USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=24 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 90 ASN : amide:sc= -0.239 K(o=-0.37,f=-1.5) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.134 X(o=-0.37,f=-0.47) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.121 (180deg=-0.735) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.132 (180deg=-0.137) USER MOD Single : A 3 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.79) USER MOD Single : A 5 LYS NZ :NH3+ -133:sc= 1.25 (180deg=0.72) USER MOD Single : A 6 THR OG1 : rot 70:sc= 0.011 USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 1.33 (180deg=0.954) USER MOD Single : A 12 ASN : amide:sc= 0.138 K(o=0.14,f=-0.74) USER MOD Single : A 13 GLN : amide:sc= -0.666 K(o=-0.67,f=-0.0047) USER MOD Single : A 18 ASN : amide:sc= 0.853 K(o=0.85,f=-0.24) USER MOD Single : A 21 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.14) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 29 THR OG1 : rot -65:sc= 0.918 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 -159:sc= -1.79 (180deg=-3.17!) USER MOD Single : A 43 ASN : amide:sc= 0.218 K(o=0.22,f=-9.6!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -0.0223 (180deg=-0.19) USER MOD Single : A 52 GLN : amide:sc= -0.741 K(o=-0.74,f=-0.17) USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= -0.0351 (180deg=-0.246) USER MOD Single : A 56 ASN : amide:sc= -0.0221 K(o=-0.022,f=-0.8) USER MOD Single : A 57 ASN : amide:sc= 1.04 K(o=1,f=-1.1) USER MOD Single : A 58 TYR OH : rot 15:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.583 K(o=0.58,f=-0.11) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.517 K(o=0.52,f=-5.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.115 USER MOD Single : A 72 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.87) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= -0.027 (180deg=-0.19) USER MOD Single : A 76 MET CE :methyl -127:sc= -0.0885 (180deg=-0.772) USER MOD Single : A 78 MET CE :methyl 157:sc= -0.348 (180deg=-0.905) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.657 K(o=0.66,f=-7.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 161:sc= -1.07 (180deg=-1.84) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.999 K(o=-1,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 1.22 K(o=1.2,f=-5.3!) USER MOD Single : A 96 HIS : no HE2:sc= 0.0575 X(o=0.058,f=-0.37) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HE2:sc= 0.539 K(o=0.54,f=-2.1!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.805 11.842 14.687 1.00 32.14 N ATOM 2 CA MET A 1 -3.263 10.442 14.823 1.00 23.24 C ATOM 3 C MET A 1 -4.224 10.070 13.693 1.00 34.42 C ATOM 4 O MET A 1 -4.559 8.896 13.509 1.00 11.22 O ATOM 5 CB MET A 1 -3.945 10.249 16.182 1.00 72.12 C ATOM 6 CG MET A 1 -4.328 8.806 16.480 1.00 63.02 C ATOM 7 SD MET A 1 -5.033 8.598 18.125 1.00 21.21 S ATOM 8 CE MET A 1 -3.637 9.058 19.148 1.00 23.12 C ATOM 0 H1 MET A 1 -2.128 12.061 15.445 1.00 32.14 H new ATOM 0 H2 MET A 1 -2.343 11.968 13.764 1.00 32.14 H new ATOM 0 H3 MET A 1 -3.621 12.483 14.756 1.00 32.14 H new ATOM 0 HA MET A 1 -2.395 9.786 14.760 1.00 23.24 H new ATOM 0 HB2 MET A 1 -3.278 10.607 16.966 1.00 72.12 H new ATOM 0 HB3 MET A 1 -4.842 10.868 16.219 1.00 72.12 H new ATOM 0 HG2 MET A 1 -5.047 8.464 15.735 1.00 63.02 H new ATOM 0 HG3 MET A 1 -3.446 8.173 16.385 1.00 63.02 H new ATOM 0 HE1 MET A 1 -3.571 8.381 19.999 1.00 23.12 H new ATOM 0 HE2 MET A 1 -2.720 8.995 18.562 1.00 23.12 H new ATOM 0 HE3 MET A 1 -3.769 10.079 19.506 1.00 23.12 H new ATOM 20 N ASP A 2 -4.662 11.059 12.923 1.00 74.55 N ATOM 21 CA ASP A 2 -5.632 10.809 11.864 1.00 51.14 C ATOM 22 C ASP A 2 -5.052 11.135 10.496 1.00 71.42 C ATOM 23 O ASP A 2 -5.780 11.164 9.505 1.00 50.01 O ATOM 24 CB ASP A 2 -6.910 11.626 12.061 1.00 63.50 C ATOM 25 CG ASP A 2 -7.624 11.347 13.372 1.00 12.20 C ATOM 26 OD1 ASP A 2 -7.185 11.868 14.420 1.00 60.22 O ATOM 27 OD2 ASP A 2 -8.654 10.635 13.361 1.00 11.45 O ATOM 0 H ASP A 2 -4.365 12.031 13.010 1.00 74.55 H new ATOM 0 HA ASP A 2 -5.876 9.748 11.915 1.00 51.14 H new ATOM 0 HB2 ASP A 2 -6.663 12.686 12.012 1.00 63.50 H new ATOM 0 HB3 ASP A 2 -7.592 11.420 11.236 1.00 63.50 H new ATOM 32 N GLN A 3 -3.749 11.385 10.440 1.00 42.10 N ATOM 33 CA GLN A 3 -3.082 11.673 9.173 1.00 53.11 C ATOM 34 C GLN A 3 -3.325 10.539 8.181 1.00 11.22 C ATOM 35 O GLN A 3 -3.640 10.769 7.014 1.00 2.21 O ATOM 36 CB GLN A 3 -1.585 11.862 9.399 1.00 34.05 C ATOM 37 CG GLN A 3 -0.799 12.069 8.120 1.00 21.14 C ATOM 38 CD GLN A 3 0.692 12.122 8.362 1.00 2.20 C ATOM 39 OE1 GLN A 3 1.155 12.589 9.401 1.00 21.12 O ATOM 40 NE2 GLN A 3 1.452 11.606 7.417 1.00 23.31 N ATOM 0 H GLN A 3 -3.134 11.394 11.254 1.00 42.10 H new ATOM 0 HA GLN A 3 -3.494 12.594 8.761 1.00 53.11 H new ATOM 0 HB2 GLN A 3 -1.430 12.720 10.053 1.00 34.05 H new ATOM 0 HB3 GLN A 3 -1.192 10.989 9.920 1.00 34.05 H new ATOM 0 HG2 GLN A 3 -1.023 11.260 7.424 1.00 21.14 H new ATOM 0 HG3 GLN A 3 -1.120 12.996 7.645 1.00 21.14 H new ATOM 0 HE21 GLN A 3 1.027 11.229 6.570 1.00 23.31 H new ATOM 0 HE22 GLN A 3 2.465 11.584 7.533 1.00 23.31 H new ATOM 49 N LEU A 4 -3.172 9.318 8.671 1.00 54.55 N ATOM 50 CA LEU A 4 -3.502 8.113 7.917 1.00 24.04 C ATOM 51 C LEU A 4 -4.915 8.178 7.340 1.00 31.03 C ATOM 52 O LEU A 4 -5.139 7.826 6.182 1.00 74.11 O ATOM 53 CB LEU A 4 -3.398 6.903 8.838 1.00 51.10 C ATOM 54 CG LEU A 4 -1.979 6.543 9.285 1.00 71.45 C ATOM 55 CD1 LEU A 4 -2.007 5.380 10.266 1.00 42.33 C ATOM 56 CD2 LEU A 4 -1.107 6.206 8.083 1.00 14.23 C ATOM 0 H LEU A 4 -2.814 9.132 9.608 1.00 54.55 H new ATOM 0 HA LEU A 4 -2.799 8.030 7.088 1.00 24.04 H new ATOM 0 HB2 LEU A 4 -4.005 7.088 9.724 1.00 51.10 H new ATOM 0 HB3 LEU A 4 -3.831 6.041 8.330 1.00 51.10 H new ATOM 0 HG LEU A 4 -1.549 7.409 9.789 1.00 71.45 H new ATOM 0 HD11 LEU A 4 -0.989 5.138 10.573 1.00 42.33 H new ATOM 0 HD12 LEU A 4 -2.594 5.657 11.142 1.00 42.33 H new ATOM 0 HD13 LEU A 4 -2.458 4.511 9.787 1.00 42.33 H new ATOM 0 HD21 LEU A 4 -0.102 5.953 8.422 1.00 14.23 H new ATOM 0 HD22 LEU A 4 -1.535 5.357 7.550 1.00 14.23 H new ATOM 0 HD23 LEU A 4 -1.059 7.067 7.416 1.00 14.23 H new ATOM 68 N LYS A 5 -5.858 8.627 8.159 1.00 40.14 N ATOM 69 CA LYS A 5 -7.252 8.734 7.748 1.00 13.05 C ATOM 70 C LYS A 5 -7.390 9.753 6.621 1.00 1.12 C ATOM 71 O LYS A 5 -8.133 9.541 5.663 1.00 61.55 O ATOM 72 CB LYS A 5 -8.116 9.133 8.943 1.00 21.24 C ATOM 73 CG LYS A 5 -9.610 9.098 8.674 1.00 33.33 C ATOM 74 CD LYS A 5 -10.397 9.491 9.912 1.00 23.12 C ATOM 75 CE LYS A 5 -10.128 10.931 10.311 1.00 42.43 C ATOM 76 NZ LYS A 5 -10.700 11.248 11.643 1.00 21.10 N ATOM 0 H LYS A 5 -5.681 8.925 9.118 1.00 40.14 H new ATOM 0 HA LYS A 5 -7.592 7.766 7.380 1.00 13.05 H new ATOM 0 HB2 LYS A 5 -7.893 8.466 9.776 1.00 21.24 H new ATOM 0 HB3 LYS A 5 -7.839 10.139 9.257 1.00 21.24 H new ATOM 0 HG2 LYS A 5 -9.851 9.776 7.855 1.00 33.33 H new ATOM 0 HG3 LYS A 5 -9.902 8.097 8.356 1.00 33.33 H new ATOM 0 HD2 LYS A 5 -11.462 9.358 9.724 1.00 23.12 H new ATOM 0 HD3 LYS A 5 -10.134 8.829 10.737 1.00 23.12 H new ATOM 0 HE2 LYS A 5 -9.053 11.110 10.325 1.00 42.43 H new ATOM 0 HE3 LYS A 5 -10.553 11.601 9.564 1.00 42.43 H new ATOM 0 HZ1 LYS A 5 -11.217 12.149 11.593 1.00 21.10 H new ATOM 0 HZ2 LYS A 5 -11.351 10.490 11.930 1.00 21.10 H new ATOM 0 HZ3 LYS A 5 -9.933 11.328 12.340 1.00 21.10 H new ATOM 90 N THR A 6 -6.656 10.851 6.741 1.00 61.24 N ATOM 91 CA THR A 6 -6.590 11.858 5.694 1.00 75.51 C ATOM 92 C THR A 6 -6.091 11.241 4.385 1.00 20.35 C ATOM 93 O THR A 6 -6.638 11.501 3.309 1.00 31.13 O ATOM 94 CB THR A 6 -5.650 13.008 6.118 1.00 25.14 C ATOM 95 OG1 THR A 6 -6.140 13.617 7.320 1.00 51.24 O ATOM 96 CG2 THR A 6 -5.517 14.057 5.023 1.00 24.11 C ATOM 0 H THR A 6 -6.092 11.067 7.563 1.00 61.24 H new ATOM 0 HA THR A 6 -7.593 12.254 5.537 1.00 75.51 H new ATOM 0 HB THR A 6 -4.661 12.585 6.296 1.00 25.14 H new ATOM 0 HG1 THR A 6 -6.027 12.997 8.071 1.00 51.24 H new ATOM 0 HG21 THR A 6 -4.848 14.850 5.358 1.00 24.11 H new ATOM 0 HG22 THR A 6 -5.110 13.595 4.124 1.00 24.11 H new ATOM 0 HG23 THR A 6 -6.498 14.479 4.802 1.00 24.11 H new ATOM 104 N ILE A 7 -5.065 10.406 4.500 1.00 43.23 N ATOM 105 CA ILE A 7 -4.460 9.745 3.350 1.00 14.11 C ATOM 106 C ILE A 7 -5.452 8.823 2.648 1.00 63.20 C ATOM 107 O ILE A 7 -5.640 8.910 1.435 1.00 63.14 O ATOM 108 CB ILE A 7 -3.219 8.937 3.778 1.00 73.13 C ATOM 109 CG1 ILE A 7 -2.185 9.876 4.400 1.00 44.32 C ATOM 110 CG2 ILE A 7 -2.628 8.182 2.592 1.00 23.13 C ATOM 111 CD1 ILE A 7 -1.057 9.165 5.111 1.00 21.22 C ATOM 0 H ILE A 7 -4.630 10.168 5.391 1.00 43.23 H new ATOM 0 HA ILE A 7 -4.160 10.525 2.650 1.00 14.11 H new ATOM 0 HB ILE A 7 -3.516 8.198 4.523 1.00 73.13 H new ATOM 0 HG12 ILE A 7 -1.766 10.508 3.617 1.00 44.32 H new ATOM 0 HG13 ILE A 7 -2.688 10.536 5.107 1.00 44.32 H new ATOM 0 HG21 ILE A 7 -1.753 7.619 2.918 1.00 23.13 H new ATOM 0 HG22 ILE A 7 -3.373 7.495 2.190 1.00 23.13 H new ATOM 0 HG23 ILE A 7 -2.335 8.892 1.818 1.00 23.13 H new ATOM 0 HD11 ILE A 7 -0.367 9.900 5.524 1.00 21.22 H new ATOM 0 HD12 ILE A 7 -1.463 8.555 5.918 1.00 21.22 H new ATOM 0 HD13 ILE A 7 -0.527 8.526 4.404 1.00 21.22 H new ATOM 123 N LYS A 8 -6.098 7.951 3.412 1.00 61.24 N ATOM 124 CA LYS A 8 -7.038 6.996 2.834 1.00 41.22 C ATOM 125 C LYS A 8 -8.256 7.701 2.235 1.00 63.12 C ATOM 126 O LYS A 8 -8.828 7.227 1.253 1.00 33.33 O ATOM 127 CB LYS A 8 -7.447 5.935 3.863 1.00 1.12 C ATOM 128 CG LYS A 8 -7.892 6.493 5.203 1.00 44.33 C ATOM 129 CD LYS A 8 -8.085 5.387 6.233 1.00 3.15 C ATOM 130 CE LYS A 8 -6.799 4.600 6.458 1.00 12.50 C ATOM 131 NZ LYS A 8 -6.977 3.496 7.440 1.00 71.32 N ATOM 0 H LYS A 8 -5.991 7.884 4.424 1.00 61.24 H new ATOM 0 HA LYS A 8 -6.531 6.483 2.017 1.00 41.22 H new ATOM 0 HB2 LYS A 8 -8.257 5.337 3.446 1.00 1.12 H new ATOM 0 HB3 LYS A 8 -6.605 5.262 4.026 1.00 1.12 H new ATOM 0 HG2 LYS A 8 -7.150 7.204 5.566 1.00 44.33 H new ATOM 0 HG3 LYS A 8 -8.825 7.042 5.078 1.00 44.33 H new ATOM 0 HD2 LYS A 8 -8.416 5.821 7.176 1.00 3.15 H new ATOM 0 HD3 LYS A 8 -8.872 4.711 5.899 1.00 3.15 H new ATOM 0 HE2 LYS A 8 -6.457 4.187 5.509 1.00 12.50 H new ATOM 0 HE3 LYS A 8 -6.019 5.275 6.811 1.00 12.50 H new ATOM 0 HZ1 LYS A 8 -6.290 2.741 7.241 1.00 71.32 H new ATOM 0 HZ2 LYS A 8 -6.823 3.859 8.402 1.00 71.32 H new ATOM 0 HZ3 LYS A 8 -7.942 3.116 7.364 1.00 71.32 H new ATOM 145 N GLU A 9 -8.637 8.841 2.808 1.00 34.03 N ATOM 146 CA GLU A 9 -9.700 9.662 2.231 1.00 43.44 C ATOM 147 C GLU A 9 -9.284 10.192 0.862 1.00 34.43 C ATOM 148 O GLU A 9 -10.096 10.255 -0.061 1.00 10.40 O ATOM 149 CB GLU A 9 -10.065 10.825 3.157 1.00 4.33 C ATOM 150 CG GLU A 9 -10.894 10.407 4.360 1.00 43.51 C ATOM 151 CD GLU A 9 -12.237 9.825 3.965 1.00 72.54 C ATOM 152 OE1 GLU A 9 -12.294 8.621 3.645 1.00 41.25 O ATOM 153 OE2 GLU A 9 -13.240 10.568 3.972 1.00 24.14 O ATOM 0 H GLU A 9 -8.229 9.215 3.665 1.00 34.03 H new ATOM 0 HA GLU A 9 -10.581 9.031 2.113 1.00 43.44 H new ATOM 0 HB2 GLU A 9 -9.149 11.302 3.505 1.00 4.33 H new ATOM 0 HB3 GLU A 9 -10.617 11.572 2.588 1.00 4.33 H new ATOM 0 HG2 GLU A 9 -10.339 9.671 4.941 1.00 43.51 H new ATOM 0 HG3 GLU A 9 -11.052 11.270 5.006 1.00 43.51 H new ATOM 160 N LEU A 10 -8.018 10.577 0.736 1.00 75.00 N ATOM 161 CA LEU A 10 -7.472 11.003 -0.550 1.00 72.41 C ATOM 162 C LEU A 10 -7.528 9.857 -1.550 1.00 72.13 C ATOM 163 O LEU A 10 -7.924 10.039 -2.701 1.00 14.21 O ATOM 164 CB LEU A 10 -6.028 11.487 -0.393 1.00 34.05 C ATOM 165 CG LEU A 10 -5.857 12.803 0.366 1.00 63.22 C ATOM 166 CD1 LEU A 10 -4.393 13.041 0.704 1.00 41.15 C ATOM 167 CD2 LEU A 10 -6.404 13.959 -0.456 1.00 4.15 C ATOM 0 H LEU A 10 -7.351 10.603 1.507 1.00 75.00 H new ATOM 0 HA LEU A 10 -8.077 11.831 -0.920 1.00 72.41 H new ATOM 0 HB2 LEU A 10 -5.457 10.714 0.121 1.00 34.05 H new ATOM 0 HB3 LEU A 10 -5.590 11.600 -1.385 1.00 34.05 H new ATOM 0 HG LEU A 10 -6.418 12.739 1.298 1.00 63.22 H new ATOM 0 HD11 LEU A 10 -4.293 13.983 1.244 1.00 41.15 H new ATOM 0 HD12 LEU A 10 -4.026 12.225 1.326 1.00 41.15 H new ATOM 0 HD13 LEU A 10 -3.810 13.086 -0.216 1.00 41.15 H new ATOM 0 HD21 LEU A 10 -6.276 14.890 0.096 1.00 4.15 H new ATOM 0 HD22 LEU A 10 -5.865 14.020 -1.401 1.00 4.15 H new ATOM 0 HD23 LEU A 10 -7.464 13.796 -0.653 1.00 4.15 H new ATOM 179 N ILE A 11 -7.148 8.673 -1.087 1.00 4.51 N ATOM 180 CA ILE A 11 -7.173 7.470 -1.910 1.00 73.21 C ATOM 181 C ILE A 11 -8.586 7.197 -2.430 1.00 42.34 C ATOM 182 O ILE A 11 -8.767 6.819 -3.588 1.00 73.32 O ATOM 183 CB ILE A 11 -6.658 6.247 -1.116 1.00 1.14 C ATOM 184 CG1 ILE A 11 -5.238 6.514 -0.605 1.00 35.42 C ATOM 185 CG2 ILE A 11 -6.684 4.993 -1.980 1.00 51.32 C ATOM 186 CD1 ILE A 11 -4.687 5.419 0.281 1.00 61.41 C ATOM 0 H ILE A 11 -6.815 8.519 -0.135 1.00 4.51 H new ATOM 0 HA ILE A 11 -6.512 7.636 -2.761 1.00 73.21 H new ATOM 0 HB ILE A 11 -7.316 6.085 -0.262 1.00 1.14 H new ATOM 0 HG12 ILE A 11 -4.574 6.644 -1.459 1.00 35.42 H new ATOM 0 HG13 ILE A 11 -5.233 7.453 -0.051 1.00 35.42 H new ATOM 0 HG21 ILE A 11 -6.318 4.145 -1.402 1.00 51.32 H new ATOM 0 HG22 ILE A 11 -7.706 4.796 -2.305 1.00 51.32 H new ATOM 0 HG23 ILE A 11 -6.047 5.139 -2.853 1.00 51.32 H new ATOM 0 HD11 ILE A 11 -3.679 5.683 0.601 1.00 61.41 H new ATOM 0 HD12 ILE A 11 -5.327 5.302 1.156 1.00 61.41 H new ATOM 0 HD13 ILE A 11 -4.658 4.482 -0.275 1.00 61.41 H new ATOM 198 N ASN A 12 -9.581 7.413 -1.576 1.00 31.03 N ATOM 199 CA ASN A 12 -10.982 7.241 -1.968 1.00 33.41 C ATOM 200 C ASN A 12 -11.358 8.226 -3.068 1.00 22.11 C ATOM 201 O ASN A 12 -12.061 7.877 -4.018 1.00 40.34 O ATOM 202 CB ASN A 12 -11.918 7.443 -0.772 1.00 51.24 C ATOM 203 CG ASN A 12 -11.732 6.406 0.317 1.00 73.32 C ATOM 204 OD1 ASN A 12 -11.334 5.271 0.054 1.00 72.02 O ATOM 205 ND2 ASN A 12 -12.020 6.787 1.551 1.00 45.42 N ATOM 0 H ASN A 12 -9.447 7.707 -0.609 1.00 31.03 H new ATOM 0 HA ASN A 12 -11.094 6.222 -2.339 1.00 33.41 H new ATOM 0 HB2 ASN A 12 -11.751 8.435 -0.352 1.00 51.24 H new ATOM 0 HB3 ASN A 12 -12.951 7.414 -1.119 1.00 51.24 H new ATOM 0 HD21 ASN A 12 -11.915 6.131 2.325 1.00 45.42 H new ATOM 0 HD22 ASN A 12 -12.347 7.737 1.728 1.00 45.42 H new ATOM 212 N GLN A 13 -10.881 9.459 -2.929 1.00 12.41 N ATOM 213 CA GLN A 13 -11.181 10.522 -3.883 1.00 63.02 C ATOM 214 C GLN A 13 -10.452 10.301 -5.202 1.00 70.33 C ATOM 215 O GLN A 13 -10.832 10.852 -6.235 1.00 0.12 O ATOM 216 CB GLN A 13 -10.781 11.876 -3.295 1.00 74.44 C ATOM 217 CG GLN A 13 -11.588 12.268 -2.072 1.00 3.41 C ATOM 218 CD GLN A 13 -11.013 13.472 -1.358 1.00 31.11 C ATOM 219 OE1 GLN A 13 -11.344 14.617 -1.666 1.00 70.43 O ATOM 220 NE2 GLN A 13 -10.148 13.216 -0.391 1.00 35.13 N ATOM 0 H GLN A 13 -10.280 9.749 -2.158 1.00 12.41 H new ATOM 0 HA GLN A 13 -12.253 10.509 -4.078 1.00 63.02 H new ATOM 0 HB2 GLN A 13 -9.724 11.850 -3.030 1.00 74.44 H new ATOM 0 HB3 GLN A 13 -10.899 12.644 -4.059 1.00 74.44 H new ATOM 0 HG2 GLN A 13 -12.614 12.483 -2.372 1.00 3.41 H new ATOM 0 HG3 GLN A 13 -11.628 11.425 -1.382 1.00 3.41 H new ATOM 0 HE21 GLN A 13 -9.902 12.251 -0.169 1.00 35.13 H new ATOM 0 HE22 GLN A 13 -9.727 13.983 0.133 1.00 35.13 H new ATOM 229 N GLY A 14 -9.402 9.498 -5.162 1.00 33.33 N ATOM 230 CA GLY A 14 -8.617 9.256 -6.351 1.00 41.14 C ATOM 231 C GLY A 14 -7.387 10.136 -6.396 1.00 31.30 C ATOM 232 O GLY A 14 -6.690 10.196 -7.410 1.00 22.51 O ATOM 0 H GLY A 14 -9.079 9.009 -4.327 1.00 33.33 H new ATOM 0 HA2 GLY A 14 -8.317 8.209 -6.382 1.00 41.14 H new ATOM 0 HA3 GLY A 14 -9.228 9.439 -7.235 1.00 41.14 H new ATOM 236 N ASP A 15 -7.125 10.826 -5.293 1.00 43.11 N ATOM 237 CA ASP A 15 -5.947 11.673 -5.187 1.00 11.12 C ATOM 238 C ASP A 15 -4.791 10.848 -4.637 1.00 32.33 C ATOM 239 O ASP A 15 -4.441 10.930 -3.456 1.00 42.30 O ATOM 240 CB ASP A 15 -6.215 12.883 -4.289 1.00 33.42 C ATOM 241 CG ASP A 15 -5.211 13.998 -4.505 1.00 33.21 C ATOM 242 OD1 ASP A 15 -3.998 13.712 -4.589 1.00 54.25 O ATOM 243 OD2 ASP A 15 -5.636 15.173 -4.592 1.00 62.11 O ATOM 0 H ASP A 15 -7.713 10.815 -4.460 1.00 43.11 H new ATOM 0 HA ASP A 15 -5.691 12.050 -6.177 1.00 11.12 H new ATOM 0 HB2 ASP A 15 -7.219 13.260 -4.482 1.00 33.42 H new ATOM 0 HB3 ASP A 15 -6.187 12.570 -3.245 1.00 33.42 H new ATOM 248 N ILE A 16 -4.237 10.019 -5.502 1.00 45.12 N ATOM 249 CA ILE A 16 -3.214 9.067 -5.115 1.00 42.31 C ATOM 250 C ILE A 16 -1.894 9.766 -4.818 1.00 13.32 C ATOM 251 O ILE A 16 -1.175 9.392 -3.893 1.00 24.43 O ATOM 252 CB ILE A 16 -3.006 8.007 -6.220 1.00 32.21 C ATOM 253 CG1 ILE A 16 -4.328 7.297 -6.540 1.00 65.10 C ATOM 254 CG2 ILE A 16 -1.943 7.000 -5.809 1.00 14.43 C ATOM 255 CD1 ILE A 16 -4.976 6.631 -5.343 1.00 13.14 C ATOM 0 H ILE A 16 -4.483 9.987 -6.491 1.00 45.12 H new ATOM 0 HA ILE A 16 -3.556 8.571 -4.206 1.00 42.31 H new ATOM 0 HB ILE A 16 -2.661 8.516 -7.120 1.00 32.21 H new ATOM 0 HG12 ILE A 16 -5.025 8.022 -6.961 1.00 65.10 H new ATOM 0 HG13 ILE A 16 -4.148 6.545 -7.308 1.00 65.10 H new ATOM 0 HG21 ILE A 16 -1.814 6.264 -6.602 1.00 14.43 H new ATOM 0 HG22 ILE A 16 -0.999 7.517 -5.636 1.00 14.43 H new ATOM 0 HG23 ILE A 16 -2.253 6.496 -4.893 1.00 14.43 H new ATOM 0 HD11 ILE A 16 -5.905 6.152 -5.652 1.00 13.14 H new ATOM 0 HD12 ILE A 16 -4.299 5.881 -4.934 1.00 13.14 H new ATOM 0 HD13 ILE A 16 -5.190 7.381 -4.581 1.00 13.14 H new ATOM 267 N GLU A 17 -1.598 10.801 -5.587 1.00 22.31 N ATOM 268 CA GLU A 17 -0.314 11.476 -5.494 1.00 14.23 C ATOM 269 C GLU A 17 -0.152 12.207 -4.162 1.00 32.34 C ATOM 270 O GLU A 17 0.925 12.175 -3.563 1.00 2.00 O ATOM 271 CB GLU A 17 -0.135 12.429 -6.674 1.00 14.04 C ATOM 272 CG GLU A 17 -0.066 11.706 -8.012 1.00 71.55 C ATOM 273 CD GLU A 17 0.165 12.639 -9.180 1.00 53.32 C ATOM 274 OE1 GLU A 17 1.278 13.191 -9.291 1.00 45.11 O ATOM 275 OE2 GLU A 17 -0.759 12.810 -10.004 1.00 4.33 O ATOM 0 H GLU A 17 -2.231 11.193 -6.284 1.00 22.31 H new ATOM 0 HA GLU A 17 0.469 10.719 -5.536 1.00 14.23 H new ATOM 0 HB2 GLU A 17 -0.963 13.138 -6.692 1.00 14.04 H new ATOM 0 HB3 GLU A 17 0.777 13.008 -6.532 1.00 14.04 H new ATOM 0 HG2 GLU A 17 0.737 10.969 -7.979 1.00 71.55 H new ATOM 0 HG3 GLU A 17 -0.995 11.158 -8.171 1.00 71.55 H new ATOM 282 N ASN A 18 -1.211 12.851 -3.682 1.00 13.10 N ATOM 283 CA ASN A 18 -1.147 13.508 -2.379 1.00 40.34 C ATOM 284 C ASN A 18 -1.199 12.476 -1.263 1.00 42.34 C ATOM 285 O ASN A 18 -0.577 12.650 -0.213 1.00 72.34 O ATOM 286 CB ASN A 18 -2.267 14.535 -2.204 1.00 24.42 C ATOM 287 CG ASN A 18 -2.013 15.810 -2.983 1.00 41.20 C ATOM 288 OD1 ASN A 18 -1.337 16.717 -2.501 1.00 4.40 O ATOM 289 ND2 ASN A 18 -2.575 15.903 -4.176 1.00 1.12 N ATOM 0 H ASN A 18 -2.107 12.932 -4.163 1.00 13.10 H new ATOM 0 HA ASN A 18 -0.199 14.043 -2.328 1.00 40.34 H new ATOM 0 HB2 ASN A 18 -3.211 14.097 -2.528 1.00 24.42 H new ATOM 0 HB3 ASN A 18 -2.374 14.775 -1.146 1.00 24.42 H new ATOM 0 HD21 ASN A 18 -2.455 16.750 -4.732 1.00 1.12 H new ATOM 0 HD22 ASN A 18 -3.129 15.128 -4.541 1.00 1.12 H new ATOM 296 N ALA A 19 -1.940 11.398 -1.496 1.00 11.53 N ATOM 297 CA ALA A 19 -1.984 10.289 -0.551 1.00 62.40 C ATOM 298 C ALA A 19 -0.590 9.701 -0.351 1.00 34.01 C ATOM 299 O ALA A 19 -0.103 9.595 0.773 1.00 10.43 O ATOM 300 CB ALA A 19 -2.946 9.217 -1.040 1.00 21.22 C ATOM 0 H ALA A 19 -2.516 11.269 -2.328 1.00 11.53 H new ATOM 0 HA ALA A 19 -2.340 10.665 0.408 1.00 62.40 H new ATOM 0 HB1 ALA A 19 -2.969 8.395 -0.325 1.00 21.22 H new ATOM 0 HB2 ALA A 19 -3.945 9.642 -1.137 1.00 21.22 H new ATOM 0 HB3 ALA A 19 -2.614 8.845 -2.009 1.00 21.22 H new ATOM 306 N LEU A 20 0.054 9.342 -1.457 1.00 1.42 N ATOM 307 CA LEU A 20 1.401 8.778 -1.430 1.00 11.02 C ATOM 308 C LEU A 20 2.387 9.742 -0.781 1.00 43.31 C ATOM 309 O LEU A 20 3.297 9.325 -0.064 1.00 50.03 O ATOM 310 CB LEU A 20 1.862 8.455 -2.851 1.00 62.13 C ATOM 311 CG LEU A 20 1.095 7.333 -3.553 1.00 51.31 C ATOM 312 CD1 LEU A 20 1.608 7.154 -4.972 1.00 41.15 C ATOM 313 CD2 LEU A 20 1.216 6.036 -2.773 1.00 61.40 C ATOM 0 H LEU A 20 -0.340 9.433 -2.393 1.00 1.42 H new ATOM 0 HA LEU A 20 1.371 7.863 -0.838 1.00 11.02 H new ATOM 0 HB2 LEU A 20 1.782 9.359 -3.455 1.00 62.13 H new ATOM 0 HB3 LEU A 20 2.918 8.185 -2.819 1.00 62.13 H new ATOM 0 HG LEU A 20 0.041 7.607 -3.597 1.00 51.31 H new ATOM 0 HD11 LEU A 20 1.054 6.353 -5.461 1.00 41.15 H new ATOM 0 HD12 LEU A 20 1.471 8.081 -5.528 1.00 41.15 H new ATOM 0 HD13 LEU A 20 2.668 6.899 -4.946 1.00 41.15 H new ATOM 0 HD21 LEU A 20 0.664 5.249 -3.287 1.00 61.40 H new ATOM 0 HD22 LEU A 20 2.266 5.753 -2.698 1.00 61.40 H new ATOM 0 HD23 LEU A 20 0.805 6.173 -1.773 1.00 61.40 H new ATOM 325 N GLN A 21 2.197 11.027 -1.041 1.00 21.34 N ATOM 326 CA GLN A 21 3.058 12.061 -0.499 1.00 31.52 C ATOM 327 C GLN A 21 2.999 12.070 1.026 1.00 32.13 C ATOM 328 O GLN A 21 4.028 12.082 1.705 1.00 43.21 O ATOM 329 CB GLN A 21 2.622 13.416 -1.047 1.00 71.13 C ATOM 330 CG GLN A 21 3.771 14.260 -1.557 1.00 42.40 C ATOM 331 CD GLN A 21 4.461 13.650 -2.766 1.00 73.21 C ATOM 332 OE1 GLN A 21 5.663 13.826 -2.955 1.00 72.43 O ATOM 333 NE2 GLN A 21 3.708 12.949 -3.606 1.00 4.11 N ATOM 0 H GLN A 21 1.444 11.379 -1.632 1.00 21.34 H new ATOM 0 HA GLN A 21 4.086 11.858 -0.797 1.00 31.52 H new ATOM 0 HB2 GLN A 21 1.910 13.259 -1.857 1.00 71.13 H new ATOM 0 HB3 GLN A 21 2.099 13.964 -0.264 1.00 71.13 H new ATOM 0 HG2 GLN A 21 3.399 15.251 -1.818 1.00 42.40 H new ATOM 0 HG3 GLN A 21 4.500 14.394 -0.758 1.00 42.40 H new ATOM 0 HE21 GLN A 21 2.714 12.824 -3.416 1.00 4.11 H new ATOM 0 HE22 GLN A 21 4.124 12.536 -4.441 1.00 4.11 H new ATOM 342 N ALA A 22 1.783 12.040 1.556 1.00 23.44 N ATOM 343 CA ALA A 22 1.575 12.064 2.996 1.00 72.20 C ATOM 344 C ALA A 22 2.008 10.748 3.633 1.00 62.42 C ATOM 345 O ALA A 22 2.361 10.700 4.812 1.00 54.40 O ATOM 346 CB ALA A 22 0.118 12.361 3.310 1.00 72.11 C ATOM 0 H ALA A 22 0.924 11.999 1.007 1.00 23.44 H new ATOM 0 HA ALA A 22 2.191 12.857 3.419 1.00 72.20 H new ATOM 0 HB1 ALA A 22 -0.026 12.376 4.390 1.00 72.11 H new ATOM 0 HB2 ALA A 22 -0.153 13.331 2.894 1.00 72.11 H new ATOM 0 HB3 ALA A 22 -0.514 11.589 2.871 1.00 72.11 H new ATOM 352 N LEU A 23 1.973 9.679 2.848 1.00 75.34 N ATOM 353 CA LEU A 23 2.429 8.375 3.310 1.00 0.40 C ATOM 354 C LEU A 23 3.932 8.393 3.556 1.00 73.21 C ATOM 355 O LEU A 23 4.399 7.923 4.592 1.00 44.01 O ATOM 356 CB LEU A 23 2.062 7.291 2.295 1.00 41.22 C ATOM 357 CG LEU A 23 0.572 6.962 2.228 1.00 45.14 C ATOM 358 CD1 LEU A 23 0.253 6.144 0.988 1.00 51.33 C ATOM 359 CD2 LEU A 23 0.146 6.212 3.480 1.00 20.53 C ATOM 0 H LEU A 23 1.633 9.690 1.886 1.00 75.34 H new ATOM 0 HA LEU A 23 1.930 8.147 4.252 1.00 0.40 H new ATOM 0 HB2 LEU A 23 2.395 7.609 1.307 1.00 41.22 H new ATOM 0 HB3 LEU A 23 2.611 6.382 2.540 1.00 41.22 H new ATOM 0 HG LEU A 23 0.016 7.898 2.169 1.00 45.14 H new ATOM 0 HD11 LEU A 23 -0.814 5.922 0.963 1.00 51.33 H new ATOM 0 HD12 LEU A 23 0.527 6.711 0.098 1.00 51.33 H new ATOM 0 HD13 LEU A 23 0.817 5.211 1.012 1.00 51.33 H new ATOM 0 HD21 LEU A 23 -0.918 5.982 3.422 1.00 20.53 H new ATOM 0 HD22 LEU A 23 0.714 5.285 3.560 1.00 20.53 H new ATOM 0 HD23 LEU A 23 0.336 6.830 4.357 1.00 20.53 H new ATOM 371 N GLU A 24 4.676 8.956 2.605 1.00 12.53 N ATOM 372 CA GLU A 24 6.122 9.118 2.745 1.00 70.13 C ATOM 373 C GLU A 24 6.447 9.896 4.015 1.00 74.43 C ATOM 374 O GLU A 24 7.349 9.535 4.772 1.00 33.44 O ATOM 375 CB GLU A 24 6.686 9.864 1.535 1.00 20.24 C ATOM 376 CG GLU A 24 6.630 9.078 0.235 1.00 54.42 C ATOM 377 CD GLU A 24 7.743 8.057 0.124 1.00 70.24 C ATOM 378 OE1 GLU A 24 7.568 6.917 0.596 1.00 23.24 O ATOM 379 OE2 GLU A 24 8.803 8.390 -0.445 1.00 22.22 O ATOM 0 H GLU A 24 4.299 9.309 1.725 1.00 12.53 H new ATOM 0 HA GLU A 24 6.576 8.129 2.805 1.00 70.13 H new ATOM 0 HB2 GLU A 24 6.134 10.795 1.407 1.00 20.24 H new ATOM 0 HB3 GLU A 24 7.722 10.133 1.739 1.00 20.24 H new ATOM 0 HG2 GLU A 24 5.668 8.571 0.162 1.00 54.42 H new ATOM 0 HG3 GLU A 24 6.690 9.769 -0.606 1.00 54.42 H new ATOM 386 N GLU A 25 5.688 10.961 4.236 1.00 21.13 N ATOM 387 CA GLU A 25 5.842 11.796 5.407 1.00 14.40 C ATOM 388 C GLU A 25 5.655 10.973 6.680 1.00 42.21 C ATOM 389 O GLU A 25 6.482 11.020 7.593 1.00 54.41 O ATOM 390 CB GLU A 25 4.808 12.919 5.349 1.00 1.42 C ATOM 391 CG GLU A 25 5.093 14.063 6.294 1.00 11.44 C ATOM 392 CD GLU A 25 6.344 14.827 5.915 1.00 52.21 C ATOM 393 OE1 GLU A 25 6.271 15.687 5.012 1.00 45.33 O ATOM 394 OE2 GLU A 25 7.408 14.568 6.514 1.00 53.31 O ATOM 0 H GLU A 25 4.948 11.266 3.603 1.00 21.13 H new ATOM 0 HA GLU A 25 6.847 12.219 5.423 1.00 14.40 H new ATOM 0 HB2 GLU A 25 4.762 13.305 4.331 1.00 1.42 H new ATOM 0 HB3 GLU A 25 3.825 12.507 5.579 1.00 1.42 H new ATOM 0 HG2 GLU A 25 4.243 14.745 6.302 1.00 11.44 H new ATOM 0 HG3 GLU A 25 5.200 13.676 7.307 1.00 11.44 H new ATOM 401 N PHE A 26 4.579 10.194 6.714 1.00 73.14 N ATOM 402 CA PHE A 26 4.228 9.408 7.891 1.00 24.34 C ATOM 403 C PHE A 26 5.332 8.413 8.240 1.00 3.11 C ATOM 404 O PHE A 26 5.655 8.223 9.413 1.00 55.23 O ATOM 405 CB PHE A 26 2.910 8.666 7.658 1.00 23.43 C ATOM 406 CG PHE A 26 2.323 8.077 8.912 1.00 11.24 C ATOM 407 CD1 PHE A 26 1.504 8.839 9.728 1.00 74.53 C ATOM 408 CD2 PHE A 26 2.593 6.767 9.275 1.00 70.33 C ATOM 409 CE1 PHE A 26 0.966 8.307 10.884 1.00 23.14 C ATOM 410 CE2 PHE A 26 2.058 6.233 10.430 1.00 21.40 C ATOM 411 CZ PHE A 26 1.242 7.001 11.234 1.00 64.30 C ATOM 0 H PHE A 26 3.931 10.090 5.933 1.00 73.14 H new ATOM 0 HA PHE A 26 4.110 10.094 8.730 1.00 24.34 H new ATOM 0 HB2 PHE A 26 2.188 9.353 7.217 1.00 23.43 H new ATOM 0 HB3 PHE A 26 3.074 7.868 6.934 1.00 23.43 H new ATOM 0 HD1 PHE A 26 1.283 9.861 9.458 1.00 74.53 H new ATOM 0 HD2 PHE A 26 3.228 6.158 8.648 1.00 70.33 H new ATOM 0 HE1 PHE A 26 0.330 8.912 11.513 1.00 23.14 H new ATOM 0 HE2 PHE A 26 2.279 5.212 10.705 1.00 21.40 H new ATOM 0 HZ PHE A 26 0.820 6.581 12.135 1.00 64.30 H new ATOM 421 N LEU A 27 5.918 7.801 7.213 1.00 72.02 N ATOM 422 CA LEU A 27 6.972 6.803 7.401 1.00 62.24 C ATOM 423 C LEU A 27 8.139 7.382 8.195 1.00 71.22 C ATOM 424 O LEU A 27 8.742 6.702 9.029 1.00 71.24 O ATOM 425 CB LEU A 27 7.498 6.306 6.049 1.00 61.51 C ATOM 426 CG LEU A 27 6.450 5.759 5.079 1.00 23.34 C ATOM 427 CD1 LEU A 27 7.120 5.259 3.810 1.00 51.12 C ATOM 428 CD2 LEU A 27 5.641 4.646 5.729 1.00 43.20 C ATOM 0 H LEU A 27 5.680 7.979 6.237 1.00 72.02 H new ATOM 0 HA LEU A 27 6.535 5.971 7.953 1.00 62.24 H new ATOM 0 HB2 LEU A 27 8.021 7.129 5.561 1.00 61.51 H new ATOM 0 HB3 LEU A 27 8.235 5.525 6.234 1.00 61.51 H new ATOM 0 HG LEU A 27 5.766 6.567 4.819 1.00 23.34 H new ATOM 0 HD11 LEU A 27 6.363 4.872 3.127 1.00 51.12 H new ATOM 0 HD12 LEU A 27 7.654 6.081 3.332 1.00 51.12 H new ATOM 0 HD13 LEU A 27 7.824 4.465 4.059 1.00 51.12 H new ATOM 0 HD21 LEU A 27 4.902 4.272 5.021 1.00 43.20 H new ATOM 0 HD22 LEU A 27 6.307 3.834 6.020 1.00 43.20 H new ATOM 0 HD23 LEU A 27 5.133 5.033 6.612 1.00 43.20 H new ATOM 440 N GLN A 28 8.434 8.646 7.942 1.00 13.22 N ATOM 441 CA GLN A 28 9.601 9.288 8.519 1.00 41.34 C ATOM 442 C GLN A 28 9.349 9.731 9.954 1.00 25.15 C ATOM 443 O GLN A 28 10.263 9.723 10.782 1.00 31.12 O ATOM 444 CB GLN A 28 10.010 10.481 7.663 1.00 30.42 C ATOM 445 CG GLN A 28 10.379 10.096 6.240 1.00 22.52 C ATOM 446 CD GLN A 28 10.652 11.299 5.359 1.00 2.34 C ATOM 447 OE1 GLN A 28 11.092 12.345 5.835 1.00 24.34 O ATOM 448 NE2 GLN A 28 10.394 11.163 4.070 1.00 15.12 N ATOM 0 H GLN A 28 7.877 9.250 7.337 1.00 13.22 H new ATOM 0 HA GLN A 28 10.411 8.559 8.538 1.00 41.34 H new ATOM 0 HB2 GLN A 28 9.191 11.200 7.638 1.00 30.42 H new ATOM 0 HB3 GLN A 28 10.859 10.981 8.129 1.00 30.42 H new ATOM 0 HG2 GLN A 28 11.262 9.457 6.259 1.00 22.52 H new ATOM 0 HG3 GLN A 28 9.570 9.509 5.806 1.00 22.52 H new ATOM 0 HE21 GLN A 28 10.030 10.280 3.713 1.00 15.12 H new ATOM 0 HE22 GLN A 28 10.559 11.941 3.432 1.00 15.12 H new ATOM 457 N THR A 29 8.113 10.104 10.253 1.00 13.51 N ATOM 458 CA THR A 29 7.783 10.606 11.577 1.00 34.41 C ATOM 459 C THR A 29 7.338 9.481 12.516 1.00 2.23 C ATOM 460 O THR A 29 7.862 9.356 13.622 1.00 24.35 O ATOM 461 CB THR A 29 6.708 11.728 11.516 1.00 23.41 C ATOM 462 OG1 THR A 29 6.393 12.199 12.835 1.00 32.30 O ATOM 463 CG2 THR A 29 5.435 11.260 10.827 1.00 52.51 C ATOM 0 H THR A 29 7.329 10.069 9.602 1.00 13.51 H new ATOM 0 HA THR A 29 8.696 11.040 11.984 1.00 34.41 H new ATOM 0 HB THR A 29 7.132 12.543 10.929 1.00 23.41 H new ATOM 0 HG1 THR A 29 5.978 11.476 13.350 1.00 32.30 H new ATOM 0 HG21 THR A 29 4.712 12.075 10.807 1.00 52.51 H new ATOM 0 HG22 THR A 29 5.665 10.953 9.807 1.00 52.51 H new ATOM 0 HG23 THR A 29 5.015 10.416 11.373 1.00 52.51 H new ATOM 471 N GLU A 30 6.415 8.634 12.069 1.00 30.23 N ATOM 472 CA GLU A 30 5.833 7.624 12.940 1.00 11.41 C ATOM 473 C GLU A 30 6.048 6.222 12.381 1.00 12.01 C ATOM 474 O GLU A 30 5.297 5.758 11.524 1.00 15.12 O ATOM 475 CB GLU A 30 4.336 7.874 13.135 1.00 75.13 C ATOM 476 CG GLU A 30 4.004 9.270 13.637 1.00 73.44 C ATOM 477 CD GLU A 30 4.743 9.631 14.908 1.00 24.34 C ATOM 478 OE1 GLU A 30 4.523 8.963 15.942 1.00 2.12 O ATOM 479 OE2 GLU A 30 5.547 10.584 14.880 1.00 13.10 O ATOM 0 H GLU A 30 6.057 8.628 11.114 1.00 30.23 H new ATOM 0 HA GLU A 30 6.336 7.696 13.904 1.00 11.41 H new ATOM 0 HB2 GLU A 30 3.824 7.708 12.187 1.00 75.13 H new ATOM 0 HB3 GLU A 30 3.945 7.142 13.841 1.00 75.13 H new ATOM 0 HG2 GLU A 30 4.248 9.997 12.862 1.00 73.44 H new ATOM 0 HG3 GLU A 30 2.931 9.341 13.814 1.00 73.44 H new ATOM 486 N PRO A 31 7.090 5.535 12.859 1.00 34.52 N ATOM 487 CA PRO A 31 7.393 4.157 12.458 1.00 62.13 C ATOM 488 C PRO A 31 6.326 3.167 12.912 1.00 31.43 C ATOM 489 O PRO A 31 6.198 2.078 12.352 1.00 51.31 O ATOM 490 CB PRO A 31 8.722 3.866 13.165 1.00 13.42 C ATOM 491 CG PRO A 31 8.761 4.819 14.308 1.00 43.44 C ATOM 492 CD PRO A 31 8.074 6.059 13.817 1.00 33.15 C ATOM 0 HA PRO A 31 7.435 4.052 11.374 1.00 62.13 H new ATOM 0 HB2 PRO A 31 8.769 2.833 13.509 1.00 13.42 H new ATOM 0 HB3 PRO A 31 9.568 4.017 12.495 1.00 13.42 H new ATOM 0 HG2 PRO A 31 8.253 4.407 15.180 1.00 43.44 H new ATOM 0 HG3 PRO A 31 9.787 5.031 14.608 1.00 43.44 H new ATOM 0 HD2 PRO A 31 7.595 6.604 14.630 1.00 33.15 H new ATOM 0 HD3 PRO A 31 8.774 6.747 13.342 1.00 33.15 H new ATOM 500 N VAL A 32 5.550 3.572 13.906 1.00 20.41 N ATOM 501 CA VAL A 32 4.565 2.697 14.531 1.00 11.30 C ATOM 502 C VAL A 32 3.443 2.313 13.561 1.00 40.03 C ATOM 503 O VAL A 32 2.970 1.179 13.573 1.00 22.43 O ATOM 504 CB VAL A 32 3.966 3.354 15.803 1.00 24.11 C ATOM 505 CG1 VAL A 32 3.283 4.677 15.473 1.00 34.13 C ATOM 506 CG2 VAL A 32 3.001 2.408 16.503 1.00 11.11 C ATOM 0 H VAL A 32 5.583 4.511 14.302 1.00 20.41 H new ATOM 0 HA VAL A 32 5.088 1.784 14.817 1.00 11.30 H new ATOM 0 HB VAL A 32 4.790 3.564 16.485 1.00 24.11 H new ATOM 0 HG11 VAL A 32 2.874 5.112 16.385 1.00 34.13 H new ATOM 0 HG12 VAL A 32 4.010 5.363 15.038 1.00 34.13 H new ATOM 0 HG13 VAL A 32 2.477 4.502 14.760 1.00 34.13 H new ATOM 0 HG21 VAL A 32 2.596 2.893 17.391 1.00 11.11 H new ATOM 0 HG22 VAL A 32 2.186 2.152 15.825 1.00 11.11 H new ATOM 0 HG23 VAL A 32 3.529 1.500 16.795 1.00 11.11 H new ATOM 516 N GLY A 33 3.049 3.241 12.697 1.00 51.43 N ATOM 517 CA GLY A 33 1.905 3.001 11.839 1.00 72.24 C ATOM 518 C GLY A 33 2.282 2.873 10.381 1.00 41.23 C ATOM 519 O GLY A 33 1.463 3.127 9.497 1.00 31.13 O ATOM 0 H GLY A 33 3.498 4.149 12.576 1.00 51.43 H new ATOM 0 HA2 GLY A 33 1.401 2.090 12.160 1.00 72.24 H new ATOM 0 HA3 GLY A 33 1.192 3.818 11.955 1.00 72.24 H new ATOM 523 N LYS A 34 3.522 2.481 10.119 1.00 11.44 N ATOM 524 CA LYS A 34 3.984 2.343 8.746 1.00 0.43 C ATOM 525 C LYS A 34 3.300 1.167 8.056 1.00 71.42 C ATOM 526 O LYS A 34 3.193 1.142 6.834 1.00 75.01 O ATOM 527 CB LYS A 34 5.502 2.172 8.684 1.00 44.04 C ATOM 528 CG LYS A 34 6.283 3.390 9.152 1.00 22.01 C ATOM 529 CD LYS A 34 7.776 3.221 8.909 1.00 41.33 C ATOM 530 CE LYS A 34 8.331 2.006 9.633 1.00 44.03 C ATOM 531 NZ LYS A 34 9.789 1.841 9.409 1.00 51.44 N ATOM 0 H LYS A 34 4.218 2.256 10.830 1.00 11.44 H new ATOM 0 HA LYS A 34 3.720 3.261 8.221 1.00 0.43 H new ATOM 0 HB2 LYS A 34 5.786 1.315 9.295 1.00 44.04 H new ATOM 0 HB3 LYS A 34 5.789 1.941 7.658 1.00 44.04 H new ATOM 0 HG2 LYS A 34 5.926 4.276 8.628 1.00 22.01 H new ATOM 0 HG3 LYS A 34 6.102 3.554 10.214 1.00 22.01 H new ATOM 0 HD2 LYS A 34 7.961 3.123 7.839 1.00 41.33 H new ATOM 0 HD3 LYS A 34 8.302 4.115 9.243 1.00 41.33 H new ATOM 0 HE2 LYS A 34 8.137 2.101 10.701 1.00 44.03 H new ATOM 0 HE3 LYS A 34 7.809 1.112 9.293 1.00 44.03 H new ATOM 0 HZ1 LYS A 34 10.126 1.001 9.921 1.00 51.44 H new ATOM 0 HZ2 LYS A 34 9.973 1.724 8.392 1.00 51.44 H new ATOM 0 HZ3 LYS A 34 10.291 2.683 9.757 1.00 51.44 H new ATOM 545 N ASP A 35 2.819 0.208 8.840 1.00 30.12 N ATOM 546 CA ASP A 35 2.141 -0.964 8.290 1.00 53.21 C ATOM 547 C ASP A 35 0.840 -0.544 7.611 1.00 5.10 C ATOM 548 O ASP A 35 0.515 -1.013 6.520 1.00 33.34 O ATOM 549 CB ASP A 35 1.873 -2.004 9.388 1.00 45.32 C ATOM 550 CG ASP A 35 0.894 -1.519 10.441 1.00 31.12 C ATOM 551 OD1 ASP A 35 1.164 -0.476 11.073 1.00 53.34 O ATOM 552 OD2 ASP A 35 -0.154 -2.171 10.631 1.00 51.42 O ATOM 0 H ASP A 35 2.885 0.218 9.858 1.00 30.12 H new ATOM 0 HA ASP A 35 2.790 -1.425 7.545 1.00 53.21 H new ATOM 0 HB2 ASP A 35 1.485 -2.914 8.931 1.00 45.32 H new ATOM 0 HB3 ASP A 35 2.815 -2.266 9.870 1.00 45.32 H new ATOM 557 N GLU A 36 0.117 0.367 8.252 1.00 53.14 N ATOM 558 CA GLU A 36 -1.091 0.937 7.671 1.00 43.34 C ATOM 559 C GLU A 36 -0.726 1.791 6.460 1.00 74.34 C ATOM 560 O GLU A 36 -1.411 1.768 5.438 1.00 65.41 O ATOM 561 CB GLU A 36 -1.824 1.782 8.719 1.00 51.33 C ATOM 562 CG GLU A 36 -3.100 2.449 8.217 1.00 23.42 C ATOM 563 CD GLU A 36 -4.204 1.465 7.877 1.00 21.35 C ATOM 564 OE1 GLU A 36 -4.310 0.420 8.550 1.00 73.12 O ATOM 565 OE2 GLU A 36 -5.001 1.755 6.958 1.00 25.42 O ATOM 0 H GLU A 36 0.348 0.727 9.178 1.00 53.14 H new ATOM 0 HA GLU A 36 -1.751 0.132 7.348 1.00 43.34 H new ATOM 0 HB2 GLU A 36 -2.072 1.147 9.570 1.00 51.33 H new ATOM 0 HB3 GLU A 36 -1.146 2.553 9.084 1.00 51.33 H new ATOM 0 HG2 GLU A 36 -3.462 3.141 8.977 1.00 23.42 H new ATOM 0 HG3 GLU A 36 -2.867 3.041 7.332 1.00 23.42 H new ATOM 572 N ALA A 37 0.379 2.518 6.578 1.00 12.45 N ATOM 573 CA ALA A 37 0.843 3.397 5.515 1.00 53.44 C ATOM 574 C ALA A 37 1.217 2.609 4.259 1.00 0.13 C ATOM 575 O ALA A 37 0.820 2.973 3.153 1.00 21.21 O ATOM 576 CB ALA A 37 2.022 4.225 5.998 1.00 61.02 C ATOM 0 H ALA A 37 0.973 2.514 7.407 1.00 12.45 H new ATOM 0 HA ALA A 37 0.025 4.067 5.250 1.00 53.44 H new ATOM 0 HB1 ALA A 37 2.361 4.879 5.194 1.00 61.02 H new ATOM 0 HB2 ALA A 37 1.717 4.829 6.853 1.00 61.02 H new ATOM 0 HB3 ALA A 37 2.835 3.562 6.294 1.00 61.02 H new ATOM 582 N TYR A 38 1.971 1.527 4.432 1.00 61.11 N ATOM 583 CA TYR A 38 2.369 0.690 3.303 1.00 43.43 C ATOM 584 C TYR A 38 1.158 0.027 2.659 1.00 42.52 C ATOM 585 O TYR A 38 1.108 -0.144 1.438 1.00 2.45 O ATOM 586 CB TYR A 38 3.375 -0.374 3.736 1.00 22.34 C ATOM 587 CG TYR A 38 4.764 0.163 4.003 1.00 10.34 C ATOM 588 CD1 TYR A 38 5.458 0.863 3.024 1.00 13.53 C ATOM 589 CD2 TYR A 38 5.384 -0.040 5.227 1.00 64.33 C ATOM 590 CE1 TYR A 38 6.732 1.345 3.260 1.00 5.32 C ATOM 591 CE2 TYR A 38 6.657 0.435 5.470 1.00 42.11 C ATOM 592 CZ TYR A 38 7.326 1.128 4.485 1.00 60.45 C ATOM 593 OH TYR A 38 8.600 1.592 4.727 1.00 50.30 O ATOM 0 H TYR A 38 2.317 1.210 5.338 1.00 61.11 H new ATOM 0 HA TYR A 38 2.843 1.339 2.567 1.00 43.43 H new ATOM 0 HB2 TYR A 38 3.006 -0.862 4.638 1.00 22.34 H new ATOM 0 HB3 TYR A 38 3.435 -1.139 2.962 1.00 22.34 H new ATOM 0 HD1 TYR A 38 4.995 1.033 2.063 1.00 13.53 H new ATOM 0 HD2 TYR A 38 4.862 -0.579 6.003 1.00 64.33 H new ATOM 0 HE1 TYR A 38 7.259 1.888 2.489 1.00 5.32 H new ATOM 0 HE2 TYR A 38 7.126 0.264 6.428 1.00 42.11 H new ATOM 0 HH TYR A 38 8.867 1.355 5.640 1.00 50.30 H new ATOM 603 N TYR A 39 0.181 -0.344 3.479 1.00 1.22 N ATOM 604 CA TYR A 39 -1.060 -0.906 2.967 1.00 73.13 C ATOM 605 C TYR A 39 -1.782 0.131 2.115 1.00 14.03 C ATOM 606 O TYR A 39 -2.243 -0.166 1.008 1.00 34.03 O ATOM 607 CB TYR A 39 -1.962 -1.373 4.116 1.00 12.32 C ATOM 608 CG TYR A 39 -3.292 -1.935 3.653 1.00 75.23 C ATOM 609 CD1 TYR A 39 -3.403 -3.255 3.237 1.00 31.44 C ATOM 610 CD2 TYR A 39 -4.433 -1.141 3.624 1.00 24.23 C ATOM 611 CE1 TYR A 39 -4.610 -3.768 2.802 1.00 73.35 C ATOM 612 CE2 TYR A 39 -5.645 -1.647 3.192 1.00 40.32 C ATOM 613 CZ TYR A 39 -5.726 -2.960 2.782 1.00 4.43 C ATOM 614 OH TYR A 39 -6.932 -3.464 2.347 1.00 4.30 O ATOM 0 H TYR A 39 0.225 -0.266 4.495 1.00 1.22 H new ATOM 0 HA TYR A 39 -0.822 -1.773 2.351 1.00 73.13 H new ATOM 0 HB2 TYR A 39 -1.437 -2.134 4.693 1.00 12.32 H new ATOM 0 HB3 TYR A 39 -2.145 -0.534 4.787 1.00 12.32 H new ATOM 0 HD1 TYR A 39 -2.531 -3.892 3.254 1.00 31.44 H new ATOM 0 HD2 TYR A 39 -4.372 -0.111 3.944 1.00 24.23 H new ATOM 0 HE1 TYR A 39 -4.678 -4.796 2.479 1.00 73.35 H new ATOM 0 HE2 TYR A 39 -6.522 -1.017 3.176 1.00 40.32 H new ATOM 0 HH TYR A 39 -7.616 -2.764 2.397 1.00 4.30 H new ATOM 624 N LEU A 40 -1.867 1.354 2.635 1.00 32.43 N ATOM 625 CA LEU A 40 -2.471 2.461 1.904 1.00 3.14 C ATOM 626 C LEU A 40 -1.710 2.726 0.611 1.00 63.11 C ATOM 627 O LEU A 40 -2.316 2.986 -0.429 1.00 25.41 O ATOM 628 CB LEU A 40 -2.506 3.729 2.765 1.00 21.30 C ATOM 629 CG LEU A 40 -3.378 3.642 4.020 1.00 52.31 C ATOM 630 CD1 LEU A 40 -3.324 4.947 4.801 1.00 74.22 C ATOM 631 CD2 LEU A 40 -4.813 3.296 3.648 1.00 64.41 C ATOM 0 H LEU A 40 -1.523 1.602 3.563 1.00 32.43 H new ATOM 0 HA LEU A 40 -3.496 2.183 1.657 1.00 3.14 H new ATOM 0 HB2 LEU A 40 -1.487 3.972 3.066 1.00 21.30 H new ATOM 0 HB3 LEU A 40 -2.863 4.556 2.151 1.00 21.30 H new ATOM 0 HG LEU A 40 -2.988 2.848 4.657 1.00 52.31 H new ATOM 0 HD11 LEU A 40 -3.950 4.865 5.689 1.00 74.22 H new ATOM 0 HD12 LEU A 40 -2.295 5.150 5.099 1.00 74.22 H new ATOM 0 HD13 LEU A 40 -3.688 5.761 4.174 1.00 74.22 H new ATOM 0 HD21 LEU A 40 -5.419 3.238 4.552 1.00 64.41 H new ATOM 0 HD22 LEU A 40 -5.214 4.067 2.991 1.00 64.41 H new ATOM 0 HD23 LEU A 40 -4.834 2.335 3.135 1.00 64.41 H new ATOM 643 N MET A 41 -0.385 2.648 0.682 1.00 0.25 N ATOM 644 CA MET A 41 0.458 2.794 -0.499 1.00 72.44 C ATOM 645 C MET A 41 0.078 1.783 -1.566 1.00 42.42 C ATOM 646 O MET A 41 -0.242 2.151 -2.694 1.00 25.13 O ATOM 647 CB MET A 41 1.930 2.600 -0.135 1.00 25.11 C ATOM 648 CG MET A 41 2.610 3.843 0.391 1.00 35.43 C ATOM 649 SD MET A 41 4.337 3.552 0.803 1.00 65.31 S ATOM 650 CE MET A 41 4.896 5.228 1.075 1.00 2.42 C ATOM 0 H MET A 41 0.129 2.484 1.548 1.00 0.25 H new ATOM 0 HA MET A 41 0.306 3.801 -0.888 1.00 72.44 H new ATOM 0 HB2 MET A 41 2.006 1.813 0.616 1.00 25.11 H new ATOM 0 HB3 MET A 41 2.467 2.252 -1.017 1.00 25.11 H new ATOM 0 HG2 MET A 41 2.545 4.634 -0.356 1.00 35.43 H new ATOM 0 HG3 MET A 41 2.082 4.197 1.276 1.00 35.43 H new ATOM 0 HE1 MET A 41 5.980 5.271 0.970 1.00 2.42 H new ATOM 0 HE2 MET A 41 4.434 5.889 0.342 1.00 2.42 H new ATOM 0 HE3 MET A 41 4.615 5.547 2.079 1.00 2.42 H new ATOM 660 N GLY A 42 0.080 0.509 -1.191 1.00 22.25 N ATOM 661 CA GLY A 42 -0.249 -0.541 -2.134 1.00 21.30 C ATOM 662 C GLY A 42 -1.641 -0.375 -2.701 1.00 24.31 C ATOM 663 O GLY A 42 -1.875 -0.626 -3.881 1.00 61.33 O ATOM 0 H GLY A 42 0.304 0.185 -0.250 1.00 22.25 H new ATOM 0 HA2 GLY A 42 0.477 -0.539 -2.947 1.00 21.30 H new ATOM 0 HA3 GLY A 42 -0.171 -1.510 -1.640 1.00 21.30 H new ATOM 667 N ASN A 43 -2.563 0.064 -1.852 1.00 2.25 N ATOM 668 CA ASN A 43 -3.947 0.280 -2.258 1.00 34.53 C ATOM 669 C ASN A 43 -4.035 1.440 -3.249 1.00 4.33 C ATOM 670 O ASN A 43 -4.818 1.418 -4.199 1.00 74.32 O ATOM 671 CB ASN A 43 -4.810 0.565 -1.028 1.00 21.25 C ATOM 672 CG ASN A 43 -6.291 0.475 -1.321 1.00 40.41 C ATOM 673 OD1 ASN A 43 -6.721 -0.294 -2.179 1.00 44.52 O ATOM 674 ND2 ASN A 43 -7.079 1.255 -0.605 1.00 31.21 N ATOM 0 H ASN A 43 -2.376 0.278 -0.873 1.00 2.25 H new ATOM 0 HA ASN A 43 -4.316 -0.621 -2.748 1.00 34.53 H new ATOM 0 HB2 ASN A 43 -4.556 -0.143 -0.239 1.00 21.25 H new ATOM 0 HB3 ASN A 43 -4.578 1.561 -0.649 1.00 21.25 H new ATOM 0 HD21 ASN A 43 -8.088 1.235 -0.753 1.00 31.21 H new ATOM 0 HD22 ASN A 43 -6.679 1.878 0.097 1.00 31.21 H new ATOM 681 N ALA A 44 -3.208 2.447 -3.030 1.00 53.40 N ATOM 682 CA ALA A 44 -3.144 3.586 -3.926 1.00 34.32 C ATOM 683 C ALA A 44 -2.536 3.179 -5.267 1.00 70.44 C ATOM 684 O ALA A 44 -2.993 3.606 -6.326 1.00 25.23 O ATOM 685 CB ALA A 44 -2.341 4.709 -3.286 1.00 52.14 C ATOM 0 H ALA A 44 -2.570 2.498 -2.236 1.00 53.40 H new ATOM 0 HA ALA A 44 -4.156 3.946 -4.110 1.00 34.32 H new ATOM 0 HB1 ALA A 44 -2.299 5.560 -3.966 1.00 52.14 H new ATOM 0 HB2 ALA A 44 -2.819 5.013 -2.355 1.00 52.14 H new ATOM 0 HB3 ALA A 44 -1.330 4.360 -3.078 1.00 52.14 H new ATOM 691 N TYR A 45 -1.517 2.329 -5.214 1.00 34.55 N ATOM 692 CA TYR A 45 -0.836 1.873 -6.420 1.00 22.13 C ATOM 693 C TYR A 45 -1.725 0.959 -7.262 1.00 0.10 C ATOM 694 O TYR A 45 -1.690 1.022 -8.492 1.00 52.30 O ATOM 695 CB TYR A 45 0.468 1.157 -6.073 1.00 10.41 C ATOM 696 CG TYR A 45 1.549 2.072 -5.537 1.00 53.44 C ATOM 697 CD1 TYR A 45 1.977 3.178 -6.263 1.00 63.13 C ATOM 698 CD2 TYR A 45 2.148 1.826 -4.307 1.00 51.53 C ATOM 699 CE1 TYR A 45 2.970 4.010 -5.776 1.00 41.24 C ATOM 700 CE2 TYR A 45 3.140 2.653 -3.816 1.00 60.35 C ATOM 701 CZ TYR A 45 3.548 3.741 -4.553 1.00 3.13 C ATOM 702 OH TYR A 45 4.543 4.560 -4.066 1.00 2.22 O ATOM 0 H TYR A 45 -1.144 1.941 -4.348 1.00 34.55 H new ATOM 0 HA TYR A 45 -0.607 2.759 -7.011 1.00 22.13 H new ATOM 0 HB2 TYR A 45 0.260 0.384 -5.333 1.00 10.41 H new ATOM 0 HB3 TYR A 45 0.842 0.653 -6.964 1.00 10.41 H new ATOM 0 HD1 TYR A 45 1.528 3.391 -7.222 1.00 63.13 H new ATOM 0 HD2 TYR A 45 1.832 0.973 -3.725 1.00 51.53 H new ATOM 0 HE1 TYR A 45 3.291 4.866 -6.351 1.00 41.24 H new ATOM 0 HE2 TYR A 45 3.593 2.446 -2.858 1.00 60.35 H new ATOM 0 HH TYR A 45 4.840 4.230 -3.192 1.00 2.22 H new ATOM 712 N ARG A 46 -2.526 0.118 -6.609 1.00 54.42 N ATOM 713 CA ARG A 46 -3.438 -0.767 -7.335 1.00 72.00 C ATOM 714 C ARG A 46 -4.536 0.046 -8.015 1.00 2.15 C ATOM 715 O ARG A 46 -5.029 -0.335 -9.076 1.00 32.03 O ATOM 716 CB ARG A 46 -4.048 -1.836 -6.416 1.00 31.41 C ATOM 717 CG ARG A 46 -4.876 -1.269 -5.280 1.00 12.50 C ATOM 718 CD ARG A 46 -5.480 -2.353 -4.403 1.00 41.14 C ATOM 719 NE ARG A 46 -6.648 -2.987 -5.016 1.00 21.51 N ATOM 720 CZ ARG A 46 -7.843 -3.061 -4.427 1.00 0.01 C ATOM 721 NH1 ARG A 46 -8.063 -2.410 -3.289 1.00 43.20 N ATOM 722 NH2 ARG A 46 -8.828 -3.750 -4.992 1.00 35.03 N ATOM 0 H ARG A 46 -2.563 0.030 -5.593 1.00 54.42 H new ATOM 0 HA ARG A 46 -2.858 -1.286 -8.098 1.00 72.00 H new ATOM 0 HB2 ARG A 46 -4.674 -2.500 -7.013 1.00 31.41 H new ATOM 0 HB3 ARG A 46 -3.245 -2.444 -5.999 1.00 31.41 H new ATOM 0 HG2 ARG A 46 -4.251 -0.618 -4.669 1.00 12.50 H new ATOM 0 HG3 ARG A 46 -5.675 -0.651 -5.690 1.00 12.50 H new ATOM 0 HD2 ARG A 46 -4.725 -3.112 -4.198 1.00 41.14 H new ATOM 0 HD3 ARG A 46 -5.767 -1.922 -3.444 1.00 41.14 H new ATOM 0 HE ARG A 46 -6.543 -3.395 -5.945 1.00 21.51 H new ATOM 0 HH11 ARG A 46 -7.319 -1.855 -2.867 1.00 43.20 H new ATOM 0 HH12 ARG A 46 -8.976 -2.466 -2.838 1.00 43.20 H new ATOM 0 HH21 ARG A 46 -8.673 -4.226 -5.881 1.00 35.03 H new ATOM 0 HH22 ARG A 46 -9.739 -3.803 -4.537 1.00 35.03 H new ATOM 736 N LYS A 47 -4.911 1.171 -7.405 1.00 12.54 N ATOM 737 CA LYS A 47 -5.853 2.091 -8.032 1.00 30.34 C ATOM 738 C LYS A 47 -5.246 2.720 -9.282 1.00 70.44 C ATOM 739 O LYS A 47 -5.946 2.955 -10.266 1.00 42.24 O ATOM 740 CB LYS A 47 -6.289 3.188 -7.058 1.00 63.45 C ATOM 741 CG LYS A 47 -7.340 2.737 -6.059 1.00 42.43 C ATOM 742 CD LYS A 47 -7.813 3.896 -5.200 1.00 33.45 C ATOM 743 CE LYS A 47 -9.029 3.523 -4.371 1.00 74.21 C ATOM 744 NZ LYS A 47 -10.238 3.333 -5.215 1.00 11.23 N ATOM 0 H LYS A 47 -4.579 1.463 -6.486 1.00 12.54 H new ATOM 0 HA LYS A 47 -6.732 1.514 -8.318 1.00 30.34 H new ATOM 0 HB2 LYS A 47 -5.415 3.547 -6.515 1.00 63.45 H new ATOM 0 HB3 LYS A 47 -6.680 4.032 -7.627 1.00 63.45 H new ATOM 0 HG2 LYS A 47 -8.188 2.304 -6.590 1.00 42.43 H new ATOM 0 HG3 LYS A 47 -6.928 1.953 -5.423 1.00 42.43 H new ATOM 0 HD2 LYS A 47 -7.006 4.212 -4.539 1.00 33.45 H new ATOM 0 HD3 LYS A 47 -8.055 4.746 -5.838 1.00 33.45 H new ATOM 0 HE2 LYS A 47 -8.824 2.606 -3.818 1.00 74.21 H new ATOM 0 HE3 LYS A 47 -9.219 4.303 -3.634 1.00 74.21 H new ATOM 0 HZ1 LYS A 47 -11.084 3.315 -4.611 1.00 11.23 H new ATOM 0 HZ2 LYS A 47 -10.314 4.117 -5.894 1.00 11.23 H new ATOM 0 HZ3 LYS A 47 -10.163 2.433 -5.732 1.00 11.23 H new ATOM 758 N LEU A 48 -3.945 3.001 -9.231 1.00 64.42 N ATOM 759 CA LEU A 48 -3.230 3.532 -10.387 1.00 71.44 C ATOM 760 C LEU A 48 -3.094 2.464 -11.462 1.00 74.43 C ATOM 761 O LEU A 48 -3.361 2.709 -12.638 1.00 51.34 O ATOM 762 CB LEU A 48 -1.839 4.035 -9.985 1.00 73.34 C ATOM 763 CG LEU A 48 -1.823 5.265 -9.080 1.00 74.42 C ATOM 764 CD1 LEU A 48 -0.393 5.628 -8.716 1.00 34.51 C ATOM 765 CD2 LEU A 48 -2.512 6.439 -9.761 1.00 20.43 C ATOM 0 H LEU A 48 -3.366 2.869 -8.402 1.00 64.42 H new ATOM 0 HA LEU A 48 -3.805 4.369 -10.782 1.00 71.44 H new ATOM 0 HB2 LEU A 48 -1.311 3.226 -9.480 1.00 73.34 H new ATOM 0 HB3 LEU A 48 -1.278 4.264 -10.891 1.00 73.34 H new ATOM 0 HG LEU A 48 -2.369 5.031 -8.166 1.00 74.42 H new ATOM 0 HD11 LEU A 48 -0.394 6.506 -8.071 1.00 34.51 H new ATOM 0 HD12 LEU A 48 0.072 4.793 -8.192 1.00 34.51 H new ATOM 0 HD13 LEU A 48 0.170 5.845 -9.624 1.00 34.51 H new ATOM 0 HD21 LEU A 48 -2.491 7.306 -9.101 1.00 20.43 H new ATOM 0 HD22 LEU A 48 -1.993 6.677 -10.689 1.00 20.43 H new ATOM 0 HD23 LEU A 48 -3.547 6.176 -9.981 1.00 20.43 H new ATOM 777 N GLY A 49 -2.685 1.272 -11.048 1.00 14.22 N ATOM 778 CA GLY A 49 -2.531 0.180 -11.984 1.00 21.21 C ATOM 779 C GLY A 49 -1.119 -0.369 -12.015 1.00 10.54 C ATOM 780 O GLY A 49 -0.769 -1.142 -12.908 1.00 15.33 O ATOM 0 H GLY A 49 -2.458 1.044 -10.080 1.00 14.22 H new ATOM 0 HA2 GLY A 49 -3.222 -0.620 -11.719 1.00 21.21 H new ATOM 0 HA3 GLY A 49 -2.806 0.521 -12.982 1.00 21.21 H new ATOM 784 N ASP A 50 -0.305 0.023 -11.044 1.00 32.10 N ATOM 785 CA ASP A 50 1.067 -0.463 -10.969 1.00 11.43 C ATOM 786 C ASP A 50 1.155 -1.604 -9.966 1.00 44.22 C ATOM 787 O ASP A 50 0.873 -1.424 -8.779 1.00 24.52 O ATOM 788 CB ASP A 50 2.036 0.652 -10.568 1.00 31.30 C ATOM 789 CG ASP A 50 3.478 0.277 -10.852 1.00 34.12 C ATOM 790 OD1 ASP A 50 4.006 -0.636 -10.181 1.00 14.02 O ATOM 791 OD2 ASP A 50 4.085 0.877 -11.767 1.00 74.22 O ATOM 0 H ASP A 50 -0.568 0.672 -10.302 1.00 32.10 H new ATOM 0 HA ASP A 50 1.352 -0.818 -11.959 1.00 11.43 H new ATOM 0 HB2 ASP A 50 1.785 1.564 -11.110 1.00 31.30 H new ATOM 0 HB3 ASP A 50 1.920 0.870 -9.506 1.00 31.30 H new ATOM 796 N TRP A 51 1.542 -2.776 -10.443 1.00 71.12 N ATOM 797 CA TRP A 51 1.564 -3.967 -9.607 1.00 5.32 C ATOM 798 C TRP A 51 2.902 -4.124 -8.891 1.00 61.42 C ATOM 799 O TRP A 51 2.950 -4.638 -7.773 1.00 10.24 O ATOM 800 CB TRP A 51 1.247 -5.203 -10.445 1.00 13.24 C ATOM 801 CG TRP A 51 -0.091 -5.126 -11.118 1.00 24.53 C ATOM 802 CD1 TRP A 51 -0.341 -5.218 -12.455 1.00 64.22 C ATOM 803 CD2 TRP A 51 -1.363 -4.929 -10.484 1.00 53.33 C ATOM 804 NE1 TRP A 51 -1.690 -5.104 -12.693 1.00 10.53 N ATOM 805 CE2 TRP A 51 -2.339 -4.926 -11.498 1.00 64.43 C ATOM 806 CE3 TRP A 51 -1.771 -4.761 -9.157 1.00 70.13 C ATOM 807 CZ2 TRP A 51 -3.695 -4.759 -11.224 1.00 52.42 C ATOM 808 CZ3 TRP A 51 -3.116 -4.597 -8.889 1.00 14.45 C ATOM 809 CH2 TRP A 51 -4.064 -4.597 -9.918 1.00 21.12 C ATOM 0 H TRP A 51 1.845 -2.929 -11.405 1.00 71.12 H new ATOM 0 HA TRP A 51 0.797 -3.857 -8.840 1.00 5.32 H new ATOM 0 HB2 TRP A 51 2.021 -5.331 -11.201 1.00 13.24 H new ATOM 0 HB3 TRP A 51 1.276 -6.086 -9.806 1.00 13.24 H new ATOM 0 HD1 TRP A 51 0.412 -5.360 -13.217 1.00 64.22 H new ATOM 0 HE1 TRP A 51 -2.136 -5.145 -13.609 1.00 10.53 H new ATOM 0 HE3 TRP A 51 -1.047 -4.760 -8.356 1.00 70.13 H new ATOM 0 HZ2 TRP A 51 -4.429 -4.758 -12.016 1.00 52.42 H new ATOM 0 HZ3 TRP A 51 -3.442 -4.467 -7.868 1.00 14.45 H new ATOM 0 HH2 TRP A 51 -5.108 -4.466 -9.675 1.00 21.12 H new ATOM 820 N GLN A 52 3.982 -3.682 -9.528 1.00 42.13 N ATOM 821 CA GLN A 52 5.298 -3.696 -8.893 1.00 0.21 C ATOM 822 C GLN A 52 5.269 -2.890 -7.607 1.00 23.23 C ATOM 823 O GLN A 52 5.645 -3.383 -6.543 1.00 33.04 O ATOM 824 CB GLN A 52 6.367 -3.128 -9.831 1.00 1.33 C ATOM 825 CG GLN A 52 6.821 -4.096 -10.908 1.00 5.34 C ATOM 826 CD GLN A 52 7.600 -5.267 -10.345 1.00 64.21 C ATOM 827 OE1 GLN A 52 8.821 -5.205 -10.210 1.00 33.31 O ATOM 828 NE2 GLN A 52 6.907 -6.347 -10.021 1.00 0.22 N ATOM 0 H GLN A 52 3.974 -3.311 -10.478 1.00 42.13 H new ATOM 0 HA GLN A 52 5.550 -4.732 -8.666 1.00 0.21 H new ATOM 0 HB2 GLN A 52 5.977 -2.228 -10.307 1.00 1.33 H new ATOM 0 HB3 GLN A 52 7.232 -2.827 -9.240 1.00 1.33 H new ATOM 0 HG2 GLN A 52 5.950 -4.469 -11.447 1.00 5.34 H new ATOM 0 HG3 GLN A 52 7.441 -3.566 -11.631 1.00 5.34 H new ATOM 0 HE21 GLN A 52 5.895 -6.360 -10.147 1.00 0.22 H new ATOM 0 HE22 GLN A 52 7.385 -7.166 -9.645 1.00 0.22 H new ATOM 837 N LYS A 53 4.799 -1.656 -7.711 1.00 53.45 N ATOM 838 CA LYS A 53 4.684 -0.778 -6.560 1.00 24.15 C ATOM 839 C LYS A 53 3.816 -1.416 -5.478 1.00 62.20 C ATOM 840 O LYS A 53 4.169 -1.399 -4.298 1.00 34.12 O ATOM 841 CB LYS A 53 4.086 0.562 -6.978 1.00 51.22 C ATOM 842 CG LYS A 53 4.993 1.410 -7.857 1.00 63.23 C ATOM 843 CD LYS A 53 6.183 1.952 -7.081 1.00 42.54 C ATOM 844 CE LYS A 53 7.042 2.868 -7.940 1.00 61.23 C ATOM 845 NZ LYS A 53 6.290 4.060 -8.417 1.00 63.13 N ATOM 0 H LYS A 53 4.489 -1.239 -8.589 1.00 53.45 H new ATOM 0 HA LYS A 53 5.682 -0.615 -6.154 1.00 24.15 H new ATOM 0 HB2 LYS A 53 3.153 0.379 -7.510 1.00 51.22 H new ATOM 0 HB3 LYS A 53 3.836 1.129 -6.082 1.00 51.22 H new ATOM 0 HG2 LYS A 53 5.348 0.813 -8.697 1.00 63.23 H new ATOM 0 HG3 LYS A 53 4.423 2.240 -8.275 1.00 63.23 H new ATOM 0 HD2 LYS A 53 5.829 2.498 -6.207 1.00 42.54 H new ATOM 0 HD3 LYS A 53 6.788 1.122 -6.715 1.00 42.54 H new ATOM 0 HE2 LYS A 53 7.909 3.194 -7.366 1.00 61.23 H new ATOM 0 HE3 LYS A 53 7.419 2.311 -8.798 1.00 61.23 H new ATOM 0 HZ1 LYS A 53 6.958 4.772 -8.774 1.00 63.13 H new ATOM 0 HZ2 LYS A 53 5.642 3.779 -9.181 1.00 63.13 H new ATOM 0 HZ3 LYS A 53 5.743 4.463 -7.630 1.00 63.13 H new ATOM 859 N ALA A 54 2.691 -1.993 -5.886 1.00 62.01 N ATOM 860 CA ALA A 54 1.759 -2.601 -4.944 1.00 11.21 C ATOM 861 C ALA A 54 2.394 -3.785 -4.216 1.00 14.42 C ATOM 862 O ALA A 54 2.403 -3.834 -2.987 1.00 34.42 O ATOM 863 CB ALA A 54 0.491 -3.036 -5.665 1.00 42.53 C ATOM 0 H ALA A 54 2.403 -2.052 -6.863 1.00 62.01 H new ATOM 0 HA ALA A 54 1.501 -1.852 -4.195 1.00 11.21 H new ATOM 0 HB1 ALA A 54 -0.197 -3.488 -4.951 1.00 42.53 H new ATOM 0 HB2 ALA A 54 0.018 -2.168 -6.125 1.00 42.53 H new ATOM 0 HB3 ALA A 54 0.743 -3.763 -6.437 1.00 42.53 H new ATOM 869 N LEU A 55 2.948 -4.721 -4.982 1.00 73.25 N ATOM 870 CA LEU A 55 3.544 -5.935 -4.418 1.00 13.45 C ATOM 871 C LEU A 55 4.671 -5.614 -3.446 1.00 34.12 C ATOM 872 O LEU A 55 4.766 -6.213 -2.371 1.00 31.34 O ATOM 873 CB LEU A 55 4.082 -6.835 -5.533 1.00 65.43 C ATOM 874 CG LEU A 55 3.021 -7.497 -6.408 1.00 62.54 C ATOM 875 CD1 LEU A 55 3.676 -8.250 -7.554 1.00 74.30 C ATOM 876 CD2 LEU A 55 2.161 -8.438 -5.579 1.00 62.21 C ATOM 0 H LEU A 55 2.998 -4.664 -5.999 1.00 73.25 H new ATOM 0 HA LEU A 55 2.756 -6.454 -3.872 1.00 13.45 H new ATOM 0 HB2 LEU A 55 4.737 -6.242 -6.171 1.00 65.43 H new ATOM 0 HB3 LEU A 55 4.696 -7.615 -5.083 1.00 65.43 H new ATOM 0 HG LEU A 55 2.381 -6.719 -6.824 1.00 62.54 H new ATOM 0 HD11 LEU A 55 2.907 -8.717 -8.169 1.00 74.30 H new ATOM 0 HD12 LEU A 55 4.255 -7.555 -8.162 1.00 74.30 H new ATOM 0 HD13 LEU A 55 4.337 -9.019 -7.154 1.00 74.30 H new ATOM 0 HD21 LEU A 55 1.409 -8.902 -6.218 1.00 62.21 H new ATOM 0 HD22 LEU A 55 2.789 -9.211 -5.138 1.00 62.21 H new ATOM 0 HD23 LEU A 55 1.667 -7.876 -4.787 1.00 62.21 H new ATOM 888 N ASN A 56 5.518 -4.672 -3.832 1.00 34.01 N ATOM 889 CA ASN A 56 6.680 -4.305 -3.031 1.00 21.12 C ATOM 890 C ASN A 56 6.267 -3.646 -1.718 1.00 44.34 C ATOM 891 O ASN A 56 6.787 -3.989 -0.653 1.00 61.25 O ATOM 892 CB ASN A 56 7.598 -3.372 -3.831 1.00 4.20 C ATOM 893 CG ASN A 56 8.359 -4.100 -4.929 1.00 32.11 C ATOM 894 OD1 ASN A 56 8.757 -5.255 -4.765 1.00 13.10 O ATOM 895 ND2 ASN A 56 8.545 -3.440 -6.066 1.00 1.13 N ATOM 0 H ASN A 56 5.423 -4.144 -4.700 1.00 34.01 H new ATOM 0 HA ASN A 56 7.223 -5.218 -2.787 1.00 21.12 H new ATOM 0 HB2 ASN A 56 7.002 -2.575 -4.275 1.00 4.20 H new ATOM 0 HB3 ASN A 56 8.309 -2.899 -3.153 1.00 4.20 H new ATOM 0 HD21 ASN A 56 9.032 -3.888 -6.842 1.00 1.13 H new ATOM 0 HD22 ASN A 56 8.201 -2.485 -6.163 1.00 1.13 H new ATOM 902 N ASN A 57 5.316 -2.720 -1.786 1.00 75.04 N ATOM 903 CA ASN A 57 4.900 -1.978 -0.598 1.00 44.41 C ATOM 904 C ASN A 57 4.033 -2.826 0.324 1.00 20.43 C ATOM 905 O ASN A 57 4.102 -2.686 1.545 1.00 75.30 O ATOM 906 CB ASN A 57 4.175 -0.687 -0.976 1.00 41.24 C ATOM 907 CG ASN A 57 5.135 0.388 -1.441 1.00 23.32 C ATOM 908 OD1 ASN A 57 5.685 1.136 -0.637 1.00 10.12 O ATOM 909 ND2 ASN A 57 5.345 0.482 -2.743 1.00 55.30 N ATOM 0 H ASN A 57 4.822 -2.466 -2.642 1.00 75.04 H new ATOM 0 HA ASN A 57 5.807 -1.715 -0.054 1.00 44.41 H new ATOM 0 HB2 ASN A 57 3.453 -0.895 -1.766 1.00 41.24 H new ATOM 0 HB3 ASN A 57 3.612 -0.323 -0.117 1.00 41.24 H new ATOM 0 HD21 ASN A 57 5.980 1.192 -3.107 1.00 55.30 H new ATOM 0 HD22 ASN A 57 4.872 -0.156 -3.383 1.00 55.30 H new ATOM 916 N TYR A 58 3.222 -3.712 -0.249 1.00 71.44 N ATOM 917 CA TYR A 58 2.447 -4.646 0.562 1.00 44.51 C ATOM 918 C TYR A 58 3.379 -5.517 1.389 1.00 24.32 C ATOM 919 O TYR A 58 3.092 -5.829 2.541 1.00 64.31 O ATOM 920 CB TYR A 58 1.535 -5.524 -0.300 1.00 53.23 C ATOM 921 CG TYR A 58 0.256 -4.842 -0.733 1.00 1.31 C ATOM 922 CD1 TYR A 58 -0.413 -3.970 0.120 1.00 43.45 C ATOM 923 CD2 TYR A 58 -0.294 -5.078 -1.988 1.00 51.34 C ATOM 924 CE1 TYR A 58 -1.587 -3.356 -0.264 1.00 1.44 C ATOM 925 CE2 TYR A 58 -1.469 -4.464 -2.379 1.00 71.42 C ATOM 926 CZ TYR A 58 -2.110 -3.605 -1.514 1.00 65.53 C ATOM 927 OH TYR A 58 -3.281 -2.992 -1.895 1.00 61.31 O ATOM 0 H TYR A 58 3.086 -3.803 -1.256 1.00 71.44 H new ATOM 0 HA TYR A 58 1.812 -4.060 1.227 1.00 44.51 H new ATOM 0 HB2 TYR A 58 2.084 -5.840 -1.187 1.00 53.23 H new ATOM 0 HB3 TYR A 58 1.283 -6.426 0.258 1.00 53.23 H new ATOM 0 HD1 TYR A 58 -0.006 -3.770 1.100 1.00 43.45 H new ATOM 0 HD2 TYR A 58 0.205 -5.752 -2.668 1.00 51.34 H new ATOM 0 HE1 TYR A 58 -2.094 -2.683 0.412 1.00 1.44 H new ATOM 0 HE2 TYR A 58 -1.882 -4.657 -3.358 1.00 71.42 H new ATOM 0 HH TYR A 58 -3.477 -2.252 -1.283 1.00 61.31 H new ATOM 937 N GLN A 59 4.506 -5.893 0.796 1.00 1.13 N ATOM 938 CA GLN A 59 5.521 -6.663 1.504 1.00 13.34 C ATOM 939 C GLN A 59 6.044 -5.878 2.702 1.00 41.12 C ATOM 940 O GLN A 59 6.155 -6.414 3.803 1.00 3.44 O ATOM 941 CB GLN A 59 6.678 -7.008 0.566 1.00 23.32 C ATOM 942 CG GLN A 59 7.838 -7.720 1.247 1.00 14.21 C ATOM 943 CD GLN A 59 7.450 -9.068 1.819 1.00 31.51 C ATOM 944 OE1 GLN A 59 7.542 -10.092 1.140 1.00 44.44 O ATOM 945 NE2 GLN A 59 7.019 -9.084 3.072 1.00 35.23 N ATOM 0 H GLN A 59 4.740 -5.677 -0.173 1.00 1.13 H new ATOM 0 HA GLN A 59 5.065 -7.587 1.859 1.00 13.34 H new ATOM 0 HB2 GLN A 59 6.302 -7.637 -0.241 1.00 23.32 H new ATOM 0 HB3 GLN A 59 7.047 -6.090 0.109 1.00 23.32 H new ATOM 0 HG2 GLN A 59 8.647 -7.855 0.529 1.00 14.21 H new ATOM 0 HG3 GLN A 59 8.225 -7.089 2.047 1.00 14.21 H new ATOM 0 HE21 GLN A 59 6.957 -8.214 3.601 1.00 35.23 H new ATOM 0 HE22 GLN A 59 6.749 -9.966 3.507 1.00 35.23 H new ATOM 954 N SER A 60 6.347 -4.604 2.476 1.00 64.05 N ATOM 955 CA SER A 60 6.896 -3.742 3.518 1.00 31.22 C ATOM 956 C SER A 60 5.962 -3.648 4.728 1.00 31.25 C ATOM 957 O SER A 60 6.421 -3.541 5.867 1.00 33.23 O ATOM 958 CB SER A 60 7.161 -2.352 2.941 1.00 54.44 C ATOM 959 OG SER A 60 7.981 -2.434 1.786 1.00 44.42 O ATOM 0 H SER A 60 6.221 -4.143 1.575 1.00 64.05 H new ATOM 0 HA SER A 60 7.832 -4.180 3.865 1.00 31.22 H new ATOM 0 HB2 SER A 60 6.216 -1.872 2.688 1.00 54.44 H new ATOM 0 HB3 SER A 60 7.645 -1.728 3.692 1.00 54.44 H new ATOM 0 HG SER A 60 8.137 -1.534 1.431 1.00 44.42 H new ATOM 965 N ALA A 61 4.656 -3.690 4.478 1.00 14.24 N ATOM 966 CA ALA A 61 3.671 -3.663 5.553 1.00 1.10 C ATOM 967 C ALA A 61 3.728 -4.951 6.365 1.00 63.34 C ATOM 968 O ALA A 61 3.688 -4.930 7.599 1.00 25.24 O ATOM 969 CB ALA A 61 2.271 -3.459 4.988 1.00 53.44 C ATOM 0 H ALA A 61 4.256 -3.743 3.541 1.00 14.24 H new ATOM 0 HA ALA A 61 3.907 -2.827 6.212 1.00 1.10 H new ATOM 0 HB1 ALA A 61 1.548 -3.441 5.804 1.00 53.44 H new ATOM 0 HB2 ALA A 61 2.231 -2.513 4.447 1.00 53.44 H new ATOM 0 HB3 ALA A 61 2.030 -4.276 4.308 1.00 53.44 H new ATOM 975 N ILE A 62 3.849 -6.069 5.662 1.00 0.25 N ATOM 976 CA ILE A 62 3.872 -7.380 6.300 1.00 4.34 C ATOM 977 C ILE A 62 5.156 -7.577 7.106 1.00 32.33 C ATOM 978 O ILE A 62 5.169 -8.301 8.102 1.00 55.04 O ATOM 979 CB ILE A 62 3.735 -8.519 5.265 1.00 60.43 C ATOM 980 CG1 ILE A 62 2.545 -8.256 4.339 1.00 21.33 C ATOM 981 CG2 ILE A 62 3.565 -9.853 5.975 1.00 14.10 C ATOM 982 CD1 ILE A 62 2.392 -9.279 3.234 1.00 73.42 C ATOM 0 H ILE A 62 3.933 -6.095 4.646 1.00 0.25 H new ATOM 0 HA ILE A 62 3.017 -7.418 6.975 1.00 4.34 H new ATOM 0 HB ILE A 62 4.642 -8.555 4.662 1.00 60.43 H new ATOM 0 HG12 ILE A 62 1.631 -8.238 4.933 1.00 21.33 H new ATOM 0 HG13 ILE A 62 2.655 -7.267 3.893 1.00 21.33 H new ATOM 0 HG21 ILE A 62 3.469 -10.649 5.236 1.00 14.10 H new ATOM 0 HG22 ILE A 62 4.435 -10.044 6.604 1.00 14.10 H new ATOM 0 HG23 ILE A 62 2.669 -9.824 6.595 1.00 14.10 H new ATOM 0 HD11 ILE A 62 1.528 -9.025 2.620 1.00 73.42 H new ATOM 0 HD12 ILE A 62 3.289 -9.282 2.614 1.00 73.42 H new ATOM 0 HD13 ILE A 62 2.249 -10.267 3.671 1.00 73.42 H new ATOM 994 N GLU A 63 6.234 -6.930 6.671 1.00 2.41 N ATOM 995 CA GLU A 63 7.510 -7.004 7.379 1.00 32.03 C ATOM 996 C GLU A 63 7.363 -6.481 8.803 1.00 33.32 C ATOM 997 O GLU A 63 8.012 -6.967 9.730 1.00 63.24 O ATOM 998 CB GLU A 63 8.585 -6.195 6.651 1.00 40.11 C ATOM 999 CG GLU A 63 8.899 -6.700 5.253 1.00 23.51 C ATOM 1000 CD GLU A 63 10.049 -5.950 4.615 1.00 24.34 C ATOM 1001 OE1 GLU A 63 9.811 -4.894 3.995 1.00 71.12 O ATOM 1002 OE2 GLU A 63 11.204 -6.413 4.735 1.00 11.02 O ATOM 0 H GLU A 63 6.250 -6.349 5.833 1.00 2.41 H new ATOM 0 HA GLU A 63 7.813 -8.051 7.409 1.00 32.03 H new ATOM 0 HB2 GLU A 63 8.262 -5.156 6.587 1.00 40.11 H new ATOM 0 HB3 GLU A 63 9.499 -6.208 7.245 1.00 40.11 H new ATOM 0 HG2 GLU A 63 9.142 -7.762 5.299 1.00 23.51 H new ATOM 0 HG3 GLU A 63 8.012 -6.602 4.626 1.00 23.51 H new ATOM 1009 N LEU A 64 6.496 -5.492 8.967 1.00 11.03 N ATOM 1010 CA LEU A 64 6.270 -4.883 10.266 1.00 45.53 C ATOM 1011 C LEU A 64 5.213 -5.655 11.043 1.00 13.12 C ATOM 1012 O LEU A 64 5.378 -5.932 12.231 1.00 41.51 O ATOM 1013 CB LEU A 64 5.839 -3.426 10.095 1.00 43.53 C ATOM 1014 CG LEU A 64 6.846 -2.533 9.370 1.00 1.23 C ATOM 1015 CD1 LEU A 64 6.276 -1.141 9.187 1.00 2.14 C ATOM 1016 CD2 LEU A 64 8.159 -2.475 10.138 1.00 31.42 C ATOM 0 H LEU A 64 5.937 -5.094 8.212 1.00 11.03 H new ATOM 0 HA LEU A 64 7.203 -4.913 10.829 1.00 45.53 H new ATOM 0 HB2 LEU A 64 4.897 -3.404 9.547 1.00 43.53 H new ATOM 0 HB3 LEU A 64 5.645 -3.003 11.080 1.00 43.53 H new ATOM 0 HG LEU A 64 7.043 -2.960 8.387 1.00 1.23 H new ATOM 0 HD11 LEU A 64 7.003 -0.515 8.669 1.00 2.14 H new ATOM 0 HD12 LEU A 64 5.361 -1.197 8.598 1.00 2.14 H new ATOM 0 HD13 LEU A 64 6.053 -0.708 10.162 1.00 2.14 H new ATOM 0 HD21 LEU A 64 8.863 -1.835 9.607 1.00 31.42 H new ATOM 0 HD22 LEU A 64 7.980 -2.070 11.134 1.00 31.42 H new ATOM 0 HD23 LEU A 64 8.575 -3.479 10.224 1.00 31.42 H new ATOM 1028 N ASN A 65 4.130 -6.014 10.367 1.00 74.13 N ATOM 1029 CA ASN A 65 3.035 -6.717 11.019 1.00 2.04 C ATOM 1030 C ASN A 65 2.521 -7.861 10.148 1.00 4.21 C ATOM 1031 O ASN A 65 1.916 -7.636 9.102 1.00 1.15 O ATOM 1032 CB ASN A 65 1.900 -5.740 11.346 1.00 51.13 C ATOM 1033 CG ASN A 65 0.693 -6.419 11.969 1.00 30.41 C ATOM 1034 OD1 ASN A 65 0.805 -7.478 12.586 1.00 55.14 O ATOM 1035 ND2 ASN A 65 -0.469 -5.804 11.819 1.00 1.44 N ATOM 0 H ASN A 65 3.987 -5.831 9.374 1.00 74.13 H new ATOM 0 HA ASN A 65 3.410 -7.146 11.948 1.00 2.04 H new ATOM 0 HB2 ASN A 65 2.272 -4.975 12.028 1.00 51.13 H new ATOM 0 HB3 ASN A 65 1.592 -5.231 10.433 1.00 51.13 H new ATOM 0 HD21 ASN A 65 -1.315 -6.207 12.222 1.00 1.44 H new ATOM 0 HD22 ASN A 65 -0.519 -4.927 11.300 1.00 1.44 H new ATOM 1042 N PRO A 66 2.765 -9.111 10.576 1.00 64.10 N ATOM 1043 CA PRO A 66 2.322 -10.307 9.854 1.00 51.24 C ATOM 1044 C PRO A 66 0.819 -10.554 9.991 1.00 65.54 C ATOM 1045 O PRO A 66 0.276 -11.489 9.407 1.00 13.53 O ATOM 1046 CB PRO A 66 3.106 -11.451 10.520 1.00 14.24 C ATOM 1047 CG PRO A 66 4.101 -10.793 11.418 1.00 15.13 C ATOM 1048 CD PRO A 66 3.513 -9.465 11.785 1.00 24.33 C ATOM 0 HA PRO A 66 2.502 -10.213 8.783 1.00 51.24 H new ATOM 0 HB2 PRO A 66 2.441 -12.104 11.085 1.00 14.24 H new ATOM 0 HB3 PRO A 66 3.603 -12.071 9.774 1.00 14.24 H new ATOM 0 HG2 PRO A 66 4.284 -11.397 12.306 1.00 15.13 H new ATOM 0 HG3 PRO A 66 5.059 -10.669 10.914 1.00 15.13 H new ATOM 0 HD2 PRO A 66 2.865 -9.534 12.659 1.00 24.33 H new ATOM 0 HD3 PRO A 66 4.283 -8.729 12.017 1.00 24.33 H new ATOM 1056 N ASP A 67 0.153 -9.725 10.780 1.00 60.20 N ATOM 1057 CA ASP A 67 -1.289 -9.831 10.951 1.00 64.12 C ATOM 1058 C ASP A 67 -1.989 -8.727 10.176 1.00 43.43 C ATOM 1059 O ASP A 67 -3.201 -8.534 10.294 1.00 22.13 O ATOM 1060 CB ASP A 67 -1.665 -9.760 12.431 1.00 43.30 C ATOM 1061 CG ASP A 67 -1.036 -10.874 13.240 1.00 22.23 C ATOM 1062 OD1 ASP A 67 -1.547 -12.012 13.193 1.00 52.43 O ATOM 1063 OD2 ASP A 67 -0.023 -10.620 13.920 1.00 0.45 O ATOM 0 H ASP A 67 0.587 -8.971 11.312 1.00 60.20 H new ATOM 0 HA ASP A 67 -1.613 -10.796 10.562 1.00 64.12 H new ATOM 0 HB2 ASP A 67 -1.352 -8.798 12.837 1.00 43.30 H new ATOM 0 HB3 ASP A 67 -2.749 -9.810 12.530 1.00 43.30 H new ATOM 1068 N SER A 68 -1.207 -8.016 9.377 1.00 72.11 N ATOM 1069 CA SER A 68 -1.708 -6.924 8.559 1.00 51.44 C ATOM 1070 C SER A 68 -2.674 -7.438 7.493 1.00 72.31 C ATOM 1071 O SER A 68 -2.534 -8.562 7.003 1.00 14.33 O ATOM 1072 CB SER A 68 -0.528 -6.206 7.893 1.00 53.22 C ATOM 1073 OG SER A 68 -0.963 -5.176 7.024 1.00 45.33 O ATOM 0 H SER A 68 -0.205 -8.181 9.278 1.00 72.11 H new ATOM 0 HA SER A 68 -2.250 -6.228 9.199 1.00 51.44 H new ATOM 0 HB2 SER A 68 0.121 -5.784 8.660 1.00 53.22 H new ATOM 0 HB3 SER A 68 0.067 -6.927 7.333 1.00 53.22 H new ATOM 0 HG SER A 68 -0.185 -4.739 6.619 1.00 45.33 H new ATOM 1079 N PRO A 69 -3.678 -6.624 7.124 1.00 4.22 N ATOM 1080 CA PRO A 69 -4.572 -6.932 6.005 1.00 21.23 C ATOM 1081 C PRO A 69 -3.821 -6.967 4.674 1.00 64.32 C ATOM 1082 O PRO A 69 -4.354 -7.415 3.656 1.00 43.42 O ATOM 1083 CB PRO A 69 -5.588 -5.782 6.021 1.00 3.01 C ATOM 1084 CG PRO A 69 -4.920 -4.684 6.775 1.00 5.45 C ATOM 1085 CD PRO A 69 -4.037 -5.357 7.785 1.00 53.31 C ATOM 0 HA PRO A 69 -5.033 -7.915 6.106 1.00 21.23 H new ATOM 0 HB2 PRO A 69 -5.843 -5.467 5.009 1.00 3.01 H new ATOM 0 HB3 PRO A 69 -6.517 -6.084 6.504 1.00 3.01 H new ATOM 0 HG2 PRO A 69 -4.337 -4.050 6.107 1.00 5.45 H new ATOM 0 HG3 PRO A 69 -5.654 -4.043 7.263 1.00 5.45 H new ATOM 0 HD2 PRO A 69 -3.156 -4.757 8.013 1.00 53.31 H new ATOM 0 HD3 PRO A 69 -4.559 -5.527 8.727 1.00 53.31 H new ATOM 1093 N ALA A 70 -2.567 -6.510 4.698 1.00 14.40 N ATOM 1094 CA ALA A 70 -1.720 -6.502 3.512 1.00 54.41 C ATOM 1095 C ALA A 70 -1.487 -7.916 2.993 1.00 12.12 C ATOM 1096 O ALA A 70 -1.163 -8.108 1.825 1.00 4.11 O ATOM 1097 CB ALA A 70 -0.393 -5.824 3.812 1.00 25.02 C ATOM 0 H ALA A 70 -2.117 -6.139 5.535 1.00 14.40 H new ATOM 0 HA ALA A 70 -2.235 -5.937 2.735 1.00 54.41 H new ATOM 0 HB1 ALA A 70 0.228 -5.827 2.916 1.00 25.02 H new ATOM 0 HB2 ALA A 70 -0.573 -4.796 4.126 1.00 25.02 H new ATOM 0 HB3 ALA A 70 0.119 -6.363 4.609 1.00 25.02 H new ATOM 1103 N LEU A 71 -1.658 -8.906 3.866 1.00 54.24 N ATOM 1104 CA LEU A 71 -1.556 -10.302 3.465 1.00 54.45 C ATOM 1105 C LEU A 71 -2.610 -10.624 2.417 1.00 72.02 C ATOM 1106 O LEU A 71 -2.299 -11.142 1.346 1.00 71.43 O ATOM 1107 CB LEU A 71 -1.723 -11.235 4.668 1.00 1.40 C ATOM 1108 CG LEU A 71 -0.460 -11.497 5.495 1.00 25.12 C ATOM 1109 CD1 LEU A 71 -0.006 -10.238 6.218 1.00 3.33 C ATOM 1110 CD2 LEU A 71 -0.709 -12.625 6.485 1.00 32.44 C ATOM 0 H LEU A 71 -1.868 -8.765 4.854 1.00 54.24 H new ATOM 0 HA LEU A 71 -0.564 -10.459 3.042 1.00 54.45 H new ATOM 0 HB2 LEU A 71 -2.483 -10.814 5.326 1.00 1.40 H new ATOM 0 HB3 LEU A 71 -2.104 -12.192 4.311 1.00 1.40 H new ATOM 0 HG LEU A 71 0.339 -11.795 4.816 1.00 25.12 H new ATOM 0 HD11 LEU A 71 0.892 -10.454 6.797 1.00 3.33 H new ATOM 0 HD12 LEU A 71 0.212 -9.458 5.488 1.00 3.33 H new ATOM 0 HD13 LEU A 71 -0.796 -9.898 6.888 1.00 3.33 H new ATOM 0 HD21 LEU A 71 0.195 -12.804 7.068 1.00 32.44 H new ATOM 0 HD22 LEU A 71 -1.524 -12.349 7.154 1.00 32.44 H new ATOM 0 HD23 LEU A 71 -0.976 -13.532 5.943 1.00 32.44 H new ATOM 1122 N GLN A 72 -3.855 -10.284 2.720 1.00 52.21 N ATOM 1123 CA GLN A 72 -4.959 -10.536 1.808 1.00 53.02 C ATOM 1124 C GLN A 72 -4.815 -9.676 0.565 1.00 73.30 C ATOM 1125 O GLN A 72 -5.125 -10.110 -0.549 1.00 23.33 O ATOM 1126 CB GLN A 72 -6.295 -10.246 2.492 1.00 63.15 C ATOM 1127 CG GLN A 72 -6.511 -11.038 3.769 1.00 64.12 C ATOM 1128 CD GLN A 72 -6.407 -12.534 3.550 1.00 13.41 C ATOM 1129 OE1 GLN A 72 -6.715 -13.045 2.472 1.00 10.52 O ATOM 1130 NE2 GLN A 72 -5.972 -13.246 4.573 1.00 13.22 N ATOM 0 H GLN A 72 -4.125 -9.832 3.593 1.00 52.21 H new ATOM 0 HA GLN A 72 -4.937 -11.587 1.519 1.00 53.02 H new ATOM 0 HB2 GLN A 72 -6.353 -9.182 2.721 1.00 63.15 H new ATOM 0 HB3 GLN A 72 -7.105 -10.467 1.797 1.00 63.15 H new ATOM 0 HG2 GLN A 72 -5.775 -10.731 4.512 1.00 64.12 H new ATOM 0 HG3 GLN A 72 -7.494 -10.801 4.177 1.00 64.12 H new ATOM 0 HE21 GLN A 72 -5.727 -12.784 5.449 1.00 13.22 H new ATOM 0 HE22 GLN A 72 -5.880 -14.258 4.488 1.00 13.22 H new ATOM 1139 N ALA A 73 -4.316 -8.462 0.768 1.00 20.12 N ATOM 1140 CA ALA A 73 -4.133 -7.504 -0.313 1.00 72.12 C ATOM 1141 C ALA A 73 -3.051 -7.959 -1.287 1.00 34.34 C ATOM 1142 O ALA A 73 -3.197 -7.818 -2.495 1.00 51.24 O ATOM 1143 CB ALA A 73 -3.802 -6.134 0.252 1.00 3.33 C ATOM 0 H ALA A 73 -4.028 -8.116 1.683 1.00 20.12 H new ATOM 0 HA ALA A 73 -5.069 -7.441 -0.869 1.00 72.12 H new ATOM 0 HB1 ALA A 73 -3.667 -5.426 -0.566 1.00 3.33 H new ATOM 0 HB2 ALA A 73 -4.617 -5.798 0.892 1.00 3.33 H new ATOM 0 HB3 ALA A 73 -2.883 -6.193 0.835 1.00 3.33 H new ATOM 1149 N ARG A 74 -1.972 -8.522 -0.769 1.00 2.01 N ATOM 1150 CA ARG A 74 -0.890 -8.980 -1.624 1.00 2.41 C ATOM 1151 C ARG A 74 -1.318 -10.233 -2.384 1.00 72.44 C ATOM 1152 O ARG A 74 -0.959 -10.418 -3.548 1.00 11.31 O ATOM 1153 CB ARG A 74 0.369 -9.256 -0.804 1.00 61.24 C ATOM 1154 CG ARG A 74 1.644 -9.147 -1.620 1.00 4.22 C ATOM 1155 CD ARG A 74 2.881 -9.373 -0.770 1.00 0.11 C ATOM 1156 NE ARG A 74 4.090 -8.907 -1.449 1.00 24.14 N ATOM 1157 CZ ARG A 74 5.252 -9.553 -1.443 1.00 61.10 C ATOM 1158 NH1 ARG A 74 5.371 -10.728 -0.834 1.00 21.41 N ATOM 1159 NH2 ARG A 74 6.297 -9.021 -2.065 1.00 12.33 N ATOM 0 H ARG A 74 -1.822 -8.672 0.229 1.00 2.01 H new ATOM 0 HA ARG A 74 -0.660 -8.194 -2.343 1.00 2.41 H new ATOM 0 HB2 ARG A 74 0.415 -8.553 0.028 1.00 61.24 H new ATOM 0 HB3 ARG A 74 0.304 -10.255 -0.374 1.00 61.24 H new ATOM 0 HG2 ARG A 74 1.621 -9.877 -2.429 1.00 4.22 H new ATOM 0 HG3 ARG A 74 1.696 -8.161 -2.082 1.00 4.22 H new ATOM 0 HD2 ARG A 74 2.771 -8.850 0.180 1.00 0.11 H new ATOM 0 HD3 ARG A 74 2.977 -10.434 -0.541 1.00 0.11 H new ATOM 0 HE ARG A 74 4.038 -8.027 -1.962 1.00 24.14 H new ATOM 0 HH11 ARG A 74 4.566 -11.143 -0.365 1.00 21.41 H new ATOM 0 HH12 ARG A 74 6.267 -11.215 -0.836 1.00 21.41 H new ATOM 0 HH21 ARG A 74 6.204 -8.124 -2.542 1.00 12.33 H new ATOM 0 HH22 ARG A 74 7.193 -9.509 -2.066 1.00 12.33 H new ATOM 1173 N LYS A 75 -2.105 -11.074 -1.720 1.00 60.43 N ATOM 1174 CA LYS A 75 -2.640 -12.284 -2.339 1.00 24.25 C ATOM 1175 C LYS A 75 -3.567 -11.944 -3.495 1.00 42.32 C ATOM 1176 O LYS A 75 -3.425 -12.482 -4.592 1.00 13.42 O ATOM 1177 CB LYS A 75 -3.396 -13.126 -1.310 1.00 70.01 C ATOM 1178 CG LYS A 75 -2.558 -14.223 -0.672 1.00 73.14 C ATOM 1179 CD LYS A 75 -1.268 -13.682 -0.089 1.00 15.15 C ATOM 1180 CE LYS A 75 -0.488 -14.764 0.632 1.00 5.53 C ATOM 1181 NZ LYS A 75 -0.159 -15.911 -0.260 1.00 63.43 N ATOM 0 H LYS A 75 -2.388 -10.940 -0.749 1.00 60.43 H new ATOM 0 HA LYS A 75 -1.796 -12.857 -2.723 1.00 24.25 H new ATOM 0 HB2 LYS A 75 -3.774 -12.470 -0.526 1.00 70.01 H new ATOM 0 HB3 LYS A 75 -4.262 -13.579 -1.792 1.00 70.01 H new ATOM 0 HG2 LYS A 75 -3.135 -14.710 0.114 1.00 73.14 H new ATOM 0 HG3 LYS A 75 -2.328 -14.984 -1.417 1.00 73.14 H new ATOM 0 HD2 LYS A 75 -0.656 -13.260 -0.886 1.00 15.15 H new ATOM 0 HD3 LYS A 75 -1.492 -12.871 0.604 1.00 15.15 H new ATOM 0 HE2 LYS A 75 0.434 -14.340 1.031 1.00 5.53 H new ATOM 0 HE3 LYS A 75 -1.068 -15.122 1.482 1.00 5.53 H new ATOM 0 HZ1 LYS A 75 0.526 -16.534 0.214 1.00 63.43 H new ATOM 0 HZ2 LYS A 75 -1.025 -16.446 -0.471 1.00 63.43 H new ATOM 0 HZ3 LYS A 75 0.252 -15.555 -1.146 1.00 63.43 H new ATOM 1195 N MET A 76 -4.514 -11.047 -3.239 1.00 30.32 N ATOM 1196 CA MET A 76 -5.484 -10.655 -4.263 1.00 73.43 C ATOM 1197 C MET A 76 -4.792 -10.028 -5.469 1.00 53.11 C ATOM 1198 O MET A 76 -5.231 -10.214 -6.601 1.00 64.02 O ATOM 1199 CB MET A 76 -6.544 -9.691 -3.715 1.00 41.43 C ATOM 1200 CG MET A 76 -5.982 -8.406 -3.135 1.00 64.02 C ATOM 1201 SD MET A 76 -7.064 -6.990 -3.380 1.00 52.14 S ATOM 1202 CE MET A 76 -6.899 -6.763 -5.149 1.00 44.33 C ATOM 0 H MET A 76 -4.633 -10.580 -2.340 1.00 30.32 H new ATOM 0 HA MET A 76 -5.988 -11.569 -4.578 1.00 73.43 H new ATOM 0 HB2 MET A 76 -7.239 -9.440 -4.517 1.00 41.43 H new ATOM 0 HB3 MET A 76 -7.119 -10.203 -2.943 1.00 41.43 H new ATOM 0 HG2 MET A 76 -5.807 -8.542 -2.068 1.00 64.02 H new ATOM 0 HG3 MET A 76 -5.014 -8.200 -3.593 1.00 64.02 H new ATOM 0 HE1 MET A 76 -6.620 -5.730 -5.359 1.00 44.33 H new ATOM 0 HE2 MET A 76 -6.128 -7.432 -5.531 1.00 44.33 H new ATOM 0 HE3 MET A 76 -7.848 -6.988 -5.635 1.00 44.33 H new ATOM 1212 N VAL A 77 -3.711 -9.293 -5.230 1.00 35.24 N ATOM 1213 CA VAL A 77 -2.946 -8.701 -6.321 1.00 33.23 C ATOM 1214 C VAL A 77 -2.313 -9.793 -7.180 1.00 4.14 C ATOM 1215 O VAL A 77 -2.420 -9.763 -8.403 1.00 21.11 O ATOM 1216 CB VAL A 77 -1.850 -7.738 -5.808 1.00 24.24 C ATOM 1217 CG1 VAL A 77 -0.928 -7.307 -6.939 1.00 74.21 C ATOM 1218 CG2 VAL A 77 -2.480 -6.518 -5.154 1.00 43.20 C ATOM 0 H VAL A 77 -3.347 -9.094 -4.298 1.00 35.24 H new ATOM 0 HA VAL A 77 -3.644 -8.120 -6.924 1.00 33.23 H new ATOM 0 HB VAL A 77 -1.255 -8.270 -5.066 1.00 24.24 H new ATOM 0 HG11 VAL A 77 -0.167 -6.630 -6.550 1.00 74.21 H new ATOM 0 HG12 VAL A 77 -0.447 -8.185 -7.371 1.00 74.21 H new ATOM 0 HG13 VAL A 77 -1.509 -6.797 -7.707 1.00 74.21 H new ATOM 0 HG21 VAL A 77 -1.696 -5.850 -4.798 1.00 43.20 H new ATOM 0 HG22 VAL A 77 -3.100 -5.994 -5.882 1.00 43.20 H new ATOM 0 HG23 VAL A 77 -3.097 -6.834 -4.313 1.00 43.20 H new ATOM 1228 N MET A 78 -1.680 -10.768 -6.532 1.00 22.14 N ATOM 1229 CA MET A 78 -1.055 -11.883 -7.242 1.00 15.04 C ATOM 1230 C MET A 78 -2.101 -12.690 -8.001 1.00 3.10 C ATOM 1231 O MET A 78 -1.834 -13.221 -9.079 1.00 31.22 O ATOM 1232 CB MET A 78 -0.297 -12.785 -6.271 1.00 73.52 C ATOM 1233 CG MET A 78 0.911 -12.109 -5.652 1.00 63.11 C ATOM 1234 SD MET A 78 1.827 -13.185 -4.539 1.00 31.04 S ATOM 1235 CE MET A 78 3.110 -12.058 -4.012 1.00 12.14 C ATOM 0 H MET A 78 -1.586 -10.809 -5.517 1.00 22.14 H new ATOM 0 HA MET A 78 -0.345 -11.471 -7.959 1.00 15.04 H new ATOM 0 HB2 MET A 78 -0.973 -13.105 -5.478 1.00 73.52 H new ATOM 0 HB3 MET A 78 0.026 -13.684 -6.796 1.00 73.52 H new ATOM 0 HG2 MET A 78 1.575 -11.767 -6.446 1.00 63.11 H new ATOM 0 HG3 MET A 78 0.585 -11.224 -5.106 1.00 63.11 H new ATOM 0 HE1 MET A 78 3.511 -12.386 -3.053 1.00 12.14 H new ATOM 0 HE2 MET A 78 3.908 -12.043 -4.754 1.00 12.14 H new ATOM 0 HE3 MET A 78 2.694 -11.056 -3.907 1.00 12.14 H new ATOM 1245 N ASP A 79 -3.288 -12.774 -7.420 1.00 21.52 N ATOM 1246 CA ASP A 79 -4.426 -13.422 -8.065 1.00 64.35 C ATOM 1247 C ASP A 79 -4.775 -12.706 -9.371 1.00 72.11 C ATOM 1248 O ASP A 79 -4.887 -13.331 -10.431 1.00 73.23 O ATOM 1249 CB ASP A 79 -5.621 -13.414 -7.107 1.00 23.13 C ATOM 1250 CG ASP A 79 -6.884 -13.990 -7.710 1.00 3.05 C ATOM 1251 OD1 ASP A 79 -7.054 -15.224 -7.673 1.00 72.11 O ATOM 1252 OD2 ASP A 79 -7.731 -13.202 -8.184 1.00 32.42 O ATOM 0 H ASP A 79 -3.492 -12.398 -6.494 1.00 21.52 H new ATOM 0 HA ASP A 79 -4.169 -14.454 -8.305 1.00 64.35 H new ATOM 0 HB2 ASP A 79 -5.363 -13.982 -6.213 1.00 23.13 H new ATOM 0 HB3 ASP A 79 -5.814 -12.389 -6.789 1.00 23.13 H new ATOM 1257 N ILE A 80 -4.898 -11.382 -9.290 1.00 22.22 N ATOM 1258 CA ILE A 80 -5.158 -10.556 -10.464 1.00 32.05 C ATOM 1259 C ILE A 80 -4.039 -10.724 -11.491 1.00 70.03 C ATOM 1260 O ILE A 80 -4.285 -10.790 -12.697 1.00 54.14 O ATOM 1261 CB ILE A 80 -5.279 -9.062 -10.084 1.00 41.12 C ATOM 1262 CG1 ILE A 80 -6.421 -8.856 -9.090 1.00 1.22 C ATOM 1263 CG2 ILE A 80 -5.499 -8.208 -11.325 1.00 54.34 C ATOM 1264 CD1 ILE A 80 -6.540 -7.436 -8.587 1.00 44.14 C ATOM 0 H ILE A 80 -4.821 -10.858 -8.418 1.00 22.22 H new ATOM 0 HA ILE A 80 -6.104 -10.886 -10.894 1.00 32.05 H new ATOM 0 HB ILE A 80 -4.346 -8.752 -9.613 1.00 41.12 H new ATOM 0 HG12 ILE A 80 -7.359 -9.144 -9.564 1.00 1.22 H new ATOM 0 HG13 ILE A 80 -6.275 -9.522 -8.240 1.00 1.22 H new ATOM 0 HG21 ILE A 80 -5.582 -7.160 -11.036 1.00 54.34 H new ATOM 0 HG22 ILE A 80 -4.657 -8.331 -12.006 1.00 54.34 H new ATOM 0 HG23 ILE A 80 -6.417 -8.520 -11.823 1.00 54.34 H new ATOM 0 HD11 ILE A 80 -7.372 -7.367 -7.886 1.00 44.14 H new ATOM 0 HD12 ILE A 80 -5.617 -7.150 -8.084 1.00 44.14 H new ATOM 0 HD13 ILE A 80 -6.718 -6.766 -9.428 1.00 44.14 H new ATOM 1276 N LEU A 81 -2.811 -10.811 -10.994 1.00 74.15 N ATOM 1277 CA LEU A 81 -1.642 -10.997 -11.848 1.00 11.30 C ATOM 1278 C LEU A 81 -1.760 -12.267 -12.674 1.00 54.35 C ATOM 1279 O LEU A 81 -1.445 -12.268 -13.862 1.00 3.21 O ATOM 1280 CB LEU A 81 -0.365 -11.047 -11.010 1.00 22.31 C ATOM 1281 CG LEU A 81 -0.063 -9.782 -10.218 1.00 10.44 C ATOM 1282 CD1 LEU A 81 1.205 -9.956 -9.403 1.00 13.40 C ATOM 1283 CD2 LEU A 81 0.054 -8.590 -11.151 1.00 2.34 C ATOM 0 H LEU A 81 -2.597 -10.755 -9.998 1.00 74.15 H new ATOM 0 HA LEU A 81 -1.593 -10.145 -12.526 1.00 11.30 H new ATOM 0 HB2 LEU A 81 -0.437 -11.884 -10.315 1.00 22.31 H new ATOM 0 HB3 LEU A 81 0.477 -11.253 -11.671 1.00 22.31 H new ATOM 0 HG LEU A 81 -0.887 -9.597 -9.529 1.00 10.44 H new ATOM 0 HD11 LEU A 81 1.406 -9.043 -8.843 1.00 13.40 H new ATOM 0 HD12 LEU A 81 1.080 -10.787 -8.709 1.00 13.40 H new ATOM 0 HD13 LEU A 81 2.041 -10.164 -10.071 1.00 13.40 H new ATOM 0 HD21 LEU A 81 0.270 -7.693 -10.570 1.00 2.34 H new ATOM 0 HD22 LEU A 81 0.860 -8.764 -11.864 1.00 2.34 H new ATOM 0 HD23 LEU A 81 -0.884 -8.456 -11.690 1.00 2.34 H new ATOM 1295 N ASN A 82 -2.225 -13.340 -12.045 1.00 61.32 N ATOM 1296 CA ASN A 82 -2.392 -14.618 -12.731 1.00 44.20 C ATOM 1297 C ASN A 82 -3.438 -14.496 -13.836 1.00 3.52 C ATOM 1298 O ASN A 82 -3.331 -15.142 -14.883 1.00 52.03 O ATOM 1299 CB ASN A 82 -2.788 -15.717 -11.737 1.00 33.11 C ATOM 1300 CG ASN A 82 -2.863 -17.087 -12.389 1.00 2.32 C ATOM 1301 OD1 ASN A 82 -1.853 -17.782 -12.517 1.00 61.20 O ATOM 1302 ND2 ASN A 82 -4.058 -17.503 -12.776 1.00 52.25 N ATOM 0 H ASN A 82 -2.493 -13.352 -11.061 1.00 61.32 H new ATOM 0 HA ASN A 82 -1.439 -14.892 -13.184 1.00 44.20 H new ATOM 0 HB2 ASN A 82 -2.064 -15.744 -10.922 1.00 33.11 H new ATOM 0 HB3 ASN A 82 -3.755 -15.474 -11.297 1.00 33.11 H new ATOM 0 HD21 ASN A 82 -4.165 -18.426 -13.196 1.00 52.25 H new ATOM 0 HD22 ASN A 82 -4.872 -16.900 -12.654 1.00 52.25 H new ATOM 1309 N PHE A 83 -4.446 -13.659 -13.609 1.00 63.13 N ATOM 1310 CA PHE A 83 -5.445 -13.379 -14.636 1.00 4.12 C ATOM 1311 C PHE A 83 -4.835 -12.586 -15.792 1.00 63.22 C ATOM 1312 O PHE A 83 -5.230 -12.755 -16.947 1.00 41.42 O ATOM 1313 CB PHE A 83 -6.643 -12.630 -14.047 1.00 41.50 C ATOM 1314 CG PHE A 83 -7.607 -13.521 -13.315 1.00 2.44 C ATOM 1315 CD1 PHE A 83 -8.638 -14.149 -13.998 1.00 14.54 C ATOM 1316 CD2 PHE A 83 -7.484 -13.736 -11.953 1.00 25.13 C ATOM 1317 CE1 PHE A 83 -9.527 -14.972 -13.334 1.00 12.34 C ATOM 1318 CE2 PHE A 83 -8.372 -14.558 -11.284 1.00 24.31 C ATOM 1319 CZ PHE A 83 -9.393 -15.178 -11.976 1.00 54.50 C ATOM 0 H PHE A 83 -4.593 -13.165 -12.729 1.00 63.13 H new ATOM 0 HA PHE A 83 -5.797 -14.335 -15.025 1.00 4.12 H new ATOM 0 HB2 PHE A 83 -6.281 -11.862 -13.364 1.00 41.50 H new ATOM 0 HB3 PHE A 83 -7.172 -12.118 -14.851 1.00 41.50 H new ATOM 0 HD1 PHE A 83 -8.747 -13.993 -15.061 1.00 14.54 H new ATOM 0 HD2 PHE A 83 -6.685 -13.256 -11.407 1.00 25.13 H new ATOM 0 HE1 PHE A 83 -10.326 -15.454 -13.877 1.00 12.34 H new ATOM 0 HE2 PHE A 83 -8.267 -14.715 -10.221 1.00 24.31 H new ATOM 0 HZ PHE A 83 -10.086 -15.823 -11.456 1.00 54.50 H new ATOM 1329 N TYR A 84 -3.866 -11.731 -15.481 1.00 15.10 N ATOM 1330 CA TYR A 84 -3.149 -10.986 -16.507 1.00 43.02 C ATOM 1331 C TYR A 84 -2.163 -11.888 -17.244 1.00 34.04 C ATOM 1332 O TYR A 84 -2.435 -12.337 -18.357 1.00 21.53 O ATOM 1333 CB TYR A 84 -2.404 -9.787 -15.913 1.00 64.55 C ATOM 1334 CG TYR A 84 -3.267 -8.564 -15.703 1.00 2.04 C ATOM 1335 CD1 TYR A 84 -3.839 -7.905 -16.783 1.00 31.21 C ATOM 1336 CD2 TYR A 84 -3.493 -8.058 -14.430 1.00 13.42 C ATOM 1337 CE1 TYR A 84 -4.616 -6.777 -16.602 1.00 41.34 C ATOM 1338 CE2 TYR A 84 -4.271 -6.931 -14.241 1.00 63.42 C ATOM 1339 CZ TYR A 84 -4.829 -6.293 -15.330 1.00 40.03 C ATOM 1340 OH TYR A 84 -5.600 -5.167 -15.146 1.00 13.44 O ATOM 0 H TYR A 84 -3.560 -11.538 -14.527 1.00 15.10 H new ATOM 0 HA TYR A 84 -3.892 -10.615 -17.214 1.00 43.02 H new ATOM 0 HB2 TYR A 84 -1.970 -10.080 -14.957 1.00 64.55 H new ATOM 0 HB3 TYR A 84 -1.576 -9.525 -16.572 1.00 64.55 H new ATOM 0 HD1 TYR A 84 -3.674 -8.281 -17.782 1.00 31.21 H new ATOM 0 HD2 TYR A 84 -3.055 -8.552 -13.575 1.00 13.42 H new ATOM 0 HE1 TYR A 84 -5.054 -6.277 -17.453 1.00 41.34 H new ATOM 0 HE2 TYR A 84 -4.442 -6.551 -13.244 1.00 63.42 H new ATOM 0 HH TYR A 84 -5.652 -4.959 -14.190 1.00 13.44 H new ATOM 1350 N ASN A 85 -1.039 -12.186 -16.605 1.00 60.42 N ATOM 1351 CA ASN A 85 0.020 -12.961 -17.243 1.00 2.20 C ATOM 1352 C ASN A 85 0.907 -13.629 -16.200 1.00 24.21 C ATOM 1353 O ASN A 85 0.997 -13.178 -15.057 1.00 62.13 O ATOM 1354 CB ASN A 85 0.885 -12.072 -18.152 1.00 3.53 C ATOM 1355 CG ASN A 85 1.679 -11.032 -17.377 1.00 40.50 C ATOM 1356 OD1 ASN A 85 2.788 -11.301 -16.903 1.00 62.22 O ATOM 1357 ND2 ASN A 85 1.127 -9.835 -17.256 1.00 1.11 N ATOM 0 H ASN A 85 -0.836 -11.904 -15.646 1.00 60.42 H new ATOM 0 HA ASN A 85 -0.459 -13.729 -17.850 1.00 2.20 H new ATOM 0 HB2 ASN A 85 1.573 -12.700 -18.718 1.00 3.53 H new ATOM 0 HB3 ASN A 85 0.244 -11.568 -18.876 1.00 3.53 H new ATOM 0 HD21 ASN A 85 1.620 -9.094 -16.757 1.00 1.11 H new ATOM 0 HD22 ASN A 85 0.209 -9.653 -17.662 1.00 1.11 H new ATOM 1364 N LYS A 86 1.570 -14.698 -16.607 1.00 61.21 N ATOM 1365 CA LYS A 86 2.512 -15.397 -15.751 1.00 73.41 C ATOM 1366 C LYS A 86 3.930 -15.135 -16.259 1.00 23.13 C ATOM 1367 O LYS A 86 4.830 -15.967 -16.137 1.00 61.22 O ATOM 1368 CB LYS A 86 2.213 -16.897 -15.752 1.00 23.12 C ATOM 1369 CG LYS A 86 2.924 -17.660 -14.653 1.00 64.24 C ATOM 1370 CD LYS A 86 2.963 -19.147 -14.958 1.00 62.31 C ATOM 1371 CE LYS A 86 3.714 -19.415 -16.250 1.00 44.22 C ATOM 1372 NZ LYS A 86 3.721 -20.855 -16.605 1.00 41.13 N ATOM 0 H LYS A 86 1.471 -15.104 -17.537 1.00 61.21 H new ATOM 0 HA LYS A 86 2.420 -15.033 -14.728 1.00 73.41 H new ATOM 0 HB2 LYS A 86 1.138 -17.044 -15.648 1.00 23.12 H new ATOM 0 HB3 LYS A 86 2.500 -17.315 -16.717 1.00 23.12 H new ATOM 0 HG2 LYS A 86 3.940 -17.282 -14.542 1.00 64.24 H new ATOM 0 HG3 LYS A 86 2.416 -17.494 -13.703 1.00 64.24 H new ATOM 0 HD2 LYS A 86 3.443 -19.678 -14.136 1.00 62.31 H new ATOM 0 HD3 LYS A 86 1.947 -19.533 -15.036 1.00 62.31 H new ATOM 0 HE2 LYS A 86 3.257 -18.845 -17.059 1.00 44.22 H new ATOM 0 HE3 LYS A 86 4.740 -19.062 -16.152 1.00 44.22 H new ATOM 0 HZ1 LYS A 86 4.244 -20.991 -17.493 1.00 41.13 H new ATOM 0 HZ2 LYS A 86 4.180 -21.397 -15.846 1.00 41.13 H new ATOM 0 HZ3 LYS A 86 2.743 -21.188 -16.725 1.00 41.13 H new ATOM 1386 N ASP A 87 4.112 -13.968 -16.853 1.00 72.10 N ATOM 1387 CA ASP A 87 5.409 -13.572 -17.380 1.00 10.31 C ATOM 1388 C ASP A 87 6.160 -12.738 -16.352 1.00 31.55 C ATOM 1389 O ASP A 87 7.386 -12.814 -16.247 1.00 5.00 O ATOM 1390 CB ASP A 87 5.251 -12.807 -18.697 1.00 53.02 C ATOM 1391 CG ASP A 87 4.722 -13.692 -19.809 1.00 41.23 C ATOM 1392 OD1 ASP A 87 5.480 -14.560 -20.294 1.00 74.11 O ATOM 1393 OD2 ASP A 87 3.543 -13.538 -20.193 1.00 2.20 O ATOM 0 H ASP A 87 3.375 -13.275 -16.983 1.00 72.10 H new ATOM 0 HA ASP A 87 5.990 -14.471 -17.586 1.00 10.31 H new ATOM 0 HB2 ASP A 87 4.573 -11.967 -18.549 1.00 53.02 H new ATOM 0 HB3 ASP A 87 6.214 -12.391 -18.992 1.00 53.02 H new ATOM 1398 N MET A 88 5.420 -11.939 -15.591 1.00 52.10 N ATOM 1399 CA MET A 88 5.999 -11.247 -14.448 1.00 50.35 C ATOM 1400 C MET A 88 5.963 -12.172 -13.239 1.00 74.11 C ATOM 1401 O MET A 88 6.871 -12.171 -12.405 1.00 42.31 O ATOM 1402 CB MET A 88 5.252 -9.948 -14.136 1.00 70.42 C ATOM 1403 CG MET A 88 5.939 -9.113 -13.067 1.00 3.22 C ATOM 1404 SD MET A 88 4.911 -7.760 -12.467 1.00 61.44 S ATOM 1405 CE MET A 88 3.565 -8.685 -11.738 1.00 25.34 C ATOM 0 H MET A 88 4.428 -11.756 -15.743 1.00 52.10 H new ATOM 0 HA MET A 88 7.028 -10.982 -14.689 1.00 50.35 H new ATOM 0 HB2 MET A 88 5.162 -9.358 -15.048 1.00 70.42 H new ATOM 0 HB3 MET A 88 4.240 -10.186 -13.809 1.00 70.42 H new ATOM 0 HG2 MET A 88 6.210 -9.756 -12.229 1.00 3.22 H new ATOM 0 HG3 MET A 88 6.867 -8.707 -13.471 1.00 3.22 H new ATOM 0 HE1 MET A 88 3.022 -8.048 -11.040 1.00 25.34 H new ATOM 0 HE2 MET A 88 2.888 -9.022 -12.523 1.00 25.34 H new ATOM 0 HE3 MET A 88 3.963 -9.549 -11.206 1.00 25.34 H new ATOM 1415 N TYR A 89 4.898 -12.964 -13.148 1.00 63.25 N ATOM 1416 CA TYR A 89 4.817 -14.015 -12.160 1.00 52.23 C ATOM 1417 C TYR A 89 5.805 -15.103 -12.542 1.00 71.44 C ATOM 1418 O TYR A 89 6.180 -15.205 -13.711 1.00 72.13 O ATOM 1419 CB TYR A 89 3.393 -14.569 -12.103 1.00 62.23 C ATOM 1420 CG TYR A 89 3.116 -15.394 -10.874 1.00 62.20 C ATOM 1421 CD1 TYR A 89 3.009 -14.788 -9.638 1.00 13.31 C ATOM 1422 CD2 TYR A 89 2.964 -16.771 -10.952 1.00 12.14 C ATOM 1423 CE1 TYR A 89 2.756 -15.529 -8.500 1.00 71.34 C ATOM 1424 CE2 TYR A 89 2.710 -17.524 -9.822 1.00 23.33 C ATOM 1425 CZ TYR A 89 2.606 -16.898 -8.597 1.00 24.20 C ATOM 1426 OH TYR A 89 2.350 -17.643 -7.464 1.00 40.23 O ATOM 0 H TYR A 89 4.080 -12.890 -13.753 1.00 63.25 H new ATOM 0 HA TYR A 89 5.064 -13.628 -11.171 1.00 52.23 H new ATOM 0 HB2 TYR A 89 2.687 -13.739 -12.140 1.00 62.23 H new ATOM 0 HB3 TYR A 89 3.214 -15.179 -12.988 1.00 62.23 H new ATOM 0 HD1 TYR A 89 3.125 -13.717 -9.560 1.00 13.31 H new ATOM 0 HD2 TYR A 89 3.046 -17.262 -11.911 1.00 12.14 H new ATOM 0 HE1 TYR A 89 2.676 -15.040 -7.540 1.00 71.34 H new ATOM 0 HE2 TYR A 89 2.594 -18.595 -9.897 1.00 23.33 H new ATOM 0 HH TYR A 89 2.271 -18.589 -7.706 1.00 40.23 H new ATOM 1436 N ASN A 90 6.256 -15.879 -11.558 1.00 73.31 N ATOM 1437 CA ASN A 90 7.273 -16.913 -11.778 1.00 44.23 C ATOM 1438 C ASN A 90 8.654 -16.291 -11.997 1.00 51.02 C ATOM 1439 O ASN A 90 9.662 -16.993 -12.033 1.00 64.14 O ATOM 1440 CB ASN A 90 6.898 -17.828 -12.954 1.00 12.05 C ATOM 1441 CG ASN A 90 6.072 -19.027 -12.530 1.00 3.30 C ATOM 1442 OD1 ASN A 90 4.862 -18.934 -12.336 1.00 13.52 O ATOM 1443 ND2 ASN A 90 6.720 -20.172 -12.421 1.00 72.45 N ATOM 0 H ASN A 90 5.932 -15.812 -10.593 1.00 73.31 H new ATOM 0 HA ASN A 90 7.315 -17.525 -10.877 1.00 44.23 H new ATOM 0 HB2 ASN A 90 6.340 -17.252 -13.692 1.00 12.05 H new ATOM 0 HB3 ASN A 90 7.809 -18.175 -13.442 1.00 12.05 H new ATOM 0 HD21 ASN A 90 6.215 -21.021 -12.167 1.00 72.45 H new ATOM 0 HD22 ASN A 90 7.725 -20.207 -12.590 1.00 72.45 H new ATOM 1450 N GLN A 91 8.692 -14.972 -12.141 1.00 60.02 N ATOM 1451 CA GLN A 91 9.951 -14.249 -12.245 1.00 64.52 C ATOM 1452 C GLN A 91 10.335 -13.678 -10.884 1.00 23.20 C ATOM 1453 O GLN A 91 11.396 -13.994 -10.351 1.00 60.14 O ATOM 1454 CB GLN A 91 9.847 -13.127 -13.276 1.00 21.21 C ATOM 1455 CG GLN A 91 11.137 -12.341 -13.445 1.00 73.22 C ATOM 1456 CD GLN A 91 11.011 -11.212 -14.446 1.00 1.31 C ATOM 1457 OE1 GLN A 91 11.683 -10.187 -14.329 1.00 62.13 O ATOM 1458 NE2 GLN A 91 10.148 -11.385 -15.434 1.00 72.53 N ATOM 0 H GLN A 91 7.862 -14.381 -12.188 1.00 60.02 H new ATOM 0 HA GLN A 91 10.724 -14.944 -12.573 1.00 64.52 H new ATOM 0 HB2 GLN A 91 9.561 -13.553 -14.238 1.00 21.21 H new ATOM 0 HB3 GLN A 91 9.050 -12.444 -12.980 1.00 21.21 H new ATOM 0 HG2 GLN A 91 11.437 -11.933 -12.480 1.00 73.22 H new ATOM 0 HG3 GLN A 91 11.930 -13.017 -13.765 1.00 73.22 H new ATOM 0 HE21 GLN A 91 9.610 -12.249 -15.496 1.00 72.53 H new ATOM 0 HE22 GLN A 91 10.021 -10.654 -16.134 1.00 72.53 H new ATOM 1467 N LEU A 92 9.457 -12.838 -10.332 1.00 4.54 N ATOM 1468 CA LEU A 92 9.644 -12.303 -8.985 1.00 64.32 C ATOM 1469 C LEU A 92 9.831 -13.461 -8.015 1.00 13.03 C ATOM 1470 O LEU A 92 10.790 -13.511 -7.244 1.00 33.51 O ATOM 1471 CB LEU A 92 8.427 -11.468 -8.573 1.00 3.45 C ATOM 1472 CG LEU A 92 8.006 -10.385 -9.570 1.00 62.51 C ATOM 1473 CD1 LEU A 92 6.737 -9.697 -9.100 1.00 61.30 C ATOM 1474 CD2 LEU A 92 9.120 -9.368 -9.761 1.00 31.53 C ATOM 0 H LEU A 92 8.610 -12.514 -10.799 1.00 4.54 H new ATOM 0 HA LEU A 92 10.525 -11.662 -8.968 1.00 64.32 H new ATOM 0 HB2 LEU A 92 7.583 -12.140 -8.415 1.00 3.45 H new ATOM 0 HB3 LEU A 92 8.641 -10.993 -7.615 1.00 3.45 H new ATOM 0 HG LEU A 92 7.809 -10.862 -10.530 1.00 62.51 H new ATOM 0 HD11 LEU A 92 6.451 -8.930 -9.820 1.00 61.30 H new ATOM 0 HD12 LEU A 92 5.936 -10.431 -9.014 1.00 61.30 H new ATOM 0 HD13 LEU A 92 6.912 -9.236 -8.128 1.00 61.30 H new ATOM 0 HD21 LEU A 92 8.800 -8.607 -10.473 1.00 31.53 H new ATOM 0 HD22 LEU A 92 9.350 -8.897 -8.806 1.00 31.53 H new ATOM 0 HD23 LEU A 92 10.010 -9.870 -10.141 1.00 31.53 H new ATOM 1486 N GLU A 93 8.892 -14.386 -8.080 1.00 62.21 N ATOM 1487 CA GLU A 93 9.000 -15.657 -7.398 1.00 31.33 C ATOM 1488 C GLU A 93 8.226 -16.694 -8.192 1.00 43.03 C ATOM 1489 O GLU A 93 7.204 -16.378 -8.803 1.00 5.23 O ATOM 1490 CB GLU A 93 8.490 -15.574 -5.955 1.00 23.41 C ATOM 1491 CG GLU A 93 8.673 -16.870 -5.175 1.00 13.25 C ATOM 1492 CD GLU A 93 10.083 -17.422 -5.289 1.00 52.53 C ATOM 1493 OE1 GLU A 93 10.983 -16.913 -4.595 1.00 54.43 O ATOM 1494 OE2 GLU A 93 10.300 -18.357 -6.096 1.00 2.10 O ATOM 0 H GLU A 93 8.029 -14.274 -8.611 1.00 62.21 H new ATOM 0 HA GLU A 93 10.050 -15.943 -7.337 1.00 31.33 H new ATOM 0 HB2 GLU A 93 9.013 -14.770 -5.438 1.00 23.41 H new ATOM 0 HB3 GLU A 93 7.432 -15.311 -5.965 1.00 23.41 H new ATOM 0 HG2 GLU A 93 8.438 -16.695 -4.125 1.00 13.25 H new ATOM 0 HG3 GLU A 93 7.964 -17.613 -5.540 1.00 13.25 H new ATOM 1501 N HIS A 94 8.726 -17.913 -8.191 1.00 53.05 N ATOM 1502 CA HIS A 94 8.181 -18.974 -9.016 1.00 13.03 C ATOM 1503 C HIS A 94 7.063 -19.671 -8.259 1.00 54.20 C ATOM 1504 O HIS A 94 5.911 -19.246 -8.288 1.00 2.01 O ATOM 1505 CB HIS A 94 9.275 -19.994 -9.374 1.00 52.14 C ATOM 1506 CG HIS A 94 10.640 -19.397 -9.551 1.00 61.41 C ATOM 1507 ND1 HIS A 94 11.427 -18.998 -8.489 1.00 23.20 N ATOM 1508 CD2 HIS A 94 11.356 -19.124 -10.665 1.00 1.24 C ATOM 1509 CE1 HIS A 94 12.559 -18.502 -8.945 1.00 2.42 C ATOM 1510 NE2 HIS A 94 12.542 -18.566 -10.260 1.00 51.13 N ATOM 0 H HIS A 94 9.521 -18.197 -7.619 1.00 53.05 H new ATOM 0 HA HIS A 94 7.793 -18.542 -9.938 1.00 13.03 H new ATOM 0 HB2 HIS A 94 9.321 -20.751 -8.591 1.00 52.14 H new ATOM 0 HB3 HIS A 94 8.992 -20.505 -10.294 1.00 52.14 H new ATOM 0 HD1 HIS A 94 11.172 -19.075 -7.505 1.00 23.20 H new ATOM 0 HD2 HIS A 94 11.051 -19.311 -11.684 1.00 1.24 H new ATOM 0 HE1 HIS A 94 13.365 -18.109 -8.342 1.00 2.42 H new ATOM 1519 N HIS A 95 7.430 -20.730 -7.559 1.00 20.22 N ATOM 1520 CA HIS A 95 6.521 -21.455 -6.690 1.00 0.32 C ATOM 1521 C HIS A 95 7.329 -22.127 -5.593 1.00 14.31 C ATOM 1522 O HIS A 95 8.232 -22.913 -5.881 1.00 74.24 O ATOM 1523 CB HIS A 95 5.715 -22.508 -7.467 1.00 41.33 C ATOM 1524 CG HIS A 95 4.597 -21.944 -8.295 1.00 64.22 C ATOM 1525 ND1 HIS A 95 4.630 -21.888 -9.670 1.00 12.22 N ATOM 1526 CD2 HIS A 95 3.401 -21.419 -7.932 1.00 55.20 C ATOM 1527 CE1 HIS A 95 3.511 -21.354 -10.116 1.00 4.51 C ATOM 1528 NE2 HIS A 95 2.746 -21.062 -9.083 1.00 52.25 N ATOM 0 H HIS A 95 8.375 -21.114 -7.578 1.00 20.22 H new ATOM 0 HA HIS A 95 5.809 -20.750 -6.261 1.00 0.32 H new ATOM 0 HB2 HIS A 95 6.393 -23.058 -8.120 1.00 41.33 H new ATOM 0 HB3 HIS A 95 5.301 -23.226 -6.759 1.00 41.33 H new ATOM 0 HD2 HIS A 95 3.032 -21.303 -6.923 1.00 55.20 H new ATOM 0 HE1 HIS A 95 3.262 -21.184 -11.153 1.00 4.51 H new ATOM 0 HE2 HIS A 95 1.819 -20.640 -9.132 1.00 52.25 H new ATOM 1537 N HIS A 96 7.028 -21.789 -4.346 1.00 21.42 N ATOM 1538 CA HIS A 96 7.726 -22.369 -3.200 1.00 74.13 C ATOM 1539 C HIS A 96 7.551 -23.885 -3.174 1.00 22.42 C ATOM 1540 O HIS A 96 6.679 -24.426 -3.857 1.00 21.14 O ATOM 1541 CB HIS A 96 7.224 -21.758 -1.882 1.00 24.11 C ATOM 1542 CG HIS A 96 5.755 -21.942 -1.634 1.00 63.22 C ATOM 1543 ND1 HIS A 96 5.233 -23.006 -0.933 1.00 63.14 N ATOM 1544 CD2 HIS A 96 4.699 -21.178 -1.992 1.00 43.11 C ATOM 1545 CE1 HIS A 96 3.920 -22.885 -0.873 1.00 61.31 C ATOM 1546 NE2 HIS A 96 3.569 -21.783 -1.509 1.00 41.22 N ATOM 0 H HIS A 96 6.304 -21.115 -4.099 1.00 21.42 H new ATOM 0 HA HIS A 96 8.786 -22.139 -3.305 1.00 74.13 H new ATOM 0 HB2 HIS A 96 7.778 -22.202 -1.055 1.00 24.11 H new ATOM 0 HB3 HIS A 96 7.450 -20.692 -1.881 1.00 24.11 H new ATOM 0 HD1 HIS A 96 5.775 -23.767 -0.525 1.00 63.14 H new ATOM 0 HD2 HIS A 96 4.739 -20.258 -2.556 1.00 43.11 H new ATOM 0 HE1 HIS A 96 3.245 -23.573 -0.385 1.00 61.31 H new ATOM 1555 N HIS A 97 8.375 -24.559 -2.382 1.00 2.12 N ATOM 1556 CA HIS A 97 8.325 -26.012 -2.285 1.00 50.45 C ATOM 1557 C HIS A 97 6.932 -26.461 -1.872 1.00 12.42 C ATOM 1558 O HIS A 97 6.330 -25.898 -0.956 1.00 64.41 O ATOM 1559 CB HIS A 97 9.365 -26.529 -1.287 1.00 22.30 C ATOM 1560 CG HIS A 97 9.580 -28.013 -1.357 1.00 55.54 C ATOM 1561 ND1 HIS A 97 10.444 -28.600 -2.255 1.00 35.45 N ATOM 1562 CD2 HIS A 97 9.041 -29.031 -0.641 1.00 33.52 C ATOM 1563 CE1 HIS A 97 10.428 -29.908 -2.092 1.00 1.23 C ATOM 1564 NE2 HIS A 97 9.586 -30.198 -1.119 1.00 64.31 N ATOM 0 H HIS A 97 9.087 -24.122 -1.797 1.00 2.12 H new ATOM 0 HA HIS A 97 8.557 -26.429 -3.265 1.00 50.45 H new ATOM 0 HB2 HIS A 97 10.314 -26.024 -1.469 1.00 22.30 H new ATOM 0 HB3 HIS A 97 9.051 -26.263 -0.278 1.00 22.30 H new ATOM 0 HD2 HIS A 97 8.318 -28.941 0.156 1.00 33.52 H new ATOM 0 HE1 HIS A 97 11.007 -30.622 -2.659 1.00 1.23 H new ATOM 0 HE2 HIS A 97 9.374 -31.135 -0.777 1.00 64.31 H new ATOM 1573 N HIS A 98 6.428 -27.459 -2.572 1.00 1.24 N ATOM 1574 CA HIS A 98 5.080 -27.959 -2.352 1.00 74.33 C ATOM 1575 C HIS A 98 5.080 -29.474 -2.301 1.00 70.04 C ATOM 1576 O HIS A 98 5.843 -30.119 -3.022 1.00 51.01 O ATOM 1577 CB HIS A 98 4.137 -27.457 -3.456 1.00 4.20 C ATOM 1578 CG HIS A 98 4.756 -27.428 -4.825 1.00 74.54 C ATOM 1579 ND1 HIS A 98 5.293 -26.286 -5.374 1.00 62.52 N ATOM 1580 CD2 HIS A 98 4.934 -28.403 -5.746 1.00 70.11 C ATOM 1581 CE1 HIS A 98 5.772 -26.559 -6.570 1.00 5.24 C ATOM 1582 NE2 HIS A 98 5.571 -27.839 -6.824 1.00 62.24 N ATOM 0 H HIS A 98 6.938 -27.947 -3.308 1.00 1.24 H new ATOM 0 HA HIS A 98 4.721 -27.582 -1.394 1.00 74.33 H new ATOM 0 HB2 HIS A 98 3.253 -28.095 -3.482 1.00 4.20 H new ATOM 0 HB3 HIS A 98 3.798 -26.453 -3.201 1.00 4.20 H new ATOM 0 HD1 HIS A 98 5.316 -25.371 -4.925 1.00 62.52 H new ATOM 0 HD2 HIS A 98 4.631 -29.435 -5.651 1.00 70.11 H new ATOM 0 HE1 HIS A 98 6.250 -25.853 -7.233 1.00 5.24 H new ATOM 1591 N HIS A 99 4.240 -30.024 -1.428 1.00 75.12 N ATOM 1592 CA HIS A 99 4.107 -31.471 -1.252 1.00 2.42 C ATOM 1593 C HIS A 99 5.366 -32.066 -0.622 1.00 0.32 C ATOM 1594 O HIS A 99 6.392 -32.235 -1.281 1.00 23.31 O ATOM 1595 CB HIS A 99 3.793 -32.164 -2.589 1.00 23.31 C ATOM 1596 CG HIS A 99 3.508 -33.631 -2.460 1.00 45.24 C ATOM 1597 ND1 HIS A 99 4.426 -34.611 -2.769 1.00 40.43 N ATOM 1598 CD2 HIS A 99 2.393 -34.282 -2.056 1.00 31.33 C ATOM 1599 CE1 HIS A 99 3.888 -35.798 -2.561 1.00 12.43 C ATOM 1600 NE2 HIS A 99 2.656 -35.625 -2.127 1.00 65.33 N ATOM 0 H HIS A 99 3.629 -29.478 -0.820 1.00 75.12 H new ATOM 0 HA HIS A 99 3.272 -31.646 -0.574 1.00 2.42 H new ATOM 0 HB2 HIS A 99 2.933 -31.676 -3.047 1.00 23.31 H new ATOM 0 HB3 HIS A 99 4.636 -32.026 -3.266 1.00 23.31 H new ATOM 0 HD2 HIS A 99 1.467 -33.827 -1.737 1.00 31.33 H new ATOM 0 HE1 HIS A 99 4.375 -36.749 -2.719 1.00 12.43 H new ATOM 0 HE2 HIS A 99 2.004 -36.370 -1.883 1.00 65.33 H new TER 1609 HIS A 99