USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 999 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 121 SER OG : rot 59:sc= 0.778 USER MOD Set 1.2: A 123 HIS : no HD1:sc= -0.0696 X(o=0.71,f=0.77) USER MOD Set 2.1: A 74 SER OG : rot 2:sc= -0.474 USER MOD Set 2.2: A 88 GLN :FLIP amide:sc= -0.505 F(o=-1.6,f=-0.98) USER MOD Set 3.1: A 71 MET CE :methyl -129:sc= -0.333 (180deg=-0.443) USER MOD Set 3.2: A 87 CYS SG : rot 170:sc= -2.06 USER MOD Set 4.1: A 37 SER OG : rot -7:sc= 0.499 USER MOD Set 4.2: A 39 HIS :FLIP no HE2:sc= -0.585 F(o=-1.6!,f=-0.087) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -86:sc= 1.17 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 5 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5.4!) USER MOD Single : A 12 HIS : no HD1:sc= -0.919 X(o=-0.92,f=-0.64) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.0992 K(o=0.099,f=-6!) USER MOD Single : A 34 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.27) USER MOD Single : A 45 GLN :FLIP amide:sc= 0.397 F(o=-0.63,f=0.4) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0656 F(o=-0.91,f=-0.066) USER MOD Single : A 50 ASN :FLIP amide:sc= -1 F(o=-2.3!,f=-1) USER MOD Single : A 54 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.89) USER MOD Single : A 62 TYR OH : rot -148:sc= 0.262 USER MOD Single : A 89 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 94 SER OG : rot -175:sc= 0.306 USER MOD Single : A 96 SER OG : rot 75:sc= 1.29 USER MOD Single : A 97 HIS : no HD1:sc= 0.047 K(o=0.047,f=-4!) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.171 21.895 -10.186 1.00 0.00 N ATOM 2 CA MET A 1 17.540 21.693 -10.711 1.00 0.00 C ATOM 3 C MET A 1 17.564 21.995 -12.206 1.00 0.00 C ATOM 4 O MET A 1 18.106 23.018 -12.632 1.00 0.00 O ATOM 5 CB MET A 1 18.005 20.256 -10.442 1.00 0.00 C ATOM 6 CG MET A 1 19.519 20.095 -10.356 1.00 0.00 C ATOM 7 SD MET A 1 20.376 20.497 -11.893 1.00 0.00 S ATOM 8 CE MET A 1 22.076 20.199 -11.415 1.00 0.00 C ATOM 0 H1 MET A 1 16.156 21.689 -9.167 1.00 0.00 H new ATOM 0 H2 MET A 1 15.881 22.881 -10.344 1.00 0.00 H new ATOM 0 H3 MET A 1 15.513 21.257 -10.678 1.00 0.00 H new ATOM 0 HA MET A 1 18.224 22.373 -10.203 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.561 19.911 -9.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.626 19.609 -11.234 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.899 20.734 -9.560 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.752 19.067 -10.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.733 20.404 -12.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.340 20.853 -10.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.191 19.159 -11.110 1.00 0.00 H new ATOM 18 N SER A 2 16.960 21.110 -12.998 1.00 0.00 N ATOM 19 CA SER A 2 16.871 21.301 -14.442 1.00 0.00 C ATOM 20 C SER A 2 15.838 20.352 -15.047 1.00 0.00 C ATOM 21 O SER A 2 15.643 19.241 -14.549 1.00 0.00 O ATOM 22 CB SER A 2 18.240 21.073 -15.089 1.00 0.00 C ATOM 23 OG SER A 2 18.828 19.859 -14.641 1.00 0.00 O ATOM 0 H SER A 2 16.524 20.252 -12.661 1.00 0.00 H new ATOM 0 HA SER A 2 16.554 22.326 -14.636 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.132 21.049 -16.173 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.900 21.908 -14.853 1.00 0.00 H new ATOM 0 HG SER A 2 19.311 20.019 -13.803 1.00 0.00 H new ATOM 29 N ASP A 3 15.164 20.795 -16.102 1.00 0.00 N ATOM 30 CA ASP A 3 14.191 19.951 -16.785 1.00 0.00 C ATOM 31 C ASP A 3 14.884 19.092 -17.827 1.00 0.00 C ATOM 32 O ASP A 3 14.808 17.865 -17.781 1.00 0.00 O ATOM 33 CB ASP A 3 13.096 20.788 -17.456 1.00 0.00 C ATOM 34 CG ASP A 3 12.050 19.924 -18.139 1.00 0.00 C ATOM 35 OD1 ASP A 3 12.315 19.409 -19.246 1.00 0.00 O ATOM 36 OD2 ASP A 3 10.954 19.746 -17.571 1.00 0.00 O ATOM 0 H ASP A 3 15.272 21.727 -16.501 1.00 0.00 H new ATOM 0 HA ASP A 3 13.723 19.312 -16.036 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.613 21.417 -16.709 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.549 21.455 -18.190 1.00 0.00 H new ATOM 41 N GLN A 4 15.566 19.744 -18.766 1.00 0.00 N ATOM 42 CA GLN A 4 16.253 19.032 -19.833 1.00 0.00 C ATOM 43 C GLN A 4 17.363 18.152 -19.267 1.00 0.00 C ATOM 44 O GLN A 4 18.403 18.631 -18.804 1.00 0.00 O ATOM 45 CB GLN A 4 16.781 20.004 -20.895 1.00 0.00 C ATOM 46 CG GLN A 4 17.613 21.150 -20.347 1.00 0.00 C ATOM 47 CD GLN A 4 18.036 22.123 -21.429 1.00 0.00 C ATOM 48 OE1 GLN A 4 17.330 22.316 -22.418 1.00 0.00 O ATOM 49 NE2 GLN A 4 19.192 22.739 -21.252 1.00 0.00 N ATOM 0 H GLN A 4 15.656 20.759 -18.807 1.00 0.00 H new ATOM 0 HA GLN A 4 15.534 18.378 -20.326 1.00 0.00 H new ATOM 0 HB2 GLN A 4 17.383 19.446 -21.612 1.00 0.00 H new ATOM 0 HB3 GLN A 4 15.934 20.417 -21.443 1.00 0.00 H new ATOM 0 HG2 GLN A 4 17.040 21.682 -19.588 1.00 0.00 H new ATOM 0 HG3 GLN A 4 18.499 20.750 -19.855 1.00 0.00 H new ATOM 0 HE21 GLN A 4 19.748 22.551 -20.418 1.00 0.00 H new ATOM 0 HE22 GLN A 4 19.528 23.403 -21.950 1.00 0.00 H new ATOM 58 N HIS A 5 17.099 16.860 -19.284 1.00 0.00 N ATOM 59 CA HIS A 5 17.970 15.868 -18.677 1.00 0.00 C ATOM 60 C HIS A 5 17.948 14.588 -19.505 1.00 0.00 C ATOM 61 O HIS A 5 18.926 13.840 -19.554 1.00 0.00 O ATOM 62 CB HIS A 5 17.490 15.594 -17.245 1.00 0.00 C ATOM 63 CG HIS A 5 18.157 14.437 -16.566 1.00 0.00 C ATOM 64 ND1 HIS A 5 17.651 13.155 -16.597 1.00 0.00 N ATOM 65 CD2 HIS A 5 19.279 14.377 -15.816 1.00 0.00 C ATOM 66 CE1 HIS A 5 18.432 12.360 -15.891 1.00 0.00 C ATOM 67 NE2 HIS A 5 19.428 13.076 -15.406 1.00 0.00 N ATOM 0 H HIS A 5 16.268 16.464 -19.723 1.00 0.00 H new ATOM 0 HA HIS A 5 18.995 16.239 -18.646 1.00 0.00 H new ATOM 0 HB2 HIS A 5 17.651 16.490 -16.646 1.00 0.00 H new ATOM 0 HB3 HIS A 5 16.415 15.414 -17.266 1.00 0.00 H new ATOM 0 HD1 HIS A 5 16.805 12.866 -17.089 1.00 0.00 H new ATOM 0 HD2 HIS A 5 19.937 15.201 -15.582 1.00 0.00 H new ATOM 0 HE1 HIS A 5 18.281 11.302 -15.736 1.00 0.00 H new ATOM 76 N ASP A 6 16.823 14.350 -20.157 1.00 0.00 N ATOM 77 CA ASP A 6 16.630 13.151 -20.952 1.00 0.00 C ATOM 78 C ASP A 6 16.485 13.516 -22.419 1.00 0.00 C ATOM 79 O ASP A 6 16.115 14.646 -22.750 1.00 0.00 O ATOM 80 CB ASP A 6 15.373 12.403 -20.491 1.00 0.00 C ATOM 81 CG ASP A 6 15.492 11.843 -19.086 1.00 0.00 C ATOM 82 OD1 ASP A 6 15.559 12.636 -18.122 1.00 0.00 O ATOM 83 OD2 ASP A 6 15.499 10.603 -18.939 1.00 0.00 O ATOM 0 H ASP A 6 16.021 14.980 -20.150 1.00 0.00 H new ATOM 0 HA ASP A 6 17.500 12.507 -20.821 1.00 0.00 H new ATOM 0 HB2 ASP A 6 14.519 13.079 -20.534 1.00 0.00 H new ATOM 0 HB3 ASP A 6 15.169 11.587 -21.184 1.00 0.00 H new ATOM 88 N GLU A 7 16.784 12.567 -23.293 1.00 0.00 N ATOM 89 CA GLU A 7 16.553 12.740 -24.717 1.00 0.00 C ATOM 90 C GLU A 7 15.072 12.536 -24.993 1.00 0.00 C ATOM 91 O GLU A 7 14.468 13.206 -25.834 1.00 0.00 O ATOM 92 CB GLU A 7 17.397 11.745 -25.518 1.00 0.00 C ATOM 93 CG GLU A 7 17.195 11.831 -27.017 1.00 0.00 C ATOM 94 CD GLU A 7 18.096 10.877 -27.768 1.00 0.00 C ATOM 95 OE1 GLU A 7 19.207 11.290 -28.156 1.00 0.00 O ATOM 96 OE2 GLU A 7 17.703 9.706 -27.969 1.00 0.00 O ATOM 0 H GLU A 7 17.189 11.666 -23.039 1.00 0.00 H new ATOM 0 HA GLU A 7 16.846 13.744 -25.023 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.450 11.914 -25.293 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.159 10.734 -25.187 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.155 11.610 -27.255 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.389 12.850 -27.351 1.00 0.00 H new ATOM 103 N ARG A 8 14.498 11.604 -24.250 1.00 0.00 N ATOM 104 CA ARG A 8 13.069 11.362 -24.283 1.00 0.00 C ATOM 105 C ARG A 8 12.369 12.373 -23.383 1.00 0.00 C ATOM 106 O ARG A 8 13.012 13.246 -22.795 1.00 0.00 O ATOM 107 CB ARG A 8 12.765 9.950 -23.774 1.00 0.00 C ATOM 108 CG ARG A 8 13.607 8.865 -24.420 1.00 0.00 C ATOM 109 CD ARG A 8 13.109 8.512 -25.809 1.00 0.00 C ATOM 110 NE ARG A 8 13.992 7.556 -26.478 1.00 0.00 N ATOM 111 CZ ARG A 8 14.134 6.275 -26.126 1.00 0.00 C ATOM 112 NH1 ARG A 8 13.445 5.769 -25.106 1.00 0.00 N ATOM 113 NH2 ARG A 8 14.970 5.500 -26.801 1.00 0.00 N ATOM 0 H ARG A 8 15.009 10.997 -23.610 1.00 0.00 H new ATOM 0 HA ARG A 8 12.713 11.461 -25.309 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.921 9.922 -22.696 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.712 9.731 -23.949 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.643 9.197 -24.480 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.594 7.974 -23.793 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.106 8.092 -25.739 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.034 9.419 -26.409 1.00 0.00 H new ATOM 0 HE ARG A 8 14.539 7.892 -27.271 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.800 6.361 -24.583 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.562 4.789 -24.847 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.500 5.882 -27.584 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.083 4.521 -26.538 1.00 0.00 H new ATOM 127 N ARG A 9 11.061 12.264 -23.279 1.00 0.00 N ATOM 128 CA ARG A 9 10.331 13.010 -22.275 1.00 0.00 C ATOM 129 C ARG A 9 9.932 12.063 -21.157 1.00 0.00 C ATOM 130 O ARG A 9 9.358 11.001 -21.415 1.00 0.00 O ATOM 131 CB ARG A 9 9.096 13.694 -22.871 1.00 0.00 C ATOM 132 CG ARG A 9 8.156 14.265 -21.819 1.00 0.00 C ATOM 133 CD ARG A 9 6.989 15.009 -22.445 1.00 0.00 C ATOM 134 NE ARG A 9 7.308 16.407 -22.743 1.00 0.00 N ATOM 135 CZ ARG A 9 6.422 17.281 -23.225 1.00 0.00 C ATOM 136 NH1 ARG A 9 5.207 16.871 -23.568 1.00 0.00 N ATOM 137 NH2 ARG A 9 6.757 18.556 -23.385 1.00 0.00 N ATOM 0 H ARG A 9 10.484 11.669 -23.874 1.00 0.00 H new ATOM 0 HA ARG A 9 10.973 13.798 -21.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.419 14.497 -23.534 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.551 12.975 -23.483 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.777 13.457 -21.194 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.709 14.941 -21.167 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.692 14.504 -23.364 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.134 14.971 -21.770 1.00 0.00 H new ATOM 0 HE ARG A 9 8.260 16.731 -22.573 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.952 15.889 -23.463 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.529 17.538 -23.936 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.695 18.871 -23.139 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.076 19.220 -23.754 1.00 0.00 H new ATOM 151 N ARG A 10 10.264 12.428 -19.923 1.00 0.00 N ATOM 152 CA ARG A 10 9.903 11.612 -18.774 1.00 0.00 C ATOM 153 C ARG A 10 8.397 11.411 -18.761 1.00 0.00 C ATOM 154 O ARG A 10 7.648 12.315 -19.140 1.00 0.00 O ATOM 155 CB ARG A 10 10.350 12.253 -17.455 1.00 0.00 C ATOM 156 CG ARG A 10 11.838 12.568 -17.366 1.00 0.00 C ATOM 157 CD ARG A 10 12.155 13.929 -17.964 1.00 0.00 C ATOM 158 NE ARG A 10 11.342 14.985 -17.358 1.00 0.00 N ATOM 159 CZ ARG A 10 11.421 16.276 -17.680 1.00 0.00 C ATOM 160 NH1 ARG A 10 12.285 16.690 -18.600 1.00 0.00 N ATOM 161 NH2 ARG A 10 10.634 17.155 -17.076 1.00 0.00 N ATOM 0 H ARG A 10 10.779 13.278 -19.696 1.00 0.00 H new ATOM 0 HA ARG A 10 10.414 10.653 -18.864 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.789 13.176 -17.308 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.085 11.585 -16.635 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.154 12.545 -16.323 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.406 11.798 -17.889 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.212 14.154 -17.819 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.979 13.905 -19.039 1.00 0.00 H new ATOM 0 HE ARG A 10 10.669 14.714 -16.641 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.895 16.018 -19.066 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.339 17.680 -18.840 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.970 16.843 -16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.692 18.144 -17.320 1.00 0.00 H new ATOM 175 N PHE A 11 7.969 10.229 -18.339 1.00 0.00 N ATOM 176 CA PHE A 11 6.563 9.848 -18.393 1.00 0.00 C ATOM 177 C PHE A 11 5.661 10.900 -17.754 1.00 0.00 C ATOM 178 O PHE A 11 5.650 11.077 -16.537 1.00 0.00 O ATOM 179 CB PHE A 11 6.353 8.493 -17.715 1.00 0.00 C ATOM 180 CG PHE A 11 7.066 7.363 -18.401 1.00 0.00 C ATOM 181 CD1 PHE A 11 6.491 6.722 -19.488 1.00 0.00 C ATOM 182 CD2 PHE A 11 8.313 6.944 -17.965 1.00 0.00 C ATOM 183 CE1 PHE A 11 7.145 5.685 -20.125 1.00 0.00 C ATOM 184 CE2 PHE A 11 8.972 5.906 -18.598 1.00 0.00 C ATOM 185 CZ PHE A 11 8.387 5.277 -19.679 1.00 0.00 C ATOM 0 H PHE A 11 8.581 9.511 -17.952 1.00 0.00 H new ATOM 0 HA PHE A 11 6.287 9.772 -19.445 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.696 8.555 -16.682 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.286 8.273 -17.683 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.520 7.037 -19.841 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.776 7.434 -17.121 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.686 5.194 -20.970 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.943 5.588 -18.247 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.900 4.467 -20.175 1.00 0.00 H new ATOM 195 N HIS A 12 4.912 11.595 -18.600 1.00 0.00 N ATOM 196 CA HIS A 12 3.934 12.571 -18.147 1.00 0.00 C ATOM 197 C HIS A 12 2.574 11.888 -18.087 1.00 0.00 C ATOM 198 O HIS A 12 1.524 12.520 -18.140 1.00 0.00 O ATOM 199 CB HIS A 12 3.909 13.774 -19.098 1.00 0.00 C ATOM 200 CG HIS A 12 3.293 15.008 -18.508 1.00 0.00 C ATOM 201 ND1 HIS A 12 4.016 15.932 -17.782 1.00 0.00 N ATOM 202 CD2 HIS A 12 2.024 15.480 -18.552 1.00 0.00 C ATOM 203 CE1 HIS A 12 3.219 16.914 -17.407 1.00 0.00 C ATOM 204 NE2 HIS A 12 2.007 16.665 -17.862 1.00 0.00 N ATOM 0 H HIS A 12 4.966 11.498 -19.614 1.00 0.00 H new ATOM 0 HA HIS A 12 4.197 12.943 -17.157 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.930 14.002 -19.406 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.358 13.501 -19.998 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.182 15.011 -19.040 1.00 0.00 H new ATOM 0 HE1 HIS A 12 3.510 17.776 -16.826 1.00 0.00 H new ATOM 0 HE2 HIS A 12 1.189 17.258 -17.723 1.00 0.00 H new ATOM 213 N ARG A 13 2.633 10.572 -17.983 1.00 0.00 N ATOM 214 CA ARG A 13 1.462 9.729 -17.853 1.00 0.00 C ATOM 215 C ARG A 13 1.746 8.700 -16.768 1.00 0.00 C ATOM 216 O ARG A 13 2.885 8.247 -16.634 1.00 0.00 O ATOM 217 CB ARG A 13 1.155 9.039 -19.188 1.00 0.00 C ATOM 218 CG ARG A 13 2.276 8.135 -19.686 1.00 0.00 C ATOM 219 CD ARG A 13 2.024 7.650 -21.103 1.00 0.00 C ATOM 220 NE ARG A 13 2.040 8.746 -22.073 1.00 0.00 N ATOM 221 CZ ARG A 13 1.939 8.579 -23.394 1.00 0.00 C ATOM 222 NH1 ARG A 13 1.835 7.360 -23.911 1.00 0.00 N ATOM 223 NH2 ARG A 13 1.945 9.636 -24.198 1.00 0.00 N ATOM 0 H ARG A 13 3.511 10.053 -17.987 1.00 0.00 H new ATOM 0 HA ARG A 13 0.591 10.325 -17.582 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.245 8.448 -19.080 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.953 9.800 -19.942 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.222 8.676 -19.650 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.374 7.277 -19.021 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.783 6.916 -21.374 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.060 7.143 -21.146 1.00 0.00 H new ATOM 0 HE ARG A 13 2.134 9.697 -21.717 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.832 6.545 -23.298 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.758 7.239 -24.921 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.027 10.574 -23.806 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.868 9.510 -25.207 1.00 0.00 H new ATOM 237 N ILE A 14 0.743 8.340 -15.986 1.00 0.00 N ATOM 238 CA ILE A 14 0.985 7.442 -14.873 1.00 0.00 C ATOM 239 C ILE A 14 0.935 5.992 -15.336 1.00 0.00 C ATOM 240 O ILE A 14 -0.111 5.350 -15.322 1.00 0.00 O ATOM 241 CB ILE A 14 -0.023 7.659 -13.726 1.00 0.00 C ATOM 242 CG1 ILE A 14 -0.091 9.141 -13.335 1.00 0.00 C ATOM 243 CG2 ILE A 14 0.377 6.821 -12.523 1.00 0.00 C ATOM 244 CD1 ILE A 14 1.225 9.703 -12.831 1.00 0.00 C ATOM 0 H ILE A 14 -0.223 8.647 -16.097 1.00 0.00 H new ATOM 0 HA ILE A 14 1.981 7.666 -14.491 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.010 7.349 -14.069 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.415 9.721 -14.199 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.849 9.269 -12.563 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.339 6.978 -11.716 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.385 5.767 -12.800 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.372 7.116 -12.189 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.097 10.755 -12.575 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.542 9.150 -11.947 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.983 9.609 -13.609 1.00 0.00 H new ATOM 256 N ALA A 15 2.089 5.495 -15.748 1.00 0.00 N ATOM 257 CA ALA A 15 2.233 4.121 -16.195 1.00 0.00 C ATOM 258 C ALA A 15 3.698 3.728 -16.140 1.00 0.00 C ATOM 259 O ALA A 15 4.495 4.147 -16.978 1.00 0.00 O ATOM 260 CB ALA A 15 1.685 3.950 -17.604 1.00 0.00 C ATOM 0 H ALA A 15 2.954 6.035 -15.782 1.00 0.00 H new ATOM 0 HA ALA A 15 1.660 3.469 -15.535 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.804 2.913 -17.917 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.628 4.214 -17.618 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.230 4.600 -18.288 1.00 0.00 H new ATOM 266 N PHE A 16 4.057 2.950 -15.134 1.00 0.00 N ATOM 267 CA PHE A 16 5.452 2.612 -14.904 1.00 0.00 C ATOM 268 C PHE A 16 5.718 1.165 -15.277 1.00 0.00 C ATOM 269 O PHE A 16 4.793 0.356 -15.373 1.00 0.00 O ATOM 270 CB PHE A 16 5.826 2.818 -13.433 1.00 0.00 C ATOM 271 CG PHE A 16 5.031 3.885 -12.735 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.167 5.220 -13.080 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.148 3.544 -11.724 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.435 6.194 -12.430 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.415 4.511 -11.070 1.00 0.00 C ATOM 276 CZ PHE A 16 3.558 5.840 -11.422 1.00 0.00 C ATOM 0 H PHE A 16 3.405 2.541 -14.465 1.00 0.00 H new ATOM 0 HA PHE A 16 6.058 3.269 -15.528 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.693 1.876 -12.901 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.884 3.072 -13.372 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.853 5.502 -13.865 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.032 2.507 -11.444 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.548 7.231 -12.709 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.730 4.231 -10.284 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.986 6.600 -10.911 1.00 0.00 H new ATOM 286 N ASP A 17 6.987 0.841 -15.468 1.00 0.00 N ATOM 287 CA ASP A 17 7.393 -0.532 -15.707 1.00 0.00 C ATOM 288 C ASP A 17 7.539 -1.239 -14.366 1.00 0.00 C ATOM 289 O ASP A 17 8.632 -1.327 -13.804 1.00 0.00 O ATOM 290 CB ASP A 17 8.705 -0.580 -16.498 1.00 0.00 C ATOM 291 CG ASP A 17 9.122 -1.990 -16.864 1.00 0.00 C ATOM 292 OD1 ASP A 17 8.720 -2.472 -17.944 1.00 0.00 O ATOM 293 OD2 ASP A 17 9.883 -2.617 -16.092 1.00 0.00 O ATOM 0 H ASP A 17 7.754 1.513 -15.462 1.00 0.00 H new ATOM 0 HA ASP A 17 6.635 -1.040 -16.304 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.596 0.009 -17.409 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.495 -0.114 -15.910 1.00 0.00 H new ATOM 298 N ALA A 18 6.415 -1.679 -13.828 1.00 0.00 N ATOM 299 CA ALA A 18 6.381 -2.299 -12.518 1.00 0.00 C ATOM 300 C ALA A 18 5.517 -3.548 -12.544 1.00 0.00 C ATOM 301 O ALA A 18 4.513 -3.592 -13.256 1.00 0.00 O ATOM 302 CB ALA A 18 5.857 -1.306 -11.486 1.00 0.00 C ATOM 0 H ALA A 18 5.505 -1.616 -14.285 1.00 0.00 H new ATOM 0 HA ALA A 18 7.394 -2.591 -12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.834 -1.779 -10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.512 -0.435 -11.454 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.850 -0.993 -11.761 1.00 0.00 H new ATOM 308 N ASP A 19 5.907 -4.558 -11.778 1.00 0.00 N ATOM 309 CA ASP A 19 5.099 -5.768 -11.667 1.00 0.00 C ATOM 310 C ASP A 19 3.843 -5.463 -10.869 1.00 0.00 C ATOM 311 O ASP A 19 3.908 -5.198 -9.667 1.00 0.00 O ATOM 312 CB ASP A 19 5.869 -6.918 -11.001 1.00 0.00 C ATOM 313 CG ASP A 19 6.989 -7.470 -11.859 1.00 0.00 C ATOM 314 OD1 ASP A 19 8.167 -7.126 -11.606 1.00 0.00 O ATOM 315 OD2 ASP A 19 6.697 -8.266 -12.778 1.00 0.00 O ATOM 0 H ASP A 19 6.767 -4.566 -11.230 1.00 0.00 H new ATOM 0 HA ASP A 19 4.838 -6.089 -12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.284 -6.568 -10.056 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.173 -7.722 -10.764 1.00 0.00 H new ATOM 320 N SER A 20 2.711 -5.463 -11.544 1.00 0.00 N ATOM 321 CA SER A 20 1.451 -5.160 -10.899 1.00 0.00 C ATOM 322 C SER A 20 0.685 -6.444 -10.609 1.00 0.00 C ATOM 323 O SER A 20 0.193 -7.109 -11.522 1.00 0.00 O ATOM 324 CB SER A 20 0.615 -4.227 -11.782 1.00 0.00 C ATOM 325 OG SER A 20 -0.545 -3.769 -11.106 1.00 0.00 O ATOM 0 H SER A 20 2.639 -5.670 -12.540 1.00 0.00 H new ATOM 0 HA SER A 20 1.653 -4.656 -9.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.221 -3.373 -12.086 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.323 -4.751 -12.692 1.00 0.00 H new ATOM 0 HG SER A 20 -1.055 -3.175 -11.696 1.00 0.00 H new ATOM 331 N GLU A 21 0.615 -6.808 -9.339 1.00 0.00 N ATOM 332 CA GLU A 21 -0.162 -7.963 -8.939 1.00 0.00 C ATOM 333 C GLU A 21 -1.391 -7.515 -8.170 1.00 0.00 C ATOM 334 O GLU A 21 -1.279 -6.854 -7.134 1.00 0.00 O ATOM 335 CB GLU A 21 0.650 -8.920 -8.059 1.00 0.00 C ATOM 336 CG GLU A 21 2.010 -9.292 -8.622 1.00 0.00 C ATOM 337 CD GLU A 21 2.703 -10.361 -7.798 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.869 -10.168 -6.574 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.076 -11.403 -8.369 1.00 0.00 O ATOM 0 H GLU A 21 1.084 -6.323 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.451 -8.492 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.789 -8.463 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.072 -9.832 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.892 -9.646 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.639 -8.403 -8.662 1.00 0.00 H new ATOM 346 N ILE A 22 -2.559 -7.847 -8.684 1.00 0.00 N ATOM 347 CA ILE A 22 -3.783 -7.644 -7.942 1.00 0.00 C ATOM 348 C ILE A 22 -4.219 -8.970 -7.351 1.00 0.00 C ATOM 349 O ILE A 22 -4.579 -9.902 -8.068 1.00 0.00 O ATOM 350 CB ILE A 22 -4.911 -7.041 -8.804 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.532 -5.622 -9.240 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.223 -7.028 -8.027 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.558 -4.956 -10.133 1.00 0.00 C ATOM 0 H ILE A 22 -2.684 -8.257 -9.610 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.583 -6.921 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.045 -7.658 -9.693 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.385 -5.007 -8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.577 -5.657 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.010 -6.600 -8.648 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.493 -8.048 -7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.106 -6.427 -7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.216 -3.956 -10.397 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.689 -5.546 -11.040 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.509 -4.886 -9.605 1.00 0.00 H new ATOM 365 N LEU A 23 -4.143 -9.062 -6.044 1.00 0.00 N ATOM 366 CA LEU A 23 -4.405 -10.312 -5.363 1.00 0.00 C ATOM 367 C LEU A 23 -5.428 -10.122 -4.263 1.00 0.00 C ATOM 368 O LEU A 23 -5.832 -9.005 -3.955 1.00 0.00 O ATOM 369 CB LEU A 23 -3.110 -10.900 -4.780 1.00 0.00 C ATOM 370 CG LEU A 23 -2.443 -10.097 -3.656 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.470 -10.977 -2.890 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.711 -8.881 -4.209 1.00 0.00 C ATOM 0 H LEU A 23 -3.901 -8.285 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.806 -11.012 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.328 -11.899 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.391 -11.015 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.226 -9.750 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.003 -10.396 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.007 -11.821 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.702 -11.346 -3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.248 -8.331 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.941 -9.207 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.420 -8.234 -4.726 1.00 0.00 H new ATOM 384 N GLN A 24 -5.860 -11.229 -3.705 1.00 0.00 N ATOM 385 CA GLN A 24 -6.746 -11.226 -2.565 1.00 0.00 C ATOM 386 C GLN A 24 -6.311 -12.354 -1.646 1.00 0.00 C ATOM 387 O GLN A 24 -6.876 -13.451 -1.674 1.00 0.00 O ATOM 388 CB GLN A 24 -8.204 -11.391 -3.021 1.00 0.00 C ATOM 389 CG GLN A 24 -9.255 -10.994 -1.986 1.00 0.00 C ATOM 390 CD GLN A 24 -9.363 -11.966 -0.827 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.083 -12.961 -0.909 1.00 0.00 O ATOM 392 NE2 GLN A 24 -8.682 -11.673 0.269 1.00 0.00 N ATOM 0 H GLN A 24 -5.605 -12.161 -4.031 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.692 -10.278 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.357 -10.793 -3.920 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.366 -12.432 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.015 -10.004 -1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.225 -10.917 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.096 -10.839 0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.743 -12.281 1.085 1.00 0.00 H new ATOM 401 N GLY A 25 -5.249 -12.088 -0.889 1.00 0.00 N ATOM 402 CA GLY A 25 -4.678 -13.078 0.005 1.00 0.00 C ATOM 403 C GLY A 25 -4.137 -14.302 -0.717 1.00 0.00 C ATOM 404 O GLY A 25 -2.948 -14.382 -1.032 1.00 0.00 O ATOM 0 H GLY A 25 -4.768 -11.188 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.873 -12.618 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.438 -13.393 0.720 1.00 0.00 H new ATOM 408 N GLU A 26 -5.028 -15.239 -0.995 1.00 0.00 N ATOM 409 CA GLU A 26 -4.673 -16.534 -1.555 1.00 0.00 C ATOM 410 C GLU A 26 -4.582 -16.491 -3.084 1.00 0.00 C ATOM 411 O GLU A 26 -3.800 -17.225 -3.691 1.00 0.00 O ATOM 412 CB GLU A 26 -5.731 -17.552 -1.122 1.00 0.00 C ATOM 413 CG GLU A 26 -5.552 -18.940 -1.706 1.00 0.00 C ATOM 414 CD GLU A 26 -6.716 -19.845 -1.372 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.745 -19.783 -2.080 1.00 0.00 O ATOM 416 OE2 GLU A 26 -6.618 -20.616 -0.395 1.00 0.00 O ATOM 0 H GLU A 26 -6.029 -15.122 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.688 -16.819 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.721 -17.626 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.714 -17.177 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.447 -18.868 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.630 -19.378 -1.325 1.00 0.00 H new ATOM 423 N ARG A 27 -5.366 -15.623 -3.703 1.00 0.00 N ATOM 424 CA ARG A 27 -5.502 -15.618 -5.155 1.00 0.00 C ATOM 425 C ARG A 27 -4.771 -14.430 -5.766 1.00 0.00 C ATOM 426 O ARG A 27 -5.037 -13.291 -5.406 1.00 0.00 O ATOM 427 CB ARG A 27 -6.986 -15.575 -5.525 1.00 0.00 C ATOM 428 CG ARG A 27 -7.749 -16.819 -5.103 1.00 0.00 C ATOM 429 CD ARG A 27 -9.255 -16.600 -5.145 1.00 0.00 C ATOM 430 NE ARG A 27 -9.697 -15.649 -4.122 1.00 0.00 N ATOM 431 CZ ARG A 27 -10.974 -15.443 -3.798 1.00 0.00 C ATOM 432 NH1 ARG A 27 -11.941 -16.088 -4.442 1.00 0.00 N ATOM 433 NH2 ARG A 27 -11.284 -14.589 -2.827 1.00 0.00 N ATOM 0 H ARG A 27 -5.919 -14.912 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.054 -16.528 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.444 -14.702 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.080 -15.448 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.484 -17.648 -5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.451 -17.103 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.541 -16.232 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.765 -17.553 -5.000 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.985 -15.112 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.708 -16.744 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.916 -15.927 -4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.545 -14.092 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.261 -14.431 -2.579 1.00 0.00 H new ATOM 447 N ARG A 28 -3.853 -14.703 -6.690 1.00 0.00 N ATOM 448 CA ARG A 28 -3.058 -13.649 -7.320 1.00 0.00 C ATOM 449 C ARG A 28 -3.406 -13.513 -8.799 1.00 0.00 C ATOM 450 O ARG A 28 -3.519 -14.512 -9.506 1.00 0.00 O ATOM 451 CB ARG A 28 -1.559 -13.951 -7.193 1.00 0.00 C ATOM 452 CG ARG A 28 -0.668 -12.831 -7.717 1.00 0.00 C ATOM 453 CD ARG A 28 0.732 -13.323 -8.061 1.00 0.00 C ATOM 454 NE ARG A 28 0.747 -14.149 -9.272 1.00 0.00 N ATOM 455 CZ ARG A 28 1.479 -13.881 -10.359 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.288 -12.826 -10.392 1.00 0.00 N ATOM 457 NH2 ARG A 28 1.412 -14.689 -11.409 1.00 0.00 N ATOM 0 H ARG A 28 -3.640 -15.644 -7.020 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.289 -12.716 -6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.321 -14.134 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.334 -14.869 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.124 -12.390 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.600 -12.042 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.392 -12.467 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.128 -13.900 -7.225 1.00 0.00 H new ATOM 0 HE ARG A 28 0.160 -14.983 -9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.356 -12.210 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.841 -12.633 -11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.805 -15.508 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.967 -14.491 -12.241 1.00 0.00 H new ATOM 471 N TRP A 29 -3.575 -12.281 -9.257 1.00 0.00 N ATOM 472 CA TRP A 29 -3.757 -12.007 -10.675 1.00 0.00 C ATOM 473 C TRP A 29 -2.803 -10.913 -11.134 1.00 0.00 C ATOM 474 O TRP A 29 -2.947 -9.745 -10.767 1.00 0.00 O ATOM 475 CB TRP A 29 -5.204 -11.614 -10.985 1.00 0.00 C ATOM 476 CG TRP A 29 -6.116 -12.792 -11.159 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.260 -13.552 -12.284 1.00 0.00 C ATOM 478 CD2 TRP A 29 -7.013 -13.343 -10.187 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.188 -14.540 -12.072 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.665 -14.433 -10.794 1.00 0.00 C ATOM 481 CE3 TRP A 29 -7.329 -13.020 -8.865 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.611 -15.202 -10.122 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -8.268 -13.783 -8.200 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.901 -14.864 -8.829 1.00 0.00 C ATOM 0 H TRP A 29 -3.590 -11.451 -8.664 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.532 -12.923 -11.222 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.583 -10.986 -10.179 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.223 -11.012 -11.893 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.721 -13.398 -13.207 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.476 -15.240 -12.756 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.847 -12.188 -8.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.099 -16.036 -10.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.519 -13.543 -7.177 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.632 -15.441 -8.282 1.00 0.00 H new ATOM 495 N GLU A 30 -1.803 -11.310 -11.907 1.00 0.00 N ATOM 496 CA GLU A 30 -0.845 -10.373 -12.478 1.00 0.00 C ATOM 497 C GLU A 30 -1.510 -9.570 -13.594 1.00 0.00 C ATOM 498 O GLU A 30 -2.120 -10.142 -14.499 1.00 0.00 O ATOM 499 CB GLU A 30 0.361 -11.146 -13.012 1.00 0.00 C ATOM 500 CG GLU A 30 1.527 -10.272 -13.434 1.00 0.00 C ATOM 501 CD GLU A 30 2.698 -11.097 -13.920 1.00 0.00 C ATOM 502 OE1 GLU A 30 2.815 -11.311 -15.145 1.00 0.00 O ATOM 503 OE2 GLU A 30 3.495 -11.563 -13.076 1.00 0.00 O ATOM 0 H GLU A 30 -1.633 -12.285 -12.155 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.506 -9.678 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.702 -11.840 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.044 -11.746 -13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.206 -9.594 -14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.841 -9.654 -12.593 1.00 0.00 H new ATOM 510 N VAL A 31 -1.394 -8.251 -13.530 1.00 0.00 N ATOM 511 CA VAL A 31 -2.108 -7.378 -14.452 1.00 0.00 C ATOM 512 C VAL A 31 -1.210 -6.236 -14.942 1.00 0.00 C ATOM 513 O VAL A 31 -0.185 -5.934 -14.331 1.00 0.00 O ATOM 514 CB VAL A 31 -3.375 -6.802 -13.772 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.003 -5.868 -12.632 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.274 -6.099 -14.776 1.00 0.00 C ATOM 0 H VAL A 31 -0.813 -7.762 -12.850 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.404 -7.972 -15.316 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.935 -7.640 -13.357 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.910 -5.477 -12.171 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.425 -6.415 -11.887 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.407 -5.041 -13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.153 -5.707 -14.265 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.728 -5.278 -15.241 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.586 -6.807 -15.543 1.00 0.00 H new ATOM 526 N LEU A 32 -1.594 -5.622 -16.055 1.00 0.00 N ATOM 527 CA LEU A 32 -0.871 -4.479 -16.592 1.00 0.00 C ATOM 528 C LEU A 32 -1.528 -3.177 -16.142 1.00 0.00 C ATOM 529 O LEU A 32 -2.743 -2.996 -16.284 1.00 0.00 O ATOM 530 CB LEU A 32 -0.816 -4.525 -18.126 1.00 0.00 C ATOM 531 CG LEU A 32 0.144 -5.554 -18.739 1.00 0.00 C ATOM 532 CD1 LEU A 32 -0.354 -6.978 -18.526 1.00 0.00 C ATOM 533 CD2 LEU A 32 0.334 -5.275 -20.221 1.00 0.00 C ATOM 0 H LEU A 32 -2.407 -5.900 -16.605 1.00 0.00 H new ATOM 0 HA LEU A 32 0.149 -4.522 -16.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.820 -4.728 -18.499 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.535 -3.536 -18.489 1.00 0.00 H new ATOM 0 HG LEU A 32 1.105 -5.460 -18.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.350 -7.680 -18.973 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.438 -7.178 -17.458 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.331 -7.096 -18.995 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.017 -6.011 -20.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.628 -5.337 -20.729 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.750 -4.276 -20.353 1.00 0.00 H new ATOM 545 N LEU A 33 -0.721 -2.275 -15.603 1.00 0.00 N ATOM 546 CA LEU A 33 -1.206 -0.989 -15.121 1.00 0.00 C ATOM 547 C LEU A 33 -1.350 -0.012 -16.287 1.00 0.00 C ATOM 548 O LEU A 33 -0.505 0.030 -17.179 1.00 0.00 O ATOM 549 CB LEU A 33 -0.240 -0.446 -14.055 1.00 0.00 C ATOM 550 CG LEU A 33 -0.674 0.835 -13.330 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.058 0.884 -11.941 1.00 0.00 C ATOM 552 CD2 LEU A 33 -0.260 2.071 -14.112 1.00 0.00 C ATOM 0 H LEU A 33 0.283 -2.412 -15.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.189 -1.113 -14.667 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.083 -1.224 -13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.723 -0.260 -14.530 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.761 0.823 -13.247 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.373 1.797 -11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.388 0.019 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.029 0.871 -12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.580 2.965 -13.576 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.824 2.084 -14.225 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.727 2.052 -15.097 1.00 0.00 H new ATOM 564 N HIS A 34 -2.438 0.750 -16.291 1.00 0.00 N ATOM 565 CA HIS A 34 -2.684 1.733 -17.347 1.00 0.00 C ATOM 566 C HIS A 34 -2.581 3.151 -16.796 1.00 0.00 C ATOM 567 O HIS A 34 -2.006 4.025 -17.439 1.00 0.00 O ATOM 568 CB HIS A 34 -4.050 1.493 -17.993 1.00 0.00 C ATOM 569 CG HIS A 34 -4.079 0.300 -18.902 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.402 0.382 -20.234 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.820 -1.008 -18.665 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.345 -0.815 -20.778 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.993 -1.681 -19.850 1.00 0.00 N ATOM 0 H HIS A 34 -3.165 0.708 -15.577 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.920 1.615 -18.115 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.796 1.361 -17.209 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.336 2.379 -18.560 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.531 -1.442 -17.719 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.552 -1.048 -21.812 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.869 -2.684 -19.988 1.00 0.00 H new ATOM 582 N ASP A 35 -3.152 3.367 -15.612 1.00 0.00 N ATOM 583 CA ASP A 35 -3.004 4.633 -14.888 1.00 0.00 C ATOM 584 C ASP A 35 -3.447 4.445 -13.441 1.00 0.00 C ATOM 585 O ASP A 35 -4.428 3.750 -13.176 1.00 0.00 O ATOM 586 CB ASP A 35 -3.815 5.758 -15.549 1.00 0.00 C ATOM 587 CG ASP A 35 -3.542 7.118 -14.921 1.00 0.00 C ATOM 588 OD1 ASP A 35 -2.769 7.916 -15.506 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.110 7.405 -13.847 1.00 0.00 O ATOM 0 H ASP A 35 -3.726 2.676 -15.129 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.954 4.924 -14.916 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.577 5.797 -16.612 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.878 5.531 -15.469 1.00 0.00 H new ATOM 594 N VAL A 36 -2.713 5.034 -12.508 1.00 0.00 N ATOM 595 CA VAL A 36 -3.029 4.911 -11.090 1.00 0.00 C ATOM 596 C VAL A 36 -2.989 6.283 -10.415 1.00 0.00 C ATOM 597 O VAL A 36 -2.145 7.118 -10.731 1.00 0.00 O ATOM 598 CB VAL A 36 -2.070 3.924 -10.370 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.619 4.363 -10.490 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.454 3.757 -8.907 1.00 0.00 C ATOM 0 H VAL A 36 -1.891 5.604 -12.707 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.038 4.506 -11.011 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.170 2.959 -10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.021 3.648 -9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.338 4.408 -11.542 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.499 5.348 -10.040 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.766 3.061 -8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.402 4.723 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.470 3.368 -8.840 1.00 0.00 H new ATOM 610 N SER A 37 -3.909 6.517 -9.492 1.00 0.00 N ATOM 611 CA SER A 37 -4.021 7.813 -8.851 1.00 0.00 C ATOM 612 C SER A 37 -4.448 7.676 -7.391 1.00 0.00 C ATOM 613 O SER A 37 -4.506 6.571 -6.849 1.00 0.00 O ATOM 614 CB SER A 37 -5.023 8.667 -9.618 1.00 0.00 C ATOM 615 OG SER A 37 -6.260 7.989 -9.746 1.00 0.00 O ATOM 0 H SER A 37 -4.587 5.826 -9.172 1.00 0.00 H new ATOM 0 HA SER A 37 -3.043 8.294 -8.863 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.173 9.614 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.627 8.903 -10.606 1.00 0.00 H new ATOM 0 HG SER A 37 -6.166 7.072 -9.414 1.00 0.00 H new ATOM 621 N LEU A 38 -4.783 8.804 -6.775 1.00 0.00 N ATOM 622 CA LEU A 38 -5.106 8.842 -5.353 1.00 0.00 C ATOM 623 C LEU A 38 -6.571 8.486 -5.111 1.00 0.00 C ATOM 624 O LEU A 38 -6.983 8.235 -3.980 1.00 0.00 O ATOM 625 CB LEU A 38 -4.809 10.236 -4.788 1.00 0.00 C ATOM 626 CG LEU A 38 -3.359 10.707 -4.940 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.206 12.129 -4.423 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.412 9.763 -4.211 1.00 0.00 C ATOM 0 H LEU A 38 -4.838 9.710 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.487 8.103 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.462 10.957 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.067 10.244 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.101 10.698 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.170 12.449 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.856 12.794 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.482 12.165 -3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.387 10.113 -4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.667 9.739 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.504 8.761 -4.629 1.00 0.00 H new ATOM 640 N HIS A 39 -7.348 8.458 -6.186 1.00 0.00 N ATOM 641 CA HIS A 39 -8.782 8.186 -6.095 1.00 0.00 C ATOM 642 C HIS A 39 -9.123 6.803 -6.634 1.00 0.00 C ATOM 643 O HIS A 39 -10.174 6.245 -6.321 1.00 0.00 O ATOM 644 CB HIS A 39 -9.591 9.241 -6.859 1.00 0.00 C ATOM 645 CG HIS A 39 -9.088 9.531 -8.229 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.160 10.413 -8.661 1.00 0.00 N flip ATOM 647 CD2 HIS A 39 -9.541 8.874 -9.344 1.00 0.00 C flip ATOM 648 CE1 HIS A 39 -8.068 10.272 -10.019 1.00 0.00 C flip ATOM 649 NE2 HIS A 39 -8.912 9.336 -10.403 1.00 0.00 N flip ATOM 0 H HIS A 39 -7.011 8.620 -7.135 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.047 8.225 -5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.626 8.907 -6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.593 10.166 -6.283 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -7.627 11.063 -8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.294 8.100 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.413 10.834 -10.668 1.00 0.00 H new ATOM 658 N GLY A 40 -8.229 6.248 -7.434 1.00 0.00 N ATOM 659 CA GLY A 40 -8.506 4.984 -8.073 1.00 0.00 C ATOM 660 C GLY A 40 -7.399 4.561 -9.010 1.00 0.00 C ATOM 661 O GLY A 40 -6.396 5.262 -9.152 1.00 0.00 O ATOM 0 H GLY A 40 -7.317 6.651 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.647 4.217 -7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.441 5.057 -8.628 1.00 0.00 H new ATOM 665 N ILE A 41 -7.596 3.432 -9.662 1.00 0.00 N ATOM 666 CA ILE A 41 -6.599 2.876 -10.560 1.00 0.00 C ATOM 667 C ILE A 41 -7.277 2.112 -11.692 1.00 0.00 C ATOM 668 O ILE A 41 -8.199 1.329 -11.461 1.00 0.00 O ATOM 669 CB ILE A 41 -5.613 1.946 -9.804 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.635 1.280 -10.781 1.00 0.00 C ATOM 671 CG2 ILE A 41 -6.368 0.899 -8.995 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.612 0.383 -10.113 1.00 0.00 C ATOM 0 H ILE A 41 -8.447 2.875 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.027 3.704 -10.979 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.035 2.557 -9.110 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.202 0.692 -11.503 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.113 2.055 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.656 0.259 -8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.010 1.395 -8.267 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.979 0.293 -9.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.958 -0.050 -10.870 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.017 0.969 -9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.124 -0.416 -9.576 1.00 0.00 H new ATOM 684 N LEU A 42 -6.834 2.360 -12.913 1.00 0.00 N ATOM 685 CA LEU A 42 -7.383 1.687 -14.074 1.00 0.00 C ATOM 686 C LEU A 42 -6.375 0.690 -14.631 1.00 0.00 C ATOM 687 O LEU A 42 -5.297 1.069 -15.100 1.00 0.00 O ATOM 688 CB LEU A 42 -7.763 2.701 -15.157 1.00 0.00 C ATOM 689 CG LEU A 42 -8.367 2.097 -16.426 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.711 1.455 -16.128 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.510 3.156 -17.504 1.00 0.00 C ATOM 0 H LEU A 42 -6.091 3.027 -13.125 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.281 1.152 -13.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.476 3.410 -14.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.873 3.268 -15.431 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.692 1.323 -16.791 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.123 1.032 -17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.581 0.664 -15.389 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.395 2.208 -15.737 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.941 2.708 -18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.162 3.953 -17.147 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.529 3.569 -17.741 1.00 0.00 H new ATOM 703 N VAL A 43 -6.716 -0.584 -14.558 1.00 0.00 N ATOM 704 CA VAL A 43 -5.873 -1.628 -15.115 1.00 0.00 C ATOM 705 C VAL A 43 -6.571 -2.296 -16.290 1.00 0.00 C ATOM 706 O VAL A 43 -7.766 -2.091 -16.509 1.00 0.00 O ATOM 707 CB VAL A 43 -5.501 -2.699 -14.067 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.694 -2.083 -12.933 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.748 -3.387 -13.530 1.00 0.00 C ATOM 0 H VAL A 43 -7.572 -0.922 -14.118 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.952 -1.150 -15.449 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.883 -3.452 -14.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.442 -2.854 -12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.778 -1.648 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.283 -1.305 -12.448 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.461 -4.137 -12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.398 -2.648 -13.061 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.280 -3.869 -14.351 1.00 0.00 H new ATOM 719 N GLY A 44 -5.825 -3.084 -17.042 1.00 0.00 N ATOM 720 CA GLY A 44 -6.393 -3.767 -18.182 1.00 0.00 C ATOM 721 C GLY A 44 -6.164 -5.254 -18.102 1.00 0.00 C ATOM 722 O GLY A 44 -5.023 -5.715 -18.167 1.00 0.00 O ATOM 0 H GLY A 44 -4.834 -3.264 -16.884 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.463 -3.564 -18.234 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.950 -3.378 -19.099 1.00 0.00 H new ATOM 726 N GLN A 45 -7.240 -6.009 -17.947 1.00 0.00 N ATOM 727 CA GLN A 45 -7.134 -7.451 -17.832 1.00 0.00 C ATOM 728 C GLN A 45 -7.664 -8.130 -19.084 1.00 0.00 C ATOM 729 O GLN A 45 -8.859 -8.070 -19.380 1.00 0.00 O ATOM 730 CB GLN A 45 -7.889 -7.975 -16.610 1.00 0.00 C ATOM 731 CG GLN A 45 -7.414 -7.389 -15.293 1.00 0.00 C ATOM 732 CD GLN A 45 -7.982 -8.114 -14.087 1.00 0.00 C ATOM 733 OE1 GLN A 45 -9.144 -8.725 -14.251 1.00 0.00 O flip ATOM 734 NE2 GLN A 45 -7.373 -8.141 -13.023 1.00 0.00 N flip ATOM 0 H GLN A 45 -8.192 -5.647 -17.898 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.077 -7.687 -17.712 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.950 -7.758 -16.731 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.788 -9.060 -16.571 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.325 -7.428 -15.255 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.697 -6.337 -15.245 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.479 -7.658 -12.935 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.760 -8.647 -12.226 1.00 0.00 H new ATOM 743 N PRO A 46 -6.770 -8.788 -19.831 1.00 0.00 N ATOM 744 CA PRO A 46 -7.136 -9.585 -21.005 1.00 0.00 C ATOM 745 C PRO A 46 -7.709 -10.944 -20.602 1.00 0.00 C ATOM 746 O PRO A 46 -7.852 -11.848 -21.424 1.00 0.00 O ATOM 747 CB PRO A 46 -5.804 -9.748 -21.736 1.00 0.00 C ATOM 748 CG PRO A 46 -4.776 -9.708 -20.657 1.00 0.00 C ATOM 749 CD PRO A 46 -5.318 -8.793 -19.589 1.00 0.00 C ATOM 0 HA PRO A 46 -7.910 -9.117 -21.613 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.766 -10.689 -22.285 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.649 -8.949 -22.461 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.593 -10.706 -20.258 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.825 -9.338 -21.040 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.081 -9.160 -18.590 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.896 -7.791 -19.669 1.00 0.00 H new ATOM 757 N GLN A 47 -8.014 -11.069 -19.318 1.00 0.00 N ATOM 758 CA GLN A 47 -8.623 -12.262 -18.760 1.00 0.00 C ATOM 759 C GLN A 47 -9.512 -11.858 -17.590 1.00 0.00 C ATOM 760 O GLN A 47 -9.070 -11.142 -16.691 1.00 0.00 O ATOM 761 CB GLN A 47 -7.542 -13.246 -18.296 1.00 0.00 C ATOM 762 CG GLN A 47 -8.090 -14.539 -17.706 1.00 0.00 C ATOM 763 CD GLN A 47 -8.927 -15.332 -18.692 1.00 0.00 C ATOM 764 OE1 GLN A 47 -8.572 -15.268 -19.965 1.00 0.00 O flip ATOM 765 NE2 GLN A 47 -9.868 -16.024 -18.308 1.00 0.00 N flip ATOM 0 H GLN A 47 -7.843 -10.336 -18.630 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.225 -12.757 -19.522 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.900 -13.489 -19.142 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.916 -12.756 -17.551 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.260 -15.156 -17.364 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.695 -14.305 -16.830 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.113 -16.048 -17.318 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.404 -16.574 -18.979 1.00 0.00 H new ATOM 774 N ASP A 48 -10.761 -12.290 -17.616 1.00 0.00 N ATOM 775 CA ASP A 48 -11.706 -11.930 -16.569 1.00 0.00 C ATOM 776 C ASP A 48 -11.657 -12.938 -15.430 1.00 0.00 C ATOM 777 O ASP A 48 -11.644 -14.147 -15.657 1.00 0.00 O ATOM 778 CB ASP A 48 -13.131 -11.825 -17.128 1.00 0.00 C ATOM 779 CG ASP A 48 -13.324 -10.623 -18.037 1.00 0.00 C ATOM 780 OD1 ASP A 48 -13.005 -10.721 -19.244 1.00 0.00 O ATOM 781 OD2 ASP A 48 -13.812 -9.575 -17.556 1.00 0.00 O ATOM 0 H ASP A 48 -11.145 -12.889 -18.347 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.419 -10.953 -16.180 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.366 -12.734 -17.682 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.837 -11.765 -16.300 1.00 0.00 H new ATOM 786 N TRP A 49 -11.609 -12.429 -14.208 1.00 0.00 N ATOM 787 CA TRP A 49 -11.563 -13.274 -13.019 1.00 0.00 C ATOM 788 C TRP A 49 -12.973 -13.600 -12.515 1.00 0.00 C ATOM 789 O TRP A 49 -13.721 -14.321 -13.171 1.00 0.00 O ATOM 790 CB TRP A 49 -10.719 -12.609 -11.918 1.00 0.00 C ATOM 791 CG TRP A 49 -10.985 -11.136 -11.710 1.00 0.00 C ATOM 792 CD1 TRP A 49 -12.092 -10.420 -12.084 1.00 0.00 C ATOM 793 CD2 TRP A 49 -10.115 -10.207 -11.060 1.00 0.00 C ATOM 794 NE1 TRP A 49 -11.954 -9.108 -11.713 1.00 0.00 N ATOM 795 CE2 TRP A 49 -10.750 -8.951 -11.079 1.00 0.00 C ATOM 796 CE3 TRP A 49 -8.858 -10.316 -10.464 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.169 -7.817 -10.524 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -8.282 -9.191 -9.913 1.00 0.00 C ATOM 799 CH2 TRP A 49 -8.938 -7.955 -9.945 1.00 0.00 C ATOM 0 H TRP A 49 -11.601 -11.428 -14.011 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.087 -14.216 -13.290 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.899 -13.131 -10.978 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.664 -12.742 -12.160 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.949 -10.830 -12.597 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.637 -8.369 -11.881 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.345 -11.266 -10.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.672 -6.861 -10.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.309 -9.265 -9.449 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.462 -7.092 -9.503 1.00 0.00 H new ATOM 810 N ASN A 50 -13.335 -13.072 -11.350 1.00 0.00 N ATOM 811 CA ASN A 50 -14.685 -13.227 -10.840 1.00 0.00 C ATOM 812 C ASN A 50 -15.500 -12.010 -11.231 1.00 0.00 C ATOM 813 O ASN A 50 -16.440 -12.102 -12.013 1.00 0.00 O ATOM 814 CB ASN A 50 -14.684 -13.389 -9.318 1.00 0.00 C ATOM 815 CG ASN A 50 -16.056 -13.737 -8.764 1.00 0.00 C ATOM 816 OD1 ASN A 50 -16.862 -12.726 -8.469 1.00 0.00 O flip ATOM 817 ND2 ASN A 50 -16.390 -14.909 -8.602 1.00 0.00 N flip ATOM 0 H ASN A 50 -12.712 -12.536 -10.746 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.125 -14.126 -11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.976 -14.170 -9.040 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.335 -12.464 -8.859 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.743 -15.661 -8.840 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -17.314 -15.129 -8.230 1.00 0.00 H new ATOM 824 N GLY A 51 -15.129 -10.859 -10.683 1.00 0.00 N ATOM 825 CA GLY A 51 -15.793 -9.633 -11.057 1.00 0.00 C ATOM 826 C GLY A 51 -16.856 -9.282 -10.058 1.00 0.00 C ATOM 827 O GLY A 51 -18.043 -9.276 -10.371 1.00 0.00 O ATOM 0 H GLY A 51 -14.386 -10.757 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.065 -8.824 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.238 -9.741 -12.046 1.00 0.00 H new ATOM 831 N ASP A 52 -16.419 -9.022 -8.842 1.00 0.00 N ATOM 832 CA ASP A 52 -17.327 -8.756 -7.748 1.00 0.00 C ATOM 833 C ASP A 52 -16.860 -7.531 -6.977 1.00 0.00 C ATOM 834 O ASP A 52 -15.827 -7.567 -6.313 1.00 0.00 O ATOM 835 CB ASP A 52 -17.391 -9.973 -6.826 1.00 0.00 C ATOM 836 CG ASP A 52 -18.498 -9.870 -5.804 1.00 0.00 C ATOM 837 OD1 ASP A 52 -18.254 -9.319 -4.722 1.00 0.00 O ATOM 838 OD2 ASP A 52 -19.611 -10.362 -6.087 1.00 0.00 O ATOM 0 H ASP A 52 -15.432 -8.990 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.324 -8.561 -8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.538 -10.871 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.436 -10.085 -6.312 1.00 0.00 H new ATOM 843 N PRO A 53 -17.603 -6.425 -7.086 1.00 0.00 N ATOM 844 CA PRO A 53 -17.273 -5.162 -6.409 1.00 0.00 C ATOM 845 C PRO A 53 -17.391 -5.256 -4.887 1.00 0.00 C ATOM 846 O PRO A 53 -16.970 -4.351 -4.166 1.00 0.00 O ATOM 847 CB PRO A 53 -18.306 -4.168 -6.960 1.00 0.00 C ATOM 848 CG PRO A 53 -18.906 -4.829 -8.154 1.00 0.00 C ATOM 849 CD PRO A 53 -18.818 -6.304 -7.899 1.00 0.00 C ATOM 0 HA PRO A 53 -16.239 -4.872 -6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -19.068 -3.941 -6.214 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.834 -3.223 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.942 -4.518 -8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.368 -4.557 -9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.696 -6.676 -7.371 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.741 -6.870 -8.827 1.00 0.00 H new ATOM 857 N GLN A 54 -17.956 -6.357 -4.403 1.00 0.00 N ATOM 858 CA GLN A 54 -18.085 -6.574 -2.969 1.00 0.00 C ATOM 859 C GLN A 54 -16.790 -7.172 -2.443 1.00 0.00 C ATOM 860 O GLN A 54 -16.546 -7.214 -1.238 1.00 0.00 O ATOM 861 CB GLN A 54 -19.259 -7.509 -2.640 1.00 0.00 C ATOM 862 CG GLN A 54 -20.647 -6.928 -2.888 1.00 0.00 C ATOM 863 CD GLN A 54 -20.920 -6.586 -4.342 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.726 -5.449 -4.774 1.00 0.00 O ATOM 865 NE2 GLN A 54 -21.357 -7.573 -5.111 1.00 0.00 N ATOM 0 H GLN A 54 -18.330 -7.109 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.283 -5.615 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.154 -8.419 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -19.187 -7.800 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -21.396 -7.643 -2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -20.767 -6.028 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.505 -8.501 -4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -21.545 -7.405 -6.099 1.00 0.00 H new ATOM 874 N ARG A 55 -15.963 -7.628 -3.374 1.00 0.00 N ATOM 875 CA ARG A 55 -14.678 -8.213 -3.049 1.00 0.00 C ATOM 876 C ARG A 55 -13.562 -7.184 -3.191 1.00 0.00 C ATOM 877 O ARG A 55 -13.252 -6.732 -4.294 1.00 0.00 O ATOM 878 CB ARG A 55 -14.418 -9.440 -3.934 1.00 0.00 C ATOM 879 CG ARG A 55 -15.110 -10.688 -3.414 1.00 0.00 C ATOM 880 CD ARG A 55 -15.051 -11.827 -4.412 1.00 0.00 C ATOM 881 NE ARG A 55 -15.386 -13.109 -3.787 1.00 0.00 N ATOM 882 CZ ARG A 55 -16.193 -14.022 -4.328 1.00 0.00 C ATOM 883 NH1 ARG A 55 -16.783 -13.792 -5.491 1.00 0.00 N ATOM 884 NH2 ARG A 55 -16.419 -15.167 -3.696 1.00 0.00 N ATOM 0 H ARG A 55 -16.167 -7.601 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.695 -8.538 -2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.762 -9.233 -4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.345 -9.621 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.642 -11.000 -2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.151 -10.458 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.742 -11.630 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.052 -11.882 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.974 -13.317 -2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.621 -12.911 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.399 -14.496 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.975 -15.349 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.037 -15.865 -4.110 1.00 0.00 H new ATOM 898 N PRO A 56 -12.972 -6.771 -2.061 1.00 0.00 N ATOM 899 CA PRO A 56 -11.842 -5.843 -2.056 1.00 0.00 C ATOM 900 C PRO A 56 -10.581 -6.497 -2.610 1.00 0.00 C ATOM 901 O PRO A 56 -10.325 -7.681 -2.375 1.00 0.00 O ATOM 902 CB PRO A 56 -11.666 -5.487 -0.579 1.00 0.00 C ATOM 903 CG PRO A 56 -12.260 -6.630 0.167 1.00 0.00 C ATOM 904 CD PRO A 56 -13.364 -7.173 -0.698 1.00 0.00 C ATOM 0 HA PRO A 56 -12.020 -4.971 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.614 -5.356 -0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.171 -4.552 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.510 -7.396 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.647 -6.305 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.447 -8.256 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.332 -6.756 -0.420 1.00 0.00 H new ATOM 912 N PHE A 57 -9.788 -5.723 -3.330 1.00 0.00 N ATOM 913 CA PHE A 57 -8.626 -6.255 -4.018 1.00 0.00 C ATOM 914 C PHE A 57 -7.348 -5.554 -3.558 1.00 0.00 C ATOM 915 O PHE A 57 -7.378 -4.407 -3.114 1.00 0.00 O ATOM 916 CB PHE A 57 -8.807 -6.120 -5.536 1.00 0.00 C ATOM 917 CG PHE A 57 -9.831 -7.071 -6.107 1.00 0.00 C ATOM 918 CD1 PHE A 57 -9.561 -8.429 -6.156 1.00 0.00 C ATOM 919 CD2 PHE A 57 -11.054 -6.618 -6.597 1.00 0.00 C ATOM 920 CE1 PHE A 57 -10.480 -9.319 -6.677 1.00 0.00 C ATOM 921 CE2 PHE A 57 -11.975 -7.509 -7.121 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.688 -8.859 -7.158 1.00 0.00 C ATOM 0 H PHE A 57 -9.929 -4.720 -3.453 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.531 -7.312 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.103 -5.097 -5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.849 -6.294 -6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.618 -8.797 -5.781 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.285 -5.563 -6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.253 -10.374 -6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.919 -7.148 -7.501 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.409 -9.554 -7.563 1.00 0.00 H new ATOM 932 N GLU A 58 -6.230 -6.256 -3.649 1.00 0.00 N ATOM 933 CA GLU A 58 -4.945 -5.715 -3.239 1.00 0.00 C ATOM 934 C GLU A 58 -4.114 -5.382 -4.463 1.00 0.00 C ATOM 935 O GLU A 58 -3.942 -6.223 -5.343 1.00 0.00 O ATOM 936 CB GLU A 58 -4.185 -6.731 -2.385 1.00 0.00 C ATOM 937 CG GLU A 58 -4.924 -7.180 -1.138 1.00 0.00 C ATOM 938 CD GLU A 58 -4.195 -8.291 -0.411 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.185 -8.001 0.264 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.634 -9.459 -0.503 1.00 0.00 O ATOM 0 H GLU A 58 -6.188 -7.210 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.122 -4.813 -2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.962 -7.606 -2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.230 -6.297 -2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.051 -6.331 -0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.922 -7.521 -1.412 1.00 0.00 H new ATOM 947 N ALA A 59 -3.603 -4.166 -4.526 1.00 0.00 N ATOM 948 CA ALA A 59 -2.755 -3.770 -5.634 1.00 0.00 C ATOM 949 C ALA A 59 -1.319 -3.617 -5.159 1.00 0.00 C ATOM 950 O ALA A 59 -0.991 -2.682 -4.421 1.00 0.00 O ATOM 951 CB ALA A 59 -3.253 -2.482 -6.270 1.00 0.00 C ATOM 0 H ALA A 59 -3.759 -3.440 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.792 -4.550 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.599 -2.208 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.267 -2.628 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.251 -1.685 -5.527 1.00 0.00 H new ATOM 957 N ARG A 60 -0.473 -4.551 -5.554 1.00 0.00 N ATOM 958 CA ARG A 60 0.922 -4.510 -5.170 1.00 0.00 C ATOM 959 C ARG A 60 1.783 -4.188 -6.382 1.00 0.00 C ATOM 960 O ARG A 60 1.837 -4.955 -7.345 1.00 0.00 O ATOM 961 CB ARG A 60 1.340 -5.838 -4.545 1.00 0.00 C ATOM 962 CG ARG A 60 2.645 -5.756 -3.776 1.00 0.00 C ATOM 963 CD ARG A 60 2.992 -7.085 -3.135 1.00 0.00 C ATOM 964 NE ARG A 60 1.958 -7.540 -2.210 1.00 0.00 N ATOM 965 CZ ARG A 60 1.748 -8.819 -1.916 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.457 -9.765 -2.522 1.00 0.00 N ATOM 967 NH2 ARG A 60 0.813 -9.151 -1.037 1.00 0.00 N ATOM 0 H ARG A 60 -0.729 -5.346 -6.140 1.00 0.00 H new ATOM 0 HA ARG A 60 1.063 -3.726 -4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.552 -6.180 -3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.436 -6.587 -5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.448 -5.454 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.568 -4.988 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.136 -7.835 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.938 -6.993 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 60 1.365 -6.839 -1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.163 -9.510 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.296 -10.747 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.255 -8.425 -0.587 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.651 -10.132 -0.811 1.00 0.00 H new ATOM 981 N LEU A 61 2.435 -3.040 -6.330 1.00 0.00 N ATOM 982 CA LEU A 61 3.238 -2.554 -7.438 1.00 0.00 C ATOM 983 C LEU A 61 4.720 -2.684 -7.122 1.00 0.00 C ATOM 984 O LEU A 61 5.259 -1.940 -6.297 1.00 0.00 O ATOM 985 CB LEU A 61 2.903 -1.087 -7.724 1.00 0.00 C ATOM 986 CG LEU A 61 1.426 -0.792 -7.986 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.202 0.701 -8.153 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.941 -1.540 -9.215 1.00 0.00 C ATOM 0 H LEU A 61 2.423 -2.420 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 61 3.011 -3.157 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.232 -0.485 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.480 -0.762 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 61 0.852 -1.134 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.145 0.892 -8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.510 1.219 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.790 1.065 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.112 -1.317 -9.385 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.522 -1.229 -10.083 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.065 -2.612 -9.061 1.00 0.00 H new ATOM 1000 N TYR A 62 5.375 -3.637 -7.760 1.00 0.00 N ATOM 1001 CA TYR A 62 6.809 -3.799 -7.596 1.00 0.00 C ATOM 1002 C TYR A 62 7.535 -2.879 -8.561 1.00 0.00 C ATOM 1003 O TYR A 62 7.731 -3.223 -9.728 1.00 0.00 O ATOM 1004 CB TYR A 62 7.250 -5.240 -7.861 1.00 0.00 C ATOM 1005 CG TYR A 62 6.545 -6.288 -7.035 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.183 -6.901 -5.965 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.247 -6.678 -7.335 1.00 0.00 C ATOM 1008 CE1 TYR A 62 6.546 -7.872 -5.219 1.00 0.00 C ATOM 1009 CE2 TYR A 62 4.604 -7.642 -6.594 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.255 -8.239 -5.539 1.00 0.00 C ATOM 1011 OH TYR A 62 4.610 -9.206 -4.803 1.00 0.00 O ATOM 0 H TYR A 62 4.940 -4.308 -8.394 1.00 0.00 H new ATOM 0 HA TYR A 62 7.056 -3.548 -6.564 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.091 -5.464 -8.916 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.322 -5.315 -7.677 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.193 -6.614 -5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.733 -6.216 -8.165 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.055 -8.342 -4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.592 -7.929 -6.839 1.00 0.00 H new ATOM 0 HH TYR A 62 3.998 -9.705 -5.383 1.00 0.00 H new ATOM 1021 N LEU A 63 7.912 -1.704 -8.085 1.00 0.00 N ATOM 1022 CA LEU A 63 8.662 -0.768 -8.905 1.00 0.00 C ATOM 1023 C LEU A 63 10.110 -1.221 -8.924 1.00 0.00 C ATOM 1024 O LEU A 63 10.883 -0.910 -9.833 1.00 0.00 O ATOM 1025 CB LEU A 63 8.537 0.648 -8.343 1.00 0.00 C ATOM 1026 CG LEU A 63 9.022 1.759 -9.272 1.00 0.00 C ATOM 1027 CD1 LEU A 63 8.224 1.748 -10.569 1.00 0.00 C ATOM 1028 CD2 LEU A 63 8.914 3.110 -8.579 1.00 0.00 C ATOM 0 H LEU A 63 7.712 -1.377 -7.140 1.00 0.00 H new ATOM 0 HA LEU A 63 8.268 -0.750 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.492 0.833 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.100 0.703 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 63 10.070 1.583 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.580 2.545 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.352 0.787 -11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.168 1.905 -10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.263 3.893 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.875 3.299 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.527 3.107 -7.678 1.00 0.00 H new ATOM 1040 N GLY A 64 10.445 -1.966 -7.888 1.00 0.00 N ATOM 1041 CA GLY A 64 11.717 -2.623 -7.781 1.00 0.00 C ATOM 1042 C GLY A 64 11.682 -3.593 -6.629 1.00 0.00 C ATOM 1043 O GLY A 64 10.742 -3.558 -5.836 1.00 0.00 O ATOM 0 H GLY A 64 9.828 -2.129 -7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.946 -3.149 -8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.507 -1.888 -7.628 1.00 0.00 H new ATOM 1047 N LEU A 65 12.668 -4.463 -6.532 1.00 0.00 N ATOM 1048 CA LEU A 65 12.725 -5.412 -5.429 1.00 0.00 C ATOM 1049 C LEU A 65 12.715 -4.683 -4.088 1.00 0.00 C ATOM 1050 O LEU A 65 12.022 -5.083 -3.153 1.00 0.00 O ATOM 1051 CB LEU A 65 13.972 -6.289 -5.550 1.00 0.00 C ATOM 1052 CG LEU A 65 14.036 -7.141 -6.820 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.336 -7.925 -6.872 1.00 0.00 C ATOM 1054 CD2 LEU A 65 12.843 -8.085 -6.890 1.00 0.00 C ATOM 0 H LEU A 65 13.438 -4.535 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 65 11.842 -6.050 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.854 -5.649 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.021 -6.949 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 65 14.001 -6.475 -7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.363 -8.525 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.178 -7.233 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.401 -8.580 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.905 -8.683 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.849 -8.744 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.920 -7.505 -6.899 1.00 0.00 H new ATOM 1066 N ASP A 66 13.460 -3.592 -4.015 1.00 0.00 N ATOM 1067 CA ASP A 66 13.554 -2.804 -2.791 1.00 0.00 C ATOM 1068 C ASP A 66 12.548 -1.655 -2.787 1.00 0.00 C ATOM 1069 O ASP A 66 12.368 -0.984 -1.769 1.00 0.00 O ATOM 1070 CB ASP A 66 14.976 -2.253 -2.628 1.00 0.00 C ATOM 1071 CG ASP A 66 15.350 -1.265 -3.717 1.00 0.00 C ATOM 1072 OD1 ASP A 66 15.365 -1.658 -4.902 1.00 0.00 O ATOM 1073 OD2 ASP A 66 15.650 -0.095 -3.396 1.00 0.00 O ATOM 0 H ASP A 66 14.012 -3.228 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 66 13.320 -3.460 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.064 -1.767 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.685 -3.081 -2.635 1.00 0.00 H new ATOM 1078 N VAL A 67 11.883 -1.439 -3.917 1.00 0.00 N ATOM 1079 CA VAL A 67 10.926 -0.347 -4.041 1.00 0.00 C ATOM 1080 C VAL A 67 9.519 -0.901 -4.236 1.00 0.00 C ATOM 1081 O VAL A 67 9.099 -1.192 -5.361 1.00 0.00 O ATOM 1082 CB VAL A 67 11.272 0.593 -5.215 1.00 0.00 C ATOM 1083 CG1 VAL A 67 10.345 1.801 -5.231 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.724 1.038 -5.141 1.00 0.00 C ATOM 0 H VAL A 67 11.989 -2.005 -4.759 1.00 0.00 H new ATOM 0 HA VAL A 67 10.974 0.231 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 67 11.130 0.039 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.607 2.450 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.313 1.467 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.450 2.353 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.945 1.700 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.895 1.569 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.375 0.165 -5.187 1.00 0.00 H new ATOM 1094 N LEU A 68 8.799 -1.062 -3.140 1.00 0.00 N ATOM 1095 CA LEU A 68 7.476 -1.657 -3.188 1.00 0.00 C ATOM 1096 C LEU A 68 6.394 -0.623 -2.902 1.00 0.00 C ATOM 1097 O LEU A 68 6.409 0.041 -1.866 1.00 0.00 O ATOM 1098 CB LEU A 68 7.379 -2.810 -2.184 1.00 0.00 C ATOM 1099 CG LEU A 68 6.060 -3.585 -2.205 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.873 -4.286 -3.541 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.014 -4.586 -1.061 1.00 0.00 C ATOM 0 H LEU A 68 9.108 -0.789 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 68 7.317 -2.043 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.194 -3.507 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.531 -2.411 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 68 5.241 -2.877 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.929 -4.832 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.861 -3.546 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.695 -4.983 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.069 -5.129 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.840 -5.290 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.099 -4.058 -0.111 1.00 0.00 H new ATOM 1113 N ILE A 69 5.472 -0.479 -3.838 1.00 0.00 N ATOM 1114 CA ILE A 69 4.308 0.368 -3.643 1.00 0.00 C ATOM 1115 C ILE A 69 3.094 -0.516 -3.358 1.00 0.00 C ATOM 1116 O ILE A 69 2.873 -1.509 -4.042 1.00 0.00 O ATOM 1117 CB ILE A 69 4.043 1.256 -4.883 1.00 0.00 C ATOM 1118 CG1 ILE A 69 5.297 2.066 -5.233 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.867 2.191 -4.634 1.00 0.00 C ATOM 1120 CD1 ILE A 69 5.147 2.924 -6.475 1.00 0.00 C ATOM 0 H ILE A 69 5.508 -0.941 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 69 4.493 1.031 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 69 3.796 0.607 -5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.551 2.707 -4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.132 1.381 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.698 2.806 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.973 1.604 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.087 2.834 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.075 3.466 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.924 2.288 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.334 3.635 -6.330 1.00 0.00 H new ATOM 1132 N ARG A 70 2.328 -0.178 -2.335 1.00 0.00 N ATOM 1133 CA ARG A 70 1.198 -1.007 -1.931 1.00 0.00 C ATOM 1134 C ARG A 70 -0.035 -0.158 -1.654 1.00 0.00 C ATOM 1135 O ARG A 70 0.070 0.957 -1.139 1.00 0.00 O ATOM 1136 CB ARG A 70 1.554 -1.836 -0.696 1.00 0.00 C ATOM 1137 CG ARG A 70 2.115 -1.020 0.457 1.00 0.00 C ATOM 1138 CD ARG A 70 1.954 -1.752 1.779 1.00 0.00 C ATOM 1139 NE ARG A 70 0.543 -1.922 2.122 1.00 0.00 N ATOM 1140 CZ ARG A 70 0.087 -2.084 3.361 1.00 0.00 C ATOM 1141 NH1 ARG A 70 0.930 -2.204 4.378 1.00 0.00 N ATOM 1142 NH2 ARG A 70 -1.216 -2.145 3.578 1.00 0.00 N ATOM 0 H ARG A 70 2.464 0.660 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 70 0.969 -1.683 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.662 -2.362 -0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.283 -2.595 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.170 -0.813 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.605 -0.058 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.436 -2.728 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.458 -1.196 2.569 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.136 -1.916 1.361 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.936 -2.172 4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.572 -2.328 5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.867 -2.068 2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.570 -2.269 4.527 1.00 0.00 H new ATOM 1156 N MET A 71 -1.202 -0.687 -2.006 1.00 0.00 N ATOM 1157 CA MET A 71 -2.451 0.037 -1.826 1.00 0.00 C ATOM 1158 C MET A 71 -3.645 -0.918 -1.795 1.00 0.00 C ATOM 1159 O MET A 71 -3.806 -1.763 -2.679 1.00 0.00 O ATOM 1160 CB MET A 71 -2.615 1.070 -2.949 1.00 0.00 C ATOM 1161 CG MET A 71 -2.480 0.478 -4.344 1.00 0.00 C ATOM 1162 SD MET A 71 -2.324 1.726 -5.636 1.00 0.00 S ATOM 1163 CE MET A 71 -3.916 2.530 -5.520 1.00 0.00 C ATOM 0 H MET A 71 -1.307 -1.614 -2.417 1.00 0.00 H new ATOM 0 HA MET A 71 -2.418 0.553 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.593 1.543 -2.857 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.869 1.854 -2.822 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.607 -0.174 -4.371 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.350 -0.144 -4.553 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.372 2.579 -6.509 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.562 1.962 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.786 3.539 -5.130 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.470 -0.791 -0.762 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.698 -1.567 -0.664 1.00 0.00 C ATOM 1175 C GLU A 72 -6.814 -0.863 -1.425 1.00 0.00 C ATOM 1176 O GLU A 72 -7.108 0.313 -1.174 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.120 -1.774 0.795 1.00 0.00 C ATOM 1178 CG GLU A 72 -5.174 -2.647 1.610 1.00 0.00 C ATOM 1179 CD GLU A 72 -3.985 -1.889 2.163 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -4.104 -1.314 3.266 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -2.920 -1.881 1.515 1.00 0.00 O ATOM 0 H GLU A 72 -4.309 -0.156 0.020 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.511 -2.547 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.202 -0.800 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.113 -2.223 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.726 -3.096 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.816 -3.465 0.984 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.436 -1.578 -2.347 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.450 -0.996 -3.214 1.00 0.00 C ATOM 1190 C ILE A 73 -9.687 -1.886 -3.271 1.00 0.00 C ATOM 1191 O ILE A 73 -9.694 -2.990 -2.734 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.904 -0.795 -4.650 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.409 -2.128 -5.222 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.789 0.241 -4.663 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.820 -2.024 -6.612 1.00 0.00 C ATOM 0 H ILE A 73 -7.256 -2.568 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.720 -0.026 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.715 -0.427 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.657 -2.542 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.240 -2.833 -5.243 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.420 0.366 -5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.173 1.193 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.974 -0.093 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.494 -3.010 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.575 -1.641 -7.299 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.967 -1.346 -6.596 1.00 0.00 H new ATOM 1207 N SER A 74 -10.735 -1.392 -3.898 1.00 0.00 N ATOM 1208 CA SER A 74 -11.916 -2.200 -4.162 1.00 0.00 C ATOM 1209 C SER A 74 -12.346 -2.042 -5.609 1.00 0.00 C ATOM 1210 O SER A 74 -12.170 -0.978 -6.204 1.00 0.00 O ATOM 1211 CB SER A 74 -13.061 -1.824 -3.220 1.00 0.00 C ATOM 1212 OG SER A 74 -12.766 -2.218 -1.894 1.00 0.00 O ATOM 0 H SER A 74 -10.796 -0.432 -4.237 1.00 0.00 H new ATOM 0 HA SER A 74 -11.662 -3.245 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.230 -0.748 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.983 -2.303 -3.551 1.00 0.00 H new ATOM 0 HG SER A 74 -11.876 -2.626 -1.864 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.886 -3.105 -6.179 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.334 -3.083 -7.558 1.00 0.00 C ATOM 1220 C LEU A 75 -14.564 -2.195 -7.703 1.00 0.00 C ATOM 1221 O LEU A 75 -15.626 -2.504 -7.170 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.641 -4.507 -8.028 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.158 -4.625 -9.459 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -13.136 -4.088 -10.449 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.508 -6.070 -9.776 1.00 0.00 C ATOM 0 H LEU A 75 -13.025 -3.997 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.540 -2.671 -8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.735 -5.105 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.380 -4.942 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.062 -4.023 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.526 -4.183 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.937 -3.038 -10.233 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.211 -4.658 -10.362 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.875 -6.139 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.620 -6.692 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.280 -6.416 -9.089 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.409 -1.081 -8.405 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.512 -0.160 -8.609 1.00 0.00 C ATOM 1239 C ALA A 76 -16.322 -0.563 -9.833 1.00 0.00 C ATOM 1240 O ALA A 76 -17.546 -0.666 -9.767 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.004 1.268 -8.742 1.00 0.00 C ATOM 0 H ALA A 76 -13.532 -0.796 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.164 -0.206 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.847 1.942 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.473 1.551 -7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.327 1.336 -9.594 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.637 -0.797 -10.947 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.303 -1.221 -12.171 1.00 0.00 C ATOM 1249 C TRP A 77 -15.350 -1.974 -13.096 1.00 0.00 C ATOM 1250 O TRP A 77 -14.175 -1.633 -13.205 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.915 -0.016 -12.904 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.947 1.098 -13.208 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.650 2.170 -12.412 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -15.165 1.258 -14.400 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.737 2.986 -13.038 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.420 2.444 -14.256 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -15.019 0.511 -15.576 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.546 2.899 -15.241 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.152 0.965 -16.551 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.425 2.148 -16.378 1.00 0.00 C ATOM 0 H TRP A 77 -14.625 -0.700 -11.027 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.104 -1.903 -11.887 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.354 -0.363 -13.840 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.729 0.384 -12.299 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -16.071 2.350 -11.434 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.358 3.853 -12.658 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.575 -0.404 -15.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.984 3.812 -15.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -14.033 0.397 -17.462 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.754 2.475 -17.159 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.866 -3.012 -13.737 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.136 -3.739 -14.763 1.00 0.00 C ATOM 1273 C ALA A 78 -15.913 -3.670 -16.070 1.00 0.00 C ATOM 1274 O ALA A 78 -17.078 -4.074 -16.126 1.00 0.00 O ATOM 1275 CB ALA A 78 -14.922 -5.185 -14.338 1.00 0.00 C ATOM 0 H ALA A 78 -16.803 -3.374 -13.560 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.156 -3.284 -14.905 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.374 -5.716 -15.117 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.350 -5.211 -13.410 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.888 -5.665 -14.182 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.286 -3.148 -17.115 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.992 -2.887 -18.359 1.00 0.00 C ATOM 1283 C ARG A 79 -15.060 -2.986 -19.570 1.00 0.00 C ATOM 1284 O ARG A 79 -14.130 -2.190 -19.715 1.00 0.00 O ATOM 1285 CB ARG A 79 -16.630 -1.497 -18.277 1.00 0.00 C ATOM 1286 CG ARG A 79 -17.436 -1.093 -19.496 1.00 0.00 C ATOM 1287 CD ARG A 79 -18.056 0.281 -19.300 1.00 0.00 C ATOM 1288 NE ARG A 79 -18.691 0.779 -20.518 1.00 0.00 N ATOM 1289 CZ ARG A 79 -19.208 2.000 -20.646 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -19.238 2.829 -19.607 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -19.702 2.392 -21.814 1.00 0.00 N ATOM 0 H ARG A 79 -14.297 -2.899 -17.126 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.765 -3.644 -18.494 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.279 -1.462 -17.402 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.842 -0.760 -18.119 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.794 -1.085 -20.376 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -18.220 -1.828 -19.680 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.795 0.233 -18.500 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.286 0.983 -18.981 1.00 0.00 H new ATOM 0 HE ARG A 79 -18.742 0.152 -21.321 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.864 2.531 -18.706 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.635 3.763 -19.711 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -19.686 1.758 -22.613 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -20.098 3.327 -21.912 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.306 -3.993 -20.414 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.601 -4.157 -21.698 1.00 0.00 C ATOM 1307 C ASP A 80 -13.120 -4.459 -21.511 1.00 0.00 C ATOM 1308 O ASP A 80 -12.308 -4.171 -22.391 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.754 -2.912 -22.582 1.00 0.00 C ATOM 1310 CG ASP A 80 -16.141 -2.764 -23.169 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -16.921 -1.932 -22.669 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -16.458 -3.472 -24.145 1.00 0.00 O ATOM 0 H ASP A 80 -15.998 -4.719 -20.230 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.066 -5.011 -22.191 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -14.519 -2.025 -21.993 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.027 -2.958 -23.392 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.769 -5.051 -20.382 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.383 -5.389 -20.134 1.00 0.00 C ATOM 1319 C GLY A 81 -10.673 -4.326 -19.322 1.00 0.00 C ATOM 1320 O GLY A 81 -9.553 -4.534 -18.852 1.00 0.00 O ATOM 0 H GLY A 81 -13.415 -5.303 -19.634 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.332 -6.342 -19.607 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.867 -5.523 -21.085 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.321 -3.181 -19.171 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.800 -2.116 -18.331 1.00 0.00 C ATOM 1326 C LEU A 82 -11.445 -2.190 -16.963 1.00 0.00 C ATOM 1327 O LEU A 82 -12.671 -2.150 -16.838 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.058 -0.745 -18.956 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.284 -0.457 -20.241 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.616 0.935 -20.755 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.787 -0.594 -20.006 1.00 0.00 C ATOM 0 H LEU A 82 -12.211 -2.966 -19.621 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.722 -2.246 -18.237 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.124 -0.654 -19.165 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.811 0.023 -18.223 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.581 -1.187 -20.994 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.058 1.127 -21.671 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.684 1.002 -20.960 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.344 1.675 -20.002 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.253 -0.385 -20.933 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.473 0.113 -19.239 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.562 -1.609 -19.678 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.627 -2.320 -15.939 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.136 -2.417 -14.589 1.00 0.00 C ATOM 1345 C LEU A 83 -10.693 -1.220 -13.771 1.00 0.00 C ATOM 1346 O LEU A 83 -9.501 -1.021 -13.529 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.691 -3.719 -13.919 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.203 -5.003 -14.580 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.297 -5.432 -15.728 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.333 -6.112 -13.550 1.00 0.00 C ATOM 0 H LEU A 83 -9.611 -2.361 -16.016 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.225 -2.424 -14.640 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.601 -3.747 -13.904 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.024 -3.707 -12.881 1.00 0.00 H new ATOM 0 HG LEU A 83 -12.189 -4.800 -14.997 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.686 -6.346 -16.177 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.264 -4.644 -16.480 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.291 -5.614 -15.349 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.698 -7.018 -14.035 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.359 -6.308 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.036 -5.808 -12.774 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.663 -0.418 -13.371 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.387 0.741 -12.560 1.00 0.00 C ATOM 1364 C GLY A 84 -11.654 0.463 -11.102 1.00 0.00 C ATOM 1365 O GLY A 84 -12.790 0.193 -10.708 1.00 0.00 O ATOM 0 H GLY A 84 -12.648 -0.553 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.347 1.041 -12.691 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.004 1.576 -12.893 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.604 0.494 -10.308 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.719 0.255 -8.884 1.00 0.00 C ATOM 1371 C PHE A 85 -10.731 1.575 -8.136 1.00 0.00 C ATOM 1372 O PHE A 85 -10.180 2.567 -8.610 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.556 -0.603 -8.384 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.498 -1.974 -8.991 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.949 -2.167 -10.247 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.980 -3.071 -8.298 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.885 -3.428 -10.801 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.919 -4.335 -8.849 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.371 -4.513 -10.103 1.00 0.00 C ATOM 0 H PHE A 85 -9.654 0.684 -10.628 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.653 -0.277 -8.701 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.620 -0.085 -8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.630 -0.700 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.567 -1.321 -10.799 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.408 -2.936 -7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.454 -3.566 -11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.300 -5.183 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.323 -5.501 -10.537 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.361 1.581 -6.978 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.383 2.758 -6.134 1.00 0.00 C ATOM 1391 C GLU A 86 -10.416 2.571 -4.973 1.00 0.00 C ATOM 1392 O GLU A 86 -10.372 1.502 -4.355 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.796 3.022 -5.616 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.903 4.277 -4.765 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.317 4.556 -4.308 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.808 3.836 -3.415 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.939 5.505 -4.830 1.00 0.00 O ATOM 0 H GLU A 86 -11.866 0.780 -6.599 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.072 3.622 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.476 3.108 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.126 2.165 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.257 4.175 -3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.535 5.130 -5.336 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.636 3.601 -4.696 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.636 3.539 -3.646 1.00 0.00 C ATOM 1406 C CYS A 87 -9.283 3.655 -2.269 1.00 0.00 C ATOM 1407 O CYS A 87 -10.137 4.510 -2.040 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.596 4.644 -3.847 1.00 0.00 C ATOM 1409 SG CYS A 87 -6.645 4.487 -5.375 1.00 0.00 S ATOM 0 H CYS A 87 -9.677 4.494 -5.187 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.137 2.572 -3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.101 5.610 -3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.909 4.640 -3.001 1.00 0.00 H new ATOM 0 HG CYS A 87 -5.953 5.570 -5.569 1.00 0.00 H new ATOM 1415 N GLN A 88 -8.886 2.768 -1.366 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.380 2.801 0.003 1.00 0.00 C ATOM 1417 C GLN A 88 -8.265 3.180 0.962 1.00 0.00 C ATOM 1418 O GLN A 88 -8.395 4.119 1.746 1.00 0.00 O ATOM 1419 CB GLN A 88 -9.956 1.445 0.409 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.294 1.131 -0.232 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.805 -0.247 0.130 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -10.898 -1.194 0.307 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -13.010 -0.466 0.232 1.00 0.00 N flip ATOM 0 H GLN A 88 -8.223 2.017 -1.558 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.170 3.550 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.244 0.664 0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.068 1.418 1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.025 1.878 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.200 1.206 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.680 0.290 0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.340 -1.404 0.460 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.164 2.451 0.892 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.056 2.676 1.801 1.00 0.00 C ATOM 1434 C HIS A 89 -4.725 2.575 1.077 1.00 0.00 C ATOM 1435 O HIS A 89 -4.220 1.481 0.843 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.104 1.665 2.951 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.110 1.930 4.045 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.468 2.466 5.261 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -3.772 1.724 4.108 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.396 2.580 6.023 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.353 2.137 5.346 1.00 0.00 N ATOM 0 H HIS A 89 -7.015 1.701 0.217 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.149 3.684 2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.107 1.665 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.929 0.667 2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.151 1.311 3.327 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.376 2.970 7.030 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.393 2.107 5.688 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.167 3.710 0.707 1.00 0.00 N ATOM 1451 CA ILE A 90 -2.827 3.741 0.155 1.00 0.00 C ATOM 1452 C ILE A 90 -1.862 4.108 1.266 1.00 0.00 C ATOM 1453 O ILE A 90 -2.049 5.120 1.941 1.00 0.00 O ATOM 1454 CB ILE A 90 -2.696 4.752 -1.005 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -3.829 4.558 -2.015 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.345 4.588 -1.689 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -3.832 5.581 -3.130 1.00 0.00 C ATOM 0 H ILE A 90 -4.619 4.622 0.778 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.598 2.756 -0.252 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.766 5.761 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.750 3.561 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.783 4.603 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.261 5.305 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.548 4.766 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.258 3.576 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.663 5.380 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.942 6.580 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.893 5.522 -3.681 1.00 0.00 H new ATOM 1469 N ASP A 91 -0.860 3.268 1.485 1.00 0.00 N ATOM 1470 CA ASP A 91 0.085 3.480 2.578 1.00 0.00 C ATOM 1471 C ASP A 91 0.829 4.803 2.413 1.00 0.00 C ATOM 1472 O ASP A 91 1.090 5.242 1.295 1.00 0.00 O ATOM 1473 CB ASP A 91 1.080 2.321 2.663 1.00 0.00 C ATOM 1474 CG ASP A 91 2.118 2.540 3.742 1.00 0.00 C ATOM 1475 OD1 ASP A 91 3.267 2.879 3.401 1.00 0.00 O ATOM 1476 OD2 ASP A 91 1.777 2.406 4.934 1.00 0.00 O ATOM 0 H ASP A 91 -0.679 2.436 0.924 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.484 3.522 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.541 1.395 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.578 2.200 1.701 1.00 0.00 H new ATOM 1481 N LEU A 92 1.161 5.430 3.535 1.00 0.00 N ATOM 1482 CA LEU A 92 1.818 6.734 3.533 1.00 0.00 C ATOM 1483 C LEU A 92 3.151 6.679 2.799 1.00 0.00 C ATOM 1484 O LEU A 92 3.459 7.548 1.983 1.00 0.00 O ATOM 1485 CB LEU A 92 2.044 7.212 4.967 1.00 0.00 C ATOM 1486 CG LEU A 92 0.776 7.355 5.810 1.00 0.00 C ATOM 1487 CD1 LEU A 92 1.124 7.735 7.241 1.00 0.00 C ATOM 1488 CD2 LEU A 92 -0.160 8.385 5.196 1.00 0.00 C ATOM 0 H LEU A 92 0.985 5.053 4.466 1.00 0.00 H new ATOM 0 HA LEU A 92 1.166 7.435 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.716 6.513 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.552 8.176 4.937 1.00 0.00 H new ATOM 0 HG LEU A 92 0.265 6.392 5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.209 7.832 7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.754 6.961 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.659 8.684 7.245 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.057 8.473 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.343 9.351 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.438 8.070 4.190 1.00 0.00 H new ATOM 1500 N ASP A 93 3.932 5.646 3.083 1.00 0.00 N ATOM 1501 CA ASP A 93 5.234 5.477 2.453 1.00 0.00 C ATOM 1502 C ASP A 93 5.043 5.140 0.980 1.00 0.00 C ATOM 1503 O ASP A 93 5.807 5.583 0.121 1.00 0.00 O ATOM 1504 CB ASP A 93 6.025 4.378 3.165 1.00 0.00 C ATOM 1505 CG ASP A 93 7.418 4.192 2.599 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.676 3.139 1.976 1.00 0.00 O ATOM 1507 OD2 ASP A 93 8.263 5.092 2.779 1.00 0.00 O ATOM 0 H ASP A 93 3.686 4.911 3.747 1.00 0.00 H new ATOM 0 HA ASP A 93 5.800 6.405 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.099 4.619 4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.479 3.438 3.089 1.00 0.00 H new ATOM 1512 N SER A 94 3.997 4.373 0.704 1.00 0.00 N ATOM 1513 CA SER A 94 3.592 4.051 -0.654 1.00 0.00 C ATOM 1514 C SER A 94 3.315 5.332 -1.447 1.00 0.00 C ATOM 1515 O SER A 94 3.857 5.525 -2.538 1.00 0.00 O ATOM 1516 CB SER A 94 2.345 3.164 -0.599 1.00 0.00 C ATOM 1517 OG SER A 94 1.951 2.734 -1.881 1.00 0.00 O ATOM 0 H SER A 94 3.404 3.955 1.421 1.00 0.00 H new ATOM 0 HA SER A 94 4.394 3.515 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.544 2.296 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.528 3.715 -0.133 1.00 0.00 H new ATOM 0 HG SER A 94 1.109 2.236 -1.815 1.00 0.00 H new ATOM 1523 N ILE A 95 2.492 6.215 -0.875 1.00 0.00 N ATOM 1524 CA ILE A 95 2.198 7.510 -1.489 1.00 0.00 C ATOM 1525 C ILE A 95 3.478 8.319 -1.657 1.00 0.00 C ATOM 1526 O ILE A 95 3.675 8.992 -2.670 1.00 0.00 O ATOM 1527 CB ILE A 95 1.197 8.332 -0.643 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.124 7.578 -0.493 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.958 9.702 -1.271 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.120 8.261 0.421 1.00 0.00 C ATOM 0 H ILE A 95 2.017 6.055 0.014 1.00 0.00 H new ATOM 0 HA ILE A 95 1.750 7.309 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 95 1.628 8.478 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.575 7.455 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.081 6.579 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.251 10.264 -0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.901 10.246 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.551 9.576 -2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.031 7.665 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.690 8.360 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.356 9.250 0.028 1.00 0.00 H new ATOM 1542 N SER A 96 4.345 8.240 -0.657 1.00 0.00 N ATOM 1543 CA SER A 96 5.614 8.951 -0.681 1.00 0.00 C ATOM 1544 C SER A 96 6.455 8.527 -1.890 1.00 0.00 C ATOM 1545 O SER A 96 7.090 9.361 -2.531 1.00 0.00 O ATOM 1546 CB SER A 96 6.374 8.709 0.628 1.00 0.00 C ATOM 1547 OG SER A 96 5.624 9.169 1.742 1.00 0.00 O ATOM 0 H SER A 96 4.190 7.687 0.186 1.00 0.00 H new ATOM 0 HA SER A 96 5.415 10.018 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.584 7.645 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.335 9.222 0.595 1.00 0.00 H new ATOM 0 HG SER A 96 4.894 8.542 1.926 1.00 0.00 H new ATOM 1553 N HIS A 97 6.435 7.237 -2.217 1.00 0.00 N ATOM 1554 CA HIS A 97 7.153 6.742 -3.392 1.00 0.00 C ATOM 1555 C HIS A 97 6.466 7.209 -4.670 1.00 0.00 C ATOM 1556 O HIS A 97 7.114 7.710 -5.589 1.00 0.00 O ATOM 1557 CB HIS A 97 7.233 5.208 -3.406 1.00 0.00 C ATOM 1558 CG HIS A 97 7.929 4.608 -2.224 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.197 4.962 -1.832 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.515 3.673 -1.341 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.531 4.273 -0.759 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.526 3.481 -0.435 1.00 0.00 N ATOM 0 H HIS A 97 5.935 6.520 -1.691 1.00 0.00 H new ATOM 0 HA HIS A 97 8.165 7.145 -3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.221 4.805 -3.458 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.749 4.893 -4.313 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.560 3.168 -1.348 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.471 4.345 -0.232 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.505 2.836 0.355 1.00 0.00 H new ATOM 1571 N LEU A 98 5.146 7.042 -4.707 1.00 0.00 N ATOM 1572 CA LEU A 98 4.348 7.376 -5.884 1.00 0.00 C ATOM 1573 C LEU A 98 4.506 8.848 -6.265 1.00 0.00 C ATOM 1574 O LEU A 98 4.848 9.172 -7.403 1.00 0.00 O ATOM 1575 CB LEU A 98 2.870 7.065 -5.614 1.00 0.00 C ATOM 1576 CG LEU A 98 1.916 7.346 -6.776 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.222 6.433 -7.956 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.472 7.177 -6.330 1.00 0.00 C ATOM 0 H LEU A 98 4.602 6.674 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 98 4.705 6.771 -6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.782 6.014 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.546 7.647 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 98 2.060 8.378 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.532 6.649 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.245 6.603 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.108 5.393 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.194 7.381 -7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.316 6.156 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.258 7.873 -5.519 1.00 0.00 H new ATOM 1590 N ARG A 99 4.271 9.731 -5.303 1.00 0.00 N ATOM 1591 CA ARG A 99 4.331 11.167 -5.549 1.00 0.00 C ATOM 1592 C ARG A 99 5.755 11.610 -5.879 1.00 0.00 C ATOM 1593 O ARG A 99 5.956 12.473 -6.732 1.00 0.00 O ATOM 1594 CB ARG A 99 3.781 11.937 -4.342 1.00 0.00 C ATOM 1595 CG ARG A 99 3.910 13.449 -4.458 1.00 0.00 C ATOM 1596 CD ARG A 99 3.148 14.157 -3.348 1.00 0.00 C ATOM 1597 NE ARG A 99 1.713 14.253 -3.630 1.00 0.00 N ATOM 1598 CZ ARG A 99 0.758 14.038 -2.726 1.00 0.00 C ATOM 1599 NH1 ARG A 99 1.076 13.611 -1.509 1.00 0.00 N ATOM 1600 NH2 ARG A 99 -0.516 14.236 -3.047 1.00 0.00 N ATOM 0 H ARG A 99 4.037 9.478 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 99 3.708 11.392 -6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.729 11.682 -4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.304 11.606 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.962 13.730 -4.416 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.531 13.775 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.296 13.622 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.557 15.158 -3.212 1.00 0.00 H new ATOM 0 HE ARG A 99 1.427 14.500 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.053 13.447 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.343 13.447 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -0.762 14.552 -3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.248 14.072 -2.356 1.00 0.00 H new ATOM 1614 N ARG A 100 6.739 11.001 -5.222 1.00 0.00 N ATOM 1615 CA ARG A 100 8.139 11.315 -5.490 1.00 0.00 C ATOM 1616 C ARG A 100 8.513 10.951 -6.925 1.00 0.00 C ATOM 1617 O ARG A 100 9.249 11.683 -7.580 1.00 0.00 O ATOM 1618 CB ARG A 100 9.060 10.592 -4.500 1.00 0.00 C ATOM 1619 CG ARG A 100 10.547 10.729 -4.815 1.00 0.00 C ATOM 1620 CD ARG A 100 10.984 12.187 -4.911 1.00 0.00 C ATOM 1621 NE ARG A 100 10.837 12.899 -3.645 1.00 0.00 N ATOM 1622 CZ ARG A 100 11.860 13.407 -2.958 1.00 0.00 C ATOM 1623 NH1 ARG A 100 13.103 13.245 -3.400 1.00 0.00 N ATOM 1624 NH2 ARG A 100 11.644 14.068 -1.828 1.00 0.00 N ATOM 0 H ARG A 100 6.594 10.291 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 100 8.271 12.389 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.875 10.980 -3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.799 9.534 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.128 10.228 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.765 10.223 -5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.025 12.231 -5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.395 12.690 -5.678 1.00 0.00 H new ATOM 0 HE ARG A 100 9.898 13.014 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.274 12.732 -4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.886 13.634 -2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.692 14.189 -1.482 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.430 14.455 -1.305 1.00 0.00 H new ATOM 1638 N LEU A 101 8.002 9.829 -7.410 1.00 0.00 N ATOM 1639 CA LEU A 101 8.265 9.403 -8.779 1.00 0.00 C ATOM 1640 C LEU A 101 7.644 10.380 -9.777 1.00 0.00 C ATOM 1641 O LEU A 101 8.266 10.737 -10.780 1.00 0.00 O ATOM 1642 CB LEU A 101 7.729 7.988 -9.008 1.00 0.00 C ATOM 1643 CG LEU A 101 8.081 7.368 -10.362 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.591 7.305 -10.543 1.00 0.00 C ATOM 1645 CD2 LEU A 101 7.474 5.980 -10.479 1.00 0.00 C ATOM 0 H LEU A 101 7.404 9.197 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 101 9.344 9.395 -8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.112 7.340 -8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.644 8.007 -8.906 1.00 0.00 H new ATOM 0 HG LEU A 101 7.666 7.997 -11.150 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.823 6.861 -11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.005 8.312 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.027 6.696 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.732 5.550 -11.447 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.864 5.344 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.390 6.048 -10.390 1.00 0.00 H new ATOM 1657 N VAL A 102 6.423 10.823 -9.492 1.00 0.00 N ATOM 1658 CA VAL A 102 5.746 11.803 -10.337 1.00 0.00 C ATOM 1659 C VAL A 102 6.514 13.125 -10.339 1.00 0.00 C ATOM 1660 O VAL A 102 6.731 13.728 -11.390 1.00 0.00 O ATOM 1661 CB VAL A 102 4.296 12.054 -9.869 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.606 13.079 -10.756 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.506 10.753 -9.846 1.00 0.00 C ATOM 0 H VAL A 102 5.882 10.519 -8.683 1.00 0.00 H new ATOM 0 HA VAL A 102 5.715 11.394 -11.347 1.00 0.00 H new ATOM 0 HB VAL A 102 4.335 12.453 -8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.586 13.237 -10.404 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.153 14.021 -10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.583 12.715 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.487 10.952 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.484 10.323 -10.847 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.981 10.051 -9.161 1.00 0.00 H new ATOM 1673 N GLU A 103 6.932 13.547 -9.150 1.00 0.00 N ATOM 1674 CA GLU A 103 7.718 14.766 -8.980 1.00 0.00 C ATOM 1675 C GLU A 103 9.027 14.676 -9.764 1.00 0.00 C ATOM 1676 O GLU A 103 9.404 15.604 -10.480 1.00 0.00 O ATOM 1677 CB GLU A 103 8.016 14.974 -7.494 1.00 0.00 C ATOM 1678 CG GLU A 103 8.765 16.256 -7.180 1.00 0.00 C ATOM 1679 CD GLU A 103 9.206 16.326 -5.733 1.00 0.00 C ATOM 1680 OE1 GLU A 103 8.341 16.230 -4.836 1.00 0.00 O ATOM 1681 OE2 GLU A 103 10.417 16.484 -5.484 1.00 0.00 O ATOM 0 H GLU A 103 6.736 13.055 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 103 7.146 15.611 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.075 14.973 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.599 14.128 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.639 16.331 -7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.127 17.111 -7.405 1.00 0.00 H new ATOM 1688 N LEU A 104 9.692 13.535 -9.625 1.00 0.00 N ATOM 1689 CA LEU A 104 10.981 13.280 -10.258 1.00 0.00 C ATOM 1690 C LEU A 104 10.881 13.441 -11.774 1.00 0.00 C ATOM 1691 O LEU A 104 11.721 14.093 -12.397 1.00 0.00 O ATOM 1692 CB LEU A 104 11.435 11.858 -9.889 1.00 0.00 C ATOM 1693 CG LEU A 104 12.918 11.525 -10.101 1.00 0.00 C ATOM 1694 CD1 LEU A 104 13.285 10.290 -9.295 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.229 11.289 -11.573 1.00 0.00 C ATOM 0 H LEU A 104 9.349 12.754 -9.065 1.00 0.00 H new ATOM 0 HA LEU A 104 11.714 14.003 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.196 11.687 -8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.842 11.151 -10.470 1.00 0.00 H new ATOM 0 HG LEU A 104 13.509 12.376 -9.763 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.339 10.056 -9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.105 10.479 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 104 12.675 9.448 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.287 11.056 -11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.631 10.456 -11.942 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.991 12.187 -12.144 1.00 0.00 H new ATOM 1707 N ASN A 105 9.838 12.862 -12.354 1.00 0.00 N ATOM 1708 CA ASN A 105 9.649 12.891 -13.802 1.00 0.00 C ATOM 1709 C ASN A 105 9.047 14.215 -14.251 1.00 0.00 C ATOM 1710 O ASN A 105 9.106 14.558 -15.436 1.00 0.00 O ATOM 1711 CB ASN A 105 8.737 11.741 -14.245 1.00 0.00 C ATOM 1712 CG ASN A 105 9.365 10.372 -14.054 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.581 10.212 -14.142 1.00 0.00 O ATOM 1714 ND2 ASN A 105 8.538 9.373 -13.790 1.00 0.00 N ATOM 0 H ASN A 105 9.107 12.365 -11.844 1.00 0.00 H new ATOM 0 HA ASN A 105 10.629 12.777 -14.266 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.805 11.788 -13.682 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.481 11.873 -15.296 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.904 8.431 -13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.535 9.545 -13.725 1.00 0.00 H new ATOM 1721 N LEU A 106 8.497 14.959 -13.294 1.00 0.00 N ATOM 1722 CA LEU A 106 7.722 16.162 -13.583 1.00 0.00 C ATOM 1723 C LEU A 106 6.536 15.794 -14.470 1.00 0.00 C ATOM 1724 O LEU A 106 6.323 16.361 -15.546 1.00 0.00 O ATOM 1725 CB LEU A 106 8.593 17.248 -14.236 1.00 0.00 C ATOM 1726 CG LEU A 106 7.930 18.623 -14.366 1.00 0.00 C ATOM 1727 CD1 LEU A 106 7.542 19.162 -12.998 1.00 0.00 C ATOM 1728 CD2 LEU A 106 8.859 19.596 -15.076 1.00 0.00 C ATOM 0 H LEU A 106 8.576 14.745 -12.300 1.00 0.00 H new ATOM 0 HA LEU A 106 7.351 16.578 -12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.508 17.357 -13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.886 16.908 -15.229 1.00 0.00 H new ATOM 0 HG LEU A 106 7.024 18.512 -14.961 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.073 20.139 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.841 18.476 -12.522 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.434 19.258 -12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.373 20.568 -15.160 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.782 19.700 -14.505 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.089 19.218 -16.072 1.00 0.00 H new ATOM 1740 N GLY A 107 5.777 14.808 -14.009 1.00 0.00 N ATOM 1741 CA GLY A 107 4.623 14.345 -14.748 1.00 0.00 C ATOM 1742 C GLY A 107 3.359 15.091 -14.370 1.00 0.00 C ATOM 1743 O GLY A 107 2.296 14.825 -14.930 1.00 0.00 O ATOM 0 H GLY A 107 5.944 14.319 -13.130 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.807 14.464 -15.816 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.481 13.280 -14.566 1.00 0.00 H new ATOM 1747 N ASP A 108 3.492 16.032 -13.432 1.00 0.00 N ATOM 1748 CA ASP A 108 2.368 16.825 -12.922 1.00 0.00 C ATOM 1749 C ASP A 108 1.454 15.992 -12.038 1.00 0.00 C ATOM 1750 O ASP A 108 0.872 14.994 -12.469 1.00 0.00 O ATOM 1751 CB ASP A 108 1.540 17.467 -14.045 1.00 0.00 C ATOM 1752 CG ASP A 108 1.972 18.882 -14.375 1.00 0.00 C ATOM 1753 OD1 ASP A 108 2.561 19.092 -15.454 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.695 19.796 -13.571 1.00 0.00 O ATOM 0 H ASP A 108 4.387 16.267 -13.002 1.00 0.00 H new ATOM 0 HA ASP A 108 2.814 17.624 -12.330 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.618 16.852 -14.942 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.490 17.474 -13.754 1.00 0.00 H new ATOM 1759 N GLU A 109 1.316 16.427 -10.793 1.00 0.00 N ATOM 1760 CA GLU A 109 0.413 15.789 -9.846 1.00 0.00 C ATOM 1761 C GLU A 109 -1.037 15.960 -10.299 1.00 0.00 C ATOM 1762 O GLU A 109 -1.949 15.348 -9.746 1.00 0.00 O ATOM 1763 CB GLU A 109 0.608 16.362 -8.435 1.00 0.00 C ATOM 1764 CG GLU A 109 2.003 16.134 -7.853 1.00 0.00 C ATOM 1765 CD GLU A 109 3.040 17.124 -8.359 1.00 0.00 C ATOM 1766 OE1 GLU A 109 3.585 16.921 -9.464 1.00 0.00 O ATOM 1767 OE2 GLU A 109 3.316 18.111 -7.648 1.00 0.00 O ATOM 0 H GLU A 109 1.823 17.226 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 109 0.645 14.724 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.407 17.433 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.129 15.915 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.950 16.199 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.329 15.123 -8.096 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.224 16.789 -11.327 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.520 16.989 -11.969 1.00 0.00 C ATOM 1776 C GLU A 110 -3.167 15.654 -12.341 1.00 0.00 C ATOM 1777 O GLU A 110 -4.385 15.487 -12.235 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.331 17.855 -13.221 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.522 17.862 -14.164 1.00 0.00 C ATOM 1780 CD GLU A 110 -3.308 18.765 -15.359 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -2.521 18.402 -16.259 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.932 19.844 -15.403 1.00 0.00 O ATOM 0 H GLU A 110 -0.474 17.344 -11.739 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.185 17.493 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.122 18.879 -12.912 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.455 17.501 -13.764 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -3.714 16.846 -14.510 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.410 18.187 -13.621 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.341 14.703 -12.755 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.822 13.393 -13.171 1.00 0.00 C ATOM 1791 C LEU A 111 -3.490 12.660 -12.011 1.00 0.00 C ATOM 1792 O LEU A 111 -4.446 11.909 -12.195 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.662 12.557 -13.708 1.00 0.00 C ATOM 1794 CG LEU A 111 -0.866 13.197 -14.845 1.00 0.00 C ATOM 1795 CD1 LEU A 111 0.271 12.285 -15.270 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -1.771 13.512 -16.029 1.00 0.00 C ATOM 0 H LEU A 111 -1.329 14.816 -12.812 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.562 13.538 -13.958 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.980 12.342 -12.886 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.055 11.601 -14.055 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.444 14.135 -14.484 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.830 12.753 -16.080 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.936 12.113 -14.423 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.135 11.333 -15.612 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.183 13.967 -16.826 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.226 12.591 -16.394 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.553 14.204 -15.715 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.002 12.909 -10.810 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.511 12.235 -9.629 1.00 0.00 C ATOM 1810 C LEU A 112 -4.811 12.877 -9.159 1.00 0.00 C ATOM 1811 O LEU A 112 -5.556 12.283 -8.385 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.468 12.283 -8.505 1.00 0.00 C ATOM 1813 CG LEU A 112 -1.109 11.666 -8.846 1.00 0.00 C ATOM 1814 CD1 LEU A 112 -0.133 11.859 -7.695 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -1.261 10.186 -9.171 1.00 0.00 C ATOM 0 H LEU A 112 -2.252 13.575 -10.626 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.712 11.195 -9.887 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.314 13.323 -8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.873 11.769 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.712 12.173 -9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.828 11.414 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.001 12.924 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.526 11.377 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.285 9.764 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.680 9.665 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.927 10.068 -10.025 1.00 0.00 H new ATOM 1827 N GLU A 113 -5.094 14.070 -9.673 1.00 0.00 N ATOM 1828 CA GLU A 113 -6.193 14.886 -9.168 1.00 0.00 C ATOM 1829 C GLU A 113 -7.428 14.829 -10.067 1.00 0.00 C ATOM 1830 O GLU A 113 -8.344 15.638 -9.911 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.737 16.340 -9.027 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.484 16.511 -8.186 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.071 17.961 -8.043 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -3.467 18.312 -7.007 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -4.364 18.758 -8.959 1.00 0.00 O ATOM 0 H GLU A 113 -4.575 14.494 -10.442 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.474 14.478 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.556 16.752 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.544 16.923 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.654 16.087 -7.197 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.668 15.948 -8.638 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.459 13.890 -11.009 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.638 13.708 -11.855 1.00 0.00 C ATOM 1844 C ARG A 114 -9.740 12.989 -11.068 1.00 0.00 C ATOM 1845 O ARG A 114 -9.692 12.904 -9.842 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.319 12.859 -13.088 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.927 13.023 -13.679 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.729 12.001 -14.792 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.337 11.819 -15.190 1.00 0.00 N ATOM 1850 CZ ARG A 114 -4.662 10.679 -15.042 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -5.169 9.702 -14.316 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -3.464 10.527 -15.583 1.00 0.00 N ATOM 0 H ARG A 114 -6.691 13.249 -11.206 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.964 14.699 -12.170 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.458 11.810 -12.826 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.049 13.093 -13.863 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.802 14.033 -14.070 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.172 12.886 -12.905 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.131 11.042 -14.466 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.308 12.310 -15.662 1.00 0.00 H new ATOM 0 HE ARG A 114 -4.851 12.613 -15.607 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.078 9.818 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.652 8.830 -14.203 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.047 11.287 -16.120 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.958 9.650 -15.463 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.712 12.445 -11.792 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.751 11.609 -11.208 1.00 0.00 C ATOM 1868 C GLU A 115 -11.709 10.268 -11.939 1.00 0.00 C ATOM 1869 O GLU A 115 -11.358 10.238 -13.105 1.00 0.00 O ATOM 1870 CB GLU A 115 -13.119 12.286 -11.373 1.00 0.00 C ATOM 1871 CG GLU A 115 -14.146 11.908 -10.312 1.00 0.00 C ATOM 1872 CD GLU A 115 -14.450 10.426 -10.281 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -15.024 9.913 -11.260 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.095 9.762 -9.284 1.00 0.00 O ATOM 0 H GLU A 115 -10.801 12.572 -12.800 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.589 11.460 -10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.979 13.367 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.519 12.032 -12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.779 12.218 -9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.069 12.458 -10.496 1.00 0.00 H new ATOM 1881 N LEU A 116 -12.038 9.173 -11.263 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.914 7.830 -11.843 1.00 0.00 C ATOM 1883 C LEU A 116 -12.638 7.715 -13.187 1.00 0.00 C ATOM 1884 O LEU A 116 -12.135 7.077 -14.109 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.436 6.772 -10.862 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.337 5.319 -11.342 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.885 4.927 -11.573 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.987 4.383 -10.332 1.00 0.00 C ATOM 0 H LEU A 116 -12.395 9.184 -10.308 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.854 7.653 -12.028 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.884 6.865 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.480 6.992 -10.639 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.869 5.233 -12.289 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.837 3.893 -11.913 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.448 5.578 -12.330 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.328 5.029 -10.642 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.909 3.355 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.480 4.475 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -14.038 4.648 -10.214 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.799 8.353 -13.304 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.553 8.359 -14.561 1.00 0.00 C ATOM 1902 C ALA A 117 -13.808 9.124 -15.660 1.00 0.00 C ATOM 1903 O ALA A 117 -14.117 8.988 -16.845 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.934 8.960 -14.345 1.00 0.00 C ATOM 0 H ALA A 117 -14.241 8.873 -12.546 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.661 7.325 -14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.483 8.958 -15.287 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.477 8.369 -13.607 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.833 9.984 -13.986 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.832 9.928 -15.259 1.00 0.00 N ATOM 1911 CA LEU A 118 -12.021 10.690 -16.203 1.00 0.00 C ATOM 1912 C LEU A 118 -10.798 9.889 -16.632 1.00 0.00 C ATOM 1913 O LEU A 118 -10.128 10.233 -17.607 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.551 12.012 -15.584 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.650 12.953 -15.088 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.029 14.229 -14.536 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.628 13.276 -16.208 1.00 0.00 C ATOM 0 H LEU A 118 -12.581 10.071 -14.281 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.646 10.900 -17.071 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.892 11.783 -14.746 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.953 12.544 -16.324 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.203 12.456 -14.291 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.817 14.895 -14.185 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.366 13.982 -13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.458 14.725 -15.321 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.401 13.947 -15.834 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.096 13.758 -17.028 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.088 12.355 -16.566 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.493 8.831 -15.891 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.307 8.032 -16.174 1.00 0.00 C ATOM 1931 C LEU A 119 -9.604 6.961 -17.212 1.00 0.00 C ATOM 1932 O LEU A 119 -10.257 5.958 -16.932 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.720 7.427 -14.886 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.834 8.394 -14.091 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -8.618 9.610 -13.667 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.209 7.750 -12.866 1.00 0.00 C ATOM 0 H LEU A 119 -11.045 8.508 -15.096 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.550 8.694 -16.594 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.538 7.092 -14.248 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.136 6.544 -15.145 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.026 8.686 -14.762 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.970 10.283 -13.105 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.997 10.125 -14.550 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.455 9.303 -13.040 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.593 8.483 -12.344 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.996 7.396 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.589 6.908 -13.174 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.125 7.213 -18.423 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.337 6.322 -19.551 1.00 0.00 C ATOM 1950 C VAL A 120 -7.996 5.723 -19.972 1.00 0.00 C ATOM 1951 O VAL A 120 -6.944 6.196 -19.540 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.971 7.078 -20.749 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -10.435 6.116 -21.837 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -11.129 7.951 -20.285 1.00 0.00 C ATOM 0 H VAL A 120 -8.578 8.043 -18.649 1.00 0.00 H new ATOM 0 HA VAL A 120 -10.024 5.531 -19.248 1.00 0.00 H new ATOM 0 HB VAL A 120 -9.199 7.719 -21.176 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.873 6.681 -22.660 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.583 5.543 -22.204 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -11.181 5.435 -21.427 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.558 8.471 -21.141 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.892 7.327 -19.820 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.767 8.681 -19.561 1.00 0.00 H new ATOM 1964 N SER A 121 -8.032 4.687 -20.795 1.00 0.00 N ATOM 1965 CA SER A 121 -6.821 4.043 -21.268 1.00 0.00 C ATOM 1966 C SER A 121 -6.051 4.953 -22.225 1.00 0.00 C ATOM 1967 O SER A 121 -6.553 5.997 -22.642 1.00 0.00 O ATOM 1968 CB SER A 121 -7.171 2.723 -21.950 1.00 0.00 C ATOM 1969 OG SER A 121 -8.196 2.905 -22.912 1.00 0.00 O ATOM 0 H SER A 121 -8.894 4.273 -21.150 1.00 0.00 H new ATOM 0 HA SER A 121 -6.178 3.843 -20.411 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.284 2.312 -22.432 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.493 1.998 -21.203 1.00 0.00 H new ATOM 0 HG SER A 121 -7.899 3.549 -23.588 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.840 4.536 -22.586 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.974 5.312 -23.469 1.00 0.00 C ATOM 1977 C ALA A 122 -4.641 5.570 -24.819 1.00 0.00 C ATOM 1978 O ALA A 122 -4.350 6.559 -25.490 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.646 4.593 -23.653 1.00 0.00 C ATOM 0 H ALA A 122 -4.433 3.654 -22.276 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.792 6.281 -23.005 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.004 5.177 -24.313 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.159 4.475 -22.685 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.822 3.611 -24.093 1.00 0.00 H new ATOM 1985 N HIS A 123 -5.537 4.673 -25.211 1.00 0.00 N ATOM 1986 CA HIS A 123 -6.332 4.875 -26.411 1.00 0.00 C ATOM 1987 C HIS A 123 -7.758 5.229 -26.011 1.00 0.00 C ATOM 1988 O HIS A 123 -8.338 4.593 -25.128 1.00 0.00 O ATOM 1989 CB HIS A 123 -6.308 3.629 -27.321 1.00 0.00 C ATOM 1990 CG HIS A 123 -7.147 2.470 -26.843 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -8.145 1.904 -27.606 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -7.130 1.771 -25.681 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -8.706 0.916 -26.935 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -8.109 0.812 -25.764 1.00 0.00 N ATOM 0 H HIS A 123 -5.729 3.802 -24.716 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.902 5.696 -26.984 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -6.649 3.918 -28.315 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -5.276 3.293 -27.423 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -6.468 1.938 -24.844 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.518 0.296 -27.286 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -8.337 0.131 -25.039 1.00 0.00 H new ATOM 2003 N ASP A 124 -8.314 6.246 -26.635 1.00 0.00 N ATOM 2004 CA ASP A 124 -9.671 6.663 -26.331 1.00 0.00 C ATOM 2005 C ASP A 124 -10.524 6.601 -27.583 1.00 0.00 C ATOM 2006 O ASP A 124 -10.084 6.977 -28.669 1.00 0.00 O ATOM 2007 CB ASP A 124 -9.696 8.074 -25.730 1.00 0.00 C ATOM 2008 CG ASP A 124 -9.171 9.136 -26.675 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -7.934 9.256 -26.819 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -9.991 9.869 -27.268 1.00 0.00 O ATOM 0 H ASP A 124 -7.850 6.800 -27.355 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.082 5.980 -25.588 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.719 8.323 -25.447 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.101 8.083 -24.817 1.00 0.00 H new ATOM 2015 N ASP A 125 -11.733 6.099 -27.432 1.00 0.00 N ATOM 2016 CA ASP A 125 -12.636 5.942 -28.556 1.00 0.00 C ATOM 2017 C ASP A 125 -13.716 7.005 -28.506 1.00 0.00 C ATOM 2018 O ASP A 125 -14.665 6.855 -27.715 1.00 0.00 O ATOM 2019 CB ASP A 125 -13.252 4.539 -28.567 1.00 0.00 C ATOM 2020 CG ASP A 125 -12.281 3.487 -29.062 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -12.388 3.085 -30.242 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -11.403 3.054 -28.283 1.00 0.00 O ATOM 0 H ASP A 125 -12.115 5.791 -26.538 1.00 0.00 H new ATOM 0 HA ASP A 125 -12.069 6.064 -29.479 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.581 4.281 -27.560 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.138 4.539 -29.201 1.00 0.00 H new TER 2027 ASP A 125