USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=21 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 86 LYS NZ :NH3+ 145:sc= 2.2 (180deg=0.239) USER MOD Set 1.2: A 90 ASN : amide:sc= -1.88! C(o=0.32!,f=-14!) USER MOD Set 2.1: A 72 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.5) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 173:sc= 0.00158 (180deg=0) USER MOD Set 3.1: A 18 ASN : amide:sc= 0.822 K(o=0.64,f=-1.3) USER MOD Set 3.2: A 21 GLN : amide:sc= -0.182 X(o=0.64,f=0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.569 (180deg=-0.586) USER MOD Single : A 3 GLN : amide:sc= -0.617 X(o=-0.62,f=-0.25) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 1.06 (180deg=0.751) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 13 GLN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 29 THR OG1 : rot -50:sc= 1.23 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 -170:sc= -0.0676 (180deg=-0.247) USER MOD Single : A 43 ASN : amide:sc= 0.763 K(o=0.76,f=-5.1!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.0258 (180deg=-0.217) USER MOD Single : A 52 GLN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= -0.0266 (180deg=-0.17) USER MOD Single : A 56 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.24) USER MOD Single : A 57 ASN : amide:sc= 1.27 K(o=1.3,f=-0.6) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.537 K(o=0.54,f=-0.044) USER MOD Single : A 60 SER OG : rot 68:sc= 1.19 USER MOD Single : A 65 ASN : amide:sc= 1.39 K(o=1.4,f=-4.5!) USER MOD Single : A 68 SER OG : rot 84:sc=-0.00868 USER MOD Single : A 76 MET CE :methyl -116:sc= -0.21 (180deg=-1.4) USER MOD Single : A 78 MET CE :methyl -141:sc= -0.376 (180deg=-2.86!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 1.03 K(o=1,f=-8.6!) USER MOD Single : A 88 MET CE :methyl -136:sc= -2.5 (180deg=-5.8!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.013) USER MOD Single : A 94 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.543 K(o=0.54,f=-3!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0373 X(o=-0.037,f=-0.003) USER MOD Single : A 99 HIS : no HD1:sc= -0.0046 X(o=-0.0046,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.469 12.133 15.455 1.00 11.32 N ATOM 2 CA MET A 1 -5.066 12.416 15.062 1.00 43.31 C ATOM 3 C MET A 1 -4.647 11.490 13.926 1.00 50.31 C ATOM 4 O MET A 1 -3.466 11.177 13.763 1.00 73.22 O ATOM 5 CB MET A 1 -4.133 12.217 16.261 1.00 64.44 C ATOM 6 CG MET A 1 -4.444 13.118 17.443 1.00 34.00 C ATOM 7 SD MET A 1 -3.396 12.766 18.867 1.00 43.31 S ATOM 8 CE MET A 1 -4.050 13.931 20.061 1.00 64.13 C ATOM 0 H1 MET A 1 -6.758 12.791 16.207 1.00 11.32 H new ATOM 0 H2 MET A 1 -7.091 12.254 14.631 1.00 11.32 H new ATOM 0 H3 MET A 1 -6.542 11.156 15.803 1.00 11.32 H new ATOM 0 HA MET A 1 -4.997 13.450 14.725 1.00 43.31 H new ATOM 0 HB2 MET A 1 -4.191 11.178 16.585 1.00 64.44 H new ATOM 0 HB3 MET A 1 -3.106 12.395 15.942 1.00 64.44 H new ATOM 0 HG2 MET A 1 -4.314 14.159 17.147 1.00 34.00 H new ATOM 0 HG3 MET A 1 -5.490 12.995 17.725 1.00 34.00 H new ATOM 0 HE1 MET A 1 -3.503 13.836 20.999 1.00 64.13 H new ATOM 0 HE2 MET A 1 -3.940 14.945 19.678 1.00 64.13 H new ATOM 0 HE3 MET A 1 -5.106 13.721 20.233 1.00 64.13 H new ATOM 20 N ASP A 2 -5.619 11.069 13.126 1.00 73.24 N ATOM 21 CA ASP A 2 -5.374 10.095 12.073 1.00 11.31 C ATOM 22 C ASP A 2 -4.917 10.774 10.791 1.00 63.31 C ATOM 23 O ASP A 2 -5.737 11.107 9.929 1.00 22.14 O ATOM 24 CB ASP A 2 -6.631 9.266 11.785 1.00 71.41 C ATOM 25 CG ASP A 2 -7.111 8.481 12.986 1.00 55.24 C ATOM 26 OD1 ASP A 2 -7.832 9.057 13.827 1.00 70.21 O ATOM 27 OD2 ASP A 2 -6.789 7.279 13.085 1.00 5.13 O ATOM 0 H ASP A 2 -6.586 11.388 13.188 1.00 73.24 H new ATOM 0 HA ASP A 2 -4.583 9.434 12.426 1.00 11.31 H new ATOM 0 HB2 ASP A 2 -7.428 9.930 11.450 1.00 71.41 H new ATOM 0 HB3 ASP A 2 -6.425 8.577 10.966 1.00 71.41 H new ATOM 32 N GLN A 3 -3.613 10.988 10.670 1.00 72.13 N ATOM 33 CA GLN A 3 -3.031 11.498 9.432 1.00 13.30 C ATOM 34 C GLN A 3 -3.332 10.508 8.305 1.00 44.33 C ATOM 35 O GLN A 3 -3.591 10.893 7.166 1.00 11.44 O ATOM 36 CB GLN A 3 -1.517 11.682 9.605 1.00 20.44 C ATOM 37 CG GLN A 3 -0.914 12.851 8.828 1.00 62.33 C ATOM 38 CD GLN A 3 -1.007 12.703 7.319 1.00 52.40 C ATOM 39 OE1 GLN A 3 -1.948 13.185 6.690 1.00 53.12 O ATOM 40 NE2 GLN A 3 -0.031 12.033 6.731 1.00 23.42 N ATOM 0 H GLN A 3 -2.937 10.817 11.414 1.00 72.13 H new ATOM 0 HA GLN A 3 -3.463 12.467 9.184 1.00 13.30 H new ATOM 0 HB2 GLN A 3 -1.302 11.821 10.665 1.00 20.44 H new ATOM 0 HB3 GLN A 3 -1.017 10.764 9.296 1.00 20.44 H new ATOM 0 HG2 GLN A 3 -1.419 13.770 9.125 1.00 62.33 H new ATOM 0 HG3 GLN A 3 0.134 12.958 9.108 1.00 62.33 H new ATOM 0 HE21 GLN A 3 0.732 11.649 7.289 1.00 23.42 H new ATOM 0 HE22 GLN A 3 -0.041 11.900 5.720 1.00 23.42 H new ATOM 49 N LEU A 4 -3.328 9.225 8.659 1.00 5.54 N ATOM 50 CA LEU A 4 -3.673 8.154 7.730 1.00 43.01 C ATOM 51 C LEU A 4 -5.057 8.367 7.130 1.00 33.24 C ATOM 52 O LEU A 4 -5.264 8.115 5.946 1.00 34.43 O ATOM 53 CB LEU A 4 -3.627 6.800 8.440 1.00 54.05 C ATOM 54 CG LEU A 4 -2.235 6.333 8.863 1.00 42.32 C ATOM 55 CD1 LEU A 4 -2.335 5.070 9.703 1.00 74.43 C ATOM 56 CD2 LEU A 4 -1.368 6.089 7.637 1.00 20.34 C ATOM 0 H LEU A 4 -3.086 8.900 9.595 1.00 5.54 H new ATOM 0 HA LEU A 4 -2.940 8.167 6.923 1.00 43.01 H new ATOM 0 HB2 LEU A 4 -4.260 6.851 9.326 1.00 54.05 H new ATOM 0 HB3 LEU A 4 -4.060 6.048 7.781 1.00 54.05 H new ATOM 0 HG LEU A 4 -1.772 7.114 9.467 1.00 42.32 H new ATOM 0 HD11 LEU A 4 -1.336 4.749 9.997 1.00 74.43 H new ATOM 0 HD12 LEU A 4 -2.928 5.272 10.595 1.00 74.43 H new ATOM 0 HD13 LEU A 4 -2.812 4.282 9.120 1.00 74.43 H new ATOM 0 HD21 LEU A 4 -0.379 5.757 7.951 1.00 20.34 H new ATOM 0 HD22 LEU A 4 -1.827 5.322 7.013 1.00 20.34 H new ATOM 0 HD23 LEU A 4 -1.276 7.013 7.067 1.00 20.34 H new ATOM 68 N LYS A 5 -5.999 8.841 7.944 1.00 25.05 N ATOM 69 CA LYS A 5 -7.358 9.054 7.475 1.00 30.22 C ATOM 70 C LYS A 5 -7.387 10.141 6.407 1.00 31.53 C ATOM 71 O LYS A 5 -8.081 10.009 5.407 1.00 72.20 O ATOM 72 CB LYS A 5 -8.285 9.422 8.630 1.00 41.23 C ATOM 73 CG LYS A 5 -9.744 9.476 8.220 1.00 64.11 C ATOM 74 CD LYS A 5 -10.644 9.855 9.378 1.00 24.23 C ATOM 75 CE LYS A 5 -12.103 9.820 8.965 1.00 44.43 C ATOM 76 NZ LYS A 5 -12.388 10.736 7.827 1.00 74.11 N ATOM 0 H LYS A 5 -5.844 9.082 8.923 1.00 25.05 H new ATOM 0 HA LYS A 5 -7.714 8.121 7.038 1.00 30.22 H new ATOM 0 HB2 LYS A 5 -8.165 8.694 9.432 1.00 41.23 H new ATOM 0 HB3 LYS A 5 -7.989 10.391 9.032 1.00 41.23 H new ATOM 0 HG2 LYS A 5 -9.868 10.198 7.413 1.00 64.11 H new ATOM 0 HG3 LYS A 5 -10.047 8.505 7.828 1.00 64.11 H new ATOM 0 HD2 LYS A 5 -10.481 9.170 10.210 1.00 24.23 H new ATOM 0 HD3 LYS A 5 -10.386 10.853 9.732 1.00 24.23 H new ATOM 0 HE2 LYS A 5 -12.376 8.802 8.687 1.00 44.43 H new ATOM 0 HE3 LYS A 5 -12.726 10.096 9.816 1.00 44.43 H new ATOM 0 HZ1 LYS A 5 -13.416 10.862 7.732 1.00 74.11 H new ATOM 0 HZ2 LYS A 5 -11.941 11.658 8.003 1.00 74.11 H new ATOM 0 HZ3 LYS A 5 -12.006 10.329 6.949 1.00 74.11 H new ATOM 90 N THR A 6 -6.614 11.204 6.619 1.00 53.34 N ATOM 91 CA THR A 6 -6.482 12.266 5.630 1.00 2.42 C ATOM 92 C THR A 6 -5.992 11.692 4.298 1.00 70.31 C ATOM 93 O THR A 6 -6.477 12.059 3.224 1.00 65.44 O ATOM 94 CB THR A 6 -5.502 13.351 6.122 1.00 32.41 C ATOM 95 OG1 THR A 6 -6.008 13.970 7.314 1.00 61.13 O ATOM 96 CG2 THR A 6 -5.268 14.411 5.056 1.00 74.10 C ATOM 0 H THR A 6 -6.070 11.351 7.469 1.00 53.34 H new ATOM 0 HA THR A 6 -7.462 12.720 5.485 1.00 2.42 H new ATOM 0 HB THR A 6 -4.550 12.866 6.338 1.00 32.41 H new ATOM 0 HG1 THR A 6 -5.378 14.656 7.619 1.00 61.13 H new ATOM 0 HG21 THR A 6 -4.573 15.160 5.435 1.00 74.10 H new ATOM 0 HG22 THR A 6 -4.848 13.944 4.165 1.00 74.10 H new ATOM 0 HG23 THR A 6 -6.215 14.889 4.804 1.00 74.10 H new ATOM 104 N ILE A 7 -5.049 10.770 4.389 1.00 24.32 N ATOM 105 CA ILE A 7 -4.512 10.096 3.220 1.00 25.30 C ATOM 106 C ILE A 7 -5.584 9.230 2.564 1.00 70.33 C ATOM 107 O ILE A 7 -5.713 9.206 1.340 1.00 61.25 O ATOM 108 CB ILE A 7 -3.302 9.227 3.604 1.00 4.21 C ATOM 109 CG1 ILE A 7 -2.226 10.100 4.256 1.00 73.25 C ATOM 110 CG2 ILE A 7 -2.752 8.512 2.381 1.00 35.24 C ATOM 111 CD1 ILE A 7 -1.113 9.313 4.910 1.00 1.24 C ATOM 0 H ILE A 7 -4.636 10.469 5.271 1.00 24.32 H new ATOM 0 HA ILE A 7 -4.187 10.856 2.509 1.00 25.30 H new ATOM 0 HB ILE A 7 -3.619 8.469 4.321 1.00 4.21 H new ATOM 0 HG12 ILE A 7 -1.797 10.757 3.499 1.00 73.25 H new ATOM 0 HG13 ILE A 7 -2.695 10.739 5.005 1.00 73.25 H new ATOM 0 HG21 ILE A 7 -1.896 7.902 2.670 1.00 35.24 H new ATOM 0 HG22 ILE A 7 -3.526 7.873 1.954 1.00 35.24 H new ATOM 0 HG23 ILE A 7 -2.439 9.247 1.640 1.00 35.24 H new ATOM 0 HD11 ILE A 7 -0.390 10.001 5.349 1.00 1.24 H new ATOM 0 HD12 ILE A 7 -1.528 8.676 5.691 1.00 1.24 H new ATOM 0 HD13 ILE A 7 -0.617 8.694 4.162 1.00 1.24 H new ATOM 123 N LYS A 8 -6.359 8.531 3.390 1.00 1.42 N ATOM 124 CA LYS A 8 -7.466 7.715 2.902 1.00 62.14 C ATOM 125 C LYS A 8 -8.461 8.580 2.137 1.00 52.15 C ATOM 126 O LYS A 8 -8.943 8.186 1.075 1.00 35.43 O ATOM 127 CB LYS A 8 -8.171 7.006 4.062 1.00 73.42 C ATOM 128 CG LYS A 8 -7.272 6.067 4.849 1.00 42.02 C ATOM 129 CD LYS A 8 -8.017 5.431 6.011 1.00 74.32 C ATOM 130 CE LYS A 8 -7.100 4.559 6.855 1.00 53.43 C ATOM 131 NZ LYS A 8 -7.820 3.935 7.999 1.00 40.23 N ATOM 0 H LYS A 8 -6.240 8.514 4.403 1.00 1.42 H new ATOM 0 HA LYS A 8 -7.062 6.958 2.229 1.00 62.14 H new ATOM 0 HB2 LYS A 8 -8.578 7.756 4.740 1.00 73.42 H new ATOM 0 HB3 LYS A 8 -9.016 6.440 3.669 1.00 73.42 H new ATOM 0 HG2 LYS A 8 -6.891 5.288 4.189 1.00 42.02 H new ATOM 0 HG3 LYS A 8 -6.409 6.617 5.225 1.00 42.02 H new ATOM 0 HD2 LYS A 8 -8.453 6.211 6.635 1.00 74.32 H new ATOM 0 HD3 LYS A 8 -8.842 4.829 5.629 1.00 74.32 H new ATOM 0 HE2 LYS A 8 -6.667 3.778 6.230 1.00 53.43 H new ATOM 0 HE3 LYS A 8 -6.273 5.161 7.232 1.00 53.43 H new ATOM 0 HZ1 LYS A 8 -7.158 3.349 8.548 1.00 40.23 H new ATOM 0 HZ2 LYS A 8 -8.212 4.680 8.610 1.00 40.23 H new ATOM 0 HZ3 LYS A 8 -8.593 3.339 7.639 1.00 40.23 H new ATOM 145 N GLU A 9 -8.741 9.768 2.673 1.00 71.52 N ATOM 146 CA GLU A 9 -9.628 10.726 2.016 1.00 62.14 C ATOM 147 C GLU A 9 -9.135 11.009 0.599 1.00 35.31 C ATOM 148 O GLU A 9 -9.908 11.020 -0.357 1.00 10.34 O ATOM 149 CB GLU A 9 -9.680 12.047 2.797 1.00 0.15 C ATOM 150 CG GLU A 9 -10.105 11.916 4.255 1.00 55.32 C ATOM 151 CD GLU A 9 -11.528 11.425 4.429 1.00 21.44 C ATOM 152 OE1 GLU A 9 -12.451 12.038 3.848 1.00 54.10 O ATOM 153 OE2 GLU A 9 -11.734 10.432 5.156 1.00 2.21 O ATOM 0 H GLU A 9 -8.364 10.090 3.564 1.00 71.52 H new ATOM 0 HA GLU A 9 -10.627 10.291 1.982 1.00 62.14 H new ATOM 0 HB2 GLU A 9 -8.695 12.512 2.762 1.00 0.15 H new ATOM 0 HB3 GLU A 9 -10.370 12.723 2.292 1.00 0.15 H new ATOM 0 HG2 GLU A 9 -9.428 11.229 4.762 1.00 55.32 H new ATOM 0 HG3 GLU A 9 -10.001 12.885 4.744 1.00 55.32 H new ATOM 160 N LEU A 10 -7.831 11.237 0.480 1.00 44.01 N ATOM 161 CA LEU A 10 -7.205 11.526 -0.806 1.00 3.12 C ATOM 162 C LEU A 10 -7.338 10.341 -1.755 1.00 33.21 C ATOM 163 O LEU A 10 -7.685 10.507 -2.924 1.00 33.13 O ATOM 164 CB LEU A 10 -5.729 11.865 -0.601 1.00 24.45 C ATOM 165 CG LEU A 10 -5.464 13.062 0.311 1.00 61.55 C ATOM 166 CD1 LEU A 10 -3.979 13.189 0.606 1.00 42.40 C ATOM 167 CD2 LEU A 10 -5.996 14.338 -0.319 1.00 22.15 C ATOM 0 H LEU A 10 -7.182 11.227 1.267 1.00 44.01 H new ATOM 0 HA LEU A 10 -7.715 12.381 -1.251 1.00 3.12 H new ATOM 0 HB2 LEU A 10 -5.225 10.992 -0.186 1.00 24.45 H new ATOM 0 HB3 LEU A 10 -5.278 12.061 -1.574 1.00 24.45 H new ATOM 0 HG LEU A 10 -5.987 12.900 1.253 1.00 61.55 H new ATOM 0 HD11 LEU A 10 -3.809 14.047 1.257 1.00 42.40 H new ATOM 0 HD12 LEU A 10 -3.627 12.283 1.100 1.00 42.40 H new ATOM 0 HD13 LEU A 10 -3.433 13.328 -0.327 1.00 42.40 H new ATOM 0 HD21 LEU A 10 -5.799 15.181 0.344 1.00 22.15 H new ATOM 0 HD22 LEU A 10 -5.501 14.505 -1.276 1.00 22.15 H new ATOM 0 HD23 LEU A 10 -7.070 14.245 -0.478 1.00 22.15 H new ATOM 179 N ILE A 11 -7.075 9.147 -1.237 1.00 41.40 N ATOM 180 CA ILE A 11 -7.180 7.922 -2.026 1.00 22.00 C ATOM 181 C ILE A 11 -8.613 7.713 -2.514 1.00 53.14 C ATOM 182 O ILE A 11 -8.833 7.306 -3.654 1.00 72.42 O ATOM 183 CB ILE A 11 -6.709 6.692 -1.212 1.00 64.42 C ATOM 184 CG1 ILE A 11 -5.228 6.844 -0.863 1.00 11.24 C ATOM 185 CG2 ILE A 11 -6.945 5.397 -1.983 1.00 11.05 C ATOM 186 CD1 ILE A 11 -4.702 5.777 0.073 1.00 1.21 C ATOM 0 H ILE A 11 -6.786 8.999 -0.270 1.00 41.40 H new ATOM 0 HA ILE A 11 -6.528 8.030 -2.893 1.00 22.00 H new ATOM 0 HB ILE A 11 -7.292 6.641 -0.293 1.00 64.42 H new ATOM 0 HG12 ILE A 11 -4.645 6.824 -1.784 1.00 11.24 H new ATOM 0 HG13 ILE A 11 -5.071 7.822 -0.407 1.00 11.24 H new ATOM 0 HG21 ILE A 11 -6.604 4.551 -1.386 1.00 11.05 H new ATOM 0 HG22 ILE A 11 -8.009 5.288 -2.194 1.00 11.05 H new ATOM 0 HG23 ILE A 11 -6.391 5.426 -2.921 1.00 11.05 H new ATOM 0 HD11 ILE A 11 -3.645 5.956 0.271 1.00 1.21 H new ATOM 0 HD12 ILE A 11 -5.257 5.809 1.010 1.00 1.21 H new ATOM 0 HD13 ILE A 11 -4.824 4.797 -0.388 1.00 1.21 H new ATOM 198 N ASN A 12 -9.581 8.018 -1.651 1.00 4.22 N ATOM 199 CA ASN A 12 -10.995 7.910 -2.009 1.00 54.30 C ATOM 200 C ASN A 12 -11.348 8.906 -3.108 1.00 33.44 C ATOM 201 O ASN A 12 -12.064 8.574 -4.053 1.00 1.41 O ATOM 202 CB ASN A 12 -11.895 8.147 -0.789 1.00 73.00 C ATOM 203 CG ASN A 12 -11.763 7.062 0.263 1.00 54.53 C ATOM 204 OD1 ASN A 12 -11.465 5.908 -0.050 1.00 64.21 O ATOM 205 ND2 ASN A 12 -11.995 7.422 1.518 1.00 73.00 N ATOM 0 H ASN A 12 -9.412 8.342 -0.699 1.00 4.22 H new ATOM 0 HA ASN A 12 -11.166 6.898 -2.375 1.00 54.30 H new ATOM 0 HB2 ASN A 12 -11.647 9.110 -0.343 1.00 73.00 H new ATOM 0 HB3 ASN A 12 -12.933 8.205 -1.116 1.00 73.00 H new ATOM 0 HD21 ASN A 12 -11.929 6.733 2.267 1.00 73.00 H new ATOM 0 HD22 ASN A 12 -12.239 8.388 1.735 1.00 73.00 H new ATOM 212 N GLN A 13 -10.839 10.127 -2.974 1.00 55.32 N ATOM 213 CA GLN A 13 -11.063 11.173 -3.970 1.00 73.04 C ATOM 214 C GLN A 13 -10.444 10.797 -5.309 1.00 60.22 C ATOM 215 O GLN A 13 -11.029 11.033 -6.367 1.00 55.01 O ATOM 216 CB GLN A 13 -10.467 12.500 -3.494 1.00 5.51 C ATOM 217 CG GLN A 13 -11.224 13.135 -2.342 1.00 12.50 C ATOM 218 CD GLN A 13 -10.482 14.312 -1.745 1.00 13.52 C ATOM 219 OE1 GLN A 13 -10.641 15.453 -2.179 1.00 62.14 O ATOM 220 NE2 GLN A 13 -9.664 14.039 -0.743 1.00 35.00 N ATOM 0 H GLN A 13 -10.266 10.419 -2.182 1.00 55.32 H new ATOM 0 HA GLN A 13 -12.140 11.282 -4.098 1.00 73.04 H new ATOM 0 HB2 GLN A 13 -9.433 12.335 -3.190 1.00 5.51 H new ATOM 0 HB3 GLN A 13 -10.445 13.198 -4.331 1.00 5.51 H new ATOM 0 HG2 GLN A 13 -12.202 13.465 -2.691 1.00 12.50 H new ATOM 0 HG3 GLN A 13 -11.397 12.387 -1.568 1.00 12.50 H new ATOM 0 HE21 GLN A 13 -9.562 13.079 -0.415 1.00 35.00 H new ATOM 0 HE22 GLN A 13 -9.135 14.789 -0.298 1.00 35.00 H new ATOM 229 N GLY A 14 -9.262 10.211 -5.255 1.00 75.44 N ATOM 230 CA GLY A 14 -8.549 9.869 -6.465 1.00 3.34 C ATOM 231 C GLY A 14 -7.222 10.587 -6.554 1.00 64.13 C ATOM 232 O GLY A 14 -6.480 10.429 -7.525 1.00 33.51 O ATOM 0 H GLY A 14 -8.780 9.964 -4.390 1.00 75.44 H new ATOM 0 HA2 GLY A 14 -8.383 8.792 -6.498 1.00 3.34 H new ATOM 0 HA3 GLY A 14 -9.159 10.124 -7.331 1.00 3.34 H new ATOM 236 N ASP A 15 -6.918 11.373 -5.530 1.00 12.41 N ATOM 237 CA ASP A 15 -5.656 12.093 -5.468 1.00 70.43 C ATOM 238 C ASP A 15 -4.597 11.205 -4.833 1.00 13.21 C ATOM 239 O ASP A 15 -4.188 11.406 -3.687 1.00 31.01 O ATOM 240 CB ASP A 15 -5.810 13.388 -4.671 1.00 30.34 C ATOM 241 CG ASP A 15 -4.694 14.379 -4.942 1.00 43.41 C ATOM 242 OD1 ASP A 15 -3.581 13.956 -5.329 1.00 55.22 O ATOM 243 OD2 ASP A 15 -4.936 15.596 -4.789 1.00 52.22 O ATOM 0 H ASP A 15 -7.531 11.528 -4.729 1.00 12.41 H new ATOM 0 HA ASP A 15 -5.348 12.355 -6.480 1.00 70.43 H new ATOM 0 HB2 ASP A 15 -6.767 13.849 -4.916 1.00 30.34 H new ATOM 0 HB3 ASP A 15 -5.832 13.154 -3.607 1.00 30.34 H new ATOM 248 N ILE A 16 -4.196 10.189 -5.580 1.00 30.15 N ATOM 249 CA ILE A 16 -3.232 9.211 -5.113 1.00 74.42 C ATOM 250 C ILE A 16 -1.850 9.834 -4.947 1.00 0.03 C ATOM 251 O ILE A 16 -1.113 9.476 -4.034 1.00 72.34 O ATOM 252 CB ILE A 16 -3.173 7.999 -6.078 1.00 51.42 C ATOM 253 CG1 ILE A 16 -4.272 6.984 -5.743 1.00 3.24 C ATOM 254 CG2 ILE A 16 -1.811 7.321 -6.042 1.00 43.54 C ATOM 255 CD1 ILE A 16 -5.684 7.525 -5.803 1.00 44.41 C ATOM 0 H ILE A 16 -4.531 10.021 -6.528 1.00 30.15 H new ATOM 0 HA ILE A 16 -3.559 8.859 -4.135 1.00 74.42 H new ATOM 0 HB ILE A 16 -3.336 8.379 -7.086 1.00 51.42 H new ATOM 0 HG12 ILE A 16 -4.192 6.144 -6.433 1.00 3.24 H new ATOM 0 HG13 ILE A 16 -4.091 6.593 -4.742 1.00 3.24 H new ATOM 0 HG21 ILE A 16 -1.807 6.476 -6.731 1.00 43.54 H new ATOM 0 HG22 ILE A 16 -1.042 8.034 -6.338 1.00 43.54 H new ATOM 0 HG23 ILE A 16 -1.608 6.966 -5.032 1.00 43.54 H new ATOM 0 HD11 ILE A 16 -6.388 6.732 -5.551 1.00 44.41 H new ATOM 0 HD12 ILE A 16 -5.790 8.345 -5.092 1.00 44.41 H new ATOM 0 HD13 ILE A 16 -5.892 7.888 -6.809 1.00 44.41 H new ATOM 267 N GLU A 17 -1.513 10.781 -5.809 1.00 63.34 N ATOM 268 CA GLU A 17 -0.201 11.420 -5.762 1.00 22.32 C ATOM 269 C GLU A 17 0.031 12.132 -4.434 1.00 14.02 C ATOM 270 O GLU A 17 1.085 11.979 -3.812 1.00 14.23 O ATOM 271 CB GLU A 17 -0.046 12.408 -6.911 1.00 51.23 C ATOM 272 CG GLU A 17 0.028 11.748 -8.274 1.00 72.44 C ATOM 273 CD GLU A 17 0.203 12.750 -9.388 1.00 1.32 C ATOM 274 OE1 GLU A 17 1.189 13.520 -9.349 1.00 61.51 O ATOM 275 OE2 GLU A 17 -0.643 12.782 -10.303 1.00 54.14 O ATOM 0 H GLU A 17 -2.126 11.125 -6.548 1.00 63.34 H new ATOM 0 HA GLU A 17 0.547 10.633 -5.860 1.00 22.32 H new ATOM 0 HB2 GLU A 17 -0.886 13.102 -6.898 1.00 51.23 H new ATOM 0 HB3 GLU A 17 0.857 12.998 -6.753 1.00 51.23 H new ATOM 0 HG2 GLU A 17 0.859 11.043 -8.289 1.00 72.44 H new ATOM 0 HG3 GLU A 17 -0.881 11.172 -8.446 1.00 72.44 H new ATOM 282 N ASN A 18 -0.949 12.913 -4.002 1.00 13.04 N ATOM 283 CA ASN A 18 -0.850 13.606 -2.723 1.00 71.31 C ATOM 284 C ASN A 18 -0.929 12.614 -1.572 1.00 52.14 C ATOM 285 O ASN A 18 -0.306 12.810 -0.529 1.00 65.21 O ATOM 286 CB ASN A 18 -1.938 14.673 -2.598 1.00 64.12 C ATOM 287 CG ASN A 18 -1.558 15.966 -3.297 1.00 62.54 C ATOM 288 OD1 ASN A 18 -0.395 16.370 -3.297 1.00 34.10 O ATOM 289 ND2 ASN A 18 -2.527 16.610 -3.921 1.00 22.33 N ATOM 0 H ASN A 18 -1.816 13.083 -4.513 1.00 13.04 H new ATOM 0 HA ASN A 18 0.118 14.106 -2.678 1.00 71.31 H new ATOM 0 HB2 ASN A 18 -2.867 14.293 -3.022 1.00 64.12 H new ATOM 0 HB3 ASN A 18 -2.127 14.874 -1.544 1.00 64.12 H new ATOM 0 HD21 ASN A 18 -2.324 17.473 -4.425 1.00 22.33 H new ATOM 0 HD22 ASN A 18 -3.479 16.245 -3.899 1.00 22.33 H new ATOM 296 N ALA A 19 -1.675 11.537 -1.776 1.00 64.22 N ATOM 297 CA ALA A 19 -1.770 10.472 -0.787 1.00 55.30 C ATOM 298 C ALA A 19 -0.423 9.774 -0.610 1.00 55.42 C ATOM 299 O ALA A 19 0.054 9.605 0.509 1.00 5.44 O ATOM 300 CB ALA A 19 -2.839 9.471 -1.195 1.00 72.33 C ATOM 0 H ALA A 19 -2.225 11.377 -2.620 1.00 64.22 H new ATOM 0 HA ALA A 19 -2.051 10.914 0.169 1.00 55.30 H new ATOM 0 HB1 ALA A 19 -2.901 8.680 -0.448 1.00 72.33 H new ATOM 0 HB2 ALA A 19 -3.802 9.977 -1.268 1.00 72.33 H new ATOM 0 HB3 ALA A 19 -2.582 9.038 -2.162 1.00 72.33 H new ATOM 306 N LEU A 20 0.190 9.395 -1.728 1.00 50.12 N ATOM 307 CA LEU A 20 1.462 8.676 -1.721 1.00 33.24 C ATOM 308 C LEU A 20 2.535 9.432 -0.952 1.00 14.00 C ATOM 309 O LEU A 20 3.185 8.872 -0.068 1.00 50.42 O ATOM 310 CB LEU A 20 1.942 8.424 -3.151 1.00 33.42 C ATOM 311 CG LEU A 20 1.131 7.400 -3.943 1.00 44.13 C ATOM 312 CD1 LEU A 20 1.708 7.238 -5.342 1.00 42.24 C ATOM 313 CD2 LEU A 20 1.103 6.064 -3.214 1.00 63.34 C ATOM 0 H LEU A 20 -0.179 9.576 -2.662 1.00 50.12 H new ATOM 0 HA LEU A 20 1.290 7.724 -1.219 1.00 33.24 H new ATOM 0 HB2 LEU A 20 1.929 9.370 -3.693 1.00 33.42 H new ATOM 0 HB3 LEU A 20 2.979 8.091 -3.115 1.00 33.42 H new ATOM 0 HG LEU A 20 0.106 7.761 -4.033 1.00 44.13 H new ATOM 0 HD11 LEU A 20 1.120 6.505 -5.895 1.00 42.24 H new ATOM 0 HD12 LEU A 20 1.677 8.196 -5.862 1.00 42.24 H new ATOM 0 HD13 LEU A 20 2.741 6.897 -5.272 1.00 42.24 H new ATOM 0 HD21 LEU A 20 0.521 5.346 -3.792 1.00 63.34 H new ATOM 0 HD22 LEU A 20 2.121 5.693 -3.094 1.00 63.34 H new ATOM 0 HD23 LEU A 20 0.647 6.194 -2.233 1.00 63.34 H new ATOM 325 N GLN A 21 2.713 10.704 -1.280 1.00 11.44 N ATOM 326 CA GLN A 21 3.748 11.505 -0.645 1.00 42.02 C ATOM 327 C GLN A 21 3.431 11.725 0.831 1.00 63.23 C ATOM 328 O GLN A 21 4.327 11.690 1.668 1.00 61.42 O ATOM 329 CB GLN A 21 3.927 12.836 -1.381 1.00 13.25 C ATOM 330 CG GLN A 21 2.705 13.738 -1.359 1.00 13.33 C ATOM 331 CD GLN A 21 2.807 14.867 -2.360 1.00 43.23 C ATOM 332 OE1 GLN A 21 3.329 15.939 -2.060 1.00 33.45 O ATOM 333 NE2 GLN A 21 2.306 14.635 -3.559 1.00 74.32 N ATOM 0 H GLN A 21 2.158 11.200 -1.977 1.00 11.44 H new ATOM 0 HA GLN A 21 4.691 10.961 -0.704 1.00 42.02 H new ATOM 0 HB2 GLN A 21 4.766 13.372 -0.937 1.00 13.25 H new ATOM 0 HB3 GLN A 21 4.192 12.630 -2.418 1.00 13.25 H new ATOM 0 HG2 GLN A 21 1.815 13.146 -1.572 1.00 13.33 H new ATOM 0 HG3 GLN A 21 2.580 14.152 -0.359 1.00 13.33 H new ATOM 0 HE21 GLN A 21 1.881 13.732 -3.768 1.00 74.32 H new ATOM 0 HE22 GLN A 21 2.344 15.359 -4.276 1.00 74.32 H new ATOM 342 N ALA A 22 2.150 11.911 1.152 1.00 64.33 N ATOM 343 CA ALA A 22 1.730 12.072 2.540 1.00 72.52 C ATOM 344 C ALA A 22 2.002 10.799 3.334 1.00 41.34 C ATOM 345 O ALA A 22 2.296 10.847 4.529 1.00 73.02 O ATOM 346 CB ALA A 22 0.258 12.443 2.615 1.00 30.10 C ATOM 0 H ALA A 22 1.391 11.953 0.472 1.00 64.33 H new ATOM 0 HA ALA A 22 2.311 12.882 2.981 1.00 72.52 H new ATOM 0 HB1 ALA A 22 -0.035 12.558 3.658 1.00 30.10 H new ATOM 0 HB2 ALA A 22 0.092 13.381 2.085 1.00 30.10 H new ATOM 0 HB3 ALA A 22 -0.339 11.656 2.155 1.00 30.10 H new ATOM 352 N LEU A 23 1.902 9.663 2.656 1.00 12.20 N ATOM 353 CA LEU A 23 2.222 8.373 3.251 1.00 21.15 C ATOM 354 C LEU A 23 3.718 8.265 3.526 1.00 33.21 C ATOM 355 O LEU A 23 4.124 7.800 4.591 1.00 72.13 O ATOM 356 CB LEU A 23 1.765 7.242 2.327 1.00 0.31 C ATOM 357 CG LEU A 23 0.254 7.010 2.292 1.00 11.23 C ATOM 358 CD1 LEU A 23 -0.161 6.314 1.006 1.00 22.42 C ATOM 359 CD2 LEU A 23 -0.177 6.189 3.496 1.00 70.34 C ATOM 0 H LEU A 23 1.599 9.610 1.684 1.00 12.20 H new ATOM 0 HA LEU A 23 1.694 8.286 4.201 1.00 21.15 H new ATOM 0 HB2 LEU A 23 2.108 7.458 1.315 1.00 0.31 H new ATOM 0 HB3 LEU A 23 2.253 6.318 2.639 1.00 0.31 H new ATOM 0 HG LEU A 23 -0.241 7.981 2.327 1.00 11.23 H new ATOM 0 HD11 LEU A 23 -1.240 6.161 1.007 1.00 22.42 H new ATOM 0 HD12 LEU A 23 0.117 6.931 0.152 1.00 22.42 H new ATOM 0 HD13 LEU A 23 0.342 5.350 0.936 1.00 22.42 H new ATOM 0 HD21 LEU A 23 -1.255 6.030 3.461 1.00 70.34 H new ATOM 0 HD22 LEU A 23 0.333 5.226 3.481 1.00 70.34 H new ATOM 0 HD23 LEU A 23 0.081 6.722 4.411 1.00 70.34 H new ATOM 371 N GLU A 24 4.533 8.717 2.575 1.00 13.14 N ATOM 372 CA GLU A 24 5.984 8.707 2.750 1.00 60.32 C ATOM 373 C GLU A 24 6.386 9.643 3.886 1.00 5.10 C ATOM 374 O GLU A 24 7.380 9.411 4.574 1.00 23.04 O ATOM 375 CB GLU A 24 6.699 9.111 1.455 1.00 53.40 C ATOM 376 CG GLU A 24 6.358 8.224 0.267 1.00 22.40 C ATOM 377 CD GLU A 24 7.326 8.390 -0.890 1.00 65.42 C ATOM 378 OE1 GLU A 24 7.256 9.414 -1.595 1.00 0.51 O ATOM 379 OE2 GLU A 24 8.167 7.488 -1.096 1.00 11.11 O ATOM 0 H GLU A 24 4.216 9.092 1.681 1.00 13.14 H new ATOM 0 HA GLU A 24 6.286 7.691 3.003 1.00 60.32 H new ATOM 0 HB2 GLU A 24 6.440 10.142 1.214 1.00 53.40 H new ATOM 0 HB3 GLU A 24 7.776 9.083 1.621 1.00 53.40 H new ATOM 0 HG2 GLU A 24 6.357 7.182 0.586 1.00 22.40 H new ATOM 0 HG3 GLU A 24 5.349 8.454 -0.074 1.00 22.40 H new ATOM 386 N GLU A 25 5.603 10.699 4.075 1.00 44.33 N ATOM 387 CA GLU A 25 5.816 11.621 5.189 1.00 41.22 C ATOM 388 C GLU A 25 5.441 10.948 6.507 1.00 70.32 C ATOM 389 O GLU A 25 6.139 11.081 7.513 1.00 24.23 O ATOM 390 CB GLU A 25 4.979 12.894 5.013 1.00 30.44 C ATOM 391 CG GLU A 25 5.252 13.648 3.723 1.00 64.43 C ATOM 392 CD GLU A 25 6.672 14.159 3.616 1.00 75.32 C ATOM 393 OE1 GLU A 25 7.552 13.402 3.150 1.00 14.34 O ATOM 394 OE2 GLU A 25 6.911 15.329 3.975 1.00 74.54 O ATOM 0 H GLU A 25 4.815 10.939 3.473 1.00 44.33 H new ATOM 0 HA GLU A 25 6.871 11.893 5.204 1.00 41.22 H new ATOM 0 HB2 GLU A 25 3.923 12.628 5.048 1.00 30.44 H new ATOM 0 HB3 GLU A 25 5.168 13.559 5.856 1.00 30.44 H new ATOM 0 HG2 GLU A 25 5.045 12.993 2.877 1.00 64.43 H new ATOM 0 HG3 GLU A 25 4.564 14.490 3.650 1.00 64.43 H new ATOM 401 N PHE A 26 4.336 10.210 6.484 1.00 23.04 N ATOM 402 CA PHE A 26 3.833 9.531 7.674 1.00 23.21 C ATOM 403 C PHE A 26 4.824 8.479 8.167 1.00 61.32 C ATOM 404 O PHE A 26 4.900 8.202 9.363 1.00 3.24 O ATOM 405 CB PHE A 26 2.473 8.881 7.392 1.00 10.15 C ATOM 406 CG PHE A 26 1.852 8.230 8.600 1.00 74.13 C ATOM 407 CD1 PHE A 26 1.054 8.961 9.466 1.00 11.53 C ATOM 408 CD2 PHE A 26 2.077 6.888 8.876 1.00 63.35 C ATOM 409 CE1 PHE A 26 0.490 8.369 10.579 1.00 13.11 C ATOM 410 CE2 PHE A 26 1.519 6.292 9.991 1.00 41.43 C ATOM 411 CZ PHE A 26 0.724 7.034 10.842 1.00 12.23 C ATOM 0 H PHE A 26 3.768 10.066 5.649 1.00 23.04 H new ATOM 0 HA PHE A 26 3.710 10.280 8.456 1.00 23.21 H new ATOM 0 HB2 PHE A 26 1.791 9.639 7.007 1.00 10.15 H new ATOM 0 HB3 PHE A 26 2.593 8.133 6.608 1.00 10.15 H new ATOM 0 HD1 PHE A 26 0.871 10.007 9.268 1.00 11.53 H new ATOM 0 HD2 PHE A 26 2.695 6.303 8.211 1.00 63.35 H new ATOM 0 HE1 PHE A 26 -0.133 8.950 11.243 1.00 13.11 H new ATOM 0 HE2 PHE A 26 1.704 5.248 10.196 1.00 41.43 H new ATOM 0 HZ PHE A 26 0.285 6.570 11.713 1.00 12.23 H new ATOM 421 N LEU A 27 5.591 7.907 7.245 1.00 62.41 N ATOM 422 CA LEU A 27 6.561 6.867 7.588 1.00 54.34 C ATOM 423 C LEU A 27 7.617 7.387 8.565 1.00 51.11 C ATOM 424 O LEU A 27 8.320 6.608 9.211 1.00 24.52 O ATOM 425 CB LEU A 27 7.243 6.335 6.324 1.00 60.14 C ATOM 426 CG LEU A 27 6.304 5.727 5.278 1.00 32.41 C ATOM 427 CD1 LEU A 27 7.083 5.296 4.045 1.00 62.31 C ATOM 428 CD2 LEU A 27 5.545 4.548 5.863 1.00 25.53 C ATOM 0 H LEU A 27 5.562 8.144 6.253 1.00 62.41 H new ATOM 0 HA LEU A 27 6.017 6.057 8.073 1.00 54.34 H new ATOM 0 HB2 LEU A 27 7.797 7.151 5.860 1.00 60.14 H new ATOM 0 HB3 LEU A 27 7.973 5.579 6.616 1.00 60.14 H new ATOM 0 HG LEU A 27 5.584 6.490 4.982 1.00 32.41 H new ATOM 0 HD11 LEU A 27 6.398 4.867 3.314 1.00 62.31 H new ATOM 0 HD12 LEU A 27 7.583 6.161 3.610 1.00 62.31 H new ATOM 0 HD13 LEU A 27 7.827 4.551 4.327 1.00 62.31 H new ATOM 0 HD21 LEU A 27 4.883 4.129 5.105 1.00 25.53 H new ATOM 0 HD22 LEU A 27 6.252 3.785 6.188 1.00 25.53 H new ATOM 0 HD23 LEU A 27 4.954 4.883 6.716 1.00 25.53 H new ATOM 440 N GLN A 28 7.718 8.701 8.671 1.00 50.52 N ATOM 441 CA GLN A 28 8.681 9.328 9.562 1.00 62.53 C ATOM 442 C GLN A 28 8.087 9.547 10.951 1.00 63.42 C ATOM 443 O GLN A 28 8.803 9.887 11.890 1.00 42.25 O ATOM 444 CB GLN A 28 9.132 10.671 8.992 1.00 31.35 C ATOM 445 CG GLN A 28 9.733 10.581 7.603 1.00 1.15 C ATOM 446 CD GLN A 28 10.111 11.943 7.058 1.00 35.33 C ATOM 447 OE1 GLN A 28 9.487 12.952 7.388 1.00 22.44 O ATOM 448 NE2 GLN A 28 11.134 11.983 6.220 1.00 75.14 N ATOM 0 H GLN A 28 7.141 9.359 8.147 1.00 50.52 H new ATOM 0 HA GLN A 28 9.537 8.658 9.648 1.00 62.53 H new ATOM 0 HB2 GLN A 28 8.278 11.347 8.964 1.00 31.35 H new ATOM 0 HB3 GLN A 28 9.866 11.112 9.666 1.00 31.35 H new ATOM 0 HG2 GLN A 28 10.617 9.944 7.631 1.00 1.15 H new ATOM 0 HG3 GLN A 28 9.019 10.106 6.929 1.00 1.15 H new ATOM 0 HE21 GLN A 28 11.624 11.124 5.972 1.00 75.14 H new ATOM 0 HE22 GLN A 28 11.432 12.873 5.822 1.00 75.14 H new ATOM 457 N THR A 29 6.779 9.356 11.082 1.00 12.03 N ATOM 458 CA THR A 29 6.094 9.699 12.323 1.00 61.34 C ATOM 459 C THR A 29 5.976 8.494 13.265 1.00 5.41 C ATOM 460 O THR A 29 6.676 8.420 14.275 1.00 34.22 O ATOM 461 CB THR A 29 4.698 10.314 12.040 1.00 5.32 C ATOM 462 OG1 THR A 29 3.818 9.350 11.441 1.00 41.32 O ATOM 463 CG2 THR A 29 4.828 11.504 11.101 1.00 22.22 C ATOM 0 H THR A 29 6.178 8.970 10.354 1.00 12.03 H new ATOM 0 HA THR A 29 6.703 10.449 12.827 1.00 61.34 H new ATOM 0 HB THR A 29 4.281 10.634 12.995 1.00 5.32 H new ATOM 0 HG1 THR A 29 4.270 8.920 10.685 1.00 41.32 H new ATOM 0 HG21 THR A 29 3.841 11.927 10.910 1.00 22.22 H new ATOM 0 HG22 THR A 29 5.465 12.261 11.559 1.00 22.22 H new ATOM 0 HG23 THR A 29 5.271 11.178 10.160 1.00 22.22 H new ATOM 471 N GLU A 30 5.104 7.552 12.921 1.00 41.14 N ATOM 472 CA GLU A 30 4.859 6.378 13.749 1.00 22.44 C ATOM 473 C GLU A 30 5.318 5.113 13.026 1.00 51.44 C ATOM 474 O GLU A 30 4.571 4.536 12.233 1.00 11.50 O ATOM 475 CB GLU A 30 3.366 6.268 14.082 1.00 0.42 C ATOM 476 CG GLU A 30 2.797 7.482 14.800 1.00 74.14 C ATOM 477 CD GLU A 30 3.272 7.603 16.233 1.00 73.54 C ATOM 478 OE1 GLU A 30 2.759 6.856 17.092 1.00 13.42 O ATOM 479 OE2 GLU A 30 4.140 8.456 16.516 1.00 51.43 O ATOM 0 H GLU A 30 4.550 7.581 12.065 1.00 41.14 H new ATOM 0 HA GLU A 30 5.426 6.484 14.674 1.00 22.44 H new ATOM 0 HB2 GLU A 30 2.809 6.112 13.158 1.00 0.42 H new ATOM 0 HB3 GLU A 30 3.207 5.386 14.702 1.00 0.42 H new ATOM 0 HG2 GLU A 30 3.076 8.383 14.254 1.00 74.14 H new ATOM 0 HG3 GLU A 30 1.708 7.426 14.788 1.00 74.14 H new ATOM 486 N PRO A 31 6.567 4.683 13.269 1.00 42.41 N ATOM 487 CA PRO A 31 7.129 3.472 12.661 1.00 11.45 C ATOM 488 C PRO A 31 6.308 2.213 12.950 1.00 55.22 C ATOM 489 O PRO A 31 6.345 1.244 12.187 1.00 24.13 O ATOM 490 CB PRO A 31 8.524 3.353 13.288 1.00 55.43 C ATOM 491 CG PRO A 31 8.519 4.275 14.460 1.00 23.35 C ATOM 492 CD PRO A 31 7.545 5.367 14.125 1.00 52.32 C ATOM 0 HA PRO A 31 7.140 3.552 11.574 1.00 11.45 H new ATOM 0 HB2 PRO A 31 8.728 2.328 13.597 1.00 55.43 H new ATOM 0 HB3 PRO A 31 9.299 3.631 12.574 1.00 55.43 H new ATOM 0 HG2 PRO A 31 8.220 3.750 15.367 1.00 23.35 H new ATOM 0 HG3 PRO A 31 9.514 4.682 14.640 1.00 23.35 H new ATOM 0 HD2 PRO A 31 7.079 5.781 15.019 1.00 52.32 H new ATOM 0 HD3 PRO A 31 8.028 6.194 13.605 1.00 52.32 H new ATOM 500 N VAL A 32 5.565 2.239 14.046 1.00 62.32 N ATOM 501 CA VAL A 32 4.731 1.108 14.440 1.00 25.20 C ATOM 502 C VAL A 32 3.530 0.951 13.502 1.00 71.11 C ATOM 503 O VAL A 32 3.064 -0.161 13.262 1.00 75.11 O ATOM 504 CB VAL A 32 4.237 1.251 15.903 1.00 44.10 C ATOM 505 CG1 VAL A 32 3.308 2.449 16.061 1.00 45.03 C ATOM 506 CG2 VAL A 32 3.551 -0.025 16.368 1.00 63.10 C ATOM 0 H VAL A 32 5.521 3.034 14.683 1.00 62.32 H new ATOM 0 HA VAL A 32 5.351 0.215 14.369 1.00 25.20 H new ATOM 0 HB VAL A 32 5.111 1.422 16.532 1.00 44.10 H new ATOM 0 HG11 VAL A 32 2.980 2.521 17.098 1.00 45.03 H new ATOM 0 HG12 VAL A 32 3.839 3.360 15.785 1.00 45.03 H new ATOM 0 HG13 VAL A 32 2.440 2.324 15.414 1.00 45.03 H new ATOM 0 HG21 VAL A 32 3.213 0.098 17.397 1.00 63.10 H new ATOM 0 HG22 VAL A 32 2.694 -0.232 15.727 1.00 63.10 H new ATOM 0 HG23 VAL A 32 4.254 -0.856 16.314 1.00 63.10 H new ATOM 516 N GLY A 33 3.062 2.059 12.939 1.00 11.22 N ATOM 517 CA GLY A 33 1.866 2.026 12.119 1.00 40.51 C ATOM 518 C GLY A 33 2.171 2.200 10.649 1.00 33.42 C ATOM 519 O GLY A 33 1.305 2.592 9.867 1.00 63.31 O ATOM 0 H GLY A 33 3.490 2.980 13.036 1.00 11.22 H new ATOM 0 HA2 GLY A 33 1.351 1.078 12.271 1.00 40.51 H new ATOM 0 HA3 GLY A 33 1.185 2.814 12.442 1.00 40.51 H new ATOM 523 N LYS A 34 3.409 1.913 10.264 1.00 62.31 N ATOM 524 CA LYS A 34 3.815 2.042 8.871 1.00 61.52 C ATOM 525 C LYS A 34 3.198 0.942 8.018 1.00 3.32 C ATOM 526 O LYS A 34 3.104 1.079 6.802 1.00 14.23 O ATOM 527 CB LYS A 34 5.338 2.015 8.731 1.00 4.40 C ATOM 528 CG LYS A 34 6.039 3.211 9.354 1.00 53.02 C ATOM 529 CD LYS A 34 7.507 3.279 8.949 1.00 60.13 C ATOM 530 CE LYS A 34 8.275 2.037 9.373 1.00 42.30 C ATOM 531 NZ LYS A 34 9.712 2.113 8.997 1.00 71.34 N ATOM 0 H LYS A 34 4.145 1.591 10.893 1.00 62.31 H new ATOM 0 HA LYS A 34 3.452 3.007 8.516 1.00 61.52 H new ATOM 0 HB2 LYS A 34 5.719 1.104 9.192 1.00 4.40 H new ATOM 0 HB3 LYS A 34 5.594 1.968 7.673 1.00 4.40 H new ATOM 0 HG2 LYS A 34 5.535 4.128 9.049 1.00 53.02 H new ATOM 0 HG3 LYS A 34 5.964 3.152 10.440 1.00 53.02 H new ATOM 0 HD2 LYS A 34 7.579 3.398 7.868 1.00 60.13 H new ATOM 0 HD3 LYS A 34 7.966 4.160 9.398 1.00 60.13 H new ATOM 0 HE2 LYS A 34 8.189 1.909 10.452 1.00 42.30 H new ATOM 0 HE3 LYS A 34 7.826 1.158 8.911 1.00 42.30 H new ATOM 0 HZ1 LYS A 34 10.198 1.246 9.305 1.00 71.34 H new ATOM 0 HZ2 LYS A 34 9.796 2.209 7.965 1.00 71.34 H new ATOM 0 HZ3 LYS A 34 10.148 2.937 9.458 1.00 71.34 H new ATOM 545 N ASP A 35 2.772 -0.143 8.656 1.00 10.33 N ATOM 546 CA ASP A 35 2.171 -1.259 7.930 1.00 54.31 C ATOM 547 C ASP A 35 0.824 -0.842 7.347 1.00 64.52 C ATOM 548 O ASP A 35 0.488 -1.205 6.221 1.00 11.14 O ATOM 549 CB ASP A 35 2.017 -2.494 8.830 1.00 22.31 C ATOM 550 CG ASP A 35 0.927 -2.355 9.877 1.00 73.35 C ATOM 551 OD1 ASP A 35 0.959 -1.372 10.647 1.00 64.42 O ATOM 552 OD2 ASP A 35 0.038 -3.234 9.929 1.00 31.21 O ATOM 0 H ASP A 35 2.830 -0.274 9.666 1.00 10.33 H new ATOM 0 HA ASP A 35 2.838 -1.531 7.112 1.00 54.31 H new ATOM 0 HB2 ASP A 35 1.801 -3.362 8.207 1.00 22.31 H new ATOM 0 HB3 ASP A 35 2.966 -2.689 9.330 1.00 22.31 H new ATOM 557 N GLU A 36 0.070 -0.061 8.112 1.00 62.33 N ATOM 558 CA GLU A 36 -1.181 0.511 7.624 1.00 54.05 C ATOM 559 C GLU A 36 -0.885 1.507 6.506 1.00 4.52 C ATOM 560 O GLU A 36 -1.609 1.586 5.513 1.00 33.30 O ATOM 561 CB GLU A 36 -1.927 1.207 8.769 1.00 54.33 C ATOM 562 CG GLU A 36 -3.274 1.797 8.369 1.00 72.13 C ATOM 563 CD GLU A 36 -4.337 0.744 8.120 1.00 30.45 C ATOM 564 OE1 GLU A 36 -5.011 0.336 9.091 1.00 64.44 O ATOM 565 OE2 GLU A 36 -4.529 0.341 6.954 1.00 75.32 O ATOM 0 H GLU A 36 0.302 0.191 9.073 1.00 62.33 H new ATOM 0 HA GLU A 36 -1.812 -0.288 7.234 1.00 54.05 H new ATOM 0 HB2 GLU A 36 -2.082 0.490 9.575 1.00 54.33 H new ATOM 0 HB3 GLU A 36 -1.298 2.003 9.167 1.00 54.33 H new ATOM 0 HG2 GLU A 36 -3.616 2.471 9.155 1.00 72.13 H new ATOM 0 HG3 GLU A 36 -3.148 2.397 7.468 1.00 72.13 H new ATOM 572 N ALA A 37 0.205 2.251 6.669 1.00 22.13 N ATOM 573 CA ALA A 37 0.627 3.227 5.674 1.00 24.55 C ATOM 574 C ALA A 37 0.976 2.548 4.354 1.00 61.52 C ATOM 575 O ALA A 37 0.447 2.914 3.308 1.00 62.22 O ATOM 576 CB ALA A 37 1.810 4.034 6.188 1.00 53.15 C ATOM 0 H ALA A 37 0.814 2.195 7.486 1.00 22.13 H new ATOM 0 HA ALA A 37 -0.206 3.907 5.493 1.00 24.55 H new ATOM 0 HB1 ALA A 37 2.112 4.758 5.432 1.00 53.15 H new ATOM 0 HB2 ALA A 37 1.524 4.559 7.099 1.00 53.15 H new ATOM 0 HB3 ALA A 37 2.643 3.364 6.401 1.00 53.15 H new ATOM 582 N TYR A 38 1.850 1.546 4.411 1.00 4.11 N ATOM 583 CA TYR A 38 2.248 0.802 3.218 1.00 22.12 C ATOM 584 C TYR A 38 1.045 0.137 2.559 1.00 1.35 C ATOM 585 O TYR A 38 0.967 0.038 1.331 1.00 62.15 O ATOM 586 CB TYR A 38 3.293 -0.254 3.564 1.00 75.53 C ATOM 587 CG TYR A 38 4.692 0.295 3.714 1.00 50.34 C ATOM 588 CD1 TYR A 38 5.363 0.834 2.624 1.00 25.44 C ATOM 589 CD2 TYR A 38 5.347 0.268 4.938 1.00 22.24 C ATOM 590 CE1 TYR A 38 6.644 1.330 2.748 1.00 51.52 C ATOM 591 CE2 TYR A 38 6.629 0.762 5.071 1.00 75.53 C ATOM 592 CZ TYR A 38 7.274 1.292 3.973 1.00 10.34 C ATOM 593 OH TYR A 38 8.558 1.777 4.099 1.00 42.12 O ATOM 0 H TYR A 38 2.297 1.230 5.272 1.00 4.11 H new ATOM 0 HA TYR A 38 2.681 1.514 2.515 1.00 22.12 H new ATOM 0 HB2 TYR A 38 3.005 -0.745 4.493 1.00 75.53 H new ATOM 0 HB3 TYR A 38 3.295 -1.018 2.786 1.00 75.53 H new ATOM 0 HD1 TYR A 38 4.873 0.865 1.662 1.00 25.44 H new ATOM 0 HD2 TYR A 38 4.845 -0.146 5.800 1.00 22.24 H new ATOM 0 HE1 TYR A 38 7.151 1.746 1.890 1.00 51.52 H new ATOM 0 HE2 TYR A 38 7.125 0.734 6.030 1.00 75.53 H new ATOM 0 HH TYR A 38 8.856 1.677 5.027 1.00 42.12 H new ATOM 603 N TYR A 39 0.110 -0.317 3.384 1.00 13.14 N ATOM 604 CA TYR A 39 -1.130 -0.904 2.898 1.00 5.04 C ATOM 605 C TYR A 39 -1.906 0.118 2.071 1.00 73.53 C ATOM 606 O TYR A 39 -2.402 -0.189 0.985 1.00 14.31 O ATOM 607 CB TYR A 39 -1.969 -1.394 4.084 1.00 72.43 C ATOM 608 CG TYR A 39 -3.277 -2.041 3.695 1.00 60.34 C ATOM 609 CD1 TYR A 39 -3.298 -3.279 3.067 1.00 11.12 C ATOM 610 CD2 TYR A 39 -4.490 -1.423 3.971 1.00 2.23 C ATOM 611 CE1 TYR A 39 -4.490 -3.883 2.724 1.00 52.04 C ATOM 612 CE2 TYR A 39 -5.688 -2.019 3.629 1.00 44.13 C ATOM 613 CZ TYR A 39 -5.682 -3.250 3.005 1.00 14.50 C ATOM 614 OH TYR A 39 -6.873 -3.852 2.672 1.00 4.33 O ATOM 0 H TYR A 39 0.189 -0.289 4.401 1.00 13.14 H new ATOM 0 HA TYR A 39 -0.900 -1.756 2.258 1.00 5.04 H new ATOM 0 HB2 TYR A 39 -1.381 -2.109 4.660 1.00 72.43 H new ATOM 0 HB3 TYR A 39 -2.176 -0.549 4.741 1.00 72.43 H new ATOM 0 HD1 TYR A 39 -2.366 -3.777 2.843 1.00 11.12 H new ATOM 0 HD2 TYR A 39 -4.496 -0.461 4.461 1.00 2.23 H new ATOM 0 HE1 TYR A 39 -4.489 -4.847 2.238 1.00 52.04 H new ATOM 0 HE2 TYR A 39 -6.623 -1.525 3.848 1.00 44.13 H new ATOM 0 HH TYR A 39 -7.618 -3.274 2.940 1.00 4.33 H new ATOM 624 N LEU A 40 -1.985 1.341 2.584 1.00 34.43 N ATOM 625 CA LEU A 40 -2.643 2.431 1.875 1.00 2.43 C ATOM 626 C LEU A 40 -1.869 2.799 0.614 1.00 72.30 C ATOM 627 O LEU A 40 -2.465 3.083 -0.427 1.00 5.13 O ATOM 628 CB LEU A 40 -2.788 3.658 2.780 1.00 11.41 C ATOM 629 CG LEU A 40 -3.690 3.468 4.002 1.00 55.20 C ATOM 630 CD1 LEU A 40 -3.707 4.730 4.851 1.00 62.35 C ATOM 631 CD2 LEU A 40 -5.101 3.095 3.568 1.00 73.31 C ATOM 0 H LEU A 40 -1.600 1.602 3.492 1.00 34.43 H new ATOM 0 HA LEU A 40 -3.638 2.092 1.587 1.00 2.43 H new ATOM 0 HB2 LEU A 40 -1.797 3.955 3.123 1.00 11.41 H new ATOM 0 HB3 LEU A 40 -3.179 4.483 2.185 1.00 11.41 H new ATOM 0 HG LEU A 40 -3.289 2.653 4.606 1.00 55.20 H new ATOM 0 HD11 LEU A 40 -4.353 4.578 5.716 1.00 62.35 H new ATOM 0 HD12 LEU A 40 -2.695 4.955 5.189 1.00 62.35 H new ATOM 0 HD13 LEU A 40 -4.085 5.563 4.258 1.00 62.35 H new ATOM 0 HD21 LEU A 40 -5.730 2.963 4.449 1.00 73.31 H new ATOM 0 HD22 LEU A 40 -5.512 3.889 2.944 1.00 73.31 H new ATOM 0 HD23 LEU A 40 -5.073 2.165 3.000 1.00 73.31 H new ATOM 643 N MET A 41 -0.540 2.778 0.704 1.00 44.22 N ATOM 644 CA MET A 41 0.312 3.086 -0.444 1.00 32.10 C ATOM 645 C MET A 41 0.036 2.109 -1.576 1.00 44.24 C ATOM 646 O MET A 41 -0.233 2.515 -2.708 1.00 61.22 O ATOM 647 CB MET A 41 1.798 3.033 -0.068 1.00 53.34 C ATOM 648 CG MET A 41 2.163 3.943 1.091 1.00 52.44 C ATOM 649 SD MET A 41 3.929 3.964 1.467 1.00 41.33 S ATOM 650 CE MET A 41 4.535 5.053 0.181 1.00 10.31 C ATOM 0 H MET A 41 -0.031 2.551 1.558 1.00 44.22 H new ATOM 0 HA MET A 41 0.078 4.099 -0.770 1.00 32.10 H new ATOM 0 HB2 MET A 41 2.063 2.007 0.188 1.00 53.34 H new ATOM 0 HB3 MET A 41 2.395 3.309 -0.938 1.00 53.34 H new ATOM 0 HG2 MET A 41 1.837 4.958 0.862 1.00 52.44 H new ATOM 0 HG3 MET A 41 1.615 3.625 1.978 1.00 52.44 H new ATOM 0 HE1 MET A 41 5.625 5.028 0.166 1.00 10.31 H new ATOM 0 HE2 MET A 41 4.151 4.724 -0.785 1.00 10.31 H new ATOM 0 HE3 MET A 41 4.198 6.071 0.378 1.00 10.31 H new ATOM 660 N GLY A 42 0.080 0.821 -1.253 1.00 44.44 N ATOM 661 CA GLY A 42 -0.187 -0.207 -2.239 1.00 14.22 C ATOM 662 C GLY A 42 -1.590 -0.115 -2.805 1.00 23.22 C ATOM 663 O GLY A 42 -1.810 -0.396 -3.981 1.00 23.45 O ATOM 0 H GLY A 42 0.297 0.470 -0.320 1.00 44.44 H new ATOM 0 HA2 GLY A 42 0.535 -0.124 -3.051 1.00 14.22 H new ATOM 0 HA3 GLY A 42 -0.045 -1.188 -1.785 1.00 14.22 H new ATOM 667 N ASN A 43 -2.541 0.283 -1.966 1.00 61.25 N ATOM 668 CA ASN A 43 -3.924 0.446 -2.398 1.00 52.10 C ATOM 669 C ASN A 43 -4.023 1.600 -3.394 1.00 44.12 C ATOM 670 O ASN A 43 -4.737 1.519 -4.396 1.00 33.54 O ATOM 671 CB ASN A 43 -4.828 0.711 -1.188 1.00 14.23 C ATOM 672 CG ASN A 43 -6.297 0.427 -1.459 1.00 23.11 C ATOM 673 OD1 ASN A 43 -6.766 0.482 -2.598 1.00 22.22 O ATOM 674 ND2 ASN A 43 -7.040 0.124 -0.403 1.00 21.03 N ATOM 0 H ASN A 43 -2.379 0.499 -0.982 1.00 61.25 H new ATOM 0 HA ASN A 43 -4.255 -0.471 -2.885 1.00 52.10 H new ATOM 0 HB2 ASN A 43 -4.494 0.095 -0.353 1.00 14.23 H new ATOM 0 HB3 ASN A 43 -4.717 1.751 -0.882 1.00 14.23 H new ATOM 0 HD21 ASN A 43 -8.034 -0.073 -0.518 1.00 21.03 H new ATOM 0 HD22 ASN A 43 -6.617 0.088 0.525 1.00 21.03 H new ATOM 681 N ALA A 44 -3.276 2.665 -3.119 1.00 14.43 N ATOM 682 CA ALA A 44 -3.233 3.823 -3.997 1.00 3.22 C ATOM 683 C ALA A 44 -2.627 3.458 -5.351 1.00 33.31 C ATOM 684 O ALA A 44 -3.157 3.831 -6.399 1.00 53.14 O ATOM 685 CB ALA A 44 -2.447 4.945 -3.338 1.00 4.20 C ATOM 0 H ALA A 44 -2.690 2.747 -2.289 1.00 14.43 H new ATOM 0 HA ALA A 44 -4.253 4.166 -4.171 1.00 3.22 H new ATOM 0 HB1 ALA A 44 -2.419 5.809 -4.002 1.00 4.20 H new ATOM 0 HB2 ALA A 44 -2.927 5.224 -2.400 1.00 4.20 H new ATOM 0 HB3 ALA A 44 -1.430 4.608 -3.139 1.00 4.20 H new ATOM 691 N TYR A 45 -1.525 2.713 -5.324 1.00 32.03 N ATOM 692 CA TYR A 45 -0.886 2.249 -6.554 1.00 32.11 C ATOM 693 C TYR A 45 -1.820 1.340 -7.350 1.00 53.32 C ATOM 694 O TYR A 45 -1.760 1.297 -8.579 1.00 61.50 O ATOM 695 CB TYR A 45 0.417 1.508 -6.254 1.00 53.10 C ATOM 696 CG TYR A 45 1.550 2.402 -5.799 1.00 32.42 C ATOM 697 CD1 TYR A 45 2.120 3.333 -6.662 1.00 42.44 C ATOM 698 CD2 TYR A 45 2.062 2.304 -4.514 1.00 51.12 C ATOM 699 CE1 TYR A 45 3.165 4.139 -6.251 1.00 72.11 C ATOM 700 CE2 TYR A 45 3.108 3.104 -4.098 1.00 61.41 C ATOM 701 CZ TYR A 45 3.656 4.020 -4.968 1.00 44.41 C ATOM 702 OH TYR A 45 4.703 4.812 -4.554 1.00 10.14 O ATOM 0 H TYR A 45 -1.057 2.418 -4.467 1.00 32.03 H new ATOM 0 HA TYR A 45 -0.659 3.132 -7.152 1.00 32.11 H new ATOM 0 HB2 TYR A 45 0.227 0.761 -5.484 1.00 53.10 H new ATOM 0 HB3 TYR A 45 0.730 0.971 -7.149 1.00 53.10 H new ATOM 0 HD1 TYR A 45 1.740 3.427 -7.669 1.00 42.44 H new ATOM 0 HD2 TYR A 45 1.635 1.589 -3.826 1.00 51.12 H new ATOM 0 HE1 TYR A 45 3.595 4.859 -6.932 1.00 72.11 H new ATOM 0 HE2 TYR A 45 3.495 3.012 -3.094 1.00 61.41 H new ATOM 0 HH TYR A 45 4.924 4.601 -3.623 1.00 10.14 H new ATOM 712 N ARG A 46 -2.683 0.617 -6.645 1.00 12.04 N ATOM 713 CA ARG A 46 -3.673 -0.239 -7.287 1.00 11.31 C ATOM 714 C ARG A 46 -4.674 0.606 -8.070 1.00 42.30 C ATOM 715 O ARG A 46 -5.077 0.241 -9.177 1.00 25.54 O ATOM 716 CB ARG A 46 -4.405 -1.090 -6.246 1.00 15.40 C ATOM 717 CG ARG A 46 -5.447 -2.019 -6.849 1.00 42.43 C ATOM 718 CD ARG A 46 -6.262 -2.719 -5.775 1.00 51.12 C ATOM 719 NE ARG A 46 -6.978 -1.767 -4.925 1.00 32.24 N ATOM 720 CZ ARG A 46 -8.294 -1.550 -4.988 1.00 30.05 C ATOM 721 NH1 ARG A 46 -9.039 -2.199 -5.875 1.00 75.11 N ATOM 722 NH2 ARG A 46 -8.858 -0.679 -4.165 1.00 63.34 N ATOM 0 H ARG A 46 -2.717 0.607 -5.626 1.00 12.04 H new ATOM 0 HA ARG A 46 -3.155 -0.905 -7.978 1.00 11.31 H new ATOM 0 HB2 ARG A 46 -3.675 -1.684 -5.695 1.00 15.40 H new ATOM 0 HB3 ARG A 46 -4.890 -0.431 -5.525 1.00 15.40 H new ATOM 0 HG2 ARG A 46 -6.112 -1.448 -7.497 1.00 42.43 H new ATOM 0 HG3 ARG A 46 -4.953 -2.763 -7.474 1.00 42.43 H new ATOM 0 HD2 ARG A 46 -6.977 -3.395 -6.245 1.00 51.12 H new ATOM 0 HD3 ARG A 46 -5.602 -3.330 -5.159 1.00 51.12 H new ATOM 0 HE ARG A 46 -6.438 -1.236 -4.242 1.00 32.24 H new ATOM 0 HH11 ARG A 46 -8.606 -2.867 -6.513 1.00 75.11 H new ATOM 0 HH12 ARG A 46 -10.044 -2.029 -5.919 1.00 75.11 H new ATOM 0 HH21 ARG A 46 -8.287 -0.176 -3.485 1.00 63.34 H new ATOM 0 HH22 ARG A 46 -9.863 -0.511 -4.211 1.00 63.34 H new ATOM 736 N LYS A 47 -5.070 1.738 -7.488 1.00 55.33 N ATOM 737 CA LYS A 47 -5.972 2.664 -8.162 1.00 23.13 C ATOM 738 C LYS A 47 -5.302 3.275 -9.387 1.00 22.43 C ATOM 739 O LYS A 47 -5.963 3.574 -10.381 1.00 65.43 O ATOM 740 CB LYS A 47 -6.436 3.773 -7.214 1.00 13.32 C ATOM 741 CG LYS A 47 -7.504 3.337 -6.221 1.00 61.31 C ATOM 742 CD LYS A 47 -7.992 4.515 -5.393 1.00 43.14 C ATOM 743 CE LYS A 47 -9.172 4.147 -4.501 1.00 61.54 C ATOM 744 NZ LYS A 47 -10.364 3.722 -5.284 1.00 43.43 N ATOM 0 H LYS A 47 -4.780 2.033 -6.555 1.00 55.33 H new ATOM 0 HA LYS A 47 -6.846 2.097 -8.483 1.00 23.13 H new ATOM 0 HB2 LYS A 47 -5.574 4.148 -6.662 1.00 13.32 H new ATOM 0 HB3 LYS A 47 -6.822 4.603 -7.805 1.00 13.32 H new ATOM 0 HG2 LYS A 47 -8.343 2.892 -6.756 1.00 61.31 H new ATOM 0 HG3 LYS A 47 -7.101 2.567 -5.563 1.00 61.31 H new ATOM 0 HD2 LYS A 47 -7.174 4.885 -4.775 1.00 43.14 H new ATOM 0 HD3 LYS A 47 -8.282 5.328 -6.058 1.00 43.14 H new ATOM 0 HE2 LYS A 47 -8.878 3.342 -3.827 1.00 61.54 H new ATOM 0 HE3 LYS A 47 -9.435 5.003 -3.880 1.00 61.54 H new ATOM 0 HZ1 LYS A 47 -11.203 3.728 -4.670 1.00 43.43 H new ATOM 0 HZ2 LYS A 47 -10.511 4.379 -6.077 1.00 43.43 H new ATOM 0 HZ3 LYS A 47 -10.212 2.762 -5.654 1.00 43.43 H new ATOM 758 N LEU A 48 -3.990 3.474 -9.307 1.00 35.41 N ATOM 759 CA LEU A 48 -3.219 3.923 -10.458 1.00 42.31 C ATOM 760 C LEU A 48 -3.194 2.835 -11.526 1.00 34.30 C ATOM 761 O LEU A 48 -3.511 3.081 -12.693 1.00 10.11 O ATOM 762 CB LEU A 48 -1.786 4.279 -10.051 1.00 42.31 C ATOM 763 CG LEU A 48 -1.644 5.486 -9.123 1.00 50.30 C ATOM 764 CD1 LEU A 48 -0.178 5.728 -8.797 1.00 21.44 C ATOM 765 CD2 LEU A 48 -2.266 6.719 -9.762 1.00 63.44 C ATOM 0 H LEU A 48 -3.441 3.332 -8.459 1.00 35.41 H new ATOM 0 HA LEU A 48 -3.697 4.816 -10.860 1.00 42.31 H new ATOM 0 HB2 LEU A 48 -1.340 3.413 -9.562 1.00 42.31 H new ATOM 0 HB3 LEU A 48 -1.207 4.468 -10.955 1.00 42.31 H new ATOM 0 HG LEU A 48 -2.173 5.280 -8.193 1.00 50.30 H new ATOM 0 HD11 LEU A 48 -0.090 6.590 -8.136 1.00 21.44 H new ATOM 0 HD12 LEU A 48 0.235 4.848 -8.304 1.00 21.44 H new ATOM 0 HD13 LEU A 48 0.373 5.920 -9.718 1.00 21.44 H new ATOM 0 HD21 LEU A 48 -2.158 7.571 -9.090 1.00 63.44 H new ATOM 0 HD22 LEU A 48 -1.762 6.934 -10.704 1.00 63.44 H new ATOM 0 HD23 LEU A 48 -3.324 6.537 -9.949 1.00 63.44 H new ATOM 777 N GLY A 49 -2.822 1.633 -11.114 1.00 51.41 N ATOM 778 CA GLY A 49 -2.801 0.511 -12.027 1.00 12.31 C ATOM 779 C GLY A 49 -1.440 -0.142 -12.119 1.00 32.14 C ATOM 780 O GLY A 49 -1.133 -0.802 -13.110 1.00 51.31 O ATOM 0 H GLY A 49 -2.533 1.415 -10.160 1.00 51.41 H new ATOM 0 HA2 GLY A 49 -3.533 -0.229 -11.704 1.00 12.31 H new ATOM 0 HA3 GLY A 49 -3.105 0.848 -13.018 1.00 12.31 H new ATOM 784 N ASP A 50 -0.615 0.039 -11.096 1.00 34.14 N ATOM 785 CA ASP A 50 0.698 -0.592 -11.072 1.00 75.44 C ATOM 786 C ASP A 50 0.715 -1.707 -10.042 1.00 61.20 C ATOM 787 O ASP A 50 0.432 -1.481 -8.865 1.00 24.50 O ATOM 788 CB ASP A 50 1.798 0.421 -10.762 1.00 21.34 C ATOM 789 CG ASP A 50 3.178 -0.161 -10.997 1.00 41.41 C ATOM 790 OD1 ASP A 50 3.712 -0.834 -10.094 1.00 74.12 O ATOM 791 OD2 ASP A 50 3.731 0.043 -12.098 1.00 31.31 O ATOM 0 H ASP A 50 -0.829 0.612 -10.279 1.00 34.14 H new ATOM 0 HA ASP A 50 0.892 -1.006 -12.061 1.00 75.44 H new ATOM 0 HB2 ASP A 50 1.665 1.305 -11.385 1.00 21.34 H new ATOM 0 HB3 ASP A 50 1.712 0.746 -9.725 1.00 21.34 H new ATOM 796 N TRP A 51 1.040 -2.908 -10.488 1.00 42.30 N ATOM 797 CA TRP A 51 0.979 -4.072 -9.621 1.00 62.41 C ATOM 798 C TRP A 51 2.280 -4.269 -8.856 1.00 2.44 C ATOM 799 O TRP A 51 2.264 -4.750 -7.724 1.00 52.13 O ATOM 800 CB TRP A 51 0.643 -5.323 -10.430 1.00 61.00 C ATOM 801 CG TRP A 51 -0.692 -5.240 -11.105 1.00 22.31 C ATOM 802 CD1 TRP A 51 -0.930 -5.206 -12.447 1.00 53.10 C ATOM 803 CD2 TRP A 51 -1.971 -5.165 -10.467 1.00 21.21 C ATOM 804 NE1 TRP A 51 -2.280 -5.122 -12.685 1.00 62.13 N ATOM 805 CE2 TRP A 51 -2.942 -5.095 -11.485 1.00 60.35 C ATOM 806 CE3 TRP A 51 -2.391 -5.155 -9.135 1.00 72.11 C ATOM 807 CZ2 TRP A 51 -4.304 -5.012 -11.208 1.00 2.01 C ATOM 808 CZ3 TRP A 51 -3.743 -5.074 -8.862 1.00 41.32 C ATOM 809 CH2 TRP A 51 -4.685 -5.003 -9.895 1.00 64.54 C ATOM 0 H TRP A 51 1.347 -3.102 -11.441 1.00 42.30 H new ATOM 0 HA TRP A 51 0.188 -3.900 -8.891 1.00 62.41 H new ATOM 0 HB2 TRP A 51 1.416 -5.481 -11.182 1.00 61.00 H new ATOM 0 HB3 TRP A 51 0.658 -6.191 -9.771 1.00 61.00 H new ATOM 0 HD1 TRP A 51 -0.168 -5.240 -13.212 1.00 53.10 H new ATOM 0 HE1 TRP A 51 -2.719 -5.086 -13.605 1.00 62.13 H new ATOM 0 HE3 TRP A 51 -1.671 -5.210 -8.332 1.00 72.11 H new ATOM 0 HZ2 TRP A 51 -5.034 -4.957 -12.002 1.00 2.01 H new ATOM 0 HZ3 TRP A 51 -4.078 -5.065 -7.835 1.00 41.32 H new ATOM 0 HH2 TRP A 51 -5.735 -4.940 -9.650 1.00 64.54 H new ATOM 820 N GLN A 52 3.401 -3.888 -9.462 1.00 11.04 N ATOM 821 CA GLN A 52 4.693 -4.017 -8.796 1.00 50.32 C ATOM 822 C GLN A 52 4.721 -3.185 -7.530 1.00 31.32 C ATOM 823 O GLN A 52 4.971 -3.709 -6.444 1.00 15.32 O ATOM 824 CB GLN A 52 5.843 -3.589 -9.704 1.00 75.22 C ATOM 825 CG GLN A 52 6.199 -4.605 -10.768 1.00 21.35 C ATOM 826 CD GLN A 52 6.588 -5.952 -10.187 1.00 51.24 C ATOM 827 OE1 GLN A 52 7.124 -6.037 -9.082 1.00 15.44 O ATOM 828 NE2 GLN A 52 6.328 -7.015 -10.932 1.00 4.03 N ATOM 0 H GLN A 52 3.442 -3.492 -10.401 1.00 11.04 H new ATOM 0 HA GLN A 52 4.823 -5.070 -8.548 1.00 50.32 H new ATOM 0 HB2 GLN A 52 5.579 -2.649 -10.188 1.00 75.22 H new ATOM 0 HB3 GLN A 52 6.724 -3.396 -9.091 1.00 75.22 H new ATOM 0 HG2 GLN A 52 5.350 -4.735 -11.439 1.00 21.35 H new ATOM 0 HG3 GLN A 52 7.024 -4.222 -11.369 1.00 21.35 H new ATOM 0 HE21 GLN A 52 5.882 -6.903 -11.843 1.00 4.03 H new ATOM 0 HE22 GLN A 52 6.573 -7.946 -10.595 1.00 4.03 H new ATOM 837 N LYS A 53 4.431 -1.895 -7.675 1.00 45.41 N ATOM 838 CA LYS A 53 4.447 -0.971 -6.548 1.00 2.31 C ATOM 839 C LYS A 53 3.532 -1.462 -5.440 1.00 0.14 C ATOM 840 O LYS A 53 3.894 -1.414 -4.267 1.00 63.02 O ATOM 841 CB LYS A 53 4.019 0.429 -6.994 1.00 12.34 C ATOM 842 CG LYS A 53 4.998 1.104 -7.938 1.00 50.10 C ATOM 843 CD LYS A 53 6.321 1.402 -7.257 1.00 2.21 C ATOM 844 CE LYS A 53 7.323 1.992 -8.235 1.00 1.24 C ATOM 845 NZ LYS A 53 6.840 3.262 -8.835 1.00 62.21 N ATOM 0 H LYS A 53 4.181 -1.466 -8.566 1.00 45.41 H new ATOM 0 HA LYS A 53 5.467 -0.922 -6.166 1.00 2.31 H new ATOM 0 HB2 LYS A 53 3.047 0.362 -7.483 1.00 12.34 H new ATOM 0 HB3 LYS A 53 3.890 1.056 -6.112 1.00 12.34 H new ATOM 0 HG2 LYS A 53 5.170 0.463 -8.803 1.00 50.10 H new ATOM 0 HG3 LYS A 53 4.563 2.032 -8.310 1.00 50.10 H new ATOM 0 HD2 LYS A 53 6.160 2.098 -6.433 1.00 2.21 H new ATOM 0 HD3 LYS A 53 6.726 0.486 -6.826 1.00 2.21 H new ATOM 0 HE2 LYS A 53 8.268 2.171 -7.721 1.00 1.24 H new ATOM 0 HE3 LYS A 53 7.523 1.271 -9.027 1.00 1.24 H new ATOM 0 HZ1 LYS A 53 7.615 3.715 -9.360 1.00 62.21 H new ATOM 0 HZ2 LYS A 53 6.052 3.062 -9.484 1.00 62.21 H new ATOM 0 HZ3 LYS A 53 6.514 3.900 -8.081 1.00 62.21 H new ATOM 859 N ALA A 54 2.361 -1.952 -5.818 1.00 11.35 N ATOM 860 CA ALA A 54 1.420 -2.498 -4.851 1.00 13.13 C ATOM 861 C ALA A 54 2.050 -3.658 -4.088 1.00 2.54 C ATOM 862 O ALA A 54 2.003 -3.700 -2.860 1.00 44.25 O ATOM 863 CB ALA A 54 0.146 -2.951 -5.545 1.00 33.35 C ATOM 0 H ALA A 54 2.040 -1.983 -6.786 1.00 11.35 H new ATOM 0 HA ALA A 54 1.166 -1.713 -4.139 1.00 13.13 H new ATOM 0 HB1 ALA A 54 -0.546 -3.356 -4.807 1.00 33.35 H new ATOM 0 HB2 ALA A 54 -0.316 -2.101 -6.048 1.00 33.35 H new ATOM 0 HB3 ALA A 54 0.385 -3.720 -6.279 1.00 33.35 H new ATOM 869 N LEU A 55 2.665 -4.575 -4.824 1.00 42.51 N ATOM 870 CA LEU A 55 3.275 -5.761 -4.235 1.00 24.25 C ATOM 871 C LEU A 55 4.379 -5.414 -3.242 1.00 13.23 C ATOM 872 O LEU A 55 4.354 -5.883 -2.103 1.00 41.34 O ATOM 873 CB LEU A 55 3.834 -6.668 -5.328 1.00 55.21 C ATOM 874 CG LEU A 55 2.781 -7.391 -6.162 1.00 64.21 C ATOM 875 CD1 LEU A 55 3.435 -8.124 -7.322 1.00 14.30 C ATOM 876 CD2 LEU A 55 1.994 -8.358 -5.293 1.00 51.23 C ATOM 0 H LEU A 55 2.755 -4.519 -5.838 1.00 42.51 H new ATOM 0 HA LEU A 55 2.490 -6.283 -3.687 1.00 24.25 H new ATOM 0 HB2 LEU A 55 4.456 -6.070 -5.994 1.00 55.21 H new ATOM 0 HB3 LEU A 55 4.484 -7.411 -4.866 1.00 55.21 H new ATOM 0 HG LEU A 55 2.090 -6.652 -6.569 1.00 64.21 H new ATOM 0 HD11 LEU A 55 2.670 -8.635 -7.907 1.00 14.30 H new ATOM 0 HD12 LEU A 55 3.959 -7.408 -7.955 1.00 14.30 H new ATOM 0 HD13 LEU A 55 4.145 -8.855 -6.936 1.00 14.30 H new ATOM 0 HD21 LEU A 55 1.246 -8.867 -5.901 1.00 51.23 H new ATOM 0 HD22 LEU A 55 2.672 -9.094 -4.861 1.00 51.23 H new ATOM 0 HD23 LEU A 55 1.498 -7.808 -4.493 1.00 51.23 H new ATOM 888 N ASN A 56 5.339 -4.591 -3.655 1.00 10.22 N ATOM 889 CA ASN A 56 6.474 -4.287 -2.784 1.00 4.32 C ATOM 890 C ASN A 56 6.063 -3.388 -1.624 1.00 34.23 C ATOM 891 O ASN A 56 6.671 -3.438 -0.555 1.00 52.02 O ATOM 892 CB ASN A 56 7.674 -3.692 -3.548 1.00 13.22 C ATOM 893 CG ASN A 56 7.343 -2.504 -4.438 1.00 50.33 C ATOM 894 OD1 ASN A 56 7.134 -1.390 -3.960 1.00 21.22 O ATOM 895 ND2 ASN A 56 7.356 -2.726 -5.747 1.00 64.10 N ATOM 0 H ASN A 56 5.357 -4.131 -4.565 1.00 10.22 H new ATOM 0 HA ASN A 56 6.806 -5.241 -2.374 1.00 4.32 H new ATOM 0 HB2 ASN A 56 8.430 -3.386 -2.825 1.00 13.22 H new ATOM 0 HB3 ASN A 56 8.119 -4.475 -4.163 1.00 13.22 H new ATOM 0 HD21 ASN A 56 7.189 -1.957 -6.396 1.00 64.10 H new ATOM 0 HD22 ASN A 56 7.533 -3.665 -6.103 1.00 64.10 H new ATOM 902 N ASN A 57 5.022 -2.585 -1.812 1.00 72.41 N ATOM 903 CA ASN A 57 4.504 -1.771 -0.719 1.00 44.03 C ATOM 904 C ASN A 57 3.775 -2.641 0.297 1.00 75.34 C ATOM 905 O ASN A 57 4.010 -2.523 1.499 1.00 23.41 O ATOM 906 CB ASN A 57 3.596 -0.648 -1.231 1.00 63.21 C ATOM 907 CG ASN A 57 4.381 0.597 -1.607 1.00 50.51 C ATOM 908 OD1 ASN A 57 4.577 1.489 -0.785 1.00 43.14 O ATOM 909 ND2 ASN A 57 4.849 0.668 -2.842 1.00 24.22 N ATOM 0 H ASN A 57 4.526 -2.480 -2.697 1.00 72.41 H new ATOM 0 HA ASN A 57 5.354 -1.300 -0.224 1.00 44.03 H new ATOM 0 HB2 ASN A 57 3.039 -1.000 -2.099 1.00 63.21 H new ATOM 0 HB3 ASN A 57 2.864 -0.396 -0.464 1.00 63.21 H new ATOM 0 HD21 ASN A 57 5.391 1.481 -3.136 1.00 24.22 H new ATOM 0 HD22 ASN A 57 4.668 -0.090 -3.500 1.00 24.22 H new ATOM 916 N TYR A 58 2.913 -3.536 -0.182 1.00 12.23 N ATOM 917 CA TYR A 58 2.240 -4.483 0.704 1.00 62.11 C ATOM 918 C TYR A 58 3.272 -5.319 1.451 1.00 32.55 C ATOM 919 O TYR A 58 3.161 -5.533 2.656 1.00 45.20 O ATOM 920 CB TYR A 58 1.298 -5.416 -0.071 1.00 13.13 C ATOM 921 CG TYR A 58 0.064 -4.747 -0.639 1.00 15.13 C ATOM 922 CD1 TYR A 58 -0.530 -3.665 -0.002 1.00 52.11 C ATOM 923 CD2 TYR A 58 -0.516 -5.219 -1.811 1.00 35.31 C ATOM 924 CE1 TYR A 58 -1.667 -3.073 -0.518 1.00 13.45 C ATOM 925 CE2 TYR A 58 -1.651 -4.630 -2.333 1.00 62.23 C ATOM 926 CZ TYR A 58 -2.223 -3.558 -1.684 1.00 62.23 C ATOM 927 OH TYR A 58 -3.354 -2.972 -2.204 1.00 34.23 O ATOM 0 H TYR A 58 2.666 -3.625 -1.168 1.00 12.23 H new ATOM 0 HA TYR A 58 1.644 -3.905 1.410 1.00 62.11 H new ATOM 0 HB2 TYR A 58 1.855 -5.873 -0.889 1.00 13.13 H new ATOM 0 HB3 TYR A 58 0.984 -6.223 0.591 1.00 13.13 H new ATOM 0 HD1 TYR A 58 -0.097 -3.281 0.910 1.00 52.11 H new ATOM 0 HD2 TYR A 58 -0.072 -6.060 -2.322 1.00 35.31 H new ATOM 0 HE1 TYR A 58 -2.119 -2.234 -0.010 1.00 13.45 H new ATOM 0 HE2 TYR A 58 -2.088 -5.008 -3.245 1.00 62.23 H new ATOM 0 HH TYR A 58 -3.613 -3.435 -3.028 1.00 34.23 H new ATOM 937 N GLN A 59 4.287 -5.766 0.722 1.00 73.32 N ATOM 938 CA GLN A 59 5.369 -6.554 1.295 1.00 43.20 C ATOM 939 C GLN A 59 6.080 -5.782 2.406 1.00 15.44 C ATOM 940 O GLN A 59 6.425 -6.349 3.442 1.00 75.32 O ATOM 941 CB GLN A 59 6.366 -6.939 0.199 1.00 0.21 C ATOM 942 CG GLN A 59 7.553 -7.754 0.688 1.00 52.24 C ATOM 943 CD GLN A 59 7.144 -9.053 1.351 1.00 55.33 C ATOM 944 OE1 GLN A 59 6.984 -10.079 0.691 1.00 33.01 O ATOM 945 NE2 GLN A 59 6.993 -9.021 2.664 1.00 74.52 N ATOM 0 H GLN A 59 4.383 -5.593 -0.279 1.00 73.32 H new ATOM 0 HA GLN A 59 4.944 -7.458 1.730 1.00 43.20 H new ATOM 0 HB2 GLN A 59 5.842 -7.508 -0.569 1.00 0.21 H new ATOM 0 HB3 GLN A 59 6.736 -6.030 -0.275 1.00 0.21 H new ATOM 0 HG2 GLN A 59 8.209 -7.973 -0.155 1.00 52.24 H new ATOM 0 HG3 GLN A 59 8.130 -7.158 1.394 1.00 52.24 H new ATOM 0 HE21 GLN A 59 7.135 -8.148 3.173 1.00 74.52 H new ATOM 0 HE22 GLN A 59 6.734 -9.869 3.168 1.00 74.52 H new ATOM 954 N SER A 60 6.277 -4.486 2.192 1.00 74.04 N ATOM 955 CA SER A 60 6.958 -3.645 3.168 1.00 1.11 C ATOM 956 C SER A 60 6.156 -3.559 4.469 1.00 10.14 C ATOM 957 O SER A 60 6.730 -3.448 5.555 1.00 55.22 O ATOM 958 CB SER A 60 7.201 -2.249 2.589 1.00 22.35 C ATOM 959 OG SER A 60 8.016 -2.315 1.427 1.00 22.24 O ATOM 0 H SER A 60 5.974 -3.995 1.351 1.00 74.04 H new ATOM 0 HA SER A 60 7.922 -4.098 3.397 1.00 1.11 H new ATOM 0 HB2 SER A 60 6.247 -1.782 2.343 1.00 22.35 H new ATOM 0 HB3 SER A 60 7.680 -1.619 3.338 1.00 22.35 H new ATOM 0 HG SER A 60 7.524 -2.762 0.707 1.00 22.24 H new ATOM 965 N ALA A 61 4.832 -3.620 4.357 1.00 73.14 N ATOM 966 CA ALA A 61 3.971 -3.635 5.531 1.00 72.41 C ATOM 967 C ALA A 61 4.111 -4.953 6.285 1.00 70.52 C ATOM 968 O ALA A 61 4.161 -4.976 7.516 1.00 13.14 O ATOM 969 CB ALA A 61 2.524 -3.414 5.128 1.00 52.15 C ATOM 0 H ALA A 61 4.335 -3.660 3.467 1.00 73.14 H new ATOM 0 HA ALA A 61 4.280 -2.825 6.191 1.00 72.41 H new ATOM 0 HB1 ALA A 61 1.893 -3.428 6.016 1.00 52.15 H new ATOM 0 HB2 ALA A 61 2.428 -2.449 4.630 1.00 52.15 H new ATOM 0 HB3 ALA A 61 2.211 -4.206 4.448 1.00 52.15 H new ATOM 975 N ILE A 62 4.194 -6.045 5.531 1.00 14.25 N ATOM 976 CA ILE A 62 4.301 -7.380 6.111 1.00 4.20 C ATOM 977 C ILE A 62 5.633 -7.558 6.839 1.00 21.40 C ATOM 978 O ILE A 62 5.716 -8.275 7.837 1.00 4.21 O ATOM 979 CB ILE A 62 4.165 -8.474 5.030 1.00 31.20 C ATOM 980 CG1 ILE A 62 2.924 -8.221 4.173 1.00 5.31 C ATOM 981 CG2 ILE A 62 4.089 -9.845 5.682 1.00 44.01 C ATOM 982 CD1 ILE A 62 2.768 -9.187 3.022 1.00 32.35 C ATOM 0 H ILE A 62 4.189 -6.031 4.511 1.00 14.25 H new ATOM 0 HA ILE A 62 3.484 -7.483 6.825 1.00 4.20 H new ATOM 0 HB ILE A 62 5.043 -8.442 4.385 1.00 31.20 H new ATOM 0 HG12 ILE A 62 2.039 -8.280 4.806 1.00 5.31 H new ATOM 0 HG13 ILE A 62 2.967 -7.206 3.779 1.00 5.31 H new ATOM 0 HG21 ILE A 62 3.993 -10.610 4.911 1.00 44.01 H new ATOM 0 HG22 ILE A 62 4.996 -10.024 6.260 1.00 44.01 H new ATOM 0 HG23 ILE A 62 3.223 -9.886 6.343 1.00 44.01 H new ATOM 0 HD11 ILE A 62 1.865 -8.943 2.462 1.00 32.35 H new ATOM 0 HD12 ILE A 62 3.634 -9.113 2.365 1.00 32.35 H new ATOM 0 HD13 ILE A 62 2.691 -10.204 3.408 1.00 32.35 H new ATOM 994 N GLU A 63 6.667 -6.895 6.329 1.00 53.50 N ATOM 995 CA GLU A 63 7.988 -6.918 6.954 1.00 41.45 C ATOM 996 C GLU A 63 7.924 -6.352 8.371 1.00 44.35 C ATOM 997 O GLU A 63 8.748 -6.676 9.229 1.00 65.21 O ATOM 998 CB GLU A 63 8.982 -6.100 6.123 1.00 20.12 C ATOM 999 CG GLU A 63 9.269 -6.676 4.746 1.00 2.14 C ATOM 1000 CD GLU A 63 10.019 -7.988 4.806 1.00 43.55 C ATOM 1001 OE1 GLU A 63 11.059 -8.049 5.497 1.00 4.01 O ATOM 1002 OE2 GLU A 63 9.582 -8.959 4.159 1.00 24.40 O ATOM 0 H GLU A 63 6.616 -6.332 5.480 1.00 53.50 H new ATOM 0 HA GLU A 63 8.322 -7.954 7.001 1.00 41.45 H new ATOM 0 HB2 GLU A 63 8.594 -5.088 6.007 1.00 20.12 H new ATOM 0 HB3 GLU A 63 9.919 -6.021 6.674 1.00 20.12 H new ATOM 0 HG2 GLU A 63 8.328 -6.824 4.216 1.00 2.14 H new ATOM 0 HG3 GLU A 63 9.850 -5.956 4.170 1.00 2.14 H new ATOM 1009 N LEU A 64 6.933 -5.508 8.610 1.00 13.33 N ATOM 1010 CA LEU A 64 6.763 -4.878 9.906 1.00 31.11 C ATOM 1011 C LEU A 64 5.744 -5.634 10.745 1.00 4.23 C ATOM 1012 O LEU A 64 6.032 -6.045 11.868 1.00 3.15 O ATOM 1013 CB LEU A 64 6.322 -3.427 9.731 1.00 23.22 C ATOM 1014 CG LEU A 64 7.306 -2.546 8.963 1.00 32.52 C ATOM 1015 CD1 LEU A 64 6.731 -1.155 8.764 1.00 14.15 C ATOM 1016 CD2 LEU A 64 8.638 -2.474 9.693 1.00 13.02 C ATOM 0 H LEU A 64 6.232 -5.244 7.918 1.00 13.33 H new ATOM 0 HA LEU A 64 7.721 -4.900 10.425 1.00 31.11 H new ATOM 0 HB2 LEU A 64 5.363 -3.413 9.213 1.00 23.22 H new ATOM 0 HB3 LEU A 64 6.158 -2.991 10.716 1.00 23.22 H new ATOM 0 HG LEU A 64 7.475 -2.991 7.983 1.00 32.52 H new ATOM 0 HD11 LEU A 64 7.445 -0.541 8.215 1.00 14.15 H new ATOM 0 HD12 LEU A 64 5.801 -1.223 8.199 1.00 14.15 H new ATOM 0 HD13 LEU A 64 6.533 -0.701 9.735 1.00 14.15 H new ATOM 0 HD21 LEU A 64 9.327 -1.842 9.132 1.00 13.02 H new ATOM 0 HD22 LEU A 64 8.486 -2.052 10.686 1.00 13.02 H new ATOM 0 HD23 LEU A 64 9.057 -3.476 9.785 1.00 13.02 H new ATOM 1028 N ASN A 65 4.558 -5.824 10.191 1.00 34.13 N ATOM 1029 CA ASN A 65 3.480 -6.488 10.908 1.00 74.23 C ATOM 1030 C ASN A 65 3.031 -7.741 10.158 1.00 73.32 C ATOM 1031 O ASN A 65 2.504 -7.662 9.049 1.00 21.10 O ATOM 1032 CB ASN A 65 2.308 -5.516 11.110 1.00 11.13 C ATOM 1033 CG ASN A 65 1.107 -6.148 11.793 1.00 34.34 C ATOM 1034 OD1 ASN A 65 1.227 -7.147 12.505 1.00 33.55 O ATOM 1035 ND2 ASN A 65 -0.062 -5.555 11.593 1.00 40.02 N ATOM 0 H ASN A 65 4.316 -5.528 9.245 1.00 34.13 H new ATOM 0 HA ASN A 65 3.843 -6.797 11.888 1.00 74.23 H new ATOM 0 HB2 ASN A 65 2.648 -4.667 11.703 1.00 11.13 H new ATOM 0 HB3 ASN A 65 2.000 -5.124 10.141 1.00 11.13 H new ATOM 0 HD21 ASN A 65 -0.903 -5.924 12.036 1.00 40.02 H new ATOM 0 HD22 ASN A 65 -0.120 -4.730 10.996 1.00 40.02 H new ATOM 1042 N PRO A 66 3.255 -8.921 10.759 1.00 64.32 N ATOM 1043 CA PRO A 66 2.902 -10.207 10.151 1.00 65.33 C ATOM 1044 C PRO A 66 1.394 -10.446 10.138 1.00 14.24 C ATOM 1045 O PRO A 66 0.900 -11.347 9.454 1.00 35.40 O ATOM 1046 CB PRO A 66 3.597 -11.246 11.046 1.00 50.13 C ATOM 1047 CG PRO A 66 4.496 -10.467 11.949 1.00 63.05 C ATOM 1048 CD PRO A 66 3.884 -9.104 12.071 1.00 55.31 C ATOM 0 HA PRO A 66 3.213 -10.255 9.107 1.00 65.33 H new ATOM 0 HB2 PRO A 66 2.868 -11.819 11.619 1.00 50.13 H new ATOM 0 HB3 PRO A 66 4.165 -11.959 10.449 1.00 50.13 H new ATOM 0 HG2 PRO A 66 4.578 -10.946 12.925 1.00 63.05 H new ATOM 0 HG3 PRO A 66 5.504 -10.406 11.538 1.00 63.05 H new ATOM 0 HD2 PRO A 66 3.156 -9.057 12.881 1.00 55.31 H new ATOM 0 HD3 PRO A 66 4.634 -8.339 12.272 1.00 55.31 H new ATOM 1056 N ASP A 67 0.664 -9.640 10.894 1.00 54.41 N ATOM 1057 CA ASP A 67 -0.786 -9.753 10.954 1.00 73.34 C ATOM 1058 C ASP A 67 -1.426 -8.587 10.203 1.00 71.15 C ATOM 1059 O ASP A 67 -2.623 -8.320 10.322 1.00 72.53 O ATOM 1060 CB ASP A 67 -1.248 -9.785 12.414 1.00 20.03 C ATOM 1061 CG ASP A 67 -2.736 -10.033 12.557 1.00 62.15 C ATOM 1062 OD1 ASP A 67 -3.240 -11.026 11.985 1.00 44.00 O ATOM 1063 OD2 ASP A 67 -3.407 -9.255 13.265 1.00 10.14 O ATOM 0 H ASP A 67 1.053 -8.898 11.476 1.00 54.41 H new ATOM 0 HA ASP A 67 -1.098 -10.682 10.478 1.00 73.34 H new ATOM 0 HB2 ASP A 67 -0.702 -10.565 12.945 1.00 20.03 H new ATOM 0 HB3 ASP A 67 -0.995 -8.838 12.890 1.00 20.03 H new ATOM 1068 N SER A 68 -0.608 -7.904 9.416 1.00 22.21 N ATOM 1069 CA SER A 68 -1.060 -6.767 8.628 1.00 35.44 C ATOM 1070 C SER A 68 -2.104 -7.199 7.602 1.00 75.32 C ATOM 1071 O SER A 68 -2.012 -8.282 7.026 1.00 34.24 O ATOM 1072 CB SER A 68 0.136 -6.125 7.917 1.00 3.25 C ATOM 1073 OG SER A 68 -0.240 -4.958 7.208 1.00 54.44 O ATOM 0 H SER A 68 0.383 -8.121 9.306 1.00 22.21 H new ATOM 0 HA SER A 68 -1.519 -6.040 9.298 1.00 35.44 H new ATOM 0 HB2 SER A 68 0.903 -5.874 8.650 1.00 3.25 H new ATOM 0 HB3 SER A 68 0.577 -6.844 7.227 1.00 3.25 H new ATOM 0 HG SER A 68 -0.250 -4.193 7.820 1.00 54.44 H new ATOM 1079 N PRO A 69 -3.120 -6.357 7.359 1.00 74.53 N ATOM 1080 CA PRO A 69 -4.120 -6.610 6.320 1.00 0.01 C ATOM 1081 C PRO A 69 -3.482 -6.641 4.933 1.00 3.11 C ATOM 1082 O PRO A 69 -4.079 -7.116 3.964 1.00 40.10 O ATOM 1083 CB PRO A 69 -5.089 -5.428 6.447 1.00 44.41 C ATOM 1084 CG PRO A 69 -4.325 -4.373 7.174 1.00 40.10 C ATOM 1085 CD PRO A 69 -3.382 -5.102 8.085 1.00 15.42 C ATOM 0 HA PRO A 69 -4.611 -7.576 6.441 1.00 0.01 H new ATOM 0 HB2 PRO A 69 -5.412 -5.076 5.467 1.00 44.41 H new ATOM 0 HB3 PRO A 69 -5.987 -5.712 6.995 1.00 44.41 H new ATOM 0 HG2 PRO A 69 -3.781 -3.735 6.478 1.00 40.10 H new ATOM 0 HG3 PRO A 69 -4.995 -3.727 7.741 1.00 40.10 H new ATOM 0 HD2 PRO A 69 -2.466 -4.536 8.254 1.00 15.42 H new ATOM 0 HD3 PRO A 69 -3.828 -5.287 9.062 1.00 15.42 H new ATOM 1093 N ALA A 70 -2.247 -6.150 4.857 1.00 2.21 N ATOM 1094 CA ALA A 70 -1.501 -6.111 3.610 1.00 71.32 C ATOM 1095 C ALA A 70 -1.208 -7.515 3.090 1.00 20.24 C ATOM 1096 O ALA A 70 -0.983 -7.704 1.897 1.00 53.40 O ATOM 1097 CB ALA A 70 -0.206 -5.337 3.795 1.00 25.42 C ATOM 0 H ALA A 70 -1.741 -5.770 5.657 1.00 2.21 H new ATOM 0 HA ALA A 70 -2.117 -5.603 2.868 1.00 71.32 H new ATOM 0 HB1 ALA A 70 0.343 -5.316 2.853 1.00 25.42 H new ATOM 0 HB2 ALA A 70 -0.433 -4.317 4.106 1.00 25.42 H new ATOM 0 HB3 ALA A 70 0.402 -5.822 4.558 1.00 25.42 H new ATOM 1103 N LEU A 71 -1.219 -8.498 3.985 1.00 54.50 N ATOM 1104 CA LEU A 71 -0.987 -9.879 3.589 1.00 15.15 C ATOM 1105 C LEU A 71 -2.082 -10.359 2.648 1.00 2.24 C ATOM 1106 O LEU A 71 -1.805 -10.935 1.597 1.00 31.40 O ATOM 1107 CB LEU A 71 -0.924 -10.804 4.804 1.00 63.42 C ATOM 1108 CG LEU A 71 0.433 -10.890 5.506 1.00 64.04 C ATOM 1109 CD1 LEU A 71 0.644 -9.699 6.427 1.00 0.43 C ATOM 1110 CD2 LEU A 71 0.557 -12.200 6.272 1.00 14.44 C ATOM 0 H LEU A 71 -1.385 -8.364 4.982 1.00 54.50 H new ATOM 0 HA LEU A 71 -0.026 -9.911 3.075 1.00 15.15 H new ATOM 0 HB2 LEU A 71 -1.667 -10.471 5.529 1.00 63.42 H new ATOM 0 HB3 LEU A 71 -1.213 -11.807 4.489 1.00 63.42 H new ATOM 0 HG LEU A 71 1.213 -10.866 4.745 1.00 64.04 H new ATOM 0 HD11 LEU A 71 1.615 -9.783 6.914 1.00 0.43 H new ATOM 0 HD12 LEU A 71 0.609 -8.778 5.845 1.00 0.43 H new ATOM 0 HD13 LEU A 71 -0.141 -9.680 7.183 1.00 0.43 H new ATOM 0 HD21 LEU A 71 1.528 -12.243 6.764 1.00 14.44 H new ATOM 0 HD22 LEU A 71 -0.233 -12.260 7.021 1.00 14.44 H new ATOM 0 HD23 LEU A 71 0.464 -13.037 5.580 1.00 14.44 H new ATOM 1122 N GLN A 72 -3.327 -10.095 3.025 1.00 51.22 N ATOM 1123 CA GLN A 72 -4.474 -10.534 2.242 1.00 33.21 C ATOM 1124 C GLN A 72 -4.542 -9.762 0.931 1.00 2.54 C ATOM 1125 O GLN A 72 -5.006 -10.275 -0.088 1.00 71.15 O ATOM 1126 CB GLN A 72 -5.773 -10.349 3.039 1.00 0.33 C ATOM 1127 CG GLN A 72 -5.713 -10.919 4.450 1.00 52.23 C ATOM 1128 CD GLN A 72 -5.250 -12.363 4.493 1.00 61.11 C ATOM 1129 OE1 GLN A 72 -5.459 -13.128 3.554 1.00 10.13 O ATOM 1130 NE2 GLN A 72 -4.613 -12.742 5.587 1.00 3.31 N ATOM 0 H GLN A 72 -3.568 -9.578 3.870 1.00 51.22 H new ATOM 0 HA GLN A 72 -4.356 -11.594 2.018 1.00 33.21 H new ATOM 0 HB2 GLN A 72 -6.005 -9.286 3.096 1.00 0.33 H new ATOM 0 HB3 GLN A 72 -6.591 -10.825 2.499 1.00 0.33 H new ATOM 0 HG2 GLN A 72 -5.039 -10.310 5.052 1.00 52.23 H new ATOM 0 HG3 GLN A 72 -6.700 -10.847 4.906 1.00 52.23 H new ATOM 0 HE21 GLN A 72 -4.460 -12.076 6.344 1.00 3.31 H new ATOM 0 HE22 GLN A 72 -4.275 -13.700 5.674 1.00 3.31 H new ATOM 1139 N ALA A 73 -4.066 -8.525 0.964 1.00 60.22 N ATOM 1140 CA ALA A 73 -4.035 -7.687 -0.224 1.00 12.35 C ATOM 1141 C ALA A 73 -2.941 -8.146 -1.185 1.00 12.24 C ATOM 1142 O ALA A 73 -3.124 -8.135 -2.403 1.00 62.01 O ATOM 1143 CB ALA A 73 -3.831 -6.231 0.165 1.00 14.20 C ATOM 0 H ALA A 73 -3.695 -8.080 1.803 1.00 60.22 H new ATOM 0 HA ALA A 73 -4.993 -7.780 -0.736 1.00 12.35 H new ATOM 0 HB1 ALA A 73 -3.810 -5.614 -0.733 1.00 14.20 H new ATOM 0 HB2 ALA A 73 -4.650 -5.908 0.808 1.00 14.20 H new ATOM 0 HB3 ALA A 73 -2.887 -6.126 0.700 1.00 14.20 H new ATOM 1149 N ARG A 74 -1.804 -8.557 -0.630 1.00 72.33 N ATOM 1150 CA ARG A 74 -0.700 -9.063 -1.439 1.00 2.33 C ATOM 1151 C ARG A 74 -1.110 -10.348 -2.153 1.00 12.53 C ATOM 1152 O ARG A 74 -0.805 -10.534 -3.334 1.00 5.23 O ATOM 1153 CB ARG A 74 0.536 -9.316 -0.575 1.00 54.30 C ATOM 1154 CG ARG A 74 1.767 -9.712 -1.375 1.00 43.23 C ATOM 1155 CD ARG A 74 2.927 -10.075 -0.463 1.00 15.51 C ATOM 1156 NE ARG A 74 4.128 -10.437 -1.213 1.00 1.44 N ATOM 1157 CZ ARG A 74 4.778 -11.590 -1.067 1.00 72.44 C ATOM 1158 NH1 ARG A 74 4.336 -12.507 -0.216 1.00 1.31 N ATOM 1159 NH2 ARG A 74 5.879 -11.821 -1.772 1.00 62.21 N ATOM 0 H ARG A 74 -1.624 -8.550 0.374 1.00 72.33 H new ATOM 0 HA ARG A 74 -0.452 -8.307 -2.184 1.00 2.33 H new ATOM 0 HB2 ARG A 74 0.759 -8.416 -0.002 1.00 54.30 H new ATOM 0 HB3 ARG A 74 0.311 -10.104 0.144 1.00 54.30 H new ATOM 0 HG2 ARG A 74 1.528 -10.559 -2.018 1.00 43.23 H new ATOM 0 HG3 ARG A 74 2.059 -8.889 -2.028 1.00 43.23 H new ATOM 0 HD2 ARG A 74 3.150 -9.232 0.191 1.00 15.51 H new ATOM 0 HD3 ARG A 74 2.636 -10.908 0.178 1.00 15.51 H new ATOM 0 HE ARG A 74 4.490 -9.765 -1.890 1.00 1.44 H new ATOM 0 HH11 ARG A 74 3.493 -12.331 0.331 1.00 1.31 H new ATOM 0 HH12 ARG A 74 4.839 -13.388 -0.109 1.00 1.31 H new ATOM 0 HH21 ARG A 74 6.225 -11.116 -2.423 1.00 62.21 H new ATOM 0 HH22 ARG A 74 6.379 -12.703 -1.662 1.00 62.21 H new ATOM 1173 N LYS A 75 -1.804 -11.231 -1.432 1.00 31.45 N ATOM 1174 CA LYS A 75 -2.333 -12.459 -2.025 1.00 64.42 C ATOM 1175 C LYS A 75 -3.246 -12.118 -3.196 1.00 61.24 C ATOM 1176 O LYS A 75 -3.190 -12.751 -4.253 1.00 71.42 O ATOM 1177 CB LYS A 75 -3.133 -13.272 -1.000 1.00 72.33 C ATOM 1178 CG LYS A 75 -2.349 -13.704 0.226 1.00 55.42 C ATOM 1179 CD LYS A 75 -3.216 -14.572 1.125 1.00 52.42 C ATOM 1180 CE LYS A 75 -2.556 -14.851 2.462 1.00 34.34 C ATOM 1181 NZ LYS A 75 -3.410 -15.710 3.328 1.00 40.22 N ATOM 0 H LYS A 75 -2.012 -11.118 -0.440 1.00 31.45 H new ATOM 0 HA LYS A 75 -1.486 -13.054 -2.366 1.00 64.42 H new ATOM 0 HB2 LYS A 75 -3.988 -12.679 -0.676 1.00 72.33 H new ATOM 0 HB3 LYS A 75 -3.529 -14.161 -1.492 1.00 72.33 H new ATOM 0 HG2 LYS A 75 -1.460 -14.257 -0.078 1.00 55.42 H new ATOM 0 HG3 LYS A 75 -2.007 -12.827 0.775 1.00 55.42 H new ATOM 0 HD2 LYS A 75 -4.173 -14.078 1.290 1.00 52.42 H new ATOM 0 HD3 LYS A 75 -3.427 -15.516 0.622 1.00 52.42 H new ATOM 0 HE2 LYS A 75 -1.595 -15.339 2.299 1.00 34.34 H new ATOM 0 HE3 LYS A 75 -2.352 -13.909 2.971 1.00 34.34 H new ATOM 0 HZ1 LYS A 75 -2.880 -15.977 4.182 1.00 40.22 H new ATOM 0 HZ2 LYS A 75 -4.266 -15.186 3.601 1.00 40.22 H new ATOM 0 HZ3 LYS A 75 -3.681 -16.568 2.806 1.00 40.22 H new ATOM 1195 N MET A 76 -4.076 -11.101 -2.985 1.00 42.43 N ATOM 1196 CA MET A 76 -5.021 -10.639 -3.992 1.00 40.33 C ATOM 1197 C MET A 76 -4.302 -10.268 -5.283 1.00 32.24 C ATOM 1198 O MET A 76 -4.676 -10.724 -6.362 1.00 62.20 O ATOM 1199 CB MET A 76 -5.786 -9.422 -3.469 1.00 43.41 C ATOM 1200 CG MET A 76 -6.824 -8.896 -4.439 1.00 74.32 C ATOM 1201 SD MET A 76 -7.218 -7.162 -4.148 1.00 43.23 S ATOM 1202 CE MET A 76 -5.664 -6.397 -4.612 1.00 44.45 C ATOM 0 H MET A 76 -4.111 -10.575 -2.112 1.00 42.43 H new ATOM 0 HA MET A 76 -5.719 -11.450 -4.201 1.00 40.33 H new ATOM 0 HB2 MET A 76 -6.277 -9.687 -2.533 1.00 43.41 H new ATOM 0 HB3 MET A 76 -5.076 -8.627 -3.243 1.00 43.41 H new ATOM 0 HG2 MET A 76 -6.459 -9.017 -5.459 1.00 74.32 H new ATOM 0 HG3 MET A 76 -7.733 -9.492 -4.353 1.00 74.32 H new ATOM 0 HE1 MET A 76 -5.221 -5.915 -3.741 1.00 44.45 H new ATOM 0 HE2 MET A 76 -4.982 -7.159 -4.990 1.00 44.45 H new ATOM 0 HE3 MET A 76 -5.842 -5.652 -5.388 1.00 44.45 H new ATOM 1212 N VAL A 77 -3.259 -9.452 -5.164 1.00 54.30 N ATOM 1213 CA VAL A 77 -2.527 -8.973 -6.331 1.00 1.15 C ATOM 1214 C VAL A 77 -1.874 -10.127 -7.085 1.00 51.04 C ATOM 1215 O VAL A 77 -1.955 -10.192 -8.309 1.00 34.14 O ATOM 1216 CB VAL A 77 -1.447 -7.939 -5.952 1.00 22.44 C ATOM 1217 CG1 VAL A 77 -0.738 -7.423 -7.198 1.00 71.12 C ATOM 1218 CG2 VAL A 77 -2.059 -6.787 -5.174 1.00 72.03 C ATOM 0 H VAL A 77 -2.902 -9.109 -4.272 1.00 54.30 H new ATOM 0 HA VAL A 77 -3.260 -8.488 -6.976 1.00 1.15 H new ATOM 0 HB VAL A 77 -0.711 -8.431 -5.316 1.00 22.44 H new ATOM 0 HG11 VAL A 77 0.020 -6.695 -6.910 1.00 71.12 H new ATOM 0 HG12 VAL A 77 -0.263 -8.255 -7.717 1.00 71.12 H new ATOM 0 HG13 VAL A 77 -1.463 -6.949 -7.859 1.00 71.12 H new ATOM 0 HG21 VAL A 77 -1.281 -6.068 -4.916 1.00 72.03 H new ATOM 0 HG22 VAL A 77 -2.817 -6.297 -5.785 1.00 72.03 H new ATOM 0 HG23 VAL A 77 -2.519 -7.167 -4.262 1.00 72.03 H new ATOM 1228 N MET A 78 -1.245 -11.040 -6.348 1.00 4.24 N ATOM 1229 CA MET A 78 -0.608 -12.210 -6.956 1.00 32.52 C ATOM 1230 C MET A 78 -1.622 -13.021 -7.754 1.00 4.23 C ATOM 1231 O MET A 78 -1.349 -13.456 -8.872 1.00 1.23 O ATOM 1232 CB MET A 78 0.031 -13.097 -5.884 1.00 1.33 C ATOM 1233 CG MET A 78 1.240 -12.472 -5.210 1.00 61.54 C ATOM 1234 SD MET A 78 2.592 -12.169 -6.361 1.00 15.14 S ATOM 1235 CE MET A 78 3.836 -11.527 -5.247 1.00 21.31 C ATOM 0 H MET A 78 -1.162 -10.994 -5.332 1.00 4.24 H new ATOM 0 HA MET A 78 0.171 -11.854 -7.631 1.00 32.52 H new ATOM 0 HB2 MET A 78 -0.716 -13.329 -5.125 1.00 1.33 H new ATOM 0 HB3 MET A 78 0.328 -14.042 -6.338 1.00 1.33 H new ATOM 0 HG2 MET A 78 0.946 -11.531 -4.744 1.00 61.54 H new ATOM 0 HG3 MET A 78 1.587 -13.128 -4.412 1.00 61.54 H new ATOM 0 HE1 MET A 78 4.375 -10.714 -5.733 1.00 21.31 H new ATOM 0 HE2 MET A 78 3.356 -11.155 -4.342 1.00 21.31 H new ATOM 0 HE3 MET A 78 4.536 -12.321 -4.986 1.00 21.31 H new ATOM 1245 N ASP A 79 -2.800 -13.201 -7.172 1.00 24.44 N ATOM 1246 CA ASP A 79 -3.879 -13.936 -7.823 1.00 60.31 C ATOM 1247 C ASP A 79 -4.377 -13.193 -9.061 1.00 12.21 C ATOM 1248 O ASP A 79 -4.620 -13.803 -10.100 1.00 31.43 O ATOM 1249 CB ASP A 79 -5.024 -14.174 -6.838 1.00 11.42 C ATOM 1250 CG ASP A 79 -6.242 -14.796 -7.493 1.00 73.21 C ATOM 1251 OD1 ASP A 79 -6.143 -15.936 -7.991 1.00 25.10 O ATOM 1252 OD2 ASP A 79 -7.308 -14.145 -7.508 1.00 42.11 O ATOM 0 H ASP A 79 -3.035 -12.846 -6.245 1.00 24.44 H new ATOM 0 HA ASP A 79 -3.491 -14.902 -8.147 1.00 60.31 H new ATOM 0 HB2 ASP A 79 -4.677 -14.824 -6.035 1.00 11.42 H new ATOM 0 HB3 ASP A 79 -5.307 -13.226 -6.381 1.00 11.42 H new ATOM 1257 N ILE A 80 -4.507 -11.873 -8.948 1.00 61.22 N ATOM 1258 CA ILE A 80 -4.915 -11.042 -10.079 1.00 33.32 C ATOM 1259 C ILE A 80 -3.871 -11.104 -11.192 1.00 12.34 C ATOM 1260 O ILE A 80 -4.207 -11.238 -12.369 1.00 63.15 O ATOM 1261 CB ILE A 80 -5.135 -9.571 -9.655 1.00 73.02 C ATOM 1262 CG1 ILE A 80 -6.276 -9.477 -8.640 1.00 54.44 C ATOM 1263 CG2 ILE A 80 -5.431 -8.694 -10.865 1.00 35.42 C ATOM 1264 CD1 ILE A 80 -6.493 -8.081 -8.096 1.00 44.10 C ATOM 0 H ILE A 80 -4.336 -11.356 -8.086 1.00 61.22 H new ATOM 0 HA ILE A 80 -5.862 -11.437 -10.447 1.00 33.32 H new ATOM 0 HB ILE A 80 -4.218 -9.210 -9.189 1.00 73.02 H new ATOM 0 HG12 ILE A 80 -7.197 -9.822 -9.109 1.00 54.44 H new ATOM 0 HG13 ILE A 80 -6.069 -10.153 -7.810 1.00 54.44 H new ATOM 0 HG21 ILE A 80 -5.582 -7.665 -10.540 1.00 35.42 H new ATOM 0 HG22 ILE A 80 -4.592 -8.736 -11.559 1.00 35.42 H new ATOM 0 HG23 ILE A 80 -6.332 -9.053 -11.363 1.00 35.42 H new ATOM 0 HD11 ILE A 80 -7.317 -8.092 -7.383 1.00 44.10 H new ATOM 0 HD12 ILE A 80 -5.586 -7.740 -7.597 1.00 44.10 H new ATOM 0 HD13 ILE A 80 -6.732 -7.404 -8.916 1.00 44.10 H new ATOM 1276 N LEU A 81 -2.604 -11.014 -10.809 1.00 12.41 N ATOM 1277 CA LEU A 81 -1.505 -11.149 -11.758 1.00 14.43 C ATOM 1278 C LEU A 81 -1.553 -12.494 -12.469 1.00 44.22 C ATOM 1279 O LEU A 81 -1.417 -12.558 -13.690 1.00 73.03 O ATOM 1280 CB LEU A 81 -0.164 -10.987 -11.050 1.00 71.11 C ATOM 1281 CG LEU A 81 0.173 -9.558 -10.635 1.00 12.32 C ATOM 1282 CD1 LEU A 81 1.478 -9.522 -9.858 1.00 1.50 C ATOM 1283 CD2 LEU A 81 0.253 -8.662 -11.862 1.00 23.52 C ATOM 0 H LEU A 81 -2.311 -10.848 -9.846 1.00 12.41 H new ATOM 0 HA LEU A 81 -1.613 -10.361 -12.503 1.00 14.43 H new ATOM 0 HB2 LEU A 81 -0.160 -11.619 -10.162 1.00 71.11 H new ATOM 0 HB3 LEU A 81 0.624 -11.355 -11.707 1.00 71.11 H new ATOM 0 HG LEU A 81 -0.619 -9.186 -9.985 1.00 12.32 H new ATOM 0 HD11 LEU A 81 1.702 -8.495 -9.570 1.00 1.50 H new ATOM 0 HD12 LEU A 81 1.386 -10.137 -8.963 1.00 1.50 H new ATOM 0 HD13 LEU A 81 2.284 -9.908 -10.482 1.00 1.50 H new ATOM 0 HD21 LEU A 81 0.494 -7.644 -11.554 1.00 23.52 H new ATOM 0 HD22 LEU A 81 1.029 -9.032 -12.533 1.00 23.52 H new ATOM 0 HD23 LEU A 81 -0.706 -8.667 -12.379 1.00 23.52 H new ATOM 1295 N ASN A 82 -1.755 -13.557 -11.697 1.00 52.43 N ATOM 1296 CA ASN A 82 -1.891 -14.905 -12.249 1.00 11.14 C ATOM 1297 C ASN A 82 -3.093 -14.982 -13.189 1.00 33.43 C ATOM 1298 O ASN A 82 -3.076 -15.707 -14.185 1.00 22.12 O ATOM 1299 CB ASN A 82 -2.033 -15.924 -11.111 1.00 2.01 C ATOM 1300 CG ASN A 82 -2.381 -17.316 -11.603 1.00 10.11 C ATOM 1301 OD1 ASN A 82 -3.557 -17.672 -11.710 1.00 64.14 O ATOM 1302 ND2 ASN A 82 -1.367 -18.119 -11.885 1.00 63.21 N ATOM 0 H ASN A 82 -1.829 -13.512 -10.681 1.00 52.43 H new ATOM 0 HA ASN A 82 -0.995 -15.141 -12.823 1.00 11.14 H new ATOM 0 HB2 ASN A 82 -1.100 -15.966 -10.549 1.00 2.01 H new ATOM 0 HB3 ASN A 82 -2.805 -15.585 -10.421 1.00 2.01 H new ATOM 0 HD21 ASN A 82 -1.544 -19.071 -12.204 1.00 63.21 H new ATOM 0 HD22 ASN A 82 -0.409 -17.785 -11.783 1.00 63.21 H new ATOM 1309 N PHE A 83 -4.131 -14.220 -12.863 1.00 11.21 N ATOM 1310 CA PHE A 83 -5.334 -14.150 -13.683 1.00 34.52 C ATOM 1311 C PHE A 83 -5.019 -13.511 -15.036 1.00 43.14 C ATOM 1312 O PHE A 83 -5.658 -13.817 -16.043 1.00 33.43 O ATOM 1313 CB PHE A 83 -6.421 -13.358 -12.946 1.00 70.54 C ATOM 1314 CG PHE A 83 -7.751 -13.338 -13.642 1.00 10.23 C ATOM 1315 CD1 PHE A 83 -8.545 -14.472 -13.681 1.00 40.15 C ATOM 1316 CD2 PHE A 83 -8.214 -12.179 -14.243 1.00 14.33 C ATOM 1317 CE1 PHE A 83 -9.774 -14.451 -14.311 1.00 14.42 C ATOM 1318 CE2 PHE A 83 -9.442 -12.153 -14.875 1.00 44.53 C ATOM 1319 CZ PHE A 83 -10.223 -13.290 -14.906 1.00 33.34 C ATOM 0 H PHE A 83 -4.162 -13.636 -12.027 1.00 11.21 H new ATOM 0 HA PHE A 83 -5.702 -15.160 -13.863 1.00 34.52 H new ATOM 0 HB2 PHE A 83 -6.551 -13.783 -11.951 1.00 70.54 H new ATOM 0 HB3 PHE A 83 -6.079 -12.332 -12.812 1.00 70.54 H new ATOM 0 HD1 PHE A 83 -8.200 -15.382 -13.214 1.00 40.15 H new ATOM 0 HD2 PHE A 83 -7.608 -11.285 -14.217 1.00 14.33 H new ATOM 0 HE1 PHE A 83 -10.383 -15.343 -14.338 1.00 14.42 H new ATOM 0 HE2 PHE A 83 -9.790 -11.245 -15.344 1.00 44.53 H new ATOM 0 HZ PHE A 83 -11.185 -13.271 -15.396 1.00 33.34 H new ATOM 1329 N TYR A 84 -4.029 -12.624 -15.052 1.00 11.43 N ATOM 1330 CA TYR A 84 -3.558 -12.029 -16.296 1.00 53.02 C ATOM 1331 C TYR A 84 -2.638 -12.995 -17.042 1.00 62.12 C ATOM 1332 O TYR A 84 -2.906 -13.354 -18.190 1.00 20.00 O ATOM 1333 CB TYR A 84 -2.820 -10.711 -16.037 1.00 11.04 C ATOM 1334 CG TYR A 84 -3.723 -9.550 -15.685 1.00 64.10 C ATOM 1335 CD1 TYR A 84 -4.582 -9.003 -16.629 1.00 64.23 C ATOM 1336 CD2 TYR A 84 -3.702 -8.987 -14.415 1.00 0.54 C ATOM 1337 CE1 TYR A 84 -5.396 -7.930 -16.318 1.00 71.10 C ATOM 1338 CE2 TYR A 84 -4.517 -7.916 -14.096 1.00 35.21 C ATOM 1339 CZ TYR A 84 -5.362 -7.391 -15.051 1.00 62.31 C ATOM 1340 OH TYR A 84 -6.172 -6.318 -14.739 1.00 1.33 O ATOM 0 H TYR A 84 -3.538 -12.302 -14.218 1.00 11.43 H new ATOM 0 HA TYR A 84 -4.433 -11.821 -16.912 1.00 53.02 H new ATOM 0 HB2 TYR A 84 -2.107 -10.861 -15.226 1.00 11.04 H new ATOM 0 HB3 TYR A 84 -2.243 -10.451 -16.924 1.00 11.04 H new ATOM 0 HD1 TYR A 84 -4.615 -9.423 -17.623 1.00 64.23 H new ATOM 0 HD2 TYR A 84 -3.039 -9.392 -13.665 1.00 0.54 H new ATOM 0 HE1 TYR A 84 -6.056 -7.516 -17.066 1.00 71.10 H new ATOM 0 HE2 TYR A 84 -4.492 -7.493 -13.103 1.00 35.21 H new ATOM 0 HH TYR A 84 -6.027 -6.060 -13.805 1.00 1.33 H new ATOM 1350 N ASN A 85 -1.559 -13.414 -16.387 1.00 24.24 N ATOM 1351 CA ASN A 85 -0.597 -14.334 -16.993 1.00 33.02 C ATOM 1352 C ASN A 85 0.335 -14.910 -15.929 1.00 54.00 C ATOM 1353 O ASN A 85 0.247 -14.559 -14.753 1.00 72.03 O ATOM 1354 CB ASN A 85 0.226 -13.640 -18.090 1.00 20.21 C ATOM 1355 CG ASN A 85 1.179 -12.590 -17.550 1.00 74.32 C ATOM 1356 OD1 ASN A 85 2.315 -12.896 -17.188 1.00 64.35 O ATOM 1357 ND2 ASN A 85 0.736 -11.343 -17.509 1.00 63.13 N ATOM 0 H ASN A 85 -1.327 -13.131 -15.435 1.00 24.24 H new ATOM 0 HA ASN A 85 -1.161 -15.146 -17.452 1.00 33.02 H new ATOM 0 HB2 ASN A 85 0.796 -14.391 -18.637 1.00 20.21 H new ATOM 0 HB3 ASN A 85 -0.453 -13.172 -18.803 1.00 20.21 H new ATOM 0 HD21 ASN A 85 1.343 -10.597 -17.169 1.00 63.13 H new ATOM 0 HD22 ASN A 85 -0.212 -11.128 -17.818 1.00 63.13 H new ATOM 1364 N LYS A 86 1.236 -15.785 -16.349 1.00 62.12 N ATOM 1365 CA LYS A 86 2.130 -16.466 -15.425 1.00 44.31 C ATOM 1366 C LYS A 86 3.579 -16.021 -15.629 1.00 22.22 C ATOM 1367 O LYS A 86 4.375 -16.027 -14.690 1.00 54.42 O ATOM 1368 CB LYS A 86 1.996 -17.982 -15.615 1.00 62.24 C ATOM 1369 CG LYS A 86 2.874 -18.819 -14.697 1.00 33.10 C ATOM 1370 CD LYS A 86 2.579 -18.551 -13.232 1.00 23.45 C ATOM 1371 CE LYS A 86 3.301 -19.534 -12.321 1.00 34.12 C ATOM 1372 NZ LYS A 86 4.748 -19.648 -12.641 1.00 35.23 N ATOM 0 H LYS A 86 1.368 -16.041 -17.328 1.00 62.12 H new ATOM 0 HA LYS A 86 1.849 -16.204 -14.405 1.00 44.31 H new ATOM 0 HB2 LYS A 86 0.955 -18.264 -15.455 1.00 62.24 H new ATOM 0 HB3 LYS A 86 2.238 -18.227 -16.649 1.00 62.24 H new ATOM 0 HG2 LYS A 86 2.719 -19.876 -14.911 1.00 33.10 H new ATOM 0 HG3 LYS A 86 3.923 -18.603 -14.902 1.00 33.10 H new ATOM 0 HD2 LYS A 86 2.880 -17.534 -12.981 1.00 23.45 H new ATOM 0 HD3 LYS A 86 1.505 -18.617 -13.059 1.00 23.45 H new ATOM 0 HE2 LYS A 86 3.185 -19.217 -11.285 1.00 34.12 H new ATOM 0 HE3 LYS A 86 2.834 -20.515 -12.408 1.00 34.12 H new ATOM 0 HZ1 LYS A 86 5.287 -19.794 -11.764 1.00 35.23 H new ATOM 0 HZ2 LYS A 86 4.900 -20.455 -13.279 1.00 35.23 H new ATOM 0 HZ3 LYS A 86 5.071 -18.775 -13.105 1.00 35.23 H new ATOM 1386 N ASP A 87 3.909 -15.599 -16.844 1.00 53.10 N ATOM 1387 CA ASP A 87 5.293 -15.282 -17.195 1.00 72.13 C ATOM 1388 C ASP A 87 5.800 -14.037 -16.480 1.00 73.45 C ATOM 1389 O ASP A 87 6.957 -13.990 -16.071 1.00 14.04 O ATOM 1390 CB ASP A 87 5.456 -15.116 -18.704 1.00 1.34 C ATOM 1391 CG ASP A 87 5.518 -16.448 -19.422 1.00 62.22 C ATOM 1392 OD1 ASP A 87 4.452 -16.963 -19.820 1.00 72.40 O ATOM 1393 OD2 ASP A 87 6.629 -16.989 -19.590 1.00 4.02 O ATOM 0 H ASP A 87 3.240 -15.468 -17.603 1.00 53.10 H new ATOM 0 HA ASP A 87 5.896 -16.127 -16.863 1.00 72.13 H new ATOM 0 HB2 ASP A 87 4.623 -14.532 -19.096 1.00 1.34 H new ATOM 0 HB3 ASP A 87 6.365 -14.551 -18.910 1.00 1.34 H new ATOM 1398 N MET A 88 4.944 -13.037 -16.317 1.00 71.11 N ATOM 1399 CA MET A 88 5.336 -11.823 -15.610 1.00 3.12 C ATOM 1400 C MET A 88 5.624 -12.173 -14.154 1.00 24.31 C ATOM 1401 O MET A 88 6.569 -11.669 -13.548 1.00 50.10 O ATOM 1402 CB MET A 88 4.227 -10.766 -15.716 1.00 24.31 C ATOM 1403 CG MET A 88 4.662 -9.342 -15.374 1.00 34.22 C ATOM 1404 SD MET A 88 4.997 -9.082 -13.619 1.00 62.35 S ATOM 1405 CE MET A 88 3.448 -9.619 -12.905 1.00 42.23 C ATOM 0 H MET A 88 3.983 -13.040 -16.660 1.00 71.11 H new ATOM 0 HA MET A 88 6.236 -11.404 -16.060 1.00 3.12 H new ATOM 0 HB2 MET A 88 3.832 -10.776 -16.732 1.00 24.31 H new ATOM 0 HB3 MET A 88 3.410 -11.050 -15.053 1.00 24.31 H new ATOM 0 HG2 MET A 88 5.558 -9.099 -15.945 1.00 34.22 H new ATOM 0 HG3 MET A 88 3.884 -8.648 -15.692 1.00 34.22 H new ATOM 0 HE1 MET A 88 3.139 -8.913 -12.134 1.00 42.23 H new ATOM 0 HE2 MET A 88 2.685 -9.665 -13.683 1.00 42.23 H new ATOM 0 HE3 MET A 88 3.575 -10.607 -12.462 1.00 42.23 H new ATOM 1415 N TYR A 89 4.825 -13.089 -13.620 1.00 13.14 N ATOM 1416 CA TYR A 89 4.973 -13.530 -12.250 1.00 14.11 C ATOM 1417 C TYR A 89 6.248 -14.358 -12.090 1.00 11.53 C ATOM 1418 O TYR A 89 6.821 -14.422 -11.005 1.00 65.54 O ATOM 1419 CB TYR A 89 3.728 -14.324 -11.833 1.00 54.14 C ATOM 1420 CG TYR A 89 3.926 -15.217 -10.632 1.00 53.40 C ATOM 1421 CD1 TYR A 89 3.897 -14.710 -9.340 1.00 35.30 C ATOM 1422 CD2 TYR A 89 4.148 -16.572 -10.801 1.00 3.10 C ATOM 1423 CE1 TYR A 89 4.083 -15.539 -8.246 1.00 33.00 C ATOM 1424 CE2 TYR A 89 4.334 -17.408 -9.718 1.00 43.45 C ATOM 1425 CZ TYR A 89 4.303 -16.887 -8.443 1.00 2.31 C ATOM 1426 OH TYR A 89 4.488 -17.719 -7.362 1.00 10.14 O ATOM 0 H TYR A 89 4.063 -13.541 -14.125 1.00 13.14 H new ATOM 0 HA TYR A 89 5.064 -12.664 -11.595 1.00 14.11 H new ATOM 0 HB2 TYR A 89 2.921 -13.623 -11.619 1.00 54.14 H new ATOM 0 HB3 TYR A 89 3.404 -14.936 -12.675 1.00 54.14 H new ATOM 0 HD1 TYR A 89 3.727 -13.655 -9.186 1.00 35.30 H new ATOM 0 HD2 TYR A 89 4.176 -16.984 -11.799 1.00 3.10 H new ATOM 0 HE1 TYR A 89 4.056 -15.133 -7.246 1.00 33.00 H new ATOM 0 HE2 TYR A 89 4.503 -18.464 -9.869 1.00 43.45 H new ATOM 0 HH TYR A 89 4.629 -18.637 -7.676 1.00 10.14 H new ATOM 1436 N ASN A 90 6.704 -14.959 -13.184 1.00 51.44 N ATOM 1437 CA ASN A 90 7.918 -15.775 -13.166 1.00 63.40 C ATOM 1438 C ASN A 90 9.143 -14.935 -12.828 1.00 52.43 C ATOM 1439 O ASN A 90 10.120 -15.445 -12.273 1.00 5.43 O ATOM 1440 CB ASN A 90 8.128 -16.490 -14.506 1.00 44.24 C ATOM 1441 CG ASN A 90 7.110 -17.588 -14.736 1.00 31.14 C ATOM 1442 OD1 ASN A 90 6.579 -18.157 -13.788 1.00 22.42 O ATOM 1443 ND2 ASN A 90 6.841 -17.902 -15.993 1.00 14.54 N ATOM 0 H ASN A 90 6.252 -14.898 -14.096 1.00 51.44 H new ATOM 0 HA ASN A 90 7.788 -16.528 -12.388 1.00 63.40 H new ATOM 0 HB2 ASN A 90 8.066 -15.764 -15.317 1.00 44.24 H new ATOM 0 HB3 ASN A 90 9.131 -16.915 -14.535 1.00 44.24 H new ATOM 0 HD21 ASN A 90 6.170 -18.642 -16.202 1.00 14.54 H new ATOM 0 HD22 ASN A 90 7.304 -17.404 -16.753 1.00 14.54 H new ATOM 1450 N GLN A 91 9.084 -13.646 -13.150 1.00 14.45 N ATOM 1451 CA GLN A 91 10.157 -12.726 -12.799 1.00 34.54 C ATOM 1452 C GLN A 91 10.264 -12.605 -11.283 1.00 32.31 C ATOM 1453 O GLN A 91 11.363 -12.532 -10.729 1.00 22.51 O ATOM 1454 CB GLN A 91 9.921 -11.347 -13.422 1.00 32.11 C ATOM 1455 CG GLN A 91 9.934 -11.353 -14.942 1.00 63.11 C ATOM 1456 CD GLN A 91 9.782 -9.967 -15.543 1.00 10.12 C ATOM 1457 OE1 GLN A 91 9.235 -9.807 -16.635 1.00 3.14 O ATOM 1458 NE2 GLN A 91 10.279 -8.954 -14.848 1.00 11.35 N ATOM 0 H GLN A 91 8.306 -13.217 -13.652 1.00 14.45 H new ATOM 0 HA GLN A 91 11.092 -13.123 -13.194 1.00 34.54 H new ATOM 0 HB2 GLN A 91 8.961 -10.962 -13.077 1.00 32.11 H new ATOM 0 HB3 GLN A 91 10.688 -10.660 -13.064 1.00 32.11 H new ATOM 0 HG2 GLN A 91 10.869 -11.793 -15.290 1.00 63.11 H new ATOM 0 HG3 GLN A 91 9.127 -11.990 -15.304 1.00 63.11 H new ATOM 0 HE21 GLN A 91 10.725 -9.124 -13.947 1.00 11.35 H new ATOM 0 HE22 GLN A 91 10.215 -8.004 -15.214 1.00 11.35 H new ATOM 1467 N LEU A 92 9.113 -12.612 -10.618 1.00 14.24 N ATOM 1468 CA LEU A 92 9.059 -12.530 -9.164 1.00 51.10 C ATOM 1469 C LEU A 92 9.200 -13.921 -8.556 1.00 64.42 C ATOM 1470 O LEU A 92 9.529 -14.069 -7.380 1.00 73.22 O ATOM 1471 CB LEU A 92 7.740 -11.893 -8.716 1.00 70.20 C ATOM 1472 CG LEU A 92 7.477 -10.490 -9.266 1.00 31.50 C ATOM 1473 CD1 LEU A 92 6.112 -9.999 -8.822 1.00 43.03 C ATOM 1474 CD2 LEU A 92 8.565 -9.524 -8.820 1.00 74.43 C ATOM 0 H LEU A 92 8.200 -12.674 -11.068 1.00 14.24 H new ATOM 0 HA LEU A 92 9.884 -11.907 -8.818 1.00 51.10 H new ATOM 0 HB2 LEU A 92 6.919 -12.544 -9.017 1.00 70.20 H new ATOM 0 HB3 LEU A 92 7.728 -11.848 -7.627 1.00 70.20 H new ATOM 0 HG LEU A 92 7.492 -10.538 -10.355 1.00 31.50 H new ATOM 0 HD11 LEU A 92 5.938 -8.999 -9.220 1.00 43.03 H new ATOM 0 HD12 LEU A 92 5.343 -10.677 -9.193 1.00 43.03 H new ATOM 0 HD13 LEU A 92 6.073 -9.968 -7.733 1.00 43.03 H new ATOM 0 HD21 LEU A 92 8.358 -8.532 -9.222 1.00 74.43 H new ATOM 0 HD22 LEU A 92 8.586 -9.477 -7.731 1.00 74.43 H new ATOM 0 HD23 LEU A 92 9.531 -9.870 -9.187 1.00 74.43 H new ATOM 1486 N GLU A 93 8.968 -14.938 -9.379 1.00 73.24 N ATOM 1487 CA GLU A 93 9.069 -16.327 -8.946 1.00 45.02 C ATOM 1488 C GLU A 93 10.529 -16.780 -8.952 1.00 75.25 C ATOM 1489 O GLU A 93 10.831 -17.955 -8.773 1.00 3.13 O ATOM 1490 CB GLU A 93 8.237 -17.235 -9.861 1.00 11.52 C ATOM 1491 CG GLU A 93 8.007 -18.635 -9.301 1.00 10.31 C ATOM 1492 CD GLU A 93 7.626 -19.642 -10.367 1.00 31.02 C ATOM 1493 OE1 GLU A 93 8.542 -20.175 -11.031 1.00 34.33 O ATOM 1494 OE2 GLU A 93 6.418 -19.922 -10.534 1.00 11.15 O ATOM 0 H GLU A 93 8.706 -14.824 -10.358 1.00 73.24 H new ATOM 0 HA GLU A 93 8.680 -16.400 -7.930 1.00 45.02 H new ATOM 0 HB2 GLU A 93 7.271 -16.764 -10.042 1.00 11.52 H new ATOM 0 HB3 GLU A 93 8.737 -17.318 -10.826 1.00 11.52 H new ATOM 0 HG2 GLU A 93 8.913 -18.972 -8.797 1.00 10.31 H new ATOM 0 HG3 GLU A 93 7.220 -18.595 -8.548 1.00 10.31 H new ATOM 1501 N HIS A 94 11.443 -15.833 -9.137 1.00 33.24 N ATOM 1502 CA HIS A 94 12.873 -16.142 -9.150 1.00 61.53 C ATOM 1503 C HIS A 94 13.406 -16.363 -7.735 1.00 12.12 C ATOM 1504 O HIS A 94 14.612 -16.299 -7.492 1.00 11.13 O ATOM 1505 CB HIS A 94 13.666 -15.046 -9.869 1.00 1.35 C ATOM 1506 CG HIS A 94 13.631 -15.170 -11.365 1.00 23.41 C ATOM 1507 ND1 HIS A 94 13.320 -14.124 -12.208 1.00 41.44 N ATOM 1508 CD2 HIS A 94 13.877 -16.234 -12.170 1.00 21.03 C ATOM 1509 CE1 HIS A 94 13.371 -14.540 -13.462 1.00 22.34 C ATOM 1510 NE2 HIS A 94 13.709 -15.813 -13.465 1.00 21.33 N ATOM 0 H HIS A 94 11.222 -14.847 -9.280 1.00 33.24 H new ATOM 0 HA HIS A 94 13.005 -17.072 -9.703 1.00 61.53 H new ATOM 0 HB2 HIS A 94 13.268 -14.072 -9.583 1.00 1.35 H new ATOM 0 HB3 HIS A 94 14.702 -15.078 -9.533 1.00 1.35 H new ATOM 0 HD1 HIS A 94 13.087 -13.177 -11.910 1.00 41.44 H new ATOM 0 HD2 HIS A 94 14.154 -17.228 -11.851 1.00 21.03 H new ATOM 0 HE1 HIS A 94 13.170 -13.938 -14.336 1.00 22.34 H new ATOM 1519 N HIS A 95 12.496 -16.623 -6.807 1.00 1.12 N ATOM 1520 CA HIS A 95 12.856 -17.071 -5.471 1.00 15.22 C ATOM 1521 C HIS A 95 12.328 -18.486 -5.272 1.00 73.04 C ATOM 1522 O HIS A 95 11.320 -18.689 -4.597 1.00 64.13 O ATOM 1523 CB HIS A 95 12.275 -16.154 -4.385 1.00 21.05 C ATOM 1524 CG HIS A 95 12.841 -14.766 -4.368 1.00 62.52 C ATOM 1525 ND1 HIS A 95 14.135 -14.488 -4.002 1.00 43.40 N ATOM 1526 CD2 HIS A 95 12.268 -13.573 -4.649 1.00 43.13 C ATOM 1527 CE1 HIS A 95 14.335 -13.185 -4.054 1.00 53.13 C ATOM 1528 NE2 HIS A 95 13.217 -12.600 -4.443 1.00 62.41 N ATOM 0 H HIS A 95 11.492 -16.530 -6.959 1.00 1.12 H new ATOM 0 HA HIS A 95 13.942 -17.045 -5.381 1.00 15.22 H new ATOM 0 HB2 HIS A 95 11.196 -16.090 -4.522 1.00 21.05 H new ATOM 0 HB3 HIS A 95 12.446 -16.613 -3.411 1.00 21.05 H new ATOM 0 HD2 HIS A 95 11.251 -13.414 -4.975 1.00 43.13 H new ATOM 0 HE1 HIS A 95 15.260 -12.680 -3.818 1.00 53.13 H new ATOM 0 HE2 HIS A 95 13.081 -11.597 -4.569 1.00 62.41 H new ATOM 1537 N HIS A 96 12.986 -19.459 -5.891 1.00 31.03 N ATOM 1538 CA HIS A 96 12.498 -20.833 -5.869 1.00 43.02 C ATOM 1539 C HIS A 96 12.736 -21.498 -4.523 1.00 24.23 C ATOM 1540 O HIS A 96 13.828 -21.988 -4.234 1.00 53.34 O ATOM 1541 CB HIS A 96 13.125 -21.666 -6.990 1.00 22.03 C ATOM 1542 CG HIS A 96 12.393 -21.557 -8.293 1.00 72.44 C ATOM 1543 ND1 HIS A 96 12.817 -22.163 -9.456 1.00 34.32 N ATOM 1544 CD2 HIS A 96 11.246 -20.910 -8.606 1.00 24.44 C ATOM 1545 CE1 HIS A 96 11.962 -21.892 -10.426 1.00 31.32 C ATOM 1546 NE2 HIS A 96 10.999 -21.134 -9.935 1.00 42.32 N ATOM 0 H HIS A 96 13.853 -19.324 -6.411 1.00 31.03 H new ATOM 0 HA HIS A 96 11.422 -20.786 -6.034 1.00 43.02 H new ATOM 0 HB2 HIS A 96 14.158 -21.349 -7.134 1.00 22.03 H new ATOM 0 HB3 HIS A 96 13.153 -22.712 -6.684 1.00 22.03 H new ATOM 0 HD2 HIS A 96 10.638 -20.325 -7.932 1.00 24.44 H new ATOM 0 HE1 HIS A 96 12.038 -22.233 -11.448 1.00 31.32 H new ATOM 0 HE2 HIS A 96 10.202 -20.774 -10.459 1.00 42.32 H new ATOM 1555 N HIS A 97 11.703 -21.487 -3.698 1.00 51.00 N ATOM 1556 CA HIS A 97 11.705 -22.204 -2.437 1.00 74.22 C ATOM 1557 C HIS A 97 10.501 -23.131 -2.388 1.00 62.14 C ATOM 1558 O HIS A 97 9.448 -22.812 -2.946 1.00 31.33 O ATOM 1559 CB HIS A 97 11.685 -21.242 -1.243 1.00 22.04 C ATOM 1560 CG HIS A 97 12.998 -20.563 -0.995 1.00 40.53 C ATOM 1561 ND1 HIS A 97 14.092 -21.219 -0.473 1.00 43.14 N ATOM 1562 CD2 HIS A 97 13.392 -19.283 -1.196 1.00 44.05 C ATOM 1563 CE1 HIS A 97 15.099 -20.375 -0.366 1.00 71.43 C ATOM 1564 NE2 HIS A 97 14.704 -19.192 -0.796 1.00 50.33 N ATOM 0 H HIS A 97 10.838 -20.979 -3.885 1.00 51.00 H new ATOM 0 HA HIS A 97 12.624 -22.787 -2.370 1.00 74.22 H new ATOM 0 HB2 HIS A 97 10.920 -20.484 -1.411 1.00 22.04 H new ATOM 0 HB3 HIS A 97 11.396 -21.793 -0.348 1.00 22.04 H new ATOM 0 HD2 HIS A 97 12.788 -18.482 -1.596 1.00 44.05 H new ATOM 0 HE1 HIS A 97 16.083 -20.612 0.011 1.00 71.43 H new ATOM 0 HE2 HIS A 97 15.277 -18.349 -0.827 1.00 50.33 H new ATOM 1573 N HIS A 98 10.662 -24.273 -1.732 1.00 32.13 N ATOM 1574 CA HIS A 98 9.618 -25.293 -1.691 1.00 2.34 C ATOM 1575 C HIS A 98 8.333 -24.718 -1.089 1.00 63.42 C ATOM 1576 O HIS A 98 8.371 -24.041 -0.059 1.00 52.01 O ATOM 1577 CB HIS A 98 10.100 -26.502 -0.883 1.00 22.24 C ATOM 1578 CG HIS A 98 9.342 -27.761 -1.172 1.00 53.24 C ATOM 1579 ND1 HIS A 98 8.800 -28.564 -0.194 1.00 30.42 N ATOM 1580 CD2 HIS A 98 9.049 -28.362 -2.349 1.00 24.13 C ATOM 1581 CE1 HIS A 98 8.205 -29.600 -0.759 1.00 22.34 C ATOM 1582 NE2 HIS A 98 8.343 -29.499 -2.065 1.00 33.40 N ATOM 0 H HIS A 98 11.509 -24.518 -1.219 1.00 32.13 H new ATOM 0 HA HIS A 98 9.401 -25.618 -2.709 1.00 2.34 H new ATOM 0 HB2 HIS A 98 11.157 -26.669 -1.091 1.00 22.24 H new ATOM 0 HB3 HIS A 98 10.017 -26.274 0.180 1.00 22.24 H new ATOM 0 HD2 HIS A 98 9.322 -28.009 -3.332 1.00 24.13 H new ATOM 0 HE1 HIS A 98 7.692 -30.395 -0.238 1.00 22.34 H new ATOM 0 HE2 HIS A 98 7.982 -30.161 -2.753 1.00 33.40 H new ATOM 1591 N HIS A 99 7.203 -24.981 -1.744 1.00 43.15 N ATOM 1592 CA HIS A 99 5.926 -24.386 -1.343 1.00 44.25 C ATOM 1593 C HIS A 99 5.501 -24.896 0.030 1.00 20.34 C ATOM 1594 O HIS A 99 5.663 -26.081 0.344 1.00 24.20 O ATOM 1595 CB HIS A 99 4.824 -24.698 -2.368 1.00 11.30 C ATOM 1596 CG HIS A 99 5.170 -24.338 -3.785 1.00 74.32 C ATOM 1597 ND1 HIS A 99 4.800 -25.110 -4.863 1.00 44.44 N ATOM 1598 CD2 HIS A 99 5.858 -23.292 -4.297 1.00 54.14 C ATOM 1599 CE1 HIS A 99 5.246 -24.556 -5.974 1.00 41.02 C ATOM 1600 NE2 HIS A 99 5.895 -23.449 -5.661 1.00 74.34 N ATOM 0 H HIS A 99 7.144 -25.600 -2.552 1.00 43.15 H new ATOM 0 HA HIS A 99 6.068 -23.306 -1.297 1.00 44.25 H new ATOM 0 HB2 HIS A 99 4.594 -25.763 -2.323 1.00 11.30 H new ATOM 0 HB3 HIS A 99 3.918 -24.164 -2.082 1.00 11.30 H new ATOM 0 HD2 HIS A 99 6.298 -22.481 -3.736 1.00 54.14 H new ATOM 0 HE1 HIS A 99 5.104 -24.943 -6.972 1.00 41.02 H new ATOM 0 HE2 HIS A 99 6.348 -22.817 -6.321 1.00 74.34 H new TER 1609 HIS A 99