USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 987 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 103 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.22) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 44 ASN : amide:sc= -3.56! C(o=-8.2!,f=-5.6!) USER MOD Set 2.2: A 45 GLN : amide:sc= -3.69 K(o=-8.2,f=-4.7!) USER MOD Set 2.3: A 114 ASN : amide:sc= -0.972 K(o=-8.2,f=-6.5!) USER MOD Set 3.1: A 2 GLN : amide:sc= -1.97! C(o=-1.6!,f=-2.4!) USER MOD Set 3.2: A 15 LYS NZ :NH3+ 168:sc= 0.329 (180deg=0.185) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.31! C(o=-1.3!,f=-1.3!) USER MOD Single : A 11 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.7) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.842 X(o=-0.84,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-0.014) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -1.11 (180deg=-2.08!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.066) USER MOD Single : A 47 THR OG1 : rot -139:sc= 1.28 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 26:sc= 0.387 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 150:sc= -2.56! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 71 ASN : amide:sc= -0.991 K(o=-0.99,f=-0.07) USER MOD Single : A 74 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.32 K(o=-1.3,f=-6!) USER MOD Single : A 85 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.28) USER MOD Single : A 86 TYR OH : rot 180:sc= 0.226 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 0:sc= -8.3! USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 90:sc= -2.05 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.162) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N GLN A 2 2.341 2.057 1.234 1.00 0.56 N ATOM 16 CA GLN A 2 3.062 1.961 2.533 1.00 0.72 C ATOM 17 C GLN A 2 2.997 3.308 3.253 1.00 0.55 C ATOM 18 O GLN A 2 2.751 4.335 2.652 1.00 0.37 O ATOM 19 CB GLN A 2 4.523 1.572 2.291 1.00 0.83 C ATOM 20 CG GLN A 2 5.200 2.626 1.415 1.00 0.95 C ATOM 21 CD GLN A 2 5.906 1.936 0.247 1.00 2.09 C ATOM 22 OE1 GLN A 2 7.091 2.115 0.046 1.00 2.61 O ATOM 23 NE2 GLN A 2 5.225 1.144 -0.537 1.00 2.82 N ATOM 0 HA GLN A 2 2.590 1.197 3.151 1.00 0.72 H new ATOM 0 HB2 GLN A 2 5.048 1.484 3.242 1.00 0.83 H new ATOM 0 HB3 GLN A 2 4.574 0.596 1.808 1.00 0.83 H new ATOM 0 HG2 GLN A 2 4.460 3.334 1.041 1.00 0.95 H new ATOM 0 HG3 GLN A 2 5.919 3.197 2.003 1.00 0.95 H new ATOM 0 HE21 GLN A 2 4.230 0.993 -0.370 1.00 2.82 H new ATOM 0 HE22 GLN A 2 5.688 0.677 -1.317 1.00 2.82 H new ATOM 32 N VAL A 3 3.205 3.310 4.540 1.00 0.65 N ATOM 33 CA VAL A 3 3.144 4.585 5.309 1.00 0.52 C ATOM 34 C VAL A 3 4.564 5.106 5.538 1.00 0.37 C ATOM 35 O VAL A 3 5.533 4.410 5.314 1.00 0.44 O ATOM 36 CB VAL A 3 2.471 4.326 6.658 1.00 0.61 C ATOM 37 CG1 VAL A 3 0.954 4.242 6.468 1.00 0.66 C ATOM 38 CG2 VAL A 3 2.985 3.006 7.236 1.00 0.68 C ATOM 0 H VAL A 3 3.415 2.480 5.095 1.00 0.65 H new ATOM 0 HA VAL A 3 2.571 5.326 4.751 1.00 0.52 H new ATOM 0 HB VAL A 3 2.705 5.141 7.342 1.00 0.61 H new ATOM 0 HG11 VAL A 3 0.476 4.057 7.430 1.00 0.66 H new ATOM 0 HG12 VAL A 3 0.587 5.181 6.055 1.00 0.66 H new ATOM 0 HG13 VAL A 3 0.718 3.427 5.783 1.00 0.66 H new ATOM 0 HG21 VAL A 3 2.507 2.819 8.198 1.00 0.68 H new ATOM 0 HG22 VAL A 3 2.750 2.192 6.550 1.00 0.68 H new ATOM 0 HG23 VAL A 3 4.065 3.065 7.373 1.00 0.68 H new ATOM 48 N ASP A 4 4.696 6.333 5.968 1.00 0.21 N ATOM 49 CA ASP A 4 6.056 6.898 6.193 1.00 0.12 C ATOM 50 C ASP A 4 6.484 6.682 7.644 1.00 0.12 C ATOM 51 O ASP A 4 5.814 7.093 8.570 1.00 0.18 O ATOM 52 CB ASP A 4 6.043 8.398 5.890 1.00 0.22 C ATOM 53 CG ASP A 4 7.412 8.996 6.225 1.00 0.31 C ATOM 54 OD1 ASP A 4 8.276 8.247 6.650 1.00 0.58 O ATOM 55 OD2 ASP A 4 7.573 10.193 6.052 1.00 0.87 O ATOM 0 H ASP A 4 3.922 6.966 6.172 1.00 0.21 H new ATOM 0 HA ASP A 4 6.761 6.393 5.533 1.00 0.12 H new ATOM 0 HB2 ASP A 4 5.808 8.566 4.839 1.00 0.22 H new ATOM 0 HB3 ASP A 4 5.266 8.891 6.473 1.00 0.22 H new ATOM 60 N VAL A 5 7.607 6.053 7.843 1.00 0.15 N ATOM 61 CA VAL A 5 8.104 5.821 9.226 1.00 0.17 C ATOM 62 C VAL A 5 9.632 5.881 9.208 1.00 0.19 C ATOM 63 O VAL A 5 10.263 5.544 8.225 1.00 0.18 O ATOM 64 CB VAL A 5 7.640 4.452 9.728 1.00 0.20 C ATOM 65 CG1 VAL A 5 6.120 4.345 9.579 1.00 0.25 C ATOM 66 CG2 VAL A 5 8.314 3.344 8.915 1.00 0.23 C ATOM 0 H VAL A 5 8.206 5.687 7.102 1.00 0.15 H new ATOM 0 HA VAL A 5 7.709 6.585 9.896 1.00 0.17 H new ATOM 0 HB VAL A 5 7.913 4.341 10.777 1.00 0.20 H new ATOM 0 HG11 VAL A 5 5.787 3.370 9.936 1.00 0.25 H new ATOM 0 HG12 VAL A 5 5.641 5.129 10.165 1.00 0.25 H new ATOM 0 HG13 VAL A 5 5.848 4.459 8.530 1.00 0.25 H new ATOM 0 HG21 VAL A 5 7.979 2.372 9.277 1.00 0.23 H new ATOM 0 HG22 VAL A 5 8.047 3.451 7.864 1.00 0.23 H new ATOM 0 HG23 VAL A 5 9.396 3.419 9.024 1.00 0.23 H new ATOM 76 N LYS A 6 10.234 6.314 10.277 1.00 0.37 N ATOM 77 CA LYS A 6 11.718 6.406 10.307 1.00 0.43 C ATOM 78 C LYS A 6 12.279 5.333 11.236 1.00 0.44 C ATOM 79 O LYS A 6 12.122 5.394 12.438 1.00 0.42 O ATOM 80 CB LYS A 6 12.130 7.789 10.813 1.00 0.47 C ATOM 81 CG LYS A 6 12.387 8.710 9.621 1.00 1.23 C ATOM 82 CD LYS A 6 13.634 9.556 9.890 1.00 0.86 C ATOM 83 CE LYS A 6 14.836 8.946 9.163 1.00 2.71 C ATOM 84 NZ LYS A 6 14.975 9.569 7.818 1.00 2.85 N ATOM 0 H LYS A 6 9.763 6.609 11.132 1.00 0.37 H new ATOM 0 HA LYS A 6 12.112 6.254 9.302 1.00 0.43 H new ATOM 0 HB2 LYS A 6 11.346 8.205 11.446 1.00 0.47 H new ATOM 0 HB3 LYS A 6 13.027 7.711 11.427 1.00 0.47 H new ATOM 0 HG2 LYS A 6 12.523 8.120 8.715 1.00 1.23 H new ATOM 0 HG3 LYS A 6 11.525 9.356 9.454 1.00 1.23 H new ATOM 0 HD2 LYS A 6 13.472 10.579 9.550 1.00 0.86 H new ATOM 0 HD3 LYS A 6 13.830 9.603 10.961 1.00 0.86 H new ATOM 0 HE2 LYS A 6 15.744 9.105 9.744 1.00 2.71 H new ATOM 0 HE3 LYS A 6 14.705 7.868 9.064 1.00 2.71 H new ATOM 0 HZ1 LYS A 6 15.792 9.154 7.326 1.00 2.85 H new ATOM 0 HZ2 LYS A 6 14.112 9.396 7.264 1.00 2.85 H new ATOM 0 HZ3 LYS A 6 15.119 10.594 7.923 1.00 2.85 H new ATOM 98 N ASP A 7 12.932 4.348 10.687 1.00 0.47 N ATOM 99 CA ASP A 7 13.505 3.272 11.540 1.00 0.50 C ATOM 100 C ASP A 7 14.389 3.897 12.619 1.00 0.55 C ATOM 101 O ASP A 7 15.084 4.866 12.382 1.00 1.02 O ATOM 102 CB ASP A 7 14.351 2.337 10.676 1.00 0.55 C ATOM 103 CG ASP A 7 15.199 3.168 9.710 1.00 2.33 C ATOM 104 OD1 ASP A 7 14.687 3.527 8.662 1.00 2.97 O ATOM 105 OD2 ASP A 7 16.344 3.432 10.035 1.00 3.54 O ATOM 0 H ASP A 7 13.093 4.242 9.685 1.00 0.47 H new ATOM 0 HA ASP A 7 12.697 2.709 12.008 1.00 0.50 H new ATOM 0 HB2 ASP A 7 14.994 1.723 11.307 1.00 0.55 H new ATOM 0 HB3 ASP A 7 13.707 1.656 10.119 1.00 0.55 H new ATOM 110 N CYS A 8 14.374 3.346 13.800 1.00 0.47 N ATOM 111 CA CYS A 8 15.221 3.900 14.891 1.00 0.50 C ATOM 112 C CYS A 8 16.276 2.862 15.277 1.00 0.52 C ATOM 113 O CYS A 8 17.241 3.162 15.951 1.00 0.96 O ATOM 114 CB CYS A 8 14.350 4.228 16.107 1.00 0.52 C ATOM 115 SG CYS A 8 14.237 2.774 17.179 1.00 0.42 S ATOM 0 H CYS A 8 13.811 2.535 14.057 1.00 0.47 H new ATOM 0 HA CYS A 8 15.710 4.812 14.549 1.00 0.50 H new ATOM 0 HB2 CYS A 8 14.777 5.067 16.658 1.00 0.52 H new ATOM 0 HB3 CYS A 8 13.355 4.532 15.783 1.00 0.52 H new ATOM 120 N ALA A 9 16.101 1.643 14.847 1.00 0.20 N ATOM 121 CA ALA A 9 17.093 0.585 15.179 1.00 0.18 C ATOM 122 C ALA A 9 18.401 0.882 14.460 1.00 0.15 C ATOM 123 O ALA A 9 19.421 1.144 15.066 1.00 0.24 O ATOM 124 CB ALA A 9 16.581 -0.774 14.695 1.00 0.17 C ATOM 0 H ALA A 9 15.312 1.335 14.279 1.00 0.20 H new ATOM 0 HA ALA A 9 17.244 0.565 16.258 1.00 0.18 H new ATOM 0 HB1 ALA A 9 17.310 -1.546 14.940 1.00 0.17 H new ATOM 0 HB2 ALA A 9 15.634 -1.001 15.184 1.00 0.17 H new ATOM 0 HB3 ALA A 9 16.434 -0.744 13.615 1.00 0.17 H new ATOM 130 N ASN A 10 18.371 0.819 13.163 1.00 0.06 N ATOM 131 CA ASN A 10 19.596 1.068 12.369 1.00 0.09 C ATOM 132 C ASN A 10 19.280 0.775 10.902 1.00 0.22 C ATOM 133 O ASN A 10 19.869 -0.088 10.280 1.00 0.41 O ATOM 134 CB ASN A 10 20.697 0.133 12.873 1.00 0.27 C ATOM 135 CG ASN A 10 21.834 0.059 11.851 1.00 2.25 C ATOM 136 OD1 ASN A 10 22.258 -1.015 11.475 1.00 4.45 O ATOM 137 ND2 ASN A 10 22.346 1.163 11.383 1.00 2.30 N ATOM 0 H ASN A 10 17.539 0.603 12.614 1.00 0.06 H new ATOM 0 HA ASN A 10 19.930 2.101 12.469 1.00 0.09 H new ATOM 0 HB2 ASN A 10 21.080 0.491 13.829 1.00 0.27 H new ATOM 0 HB3 ASN A 10 20.288 -0.862 13.046 1.00 0.27 H new ATOM 0 HD21 ASN A 10 23.103 1.125 10.701 1.00 2.30 H new ATOM 0 HD22 ASN A 10 21.989 2.065 11.699 1.00 2.30 H new ATOM 144 N ASN A 11 18.323 1.467 10.348 1.00 0.31 N ATOM 145 CA ASN A 11 17.950 1.203 8.933 1.00 0.52 C ATOM 146 C ASN A 11 17.667 -0.291 8.788 1.00 0.40 C ATOM 147 O ASN A 11 17.718 -0.846 7.709 1.00 0.43 O ATOM 148 CB ASN A 11 19.102 1.607 8.009 1.00 0.76 C ATOM 149 CG ASN A 11 18.672 1.438 6.549 1.00 0.69 C ATOM 150 OD1 ASN A 11 19.427 0.939 5.737 1.00 0.49 O ATOM 151 ND2 ASN A 11 17.486 1.835 6.178 1.00 1.76 N ATOM 0 H ASN A 11 17.787 2.200 10.812 1.00 0.31 H new ATOM 0 HA ASN A 11 17.068 1.782 8.660 1.00 0.52 H new ATOM 0 HB2 ASN A 11 19.387 2.642 8.197 1.00 0.76 H new ATOM 0 HB3 ASN A 11 19.979 0.993 8.214 1.00 0.76 H new ATOM 0 HD21 ASN A 11 17.192 1.727 5.207 1.00 1.76 H new ATOM 0 HD22 ASN A 11 16.852 2.254 6.859 1.00 1.76 H new ATOM 158 N GLU A 12 17.370 -0.944 9.880 1.00 0.29 N ATOM 159 CA GLU A 12 17.082 -2.403 9.834 1.00 0.21 C ATOM 160 C GLU A 12 15.815 -2.643 9.019 1.00 0.18 C ATOM 161 O GLU A 12 15.835 -3.312 8.007 1.00 0.18 O ATOM 162 CB GLU A 12 16.872 -2.920 11.259 1.00 0.12 C ATOM 163 CG GLU A 12 18.215 -3.345 11.852 1.00 0.86 C ATOM 164 CD GLU A 12 18.774 -4.520 11.052 1.00 1.17 C ATOM 165 OE1 GLU A 12 18.016 -5.113 10.305 1.00 3.52 O ATOM 166 OE2 GLU A 12 19.952 -4.805 11.198 1.00 1.26 O ATOM 0 H GLU A 12 17.315 -0.524 10.808 1.00 0.29 H new ATOM 0 HA GLU A 12 17.918 -2.927 9.372 1.00 0.21 H new ATOM 0 HB2 GLU A 12 16.420 -2.143 11.876 1.00 0.12 H new ATOM 0 HB3 GLU A 12 16.182 -3.764 11.253 1.00 0.12 H new ATOM 0 HG2 GLU A 12 18.915 -2.510 11.830 1.00 0.86 H new ATOM 0 HG3 GLU A 12 18.090 -3.629 12.897 1.00 0.86 H new ATOM 173 N ILE A 13 14.710 -2.108 9.453 1.00 0.17 N ATOM 174 CA ILE A 13 13.446 -2.318 8.693 1.00 0.18 C ATOM 175 C ILE A 13 13.613 -1.784 7.268 1.00 0.24 C ATOM 176 O ILE A 13 13.994 -0.648 7.063 1.00 0.35 O ATOM 177 CB ILE A 13 12.292 -1.575 9.377 1.00 0.19 C ATOM 178 CG1 ILE A 13 12.241 -1.953 10.863 1.00 0.16 C ATOM 179 CG2 ILE A 13 10.970 -1.944 8.702 1.00 0.20 C ATOM 180 CD1 ILE A 13 10.968 -2.753 11.157 1.00 0.19 C ATOM 0 H ILE A 13 14.626 -1.538 10.295 1.00 0.17 H new ATOM 0 HA ILE A 13 13.222 -3.384 8.665 1.00 0.18 H new ATOM 0 HB ILE A 13 12.452 -0.501 9.287 1.00 0.19 H new ATOM 0 HG12 ILE A 13 13.119 -2.542 11.127 1.00 0.16 H new ATOM 0 HG13 ILE A 13 12.264 -1.053 11.477 1.00 0.16 H new ATOM 0 HG21 ILE A 13 10.152 -1.414 9.190 1.00 0.20 H new ATOM 0 HG22 ILE A 13 11.008 -1.662 7.650 1.00 0.20 H new ATOM 0 HG23 ILE A 13 10.807 -3.019 8.784 1.00 0.20 H new ATOM 0 HD11 ILE A 13 10.940 -3.017 12.214 1.00 0.19 H new ATOM 0 HD12 ILE A 13 10.094 -2.150 10.911 1.00 0.19 H new ATOM 0 HD13 ILE A 13 10.963 -3.662 10.556 1.00 0.19 H new ATOM 192 N LYS A 14 13.322 -2.589 6.282 1.00 0.20 N ATOM 193 CA LYS A 14 13.454 -2.122 4.876 1.00 0.28 C ATOM 194 C LYS A 14 12.263 -1.227 4.538 1.00 0.39 C ATOM 195 O LYS A 14 12.308 -0.451 3.607 1.00 0.51 O ATOM 196 CB LYS A 14 13.463 -3.326 3.929 1.00 0.45 C ATOM 197 CG LYS A 14 14.528 -4.329 4.373 1.00 0.42 C ATOM 198 CD LYS A 14 15.921 -3.756 4.096 1.00 0.45 C ATOM 199 CE LYS A 14 16.562 -3.319 5.414 1.00 0.53 C ATOM 200 NZ LYS A 14 18.020 -3.087 5.210 1.00 0.43 N ATOM 0 H LYS A 14 12.999 -3.550 6.392 1.00 0.20 H new ATOM 0 HA LYS A 14 14.385 -1.567 4.762 1.00 0.28 H new ATOM 0 HB2 LYS A 14 12.483 -3.802 3.923 1.00 0.45 H new ATOM 0 HB3 LYS A 14 13.664 -2.996 2.910 1.00 0.45 H new ATOM 0 HG2 LYS A 14 14.418 -4.545 5.436 1.00 0.42 H new ATOM 0 HG3 LYS A 14 14.399 -5.271 3.841 1.00 0.42 H new ATOM 0 HD2 LYS A 14 16.544 -4.505 3.607 1.00 0.45 H new ATOM 0 HD3 LYS A 14 15.849 -2.908 3.415 1.00 0.45 H new ATOM 0 HE2 LYS A 14 16.086 -2.408 5.777 1.00 0.53 H new ATOM 0 HE3 LYS A 14 16.409 -4.084 6.175 1.00 0.53 H new ATOM 0 HZ1 LYS A 14 18.453 -2.790 6.108 1.00 0.43 H new ATOM 0 HZ2 LYS A 14 18.469 -3.966 4.883 1.00 0.43 H new ATOM 0 HZ3 LYS A 14 18.157 -2.343 4.497 1.00 0.43 H new ATOM 214 N LYS A 15 11.197 -1.335 5.293 1.00 0.39 N ATOM 215 CA LYS A 15 9.996 -0.502 5.028 1.00 0.55 C ATOM 216 C LYS A 15 8.772 -1.198 5.618 1.00 0.40 C ATOM 217 O LYS A 15 8.522 -2.359 5.365 1.00 0.30 O ATOM 218 CB LYS A 15 9.785 -0.335 3.524 1.00 0.77 C ATOM 219 CG LYS A 15 8.295 -0.469 3.215 1.00 0.92 C ATOM 220 CD LYS A 15 8.039 -0.105 1.754 1.00 1.32 C ATOM 221 CE LYS A 15 8.289 -1.333 0.879 1.00 1.41 C ATOM 222 NZ LYS A 15 7.260 -1.393 -0.197 1.00 2.38 N ATOM 0 H LYS A 15 11.113 -1.971 6.086 1.00 0.39 H new ATOM 0 HA LYS A 15 10.138 0.479 5.482 1.00 0.55 H new ATOM 0 HB2 LYS A 15 10.151 0.638 3.198 1.00 0.77 H new ATOM 0 HB3 LYS A 15 10.352 -1.089 2.978 1.00 0.77 H new ATOM 0 HG2 LYS A 15 7.963 -1.489 3.409 1.00 0.92 H new ATOM 0 HG3 LYS A 15 7.718 0.184 3.869 1.00 0.92 H new ATOM 0 HD2 LYS A 15 7.014 0.244 1.628 1.00 1.32 H new ATOM 0 HD3 LYS A 15 8.693 0.712 1.450 1.00 1.32 H new ATOM 0 HE2 LYS A 15 9.286 -1.284 0.441 1.00 1.41 H new ATOM 0 HE3 LYS A 15 8.251 -2.238 1.485 1.00 1.41 H new ATOM 0 HZ1 LYS A 15 7.541 -2.099 -0.907 1.00 2.38 H new ATOM 0 HZ2 LYS A 15 6.343 -1.661 0.214 1.00 2.38 H new ATOM 0 HZ3 LYS A 15 7.177 -0.461 -0.650 1.00 2.38 H new ATOM 236 N VAL A 16 8.009 -0.495 6.397 1.00 0.49 N ATOM 237 CA VAL A 16 6.799 -1.106 7.003 1.00 0.39 C ATOM 238 C VAL A 16 5.562 -0.511 6.318 1.00 0.36 C ATOM 239 O VAL A 16 5.387 0.691 6.268 1.00 0.49 O ATOM 240 CB VAL A 16 6.800 -0.795 8.497 1.00 0.47 C ATOM 241 CG1 VAL A 16 5.528 -0.027 8.869 1.00 0.60 C ATOM 242 CG2 VAL A 16 6.867 -2.101 9.294 1.00 0.38 C ATOM 0 H VAL A 16 8.171 0.482 6.642 1.00 0.49 H new ATOM 0 HA VAL A 16 6.789 -2.188 6.869 1.00 0.39 H new ATOM 0 HB VAL A 16 7.669 -0.182 8.735 1.00 0.47 H new ATOM 0 HG11 VAL A 16 5.534 0.192 9.937 1.00 0.60 H new ATOM 0 HG12 VAL A 16 5.489 0.906 8.307 1.00 0.60 H new ATOM 0 HG13 VAL A 16 4.654 -0.632 8.628 1.00 0.60 H new ATOM 0 HG21 VAL A 16 6.868 -1.877 10.361 1.00 0.38 H new ATOM 0 HG22 VAL A 16 6.002 -2.719 9.054 1.00 0.38 H new ATOM 0 HG23 VAL A 16 7.779 -2.638 9.036 1.00 0.38 H new ATOM 252 N MET A 17 4.724 -1.338 5.752 1.00 0.15 N ATOM 253 CA MET A 17 3.526 -0.810 5.032 1.00 0.09 C ATOM 254 C MET A 17 2.235 -1.282 5.706 1.00 0.09 C ATOM 255 O MET A 17 2.161 -2.370 6.241 1.00 0.31 O ATOM 256 CB MET A 17 3.530 -1.322 3.583 1.00 0.11 C ATOM 257 CG MET A 17 4.952 -1.688 3.138 1.00 0.56 C ATOM 258 SD MET A 17 4.864 -2.903 1.800 1.00 0.64 S ATOM 259 CE MET A 17 4.824 -4.386 2.840 1.00 1.89 C ATOM 0 H MET A 17 4.816 -2.354 5.756 1.00 0.15 H new ATOM 0 HA MET A 17 3.569 0.279 5.055 1.00 0.09 H new ATOM 0 HB2 MET A 17 2.882 -2.194 3.499 1.00 0.11 H new ATOM 0 HB3 MET A 17 3.123 -0.558 2.921 1.00 0.11 H new ATOM 0 HG2 MET A 17 5.481 -0.796 2.801 1.00 0.56 H new ATOM 0 HG3 MET A 17 5.515 -2.095 3.978 1.00 0.56 H new ATOM 0 HE1 MET A 17 4.768 -5.272 2.208 1.00 1.89 H new ATOM 0 HE2 MET A 17 5.728 -4.429 3.447 1.00 1.89 H new ATOM 0 HE3 MET A 17 3.951 -4.350 3.492 1.00 1.89 H new ATOM 269 N VAL A 18 1.207 -0.476 5.653 1.00 0.07 N ATOM 270 CA VAL A 18 -0.096 -0.877 6.259 1.00 0.08 C ATOM 271 C VAL A 18 -1.048 -1.282 5.132 1.00 0.43 C ATOM 272 O VAL A 18 -0.869 -0.897 3.993 1.00 0.83 O ATOM 273 CB VAL A 18 -0.697 0.296 7.037 1.00 0.47 C ATOM 274 CG1 VAL A 18 -1.954 -0.170 7.777 1.00 0.50 C ATOM 275 CG2 VAL A 18 0.323 0.815 8.052 1.00 0.73 C ATOM 0 H VAL A 18 1.214 0.445 5.215 1.00 0.07 H new ATOM 0 HA VAL A 18 0.057 -1.710 6.945 1.00 0.08 H new ATOM 0 HB VAL A 18 -0.957 1.093 6.341 1.00 0.47 H new ATOM 0 HG11 VAL A 18 -2.381 0.666 8.331 1.00 0.50 H new ATOM 0 HG12 VAL A 18 -2.684 -0.539 7.057 1.00 0.50 H new ATOM 0 HG13 VAL A 18 -1.693 -0.969 8.471 1.00 0.50 H new ATOM 0 HG21 VAL A 18 -0.107 1.650 8.605 1.00 0.73 H new ATOM 0 HG22 VAL A 18 0.584 0.016 8.746 1.00 0.73 H new ATOM 0 HG23 VAL A 18 1.219 1.149 7.529 1.00 0.73 H new ATOM 285 N ASP A 19 -2.051 -2.059 5.430 1.00 0.33 N ATOM 286 CA ASP A 19 -2.998 -2.489 4.361 1.00 0.71 C ATOM 287 C ASP A 19 -3.356 -1.294 3.474 1.00 1.92 C ATOM 288 O ASP A 19 -3.608 -1.442 2.295 1.00 3.77 O ATOM 289 CB ASP A 19 -4.272 -3.055 4.991 1.00 0.60 C ATOM 290 CG ASP A 19 -5.094 -1.916 5.597 1.00 2.85 C ATOM 291 OD1 ASP A 19 -4.525 -1.125 6.327 1.00 4.11 O ATOM 292 OD2 ASP A 19 -6.281 -1.858 5.320 1.00 3.78 O ATOM 0 H ASP A 19 -2.257 -2.415 6.364 1.00 0.33 H new ATOM 0 HA ASP A 19 -2.522 -3.260 3.755 1.00 0.71 H new ATOM 0 HB2 ASP A 19 -4.860 -3.581 4.238 1.00 0.60 H new ATOM 0 HB3 ASP A 19 -4.017 -3.783 5.761 1.00 0.60 H new ATOM 297 N GLY A 20 -3.379 -0.110 4.025 1.00 1.21 N ATOM 298 CA GLY A 20 -3.716 1.081 3.195 1.00 2.51 C ATOM 299 C GLY A 20 -4.048 2.277 4.093 1.00 1.20 C ATOM 300 O GLY A 20 -5.158 2.423 4.564 1.00 1.16 O ATOM 0 H GLY A 20 -3.180 0.083 5.007 1.00 1.21 H new ATOM 0 HA2 GLY A 20 -2.878 1.328 2.544 1.00 2.51 H new ATOM 0 HA3 GLY A 20 -4.565 0.855 2.550 1.00 2.51 H new ATOM 304 N CYS A 21 -3.096 3.142 4.320 1.00 1.62 N ATOM 305 CA CYS A 21 -3.360 4.336 5.172 1.00 0.53 C ATOM 306 C CYS A 21 -3.394 5.581 4.284 1.00 1.33 C ATOM 307 O CYS A 21 -4.421 6.208 4.114 1.00 3.43 O ATOM 308 CB CYS A 21 -2.249 4.489 6.210 1.00 0.72 C ATOM 309 SG CYS A 21 -1.983 6.250 6.539 1.00 0.73 S ATOM 0 H CYS A 21 -2.147 3.073 3.952 1.00 1.62 H new ATOM 0 HA CYS A 21 -4.315 4.214 5.684 1.00 0.53 H new ATOM 0 HB2 CYS A 21 -2.520 3.971 7.130 1.00 0.72 H new ATOM 0 HB3 CYS A 21 -1.329 4.031 5.846 1.00 0.72 H new ATOM 314 N HIS A 22 -2.276 5.939 3.711 1.00 0.33 N ATOM 315 CA HIS A 22 -2.238 7.138 2.826 1.00 1.45 C ATOM 316 C HIS A 22 -0.785 7.498 2.509 1.00 1.53 C ATOM 317 O HIS A 22 -0.484 8.071 1.483 1.00 2.32 O ATOM 318 CB HIS A 22 -2.929 8.315 3.522 1.00 2.25 C ATOM 319 CG HIS A 22 -4.138 8.721 2.728 1.00 2.56 C ATOM 320 ND1 HIS A 22 -4.197 8.578 1.351 1.00 1.20 N ATOM 321 CD2 HIS A 22 -5.345 9.259 3.101 1.00 4.31 C ATOM 322 CE1 HIS A 22 -5.403 9.022 0.949 1.00 2.21 C ATOM 323 NE2 HIS A 22 -6.142 9.448 1.976 1.00 4.09 N ATOM 0 H HIS A 22 -1.386 5.452 3.818 1.00 0.33 H new ATOM 0 HA HIS A 22 -2.761 6.918 1.896 1.00 1.45 H new ATOM 0 HB2 HIS A 22 -3.222 8.033 4.533 1.00 2.25 H new ATOM 0 HB3 HIS A 22 -2.240 9.155 3.612 1.00 2.25 H new ATOM 0 HD2 HIS A 22 -5.632 9.499 4.114 1.00 4.31 H new ATOM 0 HE1 HIS A 22 -5.732 9.032 -0.079 1.00 2.21 H new ATOM 0 HE2 HIS A 22 -7.087 9.830 1.943 1.00 4.09 H new ATOM 331 N GLY A 23 0.112 7.154 3.384 1.00 1.06 N ATOM 332 CA GLY A 23 1.554 7.458 3.144 1.00 1.61 C ATOM 333 C GLY A 23 1.969 8.690 3.950 1.00 0.96 C ATOM 334 O GLY A 23 1.638 8.822 5.112 1.00 0.84 O ATOM 0 H GLY A 23 -0.088 6.673 4.261 1.00 1.06 H new ATOM 0 HA2 GLY A 23 2.167 6.603 3.429 1.00 1.61 H new ATOM 0 HA3 GLY A 23 1.726 7.633 2.082 1.00 1.61 H new ATOM 338 N SER A 24 2.700 9.587 3.341 1.00 0.74 N ATOM 339 CA SER A 24 3.150 10.811 4.066 1.00 0.51 C ATOM 340 C SER A 24 2.020 11.340 4.950 1.00 0.71 C ATOM 341 O SER A 24 2.252 11.858 6.024 1.00 1.05 O ATOM 342 CB SER A 24 3.544 11.888 3.053 1.00 0.86 C ATOM 343 OG SER A 24 3.851 13.091 3.744 1.00 1.51 O ATOM 0 H SER A 24 3.005 9.524 2.370 1.00 0.74 H new ATOM 0 HA SER A 24 4.008 10.560 4.690 1.00 0.51 H new ATOM 0 HB2 SER A 24 4.405 11.559 2.471 1.00 0.86 H new ATOM 0 HB3 SER A 24 2.729 12.057 2.349 1.00 0.86 H new ATOM 0 HG SER A 24 4.105 13.783 3.099 1.00 1.51 H new ATOM 349 N ASP A 25 0.799 11.212 4.510 1.00 0.73 N ATOM 350 CA ASP A 25 -0.344 11.707 5.327 1.00 0.97 C ATOM 351 C ASP A 25 -0.466 10.862 6.595 1.00 0.83 C ATOM 352 O ASP A 25 0.100 9.791 6.683 1.00 0.66 O ATOM 353 CB ASP A 25 -1.637 11.587 4.518 1.00 1.14 C ATOM 354 CG ASP A 25 -2.262 12.970 4.336 1.00 1.68 C ATOM 355 OD1 ASP A 25 -1.518 13.912 4.119 1.00 1.59 O ATOM 356 OD2 ASP A 25 -3.476 13.065 4.414 1.00 2.25 O ATOM 0 H ASP A 25 0.543 10.786 3.619 1.00 0.73 H new ATOM 0 HA ASP A 25 -0.173 12.750 5.595 1.00 0.97 H new ATOM 0 HB2 ASP A 25 -1.429 11.141 3.546 1.00 1.14 H new ATOM 0 HB3 ASP A 25 -2.337 10.926 5.029 1.00 1.14 H new ATOM 361 N PRO A 26 -1.217 11.370 7.534 1.00 1.23 N ATOM 362 CA PRO A 26 -1.461 10.687 8.811 1.00 1.31 C ATOM 363 C PRO A 26 -2.502 9.580 8.618 1.00 0.77 C ATOM 364 O PRO A 26 -3.226 9.562 7.643 1.00 0.67 O ATOM 365 CB PRO A 26 -1.994 11.797 9.719 1.00 1.94 C ATOM 366 CG PRO A 26 -2.550 12.897 8.782 1.00 2.17 C ATOM 367 CD PRO A 26 -1.891 12.677 7.406 1.00 1.80 C ATOM 0 HA PRO A 26 -0.575 10.206 9.224 1.00 1.31 H new ATOM 0 HB2 PRO A 26 -2.774 11.418 10.379 1.00 1.94 H new ATOM 0 HB3 PRO A 26 -1.202 12.192 10.355 1.00 1.94 H new ATOM 0 HG2 PRO A 26 -3.635 12.830 8.707 1.00 2.17 H new ATOM 0 HG3 PRO A 26 -2.318 13.889 9.169 1.00 2.17 H new ATOM 0 HD2 PRO A 26 -2.632 12.667 6.606 1.00 1.80 H new ATOM 0 HD3 PRO A 26 -1.181 13.470 7.173 1.00 1.80 H new ATOM 375 N CYS A 27 -2.579 8.658 9.533 1.00 0.70 N ATOM 376 CA CYS A 27 -3.569 7.553 9.394 1.00 0.45 C ATOM 377 C CYS A 27 -4.577 7.628 10.541 1.00 0.43 C ATOM 378 O CYS A 27 -4.280 8.125 11.606 1.00 0.45 O ATOM 379 CB CYS A 27 -2.832 6.214 9.446 1.00 0.94 C ATOM 380 SG CYS A 27 -1.325 6.315 8.447 1.00 0.66 S ATOM 0 H CYS A 27 -2.000 8.620 10.372 1.00 0.70 H new ATOM 0 HA CYS A 27 -4.096 7.645 8.444 1.00 0.45 H new ATOM 0 HB2 CYS A 27 -2.582 5.964 10.477 1.00 0.94 H new ATOM 0 HB3 CYS A 27 -3.476 5.418 9.073 1.00 0.94 H new ATOM 385 N ILE A 28 -5.766 7.135 10.341 1.00 0.41 N ATOM 386 CA ILE A 28 -6.775 7.179 11.428 1.00 0.40 C ATOM 387 C ILE A 28 -6.963 5.771 11.984 1.00 0.40 C ATOM 388 O ILE A 28 -7.515 4.903 11.338 1.00 0.47 O ATOM 389 CB ILE A 28 -8.106 7.698 10.886 1.00 0.34 C ATOM 390 CG1 ILE A 28 -7.917 9.113 10.333 1.00 0.40 C ATOM 391 CG2 ILE A 28 -9.127 7.730 12.023 1.00 0.29 C ATOM 392 CD1 ILE A 28 -7.370 10.023 11.435 1.00 0.44 C ATOM 0 H ILE A 28 -6.081 6.704 9.472 1.00 0.41 H new ATOM 0 HA ILE A 28 -6.432 7.848 12.217 1.00 0.40 H new ATOM 0 HB ILE A 28 -8.459 7.044 10.089 1.00 0.34 H new ATOM 0 HG12 ILE A 28 -7.230 9.095 9.487 1.00 0.40 H new ATOM 0 HG13 ILE A 28 -8.867 9.501 9.965 1.00 0.40 H new ATOM 0 HG21 ILE A 28 -10.081 8.099 11.645 1.00 0.29 H new ATOM 0 HG22 ILE A 28 -9.260 6.724 12.421 1.00 0.29 H new ATOM 0 HG23 ILE A 28 -8.770 8.389 12.814 1.00 0.29 H new ATOM 0 HD11 ILE A 28 -7.235 11.031 11.041 1.00 0.44 H new ATOM 0 HD12 ILE A 28 -8.073 10.050 12.267 1.00 0.44 H new ATOM 0 HD13 ILE A 28 -6.411 9.638 11.782 1.00 0.44 H new ATOM 404 N ILE A 29 -6.499 5.538 13.175 1.00 0.33 N ATOM 405 CA ILE A 29 -6.637 4.186 13.776 1.00 0.31 C ATOM 406 C ILE A 29 -7.939 4.117 14.575 1.00 0.35 C ATOM 407 O ILE A 29 -8.142 4.862 15.511 1.00 0.34 O ATOM 408 CB ILE A 29 -5.437 3.925 14.690 1.00 0.25 C ATOM 409 CG1 ILE A 29 -4.217 3.576 13.833 1.00 0.19 C ATOM 410 CG2 ILE A 29 -5.743 2.761 15.631 1.00 0.41 C ATOM 411 CD1 ILE A 29 -3.079 4.555 14.131 1.00 0.10 C ATOM 0 H ILE A 29 -6.028 6.227 13.761 1.00 0.33 H new ATOM 0 HA ILE A 29 -6.665 3.427 12.994 1.00 0.31 H new ATOM 0 HB ILE A 29 -5.233 4.819 15.280 1.00 0.25 H new ATOM 0 HG12 ILE A 29 -3.895 2.555 14.040 1.00 0.19 H new ATOM 0 HG13 ILE A 29 -4.479 3.619 12.776 1.00 0.19 H new ATOM 0 HG21 ILE A 29 -4.885 2.581 16.278 1.00 0.41 H new ATOM 0 HG22 ILE A 29 -6.613 3.005 16.241 1.00 0.41 H new ATOM 0 HG23 ILE A 29 -5.950 1.865 15.046 1.00 0.41 H new ATOM 0 HD11 ILE A 29 -2.213 4.303 13.519 1.00 0.10 H new ATOM 0 HD12 ILE A 29 -3.403 5.570 13.901 1.00 0.10 H new ATOM 0 HD13 ILE A 29 -2.810 4.490 15.185 1.00 0.10 H new ATOM 423 N HIS A 30 -8.828 3.234 14.203 1.00 0.39 N ATOM 424 CA HIS A 30 -10.125 3.128 14.931 1.00 0.41 C ATOM 425 C HIS A 30 -9.965 2.236 16.165 1.00 0.22 C ATOM 426 O HIS A 30 -9.706 1.054 16.065 1.00 0.38 O ATOM 427 CB HIS A 30 -11.188 2.536 14.002 1.00 0.55 C ATOM 428 CG HIS A 30 -11.141 3.237 12.671 1.00 0.76 C ATOM 429 ND1 HIS A 30 -12.022 4.254 12.339 1.00 0.68 N ATOM 430 CD2 HIS A 30 -10.325 3.077 11.577 1.00 1.11 C ATOM 431 CE1 HIS A 30 -11.720 4.663 11.093 1.00 0.90 C ATOM 432 NE2 HIS A 30 -10.692 3.979 10.582 1.00 1.17 N ATOM 0 H HIS A 30 -8.711 2.582 13.427 1.00 0.39 H new ATOM 0 HA HIS A 30 -10.435 4.123 15.251 1.00 0.41 H new ATOM 0 HB2 HIS A 30 -11.015 1.468 13.868 1.00 0.55 H new ATOM 0 HB3 HIS A 30 -12.177 2.645 14.448 1.00 0.55 H new ATOM 0 HD2 HIS A 30 -9.521 2.360 11.501 1.00 1.11 H new ATOM 0 HE1 HIS A 30 -12.245 5.449 10.570 1.00 0.90 H new ATOM 0 HE2 HIS A 30 -10.268 4.093 9.661 1.00 1.17 H new ATOM 440 N ARG A 31 -10.114 2.806 17.328 1.00 0.34 N ATOM 441 CA ARG A 31 -9.975 2.029 18.589 1.00 0.36 C ATOM 442 C ARG A 31 -10.781 0.730 18.528 1.00 0.13 C ATOM 443 O ARG A 31 -11.828 0.659 17.914 1.00 0.41 O ATOM 444 CB ARG A 31 -10.513 2.872 19.738 1.00 0.73 C ATOM 445 CG ARG A 31 -9.460 2.987 20.827 1.00 1.99 C ATOM 446 CD ARG A 31 -9.864 4.108 21.775 1.00 1.54 C ATOM 447 NE ARG A 31 -11.346 4.109 21.939 1.00 1.37 N ATOM 448 CZ ARG A 31 -11.870 4.135 23.133 1.00 1.40 C ATOM 449 NH1 ARG A 31 -11.558 5.092 23.962 1.00 1.92 N ATOM 450 NH2 ARG A 31 -12.713 3.206 23.495 1.00 1.28 N ATOM 0 H ARG A 31 -10.330 3.794 17.459 1.00 0.34 H new ATOM 0 HA ARG A 31 -8.923 1.784 18.733 1.00 0.36 H new ATOM 0 HB2 ARG A 31 -10.786 3.864 19.377 1.00 0.73 H new ATOM 0 HB3 ARG A 31 -11.419 2.419 20.141 1.00 0.73 H new ATOM 0 HG2 ARG A 31 -9.372 2.046 21.370 1.00 1.99 H new ATOM 0 HG3 ARG A 31 -8.484 3.195 20.389 1.00 1.99 H new ATOM 0 HD2 ARG A 31 -9.380 3.973 22.742 1.00 1.54 H new ATOM 0 HD3 ARG A 31 -9.530 5.069 21.383 1.00 1.54 H new ATOM 0 HE ARG A 31 -11.950 4.089 21.117 1.00 1.37 H new ATOM 0 HH11 ARG A 31 -10.904 5.821 23.677 1.00 1.92 H new ATOM 0 HH12 ARG A 31 -11.968 5.112 24.896 1.00 1.92 H new ATOM 0 HH21 ARG A 31 -12.961 2.461 22.844 1.00 1.28 H new ATOM 0 HH22 ARG A 31 -13.123 3.225 24.429 1.00 1.28 H new ATOM 464 N GLY A 32 -10.305 -0.290 19.190 1.00 0.45 N ATOM 465 CA GLY A 32 -11.039 -1.588 19.213 1.00 0.54 C ATOM 466 C GLY A 32 -10.788 -2.383 17.923 1.00 0.63 C ATOM 467 O GLY A 32 -10.944 -3.587 17.893 1.00 0.93 O ATOM 0 H GLY A 32 -9.433 -0.280 19.719 1.00 0.45 H new ATOM 0 HA2 GLY A 32 -10.721 -2.175 20.074 1.00 0.54 H new ATOM 0 HA3 GLY A 32 -12.107 -1.404 19.330 1.00 0.54 H new ATOM 471 N LYS A 33 -10.410 -1.732 16.857 1.00 0.47 N ATOM 472 CA LYS A 33 -10.165 -2.467 15.585 1.00 0.55 C ATOM 473 C LYS A 33 -8.688 -2.844 15.483 1.00 0.57 C ATOM 474 O LYS A 33 -7.840 -2.208 16.075 1.00 0.58 O ATOM 475 CB LYS A 33 -10.536 -1.575 14.399 1.00 0.52 C ATOM 476 CG LYS A 33 -9.275 -1.265 13.588 1.00 0.51 C ATOM 477 CD LYS A 33 -9.594 -0.229 12.509 1.00 0.83 C ATOM 478 CE LYS A 33 -11.015 -0.447 11.988 1.00 1.06 C ATOM 479 NZ LYS A 33 -11.129 -1.821 11.425 1.00 2.94 N ATOM 0 H LYS A 33 -10.261 -0.724 16.812 1.00 0.47 H new ATOM 0 HA LYS A 33 -10.774 -3.371 15.572 1.00 0.55 H new ATOM 0 HB2 LYS A 33 -11.274 -2.074 13.770 1.00 0.52 H new ATOM 0 HB3 LYS A 33 -10.992 -0.650 14.753 1.00 0.52 H new ATOM 0 HG2 LYS A 33 -8.492 -0.889 14.246 1.00 0.51 H new ATOM 0 HG3 LYS A 33 -8.894 -2.177 13.128 1.00 0.51 H new ATOM 0 HD2 LYS A 33 -9.497 0.777 12.917 1.00 0.83 H new ATOM 0 HD3 LYS A 33 -8.880 -0.311 11.690 1.00 0.83 H new ATOM 0 HE2 LYS A 33 -11.735 -0.312 12.795 1.00 1.06 H new ATOM 0 HE3 LYS A 33 -11.251 0.292 11.223 1.00 1.06 H new ATOM 0 HZ1 LYS A 33 -11.407 -1.764 10.425 1.00 2.94 H new ATOM 0 HZ2 LYS A 33 -10.212 -2.305 11.502 1.00 2.94 H new ATOM 0 HZ3 LYS A 33 -11.848 -2.355 11.954 1.00 2.94 H new ATOM 493 N PRO A 34 -8.433 -3.875 14.730 1.00 0.63 N ATOM 494 CA PRO A 34 -7.071 -4.383 14.507 1.00 0.71 C ATOM 495 C PRO A 34 -6.337 -3.527 13.469 1.00 0.72 C ATOM 496 O PRO A 34 -6.939 -2.792 12.711 1.00 1.40 O ATOM 497 CB PRO A 34 -7.305 -5.802 13.984 1.00 0.80 C ATOM 498 CG PRO A 34 -8.740 -5.823 13.402 1.00 0.77 C ATOM 499 CD PRO A 34 -9.489 -4.631 14.029 1.00 0.67 C ATOM 0 HA PRO A 34 -6.451 -4.359 15.403 1.00 0.71 H new ATOM 0 HB2 PRO A 34 -6.572 -6.060 13.219 1.00 0.80 H new ATOM 0 HB3 PRO A 34 -7.200 -6.533 14.785 1.00 0.80 H new ATOM 0 HG2 PRO A 34 -8.718 -5.738 12.316 1.00 0.77 H new ATOM 0 HG3 PRO A 34 -9.240 -6.762 13.639 1.00 0.77 H new ATOM 0 HD2 PRO A 34 -9.978 -4.022 13.269 1.00 0.67 H new ATOM 0 HD3 PRO A 34 -10.265 -4.965 14.718 1.00 0.67 H new ATOM 507 N PHE A 35 -5.036 -3.628 13.431 1.00 0.59 N ATOM 508 CA PHE A 35 -4.240 -2.839 12.449 1.00 0.50 C ATOM 509 C PHE A 35 -3.199 -3.767 11.824 1.00 0.41 C ATOM 510 O PHE A 35 -2.398 -4.362 12.513 1.00 0.58 O ATOM 511 CB PHE A 35 -3.537 -1.687 13.170 1.00 0.64 C ATOM 512 CG PHE A 35 -3.423 -0.502 12.246 1.00 0.50 C ATOM 513 CD1 PHE A 35 -4.577 0.117 11.755 1.00 0.59 C ATOM 514 CD2 PHE A 35 -2.162 -0.026 11.879 1.00 0.42 C ATOM 515 CE1 PHE A 35 -4.468 1.214 10.896 1.00 0.53 C ATOM 516 CE2 PHE A 35 -2.050 1.071 11.020 1.00 0.41 C ATOM 517 CZ PHE A 35 -3.205 1.692 10.526 1.00 0.41 C ATOM 0 H PHE A 35 -4.486 -4.229 14.044 1.00 0.59 H new ATOM 0 HA PHE A 35 -4.890 -2.428 11.676 1.00 0.50 H new ATOM 0 HB2 PHE A 35 -4.096 -1.410 14.064 1.00 0.64 H new ATOM 0 HB3 PHE A 35 -2.546 -2.001 13.498 1.00 0.64 H new ATOM 0 HD1 PHE A 35 -5.551 -0.252 12.039 1.00 0.59 H new ATOM 0 HD2 PHE A 35 -1.273 -0.506 12.259 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -5.359 1.693 10.517 1.00 0.53 H new ATOM 0 HE2 PHE A 35 -1.075 1.439 10.737 1.00 0.41 H new ATOM 0 HZ PHE A 35 -3.121 2.538 9.861 1.00 0.41 H new ATOM 527 N THR A 36 -3.204 -3.914 10.533 1.00 0.23 N ATOM 528 CA THR A 36 -2.217 -4.832 9.901 1.00 0.36 C ATOM 529 C THR A 36 -1.003 -4.050 9.406 1.00 0.28 C ATOM 530 O THR A 36 -1.125 -3.087 8.676 1.00 0.24 O ATOM 531 CB THR A 36 -2.869 -5.553 8.721 1.00 0.47 C ATOM 532 OG1 THR A 36 -3.696 -6.603 9.204 1.00 0.55 O ATOM 533 CG2 THR A 36 -1.781 -6.132 7.816 1.00 0.98 C ATOM 0 H THR A 36 -3.842 -3.444 9.890 1.00 0.23 H new ATOM 0 HA THR A 36 -1.891 -5.560 10.644 1.00 0.36 H new ATOM 0 HB THR A 36 -3.476 -4.848 8.153 1.00 0.47 H new ATOM 0 HG1 THR A 36 -4.115 -7.064 8.447 1.00 0.55 H new ATOM 0 HG21 THR A 36 -2.244 -6.647 6.974 1.00 0.98 H new ATOM 0 HG22 THR A 36 -1.149 -5.325 7.445 1.00 0.98 H new ATOM 0 HG23 THR A 36 -1.174 -6.838 8.383 1.00 0.98 H new ATOM 541 N LEU A 37 0.171 -4.472 9.781 1.00 0.26 N ATOM 542 CA LEU A 37 1.393 -3.771 9.313 1.00 0.19 C ATOM 543 C LEU A 37 2.473 -4.810 9.018 1.00 0.15 C ATOM 544 O LEU A 37 2.843 -5.592 9.871 1.00 0.12 O ATOM 545 CB LEU A 37 1.889 -2.808 10.395 1.00 0.20 C ATOM 546 CG LEU A 37 1.708 -3.444 11.775 1.00 0.73 C ATOM 547 CD1 LEU A 37 3.048 -3.457 12.511 1.00 3.40 C ATOM 548 CD2 LEU A 37 0.696 -2.629 12.579 1.00 1.82 C ATOM 0 H LEU A 37 0.335 -5.272 10.392 1.00 0.26 H new ATOM 0 HA LEU A 37 1.167 -3.202 8.411 1.00 0.19 H new ATOM 0 HB2 LEU A 37 2.940 -2.569 10.229 1.00 0.20 H new ATOM 0 HB3 LEU A 37 1.337 -1.870 10.341 1.00 0.20 H new ATOM 0 HG LEU A 37 1.347 -4.466 11.660 1.00 0.73 H new ATOM 0 HD11 LEU A 37 2.919 -3.910 13.494 1.00 3.40 H new ATOM 0 HD12 LEU A 37 3.773 -4.035 11.937 1.00 3.40 H new ATOM 0 HD13 LEU A 37 3.409 -2.435 12.627 1.00 3.40 H new ATOM 0 HD21 LEU A 37 0.565 -3.080 13.563 1.00 1.82 H new ATOM 0 HD22 LEU A 37 1.060 -1.608 12.693 1.00 1.82 H new ATOM 0 HD23 LEU A 37 -0.260 -2.617 12.055 1.00 1.82 H new ATOM 560 N GLU A 38 2.987 -4.819 7.822 1.00 0.17 N ATOM 561 CA GLU A 38 4.048 -5.802 7.477 1.00 0.15 C ATOM 562 C GLU A 38 5.402 -5.118 7.628 1.00 0.07 C ATOM 563 O GLU A 38 5.631 -4.055 7.083 1.00 0.10 O ATOM 564 CB GLU A 38 3.863 -6.271 6.030 1.00 0.20 C ATOM 565 CG GLU A 38 3.148 -7.625 6.021 1.00 0.90 C ATOM 566 CD GLU A 38 2.768 -7.997 4.587 1.00 1.33 C ATOM 567 OE1 GLU A 38 2.225 -7.147 3.901 1.00 2.40 O ATOM 568 OE2 GLU A 38 3.029 -9.122 4.199 1.00 0.66 O ATOM 0 H GLU A 38 2.718 -4.187 7.068 1.00 0.17 H new ATOM 0 HA GLU A 38 3.990 -6.667 8.137 1.00 0.15 H new ATOM 0 HB2 GLU A 38 3.283 -5.538 5.470 1.00 0.20 H new ATOM 0 HB3 GLU A 38 4.831 -6.356 5.537 1.00 0.20 H new ATOM 0 HG2 GLU A 38 3.795 -8.392 6.447 1.00 0.90 H new ATOM 0 HG3 GLU A 38 2.255 -7.580 6.644 1.00 0.90 H new ATOM 575 N ALA A 39 6.300 -5.694 8.376 1.00 0.15 N ATOM 576 CA ALA A 39 7.613 -5.034 8.553 1.00 0.23 C ATOM 577 C ALA A 39 8.736 -5.971 8.142 1.00 0.19 C ATOM 578 O ALA A 39 8.938 -7.020 8.722 1.00 0.18 O ATOM 579 CB ALA A 39 7.790 -4.648 10.019 1.00 0.37 C ATOM 0 H ALA A 39 6.181 -6.581 8.865 1.00 0.15 H new ATOM 0 HA ALA A 39 7.648 -4.143 7.926 1.00 0.23 H new ATOM 0 HB1 ALA A 39 8.756 -4.162 10.153 1.00 0.37 H new ATOM 0 HB2 ALA A 39 6.995 -3.963 10.313 1.00 0.37 H new ATOM 0 HB3 ALA A 39 7.745 -5.543 10.639 1.00 0.37 H new ATOM 585 N LEU A 40 9.493 -5.580 7.164 1.00 0.19 N ATOM 586 CA LEU A 40 10.636 -6.417 6.731 1.00 0.16 C ATOM 587 C LEU A 40 11.848 -5.923 7.500 1.00 0.13 C ATOM 588 O LEU A 40 11.991 -4.744 7.730 1.00 0.10 O ATOM 589 CB LEU A 40 10.877 -6.249 5.229 1.00 0.16 C ATOM 590 CG LEU A 40 9.607 -6.600 4.453 1.00 0.25 C ATOM 591 CD1 LEU A 40 9.535 -5.751 3.183 1.00 0.33 C ATOM 592 CD2 LEU A 40 9.642 -8.079 4.068 1.00 0.24 C ATOM 0 H LEU A 40 9.369 -4.712 6.643 1.00 0.19 H new ATOM 0 HA LEU A 40 10.442 -7.472 6.924 1.00 0.16 H new ATOM 0 HB2 LEU A 40 11.173 -5.223 5.012 1.00 0.16 H new ATOM 0 HB3 LEU A 40 11.697 -6.892 4.910 1.00 0.16 H new ATOM 0 HG LEU A 40 8.734 -6.402 5.075 1.00 0.25 H new ATOM 0 HD11 LEU A 40 8.630 -6.001 2.629 1.00 0.33 H new ATOM 0 HD12 LEU A 40 9.516 -4.695 3.452 1.00 0.33 H new ATOM 0 HD13 LEU A 40 10.408 -5.952 2.561 1.00 0.33 H new ATOM 0 HD21 LEU A 40 8.738 -8.332 3.515 1.00 0.24 H new ATOM 0 HD22 LEU A 40 10.515 -8.272 3.445 1.00 0.24 H new ATOM 0 HD23 LEU A 40 9.698 -8.689 4.970 1.00 0.24 H new ATOM 604 N PHE A 41 12.713 -6.788 7.922 1.00 0.14 N ATOM 605 CA PHE A 41 13.890 -6.306 8.685 1.00 0.12 C ATOM 606 C PHE A 41 15.005 -7.338 8.616 1.00 0.11 C ATOM 607 O PHE A 41 14.768 -8.528 8.659 1.00 0.06 O ATOM 608 CB PHE A 41 13.488 -6.066 10.142 1.00 0.13 C ATOM 609 CG PHE A 41 12.762 -7.273 10.667 1.00 0.13 C ATOM 610 CD1 PHE A 41 11.370 -7.363 10.543 1.00 0.04 C ATOM 611 CD2 PHE A 41 13.481 -8.299 11.279 1.00 0.21 C ATOM 612 CE1 PHE A 41 10.695 -8.489 11.034 1.00 0.04 C ATOM 613 CE2 PHE A 41 12.816 -9.422 11.773 1.00 0.21 C ATOM 614 CZ PHE A 41 11.420 -9.521 11.651 1.00 0.13 C ATOM 0 H PHE A 41 12.661 -7.796 7.776 1.00 0.14 H new ATOM 0 HA PHE A 41 14.247 -5.371 8.252 1.00 0.12 H new ATOM 0 HB2 PHE A 41 14.373 -5.869 10.747 1.00 0.13 H new ATOM 0 HB3 PHE A 41 12.850 -5.185 10.214 1.00 0.13 H new ATOM 0 HD1 PHE A 41 10.817 -6.565 10.069 1.00 0.04 H new ATOM 0 HD2 PHE A 41 14.554 -8.224 11.371 1.00 0.21 H new ATOM 0 HE1 PHE A 41 9.622 -8.562 10.938 1.00 0.04 H new ATOM 0 HE2 PHE A 41 13.374 -10.215 12.249 1.00 0.21 H new ATOM 0 HZ PHE A 41 10.905 -10.390 12.032 1.00 0.13 H new ATOM 624 N ASP A 42 16.222 -6.896 8.517 1.00 0.17 N ATOM 625 CA ASP A 42 17.349 -7.866 8.455 1.00 0.16 C ATOM 626 C ASP A 42 17.777 -8.210 9.876 1.00 0.14 C ATOM 627 O ASP A 42 18.322 -7.396 10.595 1.00 0.14 O ATOM 628 CB ASP A 42 18.524 -7.257 7.687 1.00 0.19 C ATOM 629 CG ASP A 42 18.172 -7.170 6.200 1.00 0.14 C ATOM 630 OD1 ASP A 42 17.029 -6.869 5.898 1.00 0.48 O ATOM 631 OD2 ASP A 42 19.053 -7.405 5.389 1.00 0.61 O ATOM 0 H ASP A 42 16.487 -5.912 8.476 1.00 0.17 H new ATOM 0 HA ASP A 42 17.029 -8.770 7.937 1.00 0.16 H new ATOM 0 HB2 ASP A 42 18.751 -6.265 8.076 1.00 0.19 H new ATOM 0 HB3 ASP A 42 19.417 -7.866 7.825 1.00 0.19 H new ATOM 636 N ALA A 43 17.525 -9.416 10.283 1.00 0.13 N ATOM 637 CA ALA A 43 17.893 -9.842 11.651 1.00 0.11 C ATOM 638 C ALA A 43 19.323 -9.394 11.955 1.00 0.09 C ATOM 639 O ALA A 43 20.270 -9.857 11.348 1.00 0.09 O ATOM 640 CB ALA A 43 17.813 -11.363 11.710 1.00 0.13 C ATOM 0 H ALA A 43 17.073 -10.134 9.717 1.00 0.13 H new ATOM 0 HA ALA A 43 17.218 -9.398 12.383 1.00 0.11 H new ATOM 0 HB1 ALA A 43 18.080 -11.703 12.711 1.00 0.13 H new ATOM 0 HB2 ALA A 43 16.797 -11.683 11.477 1.00 0.13 H new ATOM 0 HB3 ALA A 43 18.504 -11.792 10.984 1.00 0.13 H new ATOM 646 N ASN A 44 19.491 -8.499 12.886 1.00 0.14 N ATOM 647 CA ASN A 44 20.863 -8.029 13.218 1.00 0.20 C ATOM 648 C ASN A 44 21.496 -8.983 14.230 1.00 0.20 C ATOM 649 O ASN A 44 22.544 -8.712 14.783 1.00 0.26 O ATOM 650 CB ASN A 44 20.791 -6.622 13.817 1.00 0.24 C ATOM 651 CG ASN A 44 20.451 -6.717 15.306 1.00 0.21 C ATOM 652 OD1 ASN A 44 21.228 -7.229 16.087 1.00 0.18 O ATOM 653 ND2 ASN A 44 19.314 -6.241 15.734 1.00 0.29 N ATOM 0 H ASN A 44 18.740 -8.074 13.430 1.00 0.14 H new ATOM 0 HA ASN A 44 21.469 -8.006 12.312 1.00 0.20 H new ATOM 0 HB2 ASN A 44 21.743 -6.109 13.683 1.00 0.24 H new ATOM 0 HB3 ASN A 44 20.035 -6.033 13.298 1.00 0.24 H new ATOM 0 HD21 ASN A 44 19.077 -6.299 16.725 1.00 0.29 H new ATOM 0 HD22 ASN A 44 18.662 -5.811 15.078 1.00 0.29 H new ATOM 660 N GLN A 45 20.869 -10.098 14.477 1.00 0.18 N ATOM 661 CA GLN A 45 21.434 -11.069 15.450 1.00 0.25 C ATOM 662 C GLN A 45 20.714 -12.410 15.306 1.00 0.19 C ATOM 663 O GLN A 45 19.548 -12.465 14.967 1.00 0.31 O ATOM 664 CB GLN A 45 21.250 -10.544 16.865 1.00 0.33 C ATOM 665 CG GLN A 45 19.771 -10.594 17.232 1.00 0.30 C ATOM 666 CD GLN A 45 19.449 -9.459 18.207 1.00 0.33 C ATOM 667 OE1 GLN A 45 19.998 -8.380 18.102 1.00 0.37 O ATOM 668 NE2 GLN A 45 18.578 -9.657 19.159 1.00 0.62 N ATOM 0 H GLN A 45 19.988 -10.378 14.046 1.00 0.18 H new ATOM 0 HA GLN A 45 22.497 -11.202 15.251 1.00 0.25 H new ATOM 0 HB2 GLN A 45 21.831 -11.143 17.566 1.00 0.33 H new ATOM 0 HB3 GLN A 45 21.620 -9.521 16.937 1.00 0.33 H new ATOM 0 HG2 GLN A 45 19.159 -10.501 16.335 1.00 0.30 H new ATOM 0 HG3 GLN A 45 19.530 -11.556 17.684 1.00 0.30 H new ATOM 0 HE21 GLN A 45 18.117 -10.562 19.248 1.00 0.62 H new ATOM 0 HE22 GLN A 45 18.359 -8.906 19.814 1.00 0.62 H new ATOM 677 N ASN A 46 21.390 -13.493 15.567 1.00 0.23 N ATOM 678 CA ASN A 46 20.724 -14.822 15.447 1.00 0.30 C ATOM 679 C ASN A 46 20.016 -15.143 16.762 1.00 0.35 C ATOM 680 O ASN A 46 20.643 -15.454 17.756 1.00 0.70 O ATOM 681 CB ASN A 46 21.751 -15.920 15.126 1.00 0.47 C ATOM 682 CG ASN A 46 23.126 -15.548 15.685 1.00 1.21 C ATOM 683 OD1 ASN A 46 23.353 -15.626 16.876 1.00 1.54 O ATOM 684 ND2 ASN A 46 24.062 -15.148 14.868 1.00 2.06 N ATOM 0 H ASN A 46 22.368 -13.518 15.856 1.00 0.23 H new ATOM 0 HA ASN A 46 20.000 -14.785 14.633 1.00 0.30 H new ATOM 0 HB2 ASN A 46 21.423 -16.868 15.552 1.00 0.47 H new ATOM 0 HB3 ASN A 46 21.816 -16.061 14.047 1.00 0.47 H new ATOM 0 HD21 ASN A 46 24.983 -14.901 15.230 1.00 2.06 H new ATOM 0 HD22 ASN A 46 23.872 -15.082 13.868 1.00 2.06 H new ATOM 691 N THR A 47 18.714 -15.054 16.782 1.00 0.18 N ATOM 692 CA THR A 47 17.968 -15.336 18.037 1.00 0.14 C ATOM 693 C THR A 47 16.947 -16.455 17.794 1.00 0.15 C ATOM 694 O THR A 47 16.495 -16.668 16.686 1.00 0.17 O ATOM 695 CB THR A 47 17.247 -14.062 18.475 1.00 0.08 C ATOM 696 OG1 THR A 47 16.144 -14.401 19.301 1.00 0.40 O ATOM 697 CG2 THR A 47 16.757 -13.310 17.237 1.00 0.32 C ATOM 0 H THR A 47 18.136 -14.798 15.982 1.00 0.18 H new ATOM 0 HA THR A 47 18.660 -15.656 18.816 1.00 0.14 H new ATOM 0 HB THR A 47 17.931 -13.427 19.037 1.00 0.08 H new ATOM 0 HG1 THR A 47 15.375 -13.840 19.067 1.00 0.40 H new ATOM 0 HG21 THR A 47 16.242 -12.400 17.544 1.00 0.32 H new ATOM 0 HG22 THR A 47 17.609 -13.050 16.608 1.00 0.32 H new ATOM 0 HG23 THR A 47 16.071 -13.943 16.675 1.00 0.32 H new ATOM 705 N LYS A 48 16.585 -17.172 18.824 1.00 0.20 N ATOM 706 CA LYS A 48 15.599 -18.280 18.660 1.00 0.23 C ATOM 707 C LYS A 48 14.191 -17.745 18.844 1.00 0.28 C ATOM 708 O LYS A 48 13.218 -18.404 18.539 1.00 0.30 O ATOM 709 CB LYS A 48 15.871 -19.362 19.701 1.00 0.22 C ATOM 710 CG LYS A 48 17.002 -20.246 19.197 1.00 0.23 C ATOM 711 CD LYS A 48 16.419 -21.373 18.342 1.00 0.19 C ATOM 712 CE LYS A 48 15.443 -22.199 19.185 1.00 0.25 C ATOM 713 NZ LYS A 48 15.294 -23.560 18.594 1.00 0.53 N ATOM 0 H LYS A 48 16.930 -17.038 19.774 1.00 0.20 H new ATOM 0 HA LYS A 48 15.696 -18.703 17.660 1.00 0.23 H new ATOM 0 HB2 LYS A 48 16.141 -18.910 20.655 1.00 0.22 H new ATOM 0 HB3 LYS A 48 14.974 -19.956 19.872 1.00 0.22 H new ATOM 0 HG2 LYS A 48 17.707 -19.656 18.611 1.00 0.23 H new ATOM 0 HG3 LYS A 48 17.557 -20.662 20.038 1.00 0.23 H new ATOM 0 HD2 LYS A 48 15.906 -20.958 17.474 1.00 0.19 H new ATOM 0 HD3 LYS A 48 17.219 -22.009 17.965 1.00 0.19 H new ATOM 0 HE2 LYS A 48 15.807 -22.275 20.210 1.00 0.25 H new ATOM 0 HE3 LYS A 48 14.474 -21.702 19.227 1.00 0.25 H new ATOM 0 HZ1 LYS A 48 14.631 -24.118 19.169 1.00 0.53 H new ATOM 0 HZ2 LYS A 48 14.928 -23.479 17.624 1.00 0.53 H new ATOM 0 HZ3 LYS A 48 16.220 -24.034 18.576 1.00 0.53 H new ATOM 727 N THR A 49 14.074 -16.555 19.339 1.00 0.32 N ATOM 728 CA THR A 49 12.726 -15.984 19.540 1.00 0.38 C ATOM 729 C THR A 49 12.754 -14.483 19.316 1.00 0.32 C ATOM 730 O THR A 49 13.640 -13.779 19.760 1.00 0.24 O ATOM 731 CB THR A 49 12.246 -16.281 20.953 1.00 0.45 C ATOM 732 OG1 THR A 49 13.301 -16.045 21.874 1.00 0.39 O ATOM 733 CG2 THR A 49 11.812 -17.739 21.025 1.00 0.53 C ATOM 0 H THR A 49 14.851 -15.954 19.613 1.00 0.32 H new ATOM 0 HA THR A 49 12.042 -16.437 18.823 1.00 0.38 H new ATOM 0 HB THR A 49 11.406 -15.634 21.206 1.00 0.45 H new ATOM 0 HG1 THR A 49 13.919 -15.383 21.501 1.00 0.39 H new ATOM 0 HG21 THR A 49 11.465 -17.966 22.033 1.00 0.53 H new ATOM 0 HG22 THR A 49 11.003 -17.913 20.315 1.00 0.53 H new ATOM 0 HG23 THR A 49 12.656 -18.383 20.778 1.00 0.53 H new ATOM 741 N ALA A 50 11.768 -13.997 18.641 1.00 0.36 N ATOM 742 CA ALA A 50 11.673 -12.548 18.372 1.00 0.31 C ATOM 743 C ALA A 50 10.290 -12.095 18.811 1.00 0.39 C ATOM 744 O ALA A 50 9.355 -12.861 18.767 1.00 0.51 O ATOM 745 CB ALA A 50 11.857 -12.286 16.880 1.00 0.28 C ATOM 0 H ALA A 50 11.006 -14.554 18.255 1.00 0.36 H new ATOM 0 HA ALA A 50 12.446 -12.002 18.913 1.00 0.31 H new ATOM 0 HB1 ALA A 50 11.786 -11.216 16.687 1.00 0.28 H new ATOM 0 HB2 ALA A 50 12.836 -12.647 16.565 1.00 0.28 H new ATOM 0 HB3 ALA A 50 11.081 -12.808 16.320 1.00 0.28 H new ATOM 751 N LYS A 51 10.150 -10.878 19.250 1.00 0.36 N ATOM 752 CA LYS A 51 8.813 -10.410 19.710 1.00 0.45 C ATOM 753 C LYS A 51 8.516 -9.024 19.160 1.00 0.35 C ATOM 754 O LYS A 51 9.369 -8.164 19.110 1.00 0.33 O ATOM 755 CB LYS A 51 8.792 -10.346 21.229 1.00 0.64 C ATOM 756 CG LYS A 51 7.983 -9.126 21.656 1.00 2.04 C ATOM 757 CD LYS A 51 7.572 -9.284 23.115 1.00 1.30 C ATOM 758 CE LYS A 51 8.423 -8.348 23.977 1.00 0.91 C ATOM 759 NZ LYS A 51 8.682 -8.985 25.298 1.00 0.63 N ATOM 0 H LYS A 51 10.899 -10.188 19.311 1.00 0.36 H new ATOM 0 HA LYS A 51 8.059 -11.110 19.350 1.00 0.45 H new ATOM 0 HB2 LYS A 51 8.351 -11.254 21.639 1.00 0.64 H new ATOM 0 HB3 LYS A 51 9.808 -10.281 21.619 1.00 0.64 H new ATOM 0 HG2 LYS A 51 8.575 -8.219 21.528 1.00 2.04 H new ATOM 0 HG3 LYS A 51 7.100 -9.022 21.026 1.00 2.04 H new ATOM 0 HD2 LYS A 51 6.514 -9.049 23.236 1.00 1.30 H new ATOM 0 HD3 LYS A 51 7.708 -10.317 23.435 1.00 1.30 H new ATOM 0 HE2 LYS A 51 9.366 -8.131 23.475 1.00 0.91 H new ATOM 0 HE3 LYS A 51 7.909 -7.397 24.115 1.00 0.91 H new ATOM 0 HZ1 LYS A 51 9.260 -8.348 25.883 1.00 0.63 H new ATOM 0 HZ2 LYS A 51 7.778 -9.170 25.777 1.00 0.63 H new ATOM 0 HZ3 LYS A 51 9.189 -9.882 25.157 1.00 0.63 H new ATOM 773 N ILE A 52 7.300 -8.791 18.768 1.00 0.34 N ATOM 774 CA ILE A 52 6.947 -7.451 18.244 1.00 0.30 C ATOM 775 C ILE A 52 6.045 -6.747 19.257 1.00 0.76 C ATOM 776 O ILE A 52 5.005 -7.245 19.637 1.00 1.38 O ATOM 777 CB ILE A 52 6.212 -7.593 16.910 1.00 0.37 C ATOM 778 CG1 ILE A 52 6.087 -6.223 16.241 1.00 0.73 C ATOM 779 CG2 ILE A 52 4.817 -8.155 17.161 1.00 0.66 C ATOM 780 CD1 ILE A 52 5.241 -6.351 14.973 1.00 0.39 C ATOM 0 H ILE A 52 6.538 -9.469 18.788 1.00 0.34 H new ATOM 0 HA ILE A 52 7.854 -6.867 18.087 1.00 0.30 H new ATOM 0 HB ILE A 52 6.772 -8.265 16.260 1.00 0.37 H new ATOM 0 HG12 ILE A 52 5.628 -5.512 16.927 1.00 0.73 H new ATOM 0 HG13 ILE A 52 7.075 -5.835 15.994 1.00 0.73 H new ATOM 0 HG21 ILE A 52 4.290 -8.258 16.212 1.00 0.66 H new ATOM 0 HG22 ILE A 52 4.899 -9.132 17.638 1.00 0.66 H new ATOM 0 HG23 ILE A 52 4.264 -7.478 17.812 1.00 0.66 H new ATOM 0 HD11 ILE A 52 5.151 -5.375 14.495 1.00 0.39 H new ATOM 0 HD12 ILE A 52 5.719 -7.049 14.286 1.00 0.39 H new ATOM 0 HD13 ILE A 52 4.249 -6.720 15.233 1.00 0.39 H new ATOM 792 N GLU A 53 6.433 -5.583 19.677 1.00 0.89 N ATOM 793 CA GLU A 53 5.608 -4.814 20.643 1.00 1.21 C ATOM 794 C GLU A 53 5.443 -3.407 20.085 1.00 0.87 C ATOM 795 O GLU A 53 6.400 -2.686 19.885 1.00 1.20 O ATOM 796 CB GLU A 53 6.289 -4.766 22.019 1.00 2.04 C ATOM 797 CG GLU A 53 7.733 -4.286 21.879 1.00 0.71 C ATOM 798 CD GLU A 53 8.332 -4.073 23.271 1.00 0.65 C ATOM 799 OE1 GLU A 53 7.567 -3.869 24.200 1.00 2.04 O ATOM 800 OE2 GLU A 53 9.546 -4.116 23.385 1.00 0.39 O ATOM 0 H GLU A 53 7.297 -5.124 19.390 1.00 0.89 H new ATOM 0 HA GLU A 53 4.637 -5.291 20.775 1.00 1.21 H new ATOM 0 HB2 GLU A 53 5.739 -4.098 22.682 1.00 2.04 H new ATOM 0 HB3 GLU A 53 6.270 -5.755 22.477 1.00 2.04 H new ATOM 0 HG2 GLU A 53 8.320 -5.019 21.326 1.00 0.71 H new ATOM 0 HG3 GLU A 53 7.766 -3.357 21.310 1.00 0.71 H new ATOM 807 N ILE A 54 4.239 -3.023 19.808 1.00 0.51 N ATOM 808 CA ILE A 54 4.000 -1.679 19.230 1.00 0.30 C ATOM 809 C ILE A 54 3.710 -0.689 20.363 1.00 0.35 C ATOM 810 O ILE A 54 2.970 -0.978 21.283 1.00 0.40 O ATOM 811 CB ILE A 54 2.804 -1.769 18.279 1.00 0.20 C ATOM 812 CG1 ILE A 54 3.012 -2.928 17.289 1.00 0.29 C ATOM 813 CG2 ILE A 54 2.672 -0.464 17.501 1.00 0.52 C ATOM 814 CD1 ILE A 54 2.617 -4.253 17.946 1.00 0.60 C ATOM 0 H ILE A 54 3.401 -3.585 19.957 1.00 0.51 H new ATOM 0 HA ILE A 54 4.876 -1.334 18.680 1.00 0.30 H new ATOM 0 HB ILE A 54 1.899 -1.945 18.860 1.00 0.20 H new ATOM 0 HG12 ILE A 54 2.413 -2.764 16.393 1.00 0.29 H new ATOM 0 HG13 ILE A 54 4.055 -2.965 16.973 1.00 0.29 H new ATOM 0 HG21 ILE A 54 1.820 -0.529 16.824 1.00 0.52 H new ATOM 0 HG22 ILE A 54 2.520 0.361 18.197 1.00 0.52 H new ATOM 0 HG23 ILE A 54 3.581 -0.290 16.925 1.00 0.52 H new ATOM 0 HD11 ILE A 54 2.767 -5.069 17.239 1.00 0.60 H new ATOM 0 HD12 ILE A 54 3.234 -4.420 18.829 1.00 0.60 H new ATOM 0 HD13 ILE A 54 1.568 -4.215 18.239 1.00 0.60 H new ATOM 826 N LYS A 55 4.292 0.476 20.301 1.00 0.39 N ATOM 827 CA LYS A 55 4.063 1.492 21.363 1.00 0.48 C ATOM 828 C LYS A 55 3.435 2.717 20.721 1.00 0.48 C ATOM 829 O LYS A 55 3.880 3.186 19.699 1.00 0.47 O ATOM 830 CB LYS A 55 5.398 1.866 22.002 1.00 0.59 C ATOM 831 CG LYS A 55 5.816 0.750 22.954 1.00 0.60 C ATOM 832 CD LYS A 55 6.867 1.280 23.934 1.00 0.61 C ATOM 833 CE LYS A 55 7.754 0.127 24.409 1.00 0.53 C ATOM 834 NZ LYS A 55 8.811 0.661 25.313 1.00 0.44 N ATOM 0 H LYS A 55 4.921 0.769 19.554 1.00 0.39 H new ATOM 0 HA LYS A 55 3.402 1.096 22.134 1.00 0.48 H new ATOM 0 HB2 LYS A 55 6.157 2.011 21.233 1.00 0.59 H new ATOM 0 HB3 LYS A 55 5.307 2.809 22.542 1.00 0.59 H new ATOM 0 HG2 LYS A 55 4.948 0.380 23.500 1.00 0.60 H new ATOM 0 HG3 LYS A 55 6.220 -0.091 22.390 1.00 0.60 H new ATOM 0 HD2 LYS A 55 7.475 2.045 23.452 1.00 0.61 H new ATOM 0 HD3 LYS A 55 6.379 1.752 24.787 1.00 0.61 H new ATOM 0 HE2 LYS A 55 7.154 -0.618 24.932 1.00 0.53 H new ATOM 0 HE3 LYS A 55 8.209 -0.373 23.554 1.00 0.53 H new ATOM 0 HZ1 LYS A 55 9.416 -0.120 25.638 1.00 0.44 H new ATOM 0 HZ2 LYS A 55 9.389 1.356 24.799 1.00 0.44 H new ATOM 0 HZ3 LYS A 55 8.367 1.120 26.134 1.00 0.44 H new ATOM 848 N ALA A 56 2.390 3.232 21.284 1.00 0.52 N ATOM 849 CA ALA A 56 1.738 4.409 20.646 1.00 0.52 C ATOM 850 C ALA A 56 1.810 5.645 21.540 1.00 0.46 C ATOM 851 O ALA A 56 1.887 5.559 22.750 1.00 0.77 O ATOM 852 CB ALA A 56 0.274 4.075 20.359 1.00 0.56 C ATOM 0 H ALA A 56 1.959 2.899 22.146 1.00 0.52 H new ATOM 0 HA ALA A 56 2.268 4.633 19.720 1.00 0.52 H new ATOM 0 HB1 ALA A 56 -0.210 4.933 19.892 1.00 0.56 H new ATOM 0 HB2 ALA A 56 0.221 3.218 19.688 1.00 0.56 H new ATOM 0 HB3 ALA A 56 -0.235 3.836 21.293 1.00 0.56 H new ATOM 858 N SER A 57 1.761 6.799 20.933 1.00 0.17 N ATOM 859 CA SER A 57 1.797 8.073 21.700 1.00 0.25 C ATOM 860 C SER A 57 0.510 8.836 21.394 1.00 0.44 C ATOM 861 O SER A 57 -0.066 8.687 20.336 1.00 0.51 O ATOM 862 CB SER A 57 3.008 8.905 21.276 1.00 0.23 C ATOM 863 OG SER A 57 2.560 10.095 20.641 1.00 0.47 O ATOM 0 H SER A 57 1.697 6.913 19.921 1.00 0.17 H new ATOM 0 HA SER A 57 1.878 7.872 22.768 1.00 0.25 H new ATOM 0 HB2 SER A 57 3.618 9.150 22.146 1.00 0.23 H new ATOM 0 HB3 SER A 57 3.638 8.331 20.596 1.00 0.23 H new ATOM 0 HG SER A 57 3.210 10.812 20.794 1.00 0.47 H new ATOM 869 N LEU A 58 0.033 9.630 22.306 1.00 0.57 N ATOM 870 CA LEU A 58 -1.236 10.362 22.040 1.00 0.77 C ATOM 871 C LEU A 58 -1.088 11.836 22.408 1.00 0.64 C ATOM 872 O LEU A 58 -1.597 12.299 23.409 1.00 0.82 O ATOM 873 CB LEU A 58 -2.353 9.727 22.863 1.00 1.40 C ATOM 874 CG LEU A 58 -2.454 8.242 22.507 1.00 1.81 C ATOM 875 CD1 LEU A 58 -2.769 7.433 23.765 1.00 2.00 C ATOM 876 CD2 LEU A 58 -3.566 8.033 21.478 1.00 1.69 C ATOM 0 H LEU A 58 0.460 9.804 23.216 1.00 0.57 H new ATOM 0 HA LEU A 58 -1.476 10.298 20.979 1.00 0.77 H new ATOM 0 HB2 LEU A 58 -2.150 9.846 23.927 1.00 1.40 H new ATOM 0 HB3 LEU A 58 -3.300 10.227 22.661 1.00 1.40 H new ATOM 0 HG LEU A 58 -1.505 7.909 22.088 1.00 1.81 H new ATOM 0 HD11 LEU A 58 -2.841 6.376 23.509 1.00 2.00 H new ATOM 0 HD12 LEU A 58 -1.975 7.576 24.498 1.00 2.00 H new ATOM 0 HD13 LEU A 58 -3.716 7.769 24.186 1.00 2.00 H new ATOM 0 HD21 LEU A 58 -3.635 6.975 21.227 1.00 1.69 H new ATOM 0 HD22 LEU A 58 -4.515 8.370 21.895 1.00 1.69 H new ATOM 0 HD23 LEU A 58 -3.341 8.606 20.578 1.00 1.69 H new ATOM 888 N ASP A 59 -0.398 12.576 21.589 1.00 0.82 N ATOM 889 CA ASP A 59 -0.206 14.031 21.856 1.00 1.08 C ATOM 890 C ASP A 59 0.049 14.268 23.349 1.00 1.05 C ATOM 891 O ASP A 59 -0.214 15.337 23.862 1.00 1.33 O ATOM 892 CB ASP A 59 -1.462 14.796 21.434 1.00 1.34 C ATOM 893 CG ASP A 59 -1.065 16.026 20.614 1.00 1.49 C ATOM 894 OD1 ASP A 59 0.124 16.241 20.441 1.00 1.44 O ATOM 895 OD2 ASP A 59 -1.956 16.735 20.175 1.00 1.73 O ATOM 0 H ASP A 59 0.046 12.234 20.737 1.00 0.82 H new ATOM 0 HA ASP A 59 0.654 14.383 21.286 1.00 1.08 H new ATOM 0 HB2 ASP A 59 -2.113 14.149 20.846 1.00 1.34 H new ATOM 0 HB3 ASP A 59 -2.027 15.101 22.315 1.00 1.34 H new ATOM 900 N GLY A 60 0.563 13.293 24.053 1.00 0.83 N ATOM 901 CA GLY A 60 0.828 13.500 25.504 1.00 0.96 C ATOM 902 C GLY A 60 0.757 12.168 26.256 1.00 1.22 C ATOM 903 O GLY A 60 1.411 11.986 27.264 1.00 1.54 O ATOM 0 H GLY A 60 0.808 12.372 23.689 1.00 0.83 H new ATOM 0 HA2 GLY A 60 1.812 13.949 25.640 1.00 0.96 H new ATOM 0 HA3 GLY A 60 0.099 14.197 25.917 1.00 0.96 H new ATOM 907 N LEU A 61 -0.034 11.235 25.792 1.00 1.24 N ATOM 908 CA LEU A 61 -0.128 9.929 26.511 1.00 1.53 C ATOM 909 C LEU A 61 0.521 8.822 25.678 1.00 1.31 C ATOM 910 O LEU A 61 0.000 8.411 24.662 1.00 1.29 O ATOM 911 CB LEU A 61 -1.602 9.580 26.756 1.00 1.90 C ATOM 912 CG LEU A 61 -1.762 8.059 26.862 1.00 1.97 C ATOM 913 CD1 LEU A 61 -0.915 7.532 28.021 1.00 1.97 C ATOM 914 CD2 LEU A 61 -3.236 7.720 27.109 1.00 2.43 C ATOM 0 H LEU A 61 -0.613 11.319 24.956 1.00 1.24 H new ATOM 0 HA LEU A 61 0.393 10.013 27.465 1.00 1.53 H new ATOM 0 HB2 LEU A 61 -1.951 10.057 27.672 1.00 1.90 H new ATOM 0 HB3 LEU A 61 -2.217 9.964 25.942 1.00 1.90 H new ATOM 0 HG LEU A 61 -1.431 7.593 25.934 1.00 1.97 H new ATOM 0 HD11 LEU A 61 -1.031 6.451 28.094 1.00 1.97 H new ATOM 0 HD12 LEU A 61 0.133 7.774 27.845 1.00 1.97 H new ATOM 0 HD13 LEU A 61 -1.243 7.996 28.951 1.00 1.97 H new ATOM 0 HD21 LEU A 61 -3.353 6.639 27.185 1.00 2.43 H new ATOM 0 HD22 LEU A 61 -3.566 8.187 28.037 1.00 2.43 H new ATOM 0 HD23 LEU A 61 -3.839 8.093 26.281 1.00 2.43 H new ATOM 926 N GLU A 62 1.644 8.318 26.114 1.00 1.22 N ATOM 927 CA GLU A 62 2.307 7.222 25.356 1.00 1.02 C ATOM 928 C GLU A 62 2.259 5.947 26.189 1.00 0.77 C ATOM 929 O GLU A 62 2.765 5.892 27.294 1.00 0.89 O ATOM 930 CB GLU A 62 3.762 7.587 25.068 1.00 1.09 C ATOM 931 CG GLU A 62 4.637 6.338 25.197 1.00 0.24 C ATOM 932 CD GLU A 62 6.052 6.649 24.703 1.00 0.66 C ATOM 933 OE1 GLU A 62 6.619 7.625 25.166 1.00 1.53 O ATOM 934 OE2 GLU A 62 6.545 5.905 23.870 1.00 0.47 O ATOM 0 H GLU A 62 2.129 8.618 26.960 1.00 1.22 H new ATOM 0 HA GLU A 62 1.788 7.071 24.409 1.00 1.02 H new ATOM 0 HB2 GLU A 62 3.852 8.005 24.065 1.00 1.09 H new ATOM 0 HB3 GLU A 62 4.100 8.354 25.764 1.00 1.09 H new ATOM 0 HG2 GLU A 62 4.668 6.009 26.236 1.00 0.24 H new ATOM 0 HG3 GLU A 62 4.210 5.521 24.616 1.00 0.24 H new ATOM 941 N ILE A 63 1.639 4.929 25.674 1.00 0.84 N ATOM 942 CA ILE A 63 1.527 3.670 26.415 1.00 1.01 C ATOM 943 C ILE A 63 2.043 2.528 25.561 1.00 0.90 C ATOM 944 O ILE A 63 2.159 2.623 24.355 1.00 0.85 O ATOM 945 CB ILE A 63 0.057 3.442 26.709 1.00 1.48 C ATOM 946 CG1 ILE A 63 -0.196 2.017 27.163 1.00 3.67 C ATOM 947 CG2 ILE A 63 -0.722 3.703 25.438 1.00 0.85 C ATOM 948 CD1 ILE A 63 0.457 1.829 28.523 1.00 5.42 C ATOM 0 H ILE A 63 1.200 4.926 24.753 1.00 0.84 H new ATOM 0 HA ILE A 63 2.109 3.716 27.336 1.00 1.01 H new ATOM 0 HB ILE A 63 -0.256 4.113 27.509 1.00 1.48 H new ATOM 0 HG12 ILE A 63 -1.267 1.822 27.225 1.00 3.67 H new ATOM 0 HG13 ILE A 63 0.215 1.310 26.443 1.00 3.67 H new ATOM 0 HG21 ILE A 63 -1.784 3.545 25.624 1.00 0.85 H new ATOM 0 HG22 ILE A 63 -0.559 4.731 25.116 1.00 0.85 H new ATOM 0 HG23 ILE A 63 -0.385 3.020 24.658 1.00 0.85 H new ATOM 0 HD11 ILE A 63 0.288 0.810 28.870 1.00 5.42 H new ATOM 0 HD12 ILE A 63 1.529 2.011 28.440 1.00 5.42 H new ATOM 0 HD13 ILE A 63 0.023 2.531 29.235 1.00 5.42 H new ATOM 960 N ASP A 64 2.291 1.436 26.185 1.00 1.21 N ATOM 961 CA ASP A 64 2.737 0.234 25.447 1.00 1.13 C ATOM 962 C ASP A 64 1.469 -0.423 24.930 1.00 1.03 C ATOM 963 O ASP A 64 0.663 -0.920 25.689 1.00 1.59 O ATOM 964 CB ASP A 64 3.481 -0.723 26.387 1.00 1.23 C ATOM 965 CG ASP A 64 4.183 0.078 27.486 1.00 0.98 C ATOM 966 OD1 ASP A 64 4.556 1.209 27.222 1.00 0.95 O ATOM 967 OD2 ASP A 64 4.336 -0.454 28.574 1.00 1.17 O ATOM 0 H ASP A 64 2.205 1.314 27.194 1.00 1.21 H new ATOM 0 HA ASP A 64 3.421 0.490 24.638 1.00 1.13 H new ATOM 0 HB2 ASP A 64 2.781 -1.431 26.830 1.00 1.23 H new ATOM 0 HB3 ASP A 64 4.211 -1.306 25.825 1.00 1.23 H new ATOM 972 N VAL A 65 1.257 -0.385 23.655 1.00 0.50 N ATOM 973 CA VAL A 65 0.006 -0.955 23.102 1.00 0.45 C ATOM 974 C VAL A 65 -0.030 -2.475 23.293 1.00 0.27 C ATOM 975 O VAL A 65 0.756 -3.187 22.707 1.00 0.28 O ATOM 976 CB VAL A 65 -0.067 -0.611 21.625 1.00 0.45 C ATOM 977 CG1 VAL A 65 -1.505 -0.772 21.136 1.00 0.51 C ATOM 978 CG2 VAL A 65 0.380 0.840 21.444 1.00 0.72 C ATOM 0 H VAL A 65 1.895 0.016 22.968 1.00 0.50 H new ATOM 0 HA VAL A 65 -0.850 -0.533 23.628 1.00 0.45 H new ATOM 0 HB VAL A 65 0.579 -1.274 21.050 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -1.559 -0.525 20.076 1.00 0.51 H new ATOM 0 HG12 VAL A 65 -1.827 -1.803 21.285 1.00 0.51 H new ATOM 0 HG13 VAL A 65 -2.157 -0.103 21.698 1.00 0.51 H new ATOM 0 HG21 VAL A 65 0.334 1.106 20.388 1.00 0.72 H new ATOM 0 HG22 VAL A 65 -0.278 1.497 22.012 1.00 0.72 H new ATOM 0 HG23 VAL A 65 1.403 0.953 21.803 1.00 0.72 H new ATOM 988 N PRO A 66 -0.954 -2.917 24.112 1.00 0.34 N ATOM 989 CA PRO A 66 -1.144 -4.345 24.415 1.00 0.42 C ATOM 990 C PRO A 66 -1.969 -5.002 23.310 1.00 0.46 C ATOM 991 O PRO A 66 -2.165 -4.439 22.252 1.00 0.49 O ATOM 992 CB PRO A 66 -1.934 -4.329 25.727 1.00 0.67 C ATOM 993 CG PRO A 66 -2.645 -2.956 25.789 1.00 0.72 C ATOM 994 CD PRO A 66 -1.900 -2.029 24.812 1.00 0.53 C ATOM 0 HA PRO A 66 -0.209 -4.900 24.488 1.00 0.42 H new ATOM 0 HB2 PRO A 66 -2.658 -5.143 25.755 1.00 0.67 H new ATOM 0 HB3 PRO A 66 -1.271 -4.462 26.582 1.00 0.67 H new ATOM 0 HG2 PRO A 66 -3.694 -3.050 25.509 1.00 0.72 H new ATOM 0 HG3 PRO A 66 -2.620 -2.552 26.801 1.00 0.72 H new ATOM 0 HD2 PRO A 66 -2.588 -1.552 24.114 1.00 0.53 H new ATOM 0 HD3 PRO A 66 -1.379 -1.231 25.341 1.00 0.53 H new ATOM 1002 N GLY A 67 -2.469 -6.179 23.554 1.00 0.49 N ATOM 1003 CA GLY A 67 -3.296 -6.862 22.523 1.00 0.58 C ATOM 1004 C GLY A 67 -2.488 -7.027 21.238 1.00 0.65 C ATOM 1005 O GLY A 67 -2.891 -6.586 20.179 1.00 1.38 O ATOM 0 H GLY A 67 -2.341 -6.698 24.423 1.00 0.49 H new ATOM 0 HA2 GLY A 67 -3.618 -7.837 22.889 1.00 0.58 H new ATOM 0 HA3 GLY A 67 -4.198 -6.283 22.325 1.00 0.58 H new ATOM 1009 N ILE A 68 -1.357 -7.665 21.316 1.00 0.32 N ATOM 1010 CA ILE A 68 -0.537 -7.866 20.095 1.00 0.25 C ATOM 1011 C ILE A 68 0.235 -9.176 20.225 1.00 0.15 C ATOM 1012 O ILE A 68 -0.160 -10.082 20.932 1.00 0.36 O ATOM 1013 CB ILE A 68 0.471 -6.729 19.934 1.00 0.26 C ATOM 1014 CG1 ILE A 68 1.522 -6.867 21.037 1.00 0.28 C ATOM 1015 CG2 ILE A 68 -0.236 -5.375 20.032 1.00 0.24 C ATOM 1016 CD1 ILE A 68 2.109 -5.503 21.377 1.00 0.84 C ATOM 0 H ILE A 68 -0.965 -8.056 22.173 1.00 0.32 H new ATOM 0 HA ILE A 68 -1.199 -7.889 19.229 1.00 0.25 H new ATOM 0 HB ILE A 68 0.948 -6.784 18.956 1.00 0.26 H new ATOM 0 HG12 ILE A 68 1.071 -7.309 21.926 1.00 0.28 H new ATOM 0 HG13 ILE A 68 2.314 -7.541 20.712 1.00 0.28 H new ATOM 0 HG21 ILE A 68 0.494 -4.574 19.916 1.00 0.24 H new ATOM 0 HG22 ILE A 68 -0.987 -5.299 19.245 1.00 0.24 H new ATOM 0 HG23 ILE A 68 -0.720 -5.287 21.005 1.00 0.24 H new ATOM 0 HD11 ILE A 68 2.856 -5.614 22.163 1.00 0.84 H new ATOM 0 HD12 ILE A 68 2.577 -5.077 20.490 1.00 0.84 H new ATOM 0 HD13 ILE A 68 1.315 -4.841 21.722 1.00 0.84 H new ATOM 1028 N ASP A 69 1.336 -9.277 19.534 1.00 0.18 N ATOM 1029 CA ASP A 69 2.142 -10.520 19.597 1.00 0.31 C ATOM 1030 C ASP A 69 3.488 -10.224 20.253 1.00 0.38 C ATOM 1031 O ASP A 69 4.326 -9.547 19.692 1.00 0.40 O ATOM 1032 CB ASP A 69 2.375 -11.043 18.175 1.00 0.31 C ATOM 1033 CG ASP A 69 3.244 -12.301 18.227 1.00 0.45 C ATOM 1034 OD1 ASP A 69 3.309 -12.908 19.283 1.00 0.73 O ATOM 1035 OD2 ASP A 69 3.829 -12.635 17.210 1.00 0.26 O ATOM 0 H ASP A 69 1.711 -8.548 18.927 1.00 0.18 H new ATOM 0 HA ASP A 69 1.610 -11.270 20.183 1.00 0.31 H new ATOM 0 HB2 ASP A 69 1.421 -11.267 17.698 1.00 0.31 H new ATOM 0 HB3 ASP A 69 2.861 -10.278 17.570 1.00 0.31 H new ATOM 1040 N THR A 70 3.714 -10.747 21.423 1.00 0.44 N ATOM 1041 CA THR A 70 5.020 -10.518 22.098 1.00 0.52 C ATOM 1042 C THR A 70 5.961 -11.644 21.679 1.00 0.54 C ATOM 1043 O THR A 70 6.685 -12.202 22.479 1.00 0.70 O ATOM 1044 CB THR A 70 4.824 -10.532 23.616 1.00 0.60 C ATOM 1045 OG1 THR A 70 4.067 -11.678 23.983 1.00 0.71 O ATOM 1046 CG2 THR A 70 4.080 -9.263 24.047 1.00 0.37 C ATOM 0 H THR A 70 3.051 -11.323 21.942 1.00 0.44 H new ATOM 0 HA THR A 70 5.438 -9.552 21.815 1.00 0.52 H new ATOM 0 HB THR A 70 5.795 -10.566 24.110 1.00 0.60 H new ATOM 0 HG1 THR A 70 3.942 -11.690 24.955 1.00 0.71 H new ATOM 0 HG21 THR A 70 3.940 -9.273 25.128 1.00 0.37 H new ATOM 0 HG22 THR A 70 4.662 -8.386 23.764 1.00 0.37 H new ATOM 0 HG23 THR A 70 3.108 -9.227 23.556 1.00 0.37 H new ATOM 1054 N ASN A 71 5.931 -11.979 20.419 1.00 0.38 N ATOM 1055 CA ASN A 71 6.784 -13.071 19.892 1.00 0.37 C ATOM 1056 C ASN A 71 6.441 -13.248 18.401 1.00 0.19 C ATOM 1057 O ASN A 71 5.553 -13.995 18.042 1.00 0.35 O ATOM 1058 CB ASN A 71 6.480 -14.345 20.677 1.00 0.56 C ATOM 1059 CG ASN A 71 7.485 -15.435 20.307 1.00 0.78 C ATOM 1060 OD1 ASN A 71 8.547 -15.521 20.892 1.00 2.03 O ATOM 1061 ND2 ASN A 71 7.193 -16.278 19.355 1.00 1.23 N ATOM 0 H ASN A 71 5.338 -11.530 19.721 1.00 0.38 H new ATOM 0 HA ASN A 71 7.845 -12.845 19.997 1.00 0.37 H new ATOM 0 HB2 ASN A 71 6.526 -14.143 21.747 1.00 0.56 H new ATOM 0 HB3 ASN A 71 5.467 -14.683 20.460 1.00 0.56 H new ATOM 0 HD21 ASN A 71 7.856 -17.010 19.101 1.00 1.23 H new ATOM 0 HD22 ASN A 71 6.302 -16.205 18.865 1.00 1.23 H new ATOM 1068 N ALA A 72 7.105 -12.515 17.538 1.00 0.06 N ATOM 1069 CA ALA A 72 6.795 -12.568 16.079 1.00 0.24 C ATOM 1070 C ALA A 72 7.350 -13.827 15.404 1.00 0.19 C ATOM 1071 O ALA A 72 7.290 -13.945 14.202 1.00 0.14 O ATOM 1072 CB ALA A 72 7.409 -11.339 15.406 1.00 0.45 C ATOM 0 H ALA A 72 7.858 -11.875 17.790 1.00 0.06 H new ATOM 0 HA ALA A 72 5.711 -12.587 15.970 1.00 0.24 H new ATOM 0 HB1 ALA A 72 7.192 -11.362 14.338 1.00 0.45 H new ATOM 0 HB2 ALA A 72 6.985 -10.435 15.843 1.00 0.45 H new ATOM 0 HB3 ALA A 72 8.489 -11.343 15.557 1.00 0.45 H new ATOM 1078 N CYS A 73 7.882 -14.768 16.129 1.00 0.23 N ATOM 1079 CA CYS A 73 8.408 -15.989 15.447 1.00 0.18 C ATOM 1080 C CYS A 73 7.235 -16.747 14.815 1.00 0.17 C ATOM 1081 O CYS A 73 7.417 -17.634 14.004 1.00 0.14 O ATOM 1082 CB CYS A 73 9.133 -16.894 16.455 1.00 0.20 C ATOM 1083 SG CYS A 73 9.230 -18.579 15.790 1.00 0.15 S ATOM 0 H CYS A 73 7.976 -14.751 17.144 1.00 0.23 H new ATOM 0 HA CYS A 73 9.119 -15.695 14.675 1.00 0.18 H new ATOM 0 HB2 CYS A 73 10.134 -16.510 16.651 1.00 0.20 H new ATOM 0 HB3 CYS A 73 8.601 -16.897 17.406 1.00 0.20 H new ATOM 1088 N HIS A 74 6.027 -16.397 15.172 1.00 0.21 N ATOM 1089 CA HIS A 74 4.844 -17.096 14.586 1.00 0.23 C ATOM 1090 C HIS A 74 4.570 -16.561 13.177 1.00 0.16 C ATOM 1091 O HIS A 74 3.937 -17.211 12.369 1.00 0.17 O ATOM 1092 CB HIS A 74 3.620 -16.861 15.473 1.00 0.32 C ATOM 1093 CG HIS A 74 3.495 -17.994 16.454 1.00 0.26 C ATOM 1094 ND1 HIS A 74 2.267 -18.503 16.846 1.00 0.49 N ATOM 1095 CD2 HIS A 74 4.438 -18.729 17.125 1.00 0.29 C ATOM 1096 CE1 HIS A 74 2.502 -19.500 17.717 1.00 0.54 C ATOM 1097 NE2 HIS A 74 3.809 -19.680 17.923 1.00 0.49 N ATOM 0 H HIS A 74 5.808 -15.660 15.842 1.00 0.21 H new ATOM 0 HA HIS A 74 5.050 -18.165 14.528 1.00 0.23 H new ATOM 0 HB2 HIS A 74 3.717 -15.914 16.004 1.00 0.32 H new ATOM 0 HB3 HIS A 74 2.720 -16.793 14.861 1.00 0.32 H new ATOM 0 HD2 HIS A 74 5.506 -18.591 17.046 1.00 0.29 H new ATOM 0 HE1 HIS A 74 1.728 -20.084 18.192 1.00 0.54 H new ATOM 0 HE2 HIS A 74 4.251 -20.367 18.534 1.00 0.49 H new ATOM 1105 N PHE A 75 5.051 -15.387 12.873 1.00 0.13 N ATOM 1106 CA PHE A 75 4.828 -14.816 11.512 1.00 0.13 C ATOM 1107 C PHE A 75 6.152 -14.836 10.750 1.00 0.14 C ATOM 1108 O PHE A 75 6.190 -14.807 9.535 1.00 0.22 O ATOM 1109 CB PHE A 75 4.321 -13.378 11.635 1.00 0.15 C ATOM 1110 CG PHE A 75 3.085 -13.357 12.502 1.00 0.16 C ATOM 1111 CD1 PHE A 75 1.860 -13.781 11.977 1.00 0.18 C ATOM 1112 CD2 PHE A 75 3.163 -12.911 13.826 1.00 0.15 C ATOM 1113 CE1 PHE A 75 0.711 -13.761 12.776 1.00 0.20 C ATOM 1114 CE2 PHE A 75 2.013 -12.889 14.626 1.00 0.17 C ATOM 1115 CZ PHE A 75 0.787 -13.314 14.101 1.00 0.19 C ATOM 0 H PHE A 75 5.589 -14.797 13.508 1.00 0.13 H new ATOM 0 HA PHE A 75 4.085 -15.407 10.976 1.00 0.13 H new ATOM 0 HB2 PHE A 75 5.094 -12.744 12.068 1.00 0.15 H new ATOM 0 HB3 PHE A 75 4.094 -12.975 10.648 1.00 0.15 H new ATOM 0 HD1 PHE A 75 1.801 -14.124 10.955 1.00 0.18 H new ATOM 0 HD2 PHE A 75 4.109 -12.584 14.231 1.00 0.15 H new ATOM 0 HE1 PHE A 75 -0.234 -14.090 12.371 1.00 0.20 H new ATOM 0 HE2 PHE A 75 2.072 -12.544 15.648 1.00 0.17 H new ATOM 0 HZ PHE A 75 -0.100 -13.297 14.717 1.00 0.19 H new ATOM 1125 N VAL A 76 7.238 -14.908 11.465 1.00 0.16 N ATOM 1126 CA VAL A 76 8.574 -14.957 10.817 1.00 0.17 C ATOM 1127 C VAL A 76 9.184 -16.330 11.112 1.00 0.20 C ATOM 1128 O VAL A 76 8.701 -17.060 11.953 1.00 0.24 O ATOM 1129 CB VAL A 76 9.457 -13.833 11.367 1.00 0.17 C ATOM 1130 CG1 VAL A 76 8.623 -12.573 11.533 1.00 0.13 C ATOM 1131 CG2 VAL A 76 10.046 -14.244 12.719 1.00 0.24 C ATOM 0 H VAL A 76 7.256 -14.935 12.484 1.00 0.16 H new ATOM 0 HA VAL A 76 8.491 -14.815 9.739 1.00 0.17 H new ATOM 0 HB VAL A 76 10.273 -13.642 10.670 1.00 0.17 H new ATOM 0 HG11 VAL A 76 9.249 -11.771 11.924 1.00 0.13 H new ATOM 0 HG12 VAL A 76 8.216 -12.276 10.566 1.00 0.13 H new ATOM 0 HG13 VAL A 76 7.805 -12.767 12.227 1.00 0.13 H new ATOM 0 HG21 VAL A 76 10.673 -13.439 13.103 1.00 0.24 H new ATOM 0 HG22 VAL A 76 9.238 -14.442 13.423 1.00 0.24 H new ATOM 0 HG23 VAL A 76 10.648 -15.144 12.595 1.00 0.24 H new ATOM 1141 N LYS A 77 10.216 -16.703 10.415 1.00 0.17 N ATOM 1142 CA LYS A 77 10.813 -18.047 10.657 1.00 0.19 C ATOM 1143 C LYS A 77 11.946 -17.973 11.686 1.00 0.17 C ATOM 1144 O LYS A 77 13.091 -17.759 11.347 1.00 0.20 O ATOM 1145 CB LYS A 77 11.362 -18.641 9.348 1.00 0.21 C ATOM 1146 CG LYS A 77 11.602 -17.546 8.301 1.00 0.22 C ATOM 1147 CD LYS A 77 10.279 -17.189 7.619 1.00 0.25 C ATOM 1148 CE LYS A 77 9.990 -18.195 6.503 1.00 0.44 C ATOM 1149 NZ LYS A 77 10.525 -17.676 5.212 1.00 1.72 N ATOM 0 H LYS A 77 10.671 -16.143 9.694 1.00 0.17 H new ATOM 0 HA LYS A 77 10.022 -18.688 11.045 1.00 0.19 H new ATOM 0 HB2 LYS A 77 12.295 -19.168 9.548 1.00 0.21 H new ATOM 0 HB3 LYS A 77 10.659 -19.376 8.956 1.00 0.21 H new ATOM 0 HG2 LYS A 77 12.028 -16.662 8.776 1.00 0.22 H new ATOM 0 HG3 LYS A 77 12.324 -17.889 7.560 1.00 0.22 H new ATOM 0 HD2 LYS A 77 9.469 -17.196 8.348 1.00 0.25 H new ATOM 0 HD3 LYS A 77 10.330 -16.180 7.209 1.00 0.25 H new ATOM 0 HE2 LYS A 77 10.448 -19.156 6.738 1.00 0.44 H new ATOM 0 HE3 LYS A 77 8.916 -18.365 6.422 1.00 0.44 H new ATOM 0 HZ1 LYS A 77 10.328 -18.361 4.454 1.00 1.72 H new ATOM 0 HZ2 LYS A 77 10.069 -16.769 4.987 1.00 1.72 H new ATOM 0 HZ3 LYS A 77 11.552 -17.536 5.293 1.00 1.72 H new ATOM 1163 N CYS A 78 11.640 -18.190 12.942 1.00 0.14 N ATOM 1164 CA CYS A 78 12.715 -18.176 13.977 1.00 0.12 C ATOM 1165 C CYS A 78 13.310 -19.590 14.037 1.00 0.13 C ATOM 1166 O CYS A 78 12.642 -20.540 13.682 1.00 0.13 O ATOM 1167 CB CYS A 78 12.131 -17.779 15.341 1.00 0.12 C ATOM 1168 SG CYS A 78 11.160 -19.145 16.027 1.00 0.12 S ATOM 0 H CYS A 78 10.700 -18.375 13.291 1.00 0.14 H new ATOM 0 HA CYS A 78 13.487 -17.449 13.724 1.00 0.12 H new ATOM 0 HB2 CYS A 78 12.936 -17.515 16.027 1.00 0.12 H new ATOM 0 HB3 CYS A 78 11.503 -16.895 15.232 1.00 0.12 H new ATOM 1173 N PRO A 79 14.555 -19.700 14.434 1.00 0.15 N ATOM 1174 CA PRO A 79 15.396 -18.563 14.872 1.00 0.16 C ATOM 1175 C PRO A 79 15.767 -17.628 13.727 1.00 0.16 C ATOM 1176 O PRO A 79 16.237 -18.049 12.688 1.00 0.15 O ATOM 1177 CB PRO A 79 16.658 -19.238 15.425 1.00 0.22 C ATOM 1178 CG PRO A 79 16.704 -20.649 14.815 1.00 0.25 C ATOM 1179 CD PRO A 79 15.256 -21.002 14.439 1.00 0.18 C ATOM 0 HA PRO A 79 14.872 -17.937 15.595 1.00 0.16 H new ATOM 0 HB2 PRO A 79 17.550 -18.671 15.158 1.00 0.22 H new ATOM 0 HB3 PRO A 79 16.626 -19.287 16.513 1.00 0.22 H new ATOM 0 HG2 PRO A 79 17.351 -20.673 13.938 1.00 0.25 H new ATOM 0 HG3 PRO A 79 17.107 -21.368 15.528 1.00 0.25 H new ATOM 0 HD2 PRO A 79 15.204 -21.486 13.464 1.00 0.18 H new ATOM 0 HD3 PRO A 79 14.814 -21.690 15.160 1.00 0.18 H new ATOM 1187 N LEU A 80 15.601 -16.349 13.934 1.00 0.18 N ATOM 1188 CA LEU A 80 15.991 -15.382 12.879 1.00 0.19 C ATOM 1189 C LEU A 80 17.503 -15.262 12.932 1.00 0.17 C ATOM 1190 O LEU A 80 18.067 -14.763 13.883 1.00 0.24 O ATOM 1191 CB LEU A 80 15.364 -14.017 13.129 1.00 0.24 C ATOM 1192 CG LEU A 80 13.925 -14.184 13.622 1.00 0.26 C ATOM 1193 CD1 LEU A 80 13.371 -12.823 14.032 1.00 0.36 C ATOM 1194 CD2 LEU A 80 13.071 -14.771 12.497 1.00 0.99 C ATOM 0 H LEU A 80 15.214 -15.938 14.784 1.00 0.18 H new ATOM 0 HA LEU A 80 15.647 -15.728 11.905 1.00 0.19 H new ATOM 0 HB2 LEU A 80 15.949 -13.469 13.868 1.00 0.24 H new ATOM 0 HB3 LEU A 80 15.377 -13.428 12.212 1.00 0.24 H new ATOM 0 HG LEU A 80 13.904 -14.856 14.480 1.00 0.26 H new ATOM 0 HD11 LEU A 80 12.346 -12.938 14.384 1.00 0.36 H new ATOM 0 HD12 LEU A 80 13.984 -12.406 14.831 1.00 0.36 H new ATOM 0 HD13 LEU A 80 13.387 -12.150 13.174 1.00 0.36 H new ATOM 0 HD21 LEU A 80 12.045 -14.892 12.844 1.00 0.99 H new ATOM 0 HD22 LEU A 80 13.087 -14.099 11.639 1.00 0.99 H new ATOM 0 HD23 LEU A 80 13.472 -15.742 12.205 1.00 0.99 H new ATOM 1206 N VAL A 81 18.160 -15.748 11.936 1.00 0.17 N ATOM 1207 CA VAL A 81 19.646 -15.708 11.934 1.00 0.14 C ATOM 1208 C VAL A 81 20.150 -14.316 11.560 1.00 0.18 C ATOM 1209 O VAL A 81 19.573 -13.626 10.744 1.00 0.35 O ATOM 1210 CB VAL A 81 20.177 -16.737 10.940 1.00 0.13 C ATOM 1211 CG1 VAL A 81 21.699 -16.613 10.842 1.00 0.09 C ATOM 1212 CG2 VAL A 81 19.806 -18.142 11.426 1.00 0.27 C ATOM 0 H VAL A 81 17.736 -16.176 11.113 1.00 0.17 H new ATOM 0 HA VAL A 81 20.006 -15.943 12.936 1.00 0.14 H new ATOM 0 HB VAL A 81 19.738 -16.562 9.958 1.00 0.13 H new ATOM 0 HG11 VAL A 81 22.079 -17.348 10.132 1.00 0.09 H new ATOM 0 HG12 VAL A 81 21.961 -15.611 10.502 1.00 0.09 H new ATOM 0 HG13 VAL A 81 22.142 -16.792 11.822 1.00 0.09 H new ATOM 0 HG21 VAL A 81 20.182 -18.882 10.720 1.00 0.27 H new ATOM 0 HG22 VAL A 81 20.249 -18.317 12.406 1.00 0.27 H new ATOM 0 HG23 VAL A 81 18.722 -18.228 11.498 1.00 0.27 H new ATOM 1222 N LYS A 82 21.233 -13.909 12.162 1.00 0.15 N ATOM 1223 CA LYS A 82 21.808 -12.578 11.876 1.00 0.20 C ATOM 1224 C LYS A 82 22.332 -12.538 10.453 1.00 0.18 C ATOM 1225 O LYS A 82 23.310 -13.173 10.113 1.00 0.25 O ATOM 1226 CB LYS A 82 22.947 -12.329 12.857 1.00 0.28 C ATOM 1227 CG LYS A 82 23.608 -11.003 12.524 1.00 0.25 C ATOM 1228 CD LYS A 82 24.711 -10.703 13.541 1.00 0.67 C ATOM 1229 CE LYS A 82 25.305 -12.015 14.060 1.00 0.30 C ATOM 1230 NZ LYS A 82 26.632 -11.749 14.686 1.00 0.58 N ATOM 0 H LYS A 82 21.748 -14.457 12.851 1.00 0.15 H new ATOM 0 HA LYS A 82 21.045 -11.807 11.985 1.00 0.20 H new ATOM 0 HB2 LYS A 82 22.567 -12.314 13.879 1.00 0.28 H new ATOM 0 HB3 LYS A 82 23.676 -13.137 12.800 1.00 0.28 H new ATOM 0 HG2 LYS A 82 24.028 -11.038 11.519 1.00 0.25 H new ATOM 0 HG3 LYS A 82 22.866 -10.204 12.532 1.00 0.25 H new ATOM 0 HD2 LYS A 82 25.490 -10.098 13.079 1.00 0.67 H new ATOM 0 HD3 LYS A 82 24.306 -10.123 14.370 1.00 0.67 H new ATOM 0 HE2 LYS A 82 24.632 -12.468 14.788 1.00 0.30 H new ATOM 0 HE3 LYS A 82 25.414 -12.726 13.241 1.00 0.30 H new ATOM 0 HZ1 LYS A 82 27.035 -12.641 15.038 1.00 0.58 H new ATOM 0 HZ2 LYS A 82 27.273 -11.335 13.979 1.00 0.58 H new ATOM 0 HZ3 LYS A 82 26.515 -11.085 15.478 1.00 0.58 H new ATOM 1244 N GLY A 83 21.683 -11.785 9.619 1.00 0.23 N ATOM 1245 CA GLY A 83 22.131 -11.682 8.214 1.00 0.21 C ATOM 1246 C GLY A 83 20.981 -12.060 7.284 1.00 0.19 C ATOM 1247 O GLY A 83 21.030 -11.825 6.094 1.00 0.19 O ATOM 0 H GLY A 83 20.857 -11.234 9.853 1.00 0.23 H new ATOM 0 HA2 GLY A 83 22.466 -10.667 8.001 1.00 0.21 H new ATOM 0 HA3 GLY A 83 22.982 -12.341 8.043 1.00 0.21 H new ATOM 1251 N GLN A 84 19.935 -12.626 7.819 1.00 0.18 N ATOM 1252 CA GLN A 84 18.776 -12.995 6.965 1.00 0.17 C ATOM 1253 C GLN A 84 17.686 -11.964 7.190 1.00 0.19 C ATOM 1254 O GLN A 84 17.579 -11.393 8.251 1.00 0.28 O ATOM 1255 CB GLN A 84 18.250 -14.384 7.346 1.00 0.14 C ATOM 1256 CG GLN A 84 16.787 -14.546 6.898 1.00 0.13 C ATOM 1257 CD GLN A 84 16.730 -14.664 5.375 1.00 0.13 C ATOM 1258 OE1 GLN A 84 17.701 -14.396 4.696 1.00 0.14 O ATOM 1259 NE2 GLN A 84 15.625 -15.060 4.808 1.00 0.24 N ATOM 0 H GLN A 84 19.834 -12.848 8.809 1.00 0.18 H new ATOM 0 HA GLN A 84 19.079 -13.019 5.918 1.00 0.17 H new ATOM 0 HB2 GLN A 84 18.867 -15.153 6.881 1.00 0.14 H new ATOM 0 HB3 GLN A 84 18.324 -14.525 8.424 1.00 0.14 H new ATOM 0 HG2 GLN A 84 16.351 -15.432 7.359 1.00 0.13 H new ATOM 0 HG3 GLN A 84 16.197 -13.691 7.229 1.00 0.13 H new ATOM 0 HE21 GLN A 84 14.811 -15.285 5.380 1.00 0.24 H new ATOM 0 HE22 GLN A 84 15.575 -15.145 3.793 1.00 0.24 H new ATOM 1268 N GLN A 85 16.864 -11.736 6.218 1.00 0.15 N ATOM 1269 CA GLN A 85 15.774 -10.754 6.404 1.00 0.16 C ATOM 1270 C GLN A 85 14.476 -11.527 6.608 1.00 0.12 C ATOM 1271 O GLN A 85 14.281 -12.585 6.044 1.00 0.09 O ATOM 1272 CB GLN A 85 15.668 -9.854 5.176 1.00 0.17 C ATOM 1273 CG GLN A 85 14.200 -9.687 4.814 1.00 0.20 C ATOM 1274 CD GLN A 85 14.056 -8.743 3.616 1.00 0.21 C ATOM 1275 OE1 GLN A 85 13.024 -8.713 2.977 1.00 1.19 O ATOM 1276 NE2 GLN A 85 15.052 -7.967 3.278 1.00 1.63 N ATOM 0 H GLN A 85 16.898 -12.186 5.303 1.00 0.15 H new ATOM 0 HA GLN A 85 15.974 -10.122 7.270 1.00 0.16 H new ATOM 0 HB2 GLN A 85 16.119 -8.883 5.380 1.00 0.17 H new ATOM 0 HB3 GLN A 85 16.215 -10.290 4.340 1.00 0.17 H new ATOM 0 HG2 GLN A 85 13.764 -10.657 4.577 1.00 0.20 H new ATOM 0 HG3 GLN A 85 13.650 -9.290 5.667 1.00 0.20 H new ATOM 0 HE21 GLN A 85 15.920 -7.990 3.813 1.00 1.63 H new ATOM 0 HE22 GLN A 85 14.961 -7.339 2.480 1.00 1.63 H new ATOM 1285 N TYR A 86 13.595 -11.031 7.423 1.00 0.19 N ATOM 1286 CA TYR A 86 12.334 -11.772 7.666 1.00 0.18 C ATOM 1287 C TYR A 86 11.132 -10.872 7.391 1.00 0.19 C ATOM 1288 O TYR A 86 11.150 -9.688 7.661 1.00 0.28 O ATOM 1289 CB TYR A 86 12.323 -12.249 9.116 1.00 0.19 C ATOM 1290 CG TYR A 86 13.364 -13.318 9.280 1.00 0.19 C ATOM 1291 CD1 TYR A 86 14.719 -12.979 9.292 1.00 0.23 C ATOM 1292 CD2 TYR A 86 12.972 -14.648 9.405 1.00 0.18 C ATOM 1293 CE1 TYR A 86 15.686 -13.978 9.434 1.00 0.26 C ATOM 1294 CE2 TYR A 86 13.937 -15.649 9.542 1.00 0.21 C ATOM 1295 CZ TYR A 86 15.295 -15.315 9.557 1.00 0.25 C ATOM 1296 OH TYR A 86 16.246 -16.305 9.688 1.00 0.30 O ATOM 0 H TYR A 86 13.692 -10.150 7.928 1.00 0.19 H new ATOM 0 HA TYR A 86 12.272 -12.630 6.997 1.00 0.18 H new ATOM 0 HB2 TYR A 86 12.527 -11.416 9.789 1.00 0.19 H new ATOM 0 HB3 TYR A 86 11.339 -12.637 9.379 1.00 0.19 H new ATOM 0 HD1 TYR A 86 15.019 -11.946 9.192 1.00 0.23 H new ATOM 0 HD2 TYR A 86 11.923 -14.906 9.396 1.00 0.18 H new ATOM 0 HE1 TYR A 86 16.734 -13.718 9.449 1.00 0.26 H new ATOM 0 HE2 TYR A 86 13.634 -16.681 9.636 1.00 0.21 H new ATOM 0 HH TYR A 86 15.803 -17.176 9.763 1.00 0.30 H new ATOM 1306 N ASP A 87 10.086 -11.431 6.852 1.00 0.17 N ATOM 1307 CA ASP A 87 8.877 -10.619 6.554 1.00 0.21 C ATOM 1308 C ASP A 87 7.767 -11.014 7.523 1.00 0.19 C ATOM 1309 O ASP A 87 7.297 -12.135 7.518 1.00 0.19 O ATOM 1310 CB ASP A 87 8.414 -10.890 5.120 1.00 0.30 C ATOM 1311 CG ASP A 87 9.600 -11.361 4.275 1.00 1.71 C ATOM 1312 OD1 ASP A 87 10.632 -10.710 4.320 1.00 2.51 O ATOM 1313 OD2 ASP A 87 9.456 -12.364 3.596 1.00 2.82 O ATOM 0 H ASP A 87 10.017 -12.418 6.605 1.00 0.17 H new ATOM 0 HA ASP A 87 9.111 -9.560 6.663 1.00 0.21 H new ATOM 0 HB2 ASP A 87 7.630 -11.647 5.118 1.00 0.30 H new ATOM 0 HB3 ASP A 87 7.985 -9.985 4.689 1.00 0.30 H new ATOM 1318 N ILE A 88 7.345 -10.112 8.360 1.00 0.18 N ATOM 1319 CA ILE A 88 6.275 -10.459 9.323 1.00 0.18 C ATOM 1320 C ILE A 88 4.977 -9.731 8.998 1.00 0.16 C ATOM 1321 O ILE A 88 4.888 -8.521 9.067 1.00 0.12 O ATOM 1322 CB ILE A 88 6.683 -10.062 10.731 1.00 0.19 C ATOM 1323 CG1 ILE A 88 5.452 -10.163 11.632 1.00 0.17 C ATOM 1324 CG2 ILE A 88 7.198 -8.623 10.735 1.00 0.19 C ATOM 1325 CD1 ILE A 88 5.891 -10.352 13.077 1.00 0.22 C ATOM 0 H ILE A 88 7.694 -9.155 8.417 1.00 0.18 H new ATOM 0 HA ILE A 88 6.121 -11.536 9.253 1.00 0.18 H new ATOM 0 HB ILE A 88 7.474 -10.721 11.091 1.00 0.19 H new ATOM 0 HG12 ILE A 88 4.847 -9.261 11.540 1.00 0.17 H new ATOM 0 HG13 ILE A 88 4.827 -10.999 11.319 1.00 0.17 H new ATOM 0 HG21 ILE A 88 7.489 -8.344 11.748 1.00 0.19 H new ATOM 0 HG22 ILE A 88 8.061 -8.544 10.074 1.00 0.19 H new ATOM 0 HG23 ILE A 88 6.411 -7.954 10.386 1.00 0.19 H new ATOM 0 HD11 ILE A 88 5.012 -10.424 13.718 1.00 0.22 H new ATOM 0 HD12 ILE A 88 6.478 -11.266 13.162 1.00 0.22 H new ATOM 0 HD13 ILE A 88 6.498 -9.501 13.387 1.00 0.22 H new ATOM 1337 N LYS A 89 3.953 -10.474 8.723 1.00 0.19 N ATOM 1338 CA LYS A 89 2.623 -9.856 8.481 1.00 0.19 C ATOM 1339 C LYS A 89 1.926 -9.902 9.831 1.00 0.21 C ATOM 1340 O LYS A 89 1.782 -10.960 10.409 1.00 0.39 O ATOM 1341 CB LYS A 89 1.834 -10.672 7.458 1.00 0.16 C ATOM 1342 CG LYS A 89 0.385 -10.188 7.443 1.00 0.22 C ATOM 1343 CD LYS A 89 -0.245 -10.506 6.088 1.00 0.26 C ATOM 1344 CE LYS A 89 -0.231 -9.250 5.214 1.00 1.54 C ATOM 1345 NZ LYS A 89 -1.630 -8.814 4.948 1.00 2.17 N ATOM 0 H LYS A 89 3.976 -11.491 8.654 1.00 0.19 H new ATOM 0 HA LYS A 89 2.706 -8.843 8.087 1.00 0.19 H new ATOM 0 HB2 LYS A 89 2.277 -10.563 6.468 1.00 0.16 H new ATOM 0 HB3 LYS A 89 1.874 -11.732 7.711 1.00 0.16 H new ATOM 0 HG2 LYS A 89 -0.179 -10.671 8.241 1.00 0.22 H new ATOM 0 HG3 LYS A 89 0.347 -9.115 7.631 1.00 0.22 H new ATOM 0 HD2 LYS A 89 0.305 -11.309 5.598 1.00 0.26 H new ATOM 0 HD3 LYS A 89 -1.268 -10.857 6.224 1.00 0.26 H new ATOM 0 HE2 LYS A 89 0.321 -8.453 5.713 1.00 1.54 H new ATOM 0 HE3 LYS A 89 0.283 -9.454 4.274 1.00 1.54 H new ATOM 0 HZ1 LYS A 89 -1.621 -7.960 4.354 1.00 2.17 H new ATOM 0 HZ2 LYS A 89 -2.142 -9.573 4.455 1.00 2.17 H new ATOM 0 HZ3 LYS A 89 -2.105 -8.604 5.849 1.00 2.17 H new ATOM 1359 N TYR A 90 1.559 -8.790 10.396 1.00 0.50 N ATOM 1360 CA TYR A 90 0.969 -8.873 11.752 1.00 0.50 C ATOM 1361 C TYR A 90 -0.317 -8.066 11.920 1.00 0.44 C ATOM 1362 O TYR A 90 -0.460 -6.960 11.436 1.00 0.53 O ATOM 1363 CB TYR A 90 1.993 -8.368 12.769 1.00 0.62 C ATOM 1364 CG TYR A 90 1.410 -8.571 14.127 1.00 0.51 C ATOM 1365 CD1 TYR A 90 0.888 -9.819 14.455 1.00 0.47 C ATOM 1366 CD2 TYR A 90 1.353 -7.515 15.040 1.00 0.52 C ATOM 1367 CE1 TYR A 90 0.294 -10.021 15.693 1.00 0.47 C ATOM 1368 CE2 TYR A 90 0.770 -7.718 16.290 1.00 0.42 C ATOM 1369 CZ TYR A 90 0.235 -8.975 16.613 1.00 0.42 C ATOM 1370 OH TYR A 90 -0.368 -9.181 17.826 1.00 0.46 O ATOM 0 H TYR A 90 1.638 -7.856 9.993 1.00 0.50 H new ATOM 0 HA TYR A 90 0.710 -9.920 11.913 1.00 0.50 H new ATOM 0 HB2 TYR A 90 2.933 -8.911 12.670 1.00 0.62 H new ATOM 0 HB3 TYR A 90 2.214 -7.314 12.600 1.00 0.62 H new ATOM 0 HD1 TYR A 90 0.945 -10.631 13.745 1.00 0.47 H new ATOM 0 HD2 TYR A 90 1.758 -6.548 14.779 1.00 0.52 H new ATOM 0 HE1 TYR A 90 -0.121 -10.986 15.943 1.00 0.47 H new ATOM 0 HE2 TYR A 90 0.730 -6.911 17.007 1.00 0.42 H new ATOM 0 HH TYR A 90 -0.696 -10.103 17.876 1.00 0.46 H new ATOM 1380 N THR A 91 -1.228 -8.618 12.683 1.00 0.30 N ATOM 1381 CA THR A 91 -2.496 -7.915 13.000 1.00 0.20 C ATOM 1382 C THR A 91 -2.240 -7.168 14.307 1.00 0.27 C ATOM 1383 O THR A 91 -1.498 -7.632 15.144 1.00 1.04 O ATOM 1384 CB THR A 91 -3.626 -8.929 13.195 1.00 0.28 C ATOM 1385 OG1 THR A 91 -3.072 -10.221 13.399 1.00 0.35 O ATOM 1386 CG2 THR A 91 -4.520 -8.941 11.956 1.00 0.43 C ATOM 0 H THR A 91 -1.139 -9.543 13.104 1.00 0.30 H new ATOM 0 HA THR A 91 -2.792 -7.240 12.197 1.00 0.20 H new ATOM 0 HB THR A 91 -4.221 -8.650 14.065 1.00 0.28 H new ATOM 0 HG1 THR A 91 -3.795 -10.871 13.526 1.00 0.35 H new ATOM 0 HG21 THR A 91 -5.325 -9.663 12.095 1.00 0.43 H new ATOM 0 HG22 THR A 91 -4.945 -7.949 11.804 1.00 0.43 H new ATOM 0 HG23 THR A 91 -3.929 -9.220 11.084 1.00 0.43 H new ATOM 1394 N TRP A 92 -2.791 -6.007 14.482 1.00 0.71 N ATOM 1395 CA TRP A 92 -2.499 -5.240 15.728 1.00 0.56 C ATOM 1396 C TRP A 92 -3.792 -4.819 16.418 1.00 0.55 C ATOM 1397 O TRP A 92 -4.400 -3.823 16.076 1.00 0.62 O ATOM 1398 CB TRP A 92 -1.685 -4.013 15.321 1.00 0.56 C ATOM 1399 CG TRP A 92 -1.217 -3.232 16.501 1.00 0.34 C ATOM 1400 CD1 TRP A 92 -0.483 -3.724 17.522 1.00 0.26 C ATOM 1401 CD2 TRP A 92 -1.408 -1.814 16.776 1.00 0.22 C ATOM 1402 NE1 TRP A 92 -0.204 -2.695 18.403 1.00 0.17 N ATOM 1403 CE2 TRP A 92 -0.752 -1.501 17.984 1.00 0.12 C ATOM 1404 CE3 TRP A 92 -2.079 -0.779 16.102 1.00 0.28 C ATOM 1405 CZ2 TRP A 92 -0.754 -0.209 18.500 1.00 0.22 C ATOM 1406 CZ3 TRP A 92 -2.086 0.524 16.631 1.00 0.20 C ATOM 1407 CH2 TRP A 92 -1.422 0.806 17.822 1.00 0.21 C ATOM 0 H TRP A 92 -3.427 -5.554 13.826 1.00 0.71 H new ATOM 0 HA TRP A 92 -1.943 -5.856 16.435 1.00 0.56 H new ATOM 0 HB2 TRP A 92 -0.824 -4.329 14.732 1.00 0.56 H new ATOM 0 HB3 TRP A 92 -2.292 -3.373 14.681 1.00 0.56 H new ATOM 0 HD1 TRP A 92 -0.166 -4.751 17.632 1.00 0.26 H new ATOM 0 HE1 TRP A 92 0.341 -2.806 19.258 1.00 0.17 H new ATOM 0 HE3 TRP A 92 -2.591 -0.985 15.174 1.00 0.28 H new ATOM 0 HZ2 TRP A 92 -0.238 0.006 19.424 1.00 0.22 H new ATOM 0 HZ3 TRP A 92 -2.610 1.311 16.110 1.00 0.20 H new ATOM 0 HH2 TRP A 92 -1.425 1.810 18.219 1.00 0.21 H new ATOM 1418 N ASN A 93 -4.211 -5.566 17.402 1.00 0.56 N ATOM 1419 CA ASN A 93 -5.457 -5.203 18.125 1.00 0.69 C ATOM 1420 C ASN A 93 -5.262 -3.838 18.778 1.00 0.60 C ATOM 1421 O ASN A 93 -4.613 -3.709 19.797 1.00 0.57 O ATOM 1422 CB ASN A 93 -5.742 -6.248 19.209 1.00 0.81 C ATOM 1423 CG ASN A 93 -6.818 -7.218 18.723 1.00 0.70 C ATOM 1424 OD1 ASN A 93 -7.996 -6.982 18.906 1.00 1.79 O ATOM 1425 ND2 ASN A 93 -6.459 -8.313 18.111 1.00 1.88 N ATOM 0 H ASN A 93 -3.744 -6.410 17.734 1.00 0.56 H new ATOM 0 HA ASN A 93 -6.295 -5.169 17.429 1.00 0.69 H new ATOM 0 HB2 ASN A 93 -4.830 -6.794 19.450 1.00 0.81 H new ATOM 0 HB3 ASN A 93 -6.070 -5.756 20.124 1.00 0.81 H new ATOM 0 HD21 ASN A 93 -7.167 -8.971 17.786 1.00 1.88 H new ATOM 0 HD22 ASN A 93 -5.470 -8.511 17.958 1.00 1.88 H new ATOM 1432 N VAL A 94 -5.823 -2.816 18.199 1.00 0.58 N ATOM 1433 CA VAL A 94 -5.678 -1.457 18.781 1.00 0.54 C ATOM 1434 C VAL A 94 -6.247 -1.467 20.201 1.00 0.77 C ATOM 1435 O VAL A 94 -7.222 -2.140 20.468 1.00 0.95 O ATOM 1436 CB VAL A 94 -6.450 -0.465 17.905 1.00 0.52 C ATOM 1437 CG1 VAL A 94 -6.383 0.937 18.509 1.00 0.53 C ATOM 1438 CG2 VAL A 94 -5.827 -0.444 16.507 1.00 0.55 C ATOM 0 H VAL A 94 -6.378 -2.864 17.344 1.00 0.58 H new ATOM 0 HA VAL A 94 -4.629 -1.162 18.819 1.00 0.54 H new ATOM 0 HB VAL A 94 -7.493 -0.775 17.846 1.00 0.52 H new ATOM 0 HG11 VAL A 94 -6.935 1.632 17.877 1.00 0.53 H new ATOM 0 HG12 VAL A 94 -6.823 0.925 19.506 1.00 0.53 H new ATOM 0 HG13 VAL A 94 -5.343 1.255 18.575 1.00 0.53 H new ATOM 0 HG21 VAL A 94 -6.371 0.260 15.877 1.00 0.55 H new ATOM 0 HG22 VAL A 94 -4.784 -0.136 16.578 1.00 0.55 H new ATOM 0 HG23 VAL A 94 -5.882 -1.441 16.069 1.00 0.55 H new ATOM 1448 N PRO A 95 -5.622 -0.723 21.074 1.00 0.82 N ATOM 1449 CA PRO A 95 -6.056 -0.635 22.474 1.00 1.06 C ATOM 1450 C PRO A 95 -7.363 0.151 22.572 1.00 1.01 C ATOM 1451 O PRO A 95 -7.460 1.287 22.151 1.00 1.09 O ATOM 1452 CB PRO A 95 -4.890 0.065 23.179 1.00 1.15 C ATOM 1453 CG PRO A 95 -4.100 0.809 22.077 1.00 0.96 C ATOM 1454 CD PRO A 95 -4.441 0.104 20.748 1.00 0.73 C ATOM 0 HA PRO A 95 -6.270 -1.602 22.929 1.00 1.06 H new ATOM 0 HB2 PRO A 95 -5.254 0.762 23.934 1.00 1.15 H new ATOM 0 HB3 PRO A 95 -4.255 -0.658 23.692 1.00 1.15 H new ATOM 0 HG2 PRO A 95 -4.380 1.862 22.042 1.00 0.96 H new ATOM 0 HG3 PRO A 95 -3.029 0.771 22.274 1.00 0.96 H new ATOM 0 HD2 PRO A 95 -4.663 0.824 19.960 1.00 0.73 H new ATOM 0 HD3 PRO A 95 -3.610 -0.508 20.396 1.00 0.73 H new ATOM 1462 N LYS A 96 -8.377 -0.474 23.106 1.00 0.89 N ATOM 1463 CA LYS A 96 -9.710 0.179 23.228 1.00 0.83 C ATOM 1464 C LYS A 96 -9.657 1.358 24.213 1.00 0.75 C ATOM 1465 O LYS A 96 -10.645 2.032 24.427 1.00 0.67 O ATOM 1466 CB LYS A 96 -10.714 -0.867 23.713 1.00 1.00 C ATOM 1467 CG LYS A 96 -11.847 -0.989 22.695 1.00 1.36 C ATOM 1468 CD LYS A 96 -13.103 -0.347 23.254 1.00 2.78 C ATOM 1469 CE LYS A 96 -14.283 -1.309 23.107 1.00 1.29 C ATOM 1470 NZ LYS A 96 -15.546 -0.528 23.001 1.00 3.02 N ATOM 0 H LYS A 96 -8.336 -1.426 23.469 1.00 0.89 H new ATOM 0 HA LYS A 96 -10.012 0.573 22.258 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -10.220 -1.830 23.842 1.00 1.00 H new ATOM 0 HB3 LYS A 96 -11.113 -0.581 24.686 1.00 1.00 H new ATOM 0 HG2 LYS A 96 -11.564 -0.505 21.760 1.00 1.36 H new ATOM 0 HG3 LYS A 96 -12.033 -2.038 22.467 1.00 1.36 H new ATOM 0 HD2 LYS A 96 -12.957 -0.093 24.304 1.00 2.78 H new ATOM 0 HD3 LYS A 96 -13.313 0.584 22.727 1.00 2.78 H new ATOM 0 HE2 LYS A 96 -14.151 -1.931 22.222 1.00 1.29 H new ATOM 0 HE3 LYS A 96 -14.328 -1.980 23.964 1.00 1.29 H new ATOM 0 HZ1 LYS A 96 -16.350 -1.180 22.901 1.00 3.02 H new ATOM 0 HZ2 LYS A 96 -15.671 0.047 23.858 1.00 3.02 H new ATOM 0 HZ3 LYS A 96 -15.500 0.095 22.170 1.00 3.02 H new ATOM 1484 N ILE A 97 -8.523 1.625 24.811 1.00 0.79 N ATOM 1485 CA ILE A 97 -8.438 2.766 25.763 1.00 0.72 C ATOM 1486 C ILE A 97 -7.987 4.014 25.014 1.00 0.66 C ATOM 1487 O ILE A 97 -8.241 5.128 25.430 1.00 0.63 O ATOM 1488 CB ILE A 97 -7.401 2.445 26.835 1.00 0.83 C ATOM 1489 CG1 ILE A 97 -5.988 2.653 26.273 1.00 0.92 C ATOM 1490 CG2 ILE A 97 -7.557 0.993 27.282 1.00 0.93 C ATOM 1491 CD1 ILE A 97 -4.963 2.463 27.393 1.00 1.06 C ATOM 0 H ILE A 97 -7.657 1.102 24.680 1.00 0.79 H new ATOM 0 HA ILE A 97 -9.414 2.934 26.218 1.00 0.72 H new ATOM 0 HB ILE A 97 -7.553 3.108 27.686 1.00 0.83 H new ATOM 0 HG12 ILE A 97 -5.797 1.945 25.467 1.00 0.92 H new ATOM 0 HG13 ILE A 97 -5.897 3.652 25.848 1.00 0.92 H new ATOM 0 HG21 ILE A 97 -6.815 0.766 28.048 1.00 0.93 H new ATOM 0 HG22 ILE A 97 -8.557 0.843 27.690 1.00 0.93 H new ATOM 0 HG23 ILE A 97 -7.411 0.332 26.428 1.00 0.93 H new ATOM 0 HD11 ILE A 97 -3.959 2.610 26.996 1.00 1.06 H new ATOM 0 HD12 ILE A 97 -5.150 3.189 28.185 1.00 1.06 H new ATOM 0 HD13 ILE A 97 -5.049 1.455 27.798 1.00 1.06 H new ATOM 1503 N ALA A 98 -7.298 3.812 23.926 1.00 0.65 N ATOM 1504 CA ALA A 98 -6.775 4.941 23.104 1.00 0.57 C ATOM 1505 C ALA A 98 -7.673 6.176 23.242 1.00 0.76 C ATOM 1506 O ALA A 98 -8.848 6.124 22.954 1.00 1.00 O ATOM 1507 CB ALA A 98 -6.736 4.520 21.632 1.00 0.55 C ATOM 0 H ALA A 98 -7.069 2.887 23.562 1.00 0.65 H new ATOM 0 HA ALA A 98 -5.774 5.190 23.456 1.00 0.57 H new ATOM 0 HB1 ALA A 98 -6.354 5.343 21.028 1.00 0.55 H new ATOM 0 HB2 ALA A 98 -6.084 3.654 21.518 1.00 0.55 H new ATOM 0 HB3 ALA A 98 -7.742 4.263 21.300 1.00 0.55 H new ATOM 1513 N PRO A 99 -7.091 7.258 23.668 1.00 0.74 N ATOM 1514 CA PRO A 99 -7.809 8.520 23.832 1.00 0.90 C ATOM 1515 C PRO A 99 -7.779 9.257 22.495 1.00 0.72 C ATOM 1516 O PRO A 99 -6.720 9.618 22.030 1.00 0.88 O ATOM 1517 CB PRO A 99 -6.977 9.262 24.881 1.00 1.03 C ATOM 1518 CG PRO A 99 -5.553 8.648 24.824 1.00 0.91 C ATOM 1519 CD PRO A 99 -5.668 7.328 24.038 1.00 0.71 C ATOM 0 HA PRO A 99 -8.852 8.417 24.131 1.00 0.90 H new ATOM 0 HB2 PRO A 99 -6.948 10.331 24.669 1.00 1.03 H new ATOM 0 HB3 PRO A 99 -7.411 9.146 25.874 1.00 1.03 H new ATOM 0 HG2 PRO A 99 -4.857 9.330 24.335 1.00 0.91 H new ATOM 0 HG3 PRO A 99 -5.169 8.468 25.828 1.00 0.91 H new ATOM 0 HD2 PRO A 99 -5.026 7.331 23.157 1.00 0.71 H new ATOM 0 HD3 PRO A 99 -5.371 6.474 24.646 1.00 0.71 H new ATOM 1527 N LYS A 100 -8.914 9.466 21.867 1.00 0.45 N ATOM 1528 CA LYS A 100 -8.924 10.172 20.546 1.00 0.27 C ATOM 1529 C LYS A 100 -7.891 11.293 20.576 1.00 0.16 C ATOM 1530 O LYS A 100 -8.158 12.397 21.008 1.00 0.15 O ATOM 1531 CB LYS A 100 -10.316 10.752 20.280 1.00 0.27 C ATOM 1532 CG LYS A 100 -11.004 9.944 19.175 1.00 1.00 C ATOM 1533 CD LYS A 100 -11.299 10.852 17.979 1.00 1.55 C ATOM 1534 CE LYS A 100 -9.998 11.489 17.487 1.00 2.93 C ATOM 1535 NZ LYS A 100 -10.184 12.963 17.368 1.00 4.10 N ATOM 0 H LYS A 100 -9.830 9.179 22.212 1.00 0.45 H new ATOM 0 HA LYS A 100 -8.678 9.469 19.750 1.00 0.27 H new ATOM 0 HB2 LYS A 100 -10.913 10.724 21.191 1.00 0.27 H new ATOM 0 HB3 LYS A 100 -10.235 11.798 19.984 1.00 0.27 H new ATOM 0 HG2 LYS A 100 -10.366 9.116 18.866 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -11.930 9.510 19.552 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -11.760 10.276 17.177 1.00 1.55 H new ATOM 0 HD3 LYS A 100 -12.010 11.627 18.264 1.00 1.55 H new ATOM 0 HE2 LYS A 100 -9.187 11.268 18.181 1.00 2.93 H new ATOM 0 HE3 LYS A 100 -9.716 11.068 16.522 1.00 2.93 H new ATOM 0 HZ1 LYS A 100 -9.301 13.398 17.034 1.00 4.10 H new ATOM 0 HZ2 LYS A 100 -10.947 13.163 16.690 1.00 4.10 H new ATOM 0 HZ3 LYS A 100 -10.434 13.357 18.297 1.00 4.10 H new ATOM 1549 N SER A 101 -6.701 10.997 20.142 1.00 0.22 N ATOM 1550 CA SER A 101 -5.618 12.006 20.160 1.00 0.37 C ATOM 1551 C SER A 101 -5.415 12.554 18.751 1.00 0.37 C ATOM 1552 O SER A 101 -5.021 11.840 17.851 1.00 0.27 O ATOM 1553 CB SER A 101 -4.333 11.337 20.649 1.00 0.45 C ATOM 1554 OG SER A 101 -3.513 12.308 21.283 1.00 0.62 O ATOM 0 H SER A 101 -6.432 10.086 19.771 1.00 0.22 H new ATOM 0 HA SER A 101 -5.880 12.828 20.826 1.00 0.37 H new ATOM 0 HB2 SER A 101 -4.570 10.533 21.346 1.00 0.45 H new ATOM 0 HB3 SER A 101 -3.802 10.886 19.811 1.00 0.45 H new ATOM 0 HG SER A 101 -3.730 12.346 22.238 1.00 0.62 H new ATOM 1560 N GLU A 102 -5.684 13.815 18.557 1.00 0.62 N ATOM 1561 CA GLU A 102 -5.511 14.417 17.208 1.00 0.77 C ATOM 1562 C GLU A 102 -4.223 13.890 16.573 1.00 0.59 C ATOM 1563 O GLU A 102 -4.154 13.667 15.380 1.00 0.57 O ATOM 1564 CB GLU A 102 -5.427 15.936 17.344 1.00 1.06 C ATOM 1565 CG GLU A 102 -4.193 16.439 16.596 1.00 2.42 C ATOM 1566 CD GLU A 102 -4.168 17.967 16.614 1.00 3.01 C ATOM 1567 OE1 GLU A 102 -5.158 18.552 17.023 1.00 3.84 O ATOM 1568 OE2 GLU A 102 -3.160 18.528 16.218 1.00 2.64 O ATOM 0 H GLU A 102 -6.017 14.455 19.278 1.00 0.62 H new ATOM 0 HA GLU A 102 -6.359 14.151 16.577 1.00 0.77 H new ATOM 0 HB2 GLU A 102 -6.327 16.400 16.939 1.00 1.06 H new ATOM 0 HB3 GLU A 102 -5.369 16.216 18.396 1.00 1.06 H new ATOM 0 HG2 GLU A 102 -3.289 16.045 17.060 1.00 2.42 H new ATOM 0 HG3 GLU A 102 -4.207 16.078 15.568 1.00 2.42 H new ATOM 1575 N ASN A 103 -3.199 13.686 17.358 1.00 0.50 N ATOM 1576 CA ASN A 103 -1.924 13.173 16.781 1.00 0.34 C ATOM 1577 C ASN A 103 -1.447 11.951 17.565 1.00 0.35 C ATOM 1578 O ASN A 103 -1.508 11.910 18.777 1.00 0.49 O ATOM 1579 CB ASN A 103 -0.851 14.261 16.845 1.00 0.23 C ATOM 1580 CG ASN A 103 0.510 13.655 16.495 1.00 1.33 C ATOM 1581 OD1 ASN A 103 0.983 13.796 15.384 1.00 2.19 O ATOM 1582 ND2 ASN A 103 1.166 12.983 17.403 1.00 2.32 N ATOM 0 H ASN A 103 -3.190 13.851 18.365 1.00 0.50 H new ATOM 0 HA ASN A 103 -2.098 12.891 15.743 1.00 0.34 H new ATOM 0 HB2 ASN A 103 -1.092 15.066 16.151 1.00 0.23 H new ATOM 0 HB3 ASN A 103 -0.821 14.699 17.843 1.00 0.23 H new ATOM 0 HD21 ASN A 103 2.075 12.577 17.180 1.00 2.32 H new ATOM 0 HD22 ASN A 103 0.770 12.864 18.335 1.00 2.32 H new ATOM 1589 N VAL A 104 -0.971 10.956 16.872 1.00 0.34 N ATOM 1590 CA VAL A 104 -0.488 9.730 17.553 1.00 0.34 C ATOM 1591 C VAL A 104 0.841 9.283 16.940 1.00 0.27 C ATOM 1592 O VAL A 104 1.102 9.498 15.773 1.00 0.32 O ATOM 1593 CB VAL A 104 -1.528 8.630 17.385 1.00 0.47 C ATOM 1594 CG1 VAL A 104 -1.151 7.434 18.260 1.00 0.52 C ATOM 1595 CG2 VAL A 104 -2.896 9.172 17.809 1.00 1.39 C ATOM 0 H VAL A 104 -0.896 10.942 15.855 1.00 0.34 H new ATOM 0 HA VAL A 104 -0.335 9.935 18.613 1.00 0.34 H new ATOM 0 HB VAL A 104 -1.567 8.311 16.344 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -1.895 6.647 18.140 1.00 0.52 H new ATOM 0 HG12 VAL A 104 -0.173 7.058 17.960 1.00 0.52 H new ATOM 0 HG13 VAL A 104 -1.116 7.744 19.304 1.00 0.52 H new ATOM 0 HG21 VAL A 104 -3.648 8.392 17.693 1.00 1.39 H new ATOM 0 HG22 VAL A 104 -2.856 9.485 18.852 1.00 1.39 H new ATOM 0 HG23 VAL A 104 -3.159 10.026 17.184 1.00 1.39 H new ATOM 1605 N VAL A 105 1.677 8.649 17.712 1.00 0.21 N ATOM 1606 CA VAL A 105 2.978 8.171 17.170 1.00 0.20 C ATOM 1607 C VAL A 105 3.068 6.665 17.403 1.00 0.20 C ATOM 1608 O VAL A 105 3.053 6.200 18.525 1.00 0.18 O ATOM 1609 CB VAL A 105 4.129 8.877 17.894 1.00 0.20 C ATOM 1610 CG1 VAL A 105 5.407 8.754 17.064 1.00 0.64 C ATOM 1611 CG2 VAL A 105 3.788 10.358 18.082 1.00 0.83 C ATOM 0 H VAL A 105 1.515 8.441 18.697 1.00 0.21 H new ATOM 0 HA VAL A 105 3.047 8.391 16.105 1.00 0.20 H new ATOM 0 HB VAL A 105 4.280 8.412 18.868 1.00 0.20 H new ATOM 0 HG11 VAL A 105 6.225 9.256 17.580 1.00 0.64 H new ATOM 0 HG12 VAL A 105 5.654 7.701 16.931 1.00 0.64 H new ATOM 0 HG13 VAL A 105 5.254 9.217 16.089 1.00 0.64 H new ATOM 0 HG21 VAL A 105 4.608 10.858 18.597 1.00 0.83 H new ATOM 0 HG22 VAL A 105 3.635 10.823 17.108 1.00 0.83 H new ATOM 0 HG23 VAL A 105 2.878 10.449 18.675 1.00 0.83 H new ATOM 1621 N VAL A 106 3.146 5.893 16.360 1.00 0.30 N ATOM 1622 CA VAL A 106 3.217 4.419 16.544 1.00 0.33 C ATOM 1623 C VAL A 106 4.662 3.943 16.430 1.00 0.27 C ATOM 1624 O VAL A 106 5.434 4.437 15.632 1.00 0.28 O ATOM 1625 CB VAL A 106 2.354 3.725 15.495 1.00 0.42 C ATOM 1626 CG1 VAL A 106 2.056 2.296 15.959 1.00 0.45 C ATOM 1627 CG2 VAL A 106 1.042 4.501 15.337 1.00 0.44 C ATOM 0 H VAL A 106 3.164 6.215 15.392 1.00 0.30 H new ATOM 0 HA VAL A 106 2.843 4.168 17.537 1.00 0.33 H new ATOM 0 HB VAL A 106 2.876 3.694 14.539 1.00 0.42 H new ATOM 0 HG11 VAL A 106 1.439 1.793 15.214 1.00 0.45 H new ATOM 0 HG12 VAL A 106 2.992 1.751 16.083 1.00 0.45 H new ATOM 0 HG13 VAL A 106 1.525 2.326 16.910 1.00 0.45 H new ATOM 0 HG21 VAL A 106 0.418 4.012 14.589 1.00 0.44 H new ATOM 0 HG22 VAL A 106 0.515 4.523 16.291 1.00 0.44 H new ATOM 0 HG23 VAL A 106 1.259 5.521 15.019 1.00 0.44 H new ATOM 1637 N THR A 107 5.026 2.987 17.235 1.00 0.29 N ATOM 1638 CA THR A 107 6.414 2.463 17.210 1.00 0.24 C ATOM 1639 C THR A 107 6.386 0.953 17.020 1.00 0.29 C ATOM 1640 O THR A 107 5.907 0.224 17.857 1.00 0.38 O ATOM 1641 CB THR A 107 7.087 2.767 18.550 1.00 0.23 C ATOM 1642 OG1 THR A 107 6.977 4.158 18.829 1.00 0.22 O ATOM 1643 CG2 THR A 107 8.563 2.375 18.483 1.00 0.23 C ATOM 0 H THR A 107 4.412 2.542 17.917 1.00 0.29 H new ATOM 0 HA THR A 107 6.961 2.932 16.392 1.00 0.24 H new ATOM 0 HB THR A 107 6.598 2.197 19.340 1.00 0.23 H new ATOM 0 HG1 THR A 107 7.406 4.354 19.688 1.00 0.22 H new ATOM 0 HG21 THR A 107 9.041 2.592 19.438 1.00 0.23 H new ATOM 0 HG22 THR A 107 8.647 1.310 18.269 1.00 0.23 H new ATOM 0 HG23 THR A 107 9.055 2.943 17.694 1.00 0.23 H new ATOM 1651 N VAL A 108 6.924 0.466 15.948 1.00 0.25 N ATOM 1652 CA VAL A 108 6.945 -1.004 15.753 1.00 0.29 C ATOM 1653 C VAL A 108 8.310 -1.494 16.218 1.00 0.29 C ATOM 1654 O VAL A 108 9.325 -0.988 15.797 1.00 0.27 O ATOM 1655 CB VAL A 108 6.744 -1.318 14.272 1.00 0.27 C ATOM 1656 CG1 VAL A 108 8.051 -1.846 13.667 1.00 0.31 C ATOM 1657 CG2 VAL A 108 5.640 -2.366 14.126 1.00 0.31 C ATOM 0 H VAL A 108 7.348 1.016 15.201 1.00 0.25 H new ATOM 0 HA VAL A 108 6.151 -1.495 16.317 1.00 0.29 H new ATOM 0 HB VAL A 108 6.455 -0.410 13.743 1.00 0.27 H new ATOM 0 HG11 VAL A 108 7.899 -2.068 12.611 1.00 0.31 H new ATOM 0 HG12 VAL A 108 8.831 -1.092 13.771 1.00 0.31 H new ATOM 0 HG13 VAL A 108 8.353 -2.754 14.189 1.00 0.31 H new ATOM 0 HG21 VAL A 108 5.492 -2.594 13.070 1.00 0.31 H new ATOM 0 HG22 VAL A 108 5.928 -3.274 14.657 1.00 0.31 H new ATOM 0 HG23 VAL A 108 4.712 -1.978 14.547 1.00 0.31 H new ATOM 1667 N LYS A 109 8.363 -2.437 17.108 1.00 0.34 N ATOM 1668 CA LYS A 109 9.697 -2.874 17.595 1.00 0.36 C ATOM 1669 C LYS A 109 9.797 -4.392 17.662 1.00 0.39 C ATOM 1670 O LYS A 109 8.913 -5.071 18.134 1.00 0.53 O ATOM 1671 CB LYS A 109 9.911 -2.304 18.995 1.00 0.42 C ATOM 1672 CG LYS A 109 11.394 -2.018 19.215 1.00 0.44 C ATOM 1673 CD LYS A 109 11.759 -2.364 20.658 1.00 0.55 C ATOM 1674 CE LYS A 109 10.713 -1.774 21.603 1.00 0.74 C ATOM 1675 NZ LYS A 109 10.718 -0.287 21.490 1.00 1.02 N ATOM 0 H LYS A 109 7.560 -2.917 17.514 1.00 0.34 H new ATOM 0 HA LYS A 109 10.456 -2.513 16.901 1.00 0.36 H new ATOM 0 HB2 LYS A 109 9.333 -1.388 19.117 1.00 0.42 H new ATOM 0 HB3 LYS A 109 9.552 -3.010 19.744 1.00 0.42 H new ATOM 0 HG2 LYS A 109 11.997 -2.605 18.523 1.00 0.44 H new ATOM 0 HG3 LYS A 109 11.609 -0.969 19.014 1.00 0.44 H new ATOM 0 HD2 LYS A 109 11.808 -3.446 20.783 1.00 0.55 H new ATOM 0 HD3 LYS A 109 12.746 -1.970 20.899 1.00 0.55 H new ATOM 0 HE2 LYS A 109 9.725 -2.164 21.357 1.00 0.74 H new ATOM 0 HE3 LYS A 109 10.927 -2.071 22.630 1.00 0.74 H new ATOM 0 HZ1 LYS A 109 10.120 0.120 22.237 1.00 1.02 H new ATOM 0 HZ2 LYS A 109 11.691 0.066 21.595 1.00 1.02 H new ATOM 0 HZ3 LYS A 109 10.347 -0.008 20.559 1.00 1.02 H new ATOM 1689 N LEU A 110 10.902 -4.917 17.226 1.00 0.30 N ATOM 1690 CA LEU A 110 11.121 -6.383 17.296 1.00 0.28 C ATOM 1691 C LEU A 110 12.263 -6.608 18.282 1.00 0.27 C ATOM 1692 O LEU A 110 13.209 -5.849 18.308 1.00 0.29 O ATOM 1693 CB LEU A 110 11.521 -6.931 15.923 1.00 0.27 C ATOM 1694 CG LEU A 110 10.308 -6.962 14.989 1.00 0.29 C ATOM 1695 CD1 LEU A 110 10.589 -7.917 13.828 1.00 0.37 C ATOM 1696 CD2 LEU A 110 9.074 -7.446 15.751 1.00 0.28 C ATOM 0 H LEU A 110 11.672 -4.387 16.819 1.00 0.30 H new ATOM 0 HA LEU A 110 10.210 -6.893 17.610 1.00 0.28 H new ATOM 0 HB2 LEU A 110 12.306 -6.310 15.491 1.00 0.27 H new ATOM 0 HB3 LEU A 110 11.932 -7.935 16.030 1.00 0.27 H new ATOM 0 HG LEU A 110 10.124 -5.957 14.608 1.00 0.29 H new ATOM 0 HD11 LEU A 110 9.728 -7.942 13.161 1.00 0.37 H new ATOM 0 HD12 LEU A 110 11.465 -7.573 13.278 1.00 0.37 H new ATOM 0 HD13 LEU A 110 10.775 -8.918 14.217 1.00 0.37 H new ATOM 0 HD21 LEU A 110 8.216 -7.465 15.079 1.00 0.28 H new ATOM 0 HD22 LEU A 110 9.255 -8.449 16.137 1.00 0.28 H new ATOM 0 HD23 LEU A 110 8.870 -6.769 16.581 1.00 0.28 H new ATOM 1708 N ILE A 111 12.190 -7.609 19.113 1.00 0.23 N ATOM 1709 CA ILE A 111 13.281 -7.815 20.090 1.00 0.19 C ATOM 1710 C ILE A 111 13.698 -9.282 20.134 1.00 0.14 C ATOM 1711 O ILE A 111 12.941 -10.144 20.534 1.00 0.18 O ATOM 1712 CB ILE A 111 12.795 -7.408 21.471 1.00 0.18 C ATOM 1713 CG1 ILE A 111 12.470 -5.916 21.479 1.00 0.28 C ATOM 1714 CG2 ILE A 111 13.899 -7.705 22.472 1.00 0.14 C ATOM 1715 CD1 ILE A 111 11.132 -5.678 20.773 1.00 0.29 C ATOM 0 H ILE A 111 11.427 -8.285 19.155 1.00 0.23 H new ATOM 0 HA ILE A 111 14.136 -7.210 19.788 1.00 0.19 H new ATOM 0 HB ILE A 111 11.895 -7.963 21.735 1.00 0.18 H new ATOM 0 HG12 ILE A 111 12.422 -5.549 22.504 1.00 0.28 H new ATOM 0 HG13 ILE A 111 13.261 -5.358 20.978 1.00 0.28 H new ATOM 0 HG21 ILE A 111 13.570 -7.420 23.471 1.00 0.14 H new ATOM 0 HG22 ILE A 111 14.128 -8.771 22.456 1.00 0.14 H new ATOM 0 HG23 ILE A 111 14.792 -7.138 22.208 1.00 0.14 H new ATOM 0 HD11 ILE A 111 10.902 -4.613 20.780 1.00 0.29 H new ATOM 0 HD12 ILE A 111 11.197 -6.029 19.743 1.00 0.29 H new ATOM 0 HD13 ILE A 111 10.344 -6.223 21.293 1.00 0.29 H new ATOM 1727 N GLY A 112 14.911 -9.568 19.757 1.00 0.14 N ATOM 1728 CA GLY A 112 15.390 -10.975 19.812 1.00 0.18 C ATOM 1729 C GLY A 112 15.927 -11.246 21.216 1.00 0.27 C ATOM 1730 O GLY A 112 15.487 -10.651 22.182 1.00 0.62 O ATOM 0 H GLY A 112 15.591 -8.889 19.414 1.00 0.14 H new ATOM 0 HA2 GLY A 112 14.577 -11.662 19.578 1.00 0.18 H new ATOM 0 HA3 GLY A 112 16.170 -11.139 19.069 1.00 0.18 H new ATOM 1734 N ASP A 113 16.874 -12.129 21.345 1.00 0.35 N ATOM 1735 CA ASP A 113 17.437 -12.424 22.694 1.00 0.38 C ATOM 1736 C ASP A 113 18.716 -11.611 22.904 1.00 0.38 C ATOM 1737 O ASP A 113 19.351 -11.696 23.937 1.00 0.40 O ATOM 1738 CB ASP A 113 17.775 -13.910 22.791 1.00 0.45 C ATOM 1739 CG ASP A 113 16.519 -14.704 23.153 1.00 0.70 C ATOM 1740 OD1 ASP A 113 15.781 -15.051 22.246 1.00 1.03 O ATOM 1741 OD2 ASP A 113 16.318 -14.954 24.330 1.00 1.22 O ATOM 0 H ASP A 113 17.284 -12.660 20.577 1.00 0.35 H new ATOM 0 HA ASP A 113 16.702 -12.160 23.455 1.00 0.38 H new ATOM 0 HB2 ASP A 113 18.179 -14.263 21.842 1.00 0.45 H new ATOM 0 HB3 ASP A 113 18.546 -14.069 23.545 1.00 0.45 H new ATOM 1746 N ASN A 114 19.112 -10.836 21.931 1.00 0.36 N ATOM 1747 CA ASN A 114 20.364 -10.041 22.086 1.00 0.36 C ATOM 1748 C ASN A 114 20.050 -8.539 22.065 1.00 0.30 C ATOM 1749 O ASN A 114 20.928 -7.715 22.225 1.00 0.28 O ATOM 1750 CB ASN A 114 21.331 -10.379 20.946 1.00 0.38 C ATOM 1751 CG ASN A 114 21.154 -11.843 20.534 1.00 1.91 C ATOM 1752 OD1 ASN A 114 20.118 -12.221 20.026 1.00 4.25 O ATOM 1753 ND2 ASN A 114 22.129 -12.688 20.733 1.00 1.06 N ATOM 0 H ASN A 114 18.627 -10.719 21.041 1.00 0.36 H new ATOM 0 HA ASN A 114 20.823 -10.291 23.043 1.00 0.36 H new ATOM 0 HB2 ASN A 114 21.145 -9.726 20.093 1.00 0.38 H new ATOM 0 HB3 ASN A 114 22.359 -10.203 21.264 1.00 0.38 H new ATOM 0 HD21 ASN A 114 22.020 -13.665 20.462 1.00 1.06 H new ATOM 0 HD22 ASN A 114 23.000 -12.371 21.160 1.00 1.06 H new ATOM 1760 N GLY A 115 18.813 -8.173 21.873 1.00 0.28 N ATOM 1761 CA GLY A 115 18.466 -6.722 21.849 1.00 0.22 C ATOM 1762 C GLY A 115 17.276 -6.488 20.917 1.00 0.16 C ATOM 1763 O GLY A 115 16.581 -7.411 20.544 1.00 0.21 O ATOM 0 H GLY A 115 18.030 -8.811 21.732 1.00 0.28 H new ATOM 0 HA2 GLY A 115 18.224 -6.380 22.855 1.00 0.22 H new ATOM 0 HA3 GLY A 115 19.323 -6.139 21.512 1.00 0.22 H new ATOM 1767 N VAL A 116 17.034 -5.260 20.539 1.00 0.37 N ATOM 1768 CA VAL A 116 15.886 -4.974 19.633 1.00 0.31 C ATOM 1769 C VAL A 116 16.258 -5.346 18.198 1.00 0.27 C ATOM 1770 O VAL A 116 17.099 -4.721 17.583 1.00 0.31 O ATOM 1771 CB VAL A 116 15.536 -3.483 19.690 1.00 0.35 C ATOM 1772 CG1 VAL A 116 14.066 -3.293 19.324 1.00 0.32 C ATOM 1773 CG2 VAL A 116 15.779 -2.953 21.105 1.00 0.39 C ATOM 0 H VAL A 116 17.581 -4.446 20.818 1.00 0.37 H new ATOM 0 HA VAL A 116 15.026 -5.562 19.954 1.00 0.31 H new ATOM 0 HB VAL A 116 16.163 -2.937 18.985 1.00 0.35 H new ATOM 0 HG11 VAL A 116 13.815 -2.233 19.364 1.00 0.32 H new ATOM 0 HG12 VAL A 116 13.890 -3.670 18.316 1.00 0.32 H new ATOM 0 HG13 VAL A 116 13.442 -3.840 20.030 1.00 0.32 H new ATOM 0 HG21 VAL A 116 15.530 -1.893 21.144 1.00 0.39 H new ATOM 0 HG22 VAL A 116 15.153 -3.499 21.811 1.00 0.39 H new ATOM 0 HG23 VAL A 116 16.828 -3.089 21.369 1.00 0.39 H new ATOM 1783 N LEU A 117 15.639 -6.358 17.658 1.00 0.22 N ATOM 1784 CA LEU A 117 15.957 -6.764 16.261 1.00 0.21 C ATOM 1785 C LEU A 117 15.715 -5.588 15.304 1.00 0.23 C ATOM 1786 O LEU A 117 16.462 -5.382 14.369 1.00 0.28 O ATOM 1787 CB LEU A 117 15.063 -7.936 15.853 1.00 0.14 C ATOM 1788 CG LEU A 117 15.535 -9.213 16.552 1.00 0.18 C ATOM 1789 CD1 LEU A 117 14.387 -10.223 16.595 1.00 0.38 C ATOM 1790 CD2 LEU A 117 16.711 -9.814 15.776 1.00 0.09 C ATOM 0 H LEU A 117 14.927 -6.921 18.123 1.00 0.22 H new ATOM 0 HA LEU A 117 17.004 -7.062 16.208 1.00 0.21 H new ATOM 0 HB2 LEU A 117 14.027 -7.726 16.120 1.00 0.14 H new ATOM 0 HB3 LEU A 117 15.093 -8.070 14.772 1.00 0.14 H new ATOM 0 HG LEU A 117 15.851 -8.976 17.568 1.00 0.18 H new ATOM 0 HD11 LEU A 117 14.722 -11.133 17.093 1.00 0.38 H new ATOM 0 HD12 LEU A 117 13.548 -9.797 17.144 1.00 0.38 H new ATOM 0 HD13 LEU A 117 14.072 -10.460 15.579 1.00 0.38 H new ATOM 0 HD21 LEU A 117 17.048 -10.724 16.273 1.00 0.09 H new ATOM 0 HD22 LEU A 117 16.394 -10.052 14.761 1.00 0.09 H new ATOM 0 HD23 LEU A 117 17.529 -9.095 15.741 1.00 0.09 H new ATOM 1802 N ALA A 118 14.678 -4.817 15.522 1.00 0.20 N ATOM 1803 CA ALA A 118 14.410 -3.669 14.612 1.00 0.23 C ATOM 1804 C ALA A 118 13.563 -2.636 15.347 1.00 0.26 C ATOM 1805 O ALA A 118 13.350 -2.732 16.539 1.00 0.36 O ATOM 1806 CB ALA A 118 13.651 -4.160 13.378 1.00 0.17 C ATOM 0 H ALA A 118 14.012 -4.934 16.286 1.00 0.20 H new ATOM 0 HA ALA A 118 15.354 -3.220 14.302 1.00 0.23 H new ATOM 0 HB1 ALA A 118 13.455 -3.319 12.713 1.00 0.17 H new ATOM 0 HB2 ALA A 118 14.250 -4.905 12.855 1.00 0.17 H new ATOM 0 HB3 ALA A 118 12.706 -4.606 13.686 1.00 0.17 H new ATOM 1812 N CYS A 119 13.081 -1.646 14.652 1.00 0.23 N ATOM 1813 CA CYS A 119 12.251 -0.612 15.324 1.00 0.26 C ATOM 1814 C CYS A 119 11.756 0.402 14.281 1.00 0.23 C ATOM 1815 O CYS A 119 12.401 0.629 13.276 1.00 0.45 O ATOM 1816 CB CYS A 119 13.103 0.095 16.383 1.00 0.47 C ATOM 1817 SG CYS A 119 12.580 1.819 16.535 1.00 0.46 S ATOM 0 H CYS A 119 13.225 -1.509 13.652 1.00 0.23 H new ATOM 0 HA CYS A 119 11.388 -1.076 15.803 1.00 0.26 H new ATOM 0 HB2 CYS A 119 13.002 -0.412 17.343 1.00 0.47 H new ATOM 0 HB3 CYS A 119 14.156 0.048 16.107 1.00 0.47 H new ATOM 1822 N ALA A 120 10.619 1.011 14.505 1.00 0.16 N ATOM 1823 CA ALA A 120 10.095 2.000 13.519 1.00 0.19 C ATOM 1824 C ALA A 120 9.273 3.068 14.244 1.00 0.16 C ATOM 1825 O ALA A 120 8.710 2.821 15.288 1.00 0.14 O ATOM 1826 CB ALA A 120 9.194 1.295 12.503 1.00 0.39 C ATOM 0 H ALA A 120 10.033 0.865 15.327 1.00 0.16 H new ATOM 0 HA ALA A 120 10.938 2.464 13.007 1.00 0.19 H new ATOM 0 HB1 ALA A 120 8.815 2.023 11.786 1.00 0.39 H new ATOM 0 HB2 ALA A 120 9.767 0.532 11.976 1.00 0.39 H new ATOM 0 HB3 ALA A 120 8.357 0.827 13.022 1.00 0.39 H new ATOM 1832 N ILE A 121 9.192 4.247 13.691 1.00 0.20 N ATOM 1833 CA ILE A 121 8.395 5.319 14.333 1.00 0.27 C ATOM 1834 C ILE A 121 7.546 6.010 13.263 1.00 0.29 C ATOM 1835 O ILE A 121 8.000 6.248 12.163 1.00 0.54 O ATOM 1836 CB ILE A 121 9.334 6.333 14.980 1.00 0.37 C ATOM 1837 CG1 ILE A 121 10.495 5.602 15.659 1.00 0.79 C ATOM 1838 CG2 ILE A 121 8.559 7.119 16.024 1.00 0.89 C ATOM 1839 CD1 ILE A 121 11.548 6.620 16.094 1.00 0.79 C ATOM 0 H ILE A 121 9.648 4.511 12.817 1.00 0.20 H new ATOM 0 HA ILE A 121 7.747 4.894 15.100 1.00 0.27 H new ATOM 0 HB ILE A 121 9.729 7.006 14.219 1.00 0.37 H new ATOM 0 HG12 ILE A 121 10.133 5.044 16.523 1.00 0.79 H new ATOM 0 HG13 ILE A 121 10.934 4.878 14.973 1.00 0.79 H new ATOM 0 HG21 ILE A 121 9.219 7.848 16.495 1.00 0.89 H new ATOM 0 HG22 ILE A 121 7.728 7.637 15.546 1.00 0.89 H new ATOM 0 HG23 ILE A 121 8.174 6.436 16.781 1.00 0.89 H new ATOM 0 HD11 ILE A 121 12.376 6.103 16.578 1.00 0.79 H new ATOM 0 HD12 ILE A 121 11.917 7.158 15.221 1.00 0.79 H new ATOM 0 HD13 ILE A 121 11.103 7.327 16.794 1.00 0.79 H new ATOM 1851 N ALA A 122 6.317 6.325 13.561 1.00 0.33 N ATOM 1852 CA ALA A 122 5.457 6.989 12.539 1.00 0.29 C ATOM 1853 C ALA A 122 5.601 8.509 12.651 1.00 0.60 C ATOM 1854 O ALA A 122 5.559 9.072 13.727 1.00 0.91 O ATOM 1855 CB ALA A 122 3.996 6.596 12.769 1.00 0.66 C ATOM 0 H ALA A 122 5.871 6.153 14.462 1.00 0.33 H new ATOM 0 HA ALA A 122 5.768 6.670 11.544 1.00 0.29 H new ATOM 0 HB1 ALA A 122 3.367 7.081 12.023 1.00 0.66 H new ATOM 0 HB2 ALA A 122 3.892 5.514 12.684 1.00 0.66 H new ATOM 0 HB3 ALA A 122 3.687 6.912 13.765 1.00 0.66 H new ATOM 1861 N THR A 123 5.776 9.173 11.541 1.00 0.82 N ATOM 1862 CA THR A 123 5.929 10.655 11.563 1.00 1.37 C ATOM 1863 C THR A 123 4.653 11.303 12.104 1.00 1.11 C ATOM 1864 O THR A 123 4.642 11.877 13.175 1.00 2.06 O ATOM 1865 CB THR A 123 6.189 11.157 10.138 1.00 1.75 C ATOM 1866 OG1 THR A 123 6.804 10.124 9.380 1.00 1.51 O ATOM 1867 CG2 THR A 123 7.107 12.381 10.177 1.00 2.49 C ATOM 0 H THR A 123 5.820 8.749 10.614 1.00 0.82 H new ATOM 0 HA THR A 123 6.767 10.921 12.208 1.00 1.37 H new ATOM 0 HB THR A 123 5.242 11.436 9.675 1.00 1.75 H new ATOM 0 HG1 THR A 123 6.970 10.442 8.468 1.00 1.51 H new ATOM 0 HG21 THR A 123 7.288 12.733 9.161 1.00 2.49 H new ATOM 0 HG22 THR A 123 6.633 13.173 10.756 1.00 2.49 H new ATOM 0 HG23 THR A 123 8.055 12.110 10.641 1.00 2.49 H new ATOM 1875 N HIS A 124 3.579 11.228 11.364 1.00 0.32 N ATOM 1876 CA HIS A 124 2.310 11.855 11.830 1.00 0.83 C ATOM 1877 C HIS A 124 1.160 10.846 11.757 1.00 0.31 C ATOM 1878 O HIS A 124 1.065 10.059 10.835 1.00 0.54 O ATOM 1879 CB HIS A 124 1.987 13.052 10.937 1.00 1.70 C ATOM 1880 CG HIS A 124 1.326 14.128 11.752 1.00 2.50 C ATOM 1881 ND1 HIS A 124 1.983 15.297 12.098 1.00 4.09 N ATOM 1882 CD2 HIS A 124 0.066 14.233 12.287 1.00 2.46 C ATOM 1883 CE1 HIS A 124 1.124 16.051 12.808 1.00 4.66 C ATOM 1884 NE2 HIS A 124 -0.059 15.448 12.954 1.00 3.82 N ATOM 0 H HIS A 124 3.526 10.760 10.459 1.00 0.32 H new ATOM 0 HA HIS A 124 2.431 12.179 12.864 1.00 0.83 H new ATOM 0 HB2 HIS A 124 2.900 13.436 10.483 1.00 1.70 H new ATOM 0 HB3 HIS A 124 1.331 12.744 10.123 1.00 1.70 H new ATOM 0 HD2 HIS A 124 -0.710 13.486 12.203 1.00 2.46 H new ATOM 0 HE1 HIS A 124 1.362 17.025 13.211 1.00 4.66 H new ATOM 0 HE2 HIS A 124 -0.878 15.802 13.448 1.00 3.82 H new ATOM 1892 N GLY A 125 0.279 10.880 12.718 1.00 0.18 N ATOM 1893 CA GLY A 125 -0.881 9.943 12.718 1.00 0.40 C ATOM 1894 C GLY A 125 -2.005 10.546 13.563 1.00 0.32 C ATOM 1895 O GLY A 125 -1.844 11.581 14.171 1.00 0.30 O ATOM 0 H GLY A 125 0.313 11.522 13.510 1.00 0.18 H new ATOM 0 HA2 GLY A 125 -1.227 9.771 11.699 1.00 0.40 H new ATOM 0 HA3 GLY A 125 -0.584 8.975 13.122 1.00 0.40 H new ATOM 1899 N LYS A 126 -3.140 9.908 13.603 1.00 0.28 N ATOM 1900 CA LYS A 126 -4.276 10.436 14.414 1.00 0.21 C ATOM 1901 C LYS A 126 -5.166 9.255 14.831 1.00 0.22 C ATOM 1902 O LYS A 126 -5.432 8.373 14.036 1.00 0.23 O ATOM 1903 CB LYS A 126 -5.092 11.420 13.570 1.00 0.20 C ATOM 1904 CG LYS A 126 -6.346 11.842 14.340 1.00 2.62 C ATOM 1905 CD LYS A 126 -7.113 12.892 13.532 1.00 2.44 C ATOM 1906 CE LYS A 126 -6.389 14.237 13.628 1.00 2.49 C ATOM 1907 NZ LYS A 126 -7.345 15.342 13.337 1.00 2.48 N ATOM 0 H LYS A 126 -3.333 9.038 13.107 1.00 0.28 H new ATOM 0 HA LYS A 126 -3.899 10.951 15.298 1.00 0.21 H new ATOM 0 HB2 LYS A 126 -4.489 12.296 13.330 1.00 0.20 H new ATOM 0 HB3 LYS A 126 -5.373 10.957 12.624 1.00 0.20 H new ATOM 0 HG2 LYS A 126 -6.981 10.975 14.525 1.00 2.62 H new ATOM 0 HG3 LYS A 126 -6.069 12.248 15.313 1.00 2.62 H new ATOM 0 HD2 LYS A 126 -7.189 12.581 12.490 1.00 2.44 H new ATOM 0 HD3 LYS A 126 -8.131 12.987 13.911 1.00 2.44 H new ATOM 0 HE2 LYS A 126 -5.965 14.363 14.624 1.00 2.49 H new ATOM 0 HE3 LYS A 126 -5.559 14.266 12.922 1.00 2.49 H new ATOM 0 HZ1 LYS A 126 -6.851 16.255 13.403 1.00 2.48 H new ATOM 0 HZ2 LYS A 126 -7.730 15.225 12.378 1.00 2.48 H new ATOM 0 HZ3 LYS A 126 -8.123 15.319 14.027 1.00 2.48 H new ATOM 1921 N ILE A 127 -5.646 9.217 16.049 1.00 0.24 N ATOM 1922 CA ILE A 127 -6.522 8.074 16.453 1.00 0.28 C ATOM 1923 C ILE A 127 -7.974 8.546 16.553 1.00 0.30 C ATOM 1924 O ILE A 127 -8.258 9.627 17.030 1.00 0.31 O ATOM 1925 CB ILE A 127 -6.092 7.516 17.809 1.00 0.29 C ATOM 1926 CG1 ILE A 127 -4.791 6.726 17.663 1.00 0.32 C ATOM 1927 CG2 ILE A 127 -7.179 6.573 18.322 1.00 0.26 C ATOM 1928 CD1 ILE A 127 -4.237 6.410 19.054 1.00 0.25 C ATOM 0 H ILE A 127 -5.473 9.916 16.771 1.00 0.24 H new ATOM 0 HA ILE A 127 -6.432 7.292 15.699 1.00 0.28 H new ATOM 0 HB ILE A 127 -5.939 8.342 18.504 1.00 0.29 H new ATOM 0 HG12 ILE A 127 -4.972 5.803 17.112 1.00 0.32 H new ATOM 0 HG13 ILE A 127 -4.064 7.302 17.091 1.00 0.32 H new ATOM 0 HG21 ILE A 127 -6.883 6.168 19.290 1.00 0.26 H new ATOM 0 HG22 ILE A 127 -8.115 7.121 18.429 1.00 0.26 H new ATOM 0 HG23 ILE A 127 -7.316 5.756 17.614 1.00 0.26 H new ATOM 0 HD11 ILE A 127 -3.309 5.847 18.957 1.00 0.25 H new ATOM 0 HD12 ILE A 127 -4.043 7.340 19.588 1.00 0.25 H new ATOM 0 HD13 ILE A 127 -4.964 5.818 19.609 1.00 0.25 H new ATOM 1940 N ARG A 128 -8.895 7.734 16.114 1.00 0.32 N ATOM 1941 CA ARG A 128 -10.332 8.114 16.188 1.00 0.35 C ATOM 1942 C ARG A 128 -11.127 6.942 16.772 1.00 0.43 C ATOM 1943 O ARG A 128 -10.591 5.879 17.010 1.00 0.50 O ATOM 1944 CB ARG A 128 -10.846 8.440 14.785 1.00 0.28 C ATOM 1945 CG ARG A 128 -10.654 9.934 14.518 1.00 0.23 C ATOM 1946 CD ARG A 128 -11.426 10.335 13.266 1.00 0.45 C ATOM 1947 NE ARG A 128 -10.591 11.258 12.446 1.00 0.74 N ATOM 1948 CZ ARG A 128 -11.048 11.725 11.317 1.00 1.32 C ATOM 1949 NH1 ARG A 128 -11.769 10.965 10.539 1.00 1.31 N ATOM 1950 NH2 ARG A 128 -10.783 12.953 10.966 1.00 2.02 N ATOM 0 H ARG A 128 -8.712 6.818 15.705 1.00 0.32 H new ATOM 0 HA ARG A 128 -10.452 8.991 16.824 1.00 0.35 H new ATOM 0 HB2 ARG A 128 -10.308 7.853 14.041 1.00 0.28 H new ATOM 0 HB3 ARG A 128 -11.900 8.175 14.699 1.00 0.28 H new ATOM 0 HG2 ARG A 128 -11.002 10.514 15.373 1.00 0.23 H new ATOM 0 HG3 ARG A 128 -9.595 10.158 14.391 1.00 0.23 H new ATOM 0 HD2 ARG A 128 -11.686 9.449 12.686 1.00 0.45 H new ATOM 0 HD3 ARG A 128 -12.362 10.821 13.542 1.00 0.45 H new ATOM 0 HE ARG A 128 -9.661 11.525 12.768 1.00 0.74 H new ATOM 0 HH11 ARG A 128 -11.976 10.005 10.813 1.00 1.31 H new ATOM 0 HH12 ARG A 128 -12.126 11.331 9.656 1.00 1.31 H new ATOM 0 HH21 ARG A 128 -10.219 13.547 11.574 1.00 2.02 H new ATOM 0 HH22 ARG A 128 -11.140 13.319 10.083 1.00 2.02 H new ATOM 1964 N ASP A 129 -12.396 7.122 17.009 1.00 0.44 N ATOM 1965 CA ASP A 129 -13.207 6.008 17.583 1.00 0.52 C ATOM 1966 C ASP A 129 -14.026 5.342 16.475 1.00 0.49 C ATOM 1967 O ASP A 129 -13.486 5.156 15.397 1.00 1.19 O ATOM 1968 CB ASP A 129 -14.150 6.562 18.652 1.00 0.59 C ATOM 1969 CG ASP A 129 -14.645 5.417 19.538 1.00 0.96 C ATOM 1970 OD1 ASP A 129 -14.428 4.274 19.170 1.00 2.57 O ATOM 1971 OD2 ASP A 129 -15.232 5.702 20.570 1.00 0.44 O ATOM 1972 OXT ASP A 129 -15.179 5.031 16.724 1.00 0.55 O ATOM 0 H ASP A 129 -12.906 7.987 16.832 1.00 0.44 H new ATOM 0 HA ASP A 129 -12.541 5.271 18.031 1.00 0.52 H new ATOM 0 HB2 ASP A 129 -13.633 7.307 19.257 1.00 0.59 H new ATOM 0 HB3 ASP A 129 -14.996 7.064 18.182 1.00 0.59 H new