USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 840 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 80 THR OG1 : rot 180:sc= 0.283 USER MOD Set 1.2: A 85 THR OG1 : rot -80:sc= 0.3 USER MOD Set 2.1: A 21 ASN : amide:sc= -1.7! K(o=-1.8!,f=1) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00701) USER MOD Single : A 10 GLN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 17 GLN : amide:sc= -2.59 K(o=-2.6,f=-0.49) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 46 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-1.4) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc=-0.000268 (180deg=-0.0317) USER MOD Single : A 53 GLN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.377 K(o=0.38,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0.144 (180deg=0.138) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 38:sc= 0.336 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.742 X(o=-0.74,f=-1.1) USER MOD Single : A 74 THR OG1 : rot -95:sc= 0.095 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 26:sc= 0.149 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 149:sc= 0.387 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 21:sc= 0.474 USER MOD Single : A 100 THR OG1 : rot 150:sc= -0.141 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 8.208 -14.931 -5.154 1.00 72.20 N ATOM 38 CA ASP A 3 8.759 -13.557 -5.228 1.00 54.01 C ATOM 39 C ASP A 3 8.020 -12.615 -4.251 1.00 50.34 C ATOM 40 O ASP A 3 6.914 -12.139 -4.530 1.00 60.34 O ATOM 41 CB ASP A 3 8.755 -12.978 -6.680 1.00 31.14 C ATOM 42 CG ASP A 3 9.662 -11.728 -6.892 1.00 52.25 C ATOM 43 OD1 ASP A 3 10.047 -11.477 -8.051 1.00 41.25 O ATOM 44 OD2 ASP A 3 9.995 -10.997 -5.923 1.00 55.04 O ATOM 0 HA ASP A 3 9.804 -13.622 -4.926 1.00 54.01 H new ATOM 0 HB2 ASP A 3 9.074 -13.761 -7.368 1.00 31.14 H new ATOM 0 HB3 ASP A 3 7.732 -12.716 -6.948 1.00 31.14 H new ATOM 49 N ILE A 4 8.670 -12.348 -3.122 1.00 12.44 N ATOM 50 CA ILE A 4 8.149 -11.494 -2.048 1.00 23.14 C ATOM 51 C ILE A 4 8.255 -9.999 -2.426 1.00 71.23 C ATOM 52 O ILE A 4 7.338 -9.224 -2.145 1.00 13.01 O ATOM 53 CB ILE A 4 8.940 -11.769 -0.714 1.00 31.12 C ATOM 54 CG1 ILE A 4 8.806 -13.271 -0.275 1.00 23.22 C ATOM 55 CG2 ILE A 4 8.513 -10.812 0.424 1.00 11.33 C ATOM 56 CD1 ILE A 4 7.388 -13.751 0.031 1.00 11.32 C ATOM 0 H ILE A 4 9.595 -12.726 -2.919 1.00 12.44 H new ATOM 0 HA ILE A 4 7.096 -11.734 -1.901 1.00 23.14 H new ATOM 0 HB ILE A 4 9.992 -11.570 -0.919 1.00 31.12 H new ATOM 0 HG12 ILE A 4 9.219 -13.899 -1.064 1.00 23.22 H new ATOM 0 HG13 ILE A 4 9.421 -13.427 0.611 1.00 23.22 H new ATOM 0 HG21 ILE A 4 9.085 -11.039 1.324 1.00 11.33 H new ATOM 0 HG22 ILE A 4 8.703 -9.782 0.123 1.00 11.33 H new ATOM 0 HG23 ILE A 4 7.450 -10.940 0.628 1.00 11.33 H new ATOM 0 HD11 ILE A 4 7.414 -14.801 0.323 1.00 11.32 H new ATOM 0 HD12 ILE A 4 6.971 -13.158 0.845 1.00 11.32 H new ATOM 0 HD13 ILE A 4 6.766 -13.637 -0.857 1.00 11.32 H new ATOM 68 N VAL A 5 9.378 -9.617 -3.075 1.00 63.13 N ATOM 69 CA VAL A 5 9.708 -8.200 -3.351 1.00 20.13 C ATOM 70 C VAL A 5 8.724 -7.593 -4.364 1.00 54.14 C ATOM 71 O VAL A 5 8.195 -6.492 -4.142 1.00 72.54 O ATOM 72 CB VAL A 5 11.172 -8.012 -3.898 1.00 41.03 C ATOM 73 CG1 VAL A 5 11.557 -6.516 -3.971 1.00 5.52 C ATOM 74 CG2 VAL A 5 12.186 -8.799 -3.059 1.00 0.12 C ATOM 0 H VAL A 5 10.076 -10.276 -3.420 1.00 63.13 H new ATOM 0 HA VAL A 5 9.630 -7.684 -2.394 1.00 20.13 H new ATOM 0 HB VAL A 5 11.196 -8.412 -4.912 1.00 41.03 H new ATOM 0 HG11 VAL A 5 12.574 -6.420 -4.352 1.00 5.52 H new ATOM 0 HG12 VAL A 5 10.869 -5.995 -4.637 1.00 5.52 H new ATOM 0 HG13 VAL A 5 11.500 -6.077 -2.975 1.00 5.52 H new ATOM 0 HG21 VAL A 5 13.187 -8.648 -3.463 1.00 0.12 H new ATOM 0 HG22 VAL A 5 12.154 -8.449 -2.027 1.00 0.12 H new ATOM 0 HG23 VAL A 5 11.938 -9.860 -3.090 1.00 0.12 H new ATOM 84 N GLU A 6 8.500 -8.325 -5.474 1.00 3.44 N ATOM 85 CA GLU A 6 7.575 -7.905 -6.535 1.00 32.31 C ATOM 86 C GLU A 6 6.152 -7.768 -5.978 1.00 30.12 C ATOM 87 O GLU A 6 5.443 -6.813 -6.300 1.00 22.42 O ATOM 88 CB GLU A 6 7.596 -8.899 -7.717 1.00 72.42 C ATOM 89 CG GLU A 6 6.705 -8.476 -8.897 1.00 33.02 C ATOM 90 CD GLU A 6 6.667 -9.508 -10.023 1.00 31.21 C ATOM 91 OE1 GLU A 6 7.569 -9.494 -10.891 1.00 51.03 O ATOM 92 OE2 GLU A 6 5.732 -10.339 -10.051 1.00 53.21 O ATOM 0 H GLU A 6 8.955 -9.220 -5.656 1.00 3.44 H new ATOM 0 HA GLU A 6 7.904 -6.934 -6.905 1.00 32.31 H new ATOM 0 HB2 GLU A 6 8.622 -9.009 -8.069 1.00 72.42 H new ATOM 0 HB3 GLU A 6 7.274 -9.878 -7.363 1.00 72.42 H new ATOM 0 HG2 GLU A 6 5.691 -8.305 -8.535 1.00 33.02 H new ATOM 0 HG3 GLU A 6 7.066 -7.527 -9.294 1.00 33.02 H new ATOM 99 N ALA A 7 5.779 -8.721 -5.110 1.00 32.20 N ATOM 100 CA ALA A 7 4.485 -8.716 -4.414 1.00 1.14 C ATOM 101 C ALA A 7 4.331 -7.464 -3.542 1.00 1.55 C ATOM 102 O ALA A 7 3.309 -6.797 -3.596 1.00 61.22 O ATOM 103 CB ALA A 7 4.341 -9.969 -3.561 1.00 13.25 C ATOM 0 H ALA A 7 6.369 -9.518 -4.871 1.00 32.20 H new ATOM 0 HA ALA A 7 3.697 -8.705 -5.167 1.00 1.14 H new ATOM 0 HB1 ALA A 7 3.378 -9.953 -3.051 1.00 13.25 H new ATOM 0 HB2 ALA A 7 4.399 -10.852 -4.198 1.00 13.25 H new ATOM 0 HB3 ALA A 7 5.142 -10.001 -2.823 1.00 13.25 H new ATOM 109 N ALA A 8 5.379 -7.149 -2.777 1.00 73.21 N ATOM 110 CA ALA A 8 5.395 -6.000 -1.855 1.00 34.22 C ATOM 111 C ALA A 8 5.303 -4.660 -2.615 1.00 31.31 C ATOM 112 O ALA A 8 4.675 -3.713 -2.143 1.00 11.24 O ATOM 113 CB ALA A 8 6.667 -6.050 -1.003 1.00 34.23 C ATOM 0 H ALA A 8 6.247 -7.684 -2.776 1.00 73.21 H new ATOM 0 HA ALA A 8 4.520 -6.064 -1.208 1.00 34.22 H new ATOM 0 HB1 ALA A 8 6.681 -5.201 -0.320 1.00 34.23 H new ATOM 0 HB2 ALA A 8 6.685 -6.977 -0.430 1.00 34.23 H new ATOM 0 HB3 ALA A 8 7.542 -6.008 -1.652 1.00 34.23 H new ATOM 119 N LYS A 9 5.928 -4.616 -3.800 1.00 51.33 N ATOM 120 CA LYS A 9 5.980 -3.417 -4.655 1.00 54.41 C ATOM 121 C LYS A 9 4.605 -3.158 -5.310 1.00 62.23 C ATOM 122 O LYS A 9 4.084 -2.035 -5.263 1.00 72.05 O ATOM 123 CB LYS A 9 7.088 -3.606 -5.725 1.00 23.50 C ATOM 124 CG LYS A 9 7.321 -2.393 -6.651 1.00 14.03 C ATOM 125 CD LYS A 9 8.418 -2.664 -7.704 1.00 21.24 C ATOM 126 CE LYS A 9 8.650 -1.484 -8.657 1.00 0.11 C ATOM 127 NZ LYS A 9 9.196 -0.299 -7.954 1.00 42.00 N ATOM 0 H LYS A 9 6.417 -5.418 -4.198 1.00 51.33 H new ATOM 0 HA LYS A 9 6.220 -2.544 -4.049 1.00 54.41 H new ATOM 0 HB2 LYS A 9 8.024 -3.841 -5.218 1.00 23.50 H new ATOM 0 HB3 LYS A 9 6.833 -4.469 -6.340 1.00 23.50 H new ATOM 0 HG2 LYS A 9 6.389 -2.140 -7.157 1.00 14.03 H new ATOM 0 HG3 LYS A 9 7.602 -1.528 -6.050 1.00 14.03 H new ATOM 0 HD2 LYS A 9 9.352 -2.898 -7.193 1.00 21.24 H new ATOM 0 HD3 LYS A 9 8.144 -3.544 -8.286 1.00 21.24 H new ATOM 0 HE2 LYS A 9 9.338 -1.786 -9.446 1.00 0.11 H new ATOM 0 HE3 LYS A 9 7.709 -1.218 -9.139 1.00 0.11 H new ATOM 0 HZ1 LYS A 9 9.385 0.457 -8.643 1.00 42.00 H new ATOM 0 HZ2 LYS A 9 8.506 0.037 -7.252 1.00 42.00 H new ATOM 0 HZ3 LYS A 9 10.081 -0.558 -7.473 1.00 42.00 H new ATOM 141 N GLN A 10 4.028 -4.223 -5.902 1.00 35.21 N ATOM 142 CA GLN A 10 2.687 -4.197 -6.531 1.00 12.23 C ATOM 143 C GLN A 10 1.606 -3.847 -5.502 1.00 11.23 C ATOM 144 O GLN A 10 0.700 -3.049 -5.781 1.00 54.43 O ATOM 145 CB GLN A 10 2.371 -5.580 -7.173 1.00 31.10 C ATOM 146 CG GLN A 10 3.201 -5.905 -8.427 1.00 71.32 C ATOM 147 CD GLN A 10 2.850 -5.051 -9.654 1.00 65.32 C ATOM 148 OE1 GLN A 10 3.720 -4.706 -10.448 1.00 52.43 O ATOM 149 NE2 GLN A 10 1.569 -4.763 -9.855 1.00 14.25 N ATOM 0 H GLN A 10 4.482 -5.135 -5.959 1.00 35.21 H new ATOM 0 HA GLN A 10 2.690 -3.430 -7.305 1.00 12.23 H new ATOM 0 HB2 GLN A 10 2.539 -6.359 -6.429 1.00 31.10 H new ATOM 0 HB3 GLN A 10 1.313 -5.612 -7.434 1.00 31.10 H new ATOM 0 HG2 GLN A 10 4.257 -5.770 -8.195 1.00 71.32 H new ATOM 0 HG3 GLN A 10 3.062 -6.956 -8.678 1.00 71.32 H new ATOM 0 HE21 GLN A 10 0.867 -5.062 -9.178 1.00 14.25 H new ATOM 0 HE22 GLN A 10 1.288 -4.243 -10.686 1.00 14.25 H new ATOM 158 N ALA A 11 1.733 -4.454 -4.316 1.00 3.40 N ATOM 159 CA ALA A 11 0.796 -4.277 -3.208 1.00 41.34 C ATOM 160 C ALA A 11 0.824 -2.844 -2.683 1.00 22.34 C ATOM 161 O ALA A 11 -0.229 -2.269 -2.430 1.00 15.11 O ATOM 162 CB ALA A 11 1.113 -5.267 -2.086 1.00 32.02 C ATOM 0 H ALA A 11 2.501 -5.090 -4.099 1.00 3.40 H new ATOM 0 HA ALA A 11 -0.210 -4.475 -3.579 1.00 41.34 H new ATOM 0 HB1 ALA A 11 0.409 -5.126 -1.266 1.00 32.02 H new ATOM 0 HB2 ALA A 11 1.029 -6.286 -2.465 1.00 32.02 H new ATOM 0 HB3 ALA A 11 2.128 -5.096 -1.726 1.00 32.02 H new ATOM 168 N ALA A 12 2.041 -2.282 -2.550 1.00 4.24 N ATOM 169 CA ALA A 12 2.246 -0.903 -2.069 1.00 53.14 C ATOM 170 C ALA A 12 1.456 0.111 -2.916 1.00 15.22 C ATOM 171 O ALA A 12 0.675 0.906 -2.379 1.00 12.14 O ATOM 172 CB ALA A 12 3.737 -0.551 -2.056 1.00 1.13 C ATOM 0 H ALA A 12 2.908 -2.771 -2.773 1.00 4.24 H new ATOM 0 HA ALA A 12 1.868 -0.848 -1.048 1.00 53.14 H new ATOM 0 HB1 ALA A 12 3.867 0.470 -1.698 1.00 1.13 H new ATOM 0 HB2 ALA A 12 4.267 -1.237 -1.395 1.00 1.13 H new ATOM 0 HB3 ALA A 12 4.140 -0.636 -3.065 1.00 1.13 H new ATOM 178 N ILE A 13 1.635 0.016 -4.248 1.00 33.53 N ATOM 179 CA ILE A 13 0.939 0.873 -5.227 1.00 61.15 C ATOM 180 C ILE A 13 -0.592 0.660 -5.134 1.00 70.35 C ATOM 181 O ILE A 13 -1.358 1.625 -5.067 1.00 5.32 O ATOM 182 CB ILE A 13 1.419 0.567 -6.702 1.00 21.14 C ATOM 183 CG1 ILE A 13 2.976 0.636 -6.828 1.00 4.21 C ATOM 184 CG2 ILE A 13 0.753 1.530 -7.718 1.00 43.31 C ATOM 185 CD1 ILE A 13 3.515 0.195 -8.182 1.00 13.00 C ATOM 0 H ILE A 13 2.268 -0.659 -4.676 1.00 33.53 H new ATOM 0 HA ILE A 13 1.181 1.909 -4.989 1.00 61.15 H new ATOM 0 HB ILE A 13 1.108 -0.451 -6.935 1.00 21.14 H new ATOM 0 HG12 ILE A 13 3.299 1.659 -6.637 1.00 4.21 H new ATOM 0 HG13 ILE A 13 3.420 0.012 -6.052 1.00 4.21 H new ATOM 0 HG21 ILE A 13 1.102 1.296 -8.724 1.00 43.31 H new ATOM 0 HG22 ILE A 13 -0.330 1.414 -7.673 1.00 43.31 H new ATOM 0 HG23 ILE A 13 1.018 2.558 -7.472 1.00 43.31 H new ATOM 0 HD11 ILE A 13 4.602 0.274 -8.184 1.00 13.00 H new ATOM 0 HD12 ILE A 13 3.226 -0.839 -8.370 1.00 13.00 H new ATOM 0 HD13 ILE A 13 3.104 0.834 -8.963 1.00 13.00 H new ATOM 197 N ALA A 14 -1.001 -0.623 -5.094 1.00 25.35 N ATOM 198 CA ALA A 14 -2.423 -1.045 -5.123 1.00 74.24 C ATOM 199 C ALA A 14 -3.222 -0.554 -3.904 1.00 63.51 C ATOM 200 O ALA A 14 -4.420 -0.261 -4.014 1.00 15.25 O ATOM 201 CB ALA A 14 -2.509 -2.563 -5.226 1.00 61.42 C ATOM 0 H ALA A 14 -0.350 -1.407 -5.040 1.00 25.35 H new ATOM 0 HA ALA A 14 -2.874 -0.582 -6.001 1.00 74.24 H new ATOM 0 HB1 ALA A 14 -3.555 -2.868 -5.247 1.00 61.42 H new ATOM 0 HB2 ALA A 14 -2.016 -2.894 -6.140 1.00 61.42 H new ATOM 0 HB3 ALA A 14 -2.017 -3.015 -4.365 1.00 61.42 H new ATOM 207 N ILE A 15 -2.539 -0.485 -2.752 1.00 22.41 N ATOM 208 CA ILE A 15 -3.106 0.023 -1.494 1.00 15.02 C ATOM 209 C ILE A 15 -3.499 1.511 -1.648 1.00 12.43 C ATOM 210 O ILE A 15 -4.599 1.916 -1.246 1.00 65.14 O ATOM 211 CB ILE A 15 -2.093 -0.217 -0.294 1.00 72.42 C ATOM 212 CG1 ILE A 15 -2.034 -1.746 0.063 1.00 54.52 C ATOM 213 CG2 ILE A 15 -2.434 0.629 0.954 1.00 72.12 C ATOM 214 CD1 ILE A 15 -1.048 -2.128 1.155 1.00 32.44 C ATOM 0 H ILE A 15 -1.567 -0.783 -2.667 1.00 22.41 H new ATOM 0 HA ILE A 15 -4.016 -0.528 -1.258 1.00 15.02 H new ATOM 0 HB ILE A 15 -1.109 0.112 -0.629 1.00 72.42 H new ATOM 0 HG12 ILE A 15 -3.030 -2.068 0.368 1.00 54.52 H new ATOM 0 HG13 ILE A 15 -1.782 -2.302 -0.840 1.00 54.52 H new ATOM 0 HG21 ILE A 15 -1.709 0.424 1.742 1.00 72.12 H new ATOM 0 HG22 ILE A 15 -2.400 1.688 0.696 1.00 72.12 H new ATOM 0 HG23 ILE A 15 -3.433 0.373 1.305 1.00 72.12 H new ATOM 0 HD11 ILE A 15 -1.089 -3.204 1.322 1.00 32.44 H new ATOM 0 HD12 ILE A 15 -0.040 -1.846 0.850 1.00 32.44 H new ATOM 0 HD13 ILE A 15 -1.307 -1.608 2.077 1.00 32.44 H new ATOM 226 N PHE A 16 -2.622 2.299 -2.290 1.00 52.32 N ATOM 227 CA PHE A 16 -2.884 3.732 -2.555 1.00 14.45 C ATOM 228 C PHE A 16 -3.937 3.916 -3.655 1.00 54.23 C ATOM 229 O PHE A 16 -4.718 4.873 -3.612 1.00 23.12 O ATOM 230 CB PHE A 16 -1.581 4.470 -2.941 1.00 55.25 C ATOM 231 CG PHE A 16 -0.512 4.405 -1.859 1.00 10.21 C ATOM 232 CD1 PHE A 16 -0.799 4.801 -0.553 1.00 12.32 C ATOM 233 CD2 PHE A 16 0.770 3.951 -2.141 1.00 45.31 C ATOM 234 CE1 PHE A 16 0.164 4.741 0.431 1.00 0.43 C ATOM 235 CE2 PHE A 16 1.730 3.890 -1.158 1.00 45.14 C ATOM 236 CZ PHE A 16 1.425 4.286 0.127 1.00 3.15 C ATOM 0 H PHE A 16 -1.721 1.971 -2.638 1.00 52.32 H new ATOM 0 HA PHE A 16 -3.273 4.165 -1.634 1.00 14.45 H new ATOM 0 HB2 PHE A 16 -1.185 4.038 -3.860 1.00 55.25 H new ATOM 0 HB3 PHE A 16 -1.811 5.514 -3.153 1.00 55.25 H new ATOM 0 HD1 PHE A 16 -1.788 5.159 -0.310 1.00 12.32 H new ATOM 0 HD2 PHE A 16 1.016 3.642 -3.146 1.00 45.31 H new ATOM 0 HE1 PHE A 16 -0.071 5.051 1.438 1.00 0.43 H new ATOM 0 HE2 PHE A 16 2.722 3.532 -1.392 1.00 45.14 H new ATOM 0 HZ PHE A 16 2.180 4.239 0.898 1.00 3.15 H new ATOM 246 N GLN A 17 -3.949 2.985 -4.631 1.00 52.43 N ATOM 247 CA GLN A 17 -4.906 3.008 -5.755 1.00 13.22 C ATOM 248 C GLN A 17 -6.351 2.854 -5.254 1.00 55.42 C ATOM 249 O GLN A 17 -7.261 3.509 -5.772 1.00 30.22 O ATOM 250 CB GLN A 17 -4.565 1.926 -6.820 1.00 43.31 C ATOM 251 CG GLN A 17 -3.273 2.208 -7.615 1.00 75.31 C ATOM 252 CD GLN A 17 -2.961 1.132 -8.661 1.00 75.52 C ATOM 253 OE1 GLN A 17 -3.396 1.220 -9.802 1.00 52.04 O ATOM 254 NE2 GLN A 17 -2.204 0.118 -8.281 1.00 51.13 N ATOM 0 H GLN A 17 -3.299 2.200 -4.662 1.00 52.43 H new ATOM 0 HA GLN A 17 -4.819 3.981 -6.238 1.00 13.22 H new ATOM 0 HB2 GLN A 17 -4.469 0.960 -6.323 1.00 43.31 H new ATOM 0 HB3 GLN A 17 -5.398 1.844 -7.518 1.00 43.31 H new ATOM 0 HG2 GLN A 17 -3.364 3.174 -8.112 1.00 75.31 H new ATOM 0 HG3 GLN A 17 -2.436 2.284 -6.921 1.00 75.31 H new ATOM 0 HE21 GLN A 17 -1.856 0.072 -7.323 1.00 51.13 H new ATOM 0 HE22 GLN A 17 -1.967 -0.619 -8.945 1.00 51.13 H new ATOM 263 N LEU A 18 -6.532 2.006 -4.227 1.00 52.23 N ATOM 264 CA LEU A 18 -7.831 1.818 -3.560 1.00 74.40 C ATOM 265 C LEU A 18 -8.161 3.005 -2.643 1.00 63.15 C ATOM 266 O LEU A 18 -9.313 3.407 -2.558 1.00 12.34 O ATOM 267 CB LEU A 18 -7.856 0.503 -2.750 1.00 11.23 C ATOM 268 CG LEU A 18 -7.739 -0.811 -3.572 1.00 21.32 C ATOM 269 CD1 LEU A 18 -7.708 -2.034 -2.634 1.00 31.22 C ATOM 270 CD2 LEU A 18 -8.874 -0.922 -4.621 1.00 23.14 C ATOM 0 H LEU A 18 -5.784 1.433 -3.837 1.00 52.23 H new ATOM 0 HA LEU A 18 -8.591 1.761 -4.340 1.00 74.40 H new ATOM 0 HB2 LEU A 18 -7.040 0.530 -2.028 1.00 11.23 H new ATOM 0 HB3 LEU A 18 -8.784 0.469 -2.180 1.00 11.23 H new ATOM 0 HG LEU A 18 -6.798 -0.788 -4.122 1.00 21.32 H new ATOM 0 HD11 LEU A 18 -7.626 -2.945 -3.227 1.00 31.22 H new ATOM 0 HD12 LEU A 18 -6.851 -1.958 -1.965 1.00 31.22 H new ATOM 0 HD13 LEU A 18 -8.625 -2.065 -2.046 1.00 31.22 H new ATOM 0 HD21 LEU A 18 -8.764 -1.852 -5.179 1.00 23.14 H new ATOM 0 HD22 LEU A 18 -9.839 -0.915 -4.115 1.00 23.14 H new ATOM 0 HD23 LEU A 18 -8.818 -0.078 -5.308 1.00 23.14 H new ATOM 282 N TRP A 19 -7.143 3.559 -1.971 1.00 62.51 N ATOM 283 CA TRP A 19 -7.328 4.679 -1.022 1.00 71.43 C ATOM 284 C TRP A 19 -7.857 5.963 -1.707 1.00 45.01 C ATOM 285 O TRP A 19 -8.549 6.771 -1.065 1.00 43.10 O ATOM 286 CB TRP A 19 -6.022 4.955 -0.224 1.00 21.32 C ATOM 287 CG TRP A 19 -5.732 3.979 0.888 1.00 72.42 C ATOM 288 CD1 TRP A 19 -6.510 2.941 1.294 1.00 33.24 C ATOM 289 CD2 TRP A 19 -4.599 3.983 1.760 1.00 24.42 C ATOM 290 NE1 TRP A 19 -5.923 2.287 2.341 1.00 24.22 N ATOM 291 CE2 TRP A 19 -4.754 2.908 2.651 1.00 42.31 C ATOM 292 CE3 TRP A 19 -3.465 4.781 1.869 1.00 42.04 C ATOM 293 CZ2 TRP A 19 -3.823 2.614 3.640 1.00 70.25 C ATOM 294 CZ3 TRP A 19 -2.543 4.491 2.851 1.00 12.51 C ATOM 295 CH2 TRP A 19 -2.726 3.415 3.725 1.00 1.02 C ATOM 0 H TRP A 19 -6.175 3.251 -2.064 1.00 62.51 H new ATOM 0 HA TRP A 19 -8.099 4.370 -0.316 1.00 71.43 H new ATOM 0 HB2 TRP A 19 -5.182 4.950 -0.919 1.00 21.32 H new ATOM 0 HB3 TRP A 19 -6.079 5.958 0.200 1.00 21.32 H new ATOM 0 HD1 TRP A 19 -7.458 2.671 0.852 1.00 33.24 H new ATOM 0 HE1 TRP A 19 -6.301 1.466 2.813 1.00 24.22 H new ATOM 0 HE3 TRP A 19 -3.310 5.612 1.197 1.00 42.04 H new ATOM 0 HZ2 TRP A 19 -3.964 1.783 4.315 1.00 70.25 H new ATOM 0 HZ3 TRP A 19 -1.661 5.107 2.948 1.00 12.51 H new ATOM 0 HH2 TRP A 19 -1.982 3.216 4.482 1.00 1.02 H new ATOM 306 N LYS A 20 -7.524 6.155 -3.000 1.00 11.13 N ATOM 307 CA LYS A 20 -8.034 7.297 -3.802 1.00 0.35 C ATOM 308 C LYS A 20 -9.183 6.863 -4.744 1.00 65.10 C ATOM 309 O LYS A 20 -9.905 7.717 -5.278 1.00 23.22 O ATOM 310 CB LYS A 20 -6.853 7.995 -4.562 1.00 63.04 C ATOM 311 CG LYS A 20 -5.996 7.100 -5.499 1.00 13.41 C ATOM 312 CD LYS A 20 -6.590 6.913 -6.912 1.00 73.14 C ATOM 313 CE LYS A 20 -5.737 6.001 -7.796 1.00 74.03 C ATOM 314 NZ LYS A 20 -6.282 5.886 -9.174 1.00 73.10 N ATOM 0 H LYS A 20 -6.902 5.534 -3.517 1.00 11.13 H new ATOM 0 HA LYS A 20 -8.466 8.035 -3.126 1.00 0.35 H new ATOM 0 HB2 LYS A 20 -7.266 8.810 -5.156 1.00 63.04 H new ATOM 0 HB3 LYS A 20 -6.191 8.444 -3.822 1.00 63.04 H new ATOM 0 HG2 LYS A 20 -5.001 7.536 -5.590 1.00 13.41 H new ATOM 0 HG3 LYS A 20 -5.874 6.121 -5.036 1.00 13.41 H new ATOM 0 HD2 LYS A 20 -7.593 6.495 -6.827 1.00 73.14 H new ATOM 0 HD3 LYS A 20 -6.690 7.887 -7.391 1.00 73.14 H new ATOM 0 HE2 LYS A 20 -4.719 6.389 -7.841 1.00 74.03 H new ATOM 0 HE3 LYS A 20 -5.681 5.010 -7.345 1.00 74.03 H new ATOM 0 HZ1 LYS A 20 -5.673 5.259 -9.737 1.00 73.10 H new ATOM 0 HZ2 LYS A 20 -7.243 5.491 -9.135 1.00 73.10 H new ATOM 0 HZ3 LYS A 20 -6.312 6.827 -9.615 1.00 73.10 H new ATOM 328 N ASN A 21 -9.340 5.538 -4.946 1.00 61.43 N ATOM 329 CA ASN A 21 -10.373 4.963 -5.837 1.00 72.42 C ATOM 330 C ASN A 21 -10.663 3.502 -5.397 1.00 31.35 C ATOM 331 O ASN A 21 -10.074 2.553 -5.945 1.00 32.23 O ATOM 332 CB ASN A 21 -9.919 5.032 -7.331 1.00 54.33 C ATOM 333 CG ASN A 21 -11.012 4.626 -8.328 1.00 10.15 C ATOM 334 OD1 ASN A 21 -11.752 5.464 -8.837 1.00 74.32 O ATOM 335 ND2 ASN A 21 -11.138 3.341 -8.589 1.00 21.43 N ATOM 0 H ASN A 21 -8.754 4.835 -4.496 1.00 61.43 H new ATOM 0 HA ASN A 21 -11.291 5.545 -5.756 1.00 72.42 H new ATOM 0 HB2 ASN A 21 -9.594 6.048 -7.556 1.00 54.33 H new ATOM 0 HB3 ASN A 21 -9.055 4.383 -7.469 1.00 54.33 H new ATOM 0 HD21 ASN A 21 -11.865 3.019 -9.229 1.00 21.43 H new ATOM 0 HD22 ASN A 21 -10.509 2.668 -8.152 1.00 21.43 H new ATOM 342 N PRO A 22 -11.569 3.292 -4.375 1.00 21.45 N ATOM 343 CA PRO A 22 -11.894 1.933 -3.835 1.00 51.52 C ATOM 344 C PRO A 22 -12.653 1.050 -4.847 1.00 63.31 C ATOM 345 O PRO A 22 -12.774 -0.171 -4.660 1.00 71.30 O ATOM 346 CB PRO A 22 -12.758 2.247 -2.581 1.00 71.54 C ATOM 347 CG PRO A 22 -13.358 3.598 -2.844 1.00 33.34 C ATOM 348 CD PRO A 22 -12.330 4.360 -3.656 1.00 52.11 C ATOM 0 HA PRO A 22 -10.998 1.354 -3.609 1.00 51.52 H new ATOM 0 HB2 PRO A 22 -13.532 1.493 -2.438 1.00 71.54 H new ATOM 0 HB3 PRO A 22 -12.150 2.256 -1.676 1.00 71.54 H new ATOM 0 HG2 PRO A 22 -14.298 3.508 -3.389 1.00 33.34 H new ATOM 0 HG3 PRO A 22 -13.579 4.115 -1.910 1.00 33.34 H new ATOM 0 HD2 PRO A 22 -12.805 5.050 -4.354 1.00 52.11 H new ATOM 0 HD3 PRO A 22 -11.677 4.953 -3.016 1.00 52.11 H new ATOM 356 N THR A 23 -13.140 1.688 -5.919 1.00 0.42 N ATOM 357 CA THR A 23 -13.910 1.049 -6.980 1.00 3.22 C ATOM 358 C THR A 23 -13.013 0.325 -8.001 1.00 14.22 C ATOM 359 O THR A 23 -13.543 -0.341 -8.895 1.00 74.21 O ATOM 360 CB THR A 23 -14.796 2.118 -7.701 1.00 25.10 C ATOM 361 OG1 THR A 23 -13.969 3.199 -8.159 1.00 74.55 O ATOM 362 CG2 THR A 23 -15.891 2.679 -6.769 1.00 43.44 C ATOM 0 H THR A 23 -13.003 2.687 -6.071 1.00 0.42 H new ATOM 0 HA THR A 23 -14.543 0.291 -6.519 1.00 3.22 H new ATOM 0 HB THR A 23 -15.285 1.629 -8.544 1.00 25.10 H new ATOM 0 HG1 THR A 23 -14.525 3.867 -8.612 1.00 74.55 H new ATOM 0 HG21 THR A 23 -16.484 3.418 -7.308 1.00 43.44 H new ATOM 0 HG22 THR A 23 -16.538 1.867 -6.437 1.00 43.44 H new ATOM 0 HG23 THR A 23 -15.426 3.149 -5.903 1.00 43.44 H new ATOM 370 N ASP A 24 -11.668 0.455 -7.877 1.00 64.22 N ATOM 371 CA ASP A 24 -10.722 -0.209 -8.799 1.00 14.42 C ATOM 372 C ASP A 24 -10.646 -1.719 -8.472 1.00 55.14 C ATOM 373 O ASP A 24 -10.141 -2.089 -7.405 1.00 74.44 O ATOM 374 CB ASP A 24 -9.301 0.424 -8.745 1.00 41.31 C ATOM 375 CG ASP A 24 -8.428 0.003 -9.954 1.00 14.51 C ATOM 376 OD1 ASP A 24 -7.910 -1.133 -9.980 1.00 51.22 O ATOM 377 OD2 ASP A 24 -8.274 0.809 -10.904 1.00 10.14 O ATOM 0 H ASP A 24 -11.219 1.012 -7.150 1.00 64.22 H new ATOM 0 HA ASP A 24 -11.098 -0.069 -9.813 1.00 14.42 H new ATOM 0 HB2 ASP A 24 -9.389 1.510 -8.723 1.00 41.31 H new ATOM 0 HB3 ASP A 24 -8.807 0.126 -7.820 1.00 41.31 H new ATOM 382 N PRO A 25 -11.139 -2.617 -9.385 1.00 55.32 N ATOM 383 CA PRO A 25 -11.189 -4.069 -9.125 1.00 45.22 C ATOM 384 C PRO A 25 -9.803 -4.745 -9.206 1.00 13.13 C ATOM 385 O PRO A 25 -9.527 -5.664 -8.444 1.00 25.15 O ATOM 386 CB PRO A 25 -12.145 -4.587 -10.228 1.00 34.34 C ATOM 387 CG PRO A 25 -11.943 -3.642 -11.368 1.00 0.22 C ATOM 388 CD PRO A 25 -11.695 -2.291 -10.734 1.00 11.14 C ATOM 0 HA PRO A 25 -11.527 -4.296 -8.114 1.00 45.22 H new ATOM 0 HB2 PRO A 25 -11.905 -5.611 -10.513 1.00 34.34 H new ATOM 0 HB3 PRO A 25 -13.181 -4.585 -9.889 1.00 34.34 H new ATOM 0 HG2 PRO A 25 -11.098 -3.947 -11.985 1.00 0.22 H new ATOM 0 HG3 PRO A 25 -12.819 -3.616 -12.016 1.00 0.22 H new ATOM 0 HD2 PRO A 25 -10.994 -1.698 -11.321 1.00 11.14 H new ATOM 0 HD3 PRO A 25 -12.615 -1.712 -10.656 1.00 11.14 H new ATOM 396 N GLU A 26 -8.932 -4.249 -10.108 1.00 74.11 N ATOM 397 CA GLU A 26 -7.648 -4.906 -10.428 1.00 34.23 C ATOM 398 C GLU A 26 -6.597 -4.661 -9.333 1.00 52.22 C ATOM 399 O GLU A 26 -5.741 -5.522 -9.086 1.00 11.04 O ATOM 400 CB GLU A 26 -7.136 -4.444 -11.819 1.00 12.11 C ATOM 401 CG GLU A 26 -8.114 -4.749 -12.975 1.00 43.14 C ATOM 402 CD GLU A 26 -7.531 -4.456 -14.369 1.00 20.04 C ATOM 403 OE1 GLU A 26 -7.022 -5.395 -15.027 1.00 22.50 O ATOM 404 OE2 GLU A 26 -7.561 -3.288 -14.811 1.00 4.34 O ATOM 0 H GLU A 26 -9.096 -3.389 -10.631 1.00 74.11 H new ATOM 0 HA GLU A 26 -7.820 -5.982 -10.467 1.00 34.23 H new ATOM 0 HB2 GLU A 26 -6.947 -3.371 -11.788 1.00 12.11 H new ATOM 0 HB3 GLU A 26 -6.182 -4.930 -12.025 1.00 12.11 H new ATOM 0 HG2 GLU A 26 -8.406 -5.798 -12.926 1.00 43.14 H new ATOM 0 HG3 GLU A 26 -9.020 -4.159 -12.838 1.00 43.14 H new ATOM 411 N ALA A 27 -6.686 -3.500 -8.669 1.00 62.31 N ATOM 412 CA ALA A 27 -5.788 -3.129 -7.565 1.00 13.52 C ATOM 413 C ALA A 27 -6.024 -4.049 -6.357 1.00 62.31 C ATOM 414 O ALA A 27 -5.078 -4.556 -5.754 1.00 54.14 O ATOM 415 CB ALA A 27 -5.994 -1.659 -7.179 1.00 3.51 C ATOM 0 H ALA A 27 -7.385 -2.789 -8.883 1.00 62.31 H new ATOM 0 HA ALA A 27 -4.756 -3.252 -7.895 1.00 13.52 H new ATOM 0 HB1 ALA A 27 -5.322 -1.400 -6.361 1.00 3.51 H new ATOM 0 HB2 ALA A 27 -5.780 -1.024 -8.039 1.00 3.51 H new ATOM 0 HB3 ALA A 27 -7.026 -1.507 -6.863 1.00 3.51 H new ATOM 421 N GLN A 28 -7.310 -4.279 -6.030 1.00 32.14 N ATOM 422 CA GLN A 28 -7.697 -5.180 -4.928 1.00 23.41 C ATOM 423 C GLN A 28 -7.601 -6.661 -5.345 1.00 33.13 C ATOM 424 O GLN A 28 -7.422 -7.528 -4.491 1.00 54.33 O ATOM 425 CB GLN A 28 -9.107 -4.823 -4.391 1.00 51.21 C ATOM 426 CG GLN A 28 -10.263 -4.945 -5.391 1.00 34.33 C ATOM 427 CD GLN A 28 -11.577 -4.385 -4.844 1.00 63.14 C ATOM 428 OE1 GLN A 28 -12.358 -5.100 -4.220 1.00 55.14 O ATOM 429 NE2 GLN A 28 -11.818 -3.099 -5.066 1.00 61.15 N ATOM 0 H GLN A 28 -8.100 -3.852 -6.514 1.00 32.14 H new ATOM 0 HA GLN A 28 -6.987 -5.035 -4.113 1.00 23.41 H new ATOM 0 HB2 GLN A 28 -9.322 -5.467 -3.538 1.00 51.21 H new ATOM 0 HB3 GLN A 28 -9.083 -3.799 -4.019 1.00 51.21 H new ATOM 0 HG2 GLN A 28 -10.002 -4.418 -6.308 1.00 34.33 H new ATOM 0 HG3 GLN A 28 -10.401 -5.994 -5.654 1.00 34.33 H new ATOM 0 HE21 GLN A 28 -11.146 -2.537 -5.588 1.00 61.15 H new ATOM 0 HE22 GLN A 28 -12.675 -2.673 -4.714 1.00 61.15 H new ATOM 438 N GLU A 29 -7.689 -6.933 -6.665 1.00 51.31 N ATOM 439 CA GLU A 29 -7.572 -8.301 -7.218 1.00 45.20 C ATOM 440 C GLU A 29 -6.174 -8.869 -6.946 1.00 14.45 C ATOM 441 O GLU A 29 -6.042 -9.995 -6.445 1.00 5.24 O ATOM 442 CB GLU A 29 -7.852 -8.316 -8.742 1.00 0.12 C ATOM 443 CG GLU A 29 -7.784 -9.711 -9.405 1.00 14.32 C ATOM 444 CD GLU A 29 -7.924 -9.652 -10.929 1.00 55.02 C ATOM 445 OE1 GLU A 29 -6.985 -9.161 -11.588 1.00 40.42 O ATOM 446 OE2 GLU A 29 -8.970 -10.075 -11.474 1.00 42.30 O ATOM 0 H GLU A 29 -7.842 -6.216 -7.374 1.00 51.31 H new ATOM 0 HA GLU A 29 -8.318 -8.923 -6.723 1.00 45.20 H new ATOM 0 HB2 GLU A 29 -8.841 -7.894 -8.919 1.00 0.12 H new ATOM 0 HB3 GLU A 29 -7.134 -7.661 -9.235 1.00 0.12 H new ATOM 0 HG2 GLU A 29 -6.835 -10.183 -9.150 1.00 14.32 H new ATOM 0 HG3 GLU A 29 -8.574 -10.341 -8.996 1.00 14.32 H new ATOM 453 N LEU A 30 -5.131 -8.067 -7.262 1.00 55.22 N ATOM 454 CA LEU A 30 -3.731 -8.488 -7.069 1.00 73.44 C ATOM 455 C LEU A 30 -3.431 -8.640 -5.569 1.00 12.22 C ATOM 456 O LEU A 30 -2.711 -9.553 -5.178 1.00 50.33 O ATOM 457 CB LEU A 30 -2.731 -7.536 -7.810 1.00 33.43 C ATOM 458 CG LEU A 30 -2.554 -6.056 -7.291 1.00 50.23 C ATOM 459 CD1 LEU A 30 -1.516 -5.950 -6.143 1.00 14.14 C ATOM 460 CD2 LEU A 30 -2.199 -5.082 -8.446 1.00 54.42 C ATOM 0 H LEU A 30 -5.235 -7.129 -7.650 1.00 55.22 H new ATOM 0 HA LEU A 30 -3.588 -9.467 -7.527 1.00 73.44 H new ATOM 0 HB2 LEU A 30 -1.750 -8.011 -7.791 1.00 33.43 H new ATOM 0 HB3 LEU A 30 -3.039 -7.484 -8.854 1.00 33.43 H new ATOM 0 HG LEU A 30 -3.520 -5.759 -6.882 1.00 50.23 H new ATOM 0 HD11 LEU A 30 -1.432 -4.911 -5.823 1.00 14.14 H new ATOM 0 HD12 LEU A 30 -1.839 -6.564 -5.302 1.00 14.14 H new ATOM 0 HD13 LEU A 30 -0.546 -6.300 -6.496 1.00 14.14 H new ATOM 0 HD21 LEU A 30 -2.085 -4.073 -8.049 1.00 54.42 H new ATOM 0 HD22 LEU A 30 -1.265 -5.396 -8.913 1.00 54.42 H new ATOM 0 HD23 LEU A 30 -2.997 -5.092 -9.189 1.00 54.42 H new ATOM 472 N LEU A 31 -4.051 -7.765 -4.740 1.00 13.53 N ATOM 473 CA LEU A 31 -3.946 -7.814 -3.261 1.00 45.54 C ATOM 474 C LEU A 31 -4.582 -9.093 -2.673 1.00 3.02 C ATOM 475 O LEU A 31 -4.274 -9.464 -1.548 1.00 44.42 O ATOM 476 CB LEU A 31 -4.603 -6.556 -2.619 1.00 5.21 C ATOM 477 CG LEU A 31 -3.821 -5.213 -2.748 1.00 0.33 C ATOM 478 CD1 LEU A 31 -4.638 -4.022 -2.198 1.00 10.34 C ATOM 479 CD2 LEU A 31 -2.456 -5.307 -2.047 1.00 72.54 C ATOM 0 H LEU A 31 -4.639 -7.004 -5.079 1.00 13.53 H new ATOM 0 HA LEU A 31 -2.883 -7.829 -3.021 1.00 45.54 H new ATOM 0 HB2 LEU A 31 -5.587 -6.421 -3.067 1.00 5.21 H new ATOM 0 HB3 LEU A 31 -4.760 -6.758 -1.559 1.00 5.21 H new ATOM 0 HG LEU A 31 -3.652 -5.033 -3.810 1.00 0.33 H new ATOM 0 HD11 LEU A 31 -4.060 -3.104 -2.305 1.00 10.34 H new ATOM 0 HD12 LEU A 31 -5.570 -3.931 -2.756 1.00 10.34 H new ATOM 0 HD13 LEU A 31 -4.861 -4.189 -1.144 1.00 10.34 H new ATOM 0 HD21 LEU A 31 -1.928 -4.359 -2.150 1.00 72.54 H new ATOM 0 HD22 LEU A 31 -2.604 -5.527 -0.990 1.00 72.54 H new ATOM 0 HD23 LEU A 31 -1.866 -6.102 -2.504 1.00 72.54 H new ATOM 491 N ASN A 32 -5.490 -9.730 -3.423 1.00 25.31 N ATOM 492 CA ASN A 32 -6.099 -11.027 -3.028 1.00 73.44 C ATOM 493 C ASN A 32 -5.136 -12.178 -3.381 1.00 3.35 C ATOM 494 O ASN A 32 -5.083 -13.204 -2.690 1.00 42.34 O ATOM 495 CB ASN A 32 -7.473 -11.215 -3.753 1.00 74.53 C ATOM 496 CG ASN A 32 -8.431 -12.207 -3.065 1.00 34.40 C ATOM 497 OD1 ASN A 32 -8.018 -13.136 -2.371 1.00 53.20 O ATOM 498 ND2 ASN A 32 -9.727 -12.014 -3.263 1.00 33.23 N ATOM 0 H ASN A 32 -5.828 -9.372 -4.316 1.00 25.31 H new ATOM 0 HA ASN A 32 -6.275 -11.034 -1.952 1.00 73.44 H new ATOM 0 HB2 ASN A 32 -7.966 -10.246 -3.826 1.00 74.53 H new ATOM 0 HB3 ASN A 32 -7.288 -11.556 -4.772 1.00 74.53 H new ATOM 0 HD21 ASN A 32 -10.407 -12.643 -2.836 1.00 33.23 H new ATOM 0 HD22 ASN A 32 -10.044 -11.237 -3.842 1.00 33.23 H new ATOM 505 N LYS A 33 -4.361 -11.968 -4.461 1.00 63.53 N ATOM 506 CA LYS A 33 -3.467 -12.981 -5.049 1.00 34.21 C ATOM 507 C LYS A 33 -2.137 -13.111 -4.276 1.00 42.14 C ATOM 508 O LYS A 33 -1.584 -14.220 -4.181 1.00 14.10 O ATOM 509 CB LYS A 33 -3.203 -12.621 -6.539 1.00 43.01 C ATOM 510 CG LYS A 33 -4.473 -12.653 -7.427 1.00 64.51 C ATOM 511 CD LYS A 33 -4.228 -12.151 -8.869 1.00 42.23 C ATOM 512 CE LYS A 33 -3.180 -12.978 -9.631 1.00 14.53 C ATOM 513 NZ LYS A 33 -3.011 -12.495 -11.030 1.00 72.32 N ATOM 0 H LYS A 33 -4.338 -11.077 -4.956 1.00 63.53 H new ATOM 0 HA LYS A 33 -3.960 -13.951 -4.981 1.00 34.21 H new ATOM 0 HB2 LYS A 33 -2.761 -11.626 -6.589 1.00 43.01 H new ATOM 0 HB3 LYS A 33 -2.469 -13.317 -6.946 1.00 43.01 H new ATOM 0 HG2 LYS A 33 -4.855 -13.673 -7.465 1.00 64.51 H new ATOM 0 HG3 LYS A 33 -5.247 -12.041 -6.964 1.00 64.51 H new ATOM 0 HD2 LYS A 33 -5.169 -12.174 -9.419 1.00 42.23 H new ATOM 0 HD3 LYS A 33 -3.904 -11.111 -8.834 1.00 42.23 H new ATOM 0 HE2 LYS A 33 -2.224 -12.925 -9.109 1.00 14.53 H new ATOM 0 HE3 LYS A 33 -3.480 -14.026 -9.641 1.00 14.53 H new ATOM 0 HZ1 LYS A 33 -2.297 -13.076 -11.514 1.00 72.32 H new ATOM 0 HZ2 LYS A 33 -3.917 -12.569 -11.535 1.00 72.32 H new ATOM 0 HZ3 LYS A 33 -2.701 -11.502 -11.019 1.00 72.32 H new ATOM 527 N ILE A 34 -1.617 -11.984 -3.743 1.00 1.01 N ATOM 528 CA ILE A 34 -0.283 -11.939 -3.081 1.00 24.44 C ATOM 529 C ILE A 34 -0.404 -11.705 -1.559 1.00 1.00 C ATOM 530 O ILE A 34 0.265 -12.371 -0.757 1.00 64.14 O ATOM 531 CB ILE A 34 0.652 -10.854 -3.755 1.00 42.45 C ATOM 532 CG1 ILE A 34 0.004 -9.429 -3.696 1.00 10.12 C ATOM 533 CG2 ILE A 34 0.993 -11.258 -5.211 1.00 5.23 C ATOM 534 CD1 ILE A 34 0.712 -8.346 -4.481 1.00 22.35 C ATOM 0 H ILE A 34 -2.100 -11.085 -3.756 1.00 1.01 H new ATOM 0 HA ILE A 34 0.181 -12.916 -3.220 1.00 24.44 H new ATOM 0 HB ILE A 34 1.583 -10.811 -3.189 1.00 42.45 H new ATOM 0 HG12 ILE A 34 -1.021 -9.502 -4.059 1.00 10.12 H new ATOM 0 HG13 ILE A 34 -0.049 -9.118 -2.653 1.00 10.12 H new ATOM 0 HG21 ILE A 34 1.636 -10.500 -5.658 1.00 5.23 H new ATOM 0 HG22 ILE A 34 1.509 -12.218 -5.211 1.00 5.23 H new ATOM 0 HG23 ILE A 34 0.074 -11.341 -5.790 1.00 5.23 H new ATOM 0 HD11 ILE A 34 0.175 -7.404 -4.367 1.00 22.35 H new ATOM 0 HD12 ILE A 34 1.729 -8.231 -4.107 1.00 22.35 H new ATOM 0 HD13 ILE A 34 0.742 -8.621 -5.535 1.00 22.35 H new ATOM 546 N LEU A 35 -1.260 -10.750 -1.177 1.00 33.51 N ATOM 547 CA LEU A 35 -1.588 -10.450 0.232 1.00 31.22 C ATOM 548 C LEU A 35 -2.881 -11.193 0.611 1.00 63.43 C ATOM 549 O LEU A 35 -3.473 -11.897 -0.220 1.00 40.22 O ATOM 550 CB LEU A 35 -1.727 -8.897 0.435 1.00 41.01 C ATOM 551 CG LEU A 35 -0.428 -8.107 0.836 1.00 64.54 C ATOM 552 CD1 LEU A 35 -0.028 -8.392 2.302 1.00 3.01 C ATOM 553 CD2 LEU A 35 0.753 -8.397 -0.125 1.00 71.31 C ATOM 0 H LEU A 35 -1.753 -10.154 -1.841 1.00 33.51 H new ATOM 0 HA LEU A 35 -0.787 -10.792 0.887 1.00 31.22 H new ATOM 0 HB2 LEU A 35 -2.111 -8.468 -0.490 1.00 41.01 H new ATOM 0 HB3 LEU A 35 -2.480 -8.723 1.204 1.00 41.01 H new ATOM 0 HG LEU A 35 -0.664 -7.047 0.747 1.00 64.54 H new ATOM 0 HD11 LEU A 35 0.874 -7.831 2.549 1.00 3.01 H new ATOM 0 HD12 LEU A 35 -0.837 -8.088 2.966 1.00 3.01 H new ATOM 0 HD13 LEU A 35 0.162 -9.458 2.427 1.00 3.01 H new ATOM 0 HD21 LEU A 35 1.628 -7.829 0.192 1.00 71.31 H new ATOM 0 HD22 LEU A 35 0.985 -9.462 -0.106 1.00 71.31 H new ATOM 0 HD23 LEU A 35 0.478 -8.104 -1.138 1.00 71.31 H new ATOM 565 N SER A 36 -3.285 -11.070 1.878 1.00 63.32 N ATOM 566 CA SER A 36 -4.546 -11.640 2.359 1.00 21.11 C ATOM 567 C SER A 36 -5.745 -10.835 1.791 1.00 64.45 C ATOM 568 O SER A 36 -5.620 -9.622 1.587 1.00 43.43 O ATOM 569 CB SER A 36 -4.563 -11.627 3.901 1.00 40.24 C ATOM 570 OG SER A 36 -3.414 -12.266 4.428 1.00 34.14 O ATOM 0 H SER A 36 -2.752 -10.577 2.594 1.00 63.32 H new ATOM 0 HA SER A 36 -4.633 -12.671 2.015 1.00 21.11 H new ATOM 0 HB2 SER A 36 -4.607 -10.598 4.259 1.00 40.24 H new ATOM 0 HB3 SER A 36 -5.460 -12.129 4.262 1.00 40.24 H new ATOM 0 HG SER A 36 -3.447 -12.243 5.407 1.00 34.14 H new ATOM 576 N PRO A 37 -6.919 -11.486 1.512 1.00 1.51 N ATOM 577 CA PRO A 37 -8.164 -10.764 1.124 1.00 0.21 C ATOM 578 C PRO A 37 -8.664 -9.781 2.212 1.00 60.44 C ATOM 579 O PRO A 37 -9.459 -8.882 1.931 1.00 33.01 O ATOM 580 CB PRO A 37 -9.181 -11.908 0.851 1.00 5.22 C ATOM 581 CG PRO A 37 -8.618 -13.115 1.547 1.00 75.51 C ATOM 582 CD PRO A 37 -7.118 -12.963 1.470 1.00 70.42 C ATOM 0 HA PRO A 37 -8.008 -10.120 0.258 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -10.169 -11.656 1.237 1.00 5.22 H new ATOM 0 HB3 PRO A 37 -9.293 -12.087 -0.218 1.00 5.22 H new ATOM 0 HG2 PRO A 37 -8.955 -13.163 2.583 1.00 75.51 H new ATOM 0 HG3 PRO A 37 -8.944 -14.035 1.062 1.00 75.51 H new ATOM 0 HD2 PRO A 37 -6.620 -13.460 2.303 1.00 70.42 H new ATOM 0 HD3 PRO A 37 -6.716 -13.397 0.554 1.00 70.42 H new ATOM 590 N ASP A 38 -8.183 -9.989 3.446 1.00 11.55 N ATOM 591 CA ASP A 38 -8.413 -9.088 4.590 1.00 22.21 C ATOM 592 C ASP A 38 -7.690 -7.746 4.394 1.00 43.12 C ATOM 593 O ASP A 38 -8.220 -6.692 4.755 1.00 60.42 O ATOM 594 CB ASP A 38 -7.915 -9.758 5.899 1.00 13.21 C ATOM 595 CG ASP A 38 -8.571 -11.122 6.151 1.00 2.03 C ATOM 596 OD1 ASP A 38 -8.113 -12.127 5.563 1.00 60.21 O ATOM 597 OD2 ASP A 38 -9.564 -11.199 6.902 1.00 11.41 O ATOM 0 H ASP A 38 -7.613 -10.801 3.684 1.00 11.55 H new ATOM 0 HA ASP A 38 -9.484 -8.896 4.658 1.00 22.21 H new ATOM 0 HB2 ASP A 38 -6.833 -9.883 5.850 1.00 13.21 H new ATOM 0 HB3 ASP A 38 -8.122 -9.098 6.742 1.00 13.21 H new ATOM 602 N VAL A 39 -6.475 -7.813 3.814 1.00 2.50 N ATOM 603 CA VAL A 39 -5.636 -6.633 3.562 1.00 24.22 C ATOM 604 C VAL A 39 -6.355 -5.670 2.600 1.00 62.03 C ATOM 605 O VAL A 39 -6.597 -4.517 2.963 1.00 51.14 O ATOM 606 CB VAL A 39 -4.220 -7.037 3.006 1.00 0.41 C ATOM 607 CG1 VAL A 39 -3.376 -5.799 2.602 1.00 23.44 C ATOM 608 CG2 VAL A 39 -3.466 -7.923 4.034 1.00 30.33 C ATOM 0 H VAL A 39 -6.051 -8.689 3.508 1.00 2.50 H new ATOM 0 HA VAL A 39 -5.473 -6.122 4.511 1.00 24.22 H new ATOM 0 HB VAL A 39 -4.376 -7.619 2.098 1.00 0.41 H new ATOM 0 HG11 VAL A 39 -2.407 -6.127 2.224 1.00 23.44 H new ATOM 0 HG12 VAL A 39 -3.898 -5.240 1.825 1.00 23.44 H new ATOM 0 HG13 VAL A 39 -3.229 -5.159 3.472 1.00 23.44 H new ATOM 0 HG21 VAL A 39 -2.489 -8.193 3.634 1.00 30.33 H new ATOM 0 HG22 VAL A 39 -3.337 -7.371 4.965 1.00 30.33 H new ATOM 0 HG23 VAL A 39 -4.042 -8.828 4.226 1.00 30.33 H new ATOM 618 N LEU A 40 -6.753 -6.175 1.414 1.00 34.31 N ATOM 619 CA LEU A 40 -7.437 -5.354 0.379 1.00 34.11 C ATOM 620 C LEU A 40 -8.747 -4.765 0.920 1.00 54.41 C ATOM 621 O LEU A 40 -9.146 -3.658 0.537 1.00 15.51 O ATOM 622 CB LEU A 40 -7.712 -6.189 -0.916 1.00 62.14 C ATOM 623 CG LEU A 40 -8.864 -7.272 -0.867 1.00 15.54 C ATOM 624 CD1 LEU A 40 -10.250 -6.715 -1.287 1.00 54.44 C ATOM 625 CD2 LEU A 40 -8.517 -8.508 -1.697 1.00 42.51 C ATOM 0 H LEU A 40 -6.615 -7.149 1.144 1.00 34.31 H new ATOM 0 HA LEU A 40 -6.770 -4.532 0.120 1.00 34.11 H new ATOM 0 HB2 LEU A 40 -7.943 -5.491 -1.721 1.00 62.14 H new ATOM 0 HB3 LEU A 40 -6.787 -6.697 -1.189 1.00 62.14 H new ATOM 0 HG LEU A 40 -8.941 -7.564 0.180 1.00 15.54 H new ATOM 0 HD11 LEU A 40 -10.994 -7.510 -1.231 1.00 54.44 H new ATOM 0 HD12 LEU A 40 -10.534 -5.904 -0.617 1.00 54.44 H new ATOM 0 HD13 LEU A 40 -10.197 -6.340 -2.309 1.00 54.44 H new ATOM 0 HD21 LEU A 40 -9.334 -9.228 -1.637 1.00 42.51 H new ATOM 0 HD22 LEU A 40 -8.365 -8.217 -2.736 1.00 42.51 H new ATOM 0 HD23 LEU A 40 -7.605 -8.962 -1.310 1.00 42.51 H new ATOM 637 N ASP A 41 -9.400 -5.541 1.805 1.00 63.50 N ATOM 638 CA ASP A 41 -10.710 -5.212 2.367 1.00 75.11 C ATOM 639 C ASP A 41 -10.608 -3.984 3.280 1.00 24.41 C ATOM 640 O ASP A 41 -11.299 -2.995 3.060 1.00 41.44 O ATOM 641 CB ASP A 41 -11.298 -6.437 3.113 1.00 41.11 C ATOM 642 CG ASP A 41 -12.708 -6.199 3.685 1.00 33.22 C ATOM 643 OD1 ASP A 41 -12.947 -6.515 4.875 1.00 44.11 O ATOM 644 OD2 ASP A 41 -13.586 -5.712 2.941 1.00 22.44 O ATOM 0 H ASP A 41 -9.022 -6.424 2.150 1.00 63.50 H new ATOM 0 HA ASP A 41 -11.393 -4.961 1.555 1.00 75.11 H new ATOM 0 HB2 ASP A 41 -11.332 -7.285 2.429 1.00 41.11 H new ATOM 0 HB3 ASP A 41 -10.627 -6.711 3.927 1.00 41.11 H new ATOM 649 N GLN A 42 -9.705 -4.032 4.273 1.00 74.45 N ATOM 650 CA GLN A 42 -9.506 -2.907 5.210 1.00 35.00 C ATOM 651 C GLN A 42 -8.904 -1.671 4.491 1.00 15.02 C ATOM 652 O GLN A 42 -9.090 -0.536 4.941 1.00 20.30 O ATOM 653 CB GLN A 42 -8.668 -3.354 6.450 1.00 13.25 C ATOM 654 CG GLN A 42 -7.220 -3.856 6.187 1.00 74.23 C ATOM 655 CD GLN A 42 -6.165 -2.751 6.032 1.00 2.44 C ATOM 656 OE1 GLN A 42 -6.294 -1.661 6.592 1.00 74.22 O ATOM 657 NE2 GLN A 42 -5.109 -3.027 5.286 1.00 30.02 N ATOM 0 H GLN A 42 -9.101 -4.835 4.450 1.00 74.45 H new ATOM 0 HA GLN A 42 -10.481 -2.597 5.585 1.00 35.00 H new ATOM 0 HB2 GLN A 42 -8.613 -2.513 7.141 1.00 13.25 H new ATOM 0 HB3 GLN A 42 -9.214 -4.149 6.958 1.00 13.25 H new ATOM 0 HG2 GLN A 42 -6.923 -4.507 7.009 1.00 74.23 H new ATOM 0 HG3 GLN A 42 -7.222 -4.464 5.283 1.00 74.23 H new ATOM 0 HE21 GLN A 42 -5.028 -3.938 4.834 1.00 30.02 H new ATOM 0 HE22 GLN A 42 -4.375 -2.329 5.163 1.00 30.02 H new ATOM 666 N VAL A 43 -8.195 -1.911 3.365 1.00 23.31 N ATOM 667 CA VAL A 43 -7.635 -0.845 2.513 1.00 24.03 C ATOM 668 C VAL A 43 -8.769 -0.067 1.794 1.00 21.11 C ATOM 669 O VAL A 43 -8.838 1.164 1.900 1.00 33.12 O ATOM 670 CB VAL A 43 -6.582 -1.431 1.484 1.00 63.25 C ATOM 671 CG1 VAL A 43 -6.248 -0.447 0.348 1.00 73.32 C ATOM 672 CG2 VAL A 43 -5.278 -1.854 2.207 1.00 25.21 C ATOM 0 H VAL A 43 -7.996 -2.851 3.024 1.00 23.31 H new ATOM 0 HA VAL A 43 -7.103 -0.140 3.151 1.00 24.03 H new ATOM 0 HB VAL A 43 -7.050 -2.307 1.034 1.00 63.25 H new ATOM 0 HG11 VAL A 43 -5.522 -0.902 -0.326 1.00 73.32 H new ATOM 0 HG12 VAL A 43 -7.156 -0.208 -0.205 1.00 73.32 H new ATOM 0 HG13 VAL A 43 -5.829 0.467 0.770 1.00 73.32 H new ATOM 0 HG21 VAL A 43 -4.571 -2.253 1.479 1.00 25.21 H new ATOM 0 HG22 VAL A 43 -4.839 -0.988 2.702 1.00 25.21 H new ATOM 0 HG23 VAL A 43 -5.505 -2.619 2.949 1.00 25.21 H new ATOM 682 N ARG A 44 -9.678 -0.780 1.109 1.00 14.10 N ATOM 683 CA ARG A 44 -10.794 -0.143 0.353 1.00 54.34 C ATOM 684 C ARG A 44 -11.790 0.572 1.308 1.00 21.24 C ATOM 685 O ARG A 44 -12.554 1.445 0.876 1.00 21.53 O ATOM 686 CB ARG A 44 -11.528 -1.180 -0.546 1.00 24.44 C ATOM 687 CG ARG A 44 -12.271 -2.290 0.230 1.00 42.50 C ATOM 688 CD ARG A 44 -13.007 -3.300 -0.662 1.00 51.41 C ATOM 689 NE ARG A 44 -13.678 -4.348 0.143 1.00 14.34 N ATOM 690 CZ ARG A 44 -14.835 -4.959 -0.177 1.00 4.20 C ATOM 691 NH1 ARG A 44 -15.489 -4.642 -1.292 1.00 54.12 N ATOM 692 NH2 ARG A 44 -15.327 -5.892 0.628 1.00 63.42 N ATOM 0 H ARG A 44 -9.671 -1.799 1.057 1.00 14.10 H new ATOM 0 HA ARG A 44 -10.358 0.615 -0.298 1.00 54.34 H new ATOM 0 HB2 ARG A 44 -12.245 -0.653 -1.176 1.00 24.44 H new ATOM 0 HB3 ARG A 44 -10.800 -1.644 -1.211 1.00 24.44 H new ATOM 0 HG2 ARG A 44 -11.553 -2.826 0.850 1.00 42.50 H new ATOM 0 HG3 ARG A 44 -12.991 -1.826 0.904 1.00 42.50 H new ATOM 0 HD2 ARG A 44 -13.746 -2.779 -1.271 1.00 51.41 H new ATOM 0 HD3 ARG A 44 -12.299 -3.765 -1.348 1.00 51.41 H new ATOM 0 HE ARG A 44 -13.226 -4.630 1.012 1.00 14.34 H new ATOM 0 HH11 ARG A 44 -15.115 -3.928 -1.917 1.00 54.12 H new ATOM 0 HH12 ARG A 44 -16.364 -5.113 -1.521 1.00 54.12 H new ATOM 0 HH21 ARG A 44 -14.830 -6.142 1.483 1.00 63.42 H new ATOM 0 HH22 ARG A 44 -16.203 -6.359 0.392 1.00 63.42 H new ATOM 706 N GLU A 45 -11.782 0.176 2.600 1.00 54.10 N ATOM 707 CA GLU A 45 -12.553 0.856 3.666 1.00 51.35 C ATOM 708 C GLU A 45 -11.796 2.095 4.177 1.00 71.04 C ATOM 709 O GLU A 45 -12.413 3.116 4.499 1.00 35.20 O ATOM 710 CB GLU A 45 -12.839 -0.126 4.828 1.00 4.51 C ATOM 711 CG GLU A 45 -13.571 -1.404 4.384 1.00 33.23 C ATOM 712 CD GLU A 45 -13.876 -2.375 5.533 1.00 2.31 C ATOM 713 OE1 GLU A 45 -15.064 -2.529 5.903 1.00 3.13 O ATOM 714 OE2 GLU A 45 -12.929 -2.977 6.083 1.00 72.13 O ATOM 0 H GLU A 45 -11.242 -0.623 2.933 1.00 54.10 H new ATOM 0 HA GLU A 45 -13.504 1.188 3.249 1.00 51.35 H new ATOM 0 HB2 GLU A 45 -11.896 -0.402 5.300 1.00 4.51 H new ATOM 0 HB3 GLU A 45 -13.438 0.382 5.584 1.00 4.51 H new ATOM 0 HG2 GLU A 45 -14.506 -1.126 3.898 1.00 33.23 H new ATOM 0 HG3 GLU A 45 -12.965 -1.918 3.638 1.00 33.23 H new ATOM 721 N HIS A 46 -10.450 1.998 4.232 1.00 22.21 N ATOM 722 CA HIS A 46 -9.567 3.125 4.640 1.00 23.54 C ATOM 723 C HIS A 46 -9.613 4.254 3.591 1.00 74.12 C ATOM 724 O HIS A 46 -9.282 5.410 3.892 1.00 5.10 O ATOM 725 CB HIS A 46 -8.109 2.639 4.838 1.00 65.43 C ATOM 726 CG HIS A 46 -7.176 3.689 5.395 1.00 20.52 C ATOM 727 ND1 HIS A 46 -6.540 4.635 4.614 1.00 74.41 N ATOM 728 CD2 HIS A 46 -6.791 3.946 6.665 1.00 55.10 C ATOM 729 CE1 HIS A 46 -5.816 5.424 5.380 1.00 25.22 C ATOM 730 NE2 HIS A 46 -5.950 5.028 6.624 1.00 53.30 N ATOM 0 H HIS A 46 -9.943 1.145 3.998 1.00 22.21 H new ATOM 0 HA HIS A 46 -9.933 3.514 5.590 1.00 23.54 H new ATOM 0 HB2 HIS A 46 -8.112 1.780 5.508 1.00 65.43 H new ATOM 0 HB3 HIS A 46 -7.720 2.294 3.880 1.00 65.43 H new ATOM 0 HD2 HIS A 46 -7.090 3.400 7.548 1.00 55.10 H new ATOM 0 HE1 HIS A 46 -5.215 6.255 5.042 1.00 25.22 H new ATOM 0 HE2 HIS A 46 -5.500 5.457 7.432 1.00 53.30 H new ATOM 739 N ALA A 47 -10.002 3.882 2.360 1.00 34.22 N ATOM 740 CA ALA A 47 -10.263 4.826 1.266 1.00 53.43 C ATOM 741 C ALA A 47 -11.244 5.921 1.694 1.00 4.22 C ATOM 742 O ALA A 47 -11.010 7.098 1.434 1.00 21.41 O ATOM 743 CB ALA A 47 -10.818 4.078 0.059 1.00 55.12 C ATOM 0 H ALA A 47 -10.145 2.907 2.096 1.00 34.22 H new ATOM 0 HA ALA A 47 -9.320 5.303 1.000 1.00 53.43 H new ATOM 0 HB1 ALA A 47 -11.010 4.783 -0.750 1.00 55.12 H new ATOM 0 HB2 ALA A 47 -10.094 3.334 -0.273 1.00 55.12 H new ATOM 0 HB3 ALA A 47 -11.748 3.581 0.335 1.00 55.12 H new ATOM 749 N ARG A 48 -12.307 5.496 2.411 1.00 12.43 N ATOM 750 CA ARG A 48 -13.393 6.376 2.872 1.00 64.34 C ATOM 751 C ARG A 48 -12.861 7.507 3.777 1.00 12.11 C ATOM 752 O ARG A 48 -13.395 8.605 3.754 1.00 3.11 O ATOM 753 CB ARG A 48 -14.458 5.558 3.650 1.00 32.00 C ATOM 754 CG ARG A 48 -15.071 4.377 2.863 1.00 43.53 C ATOM 755 CD ARG A 48 -16.103 3.586 3.695 1.00 4.13 C ATOM 756 NE ARG A 48 -16.614 2.402 2.977 1.00 14.31 N ATOM 757 CZ ARG A 48 -17.731 2.358 2.229 1.00 72.44 C ATOM 758 NH1 ARG A 48 -18.492 3.440 2.065 1.00 14.03 N ATOM 759 NH2 ARG A 48 -18.091 1.214 1.676 1.00 53.14 N ATOM 0 H ARG A 48 -12.433 4.522 2.687 1.00 12.43 H new ATOM 0 HA ARG A 48 -13.846 6.824 1.987 1.00 64.34 H new ATOM 0 HB2 ARG A 48 -14.004 5.171 4.562 1.00 32.00 H new ATOM 0 HB3 ARG A 48 -15.261 6.230 3.954 1.00 32.00 H new ATOM 0 HG2 ARG A 48 -15.550 4.756 1.960 1.00 43.53 H new ATOM 0 HG3 ARG A 48 -14.275 3.705 2.543 1.00 43.53 H new ATOM 0 HD2 ARG A 48 -15.645 3.270 4.632 1.00 4.13 H new ATOM 0 HD3 ARG A 48 -16.936 4.240 3.952 1.00 4.13 H new ATOM 0 HE ARG A 48 -16.072 1.541 3.055 1.00 14.31 H new ATOM 0 HH11 ARG A 48 -18.231 4.320 2.510 1.00 14.03 H new ATOM 0 HH12 ARG A 48 -19.336 3.388 1.494 1.00 14.03 H new ATOM 0 HH21 ARG A 48 -17.524 0.378 1.819 1.00 53.14 H new ATOM 0 HH22 ARG A 48 -18.936 1.166 1.106 1.00 53.14 H new ATOM 773 N GLU A 49 -11.801 7.215 4.556 1.00 62.52 N ATOM 774 CA GLU A 49 -11.216 8.172 5.527 1.00 32.24 C ATOM 775 C GLU A 49 -10.578 9.365 4.795 1.00 72.33 C ATOM 776 O GLU A 49 -10.871 10.533 5.090 1.00 71.54 O ATOM 777 CB GLU A 49 -10.154 7.462 6.427 1.00 2.41 C ATOM 778 CG GLU A 49 -10.616 6.120 7.032 1.00 65.22 C ATOM 779 CD GLU A 49 -11.987 6.190 7.734 1.00 32.50 C ATOM 780 OE1 GLU A 49 -12.073 6.756 8.844 1.00 51.45 O ATOM 781 OE2 GLU A 49 -12.987 5.677 7.180 1.00 12.11 O ATOM 0 H GLU A 49 -11.325 6.313 4.533 1.00 62.52 H new ATOM 0 HA GLU A 49 -12.019 8.544 6.163 1.00 32.24 H new ATOM 0 HB2 GLU A 49 -9.255 7.288 5.836 1.00 2.41 H new ATOM 0 HB3 GLU A 49 -9.877 8.135 7.239 1.00 2.41 H new ATOM 0 HG2 GLU A 49 -10.662 5.372 6.240 1.00 65.22 H new ATOM 0 HG3 GLU A 49 -9.869 5.779 7.749 1.00 65.22 H new ATOM 788 N LEU A 50 -9.725 9.039 3.812 1.00 33.14 N ATOM 789 CA LEU A 50 -8.955 10.031 3.042 1.00 60.42 C ATOM 790 C LEU A 50 -9.862 10.752 2.020 1.00 24.22 C ATOM 791 O LEU A 50 -9.699 11.947 1.770 1.00 55.12 O ATOM 792 CB LEU A 50 -7.760 9.330 2.335 1.00 74.32 C ATOM 793 CG LEU A 50 -6.788 8.536 3.275 1.00 41.14 C ATOM 794 CD1 LEU A 50 -5.685 7.817 2.466 1.00 74.11 C ATOM 795 CD2 LEU A 50 -6.177 9.449 4.371 1.00 2.23 C ATOM 0 H LEU A 50 -9.548 8.076 3.527 1.00 33.14 H new ATOM 0 HA LEU A 50 -8.563 10.786 3.723 1.00 60.42 H new ATOM 0 HB2 LEU A 50 -8.156 8.643 1.587 1.00 74.32 H new ATOM 0 HB3 LEU A 50 -7.184 10.085 1.800 1.00 74.32 H new ATOM 0 HG LEU A 50 -7.379 7.773 3.780 1.00 41.14 H new ATOM 0 HD11 LEU A 50 -5.028 7.276 3.147 1.00 74.11 H new ATOM 0 HD12 LEU A 50 -6.144 7.115 1.770 1.00 74.11 H new ATOM 0 HD13 LEU A 50 -5.104 8.552 1.909 1.00 74.11 H new ATOM 0 HD21 LEU A 50 -5.509 8.863 5.002 1.00 2.23 H new ATOM 0 HD22 LEU A 50 -5.616 10.256 3.901 1.00 2.23 H new ATOM 0 HD23 LEU A 50 -6.976 9.870 4.981 1.00 2.23 H new ATOM 807 N GLN A 51 -10.839 10.008 1.476 1.00 51.25 N ATOM 808 CA GLN A 51 -11.770 10.493 0.428 1.00 62.21 C ATOM 809 C GLN A 51 -12.862 11.405 1.040 1.00 75.12 C ATOM 810 O GLN A 51 -13.363 12.320 0.371 1.00 51.24 O ATOM 811 CB GLN A 51 -12.401 9.274 -0.306 1.00 41.25 C ATOM 812 CG GLN A 51 -13.298 9.613 -1.510 1.00 33.52 C ATOM 813 CD GLN A 51 -13.893 8.368 -2.178 1.00 11.13 C ATOM 814 OE1 GLN A 51 -14.979 7.917 -1.818 1.00 75.32 O ATOM 815 NE2 GLN A 51 -13.179 7.798 -3.139 1.00 0.40 N ATOM 0 H GLN A 51 -11.012 9.041 1.751 1.00 51.25 H new ATOM 0 HA GLN A 51 -11.216 11.091 -0.295 1.00 62.21 H new ATOM 0 HB2 GLN A 51 -11.597 8.622 -0.647 1.00 41.25 H new ATOM 0 HB3 GLN A 51 -12.989 8.704 0.413 1.00 41.25 H new ATOM 0 HG2 GLN A 51 -14.107 10.265 -1.182 1.00 33.52 H new ATOM 0 HG3 GLN A 51 -12.717 10.171 -2.244 1.00 33.52 H new ATOM 0 HE21 GLN A 51 -12.282 8.198 -3.413 1.00 0.40 H new ATOM 0 HE22 GLN A 51 -13.527 6.959 -3.604 1.00 0.40 H new ATOM 824 N LYS A 52 -13.207 11.162 2.325 1.00 52.12 N ATOM 825 CA LYS A 52 -14.179 11.992 3.084 1.00 13.02 C ATOM 826 C LYS A 52 -13.594 13.395 3.322 1.00 64.20 C ATOM 827 O LYS A 52 -14.296 14.409 3.223 1.00 43.02 O ATOM 828 CB LYS A 52 -14.522 11.316 4.441 1.00 34.45 C ATOM 829 CG LYS A 52 -15.588 12.040 5.287 1.00 41.31 C ATOM 830 CD LYS A 52 -15.851 11.340 6.641 1.00 24.31 C ATOM 831 CE LYS A 52 -16.932 12.041 7.478 1.00 23.24 C ATOM 832 NZ LYS A 52 -16.553 13.439 7.833 1.00 33.45 N ATOM 0 H LYS A 52 -12.822 10.388 2.867 1.00 52.12 H new ATOM 0 HA LYS A 52 -15.096 12.084 2.501 1.00 13.02 H new ATOM 0 HB2 LYS A 52 -14.866 10.300 4.245 1.00 34.45 H new ATOM 0 HB3 LYS A 52 -13.608 11.236 5.029 1.00 34.45 H new ATOM 0 HG2 LYS A 52 -15.267 13.066 5.469 1.00 41.31 H new ATOM 0 HG3 LYS A 52 -16.519 12.093 4.723 1.00 41.31 H new ATOM 0 HD2 LYS A 52 -16.153 10.309 6.458 1.00 24.31 H new ATOM 0 HD3 LYS A 52 -14.923 11.304 7.212 1.00 24.31 H new ATOM 0 HE2 LYS A 52 -17.870 12.051 6.922 1.00 23.24 H new ATOM 0 HE3 LYS A 52 -17.108 11.472 8.391 1.00 23.24 H new ATOM 0 HZ1 LYS A 52 -17.263 13.837 8.481 1.00 33.45 H new ATOM 0 HZ2 LYS A 52 -15.622 13.439 8.297 1.00 33.45 H new ATOM 0 HZ3 LYS A 52 -16.509 14.017 6.969 1.00 33.45 H new ATOM 846 N GLN A 53 -12.288 13.420 3.634 1.00 43.43 N ATOM 847 CA GLN A 53 -11.507 14.659 3.783 1.00 14.43 C ATOM 848 C GLN A 53 -11.228 15.287 2.399 1.00 31.02 C ATOM 849 O GLN A 53 -11.102 16.510 2.279 1.00 72.22 O ATOM 850 CB GLN A 53 -10.181 14.352 4.518 1.00 10.44 C ATOM 851 CG GLN A 53 -10.362 13.750 5.924 1.00 3.13 C ATOM 852 CD GLN A 53 -9.033 13.365 6.579 1.00 43.02 C ATOM 853 OE1 GLN A 53 -8.413 14.160 7.286 1.00 54.02 O ATOM 854 NE2 GLN A 53 -8.579 12.149 6.326 1.00 12.24 N ATOM 0 H GLN A 53 -11.740 12.574 3.791 1.00 43.43 H new ATOM 0 HA GLN A 53 -12.080 15.375 4.372 1.00 14.43 H new ATOM 0 HB2 GLN A 53 -9.595 13.661 3.912 1.00 10.44 H new ATOM 0 HB3 GLN A 53 -9.603 15.273 4.601 1.00 10.44 H new ATOM 0 HG2 GLN A 53 -10.880 14.469 6.559 1.00 3.13 H new ATOM 0 HG3 GLN A 53 -10.998 12.868 5.857 1.00 3.13 H new ATOM 0 HE21 GLN A 53 -9.119 11.516 5.736 1.00 12.24 H new ATOM 0 HE22 GLN A 53 -7.689 11.844 6.721 1.00 12.24 H new ATOM 863 N GLY A 54 -11.142 14.417 1.371 1.00 42.40 N ATOM 864 CA GLY A 54 -10.909 14.833 -0.014 1.00 44.11 C ATOM 865 C GLY A 54 -9.434 15.028 -0.331 1.00 41.52 C ATOM 866 O GLY A 54 -9.077 15.839 -1.195 1.00 20.13 O ATOM 0 H GLY A 54 -11.233 13.408 1.486 1.00 42.40 H new ATOM 0 HA2 GLY A 54 -11.325 14.084 -0.688 1.00 44.11 H new ATOM 0 HA3 GLY A 54 -11.443 15.764 -0.204 1.00 44.11 H new ATOM 870 N ILE A 55 -8.578 14.272 0.373 1.00 31.23 N ATOM 871 CA ILE A 55 -7.120 14.324 0.210 1.00 72.11 C ATOM 872 C ILE A 55 -6.720 13.711 -1.147 1.00 22.04 C ATOM 873 O ILE A 55 -6.972 12.526 -1.402 1.00 65.34 O ATOM 874 CB ILE A 55 -6.389 13.557 1.380 1.00 42.42 C ATOM 875 CG1 ILE A 55 -6.835 14.119 2.766 1.00 32.41 C ATOM 876 CG2 ILE A 55 -4.844 13.627 1.222 1.00 11.22 C ATOM 877 CD1 ILE A 55 -6.320 13.339 3.958 1.00 60.11 C ATOM 0 H ILE A 55 -8.883 13.601 1.078 1.00 31.23 H new ATOM 0 HA ILE A 55 -6.812 15.369 0.242 1.00 72.11 H new ATOM 0 HB ILE A 55 -6.678 12.507 1.327 1.00 42.42 H new ATOM 0 HG12 ILE A 55 -6.497 15.152 2.851 1.00 32.41 H new ATOM 0 HG13 ILE A 55 -7.924 14.136 2.803 1.00 32.41 H new ATOM 0 HG21 ILE A 55 -4.370 13.090 2.043 1.00 11.22 H new ATOM 0 HG22 ILE A 55 -4.554 13.172 0.275 1.00 11.22 H new ATOM 0 HG23 ILE A 55 -4.524 14.669 1.237 1.00 11.22 H new ATOM 0 HD11 ILE A 55 -6.679 13.801 4.878 1.00 60.11 H new ATOM 0 HD12 ILE A 55 -6.680 12.312 3.903 1.00 60.11 H new ATOM 0 HD13 ILE A 55 -5.230 13.343 3.952 1.00 60.11 H new ATOM 889 N HIS A 56 -6.139 14.544 -2.016 1.00 12.33 N ATOM 890 CA HIS A 56 -5.555 14.102 -3.285 1.00 10.14 C ATOM 891 C HIS A 56 -4.072 13.791 -3.036 1.00 15.13 C ATOM 892 O HIS A 56 -3.298 14.697 -2.774 1.00 2.33 O ATOM 893 CB HIS A 56 -5.737 15.216 -4.349 1.00 43.12 C ATOM 894 CG HIS A 56 -5.114 14.915 -5.687 1.00 15.11 C ATOM 895 ND1 HIS A 56 -5.762 14.230 -6.692 1.00 64.43 N ATOM 896 CD2 HIS A 56 -3.896 15.229 -6.183 1.00 53.25 C ATOM 897 CE1 HIS A 56 -4.971 14.139 -7.740 1.00 32.23 C ATOM 898 NE2 HIS A 56 -3.836 14.737 -7.458 1.00 5.41 N ATOM 0 H HIS A 56 -6.061 15.549 -1.858 1.00 12.33 H new ATOM 0 HA HIS A 56 -6.048 13.206 -3.660 1.00 10.14 H new ATOM 0 HB2 HIS A 56 -6.803 15.393 -4.491 1.00 43.12 H new ATOM 0 HB3 HIS A 56 -5.309 16.141 -3.964 1.00 43.12 H new ATOM 0 HD2 HIS A 56 -3.115 15.768 -5.668 1.00 53.25 H new ATOM 0 HE1 HIS A 56 -5.214 13.654 -8.674 1.00 32.23 H new ATOM 0 HE2 HIS A 56 -3.038 14.821 -8.088 1.00 5.41 H new ATOM 907 N PHE A 57 -3.689 12.515 -3.124 1.00 32.51 N ATOM 908 CA PHE A 57 -2.310 12.051 -2.844 1.00 24.14 C ATOM 909 C PHE A 57 -1.820 11.168 -3.997 1.00 31.43 C ATOM 910 O PHE A 57 -2.544 10.271 -4.457 1.00 11.14 O ATOM 911 CB PHE A 57 -2.248 11.290 -1.488 1.00 11.45 C ATOM 912 CG PHE A 57 -3.246 10.142 -1.365 1.00 5.13 C ATOM 913 CD1 PHE A 57 -2.885 8.830 -1.672 1.00 54.11 C ATOM 914 CD2 PHE A 57 -4.562 10.389 -0.974 1.00 35.21 C ATOM 915 CE1 PHE A 57 -3.802 7.810 -1.595 1.00 10.00 C ATOM 916 CE2 PHE A 57 -5.475 9.369 -0.893 1.00 3.24 C ATOM 917 CZ PHE A 57 -5.093 8.086 -1.205 1.00 23.31 C ATOM 0 H PHE A 57 -4.324 11.763 -3.392 1.00 32.51 H new ATOM 0 HA PHE A 57 -1.652 12.917 -2.764 1.00 24.14 H new ATOM 0 HB2 PHE A 57 -1.241 10.896 -1.352 1.00 11.45 H new ATOM 0 HB3 PHE A 57 -2.426 11.998 -0.679 1.00 11.45 H new ATOM 0 HD1 PHE A 57 -1.871 8.613 -1.974 1.00 54.11 H new ATOM 0 HD2 PHE A 57 -4.866 11.397 -0.732 1.00 35.21 H new ATOM 0 HE1 PHE A 57 -3.512 6.799 -1.839 1.00 10.00 H new ATOM 0 HE2 PHE A 57 -6.490 9.573 -0.585 1.00 3.24 H new ATOM 0 HZ PHE A 57 -5.814 7.285 -1.143 1.00 23.31 H new ATOM 927 N GLU A 58 -0.597 11.433 -4.475 1.00 71.43 N ATOM 928 CA GLU A 58 -0.009 10.721 -5.622 1.00 63.30 C ATOM 929 C GLU A 58 1.362 10.146 -5.249 1.00 63.52 C ATOM 930 O GLU A 58 2.170 10.824 -4.615 1.00 11.35 O ATOM 931 CB GLU A 58 0.104 11.678 -6.837 1.00 63.42 C ATOM 932 CG GLU A 58 -1.257 12.153 -7.390 1.00 53.43 C ATOM 933 CD GLU A 58 -1.139 13.049 -8.630 1.00 53.14 C ATOM 934 OE1 GLU A 58 -1.104 12.513 -9.764 1.00 54.24 O ATOM 935 OE2 GLU A 58 -1.082 14.288 -8.481 1.00 4.10 O ATOM 0 H GLU A 58 0.014 12.147 -4.079 1.00 71.43 H new ATOM 0 HA GLU A 58 -0.659 9.890 -5.895 1.00 63.30 H new ATOM 0 HB2 GLU A 58 0.691 12.549 -6.547 1.00 63.42 H new ATOM 0 HB3 GLU A 58 0.653 11.175 -7.633 1.00 63.42 H new ATOM 0 HG2 GLU A 58 -1.863 11.281 -7.638 1.00 53.43 H new ATOM 0 HG3 GLU A 58 -1.787 12.697 -6.608 1.00 53.43 H new ATOM 942 N VAL A 59 1.591 8.889 -5.651 1.00 74.23 N ATOM 943 CA VAL A 59 2.851 8.175 -5.446 1.00 43.12 C ATOM 944 C VAL A 59 3.966 8.825 -6.297 1.00 52.54 C ATOM 945 O VAL A 59 3.852 8.888 -7.528 1.00 62.43 O ATOM 946 CB VAL A 59 2.681 6.659 -5.827 1.00 2.54 C ATOM 947 CG1 VAL A 59 3.997 5.886 -5.648 1.00 50.50 C ATOM 948 CG2 VAL A 59 1.530 6.010 -5.019 1.00 50.20 C ATOM 0 H VAL A 59 0.889 8.332 -6.138 1.00 74.23 H new ATOM 0 HA VAL A 59 3.131 8.238 -4.394 1.00 43.12 H new ATOM 0 HB VAL A 59 2.416 6.609 -6.883 1.00 2.54 H new ATOM 0 HG11 VAL A 59 3.845 4.841 -5.920 1.00 50.50 H new ATOM 0 HG12 VAL A 59 4.764 6.320 -6.289 1.00 50.50 H new ATOM 0 HG13 VAL A 59 4.317 5.948 -4.608 1.00 50.50 H new ATOM 0 HG21 VAL A 59 1.433 4.962 -5.301 1.00 50.20 H new ATOM 0 HG22 VAL A 59 1.749 6.080 -3.953 1.00 50.20 H new ATOM 0 HG23 VAL A 59 0.597 6.531 -5.233 1.00 50.20 H new ATOM 958 N LYS A 60 5.025 9.315 -5.630 1.00 52.32 N ATOM 959 CA LYS A 60 6.129 10.041 -6.291 1.00 63.11 C ATOM 960 C LYS A 60 7.371 9.147 -6.394 1.00 73.30 C ATOM 961 O LYS A 60 7.887 8.894 -7.488 1.00 30.21 O ATOM 962 CB LYS A 60 6.458 11.335 -5.487 1.00 42.12 C ATOM 963 CG LYS A 60 5.238 12.230 -5.195 1.00 61.12 C ATOM 964 CD LYS A 60 4.526 12.748 -6.466 1.00 30.04 C ATOM 965 CE LYS A 60 5.373 13.747 -7.269 1.00 52.43 C ATOM 966 NZ LYS A 60 4.619 14.312 -8.420 1.00 1.51 N ATOM 0 H LYS A 60 5.142 9.221 -4.621 1.00 52.32 H new ATOM 0 HA LYS A 60 5.821 10.316 -7.300 1.00 63.11 H new ATOM 0 HB2 LYS A 60 6.921 11.053 -4.541 1.00 42.12 H new ATOM 0 HB3 LYS A 60 7.195 11.916 -6.042 1.00 42.12 H new ATOM 0 HG2 LYS A 60 4.523 11.669 -4.593 1.00 61.12 H new ATOM 0 HG3 LYS A 60 5.559 13.083 -4.597 1.00 61.12 H new ATOM 0 HD2 LYS A 60 4.273 11.901 -7.104 1.00 30.04 H new ATOM 0 HD3 LYS A 60 3.588 13.224 -6.181 1.00 30.04 H new ATOM 0 HE2 LYS A 60 5.698 14.556 -6.615 1.00 52.43 H new ATOM 0 HE3 LYS A 60 6.273 13.251 -7.633 1.00 52.43 H new ATOM 0 HZ1 LYS A 60 5.250 14.916 -8.985 1.00 1.51 H new ATOM 0 HZ2 LYS A 60 4.258 13.537 -9.013 1.00 1.51 H new ATOM 0 HZ3 LYS A 60 3.821 14.879 -8.068 1.00 1.51 H new ATOM 980 N ARG A 61 7.810 8.629 -5.242 1.00 33.32 N ATOM 981 CA ARG A 61 9.065 7.876 -5.119 1.00 24.25 C ATOM 982 C ARG A 61 8.792 6.592 -4.346 1.00 24.21 C ATOM 983 O ARG A 61 8.282 6.659 -3.241 1.00 20.40 O ATOM 984 CB ARG A 61 10.110 8.729 -4.349 1.00 2.54 C ATOM 985 CG ARG A 61 11.492 8.047 -4.143 1.00 22.24 C ATOM 986 CD ARG A 61 12.365 8.779 -3.103 1.00 75.35 C ATOM 987 NE ARG A 61 12.555 10.204 -3.426 1.00 64.24 N ATOM 988 CZ ARG A 61 12.906 11.162 -2.552 1.00 45.41 C ATOM 989 NH1 ARG A 61 13.130 10.873 -1.267 1.00 11.12 N ATOM 990 NH2 ARG A 61 13.036 12.414 -2.974 1.00 50.50 N ATOM 0 H ARG A 61 7.302 8.720 -4.362 1.00 33.32 H new ATOM 0 HA ARG A 61 9.454 7.640 -6.110 1.00 24.25 H new ATOM 0 HB2 ARG A 61 10.260 9.665 -4.887 1.00 2.54 H new ATOM 0 HB3 ARG A 61 9.699 8.985 -3.373 1.00 2.54 H new ATOM 0 HG2 ARG A 61 11.340 7.016 -3.824 1.00 22.24 H new ATOM 0 HG3 ARG A 61 12.021 8.011 -5.095 1.00 22.24 H new ATOM 0 HD2 ARG A 61 11.903 8.692 -2.120 1.00 75.35 H new ATOM 0 HD3 ARG A 61 13.338 8.291 -3.042 1.00 75.35 H new ATOM 0 HE ARG A 61 12.408 10.487 -4.395 1.00 64.24 H new ATOM 0 HH11 ARG A 61 13.035 9.913 -0.936 1.00 11.12 H new ATOM 0 HH12 ARG A 61 13.396 11.613 -0.617 1.00 11.12 H new ATOM 0 HH21 ARG A 61 12.870 12.642 -3.954 1.00 50.50 H new ATOM 0 HH22 ARG A 61 13.302 13.148 -2.318 1.00 50.50 H new ATOM 1004 N VAL A 62 9.139 5.434 -4.927 1.00 40.02 N ATOM 1005 CA VAL A 62 9.033 4.128 -4.251 1.00 10.11 C ATOM 1006 C VAL A 62 10.430 3.528 -4.149 1.00 43.15 C ATOM 1007 O VAL A 62 11.070 3.268 -5.174 1.00 64.20 O ATOM 1008 CB VAL A 62 8.086 3.119 -5.014 1.00 22.33 C ATOM 1009 CG1 VAL A 62 7.967 1.762 -4.267 1.00 3.51 C ATOM 1010 CG2 VAL A 62 6.696 3.732 -5.241 1.00 34.12 C ATOM 0 H VAL A 62 9.501 5.374 -5.879 1.00 40.02 H new ATOM 0 HA VAL A 62 8.595 4.293 -3.267 1.00 10.11 H new ATOM 0 HB VAL A 62 8.541 2.924 -5.985 1.00 22.33 H new ATOM 0 HG11 VAL A 62 7.307 1.097 -4.824 1.00 3.51 H new ATOM 0 HG12 VAL A 62 8.953 1.306 -4.181 1.00 3.51 H new ATOM 0 HG13 VAL A 62 7.557 1.930 -3.271 1.00 3.51 H new ATOM 0 HG21 VAL A 62 6.065 3.017 -5.768 1.00 34.12 H new ATOM 0 HG22 VAL A 62 6.244 3.975 -4.279 1.00 34.12 H new ATOM 0 HG23 VAL A 62 6.792 4.640 -5.837 1.00 34.12 H new ATOM 1020 N GLU A 63 10.910 3.349 -2.915 1.00 30.40 N ATOM 1021 CA GLU A 63 12.156 2.633 -2.632 1.00 23.41 C ATOM 1022 C GLU A 63 11.820 1.350 -1.863 1.00 62.23 C ATOM 1023 O GLU A 63 11.412 1.401 -0.693 1.00 42.52 O ATOM 1024 CB GLU A 63 13.121 3.536 -1.828 1.00 24.43 C ATOM 1025 CG GLU A 63 13.560 4.813 -2.577 1.00 41.12 C ATOM 1026 CD GLU A 63 14.536 5.674 -1.768 1.00 54.33 C ATOM 1027 OE1 GLU A 63 15.762 5.469 -1.878 1.00 40.02 O ATOM 1028 OE2 GLU A 63 14.081 6.545 -1.001 1.00 55.11 O ATOM 0 H GLU A 63 10.442 3.699 -2.079 1.00 30.40 H new ATOM 0 HA GLU A 63 12.657 2.368 -3.563 1.00 23.41 H new ATOM 0 HB2 GLU A 63 12.639 3.823 -0.894 1.00 24.43 H new ATOM 0 HB3 GLU A 63 14.008 2.959 -1.565 1.00 24.43 H new ATOM 0 HG2 GLU A 63 14.028 4.532 -3.521 1.00 41.12 H new ATOM 0 HG3 GLU A 63 12.678 5.405 -2.822 1.00 41.12 H new ATOM 1035 N VAL A 64 11.962 0.207 -2.546 1.00 12.41 N ATOM 1036 CA VAL A 64 11.722 -1.114 -1.971 1.00 31.23 C ATOM 1037 C VAL A 64 13.080 -1.713 -1.543 1.00 71.24 C ATOM 1038 O VAL A 64 14.046 -1.726 -2.325 1.00 40.30 O ATOM 1039 CB VAL A 64 10.958 -2.051 -2.990 1.00 43.15 C ATOM 1040 CG1 VAL A 64 11.757 -2.318 -4.289 1.00 44.34 C ATOM 1041 CG2 VAL A 64 10.525 -3.371 -2.326 1.00 50.04 C ATOM 0 H VAL A 64 12.250 0.178 -3.524 1.00 12.41 H new ATOM 0 HA VAL A 64 11.078 -1.027 -1.096 1.00 31.23 H new ATOM 0 HB VAL A 64 10.062 -1.505 -3.285 1.00 43.15 H new ATOM 0 HG11 VAL A 64 11.178 -2.967 -4.946 1.00 44.34 H new ATOM 0 HG12 VAL A 64 11.955 -1.373 -4.795 1.00 44.34 H new ATOM 0 HG13 VAL A 64 12.702 -2.802 -4.042 1.00 44.34 H new ATOM 0 HG21 VAL A 64 10.003 -3.991 -3.055 1.00 50.04 H new ATOM 0 HG22 VAL A 64 11.405 -3.901 -1.963 1.00 50.04 H new ATOM 0 HG23 VAL A 64 9.860 -3.156 -1.489 1.00 50.04 H new ATOM 1051 N THR A 65 13.171 -2.147 -0.283 1.00 72.24 N ATOM 1052 CA THR A 65 14.396 -2.725 0.287 1.00 14.32 C ATOM 1053 C THR A 65 14.025 -3.920 1.172 1.00 32.13 C ATOM 1054 O THR A 65 13.016 -3.887 1.873 1.00 12.50 O ATOM 1055 CB THR A 65 15.211 -1.653 1.098 1.00 13.11 C ATOM 1056 OG1 THR A 65 16.429 -2.225 1.602 1.00 53.44 O ATOM 1057 CG2 THR A 65 14.407 -1.053 2.268 1.00 60.34 C ATOM 0 H THR A 65 12.393 -2.108 0.376 1.00 72.24 H new ATOM 0 HA THR A 65 15.038 -3.065 -0.526 1.00 14.32 H new ATOM 0 HB THR A 65 15.436 -0.844 0.403 1.00 13.11 H new ATOM 0 HG1 THR A 65 16.927 -1.546 2.103 1.00 53.44 H new ATOM 0 HG21 THR A 65 15.020 -0.319 2.792 1.00 60.34 H new ATOM 0 HG22 THR A 65 13.510 -0.568 1.882 1.00 60.34 H new ATOM 0 HG23 THR A 65 14.122 -1.847 2.958 1.00 60.34 H new ATOM 1065 N THR A 66 14.822 -4.989 1.103 1.00 4.11 N ATOM 1066 CA THR A 66 14.587 -6.213 1.876 1.00 30.53 C ATOM 1067 C THR A 66 15.450 -6.207 3.143 1.00 51.33 C ATOM 1068 O THR A 66 16.684 -6.205 3.063 1.00 33.04 O ATOM 1069 CB THR A 66 14.887 -7.475 1.010 1.00 42.35 C ATOM 1070 OG1 THR A 66 16.225 -7.409 0.490 1.00 15.11 O ATOM 1071 CG2 THR A 66 13.892 -7.594 -0.153 1.00 73.32 C ATOM 0 H THR A 66 15.650 -5.031 0.509 1.00 4.11 H new ATOM 0 HA THR A 66 13.538 -6.247 2.169 1.00 30.53 H new ATOM 0 HB THR A 66 14.785 -8.353 1.647 1.00 42.35 H new ATOM 0 HG1 THR A 66 16.820 -7.024 1.166 1.00 15.11 H new ATOM 0 HG21 THR A 66 14.124 -8.482 -0.741 1.00 73.32 H new ATOM 0 HG22 THR A 66 12.879 -7.674 0.242 1.00 73.32 H new ATOM 0 HG23 THR A 66 13.966 -6.710 -0.787 1.00 73.32 H new ATOM 1079 N ASP A 67 14.791 -6.185 4.304 1.00 53.12 N ATOM 1080 CA ASP A 67 15.446 -6.190 5.618 1.00 73.12 C ATOM 1081 C ASP A 67 15.147 -7.544 6.280 1.00 10.25 C ATOM 1082 O ASP A 67 14.104 -7.722 6.925 1.00 32.24 O ATOM 1083 CB ASP A 67 14.924 -4.992 6.456 1.00 23.01 C ATOM 1084 CG ASP A 67 15.645 -4.820 7.806 1.00 32.41 C ATOM 1085 OD1 ASP A 67 15.069 -5.169 8.860 1.00 4.31 O ATOM 1086 OD2 ASP A 67 16.798 -4.346 7.812 1.00 65.25 O ATOM 0 H ASP A 67 13.773 -6.163 4.360 1.00 53.12 H new ATOM 0 HA ASP A 67 16.526 -6.073 5.534 1.00 73.12 H new ATOM 0 HB2 ASP A 67 15.037 -4.077 5.875 1.00 23.01 H new ATOM 0 HB3 ASP A 67 13.858 -5.125 6.638 1.00 23.01 H new ATOM 1091 N GLY A 68 16.057 -8.504 6.046 1.00 44.42 N ATOM 1092 CA GLY A 68 15.848 -9.904 6.395 1.00 25.41 C ATOM 1093 C GLY A 68 14.847 -10.555 5.452 1.00 60.11 C ATOM 1094 O GLY A 68 15.068 -10.583 4.236 1.00 1.55 O ATOM 0 H GLY A 68 16.960 -8.322 5.607 1.00 44.42 H new ATOM 0 HA2 GLY A 68 16.796 -10.439 6.351 1.00 25.41 H new ATOM 0 HA3 GLY A 68 15.488 -9.977 7.421 1.00 25.41 H new ATOM 1098 N ASN A 69 13.735 -11.056 6.009 1.00 13.53 N ATOM 1099 CA ASN A 69 12.613 -11.615 5.223 1.00 42.45 C ATOM 1100 C ASN A 69 11.458 -10.606 5.113 1.00 43.14 C ATOM 1101 O ASN A 69 10.538 -10.801 4.313 1.00 51.21 O ATOM 1102 CB ASN A 69 12.108 -12.940 5.854 1.00 23.05 C ATOM 1103 CG ASN A 69 13.150 -14.056 5.799 1.00 22.44 C ATOM 1104 OD1 ASN A 69 13.201 -14.826 4.839 1.00 65.32 O ATOM 1105 ND2 ASN A 69 13.982 -14.148 6.823 1.00 74.33 N ATOM 0 H ASN A 69 13.583 -11.087 7.017 1.00 13.53 H new ATOM 0 HA ASN A 69 12.982 -11.824 4.219 1.00 42.45 H new ATOM 0 HB2 ASN A 69 11.830 -12.760 6.892 1.00 23.05 H new ATOM 0 HB3 ASN A 69 11.207 -13.265 5.334 1.00 23.05 H new ATOM 0 HD21 ASN A 69 14.697 -14.875 6.835 1.00 74.33 H new ATOM 0 HD22 ASN A 69 13.909 -13.492 7.600 1.00 74.33 H new ATOM 1112 N THR A 70 11.525 -9.527 5.908 1.00 14.21 N ATOM 1113 CA THR A 70 10.509 -8.472 5.927 1.00 44.42 C ATOM 1114 C THR A 70 10.932 -7.334 4.982 1.00 51.33 C ATOM 1115 O THR A 70 11.998 -6.738 5.158 1.00 3.44 O ATOM 1116 CB THR A 70 10.311 -7.915 7.373 1.00 44.43 C ATOM 1117 OG1 THR A 70 10.020 -8.996 8.271 1.00 72.32 O ATOM 1118 CG2 THR A 70 9.180 -6.878 7.447 1.00 12.11 C ATOM 0 H THR A 70 12.293 -9.364 6.559 1.00 14.21 H new ATOM 0 HA THR A 70 9.562 -8.895 5.591 1.00 44.42 H new ATOM 0 HB THR A 70 11.238 -7.419 7.660 1.00 44.43 H new ATOM 0 HG1 THR A 70 9.898 -8.644 9.178 1.00 72.32 H new ATOM 0 HG21 THR A 70 9.081 -6.520 8.472 1.00 12.11 H new ATOM 0 HG22 THR A 70 9.412 -6.039 6.791 1.00 12.11 H new ATOM 0 HG23 THR A 70 8.244 -7.338 7.131 1.00 12.11 H new ATOM 1126 N VAL A 71 10.084 -7.041 3.995 1.00 34.32 N ATOM 1127 CA VAL A 71 10.326 -5.975 3.018 1.00 53.43 C ATOM 1128 C VAL A 71 9.780 -4.650 3.579 1.00 72.33 C ATOM 1129 O VAL A 71 8.729 -4.630 4.204 1.00 43.11 O ATOM 1130 CB VAL A 71 9.648 -6.310 1.638 1.00 54.11 C ATOM 1131 CG1 VAL A 71 9.886 -5.187 0.604 1.00 13.23 C ATOM 1132 CG2 VAL A 71 10.149 -7.670 1.103 1.00 25.21 C ATOM 0 H VAL A 71 9.205 -7.538 3.849 1.00 34.32 H new ATOM 0 HA VAL A 71 11.398 -5.886 2.844 1.00 53.43 H new ATOM 0 HB VAL A 71 8.573 -6.380 1.802 1.00 54.11 H new ATOM 0 HG11 VAL A 71 9.404 -5.451 -0.337 1.00 13.23 H new ATOM 0 HG12 VAL A 71 9.465 -4.253 0.978 1.00 13.23 H new ATOM 0 HG13 VAL A 71 10.957 -5.063 0.441 1.00 13.23 H new ATOM 0 HG21 VAL A 71 9.669 -7.884 0.148 1.00 25.21 H new ATOM 0 HG22 VAL A 71 11.230 -7.631 0.965 1.00 25.21 H new ATOM 0 HG23 VAL A 71 9.902 -8.455 1.818 1.00 25.21 H new ATOM 1142 N ASN A 72 10.532 -3.567 3.375 1.00 65.12 N ATOM 1143 CA ASN A 72 10.170 -2.212 3.802 1.00 12.45 C ATOM 1144 C ASN A 72 10.118 -1.320 2.563 1.00 64.53 C ATOM 1145 O ASN A 72 11.149 -1.073 1.921 1.00 32.41 O ATOM 1146 CB ASN A 72 11.210 -1.682 4.828 1.00 61.00 C ATOM 1147 CG ASN A 72 11.214 -2.485 6.133 1.00 34.10 C ATOM 1148 OD1 ASN A 72 10.542 -2.122 7.097 1.00 45.41 O ATOM 1149 ND2 ASN A 72 11.941 -3.594 6.160 1.00 3.30 N ATOM 0 H ASN A 72 11.432 -3.608 2.897 1.00 65.12 H new ATOM 0 HA ASN A 72 9.196 -2.213 4.290 1.00 12.45 H new ATOM 0 HB2 ASN A 72 12.204 -1.716 4.382 1.00 61.00 H new ATOM 0 HB3 ASN A 72 10.995 -0.637 5.050 1.00 61.00 H new ATOM 0 HD21 ASN A 72 11.954 -4.175 6.998 1.00 3.30 H new ATOM 0 HD22 ASN A 72 12.487 -3.866 5.342 1.00 3.30 H new ATOM 1156 N VAL A 73 8.907 -0.898 2.194 1.00 1.40 N ATOM 1157 CA VAL A 73 8.677 0.026 1.083 1.00 1.10 C ATOM 1158 C VAL A 73 8.511 1.442 1.650 1.00 12.35 C ATOM 1159 O VAL A 73 7.468 1.775 2.227 1.00 3.13 O ATOM 1160 CB VAL A 73 7.412 -0.395 0.237 1.00 63.45 C ATOM 1161 CG1 VAL A 73 7.139 0.615 -0.904 1.00 24.13 C ATOM 1162 CG2 VAL A 73 7.583 -1.833 -0.313 1.00 3.51 C ATOM 0 H VAL A 73 8.050 -1.191 2.663 1.00 1.40 H new ATOM 0 HA VAL A 73 9.533 -0.002 0.408 1.00 1.10 H new ATOM 0 HB VAL A 73 6.543 -0.384 0.895 1.00 63.45 H new ATOM 0 HG11 VAL A 73 6.262 0.298 -1.469 1.00 24.13 H new ATOM 0 HG12 VAL A 73 6.960 1.603 -0.480 1.00 24.13 H new ATOM 0 HG13 VAL A 73 8.003 0.656 -1.568 1.00 24.13 H new ATOM 0 HG21 VAL A 73 6.702 -2.108 -0.894 1.00 3.51 H new ATOM 0 HG22 VAL A 73 8.466 -1.876 -0.951 1.00 3.51 H new ATOM 0 HG23 VAL A 73 7.701 -2.529 0.518 1.00 3.51 H new ATOM 1172 N THR A 74 9.557 2.258 1.501 1.00 33.42 N ATOM 1173 CA THR A 74 9.534 3.672 1.868 1.00 41.42 C ATOM 1174 C THR A 74 9.135 4.476 0.623 1.00 32.33 C ATOM 1175 O THR A 74 9.921 4.613 -0.325 1.00 30.13 O ATOM 1176 CB THR A 74 10.927 4.124 2.418 1.00 52.54 C ATOM 1177 OG1 THR A 74 11.284 3.296 3.541 1.00 70.33 O ATOM 1178 CG2 THR A 74 10.947 5.605 2.849 1.00 3.51 C ATOM 0 H THR A 74 10.451 1.951 1.118 1.00 33.42 H new ATOM 0 HA THR A 74 8.810 3.846 2.664 1.00 41.42 H new ATOM 0 HB THR A 74 11.648 4.014 1.608 1.00 52.54 H new ATOM 0 HG1 THR A 74 11.012 3.738 4.373 1.00 70.33 H new ATOM 0 HG21 THR A 74 11.938 5.862 3.222 1.00 3.51 H new ATOM 0 HG22 THR A 74 10.706 6.236 1.994 1.00 3.51 H new ATOM 0 HG23 THR A 74 10.211 5.765 3.637 1.00 3.51 H new ATOM 1186 N VAL A 75 7.890 4.959 0.618 1.00 63.04 N ATOM 1187 CA VAL A 75 7.305 5.682 -0.512 1.00 14.43 C ATOM 1188 C VAL A 75 6.924 7.114 -0.094 1.00 73.12 C ATOM 1189 O VAL A 75 6.193 7.323 0.879 1.00 25.31 O ATOM 1190 CB VAL A 75 6.075 4.900 -1.125 1.00 74.52 C ATOM 1191 CG1 VAL A 75 5.073 4.462 -0.046 1.00 61.14 C ATOM 1192 CG2 VAL A 75 5.374 5.704 -2.249 1.00 0.53 C ATOM 0 H VAL A 75 7.253 4.857 1.408 1.00 63.04 H new ATOM 0 HA VAL A 75 8.056 5.752 -1.299 1.00 14.43 H new ATOM 0 HB VAL A 75 6.481 3.995 -1.578 1.00 74.52 H new ATOM 0 HG11 VAL A 75 4.245 3.929 -0.513 1.00 61.14 H new ATOM 0 HG12 VAL A 75 5.571 3.806 0.668 1.00 61.14 H new ATOM 0 HG13 VAL A 75 4.691 5.341 0.474 1.00 61.14 H new ATOM 0 HG21 VAL A 75 4.536 5.128 -2.640 1.00 0.53 H new ATOM 0 HG22 VAL A 75 5.009 6.649 -1.847 1.00 0.53 H new ATOM 0 HG23 VAL A 75 6.084 5.902 -3.052 1.00 0.53 H new ATOM 1202 N GLU A 76 7.469 8.094 -0.833 1.00 1.42 N ATOM 1203 CA GLU A 76 7.134 9.507 -0.682 1.00 31.01 C ATOM 1204 C GLU A 76 5.908 9.807 -1.555 1.00 12.21 C ATOM 1205 O GLU A 76 5.927 9.548 -2.765 1.00 24.42 O ATOM 1206 CB GLU A 76 8.344 10.390 -1.105 1.00 62.20 C ATOM 1207 CG GLU A 76 8.145 11.906 -0.891 1.00 62.51 C ATOM 1208 CD GLU A 76 7.987 12.296 0.593 1.00 61.22 C ATOM 1209 OE1 GLU A 76 9.010 12.538 1.274 1.00 52.24 O ATOM 1210 OE2 GLU A 76 6.846 12.350 1.090 1.00 42.12 O ATOM 0 H GLU A 76 8.163 7.918 -1.560 1.00 1.42 H new ATOM 0 HA GLU A 76 6.905 9.733 0.359 1.00 31.01 H new ATOM 0 HB2 GLU A 76 9.223 10.070 -0.545 1.00 62.20 H new ATOM 0 HB3 GLU A 76 8.556 10.211 -2.159 1.00 62.20 H new ATOM 0 HG2 GLU A 76 8.997 12.440 -1.311 1.00 62.51 H new ATOM 0 HG3 GLU A 76 7.262 12.231 -1.441 1.00 62.51 H new ATOM 1217 N LEU A 77 4.832 10.300 -0.930 1.00 2.40 N ATOM 1218 CA LEU A 77 3.610 10.732 -1.637 1.00 41.21 C ATOM 1219 C LEU A 77 3.526 12.261 -1.616 1.00 25.20 C ATOM 1220 O LEU A 77 4.187 12.907 -0.812 1.00 30.23 O ATOM 1221 CB LEU A 77 2.316 10.110 -1.025 1.00 23.22 C ATOM 1222 CG LEU A 77 2.129 8.562 -1.202 1.00 11.01 C ATOM 1223 CD1 LEU A 77 3.068 7.749 -0.300 1.00 20.14 C ATOM 1224 CD2 LEU A 77 0.657 8.166 -0.973 1.00 14.55 C ATOM 0 H LEU A 77 4.779 10.413 0.082 1.00 2.40 H new ATOM 0 HA LEU A 77 3.675 10.375 -2.665 1.00 41.21 H new ATOM 0 HB2 LEU A 77 2.301 10.335 0.041 1.00 23.22 H new ATOM 0 HB3 LEU A 77 1.455 10.610 -1.468 1.00 23.22 H new ATOM 0 HG LEU A 77 2.400 8.320 -2.230 1.00 11.01 H new ATOM 0 HD11 LEU A 77 2.897 6.685 -0.462 1.00 20.14 H new ATOM 0 HD12 LEU A 77 4.103 7.991 -0.540 1.00 20.14 H new ATOM 0 HD13 LEU A 77 2.871 7.993 0.744 1.00 20.14 H new ATOM 0 HD21 LEU A 77 0.546 7.089 -1.100 1.00 14.55 H new ATOM 0 HD22 LEU A 77 0.358 8.445 0.037 1.00 14.55 H new ATOM 0 HD23 LEU A 77 0.025 8.683 -1.694 1.00 14.55 H new ATOM 1236 N GLU A 78 2.728 12.811 -2.527 1.00 31.02 N ATOM 1237 CA GLU A 78 2.459 14.250 -2.638 1.00 2.44 C ATOM 1238 C GLU A 78 0.971 14.478 -2.374 1.00 71.14 C ATOM 1239 O GLU A 78 0.133 14.157 -3.227 1.00 12.43 O ATOM 1240 CB GLU A 78 2.871 14.729 -4.058 1.00 62.53 C ATOM 1241 CG GLU A 78 2.455 16.147 -4.456 1.00 63.10 C ATOM 1242 CD GLU A 78 2.836 16.506 -5.905 1.00 20.20 C ATOM 1243 OE1 GLU A 78 3.678 17.410 -6.119 1.00 32.24 O ATOM 1244 OE2 GLU A 78 2.295 15.873 -6.844 1.00 74.22 O ATOM 0 H GLU A 78 2.236 12.258 -3.229 1.00 31.02 H new ATOM 0 HA GLU A 78 3.034 14.822 -1.910 1.00 2.44 H new ATOM 0 HB2 GLU A 78 3.956 14.658 -4.139 1.00 62.53 H new ATOM 0 HB3 GLU A 78 2.451 14.035 -4.786 1.00 62.53 H new ATOM 0 HG2 GLU A 78 1.377 16.250 -4.334 1.00 63.10 H new ATOM 0 HG3 GLU A 78 2.922 16.860 -3.777 1.00 63.10 H new ATOM 1251 N GLU A 79 0.639 14.994 -1.181 1.00 11.14 N ATOM 1252 CA GLU A 79 -0.755 15.226 -0.784 1.00 14.53 C ATOM 1253 C GLU A 79 -1.110 16.713 -0.963 1.00 22.44 C ATOM 1254 O GLU A 79 -0.728 17.554 -0.154 1.00 10.12 O ATOM 1255 CB GLU A 79 -1.000 14.769 0.686 1.00 70.23 C ATOM 1256 CG GLU A 79 -0.500 13.341 1.012 1.00 34.01 C ATOM 1257 CD GLU A 79 -1.141 12.759 2.283 1.00 51.40 C ATOM 1258 OE1 GLU A 79 -1.946 11.806 2.176 1.00 1.21 O ATOM 1259 OE2 GLU A 79 -0.862 13.270 3.390 1.00 64.43 O ATOM 0 H GLU A 79 1.322 15.259 -0.472 1.00 11.14 H new ATOM 0 HA GLU A 79 -1.404 14.631 -1.427 1.00 14.53 H new ATOM 0 HB2 GLU A 79 -0.509 15.473 1.358 1.00 70.23 H new ATOM 0 HB3 GLU A 79 -2.068 14.822 0.895 1.00 70.23 H new ATOM 0 HG2 GLU A 79 -0.716 12.685 0.169 1.00 34.01 H new ATOM 0 HG3 GLU A 79 0.583 13.359 1.133 1.00 34.01 H new ATOM 1266 N THR A 80 -1.842 17.008 -2.039 1.00 53.43 N ATOM 1267 CA THR A 80 -2.403 18.324 -2.297 1.00 53.24 C ATOM 1268 C THR A 80 -3.801 18.363 -1.647 1.00 65.31 C ATOM 1269 O THR A 80 -4.745 17.736 -2.145 1.00 31.05 O ATOM 1270 CB THR A 80 -2.485 18.583 -3.839 1.00 34.11 C ATOM 1271 OG1 THR A 80 -1.194 18.338 -4.428 1.00 30.42 O ATOM 1272 CG2 THR A 80 -2.926 20.023 -4.167 1.00 2.32 C ATOM 0 H THR A 80 -2.062 16.324 -2.763 1.00 53.43 H new ATOM 0 HA THR A 80 -1.775 19.108 -1.874 1.00 53.24 H new ATOM 0 HB THR A 80 -3.234 17.906 -4.249 1.00 34.11 H new ATOM 0 HG1 THR A 80 -1.240 18.497 -5.394 1.00 30.42 H new ATOM 0 HG21 THR A 80 -2.968 20.153 -5.248 1.00 2.32 H new ATOM 0 HG22 THR A 80 -3.912 20.207 -3.741 1.00 2.32 H new ATOM 0 HG23 THR A 80 -2.210 20.728 -3.744 1.00 2.32 H new ATOM 1280 N THR A 81 -3.899 19.052 -0.501 1.00 74.53 N ATOM 1281 CA THR A 81 -5.126 19.118 0.306 1.00 54.01 C ATOM 1282 C THR A 81 -5.411 20.576 0.727 1.00 34.14 C ATOM 1283 O THR A 81 -4.544 21.251 1.303 1.00 2.45 O ATOM 1284 CB THR A 81 -5.040 18.154 1.544 1.00 14.34 C ATOM 1285 OG1 THR A 81 -6.204 18.306 2.373 1.00 61.53 O ATOM 1286 CG2 THR A 81 -3.760 18.359 2.385 1.00 31.22 C ATOM 0 H THR A 81 -3.123 19.583 -0.105 1.00 74.53 H new ATOM 0 HA THR A 81 -5.964 18.778 -0.302 1.00 54.01 H new ATOM 0 HB THR A 81 -4.997 17.140 1.147 1.00 14.34 H new ATOM 0 HG1 THR A 81 -6.141 17.700 3.140 1.00 61.53 H new ATOM 0 HG21 THR A 81 -3.761 17.664 3.224 1.00 31.22 H new ATOM 0 HG22 THR A 81 -2.883 18.176 1.764 1.00 31.22 H new ATOM 0 HG23 THR A 81 -3.732 19.382 2.761 1.00 31.22 H new ATOM 1294 N GLY A 82 -6.617 21.068 0.356 1.00 60.15 N ATOM 1295 CA GLY A 82 -7.066 22.430 0.675 1.00 12.12 C ATOM 1296 C GLY A 82 -6.399 23.520 -0.169 1.00 44.01 C ATOM 1297 O GLY A 82 -6.706 24.701 -0.001 1.00 75.20 O ATOM 0 H GLY A 82 -7.301 20.526 -0.173 1.00 60.15 H new ATOM 0 HA2 GLY A 82 -8.146 22.487 0.536 1.00 12.12 H new ATOM 0 HA3 GLY A 82 -6.869 22.629 1.728 1.00 12.12 H new ATOM 1301 N GLY A 83 -5.503 23.113 -1.088 1.00 54.10 N ATOM 1302 CA GLY A 83 -4.695 24.028 -1.897 1.00 1.15 C ATOM 1303 C GLY A 83 -3.209 23.807 -1.672 1.00 5.41 C ATOM 1304 O GLY A 83 -2.408 23.894 -2.613 1.00 2.04 O ATOM 0 H GLY A 83 -5.322 22.129 -1.287 1.00 54.10 H new ATOM 0 HA2 GLY A 83 -4.929 23.886 -2.952 1.00 1.15 H new ATOM 0 HA3 GLY A 83 -4.952 25.058 -1.649 1.00 1.15 H new ATOM 1308 N THR A 84 -2.851 23.489 -0.419 1.00 14.22 N ATOM 1309 CA THR A 84 -1.461 23.320 0.007 1.00 72.45 C ATOM 1310 C THR A 84 -0.965 21.889 -0.287 1.00 74.31 C ATOM 1311 O THR A 84 -1.589 20.907 0.142 1.00 24.31 O ATOM 1312 CB THR A 84 -1.320 23.642 1.534 1.00 35.15 C ATOM 1313 OG1 THR A 84 -2.265 22.873 2.305 1.00 54.22 O ATOM 1314 CG2 THR A 84 -1.528 25.140 1.829 1.00 71.00 C ATOM 0 H THR A 84 -3.527 23.341 0.331 1.00 14.22 H new ATOM 0 HA THR A 84 -0.843 24.017 -0.559 1.00 72.45 H new ATOM 0 HB THR A 84 -0.303 23.373 1.821 1.00 35.15 H new ATOM 0 HG1 THR A 84 -2.491 22.052 1.820 1.00 54.22 H new ATOM 0 HG21 THR A 84 -1.421 25.318 2.899 1.00 71.00 H new ATOM 0 HG22 THR A 84 -0.784 25.724 1.288 1.00 71.00 H new ATOM 0 HG23 THR A 84 -2.526 25.439 1.509 1.00 71.00 H new ATOM 1322 N THR A 85 0.150 21.782 -1.029 1.00 74.44 N ATOM 1323 CA THR A 85 0.770 20.505 -1.383 1.00 3.04 C ATOM 1324 C THR A 85 1.862 20.153 -0.356 1.00 11.32 C ATOM 1325 O THR A 85 2.933 20.769 -0.339 1.00 0.40 O ATOM 1326 CB THR A 85 1.377 20.594 -2.822 1.00 23.05 C ATOM 1327 OG1 THR A 85 0.348 20.924 -3.765 1.00 24.51 O ATOM 1328 CG2 THR A 85 2.050 19.295 -3.258 1.00 44.43 C ATOM 0 H THR A 85 0.647 22.591 -1.401 1.00 74.44 H new ATOM 0 HA THR A 85 0.015 19.719 -1.371 1.00 3.04 H new ATOM 0 HB THR A 85 2.140 21.372 -2.795 1.00 23.05 H new ATOM 0 HG1 THR A 85 -0.157 20.116 -3.994 1.00 24.51 H new ATOM 0 HG21 THR A 85 2.453 19.414 -4.264 1.00 44.43 H new ATOM 0 HG22 THR A 85 2.859 19.055 -2.568 1.00 44.43 H new ATOM 0 HG23 THR A 85 1.318 18.487 -3.254 1.00 44.43 H new ATOM 1336 N THR A 86 1.565 19.179 0.509 1.00 35.52 N ATOM 1337 CA THR A 86 2.498 18.657 1.511 1.00 45.22 C ATOM 1338 C THR A 86 2.826 17.194 1.175 1.00 72.31 C ATOM 1339 O THR A 86 1.914 16.371 1.062 1.00 45.22 O ATOM 1340 CB THR A 86 1.875 18.745 2.948 1.00 23.21 C ATOM 1341 OG1 THR A 86 1.430 20.088 3.196 1.00 62.40 O ATOM 1342 CG2 THR A 86 2.877 18.336 4.047 1.00 51.22 C ATOM 0 H THR A 86 0.653 18.723 0.533 1.00 35.52 H new ATOM 0 HA THR A 86 3.408 19.256 1.496 1.00 45.22 H new ATOM 0 HB THR A 86 1.038 18.048 2.983 1.00 23.21 H new ATOM 0 HG1 THR A 86 1.039 20.143 4.093 1.00 62.40 H new ATOM 0 HG21 THR A 86 2.398 18.414 5.023 1.00 51.22 H new ATOM 0 HG22 THR A 86 3.199 17.308 3.882 1.00 51.22 H new ATOM 0 HG23 THR A 86 3.743 18.997 4.014 1.00 51.22 H new ATOM 1350 N ASN A 87 4.120 16.882 1.012 1.00 52.31 N ATOM 1351 CA ASN A 87 4.584 15.510 0.772 1.00 2.13 C ATOM 1352 C ASN A 87 4.599 14.746 2.101 1.00 75.30 C ATOM 1353 O ASN A 87 5.140 15.253 3.085 1.00 21.43 O ATOM 1354 CB ASN A 87 6.000 15.509 0.135 1.00 13.31 C ATOM 1355 CG ASN A 87 6.032 16.113 -1.268 1.00 44.41 C ATOM 1356 OD1 ASN A 87 6.220 17.317 -1.431 1.00 50.21 O ATOM 1357 ND2 ASN A 87 5.850 15.284 -2.286 1.00 3.31 N ATOM 0 H ASN A 87 4.871 17.572 1.043 1.00 52.31 H new ATOM 0 HA ASN A 87 3.903 15.021 0.075 1.00 2.13 H new ATOM 0 HB2 ASN A 87 6.681 16.066 0.779 1.00 13.31 H new ATOM 0 HB3 ASN A 87 6.370 14.485 0.091 1.00 13.31 H new ATOM 0 HD21 ASN A 87 5.863 15.640 -3.242 1.00 3.31 H new ATOM 0 HD22 ASN A 87 5.697 14.290 -2.113 1.00 3.31 H new ATOM 1364 N THR A 88 3.996 13.543 2.116 1.00 42.23 N ATOM 1365 CA THR A 88 3.904 12.682 3.305 1.00 12.23 C ATOM 1366 C THR A 88 4.436 11.286 2.963 1.00 42.15 C ATOM 1367 O THR A 88 3.975 10.660 1.997 1.00 42.33 O ATOM 1368 CB THR A 88 2.430 12.598 3.820 1.00 20.53 C ATOM 1369 OG1 THR A 88 1.961 13.927 4.101 1.00 2.35 O ATOM 1370 CG2 THR A 88 2.289 11.734 5.091 1.00 52.31 C ATOM 0 H THR A 88 3.554 13.138 1.291 1.00 42.23 H new ATOM 0 HA THR A 88 4.509 13.113 4.103 1.00 12.23 H new ATOM 0 HB THR A 88 1.836 12.124 3.039 1.00 20.53 H new ATOM 0 HG1 THR A 88 0.997 13.976 3.932 1.00 2.35 H new ATOM 0 HG21 THR A 88 1.245 11.712 5.402 1.00 52.31 H new ATOM 0 HG22 THR A 88 2.626 10.719 4.880 1.00 52.31 H new ATOM 0 HG23 THR A 88 2.897 12.160 5.890 1.00 52.31 H new ATOM 1378 N THR A 89 5.405 10.810 3.761 1.00 40.44 N ATOM 1379 CA THR A 89 6.070 9.532 3.525 1.00 62.30 C ATOM 1380 C THR A 89 5.289 8.415 4.235 1.00 21.32 C ATOM 1381 O THR A 89 5.105 8.455 5.448 1.00 34.52 O ATOM 1382 CB THR A 89 7.549 9.557 4.046 1.00 3.50 C ATOM 1383 OG1 THR A 89 8.212 10.748 3.589 1.00 11.01 O ATOM 1384 CG2 THR A 89 8.347 8.321 3.575 1.00 63.24 C ATOM 0 H THR A 89 5.745 11.305 4.586 1.00 40.44 H new ATOM 0 HA THR A 89 6.093 9.347 2.451 1.00 62.30 H new ATOM 0 HB THR A 89 7.509 9.543 5.135 1.00 3.50 H new ATOM 0 HG1 THR A 89 9.134 10.756 3.920 1.00 11.01 H new ATOM 0 HG21 THR A 89 9.366 8.378 3.958 1.00 63.24 H new ATOM 0 HG22 THR A 89 7.869 7.415 3.949 1.00 63.24 H new ATOM 0 HG23 THR A 89 8.370 8.296 2.486 1.00 63.24 H new ATOM 1392 N TYR A 90 4.828 7.433 3.470 1.00 4.31 N ATOM 1393 CA TYR A 90 4.195 6.226 4.006 1.00 4.14 C ATOM 1394 C TYR A 90 5.223 5.101 3.924 1.00 70.33 C ATOM 1395 O TYR A 90 5.909 4.955 2.913 1.00 33.22 O ATOM 1396 CB TYR A 90 2.926 5.852 3.197 1.00 61.42 C ATOM 1397 CG TYR A 90 1.722 6.801 3.362 1.00 33.10 C ATOM 1398 CD1 TYR A 90 1.777 8.139 2.958 1.00 63.21 C ATOM 1399 CD2 TYR A 90 0.513 6.343 3.891 1.00 55.34 C ATOM 1400 CE1 TYR A 90 0.679 8.976 3.074 1.00 25.14 C ATOM 1401 CE2 TYR A 90 -0.582 7.175 4.010 1.00 21.11 C ATOM 1402 CZ TYR A 90 -0.498 8.486 3.601 1.00 20.22 C ATOM 1403 OH TYR A 90 -1.599 9.307 3.730 1.00 22.32 O ATOM 0 H TYR A 90 4.882 7.448 2.452 1.00 4.31 H new ATOM 0 HA TYR A 90 3.880 6.395 5.036 1.00 4.14 H new ATOM 0 HB2 TYR A 90 3.190 5.811 2.140 1.00 61.42 H new ATOM 0 HB3 TYR A 90 2.616 4.848 3.487 1.00 61.42 H new ATOM 0 HD1 TYR A 90 2.696 8.529 2.546 1.00 63.21 H new ATOM 0 HD2 TYR A 90 0.433 5.316 4.214 1.00 55.34 H new ATOM 0 HE1 TYR A 90 0.744 10.005 2.754 1.00 25.14 H new ATOM 0 HE2 TYR A 90 -1.505 6.797 4.424 1.00 21.11 H new ATOM 0 HH TYR A 90 -1.508 10.074 3.126 1.00 22.32 H new ATOM 1413 N GLU A 91 5.373 4.350 5.010 1.00 74.15 N ATOM 1414 CA GLU A 91 6.299 3.212 5.070 1.00 2.42 C ATOM 1415 C GLU A 91 5.499 1.936 5.307 1.00 70.13 C ATOM 1416 O GLU A 91 4.977 1.720 6.400 1.00 53.52 O ATOM 1417 CB GLU A 91 7.376 3.440 6.159 1.00 34.32 C ATOM 1418 CG GLU A 91 8.310 4.629 5.850 1.00 0.24 C ATOM 1419 CD GLU A 91 9.476 4.750 6.830 1.00 65.53 C ATOM 1420 OE1 GLU A 91 10.618 4.379 6.473 1.00 3.13 O ATOM 1421 OE2 GLU A 91 9.255 5.210 7.966 1.00 71.25 O ATOM 0 H GLU A 91 4.858 4.509 5.876 1.00 74.15 H new ATOM 0 HA GLU A 91 6.831 3.113 4.124 1.00 2.42 H new ATOM 0 HB2 GLU A 91 6.885 3.612 7.117 1.00 34.32 H new ATOM 0 HB3 GLU A 91 7.974 2.535 6.265 1.00 34.32 H new ATOM 0 HG2 GLU A 91 8.703 4.520 4.839 1.00 0.24 H new ATOM 0 HG3 GLU A 91 7.731 5.552 5.869 1.00 0.24 H new ATOM 1428 N LEU A 92 5.378 1.131 4.239 1.00 42.43 N ATOM 1429 CA LEU A 92 4.614 -0.114 4.230 1.00 22.30 C ATOM 1430 C LEU A 92 5.583 -1.277 4.462 1.00 63.33 C ATOM 1431 O LEU A 92 6.369 -1.627 3.580 1.00 51.44 O ATOM 1432 CB LEU A 92 3.855 -0.287 2.880 1.00 61.42 C ATOM 1433 CG LEU A 92 2.774 0.796 2.537 1.00 25.02 C ATOM 1434 CD1 LEU A 92 3.404 2.147 2.164 1.00 15.23 C ATOM 1435 CD2 LEU A 92 1.820 0.307 1.432 1.00 25.43 C ATOM 0 H LEU A 92 5.820 1.337 3.343 1.00 42.43 H new ATOM 0 HA LEU A 92 3.866 -0.094 5.023 1.00 22.30 H new ATOM 0 HB2 LEU A 92 4.590 -0.301 2.075 1.00 61.42 H new ATOM 0 HB3 LEU A 92 3.370 -1.263 2.885 1.00 61.42 H new ATOM 0 HG LEU A 92 2.188 0.954 3.443 1.00 25.02 H new ATOM 0 HD11 LEU A 92 2.616 2.865 1.935 1.00 15.23 H new ATOM 0 HD12 LEU A 92 3.998 2.515 3.001 1.00 15.23 H new ATOM 0 HD13 LEU A 92 4.045 2.021 1.292 1.00 15.23 H new ATOM 0 HD21 LEU A 92 1.083 1.081 1.218 1.00 25.43 H new ATOM 0 HD22 LEU A 92 2.390 0.090 0.529 1.00 25.43 H new ATOM 0 HD23 LEU A 92 1.310 -0.597 1.765 1.00 25.43 H new ATOM 1447 N ARG A 93 5.528 -1.836 5.664 1.00 4.20 N ATOM 1448 CA ARG A 93 6.415 -2.908 6.100 1.00 60.33 C ATOM 1449 C ARG A 93 5.703 -4.254 5.888 1.00 54.54 C ATOM 1450 O ARG A 93 4.857 -4.655 6.688 1.00 3.12 O ATOM 1451 CB ARG A 93 6.784 -2.673 7.591 1.00 71.40 C ATOM 1452 CG ARG A 93 7.806 -3.662 8.173 1.00 61.12 C ATOM 1453 CD ARG A 93 8.094 -3.400 9.662 1.00 61.31 C ATOM 1454 NE ARG A 93 9.121 -4.313 10.193 1.00 63.41 N ATOM 1455 CZ ARG A 93 8.886 -5.477 10.818 1.00 4.14 C ATOM 1456 NH1 ARG A 93 7.646 -5.915 11.019 1.00 70.31 N ATOM 1457 NH2 ARG A 93 9.908 -6.202 11.233 1.00 10.43 N ATOM 0 H ARG A 93 4.855 -1.553 6.376 1.00 4.20 H new ATOM 0 HA ARG A 93 7.339 -2.920 5.521 1.00 60.33 H new ATOM 0 HB2 ARG A 93 7.179 -1.662 7.697 1.00 71.40 H new ATOM 0 HB3 ARG A 93 5.873 -2.723 8.187 1.00 71.40 H new ATOM 0 HG2 ARG A 93 7.433 -4.679 8.051 1.00 61.12 H new ATOM 0 HG3 ARG A 93 8.736 -3.594 7.608 1.00 61.12 H new ATOM 0 HD2 ARG A 93 8.423 -2.369 9.792 1.00 61.31 H new ATOM 0 HD3 ARG A 93 7.174 -3.516 10.235 1.00 61.31 H new ATOM 0 HE ARG A 93 10.096 -4.036 10.075 1.00 63.41 H new ATOM 0 HH11 ARG A 93 6.851 -5.363 10.696 1.00 70.31 H new ATOM 0 HH12 ARG A 93 7.490 -6.803 11.496 1.00 70.31 H new ATOM 0 HH21 ARG A 93 10.862 -5.875 11.077 1.00 10.43 H new ATOM 0 HH22 ARG A 93 9.744 -7.089 11.710 1.00 10.43 H new ATOM 1471 N PHE A 94 6.056 -4.929 4.791 1.00 74.55 N ATOM 1472 CA PHE A 94 5.436 -6.197 4.399 1.00 24.14 C ATOM 1473 C PHE A 94 6.150 -7.355 5.109 1.00 74.01 C ATOM 1474 O PHE A 94 7.292 -7.702 4.783 1.00 22.21 O ATOM 1475 CB PHE A 94 5.517 -6.360 2.858 1.00 64.04 C ATOM 1476 CG PHE A 94 4.644 -5.366 2.096 1.00 31.34 C ATOM 1477 CD1 PHE A 94 5.135 -4.114 1.725 1.00 23.50 C ATOM 1478 CD2 PHE A 94 3.333 -5.688 1.746 1.00 4.23 C ATOM 1479 CE1 PHE A 94 4.338 -3.216 1.041 1.00 11.10 C ATOM 1480 CE2 PHE A 94 2.541 -4.788 1.063 1.00 51.41 C ATOM 1481 CZ PHE A 94 3.045 -3.553 0.705 1.00 42.01 C ATOM 0 H PHE A 94 6.781 -4.611 4.148 1.00 74.55 H new ATOM 0 HA PHE A 94 4.386 -6.204 4.692 1.00 24.14 H new ATOM 0 HB2 PHE A 94 6.553 -6.239 2.541 1.00 64.04 H new ATOM 0 HB3 PHE A 94 5.218 -7.374 2.591 1.00 64.04 H new ATOM 0 HD1 PHE A 94 6.150 -3.843 1.975 1.00 23.50 H new ATOM 0 HD2 PHE A 94 2.932 -6.655 2.013 1.00 4.23 H new ATOM 0 HE1 PHE A 94 4.730 -2.247 0.769 1.00 11.10 H new ATOM 0 HE2 PHE A 94 1.525 -5.050 0.808 1.00 51.41 H new ATOM 0 HZ PHE A 94 2.427 -2.853 0.163 1.00 42.01 H new ATOM 1491 N GLU A 95 5.446 -7.936 6.088 1.00 51.50 N ATOM 1492 CA GLU A 95 5.965 -9.011 6.931 1.00 43.33 C ATOM 1493 C GLU A 95 5.407 -10.350 6.431 1.00 32.22 C ATOM 1494 O GLU A 95 4.182 -10.522 6.303 1.00 61.14 O ATOM 1495 CB GLU A 95 5.585 -8.751 8.409 1.00 55.21 C ATOM 1496 CG GLU A 95 6.258 -9.698 9.426 1.00 53.25 C ATOM 1497 CD GLU A 95 5.848 -9.413 10.881 1.00 73.12 C ATOM 1498 OE1 GLU A 95 6.066 -8.275 11.357 1.00 3.53 O ATOM 1499 OE2 GLU A 95 5.329 -10.326 11.562 1.00 44.53 O ATOM 0 H GLU A 95 4.489 -7.667 6.317 1.00 51.50 H new ATOM 0 HA GLU A 95 7.053 -9.046 6.872 1.00 43.33 H new ATOM 0 HB2 GLU A 95 5.847 -7.724 8.662 1.00 55.21 H new ATOM 0 HB3 GLU A 95 4.503 -8.839 8.512 1.00 55.21 H new ATOM 0 HG2 GLU A 95 6.002 -10.728 9.178 1.00 53.25 H new ATOM 0 HG3 GLU A 95 7.341 -9.608 9.336 1.00 53.25 H new ATOM 1506 N VAL A 96 6.319 -11.276 6.125 1.00 54.45 N ATOM 1507 CA VAL A 96 5.980 -12.571 5.528 1.00 3.45 C ATOM 1508 C VAL A 96 5.647 -13.618 6.603 1.00 65.52 C ATOM 1509 O VAL A 96 6.170 -13.570 7.722 1.00 31.52 O ATOM 1510 CB VAL A 96 7.145 -13.090 4.608 1.00 72.34 C ATOM 1511 CG1 VAL A 96 7.433 -12.079 3.484 1.00 54.45 C ATOM 1512 CG2 VAL A 96 8.431 -13.391 5.415 1.00 63.10 C ATOM 0 H VAL A 96 7.318 -11.148 6.285 1.00 54.45 H new ATOM 0 HA VAL A 96 5.092 -12.421 4.915 1.00 3.45 H new ATOM 0 HB VAL A 96 6.817 -14.029 4.162 1.00 72.34 H new ATOM 0 HG11 VAL A 96 8.242 -12.453 2.856 1.00 54.45 H new ATOM 0 HG12 VAL A 96 6.537 -11.943 2.878 1.00 54.45 H new ATOM 0 HG13 VAL A 96 7.725 -11.123 3.920 1.00 54.45 H new ATOM 0 HG21 VAL A 96 9.209 -13.747 4.740 1.00 63.10 H new ATOM 0 HG22 VAL A 96 8.770 -12.482 5.912 1.00 63.10 H new ATOM 0 HG23 VAL A 96 8.221 -14.156 6.162 1.00 63.10 H new ATOM 1522 N ASP A 97 4.732 -14.521 6.244 1.00 52.11 N ATOM 1523 CA ASP A 97 4.438 -15.752 6.987 1.00 72.05 C ATOM 1524 C ASP A 97 4.618 -16.930 6.024 1.00 43.15 C ATOM 1525 O ASP A 97 3.750 -17.189 5.171 1.00 23.31 O ATOM 1526 CB ASP A 97 3.003 -15.715 7.573 1.00 74.50 C ATOM 1527 CG ASP A 97 2.847 -14.668 8.690 1.00 30.41 C ATOM 1528 OD1 ASP A 97 2.640 -13.471 8.379 1.00 12.05 O ATOM 1529 OD2 ASP A 97 2.952 -15.038 9.887 1.00 45.14 O ATOM 0 H ASP A 97 4.159 -14.415 5.407 1.00 52.11 H new ATOM 0 HA ASP A 97 5.117 -15.857 7.833 1.00 72.05 H new ATOM 0 HB2 ASP A 97 2.294 -15.497 6.774 1.00 74.50 H new ATOM 0 HB3 ASP A 97 2.749 -16.700 7.965 1.00 74.50 H new ATOM 1534 N GLY A 98 5.790 -17.582 6.127 1.00 22.04 N ATOM 1535 CA GLY A 98 6.136 -18.724 5.296 1.00 21.23 C ATOM 1536 C GLY A 98 6.421 -18.332 3.850 1.00 11.43 C ATOM 1537 O GLY A 98 7.409 -17.648 3.564 1.00 14.15 O ATOM 0 H GLY A 98 6.518 -17.323 6.793 1.00 22.04 H new ATOM 0 HA2 GLY A 98 7.012 -19.220 5.713 1.00 21.23 H new ATOM 0 HA3 GLY A 98 5.320 -19.446 5.319 1.00 21.23 H new ATOM 1541 N ASP A 99 5.522 -18.740 2.949 1.00 64.13 N ATOM 1542 CA ASP A 99 5.687 -18.581 1.488 1.00 53.44 C ATOM 1543 C ASP A 99 5.127 -17.240 0.979 1.00 1.23 C ATOM 1544 O ASP A 99 5.429 -16.830 -0.141 1.00 42.13 O ATOM 1545 CB ASP A 99 4.965 -19.751 0.758 1.00 52.51 C ATOM 1546 CG ASP A 99 3.433 -19.745 0.978 1.00 45.04 C ATOM 1547 OD1 ASP A 99 2.674 -19.451 0.031 1.00 32.04 O ATOM 1548 OD2 ASP A 99 2.990 -20.018 2.109 1.00 3.25 O ATOM 0 H ASP A 99 4.647 -19.196 3.209 1.00 64.13 H new ATOM 0 HA ASP A 99 6.756 -18.594 1.274 1.00 53.44 H new ATOM 0 HB2 ASP A 99 5.174 -19.690 -0.310 1.00 52.51 H new ATOM 0 HB3 ASP A 99 5.374 -20.699 1.109 1.00 52.51 H new ATOM 1553 N THR A 100 4.298 -16.573 1.795 1.00 62.42 N ATOM 1554 CA THR A 100 3.496 -15.415 1.361 1.00 23.21 C ATOM 1555 C THR A 100 3.589 -14.268 2.372 1.00 42.33 C ATOM 1556 O THR A 100 4.060 -14.457 3.492 1.00 74.44 O ATOM 1557 CB THR A 100 2.004 -15.845 1.173 1.00 0.01 C ATOM 1558 OG1 THR A 100 1.228 -14.756 0.645 1.00 41.02 O ATOM 1559 CG2 THR A 100 1.373 -16.347 2.486 1.00 51.44 C ATOM 0 H THR A 100 4.163 -16.820 2.775 1.00 62.42 H new ATOM 0 HA THR A 100 3.894 -15.060 0.410 1.00 23.21 H new ATOM 0 HB THR A 100 1.999 -16.673 0.464 1.00 0.01 H new ATOM 0 HG1 THR A 100 0.494 -15.111 0.101 1.00 41.02 H new ATOM 0 HG21 THR A 100 0.337 -16.634 2.305 1.00 51.44 H new ATOM 0 HG22 THR A 100 1.930 -17.210 2.851 1.00 51.44 H new ATOM 0 HG23 THR A 100 1.405 -15.553 3.232 1.00 51.44 H new ATOM 1567 N ILE A 101 3.139 -13.075 1.949 1.00 52.11 N ATOM 1568 CA ILE A 101 3.029 -11.897 2.817 1.00 11.13 C ATOM 1569 C ILE A 101 1.588 -11.840 3.359 1.00 31.43 C ATOM 1570 O ILE A 101 0.636 -11.792 2.567 1.00 10.51 O ATOM 1571 CB ILE A 101 3.329 -10.563 2.035 1.00 53.42 C ATOM 1572 CG1 ILE A 101 4.631 -10.677 1.183 1.00 22.14 C ATOM 1573 CG2 ILE A 101 3.423 -9.372 3.016 1.00 44.33 C ATOM 1574 CD1 ILE A 101 4.930 -9.467 0.307 1.00 44.30 C ATOM 0 H ILE A 101 2.840 -12.903 0.989 1.00 52.11 H new ATOM 0 HA ILE A 101 3.760 -11.986 3.621 1.00 11.13 H new ATOM 0 HB ILE A 101 2.501 -10.387 1.348 1.00 53.42 H new ATOM 0 HG12 ILE A 101 5.474 -10.839 1.854 1.00 22.14 H new ATOM 0 HG13 ILE A 101 4.556 -11.559 0.547 1.00 22.14 H new ATOM 0 HG21 ILE A 101 3.631 -8.458 2.460 1.00 44.33 H new ATOM 0 HG22 ILE A 101 2.479 -9.265 3.550 1.00 44.33 H new ATOM 0 HG23 ILE A 101 4.226 -9.552 3.731 1.00 44.33 H new ATOM 0 HD11 ILE A 101 5.853 -9.638 -0.247 1.00 44.30 H new ATOM 0 HD12 ILE A 101 4.109 -9.313 -0.394 1.00 44.30 H new ATOM 0 HD13 ILE A 101 5.042 -8.583 0.934 1.00 44.30 H new ATOM 1586 N ARG A 102 1.421 -11.883 4.693 1.00 21.31 N ATOM 1587 CA ARG A 102 0.088 -11.816 5.345 1.00 14.01 C ATOM 1588 C ARG A 102 -0.134 -10.455 6.014 1.00 33.15 C ATOM 1589 O ARG A 102 -1.276 -10.079 6.292 1.00 12.11 O ATOM 1590 CB ARG A 102 -0.070 -12.953 6.393 1.00 0.22 C ATOM 1591 CG ARG A 102 0.009 -14.398 5.845 1.00 45.01 C ATOM 1592 CD ARG A 102 -1.121 -14.764 4.859 1.00 25.43 C ATOM 1593 NE ARG A 102 -0.907 -14.200 3.514 1.00 13.44 N ATOM 1594 CZ ARG A 102 -1.730 -14.346 2.469 1.00 60.02 C ATOM 1595 NH1 ARG A 102 -2.862 -15.037 2.574 1.00 53.03 N ATOM 1596 NH2 ARG A 102 -1.402 -13.812 1.305 1.00 0.24 N ATOM 0 H ARG A 102 2.196 -11.965 5.351 1.00 21.31 H new ATOM 0 HA ARG A 102 -0.665 -11.945 4.568 1.00 14.01 H new ATOM 0 HB2 ARG A 102 0.703 -12.831 7.151 1.00 0.22 H new ATOM 0 HB3 ARG A 102 -1.030 -12.828 6.894 1.00 0.22 H new ATOM 0 HG2 ARG A 102 0.969 -14.533 5.346 1.00 45.01 H new ATOM 0 HG3 ARG A 102 -0.016 -15.094 6.683 1.00 45.01 H new ATOM 0 HD2 ARG A 102 -1.197 -15.849 4.786 1.00 25.43 H new ATOM 0 HD3 ARG A 102 -2.072 -14.404 5.252 1.00 25.43 H new ATOM 0 HE ARG A 102 -0.059 -13.652 3.367 1.00 13.44 H new ATOM 0 HH11 ARG A 102 -3.116 -15.467 3.463 1.00 53.03 H new ATOM 0 HH12 ARG A 102 -3.476 -15.136 1.765 1.00 53.03 H new ATOM 0 HH21 ARG A 102 -0.528 -13.294 1.209 1.00 0.24 H new ATOM 0 HH22 ARG A 102 -2.023 -13.918 0.502 1.00 0.24 H new ATOM 1610 N ARG A 103 0.957 -9.703 6.234 1.00 22.41 N ATOM 1611 CA ARG A 103 0.943 -8.469 7.040 1.00 13.22 C ATOM 1612 C ARG A 103 1.588 -7.306 6.272 1.00 75.32 C ATOM 1613 O ARG A 103 2.522 -7.499 5.489 1.00 74.42 O ATOM 1614 CB ARG A 103 1.716 -8.685 8.376 1.00 30.21 C ATOM 1615 CG ARG A 103 1.043 -9.647 9.384 1.00 30.03 C ATOM 1616 CD ARG A 103 1.849 -9.784 10.686 1.00 51.44 C ATOM 1617 NE ARG A 103 1.164 -10.615 11.698 1.00 34.33 N ATOM 1618 CZ ARG A 103 1.343 -11.934 11.871 1.00 51.31 C ATOM 1619 NH1 ARG A 103 2.192 -12.602 11.105 1.00 20.01 N ATOM 1620 NH2 ARG A 103 0.708 -12.557 12.846 1.00 22.53 N ATOM 0 H ARG A 103 1.876 -9.934 5.857 1.00 22.41 H new ATOM 0 HA ARG A 103 -0.097 -8.223 7.253 1.00 13.22 H new ATOM 0 HB2 ARG A 103 2.710 -9.067 8.143 1.00 30.21 H new ATOM 0 HB3 ARG A 103 1.851 -7.717 8.858 1.00 30.21 H new ATOM 0 HG2 ARG A 103 0.041 -9.285 9.616 1.00 30.03 H new ATOM 0 HG3 ARG A 103 0.929 -10.629 8.925 1.00 30.03 H new ATOM 0 HD2 ARG A 103 2.822 -10.221 10.462 1.00 51.44 H new ATOM 0 HD3 ARG A 103 2.033 -8.793 11.100 1.00 51.44 H new ATOM 0 HE ARG A 103 0.501 -10.148 12.316 1.00 34.33 H new ATOM 0 HH11 ARG A 103 2.715 -12.114 10.378 1.00 20.01 H new ATOM 0 HH12 ARG A 103 2.323 -13.604 11.242 1.00 20.01 H new ATOM 0 HH21 ARG A 103 0.085 -12.036 13.463 1.00 22.53 H new ATOM 0 HH22 ARG A 103 0.840 -13.559 12.982 1.00 22.53 H new ATOM 1634 N VAL A 104 1.061 -6.098 6.526 1.00 13.14 N ATOM 1635 CA VAL A 104 1.613 -4.838 6.028 1.00 3.25 C ATOM 1636 C VAL A 104 1.370 -3.735 7.087 1.00 24.34 C ATOM 1637 O VAL A 104 0.224 -3.379 7.386 1.00 12.34 O ATOM 1638 CB VAL A 104 1.024 -4.441 4.614 1.00 22.12 C ATOM 1639 CG1 VAL A 104 -0.524 -4.438 4.591 1.00 71.11 C ATOM 1640 CG2 VAL A 104 1.610 -3.091 4.122 1.00 41.21 C ATOM 0 H VAL A 104 0.223 -5.972 7.094 1.00 13.14 H new ATOM 0 HA VAL A 104 2.685 -4.959 5.873 1.00 3.25 H new ATOM 0 HB VAL A 104 1.336 -5.216 3.913 1.00 22.12 H new ATOM 0 HG11 VAL A 104 -0.873 -4.159 3.597 1.00 71.11 H new ATOM 0 HG12 VAL A 104 -0.893 -5.433 4.839 1.00 71.11 H new ATOM 0 HG13 VAL A 104 -0.897 -3.720 5.321 1.00 71.11 H new ATOM 0 HG21 VAL A 104 1.187 -2.844 3.148 1.00 41.21 H new ATOM 0 HG22 VAL A 104 1.362 -2.305 4.835 1.00 41.21 H new ATOM 0 HG23 VAL A 104 2.693 -3.174 4.036 1.00 41.21 H new ATOM 1650 N THR A 105 2.463 -3.252 7.696 1.00 32.32 N ATOM 1651 CA THR A 105 2.431 -2.161 8.675 1.00 65.10 C ATOM 1652 C THR A 105 2.636 -0.830 7.934 1.00 40.11 C ATOM 1653 O THR A 105 3.756 -0.503 7.545 1.00 31.13 O ATOM 1654 CB THR A 105 3.557 -2.381 9.748 1.00 15.41 C ATOM 1655 OG1 THR A 105 3.322 -3.610 10.460 1.00 51.32 O ATOM 1656 CG2 THR A 105 3.676 -1.220 10.751 1.00 51.54 C ATOM 0 H THR A 105 3.401 -3.612 7.520 1.00 32.32 H new ATOM 0 HA THR A 105 1.470 -2.141 9.189 1.00 65.10 H new ATOM 0 HB THR A 105 4.500 -2.429 9.204 1.00 15.41 H new ATOM 0 HG1 THR A 105 4.028 -3.742 11.126 1.00 51.32 H new ATOM 0 HG21 THR A 105 4.472 -1.435 11.464 1.00 51.54 H new ATOM 0 HG22 THR A 105 3.908 -0.299 10.216 1.00 51.54 H new ATOM 0 HG23 THR A 105 2.733 -1.102 11.284 1.00 51.54 H new ATOM 1664 N VAL A 106 1.547 -0.069 7.739 1.00 54.45 N ATOM 1665 CA VAL A 106 1.595 1.215 7.015 1.00 32.32 C ATOM 1666 C VAL A 106 1.627 2.362 8.031 1.00 22.33 C ATOM 1667 O VAL A 106 0.649 2.577 8.755 1.00 34.24 O ATOM 1668 CB VAL A 106 0.376 1.414 6.032 1.00 72.33 C ATOM 1669 CG1 VAL A 106 0.592 2.669 5.141 1.00 62.42 C ATOM 1670 CG2 VAL A 106 0.122 0.148 5.179 1.00 2.33 C ATOM 0 H VAL A 106 0.617 -0.321 8.074 1.00 54.45 H new ATOM 0 HA VAL A 106 2.497 1.211 6.404 1.00 32.32 H new ATOM 0 HB VAL A 106 -0.519 1.578 6.633 1.00 72.33 H new ATOM 0 HG11 VAL A 106 -0.259 2.790 4.470 1.00 62.42 H new ATOM 0 HG12 VAL A 106 0.684 3.552 5.773 1.00 62.42 H new ATOM 0 HG13 VAL A 106 1.502 2.546 4.554 1.00 62.42 H new ATOM 0 HG21 VAL A 106 -0.724 0.321 4.514 1.00 2.33 H new ATOM 0 HG22 VAL A 106 1.009 -0.076 4.587 1.00 2.33 H new ATOM 0 HG23 VAL A 106 -0.098 -0.694 5.835 1.00 2.33 H new ATOM 1680 N THR A 107 2.758 3.074 8.093 1.00 54.41 N ATOM 1681 CA THR A 107 2.914 4.251 8.949 1.00 12.13 C ATOM 1682 C THR A 107 2.912 5.525 8.089 1.00 2.35 C ATOM 1683 O THR A 107 3.779 5.697 7.224 1.00 61.33 O ATOM 1684 CB THR A 107 4.231 4.163 9.775 1.00 3.01 C ATOM 1685 OG1 THR A 107 4.231 2.950 10.557 1.00 25.22 O ATOM 1686 CG2 THR A 107 4.401 5.376 10.708 1.00 32.21 C ATOM 0 H THR A 107 3.591 2.848 7.549 1.00 54.41 H new ATOM 0 HA THR A 107 2.076 4.287 9.646 1.00 12.13 H new ATOM 0 HB THR A 107 5.066 4.159 9.074 1.00 3.01 H new ATOM 0 HG1 THR A 107 5.061 2.895 11.075 1.00 25.22 H new ATOM 0 HG21 THR A 107 5.332 5.277 11.267 1.00 32.21 H new ATOM 0 HG22 THR A 107 4.429 6.290 10.115 1.00 32.21 H new ATOM 0 HG23 THR A 107 3.563 5.420 11.403 1.00 32.21 H new ATOM 1694 N GLN A 108 1.926 6.400 8.336 1.00 3.04 N ATOM 1695 CA GLN A 108 1.798 7.701 7.662 1.00 30.22 C ATOM 1696 C GLN A 108 2.692 8.734 8.383 1.00 63.11 C ATOM 1697 O GLN A 108 2.242 9.447 9.282 1.00 14.34 O ATOM 1698 CB GLN A 108 0.301 8.132 7.657 1.00 11.32 C ATOM 1699 CG GLN A 108 0.012 9.498 6.998 1.00 62.22 C ATOM 1700 CD GLN A 108 -1.471 9.897 7.034 1.00 34.41 C ATOM 1701 OE1 GLN A 108 -2.363 9.047 7.041 1.00 31.13 O ATOM 1702 NE2 GLN A 108 -1.746 11.189 7.040 1.00 72.32 N ATOM 0 H GLN A 108 1.187 6.223 9.016 1.00 3.04 H new ATOM 0 HA GLN A 108 2.130 7.633 6.626 1.00 30.22 H new ATOM 0 HB2 GLN A 108 -0.279 7.367 7.140 1.00 11.32 H new ATOM 0 HB3 GLN A 108 -0.056 8.161 8.687 1.00 11.32 H new ATOM 0 HG2 GLN A 108 0.599 10.266 7.502 1.00 62.22 H new ATOM 0 HG3 GLN A 108 0.347 9.470 5.961 1.00 62.22 H new ATOM 0 HE21 GLN A 108 -0.988 11.872 7.034 1.00 72.32 H new ATOM 0 HE22 GLN A 108 -2.716 11.504 7.051 1.00 72.32 H new ATOM 1711 N ASN A 109 3.981 8.754 8.015 1.00 3.14 N ATOM 1712 CA ASN A 109 4.974 9.673 8.610 1.00 62.30 C ATOM 1713 C ASN A 109 4.798 11.082 8.017 1.00 14.25 C ATOM 1714 O ASN A 109 5.293 11.379 6.918 1.00 54.23 O ATOM 1715 CB ASN A 109 6.422 9.159 8.385 1.00 72.21 C ATOM 1716 CG ASN A 109 6.645 7.744 8.916 1.00 50.44 C ATOM 1717 OD1 ASN A 109 6.986 7.546 10.085 1.00 13.05 O ATOM 1718 ND2 ASN A 109 6.458 6.749 8.058 1.00 20.12 N ATOM 0 H ASN A 109 4.368 8.138 7.300 1.00 3.14 H new ATOM 0 HA ASN A 109 4.805 9.716 9.686 1.00 62.30 H new ATOM 0 HB2 ASN A 109 6.647 9.180 7.319 1.00 72.21 H new ATOM 0 HB3 ASN A 109 7.122 9.838 8.872 1.00 72.21 H new ATOM 0 HD21 ASN A 109 6.596 5.784 8.358 1.00 20.12 H new ATOM 0 HD22 ASN A 109 6.176 6.949 7.098 1.00 20.12 H new