 222 N LYS A 16 -12.079 2.021 1.278 1.00 0.00 N ATOM 223 CA LYS A 16 -12.735 0.772 0.903 1.00 0.00 C ATOM 224 C LYS A 16 -12.090 -0.407 1.622 1.00 0.00 C ATOM 225 O LYS A 16 -12.771 -1.348 2.027 1.00 0.00 O ATOM 226 CB LYS A 16 -12.669 0.561 -0.613 1.00 0.00 C ATOM 227 CG LYS A 16 -13.440 -0.658 -1.094 1.00 0.00 C ATOM 228 CD LYS A 16 -13.335 -0.825 -2.602 1.00 0.00 C ATOM 229 CE LYS A 16 -14.098 -2.050 -3.081 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.947 -2.259 -4.548 1.00 0.00 N ATOM 0 H LYS A 16 -11.760 2.582 0.488 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.781 0.836 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.060 1.448 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.626 0.461 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.056 -1.551 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.488 -0.562 -0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.726 0.065 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.287 -0.913 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.740 -2.932 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.154 -1.938 -2.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.482 -3.103 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.312 -1.428 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.941 -2.391 -4.778 1.00 0.00 H new ATOM 244 N ILE A 17 -10.776 -0.342 1.793 1.00 0.00 N ATOM 245 CA ILE A 17 -10.046 -1.396 2.483 1.00 0.00 C ATOM 246 C ILE A 17 -10.489 -1.479 3.939 1.00 0.00 C ATOM 247 O ILE A 17 -10.663 -2.568 4.487 1.00 0.00 O ATOM 248 CB ILE A 17 -8.527 -1.155 2.417 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.043 -1.274 0.971 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.785 -2.132 3.320 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.572 -0.975 0.795 1.00 0.00 C ATOM 0 H ILE A 17 -10.195 0.429 1.464 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.268 -2.339 1.983 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.316 -0.147 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.245 -2.283 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.620 -0.592 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.713 -1.943 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.117 -2.000 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.993 -3.153 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.303 -1.080 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.366 0.044 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.985 -1.673 1.391 1.00 0.00 H new ATOM 263 N LYS A 18 -10.677 -0.317 4.553 1.00 0.00 N ATOM 264 CA LYS A 18 -11.110 -0.241 5.943 1.00 0.00 C ATOM 265 C LYS A 18 -12.505 -0.830 6.100 1.00 0.00 C ATOM 266 O LYS A 18 -12.728 -1.735 6.905 1.00 0.00 O ATOM 267 CB LYS A 18 -11.125 1.216 6.404 1.00 0.00 C ATOM 268 CG LYS A 18 -11.467 1.389 7.877 1.00 0.00 C ATOM 269 CD LYS A 18 -11.584 2.857 8.261 1.00 0.00 C ATOM 270 CE LYS A 18 -10.270 3.598 8.071 1.00 0.00 C ATOM 271 NZ LYS A 18 -10.387 5.038 8.434 1.00 0.00 N ATOM 0 H LYS A 18 -10.536 0.590 4.108 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.411 -0.813 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.147 1.658 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.848 1.770 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.406 0.880 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.699 0.914 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.358 3.330 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.899 2.936 9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.498 3.131 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.950 3.510 7.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.449 5.485 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.029 5.513 7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.764 5.123 9.399 1.00 0.00 H new ATOM 285 N THR A 19 -13.437 -0.297 5.322 1.00 0.00 N ATOM 286 CA THR A 19 -14.823 -0.747 5.358 1.00 0.00 C ATOM 287 C THR A 19 -14.935 -2.230 5.024 1.00 0.00 C ATOM 288 O THR A 19 -15.827 -2.921 5.515 1.00 0.00 O ATOM 289 CB THR A 19 -15.710 0.065 4.391 1.00 0.00 C ATOM 290 OG1 THR A 19 -17.084 -0.303 4.558 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.299 -0.162 2.946 1.00 0.00 C ATOM 0 H THR A 19 -13.257 0.452 4.654 1.00 0.00 H new ATOM 0 HA THR A 19 -15.177 -0.586 6.376 1.00 0.00 H new ATOM 0 HB THR A 19 -15.581 1.121 4.626 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.640 0.218 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.942 0.423 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.263 0.147 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.397 -1.220 2.702 1.00 0.00 H new ATOM 299 N ARG A 20 -14.030 -2.716 4.184 1.00 0.00 N ATOM 300 CA ARG A 20 -14.037 -4.119 3.792 1.00 0.00 C ATOM 301 C ARG A 20 -13.674 -5.016 4.972 1.00 0.00 C ATOM 302 O ARG A 20 -14.426 -5.924 5.329 1.00 0.00 O ATOM 303 CB ARG A 20 -13.062 -4.353 2.635 1.00 0.00 C ATOM 304 CG ARG A 20 -12.930 -5.813 2.231 1.00 0.00 C ATOM 305 CD ARG A 20 -14.289 -6.441 1.978 1.00 0.00 C ATOM 306 NE ARG A 20 -14.185 -7.829 1.534 1.00 0.00 N ATOM 307 CZ ARG A 20 -13.624 -8.199 0.386 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.114 -7.290 -0.436 1.00 0.00 N ATOM 309 NH2 ARG A 20 -13.574 -9.483 0.056 1.00 0.00 N ATOM 0 H ARG A 20 -13.285 -2.162 3.763 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.045 -4.374 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.391 -3.775 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.080 -3.973 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.319 -5.890 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.413 -6.364 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.882 -6.398 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.821 -5.860 1.225 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.565 -8.557 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.151 -6.301 -0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.685 -7.580 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.966 -10.186 0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.144 -9.767 -0.824 1.00 0.00 H new ATOM 323 N PHE A 21 -12.515 -4.759 5.566 1.00 0.00 N ATOM 324 CA PHE A 21 -12.044 -5.544 6.701 1.00 0.00 C ATOM 325 C PHE A 21 -12.429 -4.907 8.037 1.00 0.00 C ATOM 326 O PHE A 21 -11.632 -4.893 8.975 1.00 0.00 O ATOM 327 CB PHE A 21 -10.524 -5.721 6.633 1.00 0.00 C ATOM 328 CG PHE A 21 -10.049 -6.498 5.434 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.993 -5.907 4.182 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.660 -7.821 5.564 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.555 -6.623 3.084 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.222 -8.542 4.470 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.169 -7.941 3.228 1.00 0.00 C ATOM 0 H PHE A 21 -11.883 -4.012 5.280 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.529 -6.518 6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.054 -4.737 6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.187 -6.227 7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.295 -4.877 4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.700 -8.295 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.515 -6.152 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.922 -9.573 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.826 -8.501 2.370 1.00 0.00 H new ATOM 343 N LEU A 22 -13.655 -4.392 8.128 1.00 0.00 N ATOM 344 CA LEU A 22 -14.130 -3.772 9.365 1.00 0.00 C ATOM 345 C LEU A 22 -14.041 -4.747 10.534 1.00 0.00 C ATOM 346 O LEU A 22 -13.764 -4.352 11.666 1.00 0.00 O ATOM 347 CB LEU A 22 -15.575 -3.290 9.211 1.00 0.00 C ATOM 348 CG LEU A 22 -15.763 -2.046 8.343 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.242 -1.736 8.170 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.037 -0.854 8.950 1.00 0.00 C ATOM 0 H LEU A 22 -14.333 -4.391 7.366 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.488 -2.915 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.167 -4.101 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.979 -3.085 10.202 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.334 -2.245 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.357 -0.847 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.737 -2.580 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.693 -1.558 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.183 0.022 8.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.435 -0.653 9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.972 -1.075 9.023 1.00 0.00 H new ATOM 362 N ASP A 23 -14.287 -6.021 10.250 1.00 0.00 N ATOM 363 CA ASP A 23 -14.246 -7.056 11.274 1.00 0.00 C ATOM 364 C ASP A 23 -12.808 -7.391 11.656 1.00 0.00 C ATOM 365 O ASP A 23 -12.505 -7.614 12.828 1.00 0.00 O ATOM 366 CB ASP A 23 -14.966 -8.311 10.780 1.00 0.00 C ATOM 367 CG ASP A 23 -15.037 -9.405 11.829 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.592 -9.168 12.972 1.00 0.00 O ATOM 369 OD2 ASP A 23 -15.548 -10.498 11.509 1.00 0.00 O ATOM 0 H ASP A 23 -14.517 -6.362 9.317 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.754 -6.678 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.977 -8.045 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.453 -8.694 9.898 1.00 0.00 H new ATOM 374 N HIS A 24 -11.927 -7.440 10.657 1.00 0.00 N ATOM 375 CA HIS A 24 -10.531 -7.757 10.875 1.00 0.00 C ATOM 376 C HIS A 24 -9.644 -6.517 10.708 1.00 0.00 C ATOM 377 O HIS A 24 -8.985 -6.355 9.682 1.00 0.00 O ATOM 378 CB HIS A 24 -10.112 -8.838 9.889 1.00 0.00 C ATOM 379 CG HIS A 24 -10.901 -10.103 10.018 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.914 -10.869 11.165 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.716 -10.732 9.138 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.702 -11.914 10.985 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.200 -11.854 9.763 1.00 0.00 N ATOM 0 H HIS A 24 -12.167 -7.261 9.682 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.407 -8.114 11.897 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.219 -8.454 8.874 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.055 -9.062 10.035 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.943 -10.411 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.904 -12.686 11.713 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.841 -12.532 9.351 1.00 0.00 H new ATOM 392 N PRO A 25 -9.614 -5.622 11.716 1.00 0.00 N ATOM 393 CA PRO A 25 -8.799 -4.401 11.666 1.00 0.00 C ATOM 394 C PRO A 25 -7.312 -4.701 11.512 1.00 0.00 C ATOM 395 O PRO A 25 -6.582 -3.947 10.868 1.00 0.00 O ATOM 396 CB PRO A 25 -9.073 -3.722 13.008 1.00 0.00 C ATOM 397 CG PRO A 25 -9.602 -4.801 13.888 1.00 0.00 C ATOM 398 CD PRO A 25 -10.359 -5.725 12.980 1.00 0.00 C ATOM 0 HA PRO A 25 -9.055 -3.782 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.164 -3.286 13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.795 -2.912 12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.792 -5.326 14.395 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.252 -4.393 14.662 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.371 -6.746 13.361 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.398 -5.416 12.864 1.00 0.00 H new ATOM 406 N GLU A 26 -6.870 -5.807 12.108 1.00 0.00 N ATOM 407 CA GLU A 26 -5.469 -6.212 12.038 1.00 0.00 C ATOM 408 C GLU A 26 -4.978 -6.226 10.592 1.00 0.00 C ATOM 409 O GLU A 26 -3.819 -5.918 10.315 1.00 0.00 O ATOM 410 CB GLU A 26 -5.283 -7.595 12.666 1.00 0.00 C ATOM 411 CG GLU A 26 -6.097 -8.687 11.989 1.00 0.00 C ATOM 412 CD GLU A 26 -5.896 -10.047 12.629 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.745 -10.530 12.649 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.891 -10.630 13.110 1.00 0.00 O ATOM 0 H GLU A 26 -7.464 -6.439 12.645 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.879 -5.486 12.596 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.227 -7.863 12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.561 -7.547 13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.154 -8.424 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.821 -8.741 10.936 1.00 0.00 H new ATOM 421 N ILE A 27 -5.874 -6.582 9.675 1.00 0.00 N ATOM 422 CA ILE A 27 -5.543 -6.633 8.255 1.00 0.00 C ATOM 423 C ILE A 27 -5.205 -5.238 7.744 1.00 0.00 C ATOM 424 O ILE A 27 -4.219 -5.042 7.034 1.00 0.00 O ATOM 425 CB ILE A 27 -6.721 -7.176 7.428 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.389 -8.351 8.148 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.242 -7.586 6.040 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.650 -9.661 8.034 1.00 0.00 C ATOM 0 H ILE A 27 -6.837 -6.840 9.891 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.686 -7.297 8.143 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.465 -6.387 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.496 -8.100 9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.395 -8.481 7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.084 -7.969 5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.817 -6.721 5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.482 -8.362 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.196 -10.435 8.574 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.566 -9.941 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.653 -9.555 8.462 1.00 0.00 H new ATOM 440 N TYR A 28 -6.042 -4.274 8.116 1.00 0.00 N ATOM 441 CA TYR A 28 -5.859 -2.888 7.711 1.00 0.00 C ATOM 442 C TYR A 28 -4.508 -2.361 8.183 1.00 0.00 C ATOM 443 O TYR A 28 -3.751 -1.780 7.407 1.00 0.00 O ATOM 444 CB TYR A 28 -6.983 -2.031 8.286 1.00 0.00 C ATOM 445 CG TYR A 28 -6.941 -0.584 7.860 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.115 -0.230 6.531 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.728 0.428 8.788 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.080 1.093 6.134 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.691 1.753 8.401 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.867 2.081 7.073 1.00 0.00 C ATOM 451 OH TYR A 28 -6.832 3.399 6.685 1.00 0.00 O ATOM 0 H TYR A 28 -6.861 -4.432 8.703 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.886 -2.837 6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.940 -2.458 7.986 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.940 -2.079 9.374 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.281 -1.001 5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.589 0.174 9.829 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.219 1.352 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.525 2.528 9.134 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.107 3.968 7.434 1.00 0.00 H new ATOM 461 N ARG A 29 -4.218 -2.575 9.463 1.00 0.00 N ATOM 462 CA ARG A 29 -2.963 -2.130 10.056 1.00 0.00 C ATOM 463 C ARG A 29 -1.761 -2.689 9.303 1.00 0.00 C ATOM 464 O ARG A 29 -0.896 -1.938 8.853 1.00 0.00 O ATOM 465 CB ARG A 29 -2.906 -2.573 11.514 1.00 0.00 C ATOM 466 CG ARG A 29 -3.945 -1.900 12.393 1.00 0.00 C ATOM 467 CD ARG A 29 -3.706 -0.401 12.496 1.00 0.00 C ATOM 468 NE ARG A 29 -4.714 0.257 13.322 1.00 0.00 N ATOM 469 CZ ARG A 29 -4.737 1.566 13.558 1.00 0.00 C ATOM 470 NH1 ARG A 29 -3.804 2.355 13.040 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.691 2.087 14.316 1.00 0.00 N ATOM 0 H ARG A 29 -4.840 -3.057 10.112 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.923 -1.043 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.045 -3.653 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.913 -2.361 11.911 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.940 -2.083 11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.921 -2.342 13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.717 -0.219 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.713 0.037 11.498 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.442 -0.320 13.742 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.066 1.958 12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.825 3.358 13.223 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.408 1.484 14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.708 3.091 14.496 1.00 0.00 H new ATOM 485 N SER A 30 -1.717 -4.009 9.177 1.00 0.00 N ATOM 486 CA SER A 30 -0.623 -4.680 8.483 1.00 0.00 C ATOM 487 C SER A 30 -0.416 -4.103 7.083 1.00 0.00 C ATOM 488 O SER A 30 0.708 -3.768 6.708 1.00 0.00 O ATOM 489 CB SER A 30 -0.894 -6.182 8.408 1.00 0.00 C ATOM 490 OG SER A 30 -2.196 -6.441 7.921 1.00 0.00 O ATOM 0 H SER A 30 -2.428 -4.639 9.547 1.00 0.00 H new ATOM 0 HA SER A 30 0.293 -4.512 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.158 -6.655 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.777 -6.625 9.397 1.00 0.00 H new ATOM 0 HG SER A 30 -2.710 -5.607 7.903 1.00 0.00 H new ATOM 496 N PHE A 31 -1.501 -3.976 6.319 1.00 0.00 N ATOM 497 CA PHE A 31 -1.425 -3.421 4.969 1.00 0.00 C ATOM 498 C PHE A 31 -0.683 -2.089 4.982 1.00 0.00 C ATOM 499 O PHE A 31 0.180 -1.838 4.140 1.00 0.00 O ATOM 500 CB PHE A 31 -2.829 -3.219 4.393 1.00 0.00 C ATOM 501 CG PHE A 31 -2.849 -2.401 3.130 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.321 -2.901 1.952 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.388 -1.123 3.130 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.334 -2.145 0.794 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.404 -0.364 1.976 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.876 -0.876 0.807 1.00 0.00 C ATOM 0 H PHE A 31 -2.439 -4.249 6.611 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.881 -4.127 4.342 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.274 -4.193 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.453 -2.732 5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.894 -3.893 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.800 -0.717 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.921 -2.547 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.829 0.629 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.887 -0.284 -0.096 1.00 0.00 H new ATOM 516 N LEU A 32 -1.026 -1.239 5.944 1.00 0.00 N ATOM 517 CA LEU A 32 -0.392 0.066 6.070 1.00 0.00 C ATOM 518 C LEU A 32 1.095 -0.094 6.359 1.00 0.00 C ATOM 519 O LEU A 32 1.935 0.511 5.692 1.00 0.00 O ATOM 520 CB LEU A 32 -1.063 0.871 7.183 1.00 0.00 C ATOM 521 CG LEU A 32 -2.579 1.018 7.047 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.147 1.823 8.203 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.930 1.667 5.720 1.00 0.00 C ATOM 0 H LEU A 32 -1.739 -1.431 6.647 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.507 0.603 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.843 0.395 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.617 1.865 7.212 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.025 0.024 7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.227 1.915 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.926 1.317 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.697 2.816 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.012 1.765 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.471 2.654 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.559 1.048 4.903 1.00 0.00 H new ATOM 535 N GLU A 33 1.408 -0.930 7.346 1.00 0.00 N ATOM 536 CA GLU A 33 2.791 -1.191 7.726 1.00 0.00 C ATOM 537 C GLU A 33 3.603 -1.624 6.515 1.00 0.00 C ATOM 538 O GLU A 33 4.801 -1.374 6.448 1.00 0.00 O ATOM 539 CB GLU A 33 2.852 -2.269 8.811 1.00 0.00 C ATOM 540 CG GLU A 33 2.125 -1.890 10.092 1.00 0.00 C ATOM 541 CD GLU A 33 2.740 -0.690 10.789 1.00 0.00 C ATOM 542 OE1 GLU A 33 2.751 0.408 10.191 1.00 0.00 O ATOM 543 OE2 GLU A 33 3.212 -0.847 11.934 1.00 0.00 O ATOM 0 H GLU A 33 0.718 -1.439 7.898 1.00 0.00 H new ATOM 0 HA GLU A 33 3.218 -0.269 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.422 -3.191 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.896 -2.478 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.082 -1.674 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.131 -2.741 10.773 1.00 0.00 H new ATOM 550 N ILE A 34 2.941 -2.263 5.554 1.00 0.00 N ATOM 551 CA ILE A 34 3.610 -2.706 4.340 1.00 0.00 C ATOM 552 C ILE A 34 4.179 -1.509 3.588 1.00 0.00 C ATOM 553 O ILE A 34 5.354 -1.488 3.222 1.00 0.00 O ATOM 554 CB ILE A 34 2.648 -3.473 3.424 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.151 -4.724 4.143 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.334 -3.838 2.114 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.119 -5.489 3.360 1.00 0.00 C ATOM 0 H ILE A 34 1.946 -2.484 5.594 1.00 0.00 H new ATOM 0 HA ILE A 34 4.420 -3.375 4.631 1.00 0.00 H new ATOM 0 HB ILE A 34 1.794 -2.838 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.999 -5.377 4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.728 -4.438 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.636 -4.382 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.656 -2.929 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.201 -4.465 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.808 -6.366 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.255 -4.851 3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.545 -5.805 2.408 1.00 0.00 H new ATOM 569 N LEU A 35 3.336 -0.497 3.391 1.00 0.00 N ATOM 570 CA LEU A 35 3.753 0.722 2.713 1.00 0.00 C ATOM 571 C LEU A 35 4.787 1.441 3.572 1.00 0.00 C ATOM 572 O LEU A 35 5.797 1.947 3.077 1.00 0.00 O ATOM 573 CB LEU A 35 2.540 1.622 2.457 1.00 0.00 C ATOM 574 CG LEU A 35 1.431 0.987 1.609 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.174 1.843 1.633 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.904 0.784 0.177 1.00 0.00 C ATOM 0 H LEU A 35 2.361 -0.500 3.692 1.00 0.00 H new ATOM 0 HA LEU A 35 4.200 0.474 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.118 1.919 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.879 2.532 1.962 1.00 0.00 H new ATOM 0 HG LEU A 35 1.192 0.014 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.598 1.372 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.181 1.940 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.399 2.831 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.104 0.333 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.174 1.747 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.774 0.127 0.171 1.00 0.00 H new ATOM 588 N HIS A 36 4.529 1.448 4.876 1.00 0.00 N ATOM 589 CA HIS A 36 5.426 2.065 5.839 1.00 0.00 C ATOM 590 C HIS A 36 6.794 1.397 5.787 1.00 0.00 C ATOM 591 O HIS A 36 7.827 2.060 5.875 1.00 0.00 O ATOM 592 CB HIS A 36 4.835 1.965 7.247 1.00 0.00 C ATOM 593 CG HIS A 36 4.376 3.281 7.786 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.198 4.384 7.868 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.174 3.671 8.268 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.520 5.397 8.376 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.289 4.990 8.627 1.00 0.00 N ATOM 0 H HIS A 36 3.697 1.028 5.290 1.00 0.00 H new ATOM 0 HA HIS A 36 5.545 3.118 5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.994 1.272 7.233 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.583 1.545 7.919 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.289 3.058 8.354 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.906 6.389 8.556 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.544 5.563 9.024 1.00 0.00 H new ATOM 606 N THR A 37 6.785 0.078 5.619 1.00 0.00 N ATOM 607 CA THR A 37 8.015 -0.694 5.527 1.00 0.00 C ATOM 608 C THR A 37 8.824 -0.224 4.330 1.00 0.00 C ATOM 609 O THR A 37 10.053 -0.154 4.383 1.00 0.00 O ATOM 610 CB THR A 37 7.725 -2.203 5.395 1.00 0.00 C ATOM 611 OG1 THR A 37 7.041 -2.675 6.562 1.00 0.00 O ATOM 612 CG2 THR A 37 9.009 -2.997 5.205 1.00 0.00 C ATOM 0 H THR A 37 5.934 -0.479 5.544 1.00 0.00 H new ATOM 0 HA THR A 37 8.582 -0.537 6.445 1.00 0.00 H new ATOM 0 HB THR A 37 7.096 -2.347 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.171 -2.230 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.771 -4.057 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.514 -2.660 4.300 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.662 -2.843 6.064 1.00 0.00 H new ATOM 620 N TYR A 38 8.117 0.117 3.258 1.00 0.00 N ATOM 621 CA TYR A 38 8.756 0.603 2.050 1.00 0.00 C ATOM 622 C TYR A 38 9.563 1.859 2.356 1.00 0.00 C ATOM 623 O TYR A 38 10.780 1.888 2.172 1.00 0.00 O ATOM 624 CB TYR A 38 7.699 0.913 0.994 1.00 0.00 C ATOM 625 CG TYR A 38 8.273 1.498 -0.269 1.00 0.00 C ATOM 626 CD1 TYR A 38 9.033 0.727 -1.135 1.00 0.00 C ATOM 627 CD2 TYR A 38 8.058 2.827 -0.585 1.00 0.00 C ATOM 628 CE1 TYR A 38 9.565 1.269 -2.289 1.00 0.00 C ATOM 629 CE2 TYR A 38 8.585 3.380 -1.734 1.00 0.00 C ATOM 630 CZ TYR A 38 9.338 2.597 -2.583 1.00 0.00 C ATOM 631 OH TYR A 38 9.867 3.144 -3.730 1.00 0.00 O ATOM 0 H TYR A 38 7.100 0.064 3.205 1.00 0.00 H new ATOM 0 HA TYR A 38 9.427 -0.167 1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.160 -0.002 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.972 1.610 1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.212 -0.313 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.468 3.442 0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.154 0.657 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.409 4.420 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 38 9.614 2.595 -4.501 1.00 0.00 H new ATOM 641 N GLN A 39 8.872 2.892 2.837 1.00 0.00 N ATOM 642 CA GLN A 39 9.513 4.149 3.186 1.00 0.00 C ATOM 643 C GLN A 39 10.693 3.935 4.128 1.00 0.00 C ATOM 644 O GLN A 39 11.666 4.681 4.086 1.00 0.00 O ATOM 645 CB GLN A 39 8.496 5.089 3.820 1.00 0.00 C ATOM 646 CG GLN A 39 7.797 5.972 2.815 1.00 0.00 C ATOM 647 CD GLN A 39 7.402 5.236 1.556 1.00 0.00 C ATOM 648 OE1 GLN A 39 6.586 4.315 1.583 1.00 0.00 O ATOM 649 NE2 GLN A 39 8.000 5.640 0.445 1.00 0.00 N ATOM 0 H GLN A 39 7.864 2.878 2.993 1.00 0.00 H new ATOM 0 HA GLN A 39 9.899 4.597 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.752 4.501 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.999 5.715 4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.906 6.400 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.451 6.803 2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.669 6.409 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.791 5.182 -0.442 1.00 0.00 H new ATOM 658 N LYS A 40 10.609 2.916 4.976 1.00 0.00 N ATOM 659 CA LYS A 40 11.695 2.630 5.904 1.00 0.00 C ATOM 660 C LYS A 40 12.976 2.347 5.124 1.00 0.00 C ATOM 661 O LYS A 40 13.860 3.198 5.035 1.00 0.00 O ATOM 662 CB LYS A 40 11.339 1.438 6.799 1.00 0.00 C ATOM 663 CG LYS A 40 10.182 1.710 7.750 1.00 0.00 C ATOM 664 CD LYS A 40 10.532 2.785 8.769 1.00 0.00 C ATOM 665 CE LYS A 40 9.391 3.023 9.744 1.00 0.00 C ATOM 666 NZ LYS A 40 8.158 3.497 9.054 1.00 0.00 N ATOM 0 H LYS A 40 9.812 2.283 5.040 1.00 0.00 H new ATOM 0 HA LYS A 40 11.852 3.499 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.087 0.585 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.217 1.157 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.307 2.021 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.914 0.790 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.426 2.489 9.319 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.769 3.715 8.251 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.174 2.099 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.697 3.759 10.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.462 3.808 9.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.395 4.293 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.756 2.721 8.490 1.00 0.00 H new ATOM 680 N GLU A 41 13.056 1.156 4.538 1.00 0.00 N ATOM 681 CA GLU A 41 14.215 0.773 3.739 1.00 0.00 C ATOM 682 C GLU A 41 14.103 1.337 2.322 1.00 0.00 C ATOM 683 O GLU A 41 14.463 0.671 1.350 1.00 0.00 O ATOM 684 CB GLU A 41 14.343 -0.751 3.690 1.00 0.00 C ATOM 685 CG GLU A 41 14.482 -1.393 5.060 1.00 0.00 C ATOM 686 CD GLU A 41 14.581 -2.903 4.989 1.00 0.00 C ATOM 687 OE1 GLU A 41 13.638 -3.537 4.472 1.00 0.00 O ATOM 688 OE2 GLU A 41 15.604 -3.453 5.451 1.00 0.00 O ATOM 0 H GLU A 41 12.332 0.440 4.601 1.00 0.00 H new ATOM 0 HA GLU A 41 15.108 1.188 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.467 -1.165 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.210 -1.015 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.369 -0.997 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.625 -1.117 5.675 1.00 0.00 H new ATOM 695 N GLN A 42 13.586 2.559 2.211 1.00 0.00 N ATOM 696 CA GLN A 42 13.406 3.208 0.926 1.00 0.00 C ATOM 697 C GLN A 42 14.747 3.538 0.263 1.00 0.00 C ATOM 698 O GLN A 42 15.667 2.721 0.262 1.00 0.00 O ATOM 699 CB GLN A 42 12.579 4.477 1.123 1.00 0.00 C ATOM 700 CG GLN A 42 13.265 5.543 1.968 1.00 0.00 C ATOM 701 CD GLN A 42 12.423 6.797 2.141 1.00 0.00 C ATOM 702 OE1 GLN A 42 12.838 7.746 2.806 1.00 0.00 O ATOM 703 NE2 GLN A 42 11.234 6.811 1.544 1.00 0.00 N ATOM 0 H GLN A 42 13.283 3.120 3.008 1.00 0.00 H new ATOM 0 HA GLN A 42 12.882 2.523 0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.343 4.899 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.632 4.211 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.495 5.128 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 42 14.215 5.811 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.926 6.004 1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.630 7.629 1.629 1.00 0.00 H new ATOM 712 N LEU A 43 14.840 4.741 -0.304 1.00 0.00 N ATOM 713 CA LEU A 43 16.051 5.196 -0.976 1.00 0.00 C ATOM 714 C LEU A 43 17.222 5.264 0.011 1.00 0.00 C ATOM 715 O LEU A 43 17.601 4.252 0.600 1.00 0.00 O ATOM 716 CB LEU A 43 15.815 6.563 -1.623 1.00 0.00 C ATOM 717 CG LEU A 43 14.347 6.954 -1.848 1.00 0.00 C ATOM 718 CD1 LEU A 43 14.255 8.349 -2.446 1.00 0.00 C ATOM 719 CD2 LEU A 43 13.636 5.944 -2.740 1.00 0.00 C ATOM 0 H LEU A 43 14.081 5.422 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 43 16.304 4.480 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 16.282 7.325 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.327 6.581 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 43 13.848 6.954 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.208 8.611 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.713 9.067 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.778 8.370 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.599 6.249 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.135 5.899 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.665 4.961 -2.271 1.00 0.00 H new ATOM 731 N HIS A 44 17.798 6.458 0.178 1.00 0.00 N ATOM 732 CA HIS A 44 18.925 6.658 1.085 1.00 0.00 C ATOM 733 C HIS A 44 20.174 6.013 0.508 1.00 0.00 C ATOM 734 O HIS A 44 20.980 5.420 1.225 1.00 0.00 O ATOM 735 CB HIS A 44 18.617 6.085 2.476 1.00 0.00 C ATOM 736 CG HIS A 44 17.377 6.652 3.103 1.00 0.00 C ATOM 737 ND1 HIS A 44 16.945 6.303 4.366 1.00 0.00 N ATOM 738 CD2 HIS A 44 16.469 7.545 2.634 1.00 0.00 C ATOM 739 CE1 HIS A 44 15.830 6.954 4.645 1.00 0.00 C ATOM 740 NE2 HIS A 44 15.521 7.713 3.611 1.00 0.00 N ATOM 0 H HIS A 44 17.498 7.303 -0.308 1.00 0.00 H new ATOM 0 HA HIS A 44 19.097 7.729 1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 44 18.511 5.003 2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 44 19.465 6.276 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 44 16.489 8.033 1.671 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.267 6.878 5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 44 14.708 8.326 3.548 1.00 0.00 H new ATOM 749 N THR A 45 20.310 6.145 -0.807 1.00 0.00 N ATOM 750 CA THR A 45 21.438 5.597 -1.541 1.00 0.00 C ATOM 751 C THR A 45 21.701 4.139 -1.166 1.00 0.00 C ATOM 752 O THR A 45 20.781 3.404 -0.806 1.00 0.00 O ATOM 753 CB THR A 45 22.719 6.427 -1.314 1.00 0.00 C ATOM 754 OG1 THR A 45 23.078 6.414 0.074 1.00 0.00 O ATOM 755 CG2 THR A 45 22.522 7.862 -1.776 1.00 0.00 C ATOM 0 H THR A 45 19.636 6.638 -1.394 1.00 0.00 H new ATOM 0 HA THR A 45 21.172 5.643 -2.597 1.00 0.00 H new ATOM 0 HB THR A 45 23.522 5.978 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 45 22.560 5.725 0.539 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.438 8.428 -1.606 1.00 0.00 H new ATOM 0 HG22 THR A 45 22.281 7.872 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.706 8.316 -1.215 1.00 0.00 H new ATOM 763 N LYS A 46 22.963 3.727 -1.256 1.00 0.00 N ATOM 764 CA LYS A 46 23.354 2.359 -0.930 1.00 0.00 C ATOM 765 C LYS A 46 23.875 2.262 0.500 1.00 0.00 C ATOM 766 O LYS A 46 24.418 3.226 1.040 1.00 0.00 O ATOM 767 CB LYS A 46 24.416 1.854 -1.914 1.00 0.00 C ATOM 768 CG LYS A 46 23.876 1.562 -3.309 1.00 0.00 C ATOM 769 CD LYS A 46 23.319 2.808 -3.981 1.00 0.00 C ATOM 770 CE LYS A 46 22.731 2.491 -5.347 1.00 0.00 C ATOM 771 NZ LYS A 46 22.161 3.700 -6.002 1.00 0.00 N ATOM 0 H LYS A 46 23.735 4.324 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 46 22.468 1.730 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 46 25.209 2.598 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 46 24.867 0.947 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.672 1.144 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 46 23.094 0.806 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.551 3.251 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 46 24.111 3.549 -4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.505 2.064 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.953 1.735 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.771 3.440 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.405 4.094 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.909 4.412 -6.128 1.00 0.00 H new ATOM 785 N GLY A 47 23.705 1.091 1.107 1.00 0.00 N ATOM 786 CA GLY A 47 24.162 0.887 2.469 1.00 0.00 C ATOM 787 C GLY A 47 24.336 -0.581 2.807 1.00 0.00 C ATOM 788 O GLY A 47 24.964 -1.326 2.054 1.00 0.00 O ATOM 0 H GLY A 47 23.259 0.280 0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.110 1.405 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.447 1.334 3.160 1.00 0.00 H new ATOM 792 N ARG A 48 23.781 -0.996 3.941 1.00 0.00 N ATOM 793 CA ARG A 48 23.880 -2.385 4.378 1.00 0.00 C ATOM 794 C ARG A 48 23.341 -3.334 3.310 1.00 0.00 C ATOM 795 O ARG A 48 22.350 -3.034 2.645 1.00 0.00 O ATOM 796 CB ARG A 48 23.119 -2.587 5.689 1.00 0.00 C ATOM 797 CG ARG A 48 23.662 -1.762 6.843 1.00 0.00 C ATOM 798 CD ARG A 48 22.907 -2.045 8.131 1.00 0.00 C ATOM 799 NE ARG A 48 23.422 -1.266 9.255 1.00 0.00 N ATOM 800 CZ ARG A 48 24.654 -1.396 9.744 1.00 0.00 C ATOM 801 NH1 ARG A 48 25.495 -2.276 9.217 1.00 0.00 N ATOM 802 NH2 ARG A 48 25.044 -0.644 10.765 1.00 0.00 N ATOM 0 H ARG A 48 23.258 -0.391 4.574 1.00 0.00 H new ATOM 0 HA ARG A 48 24.934 -2.612 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 48 22.071 -2.332 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 48 23.154 -3.642 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 48 24.720 -1.983 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 48 23.587 -0.702 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 48 21.850 -1.819 7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 48 22.977 -3.107 8.365 1.00 0.00 H new ATOM 0 HE ARG A 48 22.802 -0.583 9.690 1.00 0.00 H new ATOM 0 HH11 ARG A 48 25.199 -2.858 8.433 1.00 0.00 H new ATOM 0 HH12 ARG A 48 26.437 -2.371 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 48 24.401 0.033 11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 48 25.987 -0.743 11.140 1.00 0.00 H new ATOM 816 N PRO A 49 23.990 -4.501 3.132 1.00 0.00 N ATOM 817 CA PRO A 49 23.571 -5.497 2.140 1.00 0.00 C ATOM 818 C PRO A 49 22.136 -5.962 2.358 1.00 0.00 C ATOM 819 O PRO A 49 21.735 -6.260 3.484 1.00 0.00 O ATOM 820 CB PRO A 49 24.549 -6.663 2.352 1.00 0.00 C ATOM 821 CG PRO A 49 25.147 -6.431 3.698 1.00 0.00 C ATOM 822 CD PRO A 49 25.178 -4.943 3.881 1.00 0.00 C ATOM 0 HA PRO A 49 23.591 -5.090 1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.033 -7.622 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.316 -6.680 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.553 -6.908 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.150 -6.853 3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 49 25.121 -4.663 4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 49 26.094 -4.505 3.484 1.00 0.00 H new ATOM 830 N PHE A 50 21.369 -6.018 1.273 1.00 0.00 N ATOM 831 CA PHE A 50 19.974 -6.442 1.336 1.00 0.00 C ATOM 832 C PHE A 50 19.382 -6.556 -0.067 1.00 0.00 C ATOM 833 O PHE A 50 19.759 -5.812 -0.972 1.00 0.00 O ATOM 834 CB PHE A 50 19.153 -5.455 2.171 1.00 0.00 C ATOM 835 CG PHE A 50 17.710 -5.849 2.332 1.00 0.00 C ATOM 836 CD1 PHE A 50 17.365 -7.127 2.743 1.00 0.00 C ATOM 837 CD2 PHE A 50 16.698 -4.939 2.069 1.00 0.00 C ATOM 838 CE1 PHE A 50 16.039 -7.490 2.888 1.00 0.00 C ATOM 839 CE2 PHE A 50 15.370 -5.296 2.212 1.00 0.00 C ATOM 840 CZ PHE A 50 15.041 -6.573 2.623 1.00 0.00 C ATOM 0 H PHE A 50 21.692 -5.774 0.337 1.00 0.00 H new ATOM 0 HA PHE A 50 19.937 -7.422 1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 50 19.607 -5.363 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 50 19.201 -4.471 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 50 18.141 -7.848 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.950 -3.939 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.784 -8.489 3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.591 -4.578 2.003 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.004 -6.854 2.737 1.00 0.00 H new ATOM 850 N ARG A 51 18.455 -7.495 -0.237 1.00 0.00 N ATOM 851 CA ARG A 51 17.806 -7.715 -1.527 1.00 0.00 C ATOM 852 C ARG A 51 17.108 -6.451 -2.014 1.00 0.00 C ATOM 853 O ARG A 51 16.652 -6.375 -3.154 1.00 0.00 O ATOM 854 CB ARG A 51 16.804 -8.866 -1.423 1.00 0.00 C ATOM 855 CG ARG A 51 16.194 -9.284 -2.747 1.00 0.00 C ATOM 856 CD ARG A 51 17.212 -9.939 -3.670 1.00 0.00 C ATOM 857 NE ARG A 51 18.221 -8.996 -4.152 1.00 0.00 N ATOM 858 CZ ARG A 51 19.223 -9.337 -4.956 1.00 0.00 C ATOM 859 NH1 ARG A 51 19.354 -10.594 -5.361 1.00 0.00 N ATOM 860 NH2 ARG A 51 20.095 -8.423 -5.357 1.00 0.00 N ATOM 0 H ARG A 51 18.135 -8.118 0.505 1.00 0.00 H new ATOM 0 HA ARG A 51 18.575 -7.977 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.303 -9.727 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 51 16.003 -8.575 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.374 -9.978 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.768 -8.410 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.705 -10.754 -3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.694 -10.379 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 51 18.152 -8.023 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 51 18.685 -11.301 -5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 51 20.124 -10.853 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 51 19.998 -7.456 -5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.863 -8.687 -5.974 1.00 0.00 H new ATOM 874 N GLY A 52 17.038 -5.464 -1.137 1.00 0.00 N ATOM 875 CA GLY A 52 16.405 -4.202 -1.470 1.00 0.00 C ATOM 876 C GLY A 52 14.906 -4.320 -1.612 1.00 0.00 C ATOM 877 O GLY A 52 14.397 -5.254 -2.232 1.00 0.00 O ATOM 0 H GLY A 52 17.412 -5.513 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 52 16.636 -3.469 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 52 16.825 -3.824 -2.402 1.00 0.00 H new ATOM 881 N MET A 53 14.202 -3.366 -1.021 1.00 0.00 N ATOM 882 CA MET A 53 12.752 -3.346 -1.057 1.00 0.00 C ATOM 883 C MET A 53 12.242 -2.356 -2.093 1.00 0.00 C ATOM 884 O MET A 53 12.878 -1.336 -2.360 1.00 0.00 O ATOM 885 CB MET A 53 12.216 -2.985 0.322 1.00 0.00 C ATOM 886 CG MET A 53 10.702 -3.062 0.422 1.00 0.00 C ATOM 887 SD MET A 53 10.088 -2.628 2.059 1.00 0.00 S ATOM 888 CE MET A 53 8.328 -2.869 1.830 1.00 0.00 C ATOM 0 H MET A 53 14.619 -2.590 -0.507 1.00 0.00 H new ATOM 0 HA MET A 53 12.398 -4.337 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 53 12.656 -3.655 1.061 1.00 0.00 H new ATOM 0 HB3 MET A 53 12.538 -1.975 0.576 1.00 0.00 H new ATOM 0 HG2 MET A 53 10.259 -2.393 -0.316 1.00 0.00 H new ATOM 0 HG3 MET A 53 10.377 -4.072 0.173 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.826 -1.901 1.821 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.151 -3.378 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.934 -3.475 2.646 1.00 0.00 H new ATOM 898 N SER A 54 11.087 -2.661 -2.672 1.00 0.00 N ATOM 899 CA SER A 54 10.489 -1.795 -3.678 1.00 0.00 C ATOM 900 C SER A 54 9.015 -2.133 -3.874 1.00 0.00 C ATOM 901 O SER A 54 8.337 -2.554 -2.938 1.00 0.00 O ATOM 902 CB SER A 54 11.245 -1.928 -5.001 1.00 0.00 C ATOM 903 OG SER A 54 11.207 -3.262 -5.478 1.00 0.00 O ATOM 0 H SER A 54 10.547 -3.501 -2.462 1.00 0.00 H new ATOM 0 HA SER A 54 10.559 -0.764 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.806 -1.261 -5.743 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.281 -1.617 -4.865 1.00 0.00 H new ATOM 0 HG SER A 54 11.696 -3.320 -6.325 1.00 0.00 H new ATOM 909 N GLU A 55 8.525 -1.946 -5.094 1.00 0.00 N ATOM 910 CA GLU A 55 7.132 -2.229 -5.410 1.00 0.00 C ATOM 911 C GLU A 55 6.852 -3.728 -5.357 1.00 0.00 C ATOM 912 O GLU A 55 5.750 -4.148 -5.009 1.00 0.00 O ATOM 913 CB GLU A 55 6.774 -1.673 -6.791 1.00 0.00 C ATOM 914 CG GLU A 55 6.958 -0.166 -6.911 1.00 0.00 C ATOM 915 CD GLU A 55 8.413 0.258 -6.857 1.00 0.00 C ATOM 916 OE1 GLU A 55 9.192 -0.178 -7.732 1.00 0.00 O ATOM 917 OE2 GLU A 55 8.775 1.024 -5.940 1.00 0.00 O ATOM 0 H GLU A 55 9.073 -1.599 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 55 6.510 -1.739 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.391 -2.166 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.737 -1.922 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.520 0.175 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.411 0.327 -6.107 1.00 0.00 H new ATOM 924 N GLU A 56 7.853 -4.529 -5.712 1.00 0.00 N ATOM 925 CA GLU A 56 7.711 -5.983 -5.711 1.00 0.00 C ATOM 926 C GLU A 56 7.413 -6.518 -4.310 1.00 0.00 C ATOM 927 O GLU A 56 6.500 -7.324 -4.130 1.00 0.00 O ATOM 928 CB GLU A 56 8.976 -6.642 -6.269 1.00 0.00 C ATOM 929 CG GLU A 56 10.242 -6.274 -5.512 1.00 0.00 C ATOM 930 CD GLU A 56 11.479 -6.934 -6.087 1.00 0.00 C ATOM 931 OE1 GLU A 56 11.783 -6.691 -7.275 1.00 0.00 O ATOM 932 OE2 GLU A 56 12.146 -7.690 -5.352 1.00 0.00 O ATOM 0 H GLU A 56 8.772 -4.196 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 56 6.865 -6.233 -6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.851 -7.725 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.093 -6.357 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.370 -5.192 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.133 -6.564 -4.467 1.00 0.00 H new ATOM 939 N GLU A 57 8.185 -6.073 -3.322 1.00 0.00 N ATOM 940 CA GLU A 57 7.990 -6.521 -1.946 1.00 0.00 C ATOM 941 C GLU A 57 6.661 -6.025 -1.388 1.00 0.00 C ATOM 942 O GLU A 57 5.900 -6.796 -0.804 1.00 0.00 O ATOM 943 CB GLU A 57 9.146 -6.058 -1.057 1.00 0.00 C ATOM 944 CG GLU A 57 8.953 -6.392 0.415 1.00 0.00 C ATOM 945 CD GLU A 57 10.235 -6.266 1.218 1.00 0.00 C ATOM 946 OE1 GLU A 57 11.295 -6.011 0.608 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.179 -6.432 2.453 1.00 0.00 O ATOM 0 H GLU A 57 8.947 -5.407 -3.447 1.00 0.00 H new ATOM 0 HA GLU A 57 7.970 -7.611 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.070 -6.518 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.266 -4.980 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.198 -5.729 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.571 -7.409 0.505 1.00 0.00 H new ATOM 954 N VAL A 58 6.383 -4.738 -1.574 1.00 0.00 N ATOM 955 CA VAL A 58 5.138 -4.153 -1.091 1.00 0.00 C ATOM 956 C VAL A 58 3.938 -4.880 -1.690 1.00 0.00 C ATOM 957 O VAL A 58 2.968 -5.179 -0.996 1.00 0.00 O ATOM 958 CB VAL A 58 5.047 -2.654 -1.439 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.738 -2.064 -0.936 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.235 -1.900 -0.862 1.00 0.00 C ATOM 0 H VAL A 58 7.001 -4.083 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 58 5.128 -4.261 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 58 5.070 -2.551 -2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.694 -1.005 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.901 -2.585 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.680 -2.178 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.154 -0.843 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.245 -2.011 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.159 -2.304 -1.277 1.00 0.00 H new ATOM 970 N PHE A 59 4.023 -5.164 -2.985 1.00 0.00 N ATOM 971 CA PHE A 59 2.959 -5.861 -3.696 1.00 0.00 C ATOM 972 C PHE A 59 2.756 -7.264 -3.134 1.00 0.00 C ATOM 973 O PHE A 59 1.627 -7.738 -3.011 1.00 0.00 O ATOM 974 CB PHE A 59 3.286 -5.936 -5.192 1.00 0.00 C ATOM 975 CG PHE A 59 2.275 -6.696 -6.006 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.921 -6.415 -5.902 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.683 -7.690 -6.882 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.005 -7.112 -6.654 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.760 -8.390 -7.635 1.00 0.00 C ATOM 980 CZ PHE A 59 0.414 -8.102 -7.521 1.00 0.00 C ATOM 0 H PHE A 59 4.824 -4.920 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 59 2.034 -5.301 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.366 -4.923 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.262 -6.405 -5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.587 -5.642 -5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.734 -7.920 -6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.057 -6.883 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.091 -9.163 -8.313 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.309 -8.649 -8.108 1.00 0.00 H new ATOM 990 N THR A 60 3.859 -7.925 -2.801 1.00 0.00 N ATOM 991 CA THR A 60 3.806 -9.277 -2.261 1.00 0.00 C ATOM 992 C THR A 60 3.139 -9.310 -0.887 1.00 0.00 C ATOM 993 O THR A 60 2.242 -10.115 -0.648 1.00 0.00 O ATOM 994 CB THR A 60 5.215 -9.891 -2.155 1.00 0.00 C ATOM 995 OG1 THR A 60 5.837 -9.914 -3.446 1.00 0.00 O ATOM 996 CG2 THR A 60 5.154 -11.304 -1.595 1.00 0.00 C ATOM 0 H THR A 60 4.801 -7.546 -2.896 1.00 0.00 H new ATOM 0 HA THR A 60 3.208 -9.867 -2.955 1.00 0.00 H new ATOM 0 HB THR A 60 5.803 -9.274 -1.476 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.193 -9.025 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.162 -11.714 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.707 -11.282 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.549 -11.930 -2.251 1.00 0.00 H new ATOM 1004 N GLU A 61 3.584 -8.434 0.009 1.00 0.00 N ATOM 1005 CA GLU A 61 3.035 -8.365 1.360 1.00 0.00 C ATOM 1006 C GLU A 61 1.530 -8.118 1.327 1.00 0.00 C ATOM 1007 O GLU A 61 0.770 -8.776 2.037 1.00 0.00 O ATOM 1008 CB GLU A 61 3.733 -7.261 2.157 1.00 0.00 C ATOM 1009 CG GLU A 61 5.233 -7.468 2.298 1.00 0.00 C ATOM 1010 CD GLU A 61 5.579 -8.737 3.053 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.188 -8.850 4.233 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.241 -9.617 2.463 1.00 0.00 O ATOM 0 H GLU A 61 4.326 -7.759 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 61 3.212 -9.323 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.551 -6.303 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.287 -7.204 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.686 -7.505 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.667 -6.612 2.815 1.00 0.00 H new ATOM 1019 N VAL A 62 1.104 -7.177 0.489 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.313 -6.862 0.360 1.00 0.00 C ATOM 1021 C VAL A 62 -1.066 -8.062 -0.200 1.00 0.00 C ATOM 1022 O VAL A 62 -2.162 -8.386 0.252 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.544 -5.645 -0.557 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.031 -5.349 -0.694 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.198 -4.430 -0.022 1.00 0.00 C ATOM 0 H VAL A 62 1.718 -6.622 -0.108 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.686 -6.618 1.355 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.152 -5.880 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.172 -4.486 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.536 -6.214 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.451 -5.134 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.025 -3.579 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.164 -4.194 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.266 -4.645 0.020 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.456 -8.728 -1.177 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.056 -9.907 -1.788 1.00 0.00 C ATOM 1037 C ALA A 63 -1.236 -11.003 -0.745 1.00 0.00 C ATOM 1038 O ALA A 63 -2.266 -11.677 -0.701 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.193 -10.404 -2.938 1.00 0.00 C ATOM 0 H ALA A 63 0.453 -8.470 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.035 -9.638 -2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.654 -11.285 -3.384 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.103 -9.621 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.798 -10.663 -2.564 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.222 -11.159 0.101 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.245 -12.154 1.166 1.00 0.00 C ATOM 1047 C ASN A 64 -1.384 -11.869 2.140 1.00 0.00 C ATOM 1048 O ASN A 64 -2.082 -12.783 2.581 1.00 0.00 O ATOM 1049 CB ASN A 64 1.099 -12.163 1.904 1.00 0.00 C ATOM 1050 CG ASN A 64 2.220 -12.754 1.068 1.00 0.00 C ATOM 1051 OD1 ASN A 64 2.115 -13.878 0.577 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.309 -12.004 0.911 1.00 0.00 N ATOM 0 H ASN A 64 0.633 -10.603 0.068 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.411 -13.136 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.361 -11.143 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.999 -12.734 2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.097 -12.356 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.356 -11.077 1.335 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.567 -10.593 2.461 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.620 -10.165 3.371 1.00 0.00 C ATOM 1061 C LEU A 65 -3.997 -10.376 2.765 1.00 0.00 C ATOM 1062 O LEU A 65 -4.803 -11.162 3.267 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.446 -8.686 3.683 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.780 -8.366 5.013 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.514 -6.875 5.101 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.656 -8.827 6.168 1.00 0.00 C ATOM 0 H LEU A 65 -0.993 -9.831 2.100 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.544 -10.763 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.859 -8.232 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.427 -8.212 3.666 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.831 -8.898 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.037 -6.646 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.857 -6.574 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.456 -6.332 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.166 -8.591 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.618 -8.317 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.812 -9.904 6.099 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.259 -9.642 1.692 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.538 -9.702 0.995 1.00 0.00 C ATOM 1080 C PHE A 66 -5.683 -10.995 0.194 1.00 0.00 C ATOM 1081 O PHE A 66 -6.224 -10.987 -0.911 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.670 -8.503 0.051 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.669 -7.152 0.726 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.470 -7.022 2.096 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.881 -6.006 -0.025 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.480 -5.777 2.696 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.892 -4.760 0.572 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.691 -4.645 1.934 1.00 0.00 C ATOM 0 H PHE A 66 -3.592 -8.989 1.280 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.327 -9.677 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.850 -8.534 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.595 -8.607 -0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.306 -7.904 2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.040 -6.088 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.323 -5.690 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.058 -3.876 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.699 -3.672 2.402 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.210 -12.106 0.752 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.308 -13.391 0.074 1.00 0.00 C ATOM 1100 C ARG A 67 -6.768 -13.720 -0.213 1.00 0.00 C ATOM 1101 O ARG A 67 -7.627 -13.579 0.658 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.665 -14.493 0.923 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.714 -15.870 0.279 1.00 0.00 C ATOM 1104 CD ARG A 67 -3.949 -15.902 -1.035 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.989 -17.222 -1.663 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.454 -18.316 -1.124 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.817 -18.250 0.038 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.550 -19.479 -1.754 1.00 0.00 N ATOM 0 H ARG A 67 -4.758 -12.141 1.666 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.771 -13.331 -0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.625 -14.229 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.169 -14.535 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.294 -16.607 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.752 -16.153 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.370 -15.164 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.912 -15.617 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.454 -17.310 -2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.735 -17.357 0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.410 -19.092 0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.033 -19.535 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.141 -20.317 -1.342 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.047 -14.137 -1.444 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.411 -14.454 -1.827 1.00 0.00 C ATOM 1124 C GLY A 68 -9.187 -13.212 -2.228 1.00 0.00 C ATOM 1125 O GLY A 68 -9.912 -13.220 -3.222 1.00 0.00 O ATOM 0 H GLY A 68 -6.354 -14.261 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.401 -15.160 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.917 -14.946 -0.996 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.027 -12.142 -1.451 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.703 -10.880 -1.722 1.00 0.00 C ATOM 1131 C GLN A 69 -8.972 -10.103 -2.816 1.00 0.00 C ATOM 1132 O GLN A 69 -8.640 -8.929 -2.642 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.785 -10.032 -0.450 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.713 -10.590 0.620 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.220 -11.888 1.235 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.204 -12.934 0.588 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.814 -11.823 2.498 1.00 0.00 N ATOM 0 H GLN A 69 -8.430 -12.127 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.714 -11.103 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.784 -9.932 -0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.120 -9.030 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.833 -9.847 1.408 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.698 -10.755 0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.844 -10.935 2.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.472 -12.661 2.968 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.709 -10.771 -3.934 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.000 -10.156 -5.053 1.00 0.00 C ATOM 1148 C GLU A 70 -8.762 -8.963 -5.629 1.00 0.00 C ATOM 1149 O GLU A 70 -8.263 -8.281 -6.524 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.757 -11.193 -6.151 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.948 -12.392 -5.685 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.719 -13.409 -6.788 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.202 -13.181 -7.918 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -6.056 -14.433 -6.523 1.00 0.00 O ATOM 0 H GLU A 70 -8.977 -11.743 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.047 -9.788 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.718 -11.539 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.238 -10.716 -6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.985 -12.050 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.465 -12.873 -4.855 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.965 -8.707 -5.118 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.767 -7.586 -5.596 1.00 0.00 C ATOM 1163 C ASP A 71 -10.037 -6.274 -5.339 1.00 0.00 C ATOM 1164 O ASP A 71 -9.870 -5.454 -6.243 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.131 -7.576 -4.911 1.00 0.00 C ATOM 1166 CG ASP A 71 -13.028 -6.455 -5.403 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -12.605 -5.704 -6.308 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -14.158 -6.330 -4.885 1.00 0.00 O ATOM 0 H ASP A 71 -10.402 -9.257 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.921 -7.699 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.625 -8.532 -5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.991 -7.477 -3.835 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.589 -6.096 -4.103 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.855 -4.900 -3.715 1.00 0.00 C ATOM 1175 C LEU A 72 -7.473 -4.908 -4.353 1.00 0.00 C ATOM 1176 O LEU A 72 -6.949 -3.867 -4.752 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.725 -4.833 -2.193 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.053 -4.767 -1.440 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.823 -4.904 0.058 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.773 -3.462 -1.750 1.00 0.00 C ATOM 0 H LEU A 72 -9.723 -6.769 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.402 -4.023 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.172 -5.708 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.131 -3.958 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.679 -5.596 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.779 -4.855 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.345 -5.861 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.180 -4.094 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.717 -3.429 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.150 -2.621 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.968 -3.400 -2.821 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.898 -6.102 -4.447 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.593 -6.292 -5.029 1.00 0.00 C ATOM 1194 C LEU A 73 -5.543 -5.712 -6.434 1.00 0.00 C ATOM 1195 O LEU A 73 -4.559 -5.087 -6.830 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.303 -7.785 -5.073 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.003 -8.231 -4.402 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.857 -7.293 -4.739 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.198 -8.317 -2.902 1.00 0.00 C ATOM 0 H LEU A 73 -7.334 -6.963 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.844 -5.778 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.133 -8.311 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.278 -8.100 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.743 -9.218 -4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.948 -7.638 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.703 -7.280 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.097 -6.287 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.268 -8.635 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.484 -7.339 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.983 -9.039 -2.678 1.00 0.00 H new ATOM 1211 N SER A 74 -6.621 -5.926 -7.178 1.00 0.00 N ATOM 1212 CA SER A 74 -6.727 -5.432 -8.542 1.00 0.00 C ATOM 1213 C SER A 74 -6.522 -3.923 -8.582 1.00 0.00 C ATOM 1214 O SER A 74 -5.864 -3.399 -9.480 1.00 0.00 O ATOM 1215 CB SER A 74 -8.095 -5.791 -9.118 1.00 0.00 C ATOM 1216 OG SER A 74 -8.202 -5.390 -10.474 1.00 0.00 O ATOM 0 H SER A 74 -7.439 -6.443 -6.855 1.00 0.00 H new ATOM 0 HA SER A 74 -5.950 -5.901 -9.145 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.254 -6.867 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.877 -5.310 -8.531 1.00 0.00 H new ATOM 0 HG SER A 74 -9.087 -5.633 -10.818 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.087 -3.229 -7.596 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.958 -1.781 -7.515 1.00 0.00 C ATOM 1224 C GLU A 75 -5.542 -1.378 -7.126 1.00 0.00 C ATOM 1225 O GLU A 75 -5.001 -0.402 -7.642 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.967 -1.210 -6.527 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.398 -1.311 -7.021 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.642 -0.529 -8.301 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -8.709 0.157 -8.771 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.772 -0.596 -8.829 1.00 0.00 O ATOM 0 H GLU A 75 -7.637 -3.647 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.166 -1.368 -8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.877 -1.738 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.727 -0.164 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.645 -2.359 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.071 -0.946 -6.245 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.942 -2.140 -6.216 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.582 -1.864 -5.767 1.00 0.00 C ATOM 1239 C PHE A 76 -2.625 -1.865 -6.953 1.00 0.00 C ATOM 1240 O PHE A 76 -1.757 -1.000 -7.068 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.139 -2.904 -4.735 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.794 -2.622 -4.122 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.436 -1.331 -3.760 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.890 -3.650 -3.902 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.202 -1.072 -3.194 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.345 -3.396 -3.335 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.688 -2.105 -2.980 1.00 0.00 C ATOM 0 H PHE A 76 -5.376 -2.952 -5.776 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.565 -0.879 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.885 -2.955 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.112 -3.884 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.130 -0.519 -3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.154 -4.661 -4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.066 -0.062 -2.919 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.041 -4.205 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.652 -1.905 -2.535 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.800 -2.845 -7.833 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.959 -2.953 -9.010 1.00 0.00 C ATOM 1259 C GLY A 77 -2.091 -1.751 -9.926 1.00 0.00 C ATOM 1260 O GLY A 77 -1.136 -1.376 -10.607 1.00 0.00 O ATOM 0 H GLY A 77 -3.513 -3.570 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.919 -3.059 -8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.222 -3.856 -9.560 1.00 0.00 H new ATOM 1264 N GLN A 78 -3.282 -1.153 -9.945 1.00 0.00 N ATOM 1265 CA GLN A 78 -3.549 0.011 -10.785 1.00 0.00 C ATOM 1266 C GLN A 78 -2.481 1.082 -10.591 1.00 0.00 C ATOM 1267 O GLN A 78 -1.931 1.606 -11.559 1.00 0.00 O ATOM 1268 CB GLN A 78 -4.924 0.596 -10.457 1.00 0.00 C ATOM 1269 CG GLN A 78 -6.068 -0.393 -10.609 1.00 0.00 C ATOM 1270 CD GLN A 78 -6.308 -0.802 -12.047 1.00 0.00 C ATOM 1271 OE1 GLN A 78 -5.417 -1.323 -12.718 1.00 0.00 O ATOM 1272 NE2 GLN A 78 -7.523 -0.571 -12.528 1.00 0.00 N ATOM 0 H GLN A 78 -4.079 -1.458 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 78 -3.531 -0.315 -11.825 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.914 0.970 -9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.108 1.452 -11.107 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.854 -1.282 -10.015 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.979 0.049 -10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.232 -0.137 -11.937 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.748 -0.828 -13.489 1.00 0.00 H new ATOM 1281 N PHE A 79 -2.187 1.396 -9.333 1.00 0.00 N ATOM 1282 CA PHE A 79 -1.179 2.400 -9.014 1.00 0.00 C ATOM 1283 C PHE A 79 0.214 1.888 -9.359 1.00 0.00 C ATOM 1284 O PHE A 79 1.032 2.613 -9.926 1.00 0.00 O ATOM 1285 CB PHE A 79 -1.245 2.785 -7.532 1.00 0.00 C ATOM 1286 CG PHE A 79 -2.492 3.534 -7.146 1.00 0.00 C ATOM 1287 CD1 PHE A 79 -3.748 2.982 -7.346 1.00 0.00 C ATOM 1288 CD2 PHE A 79 -2.404 4.793 -6.573 1.00 0.00 C ATOM 1289 CE1 PHE A 79 -4.890 3.672 -6.984 1.00 0.00 C ATOM 1290 CE2 PHE A 79 -3.542 5.488 -6.210 1.00 0.00 C ATOM 1291 CZ PHE A 79 -4.787 4.926 -6.416 1.00 0.00 C ATOM 0 H PHE A 79 -2.632 0.970 -8.520 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.385 3.287 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.177 1.879 -6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.377 3.397 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.835 2.001 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -1.433 5.237 -6.408 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.862 3.230 -7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.458 6.469 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.678 5.467 -6.133 1.00 0.00 H new ATOM 1301 N LEU A 80 0.473 0.631 -9.014 1.00 0.00 N ATOM 1302 CA LEU A 80 1.765 0.012 -9.287 1.00 0.00 C ATOM 1303 C LEU A 80 2.042 -0.022 -10.789 1.00 0.00 C ATOM 1304 O LEU A 80 1.187 -0.435 -11.574 1.00 0.00 O ATOM 1305 CB LEU A 80 1.802 -1.410 -8.721 1.00 0.00 C ATOM 1306 CG LEU A 80 1.498 -1.527 -7.225 1.00 0.00 C ATOM 1307 CD1 LEU A 80 1.536 -2.983 -6.788 1.00 0.00 C ATOM 1308 CD2 LEU A 80 2.483 -0.701 -6.411 1.00 0.00 C ATOM 0 H LEU A 80 -0.196 0.020 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 80 2.537 0.610 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.085 -2.020 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.789 -1.832 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 80 0.496 -1.138 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.318 -3.049 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.791 -3.550 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.526 -3.395 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.250 -0.798 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.496 -1.059 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.410 0.346 -6.705 1.00 0.00 H new ATOM 1320 N PRO A 81 3.244 0.411 -11.214 1.00 0.00 N ATOM 1321 CA PRO A 81 3.620 0.423 -12.630 1.00 0.00 C ATOM 1322 C PRO A 81 3.794 -0.985 -13.189 1.00 0.00 C ATOM 1323 O PRO A 81 3.475 -1.967 -12.518 1.00 0.00 O ATOM 1324 CB PRO A 81 4.959 1.169 -12.655 1.00 0.00 C ATOM 1325 CG PRO A 81 5.118 1.776 -11.299 1.00 0.00 C ATOM 1326 CD PRO A 81 4.324 0.917 -10.359 1.00 0.00 C ATOM 0 HA PRO A 81 2.851 0.891 -13.244 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.781 0.488 -12.876 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.964 1.936 -13.429 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.168 1.806 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.755 2.804 -11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.925 0.107 -9.945 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.938 1.490 -9.516 1.00 0.00 H new ATOM 1334 N GLU A 82 4.312 -1.065 -14.417 1.00 0.00 N ATOM 1335 CA GLU A 82 4.550 -2.343 -15.091 1.00 0.00 C ATOM 1336 C GLU A 82 3.245 -3.004 -15.541 1.00 0.00 C ATOM 1337 O GLU A 82 3.182 -3.579 -16.628 1.00 0.00 O ATOM 1338 CB GLU A 82 5.334 -3.296 -14.181 1.00 0.00 C ATOM 1339 CG GLU A 82 5.636 -4.642 -14.821 1.00 0.00 C ATOM 1340 CD GLU A 82 6.429 -5.556 -13.908 1.00 0.00 C ATOM 1341 OE1 GLU A 82 7.548 -5.172 -13.510 1.00 0.00 O ATOM 1342 OE2 GLU A 82 5.929 -6.655 -13.589 1.00 0.00 O ATOM 0 H GLU A 82 4.577 -0.250 -14.970 1.00 0.00 H new ATOM 0 HA GLU A 82 5.141 -2.131 -15.982 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.272 -2.821 -13.895 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.766 -3.458 -13.265 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.700 -5.129 -15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.193 -4.484 -15.744 1.00 0.00 H new ATOM 1349 N ALA A 83 2.211 -2.927 -14.705 1.00 0.00 N ATOM 1350 CA ALA A 83 0.920 -3.524 -15.027 1.00 0.00 C ATOM 1351 C ALA A 83 0.258 -2.817 -16.210 1.00 0.00 C ATOM 1352 O ALA A 83 0.940 -2.332 -17.113 1.00 0.00 O ATOM 1353 CB ALA A 83 0.012 -3.492 -13.806 1.00 0.00 C ATOM 0 H ALA A 83 2.244 -2.457 -13.800 1.00 0.00 H new ATOM 0 HA ALA A 83 1.088 -4.561 -15.317 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.950 -3.940 -14.056 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.474 -4.054 -12.994 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.139 -2.459 -13.492 1.00 0.00 H new ATOM 1359 N LYS A 84 -1.075 -2.760 -16.193 1.00 0.00 N ATOM 1360 CA LYS A 84 -1.840 -2.115 -17.261 1.00 0.00 C ATOM 1361 C LYS A 84 -1.644 -2.837 -18.593 1.00 0.00 C ATOM 1362 O LYS A 84 -0.524 -3.182 -18.968 1.00 0.00 O ATOM 1363 CB LYS A 84 -1.440 -0.642 -17.395 1.00 0.00 C ATOM 1364 CG LYS A 84 -1.698 0.179 -16.139 1.00 0.00 C ATOM 1365 CD LYS A 84 -3.176 0.204 -15.781 1.00 0.00 C ATOM 1366 CE LYS A 84 -3.433 1.022 -14.525 1.00 0.00 C ATOM 1367 NZ LYS A 84 -3.019 2.442 -14.693 1.00 0.00 N ATOM 0 H LYS A 84 -1.649 -3.155 -15.448 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.896 -2.171 -16.995 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.381 -0.584 -17.645 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.989 -0.200 -18.227 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.129 -0.237 -15.308 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.342 1.198 -16.290 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.745 0.622 -16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.532 -0.815 -15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.493 0.980 -14.275 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.891 0.582 -13.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.419 3.014 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.981 2.506 -14.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.367 2.800 -15.605 1.00 0.00 H new ATOM 1381 N ARG A 85 -2.747 -3.060 -19.304 1.00 0.00 N ATOM 1382 CA ARG A 85 -2.707 -3.740 -20.596 1.00 0.00 C ATOM 1383 C ARG A 85 -3.783 -3.194 -21.529 1.00 0.00 C ATOM 1384 O ARG A 85 -4.709 -2.518 -21.030 1.00 0.00 O ATOM 1385 CB ARG A 85 -2.904 -5.249 -20.416 1.00 0.00 C ATOM 1386 CG ARG A 85 -1.800 -5.928 -19.618 1.00 0.00 C ATOM 1387 CD ARG A 85 -0.462 -5.858 -20.338 1.00 0.00 C ATOM 1388 NE ARG A 85 0.603 -6.504 -19.577 1.00 0.00 N ATOM 1389 CZ ARG A 85 1.869 -6.565 -19.985 1.00 0.00 C ATOM 1390 NH1 ARG A 85 2.225 -6.018 -21.139 1.00 0.00 N ATOM 1391 NH2 ARG A 85 2.779 -7.174 -19.237 1.00 0.00 N ATOM 1392 OXT ARG A 85 -3.691 -3.444 -22.749 1.00 0.00 O ATOM 0 H ARG A 85 -3.681 -2.779 -19.006 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.728 -3.557 -21.040 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.858 -5.423 -19.918 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.968 -5.716 -21.399 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.713 -5.453 -18.641 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.065 -6.971 -19.444 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.550 -6.335 -21.314 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.200 -4.815 -20.515 1.00 0.00 H new ATOM 0 HE ARG A 85 0.364 -6.933 -18.683 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.528 -5.549 -21.717 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.196 -6.067 -21.448 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.509 -7.596 -18.348 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.749 -7.220 -19.550 1.00 0.00 H new TER 1406 ARG A 85 ATOM 1407 N ASN B 1 4.107 6.781 -6.487 1.00 0.00 N ATOM 1408 CA ASN B 1 2.747 6.183 -6.454 1.00 0.00 C ATOM 1409 C ASN B 1 2.412 5.642 -5.068 1.00 0.00 C ATOM 1410 O ASN B 1 1.333 5.902 -4.535 1.00 0.00 O ATOM 1411 CB ASN B 1 2.683 5.062 -7.495 1.00 0.00 C ATOM 1412 CG ASN B 1 3.743 4.000 -7.272 1.00 0.00 C ATOM 1413 OD1 ASN B 1 4.940 4.286 -7.298 1.00 0.00 O ATOM 1414 ND2 ASN B 1 3.306 2.766 -7.054 1.00 0.00 N ATOM 0 H1 ASN B 1 4.091 7.648 -7.061 1.00 0.00 H new ATOM 0 H2 ASN B 1 4.408 7.012 -5.519 1.00 0.00 H new ATOM 0 H3 ASN B 1 4.775 6.102 -6.904 1.00 0.00 H new ATOM 0 HA ASN B 1 2.011 6.953 -6.687 1.00 0.00 H new ATOM 0 HB2 ASN B 1 1.697 4.598 -7.465 1.00 0.00 H new ATOM 0 HB3 ASN B 1 2.804 5.488 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN B 1 3.972 2.009 -6.899 1.00 0.00 H new ATOM 0 HD22 ASN B 1 2.304 2.575 -7.041 1.00 0.00 H new ATOM 1423 N ILE B 2 3.345 4.896 -4.490 1.00 0.00 N ATOM 1424 CA ILE B 2 3.154 4.322 -3.163 1.00 0.00 C ATOM 1425 C ILE B 2 3.000 5.414 -2.111 1.00 0.00 C ATOM 1426 O ILE B 2 2.188 5.294 -1.195 1.00 0.00 O ATOM 1427 CB ILE B 2 4.325 3.396 -2.768 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.392 2.189 -3.708 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.188 2.943 -1.321 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.121 1.365 -3.734 1.00 0.00 C ATOM 0 H ILE B 2 4.243 4.674 -4.920 1.00 0.00 H new ATOM 0 HA ILE B 2 2.240 3.730 -3.205 1.00 0.00 H new ATOM 0 HB ILE B 2 5.254 3.958 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.609 2.538 -4.718 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.222 1.550 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.023 2.292 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.191 3.814 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.252 2.399 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.244 0.528 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.913 0.985 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.290 1.988 -4.066 1.00 0.00 H new ATOM 1442 N GLN B 3 3.782 6.480 -2.251 1.00 0.00 N ATOM 1443 CA GLN B 3 3.732 7.594 -1.313 1.00 0.00 C ATOM 1444 C GLN B 3 2.312 8.139 -1.206 1.00 0.00 C ATOM 1445 O GLN B 3 1.885 8.584 -0.143 1.00 0.00 O ATOM 1446 CB GLN B 3 4.701 8.700 -1.748 1.00 0.00 C ATOM 1447 CG GLN B 3 4.412 9.272 -3.130 1.00 0.00 C ATOM 1448 CD GLN B 3 3.313 10.323 -3.131 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.849 10.744 -4.191 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.904 10.770 -1.947 1.00 0.00 N ATOM 0 H GLN B 3 4.458 6.595 -3.006 1.00 0.00 H new ATOM 0 HA GLN B 3 4.036 7.234 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.665 9.508 -1.017 1.00 0.00 H new ATOM 0 HB3 GLN B 3 5.717 8.304 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.325 9.712 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.128 8.460 -3.799 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.314 10.395 -1.091 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.181 11.487 -1.895 1.00 0.00 H new ATOM 1459 N MET B 4 1.590 8.103 -2.321 1.00 0.00 N ATOM 1460 CA MET B 4 0.219 8.597 -2.366 1.00 0.00 C ATOM 1461 C MET B 4 -0.693 7.784 -1.449 1.00 0.00 C ATOM 1462 O MET B 4 -1.436 8.347 -0.645 1.00 0.00 O ATOM 1463 CB MET B 4 -0.309 8.544 -3.802 1.00 0.00 C ATOM 1464 CG MET B 4 -1.704 9.124 -3.965 1.00 0.00 C ATOM 1465 SD MET B 4 -2.336 8.949 -5.645 1.00 0.00 S ATOM 1466 CE MET B 4 -1.078 9.819 -6.575 1.00 0.00 C ATOM 0 H MET B 4 1.933 7.735 -3.208 1.00 0.00 H new ATOM 0 HA MET B 4 0.221 9.629 -2.016 1.00 0.00 H new ATOM 0 HB2 MET B 4 0.378 9.086 -4.452 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.315 7.507 -4.139 1.00 0.00 H new ATOM 0 HG2 MET B 4 -2.383 8.628 -3.272 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.688 10.180 -3.695 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.365 9.859 -7.626 1.00 0.00 H new ATOM 0 HE2 MET B 4 -0.975 10.833 -6.188 1.00 0.00 H new ATOM 0 HE3 MET B 4 -0.127 9.296 -6.478 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.636 6.459 -1.574 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.464 5.578 -0.752 1.00 0.00 C ATOM 1478 C LEU B 5 -1.024 5.621 0.707 1.00 0.00 C ATOM 1479 O LEU B 5 -1.850 5.746 1.612 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.406 4.139 -1.275 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.907 3.948 -2.710 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.901 2.475 -3.085 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.303 4.531 -2.872 1.00 0.00 C ATOM 0 H LEU B 5 -0.028 5.974 -2.234 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.493 5.933 -0.814 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.375 3.789 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.996 3.504 -0.613 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.232 4.479 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.260 2.358 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.886 2.085 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.553 1.924 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.641 4.385 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.988 4.029 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.281 5.597 -2.645 1.00 0.00 H new ATOM 1495 N LEU B 6 0.282 5.519 0.926 1.00 0.00 N ATOM 1496 CA LEU B 6 0.843 5.552 2.271 1.00 0.00 C ATOM 1497 C LEU B 6 0.437 6.834 2.989 1.00 0.00 C ATOM 1498 O LEU B 6 0.042 6.809 4.154 1.00 0.00 O ATOM 1499 CB LEU B 6 2.368 5.444 2.200 1.00 0.00 C ATOM 1500 CG LEU B 6 3.103 5.561 3.536 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.688 4.450 4.486 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.604 5.534 3.310 1.00 0.00 C ATOM 0 H LEU B 6 0.975 5.412 0.185 1.00 0.00 H new ATOM 0 HA LEU B 6 0.452 4.705 2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.626 4.487 1.747 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.739 6.222 1.533 1.00 0.00 H new ATOM 0 HG LEU B 6 2.832 6.512 3.994 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.226 4.557 5.428 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.616 4.511 4.671 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.925 3.483 4.041 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.118 5.618 4.268 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.883 4.596 2.830 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.891 6.369 2.670 1.00 0.00 H new ATOM 1514 N GLU B 7 0.531 7.952 2.277 1.00 0.00 N ATOM 1515 CA GLU B 7 0.167 9.249 2.831 1.00 0.00 C ATOM 1516 C GLU B 7 -1.338 9.329 3.067 1.00 0.00 C ATOM 1517 O GLU B 7 -1.794 9.878 4.070 1.00 0.00 O ATOM 1518 CB GLU B 7 0.610 10.371 1.887 1.00 0.00 C ATOM 1519 CG GLU B 7 0.276 11.765 2.396 1.00 0.00 C ATOM 1520 CD GLU B 7 1.006 12.116 3.681 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.817 11.290 4.151 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.771 13.222 4.212 1.00 0.00 O ATOM 0 H GLU B 7 0.858 7.985 1.311 1.00 0.00 H new ATOM 0 HA GLU B 7 0.675 9.369 3.788 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.686 10.299 1.731 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.137 10.225 0.916 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.529 12.497 1.629 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.799 11.837 2.563 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.100 8.774 2.130 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.555 8.771 2.219 1.00 0.00 C ATOM 1531 C ALA B 8 -4.026 8.097 3.502 1.00 0.00 C ATOM 1532 O ALA B 8 -4.968 8.555 4.145 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.153 8.074 1.007 1.00 0.00 C ATOM 0 H ALA B 8 -1.731 8.318 1.296 1.00 0.00 H new ATOM 0 HA ALA B 8 -3.896 9.806 2.238 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.240 8.078 1.085 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -3.852 8.599 0.100 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.796 7.045 0.966 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.365 7.003 3.864 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.714 6.259 5.069 1.00 0.00 C ATOM 1541 C ALA B 9 -3.539 7.116 6.319 1.00 0.00 C ATOM 1542 O ALA B 9 -4.361 7.068 7.233 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.870 5.000 5.171 1.00 0.00 C ATOM 0 H ALA B 9 -2.583 6.611 3.339 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.765 5.978 4.999 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.140 4.453 6.075 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.049 4.371 4.299 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.815 5.271 5.213 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.464 7.900 6.356 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.188 8.766 7.498 1.00 0.00 C ATOM 1551 C ASP B 10 -3.279 9.822 7.640 1.00 0.00 C ATOM 1552 O ASP B 10 -3.766 10.080 8.739 1.00 0.00 O ATOM 1553 CB ASP B 10 -0.820 9.436 7.340 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.432 10.271 8.547 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.208 10.302 9.527 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.651 10.893 8.515 1.00 0.00 O ATOM 0 H ASP B 10 -1.771 7.953 5.609 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.175 8.155 8.400 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.062 8.670 7.175 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.831 10.070 6.453 1.00 0.00 H new ATOM 1561 N TYR B 11 -3.664 10.417 6.518 1.00 0.00 N ATOM 1562 CA TYR B 11 -4.710 11.434 6.505 1.00 0.00 C ATOM 1563 C TYR B 11 -6.044 10.842 6.937 1.00 0.00 C ATOM 1564 O TYR B 11 -6.666 11.293 7.899 1.00 0.00 O ATOM 1565 CB TYR B 11 -4.857 12.008 5.096 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.087 12.867 4.922 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.105 14.184 5.359 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.231 12.360 4.314 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.227 14.973 5.198 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.357 13.143 4.148 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.350 14.449 4.592 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.469 15.232 4.430 1.00 0.00 O ATOM 0 H TYR B 11 -3.266 10.212 5.601 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.426 12.222 7.203 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -3.973 12.600 4.859 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -4.892 11.187 4.379 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.227 14.599 5.833 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.239 11.338 3.966 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.225 15.996 5.545 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.237 12.735 3.674 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.170 14.712 3.985 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.474 9.836 6.192 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.736 9.156 6.437 1.00 0.00 C ATOM 1584 C LEU B 12 -7.790 8.571 7.846 1.00 0.00 C ATOM 1585 O LEU B 12 -8.842 8.569 8.487 1.00 0.00 O ATOM 1586 CB LEU B 12 -7.913 8.051 5.397 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.306 7.432 5.322 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -10.303 8.442 4.777 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.278 6.177 4.462 1.00 0.00 C ATOM 0 H LEU B 12 -5.954 9.466 5.396 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.547 9.879 6.353 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.662 8.456 4.417 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -7.194 7.259 5.609 1.00 0.00 H new ATOM 0 HG LEU B 12 -9.622 7.150 6.326 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -11.292 7.987 4.729 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -10.335 9.312 5.433 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.997 8.752 3.778 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.278 5.745 4.416 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -8.947 6.433 3.455 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -8.589 5.453 4.897 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.652 8.069 8.316 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.559 7.472 9.647 1.00 0.00 C ATOM 1603 C GLU B 13 -7.523 6.298 9.786 1.00 0.00 C ATOM 1604 O GLU B 13 -7.599 5.483 8.843 1.00 0.00 O ATOM 1605 CB GLU B 13 -6.842 8.520 10.729 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.856 9.676 10.726 1.00 0.00 C ATOM 1607 CD GLU B 13 -6.131 10.683 11.827 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -6.090 10.291 13.013 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -6.386 11.861 11.503 1.00 0.00 O ATOM 1610 OXT GLU B 13 -8.193 6.201 10.837 1.00 0.00 O ATOM 0 H GLU B 13 -5.776 8.063 7.793 1.00 0.00 H new ATOM 0 HA GLU B 13 -5.543 7.100 9.778 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -7.849 8.912 10.589 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -6.820 8.037 11.706 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.845 9.286 10.840 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.896 10.180 9.760 1.00 0.00 H new TER 1617 GLU B 13