USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 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 85 ASN : amide:sc= -0.845 K(o=-4.1,f=-11!) USER MOD Set 1.2: A 88 MET CE :methyl -125:sc= -3.23! (180deg=-5.47!) USER MOD Set 2.1: A 72 GLN : amide:sc= 0.834 K(o=2.1,f=-9.8!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 159:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0865 (180deg=-0.527) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.026) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= 1.09 (180deg=0.722) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.28) USER MOD Single : A 12 ASN : amide:sc=-0.00296 K(o=-0.003,f=-0.91) USER MOD Single : A 13 GLN : amide:sc= 0.155 X(o=0.15,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.777 K(o=0.78,f=-1.6!) USER MOD Single : A 21 GLN : amide:sc= 0.63 K(o=0.63,f=-0.086) USER MOD Single : A 28 GLN : amide:sc= -0.675! X(o=-0.67!,f=-0.83) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= -0.0961 (180deg=-0.0961) USER MOD Single : A 43 ASN : amide:sc= -0.0892 K(o=-0.089,f=-3.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc=-0.00436 (180deg=-0.127) USER MOD Single : A 52 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.053) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc=-0.000429 (180deg=-0.0972) USER MOD Single : A 56 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= 1.22 K(o=1.2,f=-1.2!) USER MOD Single : A 58 TYR OH : rot 150:sc= -0.0259 USER MOD Single : A 59 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 60 SER OG : rot 73:sc= 0.54 USER MOD Single : A 65 ASN : amide:sc= 0.682 K(o=0.68,f=-3.2!) USER MOD Single : A 68 SER OG : rot -80:sc= 1.3 USER MOD Single : A 76 MET CE :methyl -132:sc= -0.0494 (180deg=-0.382) USER MOD Single : A 78 MET CE :methyl -148:sc=-0.00732 (180deg=-1.62!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 169:sc=-0.000942 (180deg=-0.101) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 91 GLN : amide:sc= -1.27! K(o=-1.3!,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 95 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.63) USER MOD Single : A 96 HIS : no HD1:sc= -0.0718 X(o=-0.072,f=-0.48) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc=-0.00262 X(o=-0.0026,f=-0.0026) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.673 13.574 15.645 1.00 55.53 N ATOM 2 CA MET A 1 -5.247 13.949 14.279 1.00 1.22 C ATOM 3 C MET A 1 -4.900 12.694 13.490 1.00 35.11 C ATOM 4 O MET A 1 -3.847 12.092 13.696 1.00 73.01 O ATOM 5 CB MET A 1 -4.037 14.891 14.337 1.00 55.20 C ATOM 6 CG MET A 1 -3.612 15.422 12.978 1.00 24.13 C ATOM 7 SD MET A 1 -4.896 16.415 12.194 1.00 13.23 S ATOM 8 CE MET A 1 -5.005 17.798 13.332 1.00 31.55 C ATOM 0 H1 MET A 1 -5.910 14.432 16.183 1.00 55.53 H new ATOM 0 H2 MET A 1 -6.509 12.958 15.591 1.00 55.53 H new ATOM 0 H3 MET A 1 -4.900 13.068 16.123 1.00 55.53 H new ATOM 0 HA MET A 1 -6.065 14.470 13.781 1.00 1.22 H new ATOM 0 HB2 MET A 1 -4.273 15.732 14.988 1.00 55.20 H new ATOM 0 HB3 MET A 1 -3.198 14.363 14.790 1.00 55.20 H new ATOM 0 HG2 MET A 1 -2.710 16.024 13.092 1.00 24.13 H new ATOM 0 HG3 MET A 1 -3.356 14.585 12.328 1.00 24.13 H new ATOM 0 HE1 MET A 1 -5.487 18.640 12.836 1.00 31.55 H new ATOM 0 HE2 MET A 1 -5.591 17.506 14.204 1.00 31.55 H new ATOM 0 HE3 MET A 1 -4.003 18.089 13.648 1.00 31.55 H new ATOM 20 N ASP A 2 -5.790 12.297 12.592 1.00 71.40 N ATOM 21 CA ASP A 2 -5.631 11.037 11.883 1.00 31.03 C ATOM 22 C ASP A 2 -5.117 11.270 10.472 1.00 1.52 C ATOM 23 O ASP A 2 -5.899 11.358 9.524 1.00 30.32 O ATOM 24 CB ASP A 2 -6.956 10.274 11.802 1.00 31.41 C ATOM 25 CG ASP A 2 -7.743 10.279 13.094 1.00 23.13 C ATOM 26 OD1 ASP A 2 -7.271 9.699 14.093 1.00 2.21 O ATOM 27 OD2 ASP A 2 -8.848 10.870 13.112 1.00 3.30 O ATOM 0 H ASP A 2 -6.625 12.826 12.339 1.00 71.40 H new ATOM 0 HA ASP A 2 -4.908 10.445 12.444 1.00 31.03 H new ATOM 0 HB2 ASP A 2 -7.568 10.710 11.013 1.00 31.41 H new ATOM 0 HB3 ASP A 2 -6.754 9.242 11.515 1.00 31.41 H new ATOM 32 N GLN A 3 -3.805 11.366 10.329 1.00 24.04 N ATOM 33 CA GLN A 3 -3.204 11.549 9.016 1.00 21.42 C ATOM 34 C GLN A 3 -3.510 10.354 8.126 1.00 63.42 C ATOM 35 O GLN A 3 -3.798 10.511 6.940 1.00 52.22 O ATOM 36 CB GLN A 3 -1.693 11.747 9.124 1.00 13.04 C ATOM 37 CG GLN A 3 -1.292 13.103 9.684 1.00 24.15 C ATOM 38 CD GLN A 3 0.212 13.306 9.713 1.00 4.12 C ATOM 39 OE1 GLN A 3 0.704 14.423 9.549 1.00 41.35 O ATOM 40 NE2 GLN A 3 0.954 12.235 9.937 1.00 12.31 N ATOM 0 H GLN A 3 -3.139 11.321 11.100 1.00 24.04 H new ATOM 0 HA GLN A 3 -3.634 12.446 8.571 1.00 21.42 H new ATOM 0 HB2 GLN A 3 -1.278 10.964 9.759 1.00 13.04 H new ATOM 0 HB3 GLN A 3 -1.248 11.626 8.136 1.00 13.04 H new ATOM 0 HG2 GLN A 3 -1.749 13.889 9.082 1.00 24.15 H new ATOM 0 HG3 GLN A 3 -1.687 13.205 10.695 1.00 24.15 H new ATOM 0 HE21 GLN A 3 0.511 11.326 10.068 1.00 12.31 H new ATOM 0 HE22 GLN A 3 1.970 12.318 9.979 1.00 12.31 H new ATOM 49 N LEU A 4 -3.463 9.160 8.713 1.00 71.22 N ATOM 50 CA LEU A 4 -3.790 7.933 7.995 1.00 34.34 C ATOM 51 C LEU A 4 -5.223 7.975 7.470 1.00 61.34 C ATOM 52 O LEU A 4 -5.517 7.433 6.407 1.00 64.13 O ATOM 53 CB LEU A 4 -3.600 6.712 8.901 1.00 55.02 C ATOM 54 CG LEU A 4 -2.160 6.451 9.342 1.00 25.01 C ATOM 55 CD1 LEU A 4 -2.113 5.334 10.369 1.00 43.10 C ATOM 56 CD2 LEU A 4 -1.293 6.101 8.140 1.00 2.22 C ATOM 0 H LEU A 4 -3.200 9.017 9.688 1.00 71.22 H new ATOM 0 HA LEU A 4 -3.112 7.851 7.146 1.00 34.34 H new ATOM 0 HB2 LEU A 4 -4.219 6.838 9.789 1.00 55.02 H new ATOM 0 HB3 LEU A 4 -3.969 5.830 8.378 1.00 55.02 H new ATOM 0 HG LEU A 4 -1.769 7.359 9.801 1.00 25.01 H new ATOM 0 HD11 LEU A 4 -1.080 5.161 10.672 1.00 43.10 H new ATOM 0 HD12 LEU A 4 -2.704 5.616 11.240 1.00 43.10 H new ATOM 0 HD13 LEU A 4 -2.521 4.422 9.933 1.00 43.10 H new ATOM 0 HD21 LEU A 4 -0.270 5.918 8.470 1.00 2.22 H new ATOM 0 HD22 LEU A 4 -1.684 5.205 7.657 1.00 2.22 H new ATOM 0 HD23 LEU A 4 -1.303 6.929 7.431 1.00 2.22 H new ATOM 68 N LYS A 5 -6.103 8.646 8.205 1.00 71.31 N ATOM 69 CA LYS A 5 -7.497 8.764 7.803 1.00 73.43 C ATOM 70 C LYS A 5 -7.607 9.691 6.602 1.00 63.34 C ATOM 71 O LYS A 5 -8.266 9.371 5.617 1.00 15.30 O ATOM 72 CB LYS A 5 -8.335 9.298 8.963 1.00 21.41 C ATOM 73 CG LYS A 5 -9.806 9.493 8.637 1.00 3.30 C ATOM 74 CD LYS A 5 -10.539 10.162 9.789 1.00 23.05 C ATOM 75 CE LYS A 5 -9.988 11.555 10.063 1.00 3.13 C ATOM 76 NZ LYS A 5 -10.573 12.153 11.291 1.00 31.41 N ATOM 0 H LYS A 5 -5.875 9.116 9.081 1.00 71.31 H new ATOM 0 HA LYS A 5 -7.875 7.779 7.527 1.00 73.43 H new ATOM 0 HB2 LYS A 5 -8.250 8.610 9.804 1.00 21.41 H new ATOM 0 HB3 LYS A 5 -7.918 10.251 9.288 1.00 21.41 H new ATOM 0 HG2 LYS A 5 -9.905 10.101 7.738 1.00 3.30 H new ATOM 0 HG3 LYS A 5 -10.265 8.528 8.422 1.00 3.30 H new ATOM 0 HD2 LYS A 5 -11.602 10.229 9.556 1.00 23.05 H new ATOM 0 HD3 LYS A 5 -10.447 9.549 10.686 1.00 23.05 H new ATOM 0 HE2 LYS A 5 -8.904 11.502 10.166 1.00 3.13 H new ATOM 0 HE3 LYS A 5 -10.196 12.201 9.210 1.00 3.13 H new ATOM 0 HZ1 LYS A 5 -10.466 13.187 11.258 1.00 31.41 H new ATOM 0 HZ2 LYS A 5 -11.583 11.911 11.348 1.00 31.41 H new ATOM 0 HZ3 LYS A 5 -10.080 11.780 12.127 1.00 31.41 H new ATOM 90 N THR A 6 -6.934 10.832 6.692 1.00 20.01 N ATOM 91 CA THR A 6 -6.886 11.787 5.598 1.00 64.35 C ATOM 92 C THR A 6 -6.329 11.135 4.333 1.00 71.34 C ATOM 93 O THR A 6 -6.862 11.318 3.240 1.00 41.34 O ATOM 94 CB THR A 6 -6.025 13.005 5.985 1.00 43.31 C ATOM 95 OG1 THR A 6 -6.633 13.691 7.090 1.00 35.12 O ATOM 96 CG2 THR A 6 -5.855 13.962 4.815 1.00 43.02 C ATOM 0 H THR A 6 -6.411 11.117 7.520 1.00 20.01 H new ATOM 0 HA THR A 6 -7.903 12.122 5.396 1.00 64.35 H new ATOM 0 HB THR A 6 -5.036 12.645 6.270 1.00 43.31 H new ATOM 0 HG1 THR A 6 -6.084 14.464 7.337 1.00 35.12 H new ATOM 0 HG21 THR A 6 -5.243 14.809 5.124 1.00 43.02 H new ATOM 0 HG22 THR A 6 -5.368 13.444 3.989 1.00 43.02 H new ATOM 0 HG23 THR A 6 -6.833 14.320 4.492 1.00 43.02 H new ATOM 104 N ILE A 7 -5.269 10.356 4.497 1.00 62.11 N ATOM 105 CA ILE A 7 -4.665 9.636 3.387 1.00 64.10 C ATOM 106 C ILE A 7 -5.660 8.659 2.763 1.00 61.42 C ATOM 107 O ILE A 7 -5.793 8.594 1.540 1.00 73.10 O ATOM 108 CB ILE A 7 -3.400 8.888 3.847 1.00 1.32 C ATOM 109 CG1 ILE A 7 -2.348 9.895 4.313 1.00 61.12 C ATOM 110 CG2 ILE A 7 -2.848 8.015 2.730 1.00 75.41 C ATOM 111 CD1 ILE A 7 -1.185 9.274 5.056 1.00 23.11 C ATOM 0 H ILE A 7 -4.808 10.207 5.394 1.00 62.11 H new ATOM 0 HA ILE A 7 -4.381 10.367 2.630 1.00 64.10 H new ATOM 0 HB ILE A 7 -3.662 8.236 4.680 1.00 1.32 H new ATOM 0 HG12 ILE A 7 -1.966 10.433 3.445 1.00 61.12 H new ATOM 0 HG13 ILE A 7 -2.826 10.631 4.959 1.00 61.12 H new ATOM 0 HG21 ILE A 7 -1.955 7.498 3.080 1.00 75.41 H new ATOM 0 HG22 ILE A 7 -3.600 7.283 2.435 1.00 75.41 H new ATOM 0 HG23 ILE A 7 -2.593 8.639 1.873 1.00 75.41 H new ATOM 0 HD11 ILE A 7 -0.484 10.054 5.352 1.00 23.11 H new ATOM 0 HD12 ILE A 7 -1.553 8.761 5.944 1.00 23.11 H new ATOM 0 HD13 ILE A 7 -0.679 8.559 4.407 1.00 23.11 H new ATOM 123 N LYS A 8 -6.378 7.919 3.605 1.00 63.24 N ATOM 124 CA LYS A 8 -7.411 7.005 3.122 1.00 11.22 C ATOM 125 C LYS A 8 -8.496 7.770 2.370 1.00 62.20 C ATOM 126 O LYS A 8 -8.963 7.330 1.322 1.00 53.43 O ATOM 127 CB LYS A 8 -8.019 6.208 4.280 1.00 51.13 C ATOM 128 CG LYS A 8 -7.037 5.233 4.904 1.00 52.10 C ATOM 129 CD LYS A 8 -7.655 4.428 6.038 1.00 42.42 C ATOM 130 CE LYS A 8 -6.641 3.456 6.621 1.00 2.44 C ATOM 131 NZ LYS A 8 -7.202 2.613 7.708 1.00 11.11 N ATOM 0 H LYS A 8 -6.265 7.934 4.619 1.00 63.24 H new ATOM 0 HA LYS A 8 -6.945 6.301 2.433 1.00 11.22 H new ATOM 0 HB2 LYS A 8 -8.372 6.900 5.045 1.00 51.13 H new ATOM 0 HB3 LYS A 8 -8.889 5.659 3.920 1.00 51.13 H new ATOM 0 HG2 LYS A 8 -6.670 4.551 4.137 1.00 52.10 H new ATOM 0 HG3 LYS A 8 -6.174 5.783 5.281 1.00 52.10 H new ATOM 0 HD2 LYS A 8 -8.010 5.102 6.818 1.00 42.42 H new ATOM 0 HD3 LYS A 8 -8.523 3.880 5.671 1.00 42.42 H new ATOM 0 HE2 LYS A 8 -6.265 2.811 5.826 1.00 2.44 H new ATOM 0 HE3 LYS A 8 -5.789 4.016 7.006 1.00 2.44 H new ATOM 0 HZ1 LYS A 8 -6.439 2.057 8.145 1.00 11.11 H new ATOM 0 HZ2 LYS A 8 -7.643 3.222 8.427 1.00 11.11 H new ATOM 0 HZ3 LYS A 8 -7.917 1.969 7.314 1.00 11.11 H new ATOM 145 N GLU A 9 -8.868 8.931 2.898 1.00 13.10 N ATOM 146 CA GLU A 9 -9.845 9.797 2.249 1.00 23.14 C ATOM 147 C GLU A 9 -9.355 10.225 0.870 1.00 25.34 C ATOM 148 O GLU A 9 -10.127 10.285 -0.088 1.00 21.12 O ATOM 149 CB GLU A 9 -10.114 11.029 3.111 1.00 74.23 C ATOM 150 CG GLU A 9 -10.832 10.716 4.413 1.00 24.13 C ATOM 151 CD GLU A 9 -12.266 10.284 4.198 1.00 11.12 C ATOM 152 OE1 GLU A 9 -13.144 11.168 4.132 1.00 13.22 O ATOM 153 OE2 GLU A 9 -12.524 9.066 4.091 1.00 22.51 O ATOM 0 H GLU A 9 -8.505 9.295 3.779 1.00 13.10 H new ATOM 0 HA GLU A 9 -10.772 9.236 2.130 1.00 23.14 H new ATOM 0 HB2 GLU A 9 -9.166 11.518 3.337 1.00 74.23 H new ATOM 0 HB3 GLU A 9 -10.711 11.739 2.539 1.00 74.23 H new ATOM 0 HG2 GLU A 9 -10.294 9.928 4.940 1.00 24.13 H new ATOM 0 HG3 GLU A 9 -10.814 11.597 5.054 1.00 24.13 H new ATOM 160 N LEU A 10 -8.064 10.518 0.775 1.00 12.41 N ATOM 161 CA LEU A 10 -7.454 10.891 -0.494 1.00 41.04 C ATOM 162 C LEU A 10 -7.527 9.731 -1.478 1.00 31.24 C ATOM 163 O LEU A 10 -7.908 9.909 -2.635 1.00 24.13 O ATOM 164 CB LEU A 10 -5.996 11.308 -0.283 1.00 63.05 C ATOM 165 CG LEU A 10 -5.797 12.509 0.639 1.00 3.33 C ATOM 166 CD1 LEU A 10 -4.319 12.755 0.888 1.00 40.31 C ATOM 167 CD2 LEU A 10 -6.453 13.746 0.046 1.00 32.15 C ATOM 0 H LEU A 10 -7.418 10.504 1.564 1.00 12.41 H new ATOM 0 HA LEU A 10 -8.005 11.737 -0.906 1.00 41.04 H new ATOM 0 HB2 LEU A 10 -5.446 10.460 0.126 1.00 63.05 H new ATOM 0 HB3 LEU A 10 -5.555 11.536 -1.253 1.00 63.05 H new ATOM 0 HG LEU A 10 -6.271 12.291 1.596 1.00 3.33 H new ATOM 0 HD11 LEU A 10 -4.199 13.615 1.547 1.00 40.31 H new ATOM 0 HD12 LEU A 10 -3.877 11.875 1.356 1.00 40.31 H new ATOM 0 HD13 LEU A 10 -3.818 12.952 -0.060 1.00 40.31 H new ATOM 0 HD21 LEU A 10 -6.303 14.594 0.715 1.00 32.15 H new ATOM 0 HD22 LEU A 10 -6.006 13.965 -0.924 1.00 32.15 H new ATOM 0 HD23 LEU A 10 -7.521 13.567 -0.078 1.00 32.15 H new ATOM 179 N ILE A 11 -7.187 8.541 -0.997 1.00 32.01 N ATOM 180 CA ILE A 11 -7.195 7.337 -1.820 1.00 31.32 C ATOM 181 C ILE A 11 -8.615 6.981 -2.263 1.00 34.13 C ATOM 182 O ILE A 11 -8.823 6.513 -3.383 1.00 73.10 O ATOM 183 CB ILE A 11 -6.551 6.153 -1.059 1.00 24.34 C ATOM 184 CG1 ILE A 11 -5.097 6.489 -0.729 1.00 3.33 C ATOM 185 CG2 ILE A 11 -6.630 4.868 -1.872 1.00 24.13 C ATOM 186 CD1 ILE A 11 -4.426 5.481 0.177 1.00 42.50 C ATOM 0 H ILE A 11 -6.900 8.383 -0.031 1.00 32.01 H new ATOM 0 HA ILE A 11 -6.604 7.538 -2.714 1.00 31.32 H new ATOM 0 HB ILE A 11 -7.104 5.992 -0.133 1.00 24.34 H new ATOM 0 HG12 ILE A 11 -4.531 6.561 -1.658 1.00 3.33 H new ATOM 0 HG13 ILE A 11 -5.059 7.470 -0.256 1.00 3.33 H new ATOM 0 HG21 ILE A 11 -6.170 4.054 -1.312 1.00 24.13 H new ATOM 0 HG22 ILE A 11 -7.674 4.627 -2.071 1.00 24.13 H new ATOM 0 HG23 ILE A 11 -6.103 5.002 -2.816 1.00 24.13 H new ATOM 0 HD11 ILE A 11 -3.397 5.789 0.365 1.00 42.50 H new ATOM 0 HD12 ILE A 11 -4.966 5.425 1.122 1.00 42.50 H new ATOM 0 HD13 ILE A 11 -4.430 4.502 -0.302 1.00 42.50 H new ATOM 198 N ASN A 12 -9.589 7.224 -1.389 1.00 13.24 N ATOM 199 CA ASN A 12 -10.999 7.017 -1.729 1.00 51.13 C ATOM 200 C ASN A 12 -11.406 7.924 -2.885 1.00 5.05 C ATOM 201 O ASN A 12 -12.033 7.479 -3.847 1.00 13.03 O ATOM 202 CB ASN A 12 -11.907 7.289 -0.519 1.00 61.31 C ATOM 203 CG ASN A 12 -11.758 6.254 0.583 1.00 13.24 C ATOM 204 OD1 ASN A 12 -11.435 5.094 0.325 1.00 61.31 O ATOM 205 ND2 ASN A 12 -12.001 6.661 1.823 1.00 13.14 N ATOM 0 H ASN A 12 -9.430 7.564 -0.441 1.00 13.24 H new ATOM 0 HA ASN A 12 -11.118 5.975 -2.027 1.00 51.13 H new ATOM 0 HB2 ASN A 12 -11.679 8.276 -0.116 1.00 61.31 H new ATOM 0 HB3 ASN A 12 -12.945 7.312 -0.850 1.00 61.31 H new ATOM 0 HD21 ASN A 12 -11.922 6.005 2.600 1.00 13.14 H new ATOM 0 HD22 ASN A 12 -12.266 7.630 1.999 1.00 13.14 H new ATOM 212 N GLN A 13 -11.033 9.194 -2.786 1.00 21.42 N ATOM 213 CA GLN A 13 -11.346 10.175 -3.820 1.00 54.42 C ATOM 214 C GLN A 13 -10.591 9.867 -5.106 1.00 55.32 C ATOM 215 O GLN A 13 -11.158 9.904 -6.197 1.00 21.31 O ATOM 216 CB GLN A 13 -10.988 11.581 -3.337 1.00 33.21 C ATOM 217 CG GLN A 13 -11.814 12.041 -2.152 1.00 21.02 C ATOM 218 CD GLN A 13 -11.300 13.329 -1.538 1.00 1.23 C ATOM 219 OE1 GLN A 13 -11.678 14.425 -1.949 1.00 64.34 O ATOM 220 NE2 GLN A 13 -10.444 13.203 -0.536 1.00 33.32 N ATOM 0 H GLN A 13 -10.510 9.571 -1.996 1.00 21.42 H new ATOM 0 HA GLN A 13 -12.416 10.124 -4.024 1.00 54.42 H new ATOM 0 HB2 GLN A 13 -9.933 11.606 -3.066 1.00 33.21 H new ATOM 0 HB3 GLN A 13 -11.123 12.284 -4.159 1.00 33.21 H new ATOM 0 HG2 GLN A 13 -12.847 12.183 -2.469 1.00 21.02 H new ATOM 0 HG3 GLN A 13 -11.818 11.259 -1.393 1.00 21.02 H new ATOM 0 HE21 GLN A 13 -10.156 12.275 -0.225 1.00 33.32 H new ATOM 0 HE22 GLN A 13 -10.073 14.034 -0.075 1.00 33.32 H new ATOM 229 N GLY A 14 -9.314 9.551 -4.964 1.00 5.32 N ATOM 230 CA GLY A 14 -8.476 9.300 -6.115 1.00 3.11 C ATOM 231 C GLY A 14 -7.257 10.196 -6.133 1.00 25.42 C ATOM 232 O GLY A 14 -6.523 10.248 -7.119 1.00 23.21 O ATOM 0 H GLY A 14 -8.841 9.464 -4.065 1.00 5.32 H new ATOM 0 HA2 GLY A 14 -8.160 8.257 -6.113 1.00 3.11 H new ATOM 0 HA3 GLY A 14 -9.054 9.456 -7.026 1.00 3.11 H new ATOM 236 N ASP A 15 -7.034 10.890 -5.028 1.00 72.53 N ATOM 237 CA ASP A 15 -5.910 11.808 -4.905 1.00 52.12 C ATOM 238 C ASP A 15 -4.673 11.051 -4.407 1.00 65.32 C ATOM 239 O ASP A 15 -4.061 11.411 -3.399 1.00 24.04 O ATOM 240 CB ASP A 15 -6.285 12.939 -3.944 1.00 43.12 C ATOM 241 CG ASP A 15 -5.516 14.218 -4.201 1.00 65.32 C ATOM 242 OD1 ASP A 15 -5.035 14.416 -5.335 1.00 32.13 O ATOM 243 OD2 ASP A 15 -5.418 15.055 -3.279 1.00 34.31 O ATOM 0 H ASP A 15 -7.622 10.835 -4.196 1.00 72.53 H new ATOM 0 HA ASP A 15 -5.675 12.240 -5.878 1.00 52.12 H new ATOM 0 HB2 ASP A 15 -7.353 13.141 -4.029 1.00 43.12 H new ATOM 0 HB3 ASP A 15 -6.103 12.613 -2.920 1.00 43.12 H new ATOM 248 N ILE A 16 -4.319 9.999 -5.144 1.00 13.44 N ATOM 249 CA ILE A 16 -3.259 9.070 -4.757 1.00 72.03 C ATOM 250 C ILE A 16 -1.908 9.755 -4.538 1.00 10.35 C ATOM 251 O ILE A 16 -1.229 9.469 -3.556 1.00 63.54 O ATOM 252 CB ILE A 16 -3.108 7.934 -5.807 1.00 1.05 C ATOM 253 CG1 ILE A 16 -4.080 6.787 -5.511 1.00 4.23 C ATOM 254 CG2 ILE A 16 -1.680 7.401 -5.854 1.00 60.45 C ATOM 255 CD1 ILE A 16 -5.541 7.152 -5.619 1.00 4.42 C ATOM 0 H ILE A 16 -4.763 9.766 -6.032 1.00 13.44 H new ATOM 0 HA ILE A 16 -3.565 8.647 -3.800 1.00 72.03 H new ATOM 0 HB ILE A 16 -3.346 8.361 -6.781 1.00 1.05 H new ATOM 0 HG12 ILE A 16 -3.873 5.967 -6.199 1.00 4.23 H new ATOM 0 HG13 ILE A 16 -3.886 6.416 -4.505 1.00 4.23 H new ATOM 0 HG21 ILE A 16 -1.612 6.608 -6.599 1.00 60.45 H new ATOM 0 HG22 ILE A 16 -0.999 8.209 -6.121 1.00 60.45 H new ATOM 0 HG23 ILE A 16 -1.407 7.004 -4.876 1.00 60.45 H new ATOM 0 HD11 ILE A 16 -6.152 6.278 -5.393 1.00 4.42 H new ATOM 0 HD12 ILE A 16 -5.770 7.949 -4.911 1.00 4.42 H new ATOM 0 HD13 ILE A 16 -5.757 7.493 -6.631 1.00 4.42 H new ATOM 267 N GLU A 17 -1.519 10.659 -5.431 1.00 52.45 N ATOM 268 CA GLU A 17 -0.192 11.268 -5.341 1.00 51.24 C ATOM 269 C GLU A 17 -0.042 12.114 -4.078 1.00 60.22 C ATOM 270 O GLU A 17 1.037 12.161 -3.485 1.00 42.45 O ATOM 271 CB GLU A 17 0.132 12.086 -6.592 1.00 11.03 C ATOM 272 CG GLU A 17 0.487 11.217 -7.787 1.00 10.14 C ATOM 273 CD GLU A 17 0.913 12.016 -8.999 1.00 31.22 C ATOM 274 OE1 GLU A 17 2.025 12.581 -8.987 1.00 31.54 O ATOM 275 OE2 GLU A 17 0.143 12.067 -9.982 1.00 4.51 O ATOM 0 H GLU A 17 -2.089 10.983 -6.212 1.00 52.45 H new ATOM 0 HA GLU A 17 0.531 10.454 -5.277 1.00 51.24 H new ATOM 0 HB2 GLU A 17 -0.725 12.711 -6.844 1.00 11.03 H new ATOM 0 HB3 GLU A 17 0.963 12.757 -6.377 1.00 11.03 H new ATOM 0 HG2 GLU A 17 1.291 10.537 -7.507 1.00 10.14 H new ATOM 0 HG3 GLU A 17 -0.374 10.602 -8.049 1.00 10.14 H new ATOM 282 N ASN A 18 -1.118 12.770 -3.661 1.00 61.50 N ATOM 283 CA ASN A 18 -1.117 13.507 -2.400 1.00 63.40 C ATOM 284 C ASN A 18 -1.099 12.545 -1.223 1.00 21.30 C ATOM 285 O ASN A 18 -0.483 12.817 -0.192 1.00 73.31 O ATOM 286 CB ASN A 18 -2.327 14.438 -2.304 1.00 41.25 C ATOM 287 CG ASN A 18 -2.069 15.784 -2.953 1.00 52.40 C ATOM 288 OD1 ASN A 18 -0.946 16.287 -2.944 1.00 54.32 O ATOM 289 ND2 ASN A 18 -3.103 16.378 -3.525 1.00 63.54 N ATOM 0 H ASN A 18 -1.999 12.808 -4.173 1.00 61.50 H new ATOM 0 HA ASN A 18 -0.215 14.118 -2.370 1.00 63.40 H new ATOM 0 HB2 ASN A 18 -3.185 13.965 -2.781 1.00 41.25 H new ATOM 0 HB3 ASN A 18 -2.587 14.586 -1.256 1.00 41.25 H new ATOM 0 HD21 ASN A 18 -2.984 17.284 -3.979 1.00 63.54 H new ATOM 0 HD22 ASN A 18 -4.019 15.930 -3.513 1.00 63.54 H new ATOM 296 N ALA A 19 -1.766 11.413 -1.391 1.00 61.21 N ATOM 297 CA ALA A 19 -1.768 10.371 -0.377 1.00 21.32 C ATOM 298 C ALA A 19 -0.370 9.789 -0.204 1.00 61.41 C ATOM 299 O ALA A 19 0.103 9.619 0.917 1.00 33.32 O ATOM 300 CB ALA A 19 -2.761 9.278 -0.742 1.00 12.20 C ATOM 0 H ALA A 19 -2.314 11.193 -2.223 1.00 61.21 H new ATOM 0 HA ALA A 19 -2.074 10.813 0.571 1.00 21.32 H new ATOM 0 HB1 ALA A 19 -2.751 8.505 0.027 1.00 12.20 H new ATOM 0 HB2 ALA A 19 -3.761 9.705 -0.814 1.00 12.20 H new ATOM 0 HB3 ALA A 19 -2.483 8.840 -1.701 1.00 12.20 H new ATOM 306 N LEU A 20 0.292 9.515 -1.324 1.00 64.02 N ATOM 307 CA LEU A 20 1.621 8.910 -1.314 1.00 31.45 C ATOM 308 C LEU A 20 2.632 9.771 -0.566 1.00 3.15 C ATOM 309 O LEU A 20 3.329 9.280 0.320 1.00 32.11 O ATOM 310 CB LEU A 20 2.112 8.665 -2.739 1.00 24.30 C ATOM 311 CG LEU A 20 1.362 7.579 -3.511 1.00 32.02 C ATOM 312 CD1 LEU A 20 1.904 7.466 -4.927 1.00 63.15 C ATOM 313 CD2 LEU A 20 1.472 6.245 -2.789 1.00 30.33 C ATOM 0 H LEU A 20 -0.073 9.704 -2.257 1.00 64.02 H new ATOM 0 HA LEU A 20 1.534 7.957 -0.791 1.00 31.45 H new ATOM 0 HB2 LEU A 20 2.040 9.599 -3.296 1.00 24.30 H new ATOM 0 HB3 LEU A 20 3.168 8.397 -2.701 1.00 24.30 H new ATOM 0 HG LEU A 20 0.309 7.855 -3.566 1.00 32.02 H new ATOM 0 HD11 LEU A 20 1.360 6.689 -5.464 1.00 63.15 H new ATOM 0 HD12 LEU A 20 1.778 8.419 -5.442 1.00 63.15 H new ATOM 0 HD13 LEU A 20 2.963 7.210 -4.892 1.00 63.15 H new ATOM 0 HD21 LEU A 20 0.933 5.482 -3.351 1.00 30.33 H new ATOM 0 HD22 LEU A 20 2.521 5.962 -2.706 1.00 30.33 H new ATOM 0 HD23 LEU A 20 1.041 6.334 -1.792 1.00 30.33 H new ATOM 325 N GLN A 21 2.710 11.049 -0.917 1.00 51.41 N ATOM 326 CA GLN A 21 3.673 11.945 -0.286 1.00 31.13 C ATOM 327 C GLN A 21 3.374 12.100 1.202 1.00 22.41 C ATOM 328 O GLN A 21 4.291 12.180 2.017 1.00 4.11 O ATOM 329 CB GLN A 21 3.702 13.304 -0.994 1.00 42.13 C ATOM 330 CG GLN A 21 2.353 13.994 -1.080 1.00 4.34 C ATOM 331 CD GLN A 21 2.355 15.136 -2.073 1.00 61.41 C ATOM 332 OE1 GLN A 21 2.628 16.284 -1.725 1.00 64.41 O ATOM 333 NE2 GLN A 21 2.060 14.818 -3.322 1.00 72.43 N ATOM 0 H GLN A 21 2.124 11.486 -1.629 1.00 51.41 H new ATOM 0 HA GLN A 21 4.664 11.502 -0.382 1.00 31.13 H new ATOM 0 HB2 GLN A 21 4.399 13.958 -0.470 1.00 42.13 H new ATOM 0 HB3 GLN A 21 4.091 13.166 -2.003 1.00 42.13 H new ATOM 0 HG2 GLN A 21 1.593 13.267 -1.367 1.00 4.34 H new ATOM 0 HG3 GLN A 21 2.077 14.372 -0.096 1.00 4.34 H new ATOM 0 HE21 GLN A 21 1.840 13.852 -3.564 1.00 72.43 H new ATOM 0 HE22 GLN A 21 2.053 15.539 -4.044 1.00 72.43 H new ATOM 342 N ALA A 22 2.093 12.101 1.561 1.00 21.25 N ATOM 343 CA ALA A 22 1.700 12.158 2.965 1.00 51.31 C ATOM 344 C ALA A 22 2.113 10.875 3.681 1.00 12.11 C ATOM 345 O ALA A 22 2.509 10.900 4.846 1.00 52.30 O ATOM 346 CB ALA A 22 0.200 12.390 3.095 1.00 33.12 C ATOM 0 H ALA A 22 1.314 12.063 0.903 1.00 21.25 H new ATOM 0 HA ALA A 22 2.213 12.997 3.435 1.00 51.31 H new ATOM 0 HB1 ALA A 22 -0.072 12.429 4.150 1.00 33.12 H new ATOM 0 HB2 ALA A 22 -0.065 13.333 2.617 1.00 33.12 H new ATOM 0 HB3 ALA A 22 -0.338 11.574 2.612 1.00 33.12 H new ATOM 352 N LEU A 23 2.033 9.758 2.965 1.00 53.24 N ATOM 353 CA LEU A 23 2.428 8.457 3.495 1.00 51.11 C ATOM 354 C LEU A 23 3.934 8.387 3.710 1.00 41.33 C ATOM 355 O LEU A 23 4.395 7.974 4.771 1.00 44.33 O ATOM 356 CB LEU A 23 1.982 7.347 2.543 1.00 33.15 C ATOM 357 CG LEU A 23 0.484 7.055 2.553 1.00 32.42 C ATOM 358 CD1 LEU A 23 0.077 6.303 1.297 1.00 75.45 C ATOM 359 CD2 LEU A 23 0.122 6.249 3.785 1.00 74.02 C ATOM 0 H LEU A 23 1.694 9.729 2.004 1.00 53.24 H new ATOM 0 HA LEU A 23 1.941 8.320 4.460 1.00 51.11 H new ATOM 0 HB2 LEU A 23 2.278 7.617 1.529 1.00 33.15 H new ATOM 0 HB3 LEU A 23 2.517 6.432 2.798 1.00 33.15 H new ATOM 0 HG LEU A 23 -0.055 8.002 2.576 1.00 32.42 H new ATOM 0 HD11 LEU A 23 -0.994 6.104 1.323 1.00 75.45 H new ATOM 0 HD12 LEU A 23 0.313 6.905 0.420 1.00 75.45 H new ATOM 0 HD13 LEU A 23 0.620 5.359 1.246 1.00 75.45 H new ATOM 0 HD21 LEU A 23 -0.949 6.045 3.785 1.00 74.02 H new ATOM 0 HD22 LEU A 23 0.671 5.307 3.778 1.00 74.02 H new ATOM 0 HD23 LEU A 23 0.383 6.815 4.679 1.00 74.02 H new ATOM 371 N GLU A 24 4.694 8.810 2.705 1.00 15.33 N ATOM 372 CA GLU A 24 6.151 8.788 2.784 1.00 70.41 C ATOM 373 C GLU A 24 6.647 9.683 3.916 1.00 24.53 C ATOM 374 O GLU A 24 7.623 9.365 4.598 1.00 10.31 O ATOM 375 CB GLU A 24 6.767 9.219 1.451 1.00 53.04 C ATOM 376 CG GLU A 24 6.354 8.341 0.283 1.00 11.22 C ATOM 377 CD GLU A 24 7.107 8.662 -0.990 1.00 41.24 C ATOM 378 OE1 GLU A 24 6.772 9.669 -1.650 1.00 74.21 O ATOM 379 OE2 GLU A 24 8.042 7.906 -1.338 1.00 24.42 O ATOM 0 H GLU A 24 4.325 9.172 1.826 1.00 15.33 H new ATOM 0 HA GLU A 24 6.464 7.766 2.996 1.00 70.41 H new ATOM 0 HB2 GLU A 24 6.478 10.249 1.242 1.00 53.04 H new ATOM 0 HB3 GLU A 24 7.853 9.205 1.540 1.00 53.04 H new ATOM 0 HG2 GLU A 24 6.520 7.296 0.544 1.00 11.22 H new ATOM 0 HG3 GLU A 24 5.285 8.459 0.106 1.00 11.22 H new ATOM 386 N GLU A 25 5.961 10.798 4.126 1.00 63.13 N ATOM 387 CA GLU A 25 6.294 11.695 5.226 1.00 74.02 C ATOM 388 C GLU A 25 5.869 11.090 6.559 1.00 32.44 C ATOM 389 O GLU A 25 6.545 11.262 7.574 1.00 41.42 O ATOM 390 CB GLU A 25 5.640 13.063 5.038 1.00 33.13 C ATOM 391 CG GLU A 25 6.176 13.835 3.844 1.00 72.55 C ATOM 392 CD GLU A 25 7.678 14.034 3.903 1.00 74.21 C ATOM 393 OE1 GLU A 25 8.154 14.745 4.815 1.00 11.55 O ATOM 394 OE2 GLU A 25 8.397 13.470 3.046 1.00 4.44 O ATOM 0 H GLU A 25 5.174 11.103 3.553 1.00 63.13 H new ATOM 0 HA GLU A 25 7.376 11.830 5.230 1.00 74.02 H new ATOM 0 HB2 GLU A 25 4.565 12.929 4.920 1.00 33.13 H new ATOM 0 HB3 GLU A 25 5.791 13.655 5.940 1.00 33.13 H new ATOM 0 HG2 GLU A 25 5.920 13.303 2.928 1.00 72.55 H new ATOM 0 HG3 GLU A 25 5.686 14.808 3.796 1.00 72.55 H new ATOM 401 N PHE A 26 4.753 10.366 6.547 1.00 23.04 N ATOM 402 CA PHE A 26 4.263 9.683 7.740 1.00 31.14 C ATOM 403 C PHE A 26 5.298 8.674 8.230 1.00 24.52 C ATOM 404 O PHE A 26 5.553 8.563 9.432 1.00 21.43 O ATOM 405 CB PHE A 26 2.935 8.977 7.436 1.00 42.14 C ATOM 406 CG PHE A 26 2.285 8.339 8.636 1.00 0.01 C ATOM 407 CD1 PHE A 26 2.599 7.040 9.009 1.00 52.25 C ATOM 408 CD2 PHE A 26 1.355 9.040 9.386 1.00 11.22 C ATOM 409 CE1 PHE A 26 2.000 6.458 10.110 1.00 74.34 C ATOM 410 CE2 PHE A 26 0.754 8.461 10.486 1.00 62.11 C ATOM 411 CZ PHE A 26 1.076 7.169 10.848 1.00 54.45 C ATOM 0 H PHE A 26 4.169 10.237 5.721 1.00 23.04 H new ATOM 0 HA PHE A 26 4.095 10.421 8.525 1.00 31.14 H new ATOM 0 HB2 PHE A 26 2.243 9.700 7.004 1.00 42.14 H new ATOM 0 HB3 PHE A 26 3.109 8.211 6.681 1.00 42.14 H new ATOM 0 HD1 PHE A 26 3.319 6.478 8.433 1.00 52.25 H new ATOM 0 HD2 PHE A 26 1.097 10.051 9.107 1.00 11.22 H new ATOM 0 HE1 PHE A 26 2.255 5.447 10.393 1.00 74.34 H new ATOM 0 HE2 PHE A 26 0.032 9.019 11.063 1.00 62.11 H new ATOM 0 HZ PHE A 26 0.606 6.715 11.708 1.00 54.45 H new ATOM 421 N LEU A 27 5.907 7.962 7.283 1.00 54.25 N ATOM 422 CA LEU A 27 6.939 6.971 7.589 1.00 42.22 C ATOM 423 C LEU A 27 8.072 7.596 8.400 1.00 3.14 C ATOM 424 O LEU A 27 8.682 6.942 9.248 1.00 72.13 O ATOM 425 CB LEU A 27 7.516 6.383 6.296 1.00 33.11 C ATOM 426 CG LEU A 27 6.495 5.812 5.308 1.00 22.32 C ATOM 427 CD1 LEU A 27 7.190 5.335 4.042 1.00 64.51 C ATOM 428 CD2 LEU A 27 5.709 4.676 5.940 1.00 43.01 C ATOM 0 H LEU A 27 5.701 8.054 6.288 1.00 54.25 H new ATOM 0 HA LEU A 27 6.474 6.179 8.176 1.00 42.22 H new ATOM 0 HB2 LEU A 27 8.088 7.161 5.789 1.00 33.11 H new ATOM 0 HB3 LEU A 27 8.218 5.592 6.561 1.00 33.11 H new ATOM 0 HG LEU A 27 5.796 6.606 5.044 1.00 22.32 H new ATOM 0 HD11 LEU A 27 6.450 4.932 3.350 1.00 64.51 H new ATOM 0 HD12 LEU A 27 7.707 6.172 3.573 1.00 64.51 H new ATOM 0 HD13 LEU A 27 7.912 4.558 4.294 1.00 64.51 H new ATOM 0 HD21 LEU A 27 4.990 4.286 5.220 1.00 43.01 H new ATOM 0 HD22 LEU A 27 6.393 3.881 6.236 1.00 43.01 H new ATOM 0 HD23 LEU A 27 5.179 5.045 6.818 1.00 43.01 H new ATOM 440 N GLN A 28 8.341 8.866 8.129 1.00 14.45 N ATOM 441 CA GLN A 28 9.434 9.582 8.767 1.00 21.23 C ATOM 442 C GLN A 28 9.014 10.148 10.116 1.00 43.22 C ATOM 443 O GLN A 28 9.780 10.117 11.080 1.00 21.12 O ATOM 444 CB GLN A 28 9.900 10.723 7.863 1.00 3.51 C ATOM 445 CG GLN A 28 10.501 10.260 6.547 1.00 43.11 C ATOM 446 CD GLN A 28 10.579 11.375 5.528 1.00 42.43 C ATOM 447 OE1 GLN A 28 11.558 12.117 5.469 1.00 62.42 O ATOM 448 NE2 GLN A 28 9.552 11.487 4.704 1.00 1.50 N ATOM 0 H GLN A 28 7.809 9.426 7.463 1.00 14.45 H new ATOM 0 HA GLN A 28 10.249 8.876 8.929 1.00 21.23 H new ATOM 0 HB2 GLN A 28 9.053 11.377 7.654 1.00 3.51 H new ATOM 0 HB3 GLN A 28 10.639 11.319 8.399 1.00 3.51 H new ATOM 0 HG2 GLN A 28 11.501 9.864 6.726 1.00 43.11 H new ATOM 0 HG3 GLN A 28 9.902 9.444 6.144 1.00 43.11 H new ATOM 0 HE21 GLN A 28 8.759 10.850 4.787 1.00 1.50 H new ATOM 0 HE22 GLN A 28 9.552 12.210 3.985 1.00 1.50 H new ATOM 457 N THR A 29 7.792 10.659 10.187 1.00 73.53 N ATOM 458 CA THR A 29 7.342 11.382 11.367 1.00 33.21 C ATOM 459 C THR A 29 6.906 10.440 12.491 1.00 2.21 C ATOM 460 O THR A 29 6.973 10.801 13.664 1.00 21.42 O ATOM 461 CB THR A 29 6.198 12.367 11.028 1.00 54.04 C ATOM 462 OG1 THR A 29 5.932 13.221 12.149 1.00 33.22 O ATOM 463 CG2 THR A 29 4.923 11.634 10.634 1.00 45.24 C ATOM 0 H THR A 29 7.097 10.586 9.444 1.00 73.53 H new ATOM 0 HA THR A 29 8.200 11.953 11.721 1.00 33.21 H new ATOM 0 HB THR A 29 6.523 12.966 10.177 1.00 54.04 H new ATOM 0 HG1 THR A 29 5.208 13.841 11.923 1.00 33.22 H new ATOM 0 HG21 THR A 29 4.143 12.359 10.403 1.00 45.24 H new ATOM 0 HG22 THR A 29 5.115 11.016 9.757 1.00 45.24 H new ATOM 0 HG23 THR A 29 4.597 11.001 11.459 1.00 45.24 H new ATOM 471 N GLU A 30 6.463 9.241 12.142 1.00 62.32 N ATOM 472 CA GLU A 30 6.060 8.265 13.143 1.00 23.45 C ATOM 473 C GLU A 30 6.060 6.854 12.560 1.00 63.25 C ATOM 474 O GLU A 30 5.116 6.432 11.893 1.00 12.31 O ATOM 475 CB GLU A 30 4.693 8.625 13.740 1.00 25.21 C ATOM 476 CG GLU A 30 3.625 8.946 12.705 1.00 72.11 C ATOM 477 CD GLU A 30 2.382 9.546 13.326 1.00 24.34 C ATOM 478 OE1 GLU A 30 1.744 8.875 14.163 1.00 42.43 O ATOM 479 OE2 GLU A 30 2.036 10.696 12.979 1.00 53.31 O ATOM 0 H GLU A 30 6.374 8.922 11.177 1.00 62.32 H new ATOM 0 HA GLU A 30 6.790 8.287 13.952 1.00 23.45 H new ATOM 0 HB2 GLU A 30 4.348 7.794 14.356 1.00 25.21 H new ATOM 0 HB3 GLU A 30 4.812 9.484 14.401 1.00 25.21 H new ATOM 0 HG2 GLU A 30 4.032 9.640 11.970 1.00 72.11 H new ATOM 0 HG3 GLU A 30 3.357 8.036 12.169 1.00 72.11 H new ATOM 486 N PRO A 31 7.147 6.109 12.805 1.00 53.53 N ATOM 487 CA PRO A 31 7.328 4.751 12.276 1.00 70.32 C ATOM 488 C PRO A 31 6.394 3.725 12.912 1.00 51.45 C ATOM 489 O PRO A 31 6.348 2.571 12.490 1.00 61.15 O ATOM 490 CB PRO A 31 8.783 4.427 12.628 1.00 50.35 C ATOM 491 CG PRO A 31 9.086 5.281 13.808 1.00 12.12 C ATOM 492 CD PRO A 31 8.305 6.546 13.607 1.00 40.55 C ATOM 0 HA PRO A 31 7.101 4.708 11.211 1.00 70.32 H new ATOM 0 HB2 PRO A 31 8.908 3.370 12.862 1.00 50.35 H new ATOM 0 HB3 PRO A 31 9.451 4.650 11.796 1.00 50.35 H new ATOM 0 HG2 PRO A 31 8.796 4.785 14.734 1.00 12.12 H new ATOM 0 HG3 PRO A 31 10.154 5.487 13.878 1.00 12.12 H new ATOM 0 HD2 PRO A 31 7.995 6.982 14.557 1.00 40.55 H new ATOM 0 HD3 PRO A 31 8.892 7.302 13.086 1.00 40.55 H new ATOM 500 N VAL A 32 5.643 4.157 13.911 1.00 1.44 N ATOM 501 CA VAL A 32 4.782 3.261 14.674 1.00 2.22 C ATOM 502 C VAL A 32 3.578 2.787 13.850 1.00 43.34 C ATOM 503 O VAL A 32 2.984 1.748 14.142 1.00 34.52 O ATOM 504 CB VAL A 32 4.300 3.948 15.974 1.00 54.02 C ATOM 505 CG1 VAL A 32 3.431 5.163 15.669 1.00 4.35 C ATOM 506 CG2 VAL A 32 3.564 2.965 16.872 1.00 75.22 C ATOM 0 H VAL A 32 5.611 5.130 14.216 1.00 1.44 H new ATOM 0 HA VAL A 32 5.375 2.383 14.932 1.00 2.22 H new ATOM 0 HB VAL A 32 5.183 4.297 16.509 1.00 54.02 H new ATOM 0 HG11 VAL A 32 3.108 5.623 16.603 1.00 4.35 H new ATOM 0 HG12 VAL A 32 4.005 5.885 15.088 1.00 4.35 H new ATOM 0 HG13 VAL A 32 2.557 4.851 15.097 1.00 4.35 H new ATOM 0 HG21 VAL A 32 3.237 3.475 17.778 1.00 75.22 H new ATOM 0 HG22 VAL A 32 2.696 2.570 16.344 1.00 75.22 H new ATOM 0 HG23 VAL A 32 4.231 2.145 17.138 1.00 75.22 H new ATOM 516 N GLY A 33 3.223 3.544 12.819 1.00 41.54 N ATOM 517 CA GLY A 33 2.070 3.191 12.015 1.00 33.12 C ATOM 518 C GLY A 33 2.409 3.006 10.552 1.00 32.43 C ATOM 519 O GLY A 33 1.579 3.263 9.678 1.00 42.14 O ATOM 0 H GLY A 33 3.710 4.391 12.527 1.00 41.54 H new ATOM 0 HA2 GLY A 33 1.632 2.270 12.401 1.00 33.12 H new ATOM 0 HA3 GLY A 33 1.313 3.969 12.112 1.00 33.12 H new ATOM 523 N LYS A 34 3.622 2.546 10.280 1.00 2.31 N ATOM 524 CA LYS A 34 4.081 2.390 8.907 1.00 12.54 C ATOM 525 C LYS A 34 3.442 1.182 8.241 1.00 15.30 C ATOM 526 O LYS A 34 3.323 1.141 7.021 1.00 4.23 O ATOM 527 CB LYS A 34 5.602 2.280 8.842 1.00 44.24 C ATOM 528 CG LYS A 34 6.317 3.554 9.255 1.00 10.44 C ATOM 529 CD LYS A 34 7.797 3.495 8.923 1.00 52.23 C ATOM 530 CE LYS A 34 8.484 2.338 9.627 1.00 55.20 C ATOM 531 NZ LYS A 34 9.933 2.284 9.307 1.00 3.13 N ATOM 0 H LYS A 34 4.304 2.275 10.989 1.00 2.31 H new ATOM 0 HA LYS A 34 3.774 3.283 8.363 1.00 12.54 H new ATOM 0 HB2 LYS A 34 5.928 1.464 9.487 1.00 44.24 H new ATOM 0 HB3 LYS A 34 5.897 2.020 7.825 1.00 44.24 H new ATOM 0 HG2 LYS A 34 5.864 4.407 8.750 1.00 10.44 H new ATOM 0 HG3 LYS A 34 6.189 3.713 10.326 1.00 10.44 H new ATOM 0 HD2 LYS A 34 7.925 3.393 7.845 1.00 52.23 H new ATOM 0 HD3 LYS A 34 8.273 4.432 9.213 1.00 52.23 H new ATOM 0 HE2 LYS A 34 8.353 2.438 10.704 1.00 55.20 H new ATOM 0 HE3 LYS A 34 8.011 1.401 9.334 1.00 55.20 H new ATOM 0 HZ1 LYS A 34 10.369 1.482 9.805 1.00 3.13 H new ATOM 0 HZ2 LYS A 34 10.058 2.164 8.282 1.00 3.13 H new ATOM 0 HZ3 LYS A 34 10.389 3.168 9.610 1.00 3.13 H new ATOM 545 N ASP A 35 3.033 0.200 9.036 1.00 33.32 N ATOM 546 CA ASP A 35 2.353 -0.976 8.499 1.00 44.15 C ATOM 547 C ASP A 35 1.014 -0.574 7.888 1.00 3.41 C ATOM 548 O ASP A 35 0.634 -1.060 6.821 1.00 34.24 O ATOM 549 CB ASP A 35 2.164 -2.050 9.581 1.00 51.43 C ATOM 550 CG ASP A 35 1.322 -1.589 10.758 1.00 1.40 C ATOM 551 OD1 ASP A 35 1.792 -0.724 11.528 1.00 11.54 O ATOM 552 OD2 ASP A 35 0.194 -2.102 10.928 1.00 15.11 O ATOM 0 H ASP A 35 3.158 0.193 10.048 1.00 33.32 H new ATOM 0 HA ASP A 35 2.977 -1.407 7.716 1.00 44.15 H new ATOM 0 HB2 ASP A 35 1.697 -2.927 9.133 1.00 51.43 H new ATOM 0 HB3 ASP A 35 3.143 -2.362 9.946 1.00 51.43 H new ATOM 557 N GLU A 36 0.320 0.338 8.556 1.00 45.24 N ATOM 558 CA GLU A 36 -0.918 0.898 8.034 1.00 15.30 C ATOM 559 C GLU A 36 -0.612 1.754 6.808 1.00 74.33 C ATOM 560 O GLU A 36 -1.329 1.718 5.809 1.00 73.33 O ATOM 561 CB GLU A 36 -1.600 1.751 9.108 1.00 60.13 C ATOM 562 CG GLU A 36 -3.007 2.213 8.747 1.00 63.11 C ATOM 563 CD GLU A 36 -4.045 1.118 8.893 1.00 21.30 C ATOM 564 OE1 GLU A 36 -3.926 0.304 9.834 1.00 71.44 O ATOM 565 OE2 GLU A 36 -5.011 1.094 8.098 1.00 73.25 O ATOM 0 H GLU A 36 0.596 0.707 9.466 1.00 45.24 H new ATOM 0 HA GLU A 36 -1.588 0.087 7.750 1.00 15.30 H new ATOM 0 HB2 GLU A 36 -1.645 1.179 10.034 1.00 60.13 H new ATOM 0 HB3 GLU A 36 -0.982 2.627 9.305 1.00 60.13 H new ATOM 0 HG2 GLU A 36 -3.282 3.054 9.384 1.00 63.11 H new ATOM 0 HG3 GLU A 36 -3.012 2.576 7.719 1.00 63.11 H new ATOM 572 N ALA A 37 0.480 2.510 6.897 1.00 62.43 N ATOM 573 CA ALA A 37 0.902 3.396 5.822 1.00 52.13 C ATOM 574 C ALA A 37 1.246 2.619 4.553 1.00 4.33 C ATOM 575 O ALA A 37 0.714 2.910 3.487 1.00 51.51 O ATOM 576 CB ALA A 37 2.085 4.237 6.270 1.00 73.12 C ATOM 0 H ALA A 37 1.092 2.524 7.713 1.00 62.43 H new ATOM 0 HA ALA A 37 0.067 4.055 5.585 1.00 52.13 H new ATOM 0 HB1 ALA A 37 2.392 4.896 5.457 1.00 73.12 H new ATOM 0 HB2 ALA A 37 1.799 4.836 7.134 1.00 73.12 H new ATOM 0 HB3 ALA A 37 2.915 3.583 6.540 1.00 73.12 H new ATOM 582 N TYR A 38 2.123 1.622 4.674 1.00 63.32 N ATOM 583 CA TYR A 38 2.539 0.822 3.523 1.00 14.12 C ATOM 584 C TYR A 38 1.350 0.108 2.890 1.00 73.44 C ATOM 585 O TYR A 38 1.306 -0.079 1.670 1.00 35.11 O ATOM 586 CB TYR A 38 3.612 -0.191 3.917 1.00 53.42 C ATOM 587 CG TYR A 38 5.010 0.386 3.940 1.00 53.04 C ATOM 588 CD1 TYR A 38 5.650 0.730 2.757 1.00 32.22 C ATOM 589 CD2 TYR A 38 5.688 0.585 5.134 1.00 43.25 C ATOM 590 CE1 TYR A 38 6.927 1.258 2.763 1.00 54.24 C ATOM 591 CE2 TYR A 38 6.965 1.112 5.150 1.00 2.21 C ATOM 592 CZ TYR A 38 7.581 1.447 3.962 1.00 11.12 C ATOM 593 OH TYR A 38 8.860 1.965 3.975 1.00 54.13 O ATOM 0 H TYR A 38 2.558 1.350 5.556 1.00 63.32 H new ATOM 0 HA TYR A 38 2.962 1.505 2.787 1.00 14.12 H new ATOM 0 HB2 TYR A 38 3.377 -0.592 4.903 1.00 53.42 H new ATOM 0 HB3 TYR A 38 3.584 -1.027 3.218 1.00 53.42 H new ATOM 0 HD1 TYR A 38 5.141 0.582 1.816 1.00 32.22 H new ATOM 0 HD2 TYR A 38 5.210 0.324 6.066 1.00 43.25 H new ATOM 0 HE1 TYR A 38 7.410 1.521 1.834 1.00 54.24 H new ATOM 0 HE2 TYR A 38 7.479 1.261 6.088 1.00 2.21 H new ATOM 0 HH TYR A 38 9.175 2.035 4.900 1.00 54.13 H new ATOM 603 N TYR A 39 0.386 -0.285 3.719 1.00 72.42 N ATOM 604 CA TYR A 39 -0.855 -0.865 3.222 1.00 74.23 C ATOM 605 C TYR A 39 -1.560 0.134 2.306 1.00 13.34 C ATOM 606 O TYR A 39 -2.000 -0.211 1.209 1.00 70.12 O ATOM 607 CB TYR A 39 -1.774 -1.248 4.389 1.00 22.43 C ATOM 608 CG TYR A 39 -3.098 -1.850 3.967 1.00 23.31 C ATOM 609 CD1 TYR A 39 -3.215 -3.211 3.710 1.00 53.23 C ATOM 610 CD2 TYR A 39 -4.235 -1.059 3.833 1.00 4.24 C ATOM 611 CE1 TYR A 39 -4.423 -3.764 3.332 1.00 54.11 C ATOM 612 CE2 TYR A 39 -5.445 -1.608 3.454 1.00 61.03 C ATOM 613 CZ TYR A 39 -5.534 -2.960 3.206 1.00 1.42 C ATOM 614 OH TYR A 39 -6.740 -3.511 2.831 1.00 33.33 O ATOM 0 H TYR A 39 0.442 -0.212 4.735 1.00 72.42 H new ATOM 0 HA TYR A 39 -0.620 -1.767 2.657 1.00 74.23 H new ATOM 0 HB2 TYR A 39 -1.252 -1.959 5.029 1.00 22.43 H new ATOM 0 HB3 TYR A 39 -1.967 -0.360 4.991 1.00 22.43 H new ATOM 0 HD1 TYR A 39 -2.347 -3.846 3.807 1.00 53.23 H new ATOM 0 HD2 TYR A 39 -4.171 0.001 4.028 1.00 4.24 H new ATOM 0 HE1 TYR A 39 -4.496 -4.824 3.136 1.00 54.11 H new ATOM 0 HE2 TYR A 39 -6.317 -0.980 3.353 1.00 61.03 H new ATOM 0 HH TYR A 39 -7.422 -2.808 2.790 1.00 33.33 H new ATOM 624 N LEU A 40 -1.637 1.379 2.767 1.00 74.52 N ATOM 625 CA LEU A 40 -2.263 2.451 2.005 1.00 30.20 C ATOM 626 C LEU A 40 -1.443 2.787 0.765 1.00 23.21 C ATOM 627 O LEU A 40 -1.998 3.056 -0.297 1.00 54.22 O ATOM 628 CB LEU A 40 -2.424 3.701 2.876 1.00 33.33 C ATOM 629 CG LEU A 40 -3.274 3.509 4.132 1.00 14.25 C ATOM 630 CD1 LEU A 40 -3.366 4.810 4.918 1.00 31.01 C ATOM 631 CD2 LEU A 40 -4.658 3.004 3.759 1.00 30.43 C ATOM 0 H LEU A 40 -1.270 1.670 3.673 1.00 74.52 H new ATOM 0 HA LEU A 40 -3.248 2.108 1.688 1.00 30.20 H new ATOM 0 HB2 LEU A 40 -1.434 4.047 3.175 1.00 33.33 H new ATOM 0 HB3 LEU A 40 -2.869 4.491 2.272 1.00 33.33 H new ATOM 0 HG LEU A 40 -2.796 2.763 4.767 1.00 14.25 H new ATOM 0 HD11 LEU A 40 -3.975 4.655 5.809 1.00 31.01 H new ATOM 0 HD12 LEU A 40 -2.366 5.128 5.213 1.00 31.01 H new ATOM 0 HD13 LEU A 40 -3.823 5.579 4.296 1.00 31.01 H new ATOM 0 HD21 LEU A 40 -5.253 2.872 4.663 1.00 30.43 H new ATOM 0 HD22 LEU A 40 -5.146 3.728 3.106 1.00 30.43 H new ATOM 0 HD23 LEU A 40 -4.569 2.050 3.240 1.00 30.43 H new ATOM 643 N MET A 41 -0.123 2.761 0.907 1.00 51.45 N ATOM 644 CA MET A 41 0.774 3.051 -0.205 1.00 61.45 C ATOM 645 C MET A 41 0.558 2.050 -1.329 1.00 32.01 C ATOM 646 O MET A 41 0.328 2.433 -2.476 1.00 5.22 O ATOM 647 CB MET A 41 2.234 3.021 0.253 1.00 64.41 C ATOM 648 CG MET A 41 2.529 3.996 1.382 1.00 33.40 C ATOM 649 SD MET A 41 4.234 3.942 1.964 1.00 15.35 S ATOM 650 CE MET A 41 5.041 4.959 0.731 1.00 23.01 C ATOM 0 H MET A 41 0.351 2.542 1.783 1.00 51.45 H new ATOM 0 HA MET A 41 0.550 4.052 -0.574 1.00 61.45 H new ATOM 0 HB2 MET A 41 2.485 2.012 0.579 1.00 64.41 H new ATOM 0 HB3 MET A 41 2.879 3.252 -0.595 1.00 64.41 H new ATOM 0 HG2 MET A 41 2.302 5.007 1.045 1.00 33.40 H new ATOM 0 HG3 MET A 41 1.863 3.782 2.218 1.00 33.40 H new ATOM 0 HE1 MET A 41 6.106 5.023 0.953 1.00 23.01 H new ATOM 0 HE2 MET A 41 4.902 4.515 -0.255 1.00 23.01 H new ATOM 0 HE3 MET A 41 4.607 5.959 0.743 1.00 23.01 H new ATOM 660 N GLY A 42 0.603 0.767 -0.987 1.00 51.21 N ATOM 661 CA GLY A 42 0.358 -0.271 -1.968 1.00 65.44 C ATOM 662 C GLY A 42 -1.035 -0.180 -2.551 1.00 61.34 C ATOM 663 O GLY A 42 -1.243 -0.459 -3.730 1.00 2.22 O ATOM 0 H GLY A 42 0.805 0.428 -0.046 1.00 51.21 H new ATOM 0 HA2 GLY A 42 1.093 -0.193 -2.770 1.00 65.44 H new ATOM 0 HA3 GLY A 42 0.494 -1.248 -1.504 1.00 65.44 H new ATOM 667 N ASN A 43 -1.987 0.234 -1.722 1.00 3.55 N ATOM 668 CA ASN A 43 -3.375 0.385 -2.145 1.00 63.02 C ATOM 669 C ASN A 43 -3.510 1.537 -3.141 1.00 60.12 C ATOM 670 O ASN A 43 -4.318 1.485 -4.070 1.00 63.51 O ATOM 671 CB ASN A 43 -4.266 0.634 -0.925 1.00 63.32 C ATOM 672 CG ASN A 43 -5.747 0.549 -1.238 1.00 44.22 C ATOM 673 OD1 ASN A 43 -6.166 -0.191 -2.126 1.00 33.43 O ATOM 674 ND2 ASN A 43 -6.547 1.307 -0.503 1.00 63.05 N ATOM 0 H ASN A 43 -1.821 0.473 -0.744 1.00 3.55 H new ATOM 0 HA ASN A 43 -3.693 -0.534 -2.637 1.00 63.02 H new ATOM 0 HB2 ASN A 43 -4.023 -0.094 -0.151 1.00 63.32 H new ATOM 0 HB3 ASN A 43 -4.044 1.620 -0.516 1.00 63.32 H new ATOM 0 HD21 ASN A 43 -7.554 1.291 -0.664 1.00 63.05 H new ATOM 0 HD22 ASN A 43 -6.156 1.906 0.224 1.00 63.05 H new ATOM 681 N ALA A 44 -2.703 2.572 -2.946 1.00 5.22 N ATOM 682 CA ALA A 44 -2.698 3.723 -3.839 1.00 22.10 C ATOM 683 C ALA A 44 -2.135 3.346 -5.209 1.00 61.33 C ATOM 684 O ALA A 44 -2.734 3.652 -6.241 1.00 60.42 O ATOM 685 CB ALA A 44 -1.901 4.863 -3.226 1.00 41.33 C ATOM 0 H ALA A 44 -2.040 2.638 -2.173 1.00 5.22 H new ATOM 0 HA ALA A 44 -3.727 4.055 -3.978 1.00 22.10 H new ATOM 0 HB1 ALA A 44 -1.906 5.716 -3.904 1.00 41.33 H new ATOM 0 HB2 ALA A 44 -2.351 5.152 -2.276 1.00 41.33 H new ATOM 0 HB3 ALA A 44 -0.874 4.539 -3.057 1.00 41.33 H new ATOM 691 N TYR A 45 -0.986 2.673 -5.211 1.00 43.24 N ATOM 692 CA TYR A 45 -0.387 2.178 -6.453 1.00 51.24 C ATOM 693 C TYR A 45 -1.324 1.187 -7.138 1.00 62.04 C ATOM 694 O TYR A 45 -1.386 1.112 -8.366 1.00 13.42 O ATOM 695 CB TYR A 45 0.960 1.505 -6.183 1.00 12.22 C ATOM 696 CG TYR A 45 2.059 2.453 -5.756 1.00 54.43 C ATOM 697 CD1 TYR A 45 2.662 3.307 -6.671 1.00 33.02 C ATOM 698 CD2 TYR A 45 2.502 2.481 -4.443 1.00 13.32 C ATOM 699 CE1 TYR A 45 3.679 4.161 -6.288 1.00 73.34 C ATOM 700 CE2 TYR A 45 3.519 3.328 -4.050 1.00 3.02 C ATOM 701 CZ TYR A 45 4.104 4.168 -4.975 1.00 24.21 C ATOM 702 OH TYR A 45 5.123 5.005 -4.588 1.00 21.00 O ATOM 0 H TYR A 45 -0.451 2.457 -4.370 1.00 43.24 H new ATOM 0 HA TYR A 45 -0.225 3.034 -7.108 1.00 51.24 H new ATOM 0 HB2 TYR A 45 0.826 0.751 -5.408 1.00 12.22 H new ATOM 0 HB3 TYR A 45 1.278 0.982 -7.085 1.00 12.22 H new ATOM 0 HD1 TYR A 45 2.330 3.303 -7.699 1.00 33.02 H new ATOM 0 HD2 TYR A 45 2.044 1.829 -3.714 1.00 13.32 H new ATOM 0 HE1 TYR A 45 4.138 4.818 -7.011 1.00 73.34 H new ATOM 0 HE2 TYR A 45 3.855 3.333 -3.024 1.00 3.02 H new ATOM 0 HH TYR A 45 5.298 4.886 -3.631 1.00 21.00 H new ATOM 712 N ARG A 46 -2.050 0.436 -6.322 1.00 31.21 N ATOM 713 CA ARG A 46 -3.058 -0.505 -6.796 1.00 40.22 C ATOM 714 C ARG A 46 -4.136 0.212 -7.611 1.00 31.34 C ATOM 715 O ARG A 46 -4.581 -0.286 -8.642 1.00 62.45 O ATOM 716 CB ARG A 46 -3.663 -1.215 -5.583 1.00 41.42 C ATOM 717 CG ARG A 46 -4.943 -1.979 -5.849 1.00 65.42 C ATOM 718 CD ARG A 46 -5.453 -2.602 -4.562 1.00 34.11 C ATOM 719 NE ARG A 46 -6.835 -3.054 -4.658 1.00 24.30 N ATOM 720 CZ ARG A 46 -7.491 -3.620 -3.647 1.00 20.03 C ATOM 721 NH1 ARG A 46 -6.872 -3.817 -2.485 1.00 41.32 N ATOM 722 NH2 ARG A 46 -8.759 -3.979 -3.796 1.00 3.42 N ATOM 0 H ARG A 46 -1.957 0.462 -5.307 1.00 31.21 H new ATOM 0 HA ARG A 46 -2.596 -1.239 -7.457 1.00 40.22 H new ATOM 0 HB2 ARG A 46 -2.923 -1.908 -5.182 1.00 41.42 H new ATOM 0 HB3 ARG A 46 -3.857 -0.473 -4.808 1.00 41.42 H new ATOM 0 HG2 ARG A 46 -5.697 -1.309 -6.262 1.00 65.42 H new ATOM 0 HG3 ARG A 46 -4.765 -2.756 -6.593 1.00 65.42 H new ATOM 0 HD2 ARG A 46 -4.818 -3.447 -4.297 1.00 34.11 H new ATOM 0 HD3 ARG A 46 -5.369 -1.875 -3.754 1.00 34.11 H new ATOM 0 HE ARG A 46 -7.324 -2.931 -5.544 1.00 24.30 H new ATOM 0 HH11 ARG A 46 -5.898 -3.535 -2.371 1.00 41.32 H new ATOM 0 HH12 ARG A 46 -7.371 -4.250 -1.708 1.00 41.32 H new ATOM 0 HH21 ARG A 46 -9.232 -3.822 -4.686 1.00 3.42 H new ATOM 0 HH22 ARG A 46 -9.261 -4.413 -3.021 1.00 3.42 H new ATOM 736 N LYS A 47 -4.538 1.391 -7.148 1.00 42.05 N ATOM 737 CA LYS A 47 -5.520 2.202 -7.863 1.00 53.51 C ATOM 738 C LYS A 47 -4.903 2.875 -9.084 1.00 62.00 C ATOM 739 O LYS A 47 -5.617 3.299 -9.993 1.00 43.53 O ATOM 740 CB LYS A 47 -6.136 3.251 -6.937 1.00 13.14 C ATOM 741 CG LYS A 47 -7.195 2.682 -6.013 1.00 13.04 C ATOM 742 CD LYS A 47 -7.735 3.737 -5.065 1.00 11.30 C ATOM 743 CE LYS A 47 -8.974 3.245 -4.335 1.00 24.13 C ATOM 744 NZ LYS A 47 -10.155 3.174 -5.235 1.00 23.12 N ATOM 0 H LYS A 47 -4.199 1.807 -6.281 1.00 42.05 H new ATOM 0 HA LYS A 47 -6.308 1.533 -8.207 1.00 53.51 H new ATOM 0 HB2 LYS A 47 -5.347 3.706 -6.338 1.00 13.14 H new ATOM 0 HB3 LYS A 47 -6.577 4.045 -7.540 1.00 13.14 H new ATOM 0 HG2 LYS A 47 -8.013 2.271 -6.605 1.00 13.04 H new ATOM 0 HG3 LYS A 47 -6.772 1.858 -5.438 1.00 13.04 H new ATOM 0 HD2 LYS A 47 -6.966 4.005 -4.340 1.00 11.30 H new ATOM 0 HD3 LYS A 47 -7.975 4.642 -5.624 1.00 11.30 H new ATOM 0 HE2 LYS A 47 -8.779 2.259 -3.913 1.00 24.13 H new ATOM 0 HE3 LYS A 47 -9.193 3.912 -3.501 1.00 24.13 H new ATOM 0 HZ1 LYS A 47 -11.017 3.051 -4.667 1.00 23.12 H new ATOM 0 HZ2 LYS A 47 -10.226 4.054 -5.785 1.00 23.12 H new ATOM 0 HZ3 LYS A 47 -10.049 2.368 -5.883 1.00 23.12 H new ATOM 758 N LEU A 48 -3.582 2.985 -9.094 1.00 63.11 N ATOM 759 CA LEU A 48 -2.869 3.523 -10.250 1.00 2.13 C ATOM 760 C LEU A 48 -2.750 2.461 -11.336 1.00 61.22 C ATOM 761 O LEU A 48 -2.790 2.767 -12.528 1.00 31.12 O ATOM 762 CB LEU A 48 -1.476 4.017 -9.851 1.00 44.35 C ATOM 763 CG LEU A 48 -1.448 5.197 -8.878 1.00 41.32 C ATOM 764 CD1 LEU A 48 -0.015 5.579 -8.551 1.00 4.23 C ATOM 765 CD2 LEU A 48 -2.196 6.388 -9.458 1.00 42.42 C ATOM 0 H LEU A 48 -2.981 2.710 -8.317 1.00 63.11 H new ATOM 0 HA LEU A 48 -3.438 4.369 -10.636 1.00 2.13 H new ATOM 0 HB2 LEU A 48 -0.930 3.187 -9.403 1.00 44.35 H new ATOM 0 HB3 LEU A 48 -0.938 4.302 -10.755 1.00 44.35 H new ATOM 0 HG LEU A 48 -1.946 4.895 -7.957 1.00 41.32 H new ATOM 0 HD11 LEU A 48 -0.012 6.420 -7.858 1.00 4.23 H new ATOM 0 HD12 LEU A 48 0.493 4.730 -8.094 1.00 4.23 H new ATOM 0 HD13 LEU A 48 0.504 5.862 -9.467 1.00 4.23 H new ATOM 0 HD21 LEU A 48 -2.165 7.217 -8.751 1.00 42.42 H new ATOM 0 HD22 LEU A 48 -1.727 6.692 -10.394 1.00 42.42 H new ATOM 0 HD23 LEU A 48 -3.233 6.110 -9.645 1.00 42.42 H new ATOM 777 N GLY A 49 -2.604 1.215 -10.911 1.00 71.44 N ATOM 778 CA GLY A 49 -2.499 0.118 -11.847 1.00 73.41 C ATOM 779 C GLY A 49 -1.118 -0.506 -11.857 1.00 52.24 C ATOM 780 O GLY A 49 -0.826 -1.364 -12.689 1.00 2.52 O ATOM 0 H GLY A 49 -2.556 0.944 -9.929 1.00 71.44 H new ATOM 0 HA2 GLY A 49 -3.236 -0.644 -11.593 1.00 73.41 H new ATOM 0 HA3 GLY A 49 -2.740 0.475 -12.848 1.00 73.41 H new ATOM 784 N ASP A 50 -0.267 -0.083 -10.932 1.00 13.01 N ATOM 785 CA ASP A 50 1.085 -0.622 -10.848 1.00 2.11 C ATOM 786 C ASP A 50 1.134 -1.725 -9.803 1.00 73.32 C ATOM 787 O ASP A 50 0.986 -1.469 -8.605 1.00 73.43 O ATOM 788 CB ASP A 50 2.093 0.474 -10.498 1.00 30.51 C ATOM 789 CG ASP A 50 3.528 0.029 -10.719 1.00 12.03 C ATOM 790 OD1 ASP A 50 3.999 -0.876 -10.001 1.00 70.34 O ATOM 791 OD2 ASP A 50 4.196 0.585 -11.613 1.00 15.34 O ATOM 0 H ASP A 50 -0.486 0.627 -10.233 1.00 13.01 H new ATOM 0 HA ASP A 50 1.353 -1.031 -11.822 1.00 2.11 H new ATOM 0 HB2 ASP A 50 1.891 1.357 -11.104 1.00 30.51 H new ATOM 0 HB3 ASP A 50 1.962 0.766 -9.456 1.00 30.51 H new ATOM 796 N TRP A 51 1.341 -2.948 -10.260 1.00 70.52 N ATOM 797 CA TRP A 51 1.284 -4.104 -9.384 1.00 75.13 C ATOM 798 C TRP A 51 2.625 -4.341 -8.703 1.00 72.13 C ATOM 799 O TRP A 51 2.676 -4.853 -7.586 1.00 1.11 O ATOM 800 CB TRP A 51 0.857 -5.343 -10.174 1.00 22.00 C ATOM 801 CG TRP A 51 -0.447 -5.160 -10.891 1.00 33.01 C ATOM 802 CD1 TRP A 51 -0.635 -5.054 -12.238 1.00 0.33 C ATOM 803 CD2 TRP A 51 -1.745 -5.042 -10.293 1.00 21.32 C ATOM 804 NE1 TRP A 51 -1.969 -4.883 -12.517 1.00 42.40 N ATOM 805 CE2 TRP A 51 -2.671 -4.870 -11.339 1.00 54.14 C ATOM 806 CE3 TRP A 51 -2.212 -5.064 -8.977 1.00 65.14 C ATOM 807 CZ2 TRP A 51 -4.036 -4.726 -11.107 1.00 32.21 C ATOM 808 CZ3 TRP A 51 -3.567 -4.919 -8.749 1.00 52.33 C ATOM 809 CH2 TRP A 51 -4.465 -4.752 -9.809 1.00 61.15 C ATOM 0 H TRP A 51 1.550 -3.166 -11.234 1.00 70.52 H new ATOM 0 HA TRP A 51 0.544 -3.909 -8.608 1.00 75.13 H new ATOM 0 HB2 TRP A 51 1.632 -5.590 -10.899 1.00 22.00 H new ATOM 0 HB3 TRP A 51 0.775 -6.191 -9.494 1.00 22.00 H new ATOM 0 HD1 TRP A 51 0.151 -5.098 -12.978 1.00 0.33 H new ATOM 0 HE1 TRP A 51 -2.372 -4.782 -13.449 1.00 42.40 H new ATOM 0 HE3 TRP A 51 -1.526 -5.192 -8.152 1.00 65.14 H new ATOM 0 HZ2 TRP A 51 -4.731 -4.598 -11.923 1.00 32.21 H new ATOM 0 HZ3 TRP A 51 -3.939 -4.935 -7.735 1.00 52.33 H new ATOM 0 HH2 TRP A 51 -5.518 -4.641 -9.598 1.00 61.15 H new ATOM 820 N GLN A 52 3.708 -3.958 -9.367 1.00 64.12 N ATOM 821 CA GLN A 52 5.042 -4.119 -8.797 1.00 51.31 C ATOM 822 C GLN A 52 5.211 -3.241 -7.566 1.00 72.10 C ATOM 823 O GLN A 52 5.668 -3.708 -6.520 1.00 3.42 O ATOM 824 CB GLN A 52 6.128 -3.801 -9.825 1.00 72.21 C ATOM 825 CG GLN A 52 6.642 -5.026 -10.574 1.00 50.24 C ATOM 826 CD GLN A 52 5.555 -5.770 -11.326 1.00 72.54 C ATOM 827 OE1 GLN A 52 5.277 -5.477 -12.487 1.00 70.23 O ATOM 828 NE2 GLN A 52 4.935 -6.744 -10.674 1.00 64.20 N ATOM 0 H GLN A 52 3.691 -3.536 -10.295 1.00 64.12 H new ATOM 0 HA GLN A 52 5.150 -5.163 -8.501 1.00 51.31 H new ATOM 0 HB2 GLN A 52 5.735 -3.084 -10.546 1.00 72.21 H new ATOM 0 HB3 GLN A 52 6.964 -3.318 -9.319 1.00 72.21 H new ATOM 0 HG2 GLN A 52 7.414 -4.715 -11.278 1.00 50.24 H new ATOM 0 HG3 GLN A 52 7.113 -5.706 -9.864 1.00 50.24 H new ATOM 0 HE21 GLN A 52 5.193 -6.958 -9.711 1.00 64.20 H new ATOM 0 HE22 GLN A 52 4.200 -7.279 -11.136 1.00 64.20 H new ATOM 837 N LYS A 53 4.830 -1.977 -7.687 1.00 50.33 N ATOM 838 CA LYS A 53 4.880 -1.063 -6.558 1.00 13.51 C ATOM 839 C LYS A 53 3.961 -1.548 -5.442 1.00 5.02 C ATOM 840 O LYS A 53 4.325 -1.507 -4.267 1.00 5.35 O ATOM 841 CB LYS A 53 4.477 0.350 -6.980 1.00 41.32 C ATOM 842 CG LYS A 53 5.491 1.061 -7.865 1.00 4.15 C ATOM 843 CD LYS A 53 6.818 1.253 -7.151 1.00 62.32 C ATOM 844 CE LYS A 53 7.747 2.175 -7.928 1.00 52.30 C ATOM 845 NZ LYS A 53 7.939 1.736 -9.336 1.00 44.01 N ATOM 0 H LYS A 53 4.484 -1.564 -8.553 1.00 50.33 H new ATOM 0 HA LYS A 53 5.906 -1.037 -6.192 1.00 13.51 H new ATOM 0 HB2 LYS A 53 3.525 0.299 -7.509 1.00 41.32 H new ATOM 0 HB3 LYS A 53 4.313 0.949 -6.085 1.00 41.32 H new ATOM 0 HG2 LYS A 53 5.648 0.484 -8.776 1.00 4.15 H new ATOM 0 HG3 LYS A 53 5.095 2.031 -8.166 1.00 4.15 H new ATOM 0 HD2 LYS A 53 6.641 1.667 -6.159 1.00 62.32 H new ATOM 0 HD3 LYS A 53 7.299 0.285 -7.011 1.00 62.32 H new ATOM 0 HE2 LYS A 53 7.341 3.187 -7.918 1.00 52.30 H new ATOM 0 HE3 LYS A 53 8.715 2.215 -7.428 1.00 52.30 H new ATOM 0 HZ1 LYS A 53 8.704 2.291 -9.771 1.00 44.01 H new ATOM 0 HZ2 LYS A 53 8.190 0.727 -9.354 1.00 44.01 H new ATOM 0 HZ3 LYS A 53 7.058 1.883 -9.869 1.00 44.01 H new ATOM 859 N ALA A 54 2.777 -2.016 -5.821 1.00 73.11 N ATOM 860 CA ALA A 54 1.813 -2.528 -4.856 1.00 52.32 C ATOM 861 C ALA A 54 2.386 -3.722 -4.095 1.00 3.15 C ATOM 862 O ALA A 54 2.344 -3.762 -2.866 1.00 1.33 O ATOM 863 CB ALA A 54 0.518 -2.915 -5.557 1.00 3.02 C ATOM 0 H ALA A 54 2.462 -2.051 -6.791 1.00 73.11 H new ATOM 0 HA ALA A 54 1.598 -1.739 -4.136 1.00 52.32 H new ATOM 0 HB1 ALA A 54 -0.193 -3.296 -4.824 1.00 3.02 H new ATOM 0 HB2 ALA A 54 0.096 -2.040 -6.051 1.00 3.02 H new ATOM 0 HB3 ALA A 54 0.723 -3.687 -6.299 1.00 3.02 H new ATOM 869 N LEU A 55 2.944 -4.678 -4.833 1.00 22.43 N ATOM 870 CA LEU A 55 3.498 -5.891 -4.240 1.00 70.31 C ATOM 871 C LEU A 55 4.628 -5.581 -3.270 1.00 1.43 C ATOM 872 O LEU A 55 4.737 -6.216 -2.220 1.00 24.54 O ATOM 873 CB LEU A 55 4.009 -6.840 -5.324 1.00 12.31 C ATOM 874 CG LEU A 55 2.926 -7.511 -6.167 1.00 33.34 C ATOM 875 CD1 LEU A 55 3.551 -8.352 -7.264 1.00 5.44 C ATOM 876 CD2 LEU A 55 2.021 -8.363 -5.293 1.00 70.34 C ATOM 0 H LEU A 55 3.024 -4.635 -5.849 1.00 22.43 H new ATOM 0 HA LEU A 55 2.690 -6.370 -3.687 1.00 70.31 H new ATOM 0 HB2 LEU A 55 4.671 -6.284 -5.988 1.00 12.31 H new ATOM 0 HB3 LEU A 55 4.611 -7.616 -4.851 1.00 12.31 H new ATOM 0 HG LEU A 55 2.321 -6.733 -6.632 1.00 33.34 H new ATOM 0 HD11 LEU A 55 2.765 -8.822 -7.854 1.00 5.44 H new ATOM 0 HD12 LEU A 55 4.158 -7.716 -7.909 1.00 5.44 H new ATOM 0 HD13 LEU A 55 4.180 -9.122 -6.818 1.00 5.44 H new ATOM 0 HD21 LEU A 55 1.256 -8.833 -5.911 1.00 70.34 H new ATOM 0 HD22 LEU A 55 2.613 -9.134 -4.799 1.00 70.34 H new ATOM 0 HD23 LEU A 55 1.544 -7.734 -4.541 1.00 70.34 H new ATOM 888 N ASN A 56 5.467 -4.616 -3.621 1.00 32.51 N ATOM 889 CA ASN A 56 6.612 -4.257 -2.788 1.00 42.11 C ATOM 890 C ASN A 56 6.171 -3.505 -1.538 1.00 54.41 C ATOM 891 O ASN A 56 6.725 -3.708 -0.455 1.00 72.03 O ATOM 892 CB ASN A 56 7.625 -3.423 -3.578 1.00 30.12 C ATOM 893 CG ASN A 56 8.358 -4.239 -4.629 1.00 25.24 C ATOM 894 OD1 ASN A 56 8.547 -5.448 -4.475 1.00 71.53 O ATOM 895 ND2 ASN A 56 8.785 -3.588 -5.702 1.00 74.42 N ATOM 0 H ASN A 56 5.378 -4.067 -4.476 1.00 32.51 H new ATOM 0 HA ASN A 56 7.094 -5.184 -2.477 1.00 42.11 H new ATOM 0 HB2 ASN A 56 7.109 -2.593 -4.062 1.00 30.12 H new ATOM 0 HB3 ASN A 56 8.350 -2.989 -2.889 1.00 30.12 H new ATOM 0 HD21 ASN A 56 9.289 -4.088 -6.435 1.00 74.42 H new ATOM 0 HD22 ASN A 56 8.610 -2.587 -5.795 1.00 74.42 H new ATOM 902 N ASN A 57 5.168 -2.648 -1.678 1.00 32.52 N ATOM 903 CA ASN A 57 4.661 -1.892 -0.537 1.00 74.03 C ATOM 904 C ASN A 57 3.862 -2.792 0.399 1.00 64.54 C ATOM 905 O ASN A 57 3.992 -2.696 1.619 1.00 34.23 O ATOM 906 CB ASN A 57 3.819 -0.697 -0.989 1.00 63.35 C ATOM 907 CG ASN A 57 4.673 0.495 -1.388 1.00 32.31 C ATOM 908 OD1 ASN A 57 5.034 1.320 -0.550 1.00 33.50 O ATOM 909 ND2 ASN A 57 5.009 0.591 -2.665 1.00 51.30 N ATOM 0 H ASN A 57 4.692 -2.459 -2.560 1.00 32.52 H new ATOM 0 HA ASN A 57 5.520 -1.505 0.011 1.00 74.03 H new ATOM 0 HB2 ASN A 57 3.196 -0.993 -1.833 1.00 63.35 H new ATOM 0 HB3 ASN A 57 3.146 -0.405 -0.183 1.00 63.35 H new ATOM 0 HD21 ASN A 57 5.587 1.369 -2.983 1.00 51.30 H new ATOM 0 HD22 ASN A 57 4.690 -0.113 -3.331 1.00 51.30 H new ATOM 916 N TYR A 58 3.053 -3.683 -0.170 1.00 43.50 N ATOM 917 CA TYR A 58 2.329 -4.665 0.632 1.00 41.32 C ATOM 918 C TYR A 58 3.312 -5.567 1.369 1.00 15.31 C ATOM 919 O TYR A 58 3.106 -5.901 2.534 1.00 50.22 O ATOM 920 CB TYR A 58 1.392 -5.518 -0.232 1.00 51.11 C ATOM 921 CG TYR A 58 0.128 -4.809 -0.677 1.00 12.44 C ATOM 922 CD1 TYR A 58 -0.545 -3.944 0.176 1.00 41.42 C ATOM 923 CD2 TYR A 58 -0.404 -5.024 -1.945 1.00 51.14 C ATOM 924 CE1 TYR A 58 -1.708 -3.311 -0.221 1.00 51.50 C ATOM 925 CE2 TYR A 58 -1.564 -4.390 -2.350 1.00 12.03 C ATOM 926 CZ TYR A 58 -2.212 -3.537 -1.484 1.00 0.11 C ATOM 927 OH TYR A 58 -3.374 -2.914 -1.881 1.00 74.22 O ATOM 0 H TYR A 58 2.884 -3.745 -1.174 1.00 43.50 H new ATOM 0 HA TYR A 58 1.721 -4.120 1.354 1.00 41.32 H new ATOM 0 HB2 TYR A 58 1.936 -5.852 -1.115 1.00 51.11 H new ATOM 0 HB3 TYR A 58 1.115 -6.411 0.328 1.00 51.11 H new ATOM 0 HD1 TYR A 58 -0.153 -3.763 1.166 1.00 41.42 H new ATOM 0 HD2 TYR A 58 0.098 -5.697 -2.624 1.00 51.14 H new ATOM 0 HE1 TYR A 58 -2.220 -2.642 0.455 1.00 51.50 H new ATOM 0 HE2 TYR A 58 -1.960 -4.563 -3.340 1.00 12.03 H new ATOM 0 HH TYR A 58 -3.355 -2.774 -2.851 1.00 74.22 H new ATOM 937 N GLN A 59 4.388 -5.946 0.684 1.00 41.32 N ATOM 938 CA GLN A 59 5.434 -6.772 1.279 1.00 50.21 C ATOM 939 C GLN A 59 6.016 -6.092 2.513 1.00 45.42 C ATOM 940 O GLN A 59 6.198 -6.725 3.555 1.00 55.54 O ATOM 941 CB GLN A 59 6.546 -7.038 0.259 1.00 21.34 C ATOM 942 CG GLN A 59 7.716 -7.836 0.815 1.00 62.32 C ATOM 943 CD GLN A 59 7.339 -9.255 1.189 1.00 24.43 C ATOM 944 OE1 GLN A 59 7.442 -10.168 0.372 1.00 73.34 O ATOM 945 NE2 GLN A 59 6.900 -9.450 2.424 1.00 50.45 N ATOM 0 H GLN A 59 4.558 -5.692 -0.289 1.00 41.32 H new ATOM 0 HA GLN A 59 4.991 -7.722 1.578 1.00 50.21 H new ATOM 0 HB2 GLN A 59 6.125 -7.574 -0.591 1.00 21.34 H new ATOM 0 HB3 GLN A 59 6.916 -6.084 -0.117 1.00 21.34 H new ATOM 0 HG2 GLN A 59 8.516 -7.861 0.075 1.00 62.32 H new ATOM 0 HG3 GLN A 59 8.111 -7.327 1.694 1.00 62.32 H new ATOM 0 HE21 GLN A 59 6.830 -8.664 3.070 1.00 50.45 H new ATOM 0 HE22 GLN A 59 6.632 -10.386 2.728 1.00 50.45 H new ATOM 954 N SER A 60 6.295 -4.803 2.388 1.00 14.50 N ATOM 955 CA SER A 60 6.854 -4.033 3.487 1.00 31.03 C ATOM 956 C SER A 60 5.866 -3.944 4.653 1.00 72.13 C ATOM 957 O SER A 60 6.266 -3.995 5.817 1.00 21.15 O ATOM 958 CB SER A 60 7.245 -2.638 2.996 1.00 0.11 C ATOM 959 OG SER A 60 8.189 -2.724 1.936 1.00 31.44 O ATOM 0 H SER A 60 6.142 -4.268 1.533 1.00 14.50 H new ATOM 0 HA SER A 60 7.747 -4.541 3.851 1.00 31.03 H new ATOM 0 HB2 SER A 60 6.357 -2.105 2.656 1.00 0.11 H new ATOM 0 HB3 SER A 60 7.667 -2.062 3.820 1.00 0.11 H new ATOM 0 HG SER A 60 7.739 -3.033 1.122 1.00 31.44 H new ATOM 965 N ALA A 61 4.578 -3.830 4.337 1.00 30.24 N ATOM 966 CA ALA A 61 3.541 -3.796 5.363 1.00 41.32 C ATOM 967 C ALA A 61 3.490 -5.116 6.126 1.00 33.04 C ATOM 968 O ALA A 61 3.417 -5.130 7.355 1.00 61.22 O ATOM 969 CB ALA A 61 2.185 -3.487 4.742 1.00 61.32 C ATOM 0 H ALA A 61 4.229 -3.760 3.381 1.00 30.24 H new ATOM 0 HA ALA A 61 3.787 -3.003 6.069 1.00 41.32 H new ATOM 0 HB1 ALA A 61 1.424 -3.466 5.522 1.00 61.32 H new ATOM 0 HB2 ALA A 61 2.224 -2.517 4.247 1.00 61.32 H new ATOM 0 HB3 ALA A 61 1.935 -4.257 4.012 1.00 61.32 H new ATOM 975 N ILE A 62 3.549 -6.222 5.387 1.00 34.43 N ATOM 976 CA ILE A 62 3.547 -7.557 5.981 1.00 44.13 C ATOM 977 C ILE A 62 4.771 -7.755 6.876 1.00 11.23 C ATOM 978 O ILE A 62 4.688 -8.377 7.937 1.00 34.53 O ATOM 979 CB ILE A 62 3.532 -8.657 4.893 1.00 44.23 C ATOM 980 CG1 ILE A 62 2.295 -8.514 4.002 1.00 13.11 C ATOM 981 CG2 ILE A 62 3.568 -10.038 5.532 1.00 52.45 C ATOM 982 CD1 ILE A 62 2.261 -9.489 2.843 1.00 72.43 C ATOM 0 H ILE A 62 3.599 -6.219 4.368 1.00 34.43 H new ATOM 0 HA ILE A 62 2.641 -7.641 6.581 1.00 44.13 H new ATOM 0 HB ILE A 62 4.420 -8.539 4.272 1.00 44.23 H new ATOM 0 HG12 ILE A 62 1.402 -8.656 4.611 1.00 13.11 H new ATOM 0 HG13 ILE A 62 2.256 -7.497 3.611 1.00 13.11 H new ATOM 0 HG21 ILE A 62 3.557 -10.800 4.753 1.00 52.45 H new ATOM 0 HG22 ILE A 62 4.476 -10.140 6.127 1.00 52.45 H new ATOM 0 HG23 ILE A 62 2.697 -10.164 6.175 1.00 52.45 H new ATOM 0 HD11 ILE A 62 1.356 -9.327 2.258 1.00 72.43 H new ATOM 0 HD12 ILE A 62 3.135 -9.333 2.211 1.00 72.43 H new ATOM 0 HD13 ILE A 62 2.268 -10.510 3.226 1.00 72.43 H new ATOM 994 N GLU A 63 5.902 -7.219 6.441 1.00 65.11 N ATOM 995 CA GLU A 63 7.145 -7.325 7.196 1.00 20.40 C ATOM 996 C GLU A 63 7.050 -6.591 8.531 1.00 41.55 C ATOM 997 O GLU A 63 7.527 -7.083 9.556 1.00 34.13 O ATOM 998 CB GLU A 63 8.310 -6.774 6.372 1.00 44.14 C ATOM 999 CG GLU A 63 8.741 -7.689 5.238 1.00 44.21 C ATOM 1000 CD GLU A 63 9.375 -8.968 5.741 1.00 44.11 C ATOM 1001 OE1 GLU A 63 8.641 -9.940 6.014 1.00 71.12 O ATOM 1002 OE2 GLU A 63 10.618 -9.005 5.873 1.00 23.24 O ATOM 0 H GLU A 63 5.986 -6.704 5.565 1.00 65.11 H new ATOM 0 HA GLU A 63 7.322 -8.380 7.406 1.00 20.40 H new ATOM 0 HB2 GLU A 63 8.026 -5.806 5.959 1.00 44.14 H new ATOM 0 HB3 GLU A 63 9.161 -6.601 7.031 1.00 44.14 H new ATOM 0 HG2 GLU A 63 7.875 -7.933 4.622 1.00 44.21 H new ATOM 0 HG3 GLU A 63 9.449 -7.162 4.598 1.00 44.21 H new ATOM 1009 N LEU A 64 6.426 -5.424 8.522 1.00 72.22 N ATOM 1010 CA LEU A 64 6.284 -4.629 9.735 1.00 63.12 C ATOM 1011 C LEU A 64 5.180 -5.187 10.625 1.00 43.14 C ATOM 1012 O LEU A 64 5.305 -5.214 11.850 1.00 2.03 O ATOM 1013 CB LEU A 64 5.990 -3.171 9.386 1.00 1.10 C ATOM 1014 CG LEU A 64 7.077 -2.466 8.570 1.00 71.10 C ATOM 1015 CD1 LEU A 64 6.651 -1.049 8.229 1.00 71.10 C ATOM 1016 CD2 LEU A 64 8.399 -2.458 9.325 1.00 31.50 C ATOM 0 H LEU A 64 6.010 -5.005 7.690 1.00 72.22 H new ATOM 0 HA LEU A 64 7.225 -4.678 10.283 1.00 63.12 H new ATOM 0 HB2 LEU A 64 5.054 -3.129 8.829 1.00 1.10 H new ATOM 0 HB3 LEU A 64 5.835 -2.616 10.311 1.00 1.10 H new ATOM 0 HG LEU A 64 7.218 -3.018 7.641 1.00 71.10 H new ATOM 0 HD11 LEU A 64 7.435 -0.563 7.649 1.00 71.10 H new ATOM 0 HD12 LEU A 64 5.731 -1.076 7.644 1.00 71.10 H new ATOM 0 HD13 LEU A 64 6.480 -0.489 9.149 1.00 71.10 H new ATOM 0 HD21 LEU A 64 9.157 -1.952 8.727 1.00 31.50 H new ATOM 0 HD22 LEU A 64 8.274 -1.933 10.272 1.00 31.50 H new ATOM 0 HD23 LEU A 64 8.714 -3.483 9.518 1.00 31.50 H new ATOM 1028 N ASN A 65 4.102 -5.639 10.006 1.00 31.54 N ATOM 1029 CA ASN A 65 2.978 -6.209 10.734 1.00 30.25 C ATOM 1030 C ASN A 65 2.370 -7.361 9.943 1.00 60.45 C ATOM 1031 O ASN A 65 1.672 -7.149 8.953 1.00 51.34 O ATOM 1032 CB ASN A 65 1.933 -5.125 11.021 1.00 34.22 C ATOM 1033 CG ASN A 65 0.651 -5.657 11.641 1.00 75.15 C ATOM 1034 OD1 ASN A 65 0.634 -6.716 12.269 1.00 14.04 O ATOM 1035 ND2 ASN A 65 -0.430 -4.902 11.496 1.00 25.32 N ATOM 0 H ASN A 65 3.980 -5.622 8.993 1.00 31.54 H new ATOM 0 HA ASN A 65 3.331 -6.602 11.687 1.00 30.25 H new ATOM 0 HB2 ASN A 65 2.368 -4.382 11.690 1.00 34.22 H new ATOM 0 HB3 ASN A 65 1.690 -4.612 10.090 1.00 34.22 H new ATOM 0 HD21 ASN A 65 -1.315 -5.193 11.912 1.00 25.32 H new ATOM 0 HD22 ASN A 65 -0.377 -4.031 10.968 1.00 25.32 H new ATOM 1042 N PRO A 66 2.644 -8.603 10.371 1.00 32.25 N ATOM 1043 CA PRO A 66 2.182 -9.805 9.668 1.00 11.41 C ATOM 1044 C PRO A 66 0.681 -10.044 9.812 1.00 52.54 C ATOM 1045 O PRO A 66 0.110 -10.879 9.111 1.00 30.03 O ATOM 1046 CB PRO A 66 2.967 -10.930 10.341 1.00 70.24 C ATOM 1047 CG PRO A 66 3.264 -10.420 11.708 1.00 41.54 C ATOM 1048 CD PRO A 66 3.436 -8.933 11.572 1.00 4.50 C ATOM 0 HA PRO A 66 2.346 -9.727 8.593 1.00 11.41 H new ATOM 0 HB2 PRO A 66 2.385 -11.851 10.380 1.00 70.24 H new ATOM 0 HB3 PRO A 66 3.883 -11.155 9.795 1.00 70.24 H new ATOM 0 HG2 PRO A 66 2.453 -10.657 12.397 1.00 41.54 H new ATOM 0 HG3 PRO A 66 4.167 -10.881 12.108 1.00 41.54 H new ATOM 0 HD2 PRO A 66 3.070 -8.404 12.452 1.00 4.50 H new ATOM 0 HD3 PRO A 66 4.484 -8.660 11.449 1.00 4.50 H new ATOM 1056 N ASP A 67 0.042 -9.312 10.714 1.00 21.24 N ATOM 1057 CA ASP A 67 -1.389 -9.472 10.946 1.00 35.21 C ATOM 1058 C ASP A 67 -2.173 -8.390 10.206 1.00 52.04 C ATOM 1059 O ASP A 67 -3.374 -8.217 10.405 1.00 15.01 O ATOM 1060 CB ASP A 67 -1.687 -9.432 12.449 1.00 21.41 C ATOM 1061 CG ASP A 67 -3.121 -9.803 12.783 1.00 43.41 C ATOM 1062 OD1 ASP A 67 -3.549 -10.925 12.435 1.00 22.13 O ATOM 1063 OD2 ASP A 67 -3.821 -8.986 13.422 1.00 33.21 O ATOM 0 H ASP A 67 0.489 -8.603 11.296 1.00 21.24 H new ATOM 0 HA ASP A 67 -1.703 -10.441 10.559 1.00 35.21 H new ATOM 0 HB2 ASP A 67 -1.012 -10.115 12.965 1.00 21.41 H new ATOM 0 HB3 ASP A 67 -1.479 -8.431 12.828 1.00 21.41 H new ATOM 1068 N SER A 68 -1.485 -7.662 9.338 1.00 3.31 N ATOM 1069 CA SER A 68 -2.126 -6.638 8.533 1.00 52.13 C ATOM 1070 C SER A 68 -2.923 -7.284 7.400 1.00 72.54 C ATOM 1071 O SER A 68 -2.623 -8.409 6.992 1.00 32.24 O ATOM 1072 CB SER A 68 -1.074 -5.680 7.963 1.00 71.44 C ATOM 1073 OG SER A 68 -0.139 -6.372 7.152 1.00 11.14 O ATOM 0 H SER A 68 -0.483 -7.763 9.175 1.00 3.31 H new ATOM 0 HA SER A 68 -2.810 -6.070 9.163 1.00 52.13 H new ATOM 0 HB2 SER A 68 -1.565 -4.904 7.376 1.00 71.44 H new ATOM 0 HB3 SER A 68 -0.552 -5.180 8.779 1.00 71.44 H new ATOM 0 HG SER A 68 0.530 -6.806 7.722 1.00 11.14 H new ATOM 1079 N PRO A 69 -3.949 -6.591 6.875 1.00 34.34 N ATOM 1080 CA PRO A 69 -4.746 -7.086 5.747 1.00 12.01 C ATOM 1081 C PRO A 69 -3.949 -7.109 4.445 1.00 52.01 C ATOM 1082 O PRO A 69 -4.476 -7.460 3.388 1.00 32.34 O ATOM 1083 CB PRO A 69 -5.906 -6.085 5.640 1.00 3.55 C ATOM 1084 CG PRO A 69 -5.869 -5.294 6.906 1.00 12.42 C ATOM 1085 CD PRO A 69 -4.434 -5.289 7.351 1.00 64.34 C ATOM 0 HA PRO A 69 -5.073 -8.113 5.909 1.00 12.01 H new ATOM 0 HB2 PRO A 69 -5.788 -5.439 4.770 1.00 3.55 H new ATOM 0 HB3 PRO A 69 -6.860 -6.600 5.527 1.00 3.55 H new ATOM 0 HG2 PRO A 69 -6.230 -4.279 6.742 1.00 12.42 H new ATOM 0 HG3 PRO A 69 -6.511 -5.742 7.665 1.00 12.42 H new ATOM 0 HD2 PRO A 69 -3.876 -4.463 6.911 1.00 64.34 H new ATOM 0 HD3 PRO A 69 -4.345 -5.194 8.433 1.00 64.34 H new ATOM 1093 N ALA A 70 -2.673 -6.734 4.531 1.00 72.45 N ATOM 1094 CA ALA A 70 -1.793 -6.697 3.373 1.00 72.34 C ATOM 1095 C ALA A 70 -1.627 -8.080 2.754 1.00 2.30 C ATOM 1096 O ALA A 70 -1.346 -8.196 1.566 1.00 34.10 O ATOM 1097 CB ALA A 70 -0.442 -6.115 3.756 1.00 21.31 C ATOM 0 H ALA A 70 -2.226 -6.449 5.403 1.00 72.45 H new ATOM 0 HA ALA A 70 -2.252 -6.054 2.622 1.00 72.34 H new ATOM 0 HB1 ALA A 70 0.206 -6.093 2.880 1.00 21.31 H new ATOM 0 HB2 ALA A 70 -0.576 -5.101 4.133 1.00 21.31 H new ATOM 0 HB3 ALA A 70 0.014 -6.733 4.530 1.00 21.31 H new ATOM 1103 N LEU A 71 -1.804 -9.124 3.559 1.00 74.42 N ATOM 1104 CA LEU A 71 -1.774 -10.491 3.052 1.00 34.24 C ATOM 1105 C LEU A 71 -2.899 -10.712 2.056 1.00 31.32 C ATOM 1106 O LEU A 71 -2.671 -11.186 0.948 1.00 21.11 O ATOM 1107 CB LEU A 71 -1.912 -11.504 4.185 1.00 32.43 C ATOM 1108 CG LEU A 71 -0.624 -11.849 4.928 1.00 74.41 C ATOM 1109 CD1 LEU A 71 -0.157 -10.674 5.763 1.00 24.31 C ATOM 1110 CD2 LEU A 71 -0.825 -13.079 5.795 1.00 32.13 C ATOM 0 H LEU A 71 -1.969 -9.049 4.563 1.00 74.42 H new ATOM 0 HA LEU A 71 -0.812 -10.636 2.561 1.00 34.24 H new ATOM 0 HB2 LEU A 71 -2.633 -11.119 4.906 1.00 32.43 H new ATOM 0 HB3 LEU A 71 -2.331 -12.424 3.776 1.00 32.43 H new ATOM 0 HG LEU A 71 0.149 -12.070 4.192 1.00 74.41 H new ATOM 0 HD11 LEU A 71 0.762 -10.941 6.284 1.00 24.31 H new ATOM 0 HD12 LEU A 71 0.029 -9.818 5.115 1.00 24.31 H new ATOM 0 HD13 LEU A 71 -0.926 -10.417 6.492 1.00 24.31 H new ATOM 0 HD21 LEU A 71 0.103 -13.311 6.318 1.00 32.13 H new ATOM 0 HD22 LEU A 71 -1.613 -12.886 6.523 1.00 32.13 H new ATOM 0 HD23 LEU A 71 -1.109 -13.924 5.168 1.00 32.13 H new ATOM 1122 N GLN A 72 -4.112 -10.358 2.460 1.00 12.22 N ATOM 1123 CA GLN A 72 -5.280 -10.527 1.610 1.00 33.44 C ATOM 1124 C GLN A 72 -5.142 -9.670 0.360 1.00 5.33 C ATOM 1125 O GLN A 72 -5.506 -10.086 -0.741 1.00 51.21 O ATOM 1126 CB GLN A 72 -6.559 -10.147 2.364 1.00 70.03 C ATOM 1127 CG GLN A 72 -6.747 -10.878 3.689 1.00 51.13 C ATOM 1128 CD GLN A 72 -6.689 -12.388 3.551 1.00 11.03 C ATOM 1129 OE1 GLN A 72 -7.010 -12.943 2.499 1.00 1.25 O ATOM 1130 NE2 GLN A 72 -6.296 -13.065 4.618 1.00 14.30 N ATOM 0 H GLN A 72 -4.311 -9.951 3.374 1.00 12.22 H new ATOM 0 HA GLN A 72 -5.347 -11.576 1.321 1.00 33.44 H new ATOM 0 HB2 GLN A 72 -6.550 -9.074 2.553 1.00 70.03 H new ATOM 0 HB3 GLN A 72 -7.418 -10.351 1.725 1.00 70.03 H new ATOM 0 HG2 GLN A 72 -5.976 -10.553 4.388 1.00 51.13 H new ATOM 0 HG3 GLN A 72 -7.708 -10.595 4.120 1.00 51.13 H new ATOM 0 HE21 GLN A 72 -6.038 -12.568 5.471 1.00 14.30 H new ATOM 0 HE22 GLN A 72 -6.251 -14.084 4.588 1.00 14.30 H new ATOM 1139 N ALA A 73 -4.585 -8.482 0.542 1.00 62.34 N ATOM 1140 CA ALA A 73 -4.389 -7.544 -0.552 1.00 61.33 C ATOM 1141 C ALA A 73 -3.332 -8.055 -1.529 1.00 72.41 C ATOM 1142 O ALA A 73 -3.517 -8.003 -2.739 1.00 13.52 O ATOM 1143 CB ALA A 73 -4.000 -6.182 -0.005 1.00 3.25 C ATOM 0 H ALA A 73 -4.258 -8.143 1.447 1.00 62.34 H new ATOM 0 HA ALA A 73 -5.328 -7.449 -1.098 1.00 61.33 H new ATOM 0 HB1 ALA A 73 -3.855 -5.486 -0.831 1.00 3.25 H new ATOM 0 HB2 ALA A 73 -4.792 -5.812 0.647 1.00 3.25 H new ATOM 0 HB3 ALA A 73 -3.074 -6.269 0.563 1.00 3.25 H new ATOM 1149 N ARG A 74 -2.226 -8.561 -1.002 1.00 4.14 N ATOM 1150 CA ARG A 74 -1.164 -9.091 -1.850 1.00 74.15 C ATOM 1151 C ARG A 74 -1.625 -10.392 -2.507 1.00 32.42 C ATOM 1152 O ARG A 74 -1.227 -10.716 -3.625 1.00 52.31 O ATOM 1153 CB ARG A 74 0.108 -9.333 -1.029 1.00 34.01 C ATOM 1154 CG ARG A 74 1.384 -9.304 -1.856 1.00 44.14 C ATOM 1155 CD ARG A 74 2.619 -9.529 -0.997 1.00 73.24 C ATOM 1156 NE ARG A 74 3.848 -9.125 -1.685 1.00 73.20 N ATOM 1157 CZ ARG A 74 4.940 -9.885 -1.775 1.00 54.21 C ATOM 1158 NH1 ARG A 74 4.947 -11.108 -1.264 1.00 25.02 N ATOM 1159 NH2 ARG A 74 6.027 -9.423 -2.388 1.00 71.55 N ATOM 0 H ARG A 74 -2.040 -8.616 -0.001 1.00 4.14 H new ATOM 0 HA ARG A 74 -0.938 -8.361 -2.627 1.00 74.15 H new ATOM 0 HB2 ARG A 74 0.175 -8.576 -0.247 1.00 34.01 H new ATOM 0 HB3 ARG A 74 0.030 -10.299 -0.531 1.00 34.01 H new ATOM 0 HG2 ARG A 74 1.334 -10.071 -2.629 1.00 44.14 H new ATOM 0 HG3 ARG A 74 1.465 -8.344 -2.365 1.00 44.14 H new ATOM 0 HD2 ARG A 74 2.522 -8.967 -0.068 1.00 73.24 H new ATOM 0 HD3 ARG A 74 2.685 -10.583 -0.726 1.00 73.24 H new ATOM 0 HE ARG A 74 3.870 -8.204 -2.123 1.00 73.20 H new ATOM 0 HH11 ARG A 74 4.115 -11.471 -0.800 1.00 25.02 H new ATOM 0 HH12 ARG A 74 5.785 -11.686 -1.335 1.00 25.02 H new ATOM 0 HH21 ARG A 74 6.026 -8.486 -2.790 1.00 71.55 H new ATOM 0 HH22 ARG A 74 6.861 -10.006 -2.456 1.00 71.55 H new ATOM 1173 N LYS A 75 -2.484 -11.117 -1.798 1.00 22.33 N ATOM 1174 CA LYS A 75 -3.035 -12.376 -2.284 1.00 1.11 C ATOM 1175 C LYS A 75 -3.874 -12.150 -3.538 1.00 13.45 C ATOM 1176 O LYS A 75 -3.685 -12.821 -4.552 1.00 22.21 O ATOM 1177 CB LYS A 75 -3.896 -13.019 -1.194 1.00 3.01 C ATOM 1178 CG LYS A 75 -4.390 -14.416 -1.534 1.00 70.31 C ATOM 1179 CD LYS A 75 -5.443 -14.888 -0.544 1.00 54.10 C ATOM 1180 CE LYS A 75 -4.915 -14.947 0.883 1.00 51.10 C ATOM 1181 NZ LYS A 75 -5.969 -15.397 1.827 1.00 43.54 N ATOM 0 H LYS A 75 -2.817 -10.849 -0.872 1.00 22.33 H new ATOM 0 HA LYS A 75 -2.209 -13.041 -2.535 1.00 1.11 H new ATOM 0 HB2 LYS A 75 -3.319 -13.064 -0.270 1.00 3.01 H new ATOM 0 HB3 LYS A 75 -4.756 -12.378 -1.001 1.00 3.01 H new ATOM 0 HG2 LYS A 75 -4.807 -14.421 -2.541 1.00 70.31 H new ATOM 0 HG3 LYS A 75 -3.550 -15.111 -1.533 1.00 70.31 H new ATOM 0 HD2 LYS A 75 -6.301 -14.217 -0.583 1.00 54.10 H new ATOM 0 HD3 LYS A 75 -5.797 -15.876 -0.838 1.00 54.10 H new ATOM 0 HE2 LYS A 75 -4.065 -15.628 0.931 1.00 51.10 H new ATOM 0 HE3 LYS A 75 -4.553 -13.963 1.181 1.00 51.10 H new ATOM 0 HZ1 LYS A 75 -5.525 -15.766 2.692 1.00 43.54 H new ATOM 0 HZ2 LYS A 75 -6.584 -14.594 2.069 1.00 43.54 H new ATOM 0 HZ3 LYS A 75 -6.537 -16.146 1.382 1.00 43.54 H new ATOM 1195 N MET A 76 -4.797 -11.192 -3.467 1.00 4.35 N ATOM 1196 CA MET A 76 -5.660 -10.892 -4.604 1.00 1.34 C ATOM 1197 C MET A 76 -4.853 -10.370 -5.788 1.00 31.32 C ATOM 1198 O MET A 76 -5.183 -10.661 -6.936 1.00 35.04 O ATOM 1199 CB MET A 76 -6.759 -9.889 -4.236 1.00 22.25 C ATOM 1200 CG MET A 76 -6.256 -8.647 -3.525 1.00 14.01 C ATOM 1201 SD MET A 76 -7.296 -7.209 -3.815 1.00 30.44 S ATOM 1202 CE MET A 76 -6.874 -6.847 -5.517 1.00 62.14 C ATOM 0 H MET A 76 -4.964 -10.616 -2.642 1.00 4.35 H new ATOM 0 HA MET A 76 -6.138 -11.828 -4.892 1.00 1.34 H new ATOM 0 HB2 MET A 76 -7.279 -9.588 -5.145 1.00 22.25 H new ATOM 0 HB3 MET A 76 -7.491 -10.387 -3.600 1.00 22.25 H new ATOM 0 HG2 MET A 76 -6.205 -8.843 -2.454 1.00 14.01 H new ATOM 0 HG3 MET A 76 -5.241 -8.429 -3.858 1.00 14.01 H new ATOM 0 HE1 MET A 76 -6.657 -5.784 -5.620 1.00 62.14 H new ATOM 0 HE2 MET A 76 -5.997 -7.426 -5.805 1.00 62.14 H new ATOM 0 HE3 MET A 76 -7.711 -7.111 -6.163 1.00 62.14 H new ATOM 1212 N VAL A 77 -3.794 -9.611 -5.514 1.00 3.33 N ATOM 1213 CA VAL A 77 -2.930 -9.108 -6.578 1.00 44.03 C ATOM 1214 C VAL A 77 -2.278 -10.265 -7.333 1.00 2.24 C ATOM 1215 O VAL A 77 -2.281 -10.289 -8.564 1.00 41.01 O ATOM 1216 CB VAL A 77 -1.839 -8.154 -6.041 1.00 65.33 C ATOM 1217 CG1 VAL A 77 -0.898 -7.725 -7.157 1.00 65.00 C ATOM 1218 CG2 VAL A 77 -2.470 -6.934 -5.390 1.00 43.42 C ATOM 0 H VAL A 77 -3.516 -9.333 -4.573 1.00 3.33 H new ATOM 0 HA VAL A 77 -3.563 -8.540 -7.260 1.00 44.03 H new ATOM 0 HB VAL A 77 -1.261 -8.692 -5.290 1.00 65.33 H new ATOM 0 HG11 VAL A 77 -0.139 -7.054 -6.755 1.00 65.00 H new ATOM 0 HG12 VAL A 77 -0.416 -8.604 -7.584 1.00 65.00 H new ATOM 0 HG13 VAL A 77 -1.464 -7.209 -7.932 1.00 65.00 H new ATOM 0 HG21 VAL A 77 -1.686 -6.274 -5.018 1.00 43.42 H new ATOM 0 HG22 VAL A 77 -3.075 -6.402 -6.124 1.00 43.42 H new ATOM 0 HG23 VAL A 77 -3.102 -7.250 -4.560 1.00 43.42 H new ATOM 1228 N MET A 78 -1.744 -11.234 -6.590 1.00 30.21 N ATOM 1229 CA MET A 78 -1.136 -12.420 -7.194 1.00 53.31 C ATOM 1230 C MET A 78 -2.156 -13.167 -8.040 1.00 53.52 C ATOM 1231 O MET A 78 -1.848 -13.635 -9.134 1.00 51.31 O ATOM 1232 CB MET A 78 -0.580 -13.356 -6.119 1.00 62.32 C ATOM 1233 CG MET A 78 0.605 -12.786 -5.359 1.00 22.42 C ATOM 1234 SD MET A 78 2.018 -12.438 -6.424 1.00 4.43 S ATOM 1235 CE MET A 78 3.207 -11.884 -5.213 1.00 63.20 C ATOM 0 H MET A 78 -1.720 -11.222 -5.570 1.00 30.21 H new ATOM 0 HA MET A 78 -0.315 -12.088 -7.829 1.00 53.31 H new ATOM 0 HB2 MET A 78 -1.374 -13.592 -5.410 1.00 62.32 H new ATOM 0 HB3 MET A 78 -0.282 -14.294 -6.587 1.00 62.32 H new ATOM 0 HG2 MET A 78 0.300 -11.868 -4.856 1.00 22.42 H new ATOM 0 HG3 MET A 78 0.906 -13.490 -4.583 1.00 22.42 H new ATOM 0 HE1 MET A 78 3.863 -11.138 -5.662 1.00 63.20 H new ATOM 0 HE2 MET A 78 2.684 -11.444 -4.364 1.00 63.20 H new ATOM 0 HE3 MET A 78 3.802 -12.732 -4.873 1.00 63.20 H new ATOM 1245 N ASP A 79 -3.376 -13.260 -7.522 1.00 42.24 N ATOM 1246 CA ASP A 79 -4.470 -13.923 -8.228 1.00 43.14 C ATOM 1247 C ASP A 79 -4.787 -13.205 -9.540 1.00 74.42 C ATOM 1248 O ASP A 79 -4.986 -13.843 -10.576 1.00 73.50 O ATOM 1249 CB ASP A 79 -5.717 -13.982 -7.341 1.00 71.43 C ATOM 1250 CG ASP A 79 -6.904 -14.615 -8.042 1.00 11.22 C ATOM 1251 OD1 ASP A 79 -7.027 -15.859 -8.008 1.00 10.23 O ATOM 1252 OD2 ASP A 79 -7.720 -13.872 -8.627 1.00 60.12 O ATOM 0 H ASP A 79 -3.634 -12.883 -6.610 1.00 42.24 H new ATOM 0 HA ASP A 79 -4.156 -14.940 -8.463 1.00 43.14 H new ATOM 0 HB2 ASP A 79 -5.489 -14.548 -6.438 1.00 71.43 H new ATOM 0 HB3 ASP A 79 -5.982 -12.973 -7.026 1.00 71.43 H new ATOM 1257 N ILE A 80 -4.822 -11.876 -9.491 1.00 74.04 N ATOM 1258 CA ILE A 80 -5.074 -11.071 -10.682 1.00 10.25 C ATOM 1259 C ILE A 80 -3.919 -11.199 -11.672 1.00 73.43 C ATOM 1260 O ILE A 80 -4.130 -11.343 -12.876 1.00 2.54 O ATOM 1261 CB ILE A 80 -5.292 -9.580 -10.330 1.00 64.43 C ATOM 1262 CG1 ILE A 80 -6.511 -9.420 -9.423 1.00 41.41 C ATOM 1263 CG2 ILE A 80 -5.471 -8.751 -11.590 1.00 12.33 C ATOM 1264 CD1 ILE A 80 -6.754 -7.993 -8.986 1.00 71.23 C ATOM 0 H ILE A 80 -4.679 -11.334 -8.639 1.00 74.04 H new ATOM 0 HA ILE A 80 -5.987 -11.451 -11.140 1.00 10.25 H new ATOM 0 HB ILE A 80 -4.408 -9.223 -9.801 1.00 64.43 H new ATOM 0 HG12 ILE A 80 -7.394 -9.787 -9.946 1.00 41.41 H new ATOM 0 HG13 ILE A 80 -6.381 -10.045 -8.540 1.00 41.41 H new ATOM 0 HG21 ILE A 80 -5.623 -7.706 -11.320 1.00 12.33 H new ATOM 0 HG22 ILE A 80 -4.581 -8.839 -12.213 1.00 12.33 H new ATOM 0 HG23 ILE A 80 -6.338 -9.112 -12.143 1.00 12.33 H new ATOM 0 HD11 ILE A 80 -7.635 -7.954 -8.345 1.00 71.23 H new ATOM 0 HD12 ILE A 80 -5.887 -7.629 -8.435 1.00 71.23 H new ATOM 0 HD13 ILE A 80 -6.916 -7.366 -9.863 1.00 71.23 H new ATOM 1276 N LEU A 81 -2.697 -11.158 -11.155 1.00 32.14 N ATOM 1277 CA LEU A 81 -1.509 -11.321 -11.988 1.00 52.21 C ATOM 1278 C LEU A 81 -1.502 -12.686 -12.663 1.00 30.04 C ATOM 1279 O LEU A 81 -1.183 -12.798 -13.846 1.00 13.52 O ATOM 1280 CB LEU A 81 -0.239 -11.143 -11.159 1.00 60.24 C ATOM 1281 CG LEU A 81 -0.014 -9.731 -10.627 1.00 11.34 C ATOM 1282 CD1 LEU A 81 1.268 -9.666 -9.815 1.00 53.11 C ATOM 1283 CD2 LEU A 81 0.022 -8.734 -11.774 1.00 43.13 C ATOM 0 H LEU A 81 -2.501 -11.014 -10.164 1.00 32.14 H new ATOM 0 HA LEU A 81 -1.535 -10.552 -12.760 1.00 52.21 H new ATOM 0 HB2 LEU A 81 -0.273 -11.833 -10.316 1.00 60.24 H new ATOM 0 HB3 LEU A 81 0.619 -11.427 -11.769 1.00 60.24 H new ATOM 0 HG LEU A 81 -0.844 -9.469 -9.971 1.00 11.34 H new ATOM 0 HD11 LEU A 81 1.412 -8.651 -9.444 1.00 53.11 H new ATOM 0 HD12 LEU A 81 1.201 -10.355 -8.973 1.00 53.11 H new ATOM 0 HD13 LEU A 81 2.112 -9.945 -10.445 1.00 53.11 H new ATOM 0 HD21 LEU A 81 0.183 -7.731 -11.379 1.00 43.13 H new ATOM 0 HD22 LEU A 81 0.834 -8.991 -12.454 1.00 43.13 H new ATOM 0 HD23 LEU A 81 -0.925 -8.764 -12.312 1.00 43.13 H new ATOM 1295 N ASN A 82 -1.859 -13.714 -11.902 1.00 12.13 N ATOM 1296 CA ASN A 82 -1.982 -15.068 -12.431 1.00 44.22 C ATOM 1297 C ASN A 82 -2.985 -15.103 -13.579 1.00 62.31 C ATOM 1298 O ASN A 82 -2.779 -15.789 -14.581 1.00 71.00 O ATOM 1299 CB ASN A 82 -2.421 -16.022 -11.317 1.00 71.34 C ATOM 1300 CG ASN A 82 -2.664 -17.433 -11.813 1.00 21.21 C ATOM 1301 OD1 ASN A 82 -3.767 -17.769 -12.240 1.00 74.01 O ATOM 1302 ND2 ASN A 82 -1.644 -18.275 -11.742 1.00 54.24 N ATOM 0 H ASN A 82 -2.070 -13.634 -10.907 1.00 12.13 H new ATOM 0 HA ASN A 82 -1.011 -15.386 -12.812 1.00 44.22 H new ATOM 0 HB2 ASN A 82 -1.657 -16.042 -10.540 1.00 71.34 H new ATOM 0 HB3 ASN A 82 -3.333 -15.641 -10.858 1.00 71.34 H new ATOM 0 HD21 ASN A 82 -1.758 -19.241 -12.048 1.00 54.24 H new ATOM 0 HD22 ASN A 82 -0.744 -17.957 -11.381 1.00 54.24 H new ATOM 1309 N PHE A 83 -4.062 -14.343 -13.427 1.00 31.13 N ATOM 1310 CA PHE A 83 -5.103 -14.264 -14.441 1.00 75.33 C ATOM 1311 C PHE A 83 -4.570 -13.577 -15.697 1.00 3.32 C ATOM 1312 O PHE A 83 -4.950 -13.926 -16.816 1.00 53.03 O ATOM 1313 CB PHE A 83 -6.312 -13.501 -13.885 1.00 23.13 C ATOM 1314 CG PHE A 83 -7.525 -13.527 -14.774 1.00 61.03 C ATOM 1315 CD1 PHE A 83 -8.426 -14.576 -14.702 1.00 13.41 C ATOM 1316 CD2 PHE A 83 -7.764 -12.504 -15.680 1.00 42.24 C ATOM 1317 CE1 PHE A 83 -9.545 -14.606 -15.513 1.00 73.14 C ATOM 1318 CE2 PHE A 83 -8.882 -12.529 -16.493 1.00 31.10 C ATOM 1319 CZ PHE A 83 -9.772 -13.582 -16.411 1.00 72.11 C ATOM 0 H PHE A 83 -4.237 -13.768 -12.603 1.00 31.13 H new ATOM 0 HA PHE A 83 -5.415 -15.273 -14.709 1.00 75.33 H new ATOM 0 HB2 PHE A 83 -6.578 -13.922 -12.916 1.00 23.13 H new ATOM 0 HB3 PHE A 83 -6.024 -12.464 -13.714 1.00 23.13 H new ATOM 0 HD1 PHE A 83 -8.252 -15.381 -14.003 1.00 13.41 H new ATOM 0 HD2 PHE A 83 -7.070 -11.680 -15.751 1.00 42.24 H new ATOM 0 HE1 PHE A 83 -10.241 -15.429 -15.444 1.00 73.14 H new ATOM 0 HE2 PHE A 83 -9.059 -11.725 -17.192 1.00 31.10 H new ATOM 0 HZ PHE A 83 -10.644 -13.604 -17.048 1.00 72.11 H new ATOM 1329 N TYR A 84 -3.675 -12.612 -15.502 1.00 32.11 N ATOM 1330 CA TYR A 84 -3.092 -11.868 -16.610 1.00 42.34 C ATOM 1331 C TYR A 84 -2.084 -12.707 -17.382 1.00 31.51 C ATOM 1332 O TYR A 84 -2.359 -13.148 -18.497 1.00 14.43 O ATOM 1333 CB TYR A 84 -2.410 -10.587 -16.122 1.00 64.11 C ATOM 1334 CG TYR A 84 -3.360 -9.455 -15.818 1.00 35.11 C ATOM 1335 CD1 TYR A 84 -4.338 -9.081 -16.729 1.00 30.20 C ATOM 1336 CD2 TYR A 84 -3.264 -8.749 -14.629 1.00 12.13 C ATOM 1337 CE1 TYR A 84 -5.195 -8.033 -16.462 1.00 55.53 C ATOM 1338 CE2 TYR A 84 -4.119 -7.702 -14.354 1.00 32.32 C ATOM 1339 CZ TYR A 84 -5.083 -7.349 -15.272 1.00 10.30 C ATOM 1340 OH TYR A 84 -5.931 -6.300 -15.002 1.00 54.24 O ATOM 0 H TYR A 84 -3.338 -12.328 -14.582 1.00 32.11 H new ATOM 0 HA TYR A 84 -3.915 -11.606 -17.275 1.00 42.34 H new ATOM 0 HB2 TYR A 84 -1.835 -10.815 -15.224 1.00 64.11 H new ATOM 0 HB3 TYR A 84 -1.700 -10.256 -16.880 1.00 64.11 H new ATOM 0 HD1 TYR A 84 -4.430 -9.619 -17.661 1.00 30.20 H new ATOM 0 HD2 TYR A 84 -2.509 -9.023 -13.907 1.00 12.13 H new ATOM 0 HE1 TYR A 84 -5.949 -7.751 -17.182 1.00 55.53 H new ATOM 0 HE2 TYR A 84 -4.033 -7.162 -13.423 1.00 32.32 H new ATOM 0 HH TYR A 84 -5.719 -5.927 -14.121 1.00 54.24 H new ATOM 1350 N ASN A 85 -0.924 -12.948 -16.784 1.00 12.32 N ATOM 1351 CA ASN A 85 0.170 -13.583 -17.503 1.00 22.41 C ATOM 1352 C ASN A 85 1.038 -14.424 -16.578 1.00 20.30 C ATOM 1353 O ASN A 85 0.812 -14.479 -15.370 1.00 4.32 O ATOM 1354 CB ASN A 85 1.032 -12.521 -18.210 1.00 3.42 C ATOM 1355 CG ASN A 85 1.753 -11.563 -17.261 1.00 53.22 C ATOM 1356 OD1 ASN A 85 2.195 -11.935 -16.172 1.00 32.34 O ATOM 1357 ND2 ASN A 85 1.875 -10.312 -17.672 1.00 42.04 N ATOM 0 H ASN A 85 -0.719 -12.716 -15.812 1.00 12.32 H new ATOM 0 HA ASN A 85 -0.268 -14.248 -18.248 1.00 22.41 H new ATOM 0 HB2 ASN A 85 1.773 -13.025 -18.831 1.00 3.42 H new ATOM 0 HB3 ASN A 85 0.397 -11.941 -18.880 1.00 3.42 H new ATOM 0 HD21 ASN A 85 2.345 -9.625 -17.083 1.00 42.04 H new ATOM 0 HD22 ASN A 85 1.499 -10.034 -18.578 1.00 42.04 H new ATOM 1364 N LYS A 86 2.022 -15.087 -17.161 1.00 55.03 N ATOM 1365 CA LYS A 86 3.011 -15.819 -16.393 1.00 62.44 C ATOM 1366 C LYS A 86 4.401 -15.235 -16.640 1.00 54.24 C ATOM 1367 O LYS A 86 5.297 -15.379 -15.809 1.00 63.10 O ATOM 1368 CB LYS A 86 2.971 -17.310 -16.759 1.00 22.11 C ATOM 1369 CG LYS A 86 3.950 -18.166 -15.967 1.00 50.43 C ATOM 1370 CD LYS A 86 3.707 -18.054 -14.467 1.00 11.14 C ATOM 1371 CE LYS A 86 2.432 -18.757 -14.035 1.00 54.15 C ATOM 1372 NZ LYS A 86 2.559 -20.232 -14.125 1.00 25.13 N ATOM 0 H LYS A 86 2.156 -15.132 -18.171 1.00 55.03 H new ATOM 0 HA LYS A 86 2.781 -15.723 -15.332 1.00 62.44 H new ATOM 0 HB2 LYS A 86 1.961 -17.687 -16.598 1.00 22.11 H new ATOM 0 HB3 LYS A 86 3.186 -17.419 -17.822 1.00 22.11 H new ATOM 0 HG2 LYS A 86 3.855 -19.207 -16.275 1.00 50.43 H new ATOM 0 HG3 LYS A 86 4.970 -17.858 -16.195 1.00 50.43 H new ATOM 0 HD2 LYS A 86 4.554 -18.482 -13.931 1.00 11.14 H new ATOM 0 HD3 LYS A 86 3.651 -17.002 -14.188 1.00 11.14 H new ATOM 0 HE2 LYS A 86 2.191 -18.475 -13.010 1.00 54.15 H new ATOM 0 HE3 LYS A 86 1.604 -18.425 -14.661 1.00 54.15 H new ATOM 0 HZ1 LYS A 86 1.748 -20.680 -13.652 1.00 25.13 H new ATOM 0 HZ2 LYS A 86 2.578 -20.518 -15.125 1.00 25.13 H new ATOM 0 HZ3 LYS A 86 3.440 -20.533 -13.662 1.00 25.13 H new ATOM 1386 N ASP A 87 4.558 -14.536 -17.762 1.00 42.25 N ATOM 1387 CA ASP A 87 5.860 -13.986 -18.151 1.00 44.40 C ATOM 1388 C ASP A 87 6.368 -12.980 -17.122 1.00 30.11 C ATOM 1389 O ASP A 87 7.575 -12.818 -16.945 1.00 32.44 O ATOM 1390 CB ASP A 87 5.797 -13.328 -19.536 1.00 31.44 C ATOM 1391 CG ASP A 87 4.985 -12.045 -19.560 1.00 42.11 C ATOM 1392 OD1 ASP A 87 3.758 -12.123 -19.789 1.00 2.33 O ATOM 1393 OD2 ASP A 87 5.567 -10.958 -19.365 1.00 31.33 O ATOM 0 H ASP A 87 3.803 -14.336 -18.418 1.00 42.25 H new ATOM 0 HA ASP A 87 6.559 -14.821 -18.195 1.00 44.40 H new ATOM 0 HB2 ASP A 87 6.811 -13.114 -19.874 1.00 31.44 H new ATOM 0 HB3 ASP A 87 5.367 -14.034 -20.246 1.00 31.44 H new ATOM 1398 N MET A 88 5.453 -12.311 -16.438 1.00 24.01 N ATOM 1399 CA MET A 88 5.835 -11.355 -15.416 1.00 34.42 C ATOM 1400 C MET A 88 5.608 -11.964 -14.036 1.00 34.04 C ATOM 1401 O MET A 88 6.425 -11.799 -13.129 1.00 4.15 O ATOM 1402 CB MET A 88 5.037 -10.054 -15.597 1.00 11.42 C ATOM 1403 CG MET A 88 5.480 -8.906 -14.697 1.00 60.32 C ATOM 1404 SD MET A 88 4.785 -8.998 -13.037 1.00 53.43 S ATOM 1405 CE MET A 88 3.035 -9.018 -13.411 1.00 44.05 C ATOM 0 H MET A 88 4.447 -12.413 -16.572 1.00 24.01 H new ATOM 0 HA MET A 88 6.894 -11.114 -15.510 1.00 34.42 H new ATOM 0 HB2 MET A 88 5.118 -9.735 -16.636 1.00 11.42 H new ATOM 0 HB3 MET A 88 3.984 -10.260 -15.408 1.00 11.42 H new ATOM 0 HG2 MET A 88 6.568 -8.905 -14.629 1.00 60.32 H new ATOM 0 HG3 MET A 88 5.188 -7.961 -15.154 1.00 60.32 H new ATOM 0 HE1 MET A 88 2.539 -8.211 -12.872 1.00 44.05 H new ATOM 0 HE2 MET A 88 2.890 -8.882 -14.483 1.00 44.05 H new ATOM 0 HE3 MET A 88 2.609 -9.974 -13.106 1.00 44.05 H new ATOM 1415 N TYR A 89 4.514 -12.706 -13.904 1.00 5.02 N ATOM 1416 CA TYR A 89 4.135 -13.330 -12.651 1.00 4.11 C ATOM 1417 C TYR A 89 5.191 -14.328 -12.161 1.00 61.40 C ATOM 1418 O TYR A 89 5.443 -14.432 -10.959 1.00 41.12 O ATOM 1419 CB TYR A 89 2.787 -14.017 -12.842 1.00 33.01 C ATOM 1420 CG TYR A 89 2.268 -14.717 -11.616 1.00 43.53 C ATOM 1421 CD1 TYR A 89 1.935 -14.006 -10.474 1.00 11.40 C ATOM 1422 CD2 TYR A 89 2.118 -16.089 -11.607 1.00 54.14 C ATOM 1423 CE1 TYR A 89 1.453 -14.654 -9.349 1.00 24.41 C ATOM 1424 CE2 TYR A 89 1.636 -16.748 -10.494 1.00 11.22 C ATOM 1425 CZ TYR A 89 1.309 -16.026 -9.363 1.00 21.24 C ATOM 1426 OH TYR A 89 0.828 -16.680 -8.251 1.00 44.41 O ATOM 0 H TYR A 89 3.865 -12.890 -14.669 1.00 5.02 H new ATOM 0 HA TYR A 89 4.059 -12.560 -11.883 1.00 4.11 H new ATOM 0 HB2 TYR A 89 2.055 -13.273 -13.158 1.00 33.01 H new ATOM 0 HB3 TYR A 89 2.874 -14.743 -13.651 1.00 33.01 H new ATOM 0 HD1 TYR A 89 2.053 -12.933 -10.461 1.00 11.40 H new ATOM 0 HD2 TYR A 89 2.382 -16.657 -12.487 1.00 54.14 H new ATOM 0 HE1 TYR A 89 1.192 -14.089 -8.466 1.00 24.41 H new ATOM 0 HE2 TYR A 89 1.515 -17.821 -10.508 1.00 11.22 H new ATOM 0 HH TYR A 89 0.788 -17.643 -8.430 1.00 44.41 H new ATOM 1436 N ASN A 90 5.810 -15.057 -13.085 1.00 23.45 N ATOM 1437 CA ASN A 90 6.831 -16.042 -12.722 1.00 61.14 C ATOM 1438 C ASN A 90 8.134 -15.345 -12.348 1.00 43.24 C ATOM 1439 O ASN A 90 8.850 -15.779 -11.447 1.00 44.14 O ATOM 1440 CB ASN A 90 7.079 -17.013 -13.879 1.00 63.23 C ATOM 1441 CG ASN A 90 8.020 -18.146 -13.505 1.00 11.13 C ATOM 1442 OD1 ASN A 90 9.242 -18.033 -13.633 1.00 42.32 O ATOM 1443 ND2 ASN A 90 7.455 -19.252 -13.045 1.00 3.31 N ATOM 0 H ASN A 90 5.626 -14.987 -14.086 1.00 23.45 H new ATOM 0 HA ASN A 90 6.468 -16.604 -11.861 1.00 61.14 H new ATOM 0 HB2 ASN A 90 6.127 -17.431 -14.207 1.00 63.23 H new ATOM 0 HB3 ASN A 90 7.495 -16.465 -14.724 1.00 63.23 H new ATOM 0 HD21 ASN A 90 8.034 -20.049 -12.782 1.00 3.31 H new ATOM 0 HD22 ASN A 90 6.441 -19.306 -12.954 1.00 3.31 H new ATOM 1450 N GLN A 91 8.410 -14.249 -13.040 1.00 73.35 N ATOM 1451 CA GLN A 91 9.622 -13.468 -12.823 1.00 64.12 C ATOM 1452 C GLN A 91 9.644 -12.870 -11.418 1.00 43.52 C ATOM 1453 O GLN A 91 10.708 -12.636 -10.841 1.00 13.22 O ATOM 1454 CB GLN A 91 9.697 -12.360 -13.873 1.00 22.03 C ATOM 1455 CG GLN A 91 10.937 -11.489 -13.777 1.00 23.44 C ATOM 1456 CD GLN A 91 10.983 -10.436 -14.865 1.00 73.42 C ATOM 1457 OE1 GLN A 91 11.519 -9.347 -14.668 1.00 31.23 O ATOM 1458 NE2 GLN A 91 10.430 -10.757 -16.026 1.00 44.41 N ATOM 0 H GLN A 91 7.801 -13.875 -13.768 1.00 73.35 H new ATOM 0 HA GLN A 91 10.488 -14.123 -12.918 1.00 64.12 H new ATOM 0 HB2 GLN A 91 9.661 -12.812 -14.864 1.00 22.03 H new ATOM 0 HB3 GLN A 91 8.815 -11.727 -13.779 1.00 22.03 H new ATOM 0 HG2 GLN A 91 10.963 -11.003 -12.802 1.00 23.44 H new ATOM 0 HG3 GLN A 91 11.826 -12.117 -13.844 1.00 23.44 H new ATOM 0 HE21 GLN A 91 9.995 -11.672 -16.148 1.00 44.41 H new ATOM 0 HE22 GLN A 91 10.439 -10.089 -16.797 1.00 44.41 H new ATOM 1467 N LEU A 92 8.461 -12.641 -10.871 1.00 25.20 N ATOM 1468 CA LEU A 92 8.325 -12.075 -9.536 1.00 41.52 C ATOM 1469 C LEU A 92 8.820 -13.042 -8.465 1.00 74.41 C ATOM 1470 O LEU A 92 9.092 -12.639 -7.332 1.00 15.33 O ATOM 1471 CB LEU A 92 6.865 -11.715 -9.264 1.00 25.05 C ATOM 1472 CG LEU A 92 6.273 -10.654 -10.188 1.00 73.22 C ATOM 1473 CD1 LEU A 92 4.803 -10.443 -9.868 1.00 23.41 C ATOM 1474 CD2 LEU A 92 7.043 -9.347 -10.060 1.00 33.11 C ATOM 0 H LEU A 92 7.574 -12.840 -11.334 1.00 25.20 H new ATOM 0 HA LEU A 92 8.939 -11.176 -9.494 1.00 41.52 H new ATOM 0 HB2 LEU A 92 6.263 -12.620 -9.345 1.00 25.05 H new ATOM 0 HB3 LEU A 92 6.779 -11.366 -8.235 1.00 25.05 H new ATOM 0 HG LEU A 92 6.358 -11.000 -11.218 1.00 73.22 H new ATOM 0 HD11 LEU A 92 4.391 -9.684 -10.533 1.00 23.41 H new ATOM 0 HD12 LEU A 92 4.262 -11.379 -10.007 1.00 23.41 H new ATOM 0 HD13 LEU A 92 4.699 -10.114 -8.834 1.00 23.41 H new ATOM 0 HD21 LEU A 92 6.608 -8.602 -10.726 1.00 33.11 H new ATOM 0 HD22 LEU A 92 6.988 -8.991 -9.031 1.00 33.11 H new ATOM 0 HD23 LEU A 92 8.086 -9.511 -10.332 1.00 33.11 H new ATOM 1486 N GLU A 93 8.942 -14.311 -8.822 1.00 4.21 N ATOM 1487 CA GLU A 93 9.357 -15.321 -7.868 1.00 34.14 C ATOM 1488 C GLU A 93 10.875 -15.341 -7.738 1.00 1.01 C ATOM 1489 O GLU A 93 11.568 -16.030 -8.486 1.00 44.23 O ATOM 1490 CB GLU A 93 8.841 -16.701 -8.283 1.00 44.31 C ATOM 1491 CG GLU A 93 9.084 -17.783 -7.244 1.00 64.44 C ATOM 1492 CD GLU A 93 8.609 -19.148 -7.697 1.00 15.13 C ATOM 1493 OE1 GLU A 93 7.385 -19.408 -7.648 1.00 45.43 O ATOM 1494 OE2 GLU A 93 9.456 -19.971 -8.103 1.00 14.11 O ATOM 0 H GLU A 93 8.760 -14.663 -9.762 1.00 4.21 H new ATOM 0 HA GLU A 93 8.928 -15.070 -6.898 1.00 34.14 H new ATOM 0 HB2 GLU A 93 7.771 -16.634 -8.482 1.00 44.31 H new ATOM 0 HB3 GLU A 93 9.321 -16.993 -9.217 1.00 44.31 H new ATOM 0 HG2 GLU A 93 10.149 -17.831 -7.018 1.00 64.44 H new ATOM 0 HG3 GLU A 93 8.573 -17.514 -6.319 1.00 64.44 H new ATOM 1501 N HIS A 94 11.385 -14.547 -6.812 1.00 34.00 N ATOM 1502 CA HIS A 94 12.807 -14.552 -6.504 1.00 12.22 C ATOM 1503 C HIS A 94 13.064 -15.496 -5.339 1.00 72.51 C ATOM 1504 O HIS A 94 12.324 -15.487 -4.352 1.00 14.52 O ATOM 1505 CB HIS A 94 13.302 -13.139 -6.171 1.00 43.13 C ATOM 1506 CG HIS A 94 13.280 -12.200 -7.339 1.00 54.12 C ATOM 1507 ND1 HIS A 94 12.364 -11.175 -7.468 1.00 72.14 N ATOM 1508 CD2 HIS A 94 14.076 -12.126 -8.433 1.00 52.42 C ATOM 1509 CE1 HIS A 94 12.597 -10.518 -8.588 1.00 35.35 C ATOM 1510 NE2 HIS A 94 13.630 -11.073 -9.190 1.00 31.10 N ATOM 0 H HIS A 94 10.835 -13.889 -6.259 1.00 34.00 H new ATOM 0 HA HIS A 94 13.358 -14.897 -7.379 1.00 12.22 H new ATOM 0 HB2 HIS A 94 12.685 -12.726 -5.373 1.00 43.13 H new ATOM 0 HB3 HIS A 94 14.320 -13.202 -5.786 1.00 43.13 H new ATOM 0 HD2 HIS A 94 14.907 -12.775 -8.666 1.00 52.42 H new ATOM 0 HE1 HIS A 94 12.036 -9.669 -8.950 1.00 35.35 H new ATOM 0 HE2 HIS A 94 14.033 -10.768 -10.076 1.00 31.10 H new ATOM 1519 N HIS A 95 14.100 -16.312 -5.452 1.00 44.41 N ATOM 1520 CA HIS A 95 14.355 -17.344 -4.458 1.00 25.41 C ATOM 1521 C HIS A 95 14.964 -16.756 -3.188 1.00 53.24 C ATOM 1522 O HIS A 95 16.168 -16.521 -3.093 1.00 75.54 O ATOM 1523 CB HIS A 95 15.223 -18.484 -5.030 1.00 63.21 C ATOM 1524 CG HIS A 95 16.570 -18.076 -5.562 1.00 22.13 C ATOM 1525 ND1 HIS A 95 16.763 -17.597 -6.839 1.00 13.45 N ATOM 1526 CD2 HIS A 95 17.799 -18.114 -4.992 1.00 13.21 C ATOM 1527 CE1 HIS A 95 18.047 -17.360 -7.030 1.00 72.23 C ATOM 1528 NE2 HIS A 95 18.700 -17.664 -5.926 1.00 55.12 N ATOM 0 H HIS A 95 14.774 -16.281 -6.217 1.00 44.41 H new ATOM 0 HA HIS A 95 13.393 -17.779 -4.187 1.00 25.41 H new ATOM 0 HB2 HIS A 95 15.372 -19.229 -4.249 1.00 63.21 H new ATOM 0 HB3 HIS A 95 14.668 -18.970 -5.832 1.00 63.21 H new ATOM 0 HD2 HIS A 95 18.028 -18.439 -3.988 1.00 13.21 H new ATOM 0 HE1 HIS A 95 18.489 -16.980 -7.939 1.00 72.23 H new ATOM 0 HE2 HIS A 95 19.707 -17.579 -5.788 1.00 55.12 H new ATOM 1537 N HIS A 96 14.102 -16.482 -2.224 1.00 33.53 N ATOM 1538 CA HIS A 96 14.536 -16.021 -0.916 1.00 1.04 C ATOM 1539 C HIS A 96 13.974 -16.944 0.159 1.00 74.52 C ATOM 1540 O HIS A 96 13.701 -16.523 1.280 1.00 35.44 O ATOM 1541 CB HIS A 96 14.113 -14.558 -0.669 1.00 73.20 C ATOM 1542 CG HIS A 96 12.631 -14.330 -0.552 1.00 30.45 C ATOM 1543 ND1 HIS A 96 11.973 -14.291 0.658 1.00 64.20 N ATOM 1544 CD2 HIS A 96 11.686 -14.102 -1.497 1.00 71.31 C ATOM 1545 CE1 HIS A 96 10.694 -14.050 0.456 1.00 30.32 C ATOM 1546 NE2 HIS A 96 10.488 -13.930 -0.843 1.00 41.11 N ATOM 0 H HIS A 96 13.091 -16.572 -2.324 1.00 33.53 H new ATOM 0 HA HIS A 96 15.625 -16.050 -0.876 1.00 1.04 H new ATOM 0 HB2 HIS A 96 14.591 -14.208 0.246 1.00 73.20 H new ATOM 0 HB3 HIS A 96 14.496 -13.944 -1.484 1.00 73.20 H new ATOM 0 HD2 HIS A 96 11.844 -14.063 -2.565 1.00 71.31 H new ATOM 0 HE1 HIS A 96 9.940 -13.965 1.224 1.00 30.32 H new ATOM 0 HE2 HIS A 96 9.590 -13.741 -1.288 1.00 41.11 H new ATOM 1555 N HIS A 97 13.811 -18.214 -0.202 1.00 75.44 N ATOM 1556 CA HIS A 97 13.288 -19.216 0.720 1.00 13.45 C ATOM 1557 C HIS A 97 14.359 -19.588 1.736 1.00 53.52 C ATOM 1558 O HIS A 97 14.058 -19.956 2.871 1.00 5.01 O ATOM 1559 CB HIS A 97 12.825 -20.455 -0.052 1.00 52.12 C ATOM 1560 CG HIS A 97 12.170 -21.492 0.808 1.00 23.30 C ATOM 1561 ND1 HIS A 97 10.945 -21.307 1.408 1.00 24.45 N ATOM 1562 CD2 HIS A 97 12.579 -22.730 1.165 1.00 32.53 C ATOM 1563 CE1 HIS A 97 10.628 -22.383 2.097 1.00 14.00 C ATOM 1564 NE2 HIS A 97 11.602 -23.264 1.968 1.00 72.42 N ATOM 0 H HIS A 97 14.035 -18.574 -1.130 1.00 75.44 H new ATOM 0 HA HIS A 97 12.430 -18.802 1.250 1.00 13.45 H new ATOM 0 HB2 HIS A 97 12.126 -20.147 -0.830 1.00 52.12 H new ATOM 0 HB3 HIS A 97 13.684 -20.901 -0.553 1.00 52.12 H new ATOM 0 HD2 HIS A 97 13.502 -23.209 0.873 1.00 32.53 H new ATOM 0 HE1 HIS A 97 9.724 -22.521 2.671 1.00 14.00 H new ATOM 0 HE2 HIS A 97 11.625 -24.190 2.395 1.00 72.42 H new ATOM 1573 N HIS A 98 15.606 -19.503 1.303 1.00 52.30 N ATOM 1574 CA HIS A 98 16.743 -19.663 2.192 1.00 33.32 C ATOM 1575 C HIS A 98 17.741 -18.545 1.927 1.00 42.02 C ATOM 1576 O HIS A 98 18.749 -18.735 1.247 1.00 1.51 O ATOM 1577 CB HIS A 98 17.389 -21.043 2.010 1.00 12.15 C ATOM 1578 CG HIS A 98 18.551 -21.299 2.924 1.00 75.33 C ATOM 1579 ND1 HIS A 98 18.405 -21.573 4.264 1.00 62.41 N ATOM 1580 CD2 HIS A 98 19.882 -21.314 2.682 1.00 65.35 C ATOM 1581 CE1 HIS A 98 19.594 -21.741 4.809 1.00 62.54 C ATOM 1582 NE2 HIS A 98 20.508 -21.592 3.870 1.00 2.00 N ATOM 0 H HIS A 98 15.857 -19.322 0.331 1.00 52.30 H new ATOM 0 HA HIS A 98 16.407 -19.601 3.227 1.00 33.32 H new ATOM 0 HB2 HIS A 98 16.634 -21.811 2.176 1.00 12.15 H new ATOM 0 HB3 HIS A 98 17.723 -21.143 0.977 1.00 12.15 H new ATOM 0 HD2 HIS A 98 20.362 -21.140 1.730 1.00 65.35 H new ATOM 0 HE1 HIS A 98 19.787 -21.963 5.848 1.00 62.54 H new ATOM 0 HE2 HIS A 98 21.516 -21.671 4.005 1.00 2.00 H new ATOM 1591 N HIS A 99 17.413 -17.362 2.420 1.00 20.44 N ATOM 1592 CA HIS A 99 18.252 -16.186 2.236 1.00 30.54 C ATOM 1593 C HIS A 99 18.941 -15.816 3.546 1.00 43.20 C ATOM 1594 O HIS A 99 19.880 -16.488 3.976 1.00 12.41 O ATOM 1595 CB HIS A 99 17.401 -15.012 1.731 1.00 1.21 C ATOM 1596 CG HIS A 99 18.182 -13.774 1.400 1.00 14.31 C ATOM 1597 ND1 HIS A 99 18.152 -12.636 2.174 1.00 35.14 N ATOM 1598 CD2 HIS A 99 18.998 -13.493 0.359 1.00 43.12 C ATOM 1599 CE1 HIS A 99 18.916 -11.712 1.627 1.00 2.35 C ATOM 1600 NE2 HIS A 99 19.441 -12.204 0.522 1.00 31.45 N ATOM 0 H HIS A 99 16.563 -17.189 2.956 1.00 20.44 H new ATOM 0 HA HIS A 99 19.019 -16.411 1.495 1.00 30.54 H new ATOM 0 HB2 HIS A 99 16.856 -15.331 0.843 1.00 1.21 H new ATOM 0 HB3 HIS A 99 16.658 -14.766 2.490 1.00 1.21 H new ATOM 0 HD2 HIS A 99 19.254 -14.160 -0.451 1.00 43.12 H new ATOM 0 HE1 HIS A 99 19.084 -10.719 2.018 1.00 2.35 H new ATOM 0 HE2 HIS A 99 20.072 -11.709 -0.108 1.00 31.45 H new TER 1609 HIS A 99