USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 732 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: B 76 SER OG : rot 120:sc= 0 USER MOD Set 1.2: B 80 ASN : amide:sc= 0.747 K(o=0.75,f=-3.4!) USER MOD Set 2.1: B 62 LYS NZ :NH3+ 153:sc=-0.00397 (180deg=-0.469) USER MOD Set 2.2: B 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 59 ASN : amide:sc= -3.69! C(o=-4.5!,f=-5.6!) USER MOD Set 3.2: B 87 MET CE :methyl -140:sc= -0.774 (180deg=-3.78!) USER MOD Set 4.1: B 28 SER OG : rot 180:sc= -0.0914 USER MOD Set 4.2: B 39 THR OG1 : rot 84:sc=0.000312 USER MOD Set 5.1: B 32 ASN : amide:sc= 0.289 K(o=0.63,f=-0.8) USER MOD Set 5.2: B 35 GLN : amide:sc= 0.364 K(o=0.63,f=-0.61) USER MOD Set 5.3: B 83 ASN : amide:sc= -0.0189 K(o=0.63,f=-0.85) USER MOD Set 6.1: B 14 ASN : amide:sc= -0.494 K(o=-1,f=-3.3) USER MOD Set 6.2: B 31 MET CE :methyl 159:sc= -0.51 (180deg=-1.05) USER MOD Single : B 1 ASP N :NH3+ -146:sc= 0.284 (180deg=0.101) USER MOD Single : B 2 ASN : amide:sc= 0.784 K(o=0.78,f=-7.6!) USER MOD Single : B 3 GLN : amide:sc= -0.478! C(o=-0.48!,f=-3.2!) USER MOD Single : B 4 LYS NZ :NH3+ 171:sc= -0.0117 (180deg=-0.122) USER MOD Single : B 9 GLN : amide:sc= -2.97! C(o=-3!,f=-2.1!) USER MOD Single : B 10 MET CE :methyl 170:sc=-0.00747 (180deg=-0.166) USER MOD Single : B 11 ASN : amide:sc= -3.42! C(o=-3.4!,f=-6.4!) USER MOD Single : B 12 SER OG : rot 180:sc= 0.00284 USER MOD Single : B 15 SER OG : rot 179:sc= -0.306 USER MOD Single : B 17 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.18) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.0355 K(o=-0.036,f=-0.68) USER MOD Single : B 22 LYS NZ :NH3+ 165:sc= -0.0674 (180deg=-0.388) USER MOD Single : B 24 LYS NZ :NH3+ 170:sc= 0.451 (180deg=0.0905) USER MOD Single : B 26 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0773) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 34 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.49) USER MOD Single : B 37 LYS NZ :NH3+ -168:sc= -0.0282 (180deg=-0.231) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 160:sc= 0 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.0266 USER MOD Single : B 49 TYR OH : rot 159:sc= -0.33 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -1.02 K(o=-1,f=-4.9!) USER MOD Single : B 64 TYR OH : rot -69:sc= -0.18 USER MOD Single : B 67 ASN : amide:sc= -0.852 X(o=-0.85,f=-0.96) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.579 USER MOD Single : B 71 THR OG1 : rot 20:sc= 0.751 USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 77 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.98) USER MOD Single : B 81 LYS NZ :NH3+ -140:sc= 1.27 (180deg=1.01) USER MOD Single : B 85 LYS NZ :NH3+ -169:sc=-0.00723 (180deg=-0.105) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN : amide:sc= -3.29! C(o=-3.3!,f=-0.99!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 17.971 -8.824 14.847 1.00 0.00 N ATOM 2 CA ASP B 1 18.008 -8.120 13.546 1.00 0.00 C ATOM 3 C ASP B 1 16.786 -7.224 13.412 1.00 0.00 C ATOM 4 O ASP B 1 15.832 -7.343 14.179 1.00 0.00 O ATOM 5 CB ASP B 1 18.035 -9.133 12.399 1.00 0.00 C ATOM 6 CG ASP B 1 16.725 -9.877 12.258 1.00 0.00 C ATOM 7 OD1 ASP B 1 16.348 -10.609 13.197 1.00 0.00 O1- ATOM 8 OD2 ASP B 1 16.064 -9.730 11.208 1.00 0.00 O ATOM 0 H1 ASP B 1 18.940 -8.946 15.203 1.00 0.00 H new ATOM 0 H2 ASP B 1 17.420 -8.265 15.529 1.00 0.00 H new ATOM 0 H3 ASP B 1 17.527 -9.756 14.725 1.00 0.00 H new ATOM 0 HA ASP B 1 18.910 -7.510 13.500 1.00 0.00 H new ATOM 0 HB2 ASP B 1 18.259 -8.616 11.466 1.00 0.00 H new ATOM 0 HB3 ASP B 1 18.840 -9.848 12.568 1.00 0.00 H new ATOM 15 N ASN B 2 16.821 -6.319 12.449 1.00 0.00 N ATOM 16 CA ASN B 2 15.708 -5.414 12.224 1.00 0.00 C ATOM 17 C ASN B 2 14.752 -6.002 11.192 1.00 0.00 C ATOM 18 O ASN B 2 15.108 -6.157 10.024 1.00 0.00 O ATOM 19 CB ASN B 2 16.220 -4.047 11.766 1.00 0.00 C ATOM 20 CG ASN B 2 15.111 -3.022 11.656 1.00 0.00 C ATOM 21 OD1 ASN B 2 14.506 -2.855 10.601 1.00 0.00 O ATOM 22 ND2 ASN B 2 14.830 -2.337 12.752 1.00 0.00 N ATOM 0 H ASN B 2 17.607 -6.192 11.811 1.00 0.00 H new ATOM 0 HA ASN B 2 15.167 -5.282 13.161 1.00 0.00 H new ATOM 0 HB2 ASN B 2 16.973 -3.690 12.469 1.00 0.00 H new ATOM 0 HB3 ASN B 2 16.711 -4.152 10.799 1.00 0.00 H new ATOM 0 HD21 ASN B 2 14.086 -1.639 12.741 1.00 0.00 H new ATOM 0 HD22 ASN B 2 15.357 -2.507 13.609 1.00 0.00 H new ATOM 29 N GLN B 3 13.547 -6.339 11.636 1.00 0.00 N ATOM 30 CA GLN B 3 12.558 -6.985 10.783 1.00 0.00 C ATOM 31 C GLN B 3 11.714 -5.968 10.017 1.00 0.00 C ATOM 32 O GLN B 3 10.708 -6.322 9.397 1.00 0.00 O ATOM 33 CB GLN B 3 11.649 -7.884 11.625 1.00 0.00 C ATOM 34 CG GLN B 3 10.732 -7.130 12.580 1.00 0.00 C ATOM 35 CD GLN B 3 11.439 -6.674 13.838 1.00 0.00 C ATOM 36 OE1 GLN B 3 11.992 -5.575 13.894 1.00 0.00 O ATOM 37 NE2 GLN B 3 11.429 -7.516 14.856 1.00 0.00 N ATOM 0 H GLN B 3 13.230 -6.173 12.591 1.00 0.00 H new ATOM 0 HA GLN B 3 13.097 -7.587 10.052 1.00 0.00 H new ATOM 0 HB2 GLN B 3 11.038 -8.491 10.957 1.00 0.00 H new ATOM 0 HB3 GLN B 3 12.269 -8.570 12.201 1.00 0.00 H new ATOM 0 HG2 GLN B 3 10.317 -6.262 12.068 1.00 0.00 H new ATOM 0 HG3 GLN B 3 9.893 -7.771 12.852 1.00 0.00 H new ATOM 0 HE21 GLN B 3 10.959 -8.417 14.768 1.00 0.00 H new ATOM 0 HE22 GLN B 3 11.891 -7.265 15.730 1.00 0.00 H new ATOM 46 N LYS B 4 12.116 -4.710 10.064 1.00 0.00 N ATOM 47 CA LYS B 4 11.425 -3.665 9.371 1.00 0.00 C ATOM 48 C LYS B 4 12.120 -3.358 8.044 1.00 0.00 C ATOM 49 O LYS B 4 11.564 -3.590 6.965 1.00 0.00 O ATOM 50 CB LYS B 4 11.413 -2.448 10.277 1.00 0.00 C ATOM 51 CG LYS B 4 10.102 -2.226 11.013 1.00 0.00 C ATOM 52 CD LYS B 4 8.953 -1.943 10.058 1.00 0.00 C ATOM 53 CE LYS B 4 7.634 -1.810 10.803 1.00 0.00 C ATOM 54 NZ LYS B 4 7.643 -0.672 11.758 1.00 0.00 N1+ ATOM 0 H LYS B 4 12.933 -4.396 10.588 1.00 0.00 H new ATOM 0 HA LYS B 4 10.404 -3.965 9.137 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.214 -2.547 11.009 1.00 0.00 H new ATOM 0 HB3 LYS B 4 11.635 -1.563 9.680 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.868 -3.107 11.610 1.00 0.00 H new ATOM 0 HG3 LYS B 4 10.212 -1.391 11.705 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.155 -1.026 9.505 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.880 -2.747 9.326 1.00 0.00 H new ATOM 0 HE2 LYS B 4 6.825 -1.674 10.085 1.00 0.00 H new ATOM 0 HE3 LYS B 4 7.429 -2.734 11.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 6.683 -0.523 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 8.290 -0.884 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 7.962 0.189 11.269 1.00 0.00 H new ATOM 68 N ALA B 5 13.341 -2.846 8.135 1.00 0.00 N ATOM 69 CA ALA B 5 14.166 -2.588 6.965 1.00 0.00 C ATOM 70 C ALA B 5 15.316 -3.584 6.914 1.00 0.00 C ATOM 71 O ALA B 5 16.435 -3.277 7.324 1.00 0.00 O ATOM 72 CB ALA B 5 14.694 -1.162 6.988 1.00 0.00 C ATOM 0 H ALA B 5 13.785 -2.599 9.020 1.00 0.00 H new ATOM 0 HA ALA B 5 13.556 -2.709 6.070 1.00 0.00 H new ATOM 0 HB1 ALA B 5 15.309 -0.987 6.105 1.00 0.00 H new ATOM 0 HB2 ALA B 5 13.857 -0.464 6.991 1.00 0.00 H new ATOM 0 HB3 ALA B 5 15.295 -1.011 7.885 1.00 0.00 H new ATOM 78 N LEU B 6 15.026 -4.781 6.431 1.00 0.00 N ATOM 79 CA LEU B 6 16.002 -5.859 6.406 1.00 0.00 C ATOM 80 C LEU B 6 17.057 -5.654 5.318 1.00 0.00 C ATOM 81 O LEU B 6 18.015 -4.909 5.511 1.00 0.00 O ATOM 82 CB LEU B 6 15.304 -7.213 6.232 1.00 0.00 C ATOM 83 CG LEU B 6 14.278 -7.556 7.318 1.00 0.00 C ATOM 84 CD1 LEU B 6 12.949 -6.879 7.054 1.00 0.00 C ATOM 85 CD2 LEU B 6 14.094 -9.059 7.435 1.00 0.00 C ATOM 0 H LEU B 6 14.115 -5.032 6.048 1.00 0.00 H new ATOM 0 HA LEU B 6 16.520 -5.850 7.365 1.00 0.00 H new ATOM 0 HB2 LEU B 6 14.804 -7.225 5.264 1.00 0.00 H new ATOM 0 HB3 LEU B 6 16.062 -7.996 6.209 1.00 0.00 H new ATOM 0 HG LEU B 6 14.665 -7.181 8.265 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.244 -7.143 7.842 1.00 0.00 H new ATOM 0 HD12 LEU B 6 13.088 -5.798 7.038 1.00 0.00 H new ATOM 0 HD13 LEU B 6 12.558 -7.209 6.092 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.361 -9.276 8.212 1.00 0.00 H new ATOM 0 HD22 LEU B 6 13.743 -9.458 6.483 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.046 -9.523 7.694 1.00 0.00 H new ATOM 97 N GLU B 7 16.884 -6.307 4.172 1.00 0.00 N ATOM 98 CA GLU B 7 17.890 -6.243 3.125 1.00 0.00 C ATOM 99 C GLU B 7 17.664 -5.053 2.198 1.00 0.00 C ATOM 100 O GLU B 7 18.358 -4.041 2.294 1.00 0.00 O ATOM 101 CB GLU B 7 17.892 -7.536 2.311 1.00 0.00 C ATOM 102 CG GLU B 7 17.854 -8.792 3.163 1.00 0.00 C ATOM 103 CD GLU B 7 18.327 -10.015 2.408 1.00 0.00 C ATOM 104 OE1 GLU B 7 19.552 -10.255 2.377 1.00 0.00 O ATOM 105 OE2 GLU B 7 17.481 -10.735 1.836 1.00 0.00 O1- ATOM 0 H GLU B 7 16.068 -6.878 3.950 1.00 0.00 H new ATOM 0 HA GLU B 7 18.858 -6.116 3.610 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.032 -7.535 1.642 1.00 0.00 H new ATOM 0 HB3 GLU B 7 18.783 -7.559 1.684 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.478 -8.649 4.045 1.00 0.00 H new ATOM 0 HG3 GLU B 7 16.836 -8.957 3.516 1.00 0.00 H new ATOM 112 N GLU B 8 16.687 -5.170 1.311 1.00 0.00 N ATOM 113 CA GLU B 8 16.424 -4.141 0.333 1.00 0.00 C ATOM 114 C GLU B 8 15.071 -3.492 0.567 1.00 0.00 C ATOM 115 O GLU B 8 14.630 -2.648 -0.211 1.00 0.00 O ATOM 116 CB GLU B 8 16.491 -4.734 -1.070 1.00 0.00 C ATOM 117 CG GLU B 8 17.699 -5.629 -1.273 1.00 0.00 C ATOM 118 CD GLU B 8 17.859 -6.089 -2.704 1.00 0.00 C ATOM 119 OE1 GLU B 8 18.085 -5.240 -3.589 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 17.753 -7.311 -2.953 1.00 0.00 O ATOM 0 H GLU B 8 16.063 -5.975 1.254 1.00 0.00 H new ATOM 0 HA GLU B 8 17.186 -3.368 0.435 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.584 -5.307 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU B 8 16.517 -3.925 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU B 8 18.597 -5.093 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU B 8 17.612 -6.501 -0.624 1.00 0.00 H new ATOM 127 N GLN B 9 14.415 -3.894 1.637 1.00 0.00 N ATOM 128 CA GLN B 9 13.117 -3.337 1.981 1.00 0.00 C ATOM 129 C GLN B 9 13.265 -2.257 3.036 1.00 0.00 C ATOM 130 O GLN B 9 14.223 -2.252 3.809 1.00 0.00 O ATOM 131 CB GLN B 9 12.157 -4.422 2.473 1.00 0.00 C ATOM 132 CG GLN B 9 12.706 -5.270 3.599 1.00 0.00 C ATOM 133 CD GLN B 9 11.732 -6.348 4.013 1.00 0.00 C ATOM 134 OE1 GLN B 9 11.756 -7.457 3.488 1.00 0.00 O ATOM 135 NE2 GLN B 9 10.862 -6.021 4.954 1.00 0.00 N ATOM 0 H GLN B 9 14.757 -4.604 2.285 1.00 0.00 H new ATOM 0 HA GLN B 9 12.697 -2.896 1.077 1.00 0.00 H new ATOM 0 HB2 GLN B 9 11.233 -3.950 2.806 1.00 0.00 H new ATOM 0 HB3 GLN B 9 11.900 -5.071 1.636 1.00 0.00 H new ATOM 0 HG2 GLN B 9 13.644 -5.728 3.285 1.00 0.00 H new ATOM 0 HG3 GLN B 9 12.932 -4.635 4.456 1.00 0.00 H new ATOM 0 HE21 GLN B 9 10.879 -5.086 5.362 1.00 0.00 H new ATOM 0 HE22 GLN B 9 10.174 -6.703 5.272 1.00 0.00 H new ATOM 144 N MET B 10 12.305 -1.353 3.063 1.00 0.00 N ATOM 145 CA MET B 10 12.328 -0.231 3.981 1.00 0.00 C ATOM 146 C MET B 10 11.110 -0.285 4.900 1.00 0.00 C ATOM 147 O MET B 10 10.065 -0.776 4.490 1.00 0.00 O ATOM 148 CB MET B 10 12.363 1.080 3.180 1.00 0.00 C ATOM 149 CG MET B 10 12.257 2.340 4.025 1.00 0.00 C ATOM 150 SD MET B 10 13.469 2.398 5.360 1.00 0.00 S ATOM 151 CE MET B 10 15.002 2.456 4.431 1.00 0.00 C ATOM 0 H MET B 10 11.489 -1.375 2.451 1.00 0.00 H new ATOM 0 HA MET B 10 13.221 -0.281 4.605 1.00 0.00 H new ATOM 0 HB2 MET B 10 13.291 1.118 2.610 1.00 0.00 H new ATOM 0 HB3 MET B 10 11.546 1.072 2.459 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.388 3.212 3.385 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.255 2.403 4.449 1.00 0.00 H new ATOM 0 HE1 MET B 10 15.829 2.673 5.107 1.00 0.00 H new ATOM 0 HE2 MET B 10 15.171 1.494 3.948 1.00 0.00 H new ATOM 0 HE3 MET B 10 14.939 3.237 3.673 1.00 0.00 H new ATOM 161 N ASN B 11 11.269 0.170 6.140 1.00 0.00 N ATOM 162 CA ASN B 11 10.199 0.169 7.149 1.00 0.00 C ATOM 163 C ASN B 11 8.813 0.441 6.555 1.00 0.00 C ATOM 164 O ASN B 11 7.836 -0.242 6.885 1.00 0.00 O ATOM 165 CB ASN B 11 10.476 1.228 8.224 1.00 0.00 C ATOM 166 CG ASN B 11 11.848 1.104 8.857 1.00 0.00 C ATOM 167 OD1 ASN B 11 12.434 0.028 8.897 1.00 0.00 O ATOM 168 ND2 ASN B 11 12.368 2.210 9.358 1.00 0.00 N ATOM 0 H ASN B 11 12.150 0.554 6.482 1.00 0.00 H new ATOM 0 HA ASN B 11 10.195 -0.833 7.579 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.378 2.219 7.780 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.717 1.151 9.003 1.00 0.00 H new ATOM 0 HD21 ASN B 11 13.288 2.187 9.797 1.00 0.00 H new ATOM 0 HD22 ASN B 11 11.849 3.087 9.305 1.00 0.00 H new ATOM 175 N SER B 12 8.759 1.395 5.632 1.00 0.00 N ATOM 176 CA SER B 12 7.513 1.941 5.127 1.00 0.00 C ATOM 177 C SER B 12 6.701 0.905 4.356 1.00 0.00 C ATOM 178 O SER B 12 5.496 1.073 4.175 1.00 0.00 O ATOM 179 CB SER B 12 7.828 3.128 4.229 1.00 0.00 C ATOM 180 OG SER B 12 8.788 3.976 4.840 1.00 0.00 O ATOM 0 H SER B 12 9.589 1.812 5.212 1.00 0.00 H new ATOM 0 HA SER B 12 6.907 2.254 5.977 1.00 0.00 H new ATOM 0 HB2 SER B 12 8.205 2.775 3.269 1.00 0.00 H new ATOM 0 HB3 SER B 12 6.916 3.689 4.026 1.00 0.00 H new ATOM 0 HG SER B 12 8.980 4.733 4.248 1.00 0.00 H new ATOM 186 N ILE B 13 7.356 -0.164 3.910 1.00 0.00 N ATOM 187 CA ILE B 13 6.666 -1.228 3.191 1.00 0.00 C ATOM 188 C ILE B 13 5.584 -1.822 4.082 1.00 0.00 C ATOM 189 O ILE B 13 4.468 -2.116 3.652 1.00 0.00 O ATOM 190 CB ILE B 13 7.624 -2.370 2.790 1.00 0.00 C ATOM 191 CG1 ILE B 13 8.875 -1.828 2.101 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.914 -3.369 1.882 1.00 0.00 C ATOM 193 CD1 ILE B 13 8.661 -1.414 0.662 1.00 0.00 C ATOM 0 H ILE B 13 8.357 -0.315 4.033 1.00 0.00 H new ATOM 0 HA ILE B 13 6.243 -0.787 2.288 1.00 0.00 H new ATOM 0 HB ILE B 13 7.934 -2.880 3.702 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.243 -0.970 2.663 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.654 -2.589 2.136 1.00 0.00 H new ATOM 0 HG21 ILE B 13 7.604 -4.167 1.609 1.00 0.00 H new ATOM 0 HG22 ILE B 13 6.058 -3.793 2.407 1.00 0.00 H new ATOM 0 HG23 ILE B 13 6.572 -2.861 0.980 1.00 0.00 H new ATOM 0 HD11 ILE B 13 9.598 -1.041 0.248 1.00 0.00 H new ATOM 0 HD12 ILE B 13 8.324 -2.274 0.082 1.00 0.00 H new ATOM 0 HD13 ILE B 13 7.907 -0.629 0.618 1.00 0.00 H new ATOM 205 N ASN B 14 5.942 -1.951 5.346 1.00 0.00 N ATOM 206 CA ASN B 14 5.103 -2.588 6.342 1.00 0.00 C ATOM 207 C ASN B 14 3.986 -1.650 6.765 1.00 0.00 C ATOM 208 O ASN B 14 2.901 -2.089 7.161 1.00 0.00 O ATOM 209 CB ASN B 14 5.963 -2.972 7.545 1.00 0.00 C ATOM 210 CG ASN B 14 7.161 -3.821 7.144 1.00 0.00 C ATOM 211 OD1 ASN B 14 7.107 -5.049 7.180 1.00 0.00 O ATOM 212 ND2 ASN B 14 8.251 -3.166 6.751 1.00 0.00 N ATOM 0 H ASN B 14 6.832 -1.613 5.713 1.00 0.00 H new ATOM 0 HA ASN B 14 4.651 -3.485 5.920 1.00 0.00 H new ATOM 0 HB2 ASN B 14 6.311 -2.068 8.045 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.355 -3.520 8.265 1.00 0.00 H new ATOM 0 HD21 ASN B 14 9.082 -3.684 6.465 1.00 0.00 H new ATOM 0 HD22 ASN B 14 8.255 -2.146 6.735 1.00 0.00 H new ATOM 219 N SER B 15 4.260 -0.355 6.666 1.00 0.00 N ATOM 220 CA SER B 15 3.290 0.667 6.987 1.00 0.00 C ATOM 221 C SER B 15 2.105 0.568 6.041 1.00 0.00 C ATOM 222 O SER B 15 0.959 0.659 6.464 1.00 0.00 O ATOM 223 CB SER B 15 3.936 2.050 6.887 1.00 0.00 C ATOM 224 OG SER B 15 5.164 2.091 7.595 1.00 0.00 O ATOM 0 H SER B 15 5.162 0.009 6.360 1.00 0.00 H new ATOM 0 HA SER B 15 2.938 0.519 8.008 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.108 2.300 5.840 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.256 2.802 7.287 1.00 0.00 H new ATOM 0 HG SER B 15 5.566 2.980 7.501 1.00 0.00 H new ATOM 230 N VAL B 16 2.401 0.342 4.761 1.00 0.00 N ATOM 231 CA VAL B 16 1.370 0.198 3.735 1.00 0.00 C ATOM 232 C VAL B 16 0.348 -0.854 4.149 1.00 0.00 C ATOM 233 O VAL B 16 -0.861 -0.652 4.033 1.00 0.00 O ATOM 234 CB VAL B 16 1.980 -0.217 2.380 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.900 -0.367 1.320 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.034 0.780 1.931 1.00 0.00 C ATOM 0 H VAL B 16 3.354 0.254 4.409 1.00 0.00 H new ATOM 0 HA VAL B 16 0.885 1.168 3.628 1.00 0.00 H new ATOM 0 HB VAL B 16 2.462 -1.185 2.514 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.356 -0.660 0.374 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.188 -1.131 1.632 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.380 0.583 1.193 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.449 0.465 0.973 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.580 1.765 1.823 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.831 0.827 2.674 1.00 0.00 H new ATOM 246 N ASN B 17 0.856 -1.966 4.661 1.00 0.00 N ATOM 247 CA ASN B 17 0.012 -3.073 5.078 1.00 0.00 C ATOM 248 C ASN B 17 -0.863 -2.662 6.253 1.00 0.00 C ATOM 249 O ASN B 17 -2.048 -2.978 6.298 1.00 0.00 O ATOM 250 CB ASN B 17 0.880 -4.276 5.466 1.00 0.00 C ATOM 251 CG ASN B 17 0.089 -5.556 5.693 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.439 -6.363 6.551 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.958 -5.774 4.908 1.00 0.00 N ATOM 0 H ASN B 17 1.854 -2.124 4.797 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.633 -3.352 4.245 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.616 -4.449 4.681 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.433 -4.036 6.374 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -1.500 -6.633 5.007 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.221 -5.083 4.206 1.00 0.00 H new ATOM 260 N ASP B 18 -0.273 -1.930 7.186 1.00 0.00 N ATOM 261 CA ASP B 18 -0.975 -1.502 8.385 1.00 0.00 C ATOM 262 C ASP B 18 -1.977 -0.392 8.084 1.00 0.00 C ATOM 263 O ASP B 18 -2.989 -0.259 8.769 1.00 0.00 O ATOM 264 CB ASP B 18 0.025 -1.031 9.436 1.00 0.00 C ATOM 265 CG ASP B 18 0.024 -1.914 10.664 1.00 0.00 C ATOM 266 OD1 ASP B 18 -0.821 -1.695 11.557 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 0.862 -2.838 10.741 1.00 0.00 O ATOM 0 H ASP B 18 0.697 -1.619 7.134 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.530 -2.358 8.769 1.00 0.00 H new ATOM 0 HB2 ASP B 18 1.025 -1.016 9.002 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.211 -0.007 9.727 1.00 0.00 H new ATOM 272 N LYS B 19 -1.690 0.410 7.062 1.00 0.00 N ATOM 273 CA LYS B 19 -2.596 1.491 6.659 1.00 0.00 C ATOM 274 C LYS B 19 -3.852 0.946 6.009 1.00 0.00 C ATOM 275 O LYS B 19 -4.880 1.617 5.927 1.00 0.00 O ATOM 276 CB LYS B 19 -1.906 2.449 5.687 1.00 0.00 C ATOM 277 CG LYS B 19 -0.669 3.100 6.259 1.00 0.00 C ATOM 278 CD LYS B 19 -0.915 3.558 7.681 1.00 0.00 C ATOM 279 CE LYS B 19 -2.039 4.579 7.751 1.00 0.00 C ATOM 280 NZ LYS B 19 -2.189 5.152 9.113 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.843 0.336 6.498 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.872 2.030 7.565 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.635 1.904 4.783 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.612 3.225 5.392 1.00 0.00 H new ATOM 0 HG2 LYS B 19 0.162 2.395 6.237 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -0.381 3.951 5.642 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -1.164 2.698 8.303 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -0.002 3.992 8.088 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -1.844 5.382 7.040 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -2.975 4.108 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -2.966 5.843 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -2.401 4.390 9.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -1.305 5.624 9.390 1.00 0.00 H new ATOM 294 N LEU B 20 -3.750 -0.272 5.549 1.00 0.00 N ATOM 295 CA LEU B 20 -4.836 -0.900 4.809 1.00 0.00 C ATOM 296 C LEU B 20 -5.532 -1.996 5.614 1.00 0.00 C ATOM 297 O LEU B 20 -6.718 -2.256 5.412 1.00 0.00 O ATOM 298 CB LEU B 20 -4.320 -1.447 3.481 1.00 0.00 C ATOM 299 CG LEU B 20 -3.900 -0.387 2.462 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.431 -1.040 1.170 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.046 0.576 2.193 1.00 0.00 C ATOM 0 H LEU B 20 -2.925 -0.860 5.669 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.584 -0.132 4.613 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.467 -2.096 3.680 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.096 -2.069 3.036 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.067 0.179 2.878 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.137 -0.269 0.458 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.578 -1.686 1.378 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.242 -1.633 0.747 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.730 1.324 1.466 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.900 0.025 1.799 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.331 1.071 3.121 1.00 0.00 H new ATOM 313 N ASN B 21 -4.806 -2.627 6.526 1.00 0.00 N ATOM 314 CA ASN B 21 -5.381 -3.670 7.374 1.00 0.00 C ATOM 315 C ASN B 21 -6.154 -3.040 8.529 1.00 0.00 C ATOM 316 O ASN B 21 -5.732 -3.088 9.684 1.00 0.00 O ATOM 317 CB ASN B 21 -4.282 -4.589 7.916 1.00 0.00 C ATOM 318 CG ASN B 21 -4.834 -5.787 8.668 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.908 -6.298 8.348 1.00 0.00 O ATOM 320 ND2 ASN B 21 -4.108 -6.238 9.678 1.00 0.00 N ATOM 0 H ASN B 21 -3.819 -2.438 6.700 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.066 -4.267 6.772 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.666 -4.938 7.088 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.632 -4.018 8.579 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.433 -7.037 10.223 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -3.223 -5.787 9.912 1.00 0.00 H new ATOM 327 N LYS B 22 -7.281 -2.425 8.201 1.00 0.00 N ATOM 328 CA LYS B 22 -8.095 -1.735 9.193 1.00 0.00 C ATOM 329 C LYS B 22 -9.565 -2.101 9.041 1.00 0.00 C ATOM 330 O LYS B 22 -10.451 -1.273 9.261 1.00 0.00 O ATOM 331 CB LYS B 22 -7.912 -0.222 9.070 1.00 0.00 C ATOM 332 CG LYS B 22 -6.465 0.221 9.199 1.00 0.00 C ATOM 333 CD LYS B 22 -6.327 1.736 9.195 1.00 0.00 C ATOM 334 CE LYS B 22 -6.913 2.358 10.455 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.261 1.842 11.687 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.654 -2.389 7.252 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.765 -2.052 10.182 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.301 0.107 8.106 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.506 0.272 9.839 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.045 -0.178 10.122 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.884 -0.198 8.377 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.274 2.005 9.112 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.831 2.145 8.319 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -6.799 3.441 10.411 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -7.982 2.152 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.499 2.459 12.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.598 0.877 11.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -5.230 1.829 11.554 1.00 0.00 H new ATOM 349 N GLY B 23 -9.815 -3.339 8.645 1.00 0.00 N ATOM 350 CA GLY B 23 -11.177 -3.820 8.512 1.00 0.00 C ATOM 351 C GLY B 23 -11.783 -3.407 7.192 1.00 0.00 C ATOM 352 O GLY B 23 -12.894 -2.875 7.141 1.00 0.00 O ATOM 0 H GLY B 23 -9.096 -4.024 8.412 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.190 -4.907 8.595 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.783 -3.430 9.330 1.00 0.00 H new ATOM 356 N LYS B 24 -11.039 -3.644 6.126 1.00 0.00 N ATOM 357 CA LYS B 24 -11.432 -3.219 4.798 1.00 0.00 C ATOM 358 C LYS B 24 -11.296 -4.386 3.834 1.00 0.00 C ATOM 359 O LYS B 24 -11.417 -5.544 4.235 1.00 0.00 O ATOM 360 CB LYS B 24 -10.528 -2.069 4.348 1.00 0.00 C ATOM 361 CG LYS B 24 -10.314 -1.017 5.425 1.00 0.00 C ATOM 362 CD LYS B 24 -9.125 -0.115 5.129 1.00 0.00 C ATOM 363 CE LYS B 24 -9.278 0.648 3.825 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.156 1.605 3.620 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.146 -4.136 6.159 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.468 -2.882 4.811 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.561 -2.472 4.046 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.964 -1.595 3.469 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -11.214 -0.408 5.518 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.162 -1.510 6.385 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -9.000 0.594 5.947 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -8.218 -0.718 5.088 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -9.315 -0.055 2.993 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -10.224 1.189 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.196 1.985 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -8.237 2.386 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.250 1.114 3.762 1.00 0.00 H new ATOM 378 N GLY B 25 -11.059 -4.080 2.564 1.00 0.00 N ATOM 379 CA GLY B 25 -10.732 -5.122 1.613 1.00 0.00 C ATOM 380 C GLY B 25 -9.473 -5.831 2.043 1.00 0.00 C ATOM 381 O GLY B 25 -8.456 -5.184 2.291 1.00 0.00 O ATOM 0 H GLY B 25 -11.087 -3.136 2.179 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -11.555 -5.834 1.543 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -10.597 -4.692 0.621 1.00 0.00 H new ATOM 385 N LYS B 26 -9.531 -7.145 2.163 1.00 0.00 N ATOM 386 CA LYS B 26 -8.423 -7.870 2.740 1.00 0.00 C ATOM 387 C LYS B 26 -7.326 -8.088 1.729 1.00 0.00 C ATOM 388 O LYS B 26 -7.560 -8.555 0.613 1.00 0.00 O ATOM 389 CB LYS B 26 -8.881 -9.190 3.313 1.00 0.00 C ATOM 390 CG LYS B 26 -9.774 -9.034 4.522 1.00 0.00 C ATOM 391 CD LYS B 26 -10.325 -10.370 4.946 1.00 0.00 C ATOM 392 CE LYS B 26 -9.287 -11.232 5.638 1.00 0.00 C ATOM 393 NZ LYS B 26 -8.949 -10.724 6.996 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.321 -7.721 1.873 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.020 -7.263 3.551 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.415 -9.747 2.544 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -8.008 -9.782 3.588 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -9.211 -8.589 5.342 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.593 -8.353 4.291 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.170 -10.215 5.617 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -10.706 -10.897 4.071 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.659 -12.253 5.716 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -8.383 -11.268 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -8.398 -11.442 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.387 -9.853 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.825 -10.521 7.519 1.00 0.00 H new ATOM 407 N LEU B 27 -6.132 -7.759 2.154 1.00 0.00 N ATOM 408 CA LEU B 27 -4.981 -7.769 1.312 1.00 0.00 C ATOM 409 C LEU B 27 -3.746 -8.074 2.157 1.00 0.00 C ATOM 410 O LEU B 27 -3.229 -7.210 2.869 1.00 0.00 O ATOM 411 CB LEU B 27 -4.864 -6.413 0.631 1.00 0.00 C ATOM 412 CG LEU B 27 -3.533 -6.165 -0.029 1.00 0.00 C ATOM 413 CD1 LEU B 27 -3.371 -7.047 -1.258 1.00 0.00 C ATOM 414 CD2 LEU B 27 -3.367 -4.694 -0.378 1.00 0.00 C ATOM 0 H LEU B 27 -5.938 -7.473 3.114 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.067 -8.538 0.545 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.650 -6.327 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.041 -5.632 1.370 1.00 0.00 H new ATOM 0 HG LEU B 27 -2.745 -6.428 0.677 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.403 -6.853 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.429 -8.095 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.165 -6.826 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.398 -4.540 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.159 -4.391 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.424 -4.096 0.531 1.00 0.00 H new ATOM 426 N SER B 28 -3.297 -9.312 2.087 1.00 0.00 N ATOM 427 CA SER B 28 -2.200 -9.784 2.911 1.00 0.00 C ATOM 428 C SER B 28 -0.861 -9.476 2.261 1.00 0.00 C ATOM 429 O SER B 28 -0.455 -10.146 1.313 1.00 0.00 O ATOM 430 CB SER B 28 -2.350 -11.286 3.139 1.00 0.00 C ATOM 431 OG SER B 28 -2.586 -11.970 1.921 1.00 0.00 O ATOM 0 H SER B 28 -3.681 -10.018 1.459 1.00 0.00 H new ATOM 0 HA SER B 28 -2.230 -9.267 3.870 1.00 0.00 H new ATOM 0 HB2 SER B 28 -1.447 -11.677 3.609 1.00 0.00 H new ATOM 0 HB3 SER B 28 -3.174 -11.471 3.828 1.00 0.00 H new ATOM 0 HG SER B 28 -2.676 -12.930 2.097 1.00 0.00 H new ATOM 437 N LEU B 29 -0.175 -8.469 2.769 1.00 0.00 N ATOM 438 CA LEU B 29 1.090 -8.065 2.187 1.00 0.00 C ATOM 439 C LEU B 29 2.250 -8.832 2.800 1.00 0.00 C ATOM 440 O LEU B 29 2.195 -9.277 3.948 1.00 0.00 O ATOM 441 CB LEU B 29 1.327 -6.564 2.354 1.00 0.00 C ATOM 442 CG LEU B 29 0.265 -5.647 1.737 1.00 0.00 C ATOM 443 CD1 LEU B 29 0.680 -4.191 1.857 1.00 0.00 C ATOM 444 CD2 LEU B 29 0.033 -6.003 0.281 1.00 0.00 C ATOM 0 H LEU B 29 -0.470 -7.920 3.577 1.00 0.00 H new ATOM 0 HA LEU B 29 1.037 -8.296 1.123 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.396 -6.343 3.419 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.293 -6.317 1.914 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.666 -5.791 2.285 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.087 -3.556 1.413 1.00 0.00 H new ATOM 0 HD12 LEU B 29 0.801 -3.933 2.909 1.00 0.00 H new ATOM 0 HD13 LEU B 29 1.625 -4.038 1.335 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.724 -5.341 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU B 29 0.964 -5.888 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.308 -7.036 0.209 1.00 0.00 H new ATOM 456 N SER B 30 3.279 -8.992 2.003 1.00 0.00 N ATOM 457 CA SER B 30 4.511 -9.606 2.408 1.00 0.00 C ATOM 458 C SER B 30 5.667 -8.843 1.780 1.00 0.00 C ATOM 459 O SER B 30 5.566 -8.376 0.643 1.00 0.00 O ATOM 460 CB SER B 30 4.529 -11.054 1.983 1.00 0.00 C ATOM 461 OG SER B 30 3.517 -11.794 2.645 1.00 0.00 O ATOM 0 H SER B 30 3.278 -8.689 1.029 1.00 0.00 H new ATOM 0 HA SER B 30 4.607 -9.573 3.493 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.386 -11.121 0.904 1.00 0.00 H new ATOM 0 HB3 SER B 30 5.504 -11.488 2.203 1.00 0.00 H new ATOM 0 HG SER B 30 3.549 -12.728 2.351 1.00 0.00 H new ATOM 467 N MET B 31 6.757 -8.723 2.508 1.00 0.00 N ATOM 468 CA MET B 31 7.817 -7.804 2.129 1.00 0.00 C ATOM 469 C MET B 31 9.022 -8.560 1.591 1.00 0.00 C ATOM 470 O MET B 31 9.606 -9.392 2.286 1.00 0.00 O ATOM 471 CB MET B 31 8.229 -6.957 3.338 1.00 0.00 C ATOM 472 CG MET B 31 7.111 -6.728 4.350 1.00 0.00 C ATOM 473 SD MET B 31 5.656 -5.926 3.644 1.00 0.00 S ATOM 474 CE MET B 31 4.528 -6.002 5.032 1.00 0.00 C ATOM 0 H MET B 31 6.935 -9.248 3.364 1.00 0.00 H new ATOM 0 HA MET B 31 7.441 -7.151 1.341 1.00 0.00 H new ATOM 0 HB2 MET B 31 9.065 -7.444 3.841 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.588 -5.990 2.985 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.817 -7.686 4.778 1.00 0.00 H new ATOM 0 HG3 MET B 31 7.492 -6.117 5.169 1.00 0.00 H new ATOM 0 HE1 MET B 31 3.749 -5.249 4.909 1.00 0.00 H new ATOM 0 HE2 MET B 31 4.073 -6.991 5.077 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.074 -5.811 5.956 1.00 0.00 H new ATOM 484 N ASN B 32 9.386 -8.272 0.350 1.00 0.00 N ATOM 485 CA ASN B 32 10.559 -8.881 -0.259 1.00 0.00 C ATOM 486 C ASN B 32 11.382 -7.806 -0.969 1.00 0.00 C ATOM 487 O ASN B 32 11.628 -7.881 -2.170 1.00 0.00 O ATOM 488 CB ASN B 32 10.126 -9.990 -1.236 1.00 0.00 C ATOM 489 CG ASN B 32 11.285 -10.841 -1.731 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.876 -10.573 -2.780 1.00 0.00 O ATOM 491 ND2 ASN B 32 11.621 -11.877 -0.979 1.00 0.00 N ATOM 0 H ASN B 32 8.886 -7.620 -0.255 1.00 0.00 H new ATOM 0 HA ASN B 32 11.181 -9.336 0.512 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.396 -10.633 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN B 32 9.626 -9.536 -2.092 1.00 0.00 H new ATOM 0 HD21 ASN B 32 12.391 -12.484 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN B 32 11.110 -12.069 -0.117 1.00 0.00 H new ATOM 498 N GLY B 33 11.812 -6.810 -0.191 1.00 0.00 N ATOM 499 CA GLY B 33 12.627 -5.712 -0.705 1.00 0.00 C ATOM 500 C GLY B 33 12.064 -5.056 -1.941 1.00 0.00 C ATOM 501 O GLY B 33 11.160 -4.229 -1.862 1.00 0.00 O ATOM 0 H GLY B 33 11.606 -6.744 0.806 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.737 -4.959 0.075 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.625 -6.088 -0.928 1.00 0.00 H new ATOM 505 N ASN B 34 12.607 -5.441 -3.084 1.00 0.00 N ATOM 506 CA ASN B 34 12.224 -4.866 -4.362 1.00 0.00 C ATOM 507 C ASN B 34 10.913 -5.459 -4.859 1.00 0.00 C ATOM 508 O ASN B 34 10.484 -5.178 -5.978 1.00 0.00 O ATOM 509 CB ASN B 34 13.331 -5.093 -5.396 1.00 0.00 C ATOM 510 CG ASN B 34 13.646 -6.563 -5.607 1.00 0.00 C ATOM 511 OD1 ASN B 34 14.456 -7.145 -4.882 1.00 0.00 O ATOM 512 ND2 ASN B 34 13.028 -7.170 -6.606 1.00 0.00 N ATOM 0 H ASN B 34 13.326 -6.161 -3.152 1.00 0.00 H new ATOM 0 HA ASN B 34 12.080 -3.795 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.031 -4.650 -6.346 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.234 -4.575 -5.074 1.00 0.00 H new ATOM 0 HD21 ASN B 34 13.215 -8.154 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.364 -6.654 -7.184 1.00 0.00 H new ATOM 519 N GLN B 35 10.295 -6.299 -4.037 1.00 0.00 N ATOM 520 CA GLN B 35 8.982 -6.828 -4.341 1.00 0.00 C ATOM 521 C GLN B 35 8.056 -6.655 -3.165 1.00 0.00 C ATOM 522 O GLN B 35 8.466 -6.717 -2.003 1.00 0.00 O ATOM 523 CB GLN B 35 9.025 -8.306 -4.705 1.00 0.00 C ATOM 524 CG GLN B 35 10.023 -8.621 -5.788 1.00 0.00 C ATOM 525 CD GLN B 35 9.982 -10.072 -6.213 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.252 -10.439 -7.133 1.00 0.00 O ATOM 527 NE2 GLN B 35 10.755 -10.908 -5.539 1.00 0.00 N ATOM 0 H GLN B 35 10.688 -6.626 -3.154 1.00 0.00 H new ATOM 0 HA GLN B 35 8.615 -6.267 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN B 35 9.269 -8.886 -3.815 1.00 0.00 H new ATOM 0 HB3 GLN B 35 8.034 -8.623 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN B 35 9.827 -7.987 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN B 35 11.025 -8.378 -5.435 1.00 0.00 H new ATOM 0 HE21 GLN B 35 11.345 -10.560 -4.783 1.00 0.00 H new ATOM 0 HE22 GLN B 35 10.761 -11.900 -5.775 1.00 0.00 H new ATOM 536 N LEU B 36 6.806 -6.461 -3.488 1.00 0.00 N ATOM 537 CA LEU B 36 5.763 -6.394 -2.493 1.00 0.00 C ATOM 538 C LEU B 36 4.722 -7.436 -2.849 1.00 0.00 C ATOM 539 O LEU B 36 3.969 -7.287 -3.813 1.00 0.00 O ATOM 540 CB LEU B 36 5.153 -4.994 -2.433 1.00 0.00 C ATOM 541 CG LEU B 36 4.674 -4.542 -1.047 1.00 0.00 C ATOM 542 CD1 LEU B 36 4.172 -3.109 -1.099 1.00 0.00 C ATOM 543 CD2 LEU B 36 3.585 -5.459 -0.515 1.00 0.00 C ATOM 0 H LEU B 36 6.479 -6.345 -4.447 1.00 0.00 H new ATOM 0 HA LEU B 36 6.170 -6.598 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.892 -4.279 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.308 -4.955 -3.121 1.00 0.00 H new ATOM 0 HG LEU B 36 5.524 -4.594 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU B 36 3.836 -2.805 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU B 36 4.978 -2.453 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU B 36 3.341 -3.040 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU B 36 3.266 -5.113 0.468 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.735 -5.448 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU B 36 3.972 -6.475 -0.434 1.00 0.00 H new ATOM 555 N LYS B 37 4.710 -8.497 -2.076 1.00 0.00 N ATOM 556 CA LYS B 37 3.918 -9.670 -2.381 1.00 0.00 C ATOM 557 C LYS B 37 2.621 -9.589 -1.605 1.00 0.00 C ATOM 558 O LYS B 37 2.577 -8.952 -0.554 1.00 0.00 O ATOM 559 CB LYS B 37 4.712 -10.923 -2.009 1.00 0.00 C ATOM 560 CG LYS B 37 6.183 -10.847 -2.410 1.00 0.00 C ATOM 561 CD LYS B 37 6.376 -10.807 -3.918 1.00 0.00 C ATOM 562 CE LYS B 37 5.868 -12.075 -4.589 1.00 0.00 C ATOM 563 NZ LYS B 37 6.580 -13.287 -4.105 1.00 0.00 N1+ ATOM 0 H LYS B 37 5.251 -8.573 -1.214 1.00 0.00 H new ATOM 0 HA LYS B 37 3.688 -9.719 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS B 37 4.644 -11.082 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS B 37 4.256 -11.789 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS B 37 6.631 -9.958 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS B 37 6.712 -11.708 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.852 -9.944 -4.328 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.434 -10.675 -4.145 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.800 -12.182 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.993 -11.988 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.353 -14.093 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 7.606 -13.116 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 6.280 -13.501 -3.133 1.00 0.00 H new ATOM 577 N ALA B 38 1.562 -10.208 -2.099 1.00 0.00 N ATOM 578 CA ALA B 38 0.263 -9.999 -1.498 1.00 0.00 C ATOM 579 C ALA B 38 -0.757 -11.033 -1.931 1.00 0.00 C ATOM 580 O ALA B 38 -0.651 -11.616 -3.009 1.00 0.00 O ATOM 581 CB ALA B 38 -0.230 -8.608 -1.849 1.00 0.00 C ATOM 0 H ALA B 38 1.577 -10.844 -2.896 1.00 0.00 H new ATOM 0 HA ALA B 38 0.379 -10.103 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.209 -8.445 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.473 -7.866 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.308 -8.512 -2.932 1.00 0.00 H new ATOM 587 N THR B 39 -1.729 -11.274 -1.065 1.00 0.00 N ATOM 588 CA THR B 39 -2.889 -12.064 -1.420 1.00 0.00 C ATOM 589 C THR B 39 -4.133 -11.299 -0.981 1.00 0.00 C ATOM 590 O THR B 39 -4.012 -10.280 -0.307 1.00 0.00 O ATOM 591 CB THR B 39 -2.846 -13.446 -0.748 1.00 0.00 C ATOM 592 OG1 THR B 39 -1.492 -13.762 -0.384 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.367 -14.512 -1.694 1.00 0.00 C ATOM 0 H THR B 39 -1.733 -10.929 -0.105 1.00 0.00 H new ATOM 0 HA THR B 39 -2.904 -12.229 -2.497 1.00 0.00 H new ATOM 0 HB THR B 39 -3.475 -13.420 0.142 1.00 0.00 H new ATOM 0 HG1 THR B 39 -1.281 -13.351 0.480 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.330 -15.484 -1.203 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.397 -14.283 -1.968 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.749 -14.535 -2.592 1.00 0.00 H new ATOM 601 N SER B 40 -5.312 -11.755 -1.353 1.00 0.00 N ATOM 602 CA SER B 40 -6.521 -11.032 -0.996 1.00 0.00 C ATOM 603 C SER B 40 -7.574 -11.966 -0.405 1.00 0.00 C ATOM 604 O SER B 40 -7.622 -13.154 -0.736 1.00 0.00 O ATOM 605 CB SER B 40 -7.057 -10.287 -2.219 1.00 0.00 C ATOM 606 OG SER B 40 -7.133 -11.145 -3.349 1.00 0.00 O ATOM 0 H SER B 40 -5.461 -12.607 -1.893 1.00 0.00 H new ATOM 0 HA SER B 40 -6.277 -10.302 -0.224 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.045 -9.883 -1.998 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.410 -9.440 -2.445 1.00 0.00 H new ATOM 0 HG SER B 40 -7.480 -10.645 -4.117 1.00 0.00 H new ATOM 612 N SER B 41 -8.401 -11.430 0.483 1.00 0.00 N ATOM 613 CA SER B 41 -9.425 -12.219 1.145 1.00 0.00 C ATOM 614 C SER B 41 -10.777 -11.531 1.057 1.00 0.00 C ATOM 615 O SER B 41 -10.870 -10.301 0.936 1.00 0.00 O ATOM 616 CB SER B 41 -9.033 -12.500 2.590 1.00 0.00 C ATOM 617 OG SER B 41 -9.964 -13.356 3.223 1.00 0.00 O ATOM 0 H SER B 41 -8.380 -10.449 0.760 1.00 0.00 H new ATOM 0 HA SER B 41 -9.511 -13.177 0.632 1.00 0.00 H new ATOM 0 HB2 SER B 41 -8.043 -12.954 2.618 1.00 0.00 H new ATOM 0 HB3 SER B 41 -8.968 -11.561 3.140 1.00 0.00 H new ATOM 0 HG SER B 41 -9.546 -13.771 4.006 1.00 0.00 H new ATOM 623 N ASN B 42 -11.819 -12.342 1.164 1.00 0.00 N ATOM 624 CA ASN B 42 -13.151 -11.946 0.751 1.00 0.00 C ATOM 625 C ASN B 42 -14.103 -11.866 1.925 1.00 0.00 C ATOM 626 O ASN B 42 -15.292 -12.163 1.794 1.00 0.00 O ATOM 627 CB ASN B 42 -13.705 -12.913 -0.299 1.00 0.00 C ATOM 628 CG ASN B 42 -12.903 -12.898 -1.582 1.00 0.00 C ATOM 629 OD1 ASN B 42 -11.989 -13.704 -1.770 1.00 0.00 O ATOM 630 ND2 ASN B 42 -13.228 -11.972 -2.467 1.00 0.00 N ATOM 0 H ASN B 42 -11.762 -13.289 1.539 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.067 -10.951 0.313 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -13.711 -13.923 0.110 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -14.740 -12.652 -0.518 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.715 -11.904 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.992 -11.325 -2.271 1.00 0.00 H new ATOM 637 N ALA B 43 -13.573 -11.481 3.074 1.00 0.00 N ATOM 638 CA ALA B 43 -14.415 -11.209 4.243 1.00 0.00 C ATOM 639 C ALA B 43 -15.438 -10.145 3.913 1.00 0.00 C ATOM 640 O ALA B 43 -16.565 -10.146 4.409 1.00 0.00 O ATOM 641 CB ALA B 43 -13.586 -10.734 5.417 1.00 0.00 C ATOM 0 H ALA B 43 -12.574 -11.349 3.229 1.00 0.00 H new ATOM 0 HA ALA B 43 -14.914 -12.140 4.512 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -14.238 -10.541 6.269 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -12.859 -11.502 5.684 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.062 -9.817 5.146 1.00 0.00 H new ATOM 647 N GLY B 44 -15.013 -9.246 3.064 1.00 0.00 N ATOM 648 CA GLY B 44 -15.821 -8.129 2.669 1.00 0.00 C ATOM 649 C GLY B 44 -14.970 -7.068 2.029 1.00 0.00 C ATOM 650 O GLY B 44 -14.265 -7.343 1.054 1.00 0.00 O ATOM 0 H GLY B 44 -14.092 -9.271 2.627 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.591 -8.457 1.970 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -16.334 -7.718 3.538 1.00 0.00 H new ATOM 654 N TYR B 45 -14.995 -5.876 2.598 1.00 0.00 N ATOM 655 CA TYR B 45 -14.249 -4.759 2.073 1.00 0.00 C ATOM 656 C TYR B 45 -14.409 -3.512 2.943 1.00 0.00 C ATOM 657 O TYR B 45 -14.891 -3.590 4.073 1.00 0.00 O ATOM 658 CB TYR B 45 -14.662 -4.461 0.640 1.00 0.00 C ATOM 659 CG TYR B 45 -16.154 -4.333 0.402 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.869 -3.235 0.864 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.842 -5.310 -0.305 1.00 0.00 C ATOM 662 CE1 TYR B 45 -18.226 -3.117 0.632 1.00 0.00 C ATOM 663 CE2 TYR B 45 -18.196 -5.198 -0.545 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.883 -4.102 -0.074 1.00 0.00 C ATOM 665 OH TYR B 45 -20.234 -3.988 -0.315 1.00 0.00 O ATOM 0 H TYR B 45 -15.534 -5.661 3.436 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.195 -5.038 2.084 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -14.181 -3.534 0.328 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -14.276 -5.252 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -16.355 -2.460 1.414 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -16.308 -6.173 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -18.768 -2.259 1.001 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.714 -5.966 -1.100 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.542 -4.765 -0.826 1.00 0.00 H new ATOM 675 N GLY B 46 -13.993 -2.367 2.405 1.00 0.00 N ATOM 676 CA GLY B 46 -14.013 -1.130 3.147 1.00 0.00 C ATOM 677 C GLY B 46 -15.396 -0.529 3.259 1.00 0.00 C ATOM 678 O GLY B 46 -16.056 -0.276 2.253 1.00 0.00 O ATOM 0 H GLY B 46 -13.638 -2.281 1.453 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.618 -1.307 4.147 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.349 -0.413 2.664 1.00 0.00 H new ATOM 682 N ILE B 47 -15.836 -0.319 4.488 1.00 0.00 N ATOM 683 CA ILE B 47 -17.105 0.344 4.751 1.00 0.00 C ATOM 684 C ILE B 47 -16.838 1.723 5.268 1.00 0.00 C ATOM 685 O ILE B 47 -17.249 2.733 4.695 1.00 0.00 O ATOM 686 CB ILE B 47 -17.919 -0.336 5.863 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.782 -1.856 5.821 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.376 0.085 5.769 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.646 -2.388 6.670 1.00 0.00 C ATOM 0 H ILE B 47 -15.329 -0.600 5.327 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.656 0.319 3.811 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.518 -0.010 6.823 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.716 -2.306 6.157 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.630 -2.170 4.788 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.947 -0.401 6.560 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.450 1.167 5.880 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.778 -0.209 4.799 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.610 -3.475 6.591 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.703 -1.967 6.321 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.806 -2.105 7.710 1.00 0.00 H new ATOM 701 N SER B 48 -16.161 1.715 6.400 1.00 0.00 N ATOM 702 CA SER B 48 -15.872 2.910 7.153 1.00 0.00 C ATOM 703 C SER B 48 -15.114 3.934 6.328 1.00 0.00 C ATOM 704 O SER B 48 -14.609 3.649 5.240 1.00 0.00 O ATOM 705 CB SER B 48 -15.053 2.548 8.388 1.00 0.00 C ATOM 706 OG SER B 48 -15.538 1.357 8.987 1.00 0.00 O ATOM 0 H SER B 48 -15.793 0.864 6.825 1.00 0.00 H new ATOM 0 HA SER B 48 -16.823 3.356 7.445 1.00 0.00 H new ATOM 0 HB2 SER B 48 -14.007 2.420 8.111 1.00 0.00 H new ATOM 0 HB3 SER B 48 -15.094 3.365 9.109 1.00 0.00 H new ATOM 0 HG SER B 48 -14.997 1.144 9.776 1.00 0.00 H new ATOM 712 N TYR B 49 -15.060 5.124 6.892 1.00 0.00 N ATOM 713 CA TYR B 49 -14.315 6.256 6.341 1.00 0.00 C ATOM 714 C TYR B 49 -15.026 6.857 5.133 1.00 0.00 C ATOM 715 O TYR B 49 -14.469 7.705 4.437 1.00 0.00 O ATOM 716 CB TYR B 49 -12.901 5.836 5.944 1.00 0.00 C ATOM 717 CG TYR B 49 -12.096 5.208 7.063 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.699 5.947 8.167 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.748 3.862 7.016 1.00 0.00 C ATOM 720 CE1 TYR B 49 -10.979 5.366 9.194 1.00 0.00 C ATOM 721 CE2 TYR B 49 -11.033 3.272 8.040 1.00 0.00 C ATOM 722 CZ TYR B 49 -10.650 4.029 9.125 1.00 0.00 C ATOM 723 OH TYR B 49 -9.949 3.444 10.155 1.00 0.00 O ATOM 0 H TYR B 49 -15.540 5.343 7.765 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.257 7.014 7.123 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.964 5.128 5.117 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -12.366 6.711 5.575 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -11.957 6.994 8.225 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -12.042 3.268 6.164 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -10.676 5.956 10.046 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.776 2.224 7.990 1.00 0.00 H new ATOM 0 HH TYR B 49 -10.082 2.473 10.131 1.00 0.00 H new ATOM 733 N GLU B 50 -16.261 6.418 4.919 1.00 0.00 N ATOM 734 CA GLU B 50 -17.069 6.837 3.778 1.00 0.00 C ATOM 735 C GLU B 50 -16.289 6.732 2.472 1.00 0.00 C ATOM 736 O GLU B 50 -16.019 5.636 1.984 1.00 0.00 O ATOM 737 CB GLU B 50 -17.573 8.259 3.984 1.00 0.00 C ATOM 738 CG GLU B 50 -18.708 8.362 4.978 1.00 0.00 C ATOM 739 CD GLU B 50 -19.200 9.781 5.148 1.00 0.00 C ATOM 740 OE1 GLU B 50 -18.570 10.547 5.904 1.00 0.00 O ATOM 741 OE2 GLU B 50 -20.221 10.142 4.525 1.00 0.00 O1- ATOM 0 H GLU B 50 -16.734 5.757 5.536 1.00 0.00 H new ATOM 0 HA GLU B 50 -17.924 6.164 3.708 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.746 8.883 4.324 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.903 8.661 3.026 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -19.534 7.731 4.649 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -18.378 7.977 5.943 1.00 0.00 H new ATOM 748 N ASP B 51 -15.935 7.875 1.908 1.00 0.00 N ATOM 749 CA ASP B 51 -15.069 7.906 0.746 1.00 0.00 C ATOM 750 C ASP B 51 -13.932 8.901 0.956 1.00 0.00 C ATOM 751 O ASP B 51 -14.139 10.110 1.058 1.00 0.00 O ATOM 752 CB ASP B 51 -15.864 8.220 -0.531 1.00 0.00 C ATOM 753 CG ASP B 51 -16.425 9.628 -0.585 1.00 0.00 C ATOM 754 OD1 ASP B 51 -17.506 9.867 -0.003 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -15.803 10.498 -1.230 1.00 0.00 O ATOM 0 H ASP B 51 -16.235 8.792 2.238 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.631 6.916 0.618 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.218 8.065 -1.395 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -16.686 7.510 -0.617 1.00 0.00 H new ATOM 760 N LYS B 52 -12.728 8.367 1.077 1.00 0.00 N ATOM 761 CA LYS B 52 -11.530 9.181 1.203 1.00 0.00 C ATOM 762 C LYS B 52 -10.459 8.637 0.274 1.00 0.00 C ATOM 763 O LYS B 52 -10.297 7.423 0.164 1.00 0.00 O ATOM 764 CB LYS B 52 -11.009 9.163 2.639 1.00 0.00 C ATOM 765 CG LYS B 52 -12.029 9.617 3.672 1.00 0.00 C ATOM 766 CD LYS B 52 -11.452 9.588 5.079 1.00 0.00 C ATOM 767 CE LYS B 52 -12.497 9.970 6.117 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.931 9.997 7.492 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.554 7.362 1.091 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.776 10.209 0.936 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.684 8.152 2.884 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -10.130 9.805 2.704 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -12.362 10.628 3.436 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.907 8.973 3.625 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -11.069 8.591 5.296 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -10.607 10.274 5.141 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -12.908 10.950 5.875 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -13.323 9.260 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -12.675 10.261 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -11.562 9.055 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -11.160 10.693 7.536 1.00 0.00 H new ATOM 782 N ASN B 53 -9.748 9.524 -0.398 1.00 0.00 N ATOM 783 CA ASN B 53 -8.705 9.115 -1.323 1.00 0.00 C ATOM 784 C ASN B 53 -7.336 9.520 -0.801 1.00 0.00 C ATOM 785 O ASN B 53 -7.137 10.647 -0.346 1.00 0.00 O ATOM 786 CB ASN B 53 -8.937 9.709 -2.719 1.00 0.00 C ATOM 787 CG ASN B 53 -9.191 11.208 -2.710 1.00 0.00 C ATOM 788 OD1 ASN B 53 -8.265 12.008 -2.790 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.453 11.599 -2.629 1.00 0.00 N ATOM 0 H ASN B 53 -9.873 10.533 -0.321 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.742 8.029 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.067 9.500 -3.342 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.788 9.208 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -10.680 12.593 -2.632 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -11.198 10.906 -2.564 1.00 0.00 H new ATOM 796 N TRP B 54 -6.403 8.586 -0.843 1.00 0.00 N ATOM 797 CA TRP B 54 -5.043 8.857 -0.447 1.00 0.00 C ATOM 798 C TRP B 54 -4.075 8.121 -1.367 1.00 0.00 C ATOM 799 O TRP B 54 -4.497 7.338 -2.222 1.00 0.00 O ATOM 800 CB TRP B 54 -4.828 8.497 1.025 1.00 0.00 C ATOM 801 CG TRP B 54 -5.021 7.054 1.370 1.00 0.00 C ATOM 802 CD1 TRP B 54 -6.200 6.376 1.483 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.987 6.126 1.694 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.961 5.072 1.848 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.604 4.893 1.984 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.595 6.221 1.760 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.868 3.762 2.340 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.872 5.100 2.109 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.507 3.886 2.396 1.00 0.00 C ATOM 0 H TRP B 54 -6.570 7.628 -1.151 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.845 9.924 -0.546 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.816 8.788 1.308 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.512 9.092 1.630 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -7.178 6.801 1.311 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.672 4.356 1.994 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -2.095 7.153 1.542 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.355 2.824 2.563 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.795 5.160 2.162 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.909 3.029 2.668 1.00 0.00 H new ATOM 820 N GLY B 55 -2.787 8.386 -1.215 1.00 0.00 N ATOM 821 CA GLY B 55 -1.813 7.842 -2.135 1.00 0.00 C ATOM 822 C GLY B 55 -0.641 7.174 -1.450 1.00 0.00 C ATOM 823 O GLY B 55 -0.145 7.660 -0.431 1.00 0.00 O ATOM 0 H GLY B 55 -2.400 8.967 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.304 7.118 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.441 8.643 -2.774 1.00 0.00 H new ATOM 827 N ILE B 56 -0.217 6.045 -2.001 1.00 0.00 N ATOM 828 CA ILE B 56 1.027 5.411 -1.600 1.00 0.00 C ATOM 829 C ILE B 56 2.080 5.652 -2.675 1.00 0.00 C ATOM 830 O ILE B 56 1.742 5.818 -3.853 1.00 0.00 O ATOM 831 CB ILE B 56 0.837 3.901 -1.392 1.00 0.00 C ATOM 832 CG1 ILE B 56 -0.357 3.655 -0.479 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.090 3.279 -0.791 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.865 2.240 -0.531 1.00 0.00 C ATOM 0 H ILE B 56 -0.723 5.547 -2.733 1.00 0.00 H new ATOM 0 HA ILE B 56 1.350 5.845 -0.654 1.00 0.00 H new ATOM 0 HB ILE B 56 0.654 3.435 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE B 56 -0.077 3.896 0.547 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -1.164 4.334 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.934 2.209 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.933 3.439 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.301 3.743 0.172 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.715 2.134 0.142 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.176 2.002 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.072 1.557 -0.225 1.00 0.00 H new ATOM 846 N PHE B 57 3.342 5.687 -2.275 1.00 0.00 N ATOM 847 CA PHE B 57 4.418 6.071 -3.183 1.00 0.00 C ATOM 848 C PHE B 57 5.570 5.070 -3.153 1.00 0.00 C ATOM 849 O PHE B 57 5.848 4.490 -2.115 1.00 0.00 O ATOM 850 CB PHE B 57 4.879 7.485 -2.809 1.00 0.00 C ATOM 851 CG PHE B 57 3.714 8.435 -2.819 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.289 9.003 -4.006 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.996 8.698 -1.664 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.174 9.813 -4.044 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.889 9.516 -1.694 1.00 0.00 C ATOM 856 CZ PHE B 57 1.474 10.072 -2.884 1.00 0.00 C ATOM 0 H PHE B 57 3.648 5.455 -1.330 1.00 0.00 H new ATOM 0 HA PHE B 57 4.050 6.067 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.340 7.475 -1.821 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.640 7.824 -3.512 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.838 8.809 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.308 8.256 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.849 10.244 -4.980 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.346 9.722 -0.784 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.602 10.709 -2.909 1.00 0.00 H new ATOM 866 N VAL B 58 6.222 4.849 -4.304 1.00 0.00 N ATOM 867 CA VAL B 58 7.351 3.944 -4.377 1.00 0.00 C ATOM 868 C VAL B 58 8.450 4.588 -5.206 1.00 0.00 C ATOM 869 O VAL B 58 8.165 5.262 -6.194 1.00 0.00 O ATOM 870 CB VAL B 58 6.946 2.582 -4.982 1.00 0.00 C ATOM 871 CG1 VAL B 58 6.617 2.702 -6.464 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.039 1.553 -4.753 1.00 0.00 C ATOM 0 H VAL B 58 5.978 5.290 -5.191 1.00 0.00 H new ATOM 0 HA VAL B 58 7.714 3.754 -3.367 1.00 0.00 H new ATOM 0 HB VAL B 58 6.042 2.248 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.337 1.724 -6.855 1.00 0.00 H new ATOM 0 HG12 VAL B 58 5.788 3.397 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.490 3.071 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL B 58 7.737 0.599 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL B 58 8.961 1.890 -5.226 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.204 1.430 -3.683 1.00 0.00 H new ATOM 882 N ASN B 59 9.703 4.403 -4.787 1.00 0.00 N ATOM 883 CA ASN B 59 10.855 5.093 -5.380 1.00 0.00 C ATOM 884 C ASN B 59 10.759 6.580 -5.085 1.00 0.00 C ATOM 885 O ASN B 59 11.591 7.370 -5.533 1.00 0.00 O ATOM 886 CB ASN B 59 10.943 4.907 -6.902 1.00 0.00 C ATOM 887 CG ASN B 59 10.735 3.482 -7.366 1.00 0.00 C ATOM 888 OD1 ASN B 59 11.672 2.687 -7.451 1.00 0.00 O ATOM 889 ND2 ASN B 59 9.497 3.171 -7.701 1.00 0.00 N ATOM 0 H ASN B 59 9.950 3.770 -4.026 1.00 0.00 H new ATOM 0 HA ASN B 59 11.749 4.655 -4.936 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.198 5.545 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN B 59 11.920 5.249 -7.243 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.282 2.236 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN B 59 8.755 3.865 -7.612 1.00 0.00 H new ATOM 896 N GLY B 60 9.738 6.958 -4.324 1.00 0.00 N ATOM 897 CA GLY B 60 9.457 8.347 -4.124 1.00 0.00 C ATOM 898 C GLY B 60 8.447 8.858 -5.136 1.00 0.00 C ATOM 899 O GLY B 60 8.132 10.045 -5.182 1.00 0.00 O ATOM 0 H GLY B 60 9.105 6.317 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.074 8.501 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.379 8.922 -4.206 1.00 0.00 H new ATOM 903 N GLU B 61 7.952 7.938 -5.946 1.00 0.00 N ATOM 904 CA GLU B 61 6.943 8.212 -6.951 1.00 0.00 C ATOM 905 C GLU B 61 5.634 7.664 -6.494 1.00 0.00 C ATOM 906 O GLU B 61 5.576 7.020 -5.481 1.00 0.00 O ATOM 907 CB GLU B 61 7.301 7.563 -8.259 1.00 0.00 C ATOM 908 CG GLU B 61 7.923 8.536 -9.225 1.00 0.00 C ATOM 909 CD GLU B 61 7.252 9.892 -9.191 1.00 0.00 C ATOM 910 OE1 GLU B 61 6.115 10.010 -9.698 1.00 0.00 O ATOM 911 OE2 GLU B 61 7.854 10.848 -8.665 1.00 0.00 O1- ATOM 0 H GLU B 61 8.247 6.962 -5.922 1.00 0.00 H new ATOM 0 HA GLU B 61 6.882 9.291 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU B 61 7.993 6.741 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.405 7.132 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.981 8.651 -8.990 1.00 0.00 H new ATOM 0 HG3 GLU B 61 7.864 8.130 -10.235 1.00 0.00 H new ATOM 918 N LYS B 62 4.600 7.884 -7.248 1.00 0.00 N ATOM 919 CA LYS B 62 3.311 7.306 -6.929 1.00 0.00 C ATOM 920 C LYS B 62 3.370 5.788 -7.116 1.00 0.00 C ATOM 921 O LYS B 62 4.326 5.267 -7.696 1.00 0.00 O ATOM 922 CB LYS B 62 2.267 7.965 -7.820 1.00 0.00 C ATOM 923 CG LYS B 62 0.839 7.557 -7.531 1.00 0.00 C ATOM 924 CD LYS B 62 0.011 8.756 -7.105 1.00 0.00 C ATOM 925 CE LYS B 62 -0.543 8.583 -5.710 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.610 9.574 -5.417 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.614 8.458 -8.091 1.00 0.00 H new ATOM 0 HA LYS B 62 3.039 7.485 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.350 9.047 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.495 7.728 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.399 7.103 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.824 6.801 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.626 9.655 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -0.810 8.900 -7.808 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.942 7.575 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.262 8.689 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -2.261 9.184 -4.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.181 10.448 -5.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -2.136 9.785 -6.289 1.00 0.00 H new ATOM 940 N VAL B 63 2.425 5.075 -6.523 1.00 0.00 N ATOM 941 CA VAL B 63 2.267 3.652 -6.796 1.00 0.00 C ATOM 942 C VAL B 63 0.831 3.214 -6.552 1.00 0.00 C ATOM 943 O VAL B 63 0.424 2.126 -6.959 1.00 0.00 O ATOM 944 CB VAL B 63 3.226 2.786 -5.942 1.00 0.00 C ATOM 945 CG1 VAL B 63 2.811 2.769 -4.479 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.315 1.368 -6.496 1.00 0.00 C ATOM 0 H VAL B 63 1.757 5.455 -5.852 1.00 0.00 H new ATOM 0 HA VAL B 63 2.520 3.501 -7.846 1.00 0.00 H new ATOM 0 HB VAL B 63 4.216 3.239 -5.998 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.507 2.152 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL B 63 2.823 3.785 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL B 63 1.805 2.358 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL B 63 3.994 0.779 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.326 0.910 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.689 1.400 -7.519 1.00 0.00 H new ATOM 956 N TYR B 64 0.048 4.075 -5.920 1.00 0.00 N ATOM 957 CA TYR B 64 -1.293 3.686 -5.516 1.00 0.00 C ATOM 958 C TYR B 64 -2.172 4.905 -5.280 1.00 0.00 C ATOM 959 O TYR B 64 -1.800 5.832 -4.560 1.00 0.00 O ATOM 960 CB TYR B 64 -1.208 2.853 -4.239 1.00 0.00 C ATOM 961 CG TYR B 64 -2.205 1.718 -4.132 1.00 0.00 C ATOM 962 CD1 TYR B 64 -3.402 1.733 -4.832 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.943 0.629 -3.306 1.00 0.00 C ATOM 964 CE1 TYR B 64 -4.307 0.699 -4.710 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.843 -0.410 -3.183 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.024 -0.370 -3.886 1.00 0.00 C ATOM 967 OH TYR B 64 -4.927 -1.400 -3.767 1.00 0.00 O ATOM 0 H TYR B 64 0.312 5.031 -5.679 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.742 3.099 -6.317 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -0.203 2.438 -4.163 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.345 3.515 -3.384 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.629 2.566 -5.482 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -1.017 0.596 -2.750 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -5.236 0.727 -5.259 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.621 -1.248 -2.539 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.720 -1.086 -3.284 1.00 0.00 H new ATOM 977 N THR B 65 -3.328 4.879 -5.912 1.00 0.00 N ATOM 978 CA THR B 65 -4.347 5.910 -5.756 1.00 0.00 C ATOM 979 C THR B 65 -5.709 5.234 -5.655 1.00 0.00 C ATOM 980 O THR B 65 -6.079 4.451 -6.535 1.00 0.00 O ATOM 981 CB THR B 65 -4.343 6.892 -6.945 1.00 0.00 C ATOM 982 OG1 THR B 65 -3.015 7.388 -7.160 1.00 0.00 O ATOM 983 CG2 THR B 65 -5.289 8.059 -6.693 1.00 0.00 C ATOM 0 H THR B 65 -3.594 4.135 -6.557 1.00 0.00 H new ATOM 0 HA THR B 65 -4.133 6.482 -4.853 1.00 0.00 H new ATOM 0 HB THR B 65 -4.684 6.357 -7.831 1.00 0.00 H new ATOM 0 HG1 THR B 65 -3.017 8.010 -7.917 1.00 0.00 H new ATOM 0 HG21 THR B 65 -5.267 8.736 -7.547 1.00 0.00 H new ATOM 0 HG22 THR B 65 -6.302 7.682 -6.555 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.975 8.595 -5.797 1.00 0.00 H new ATOM 991 N PHE B 66 -6.451 5.517 -4.590 1.00 0.00 N ATOM 992 CA PHE B 66 -7.623 4.737 -4.264 1.00 0.00 C ATOM 993 C PHE B 66 -8.398 5.331 -3.109 1.00 0.00 C ATOM 994 O PHE B 66 -7.858 6.033 -2.251 1.00 0.00 O ATOM 995 CB PHE B 66 -7.221 3.289 -3.943 1.00 0.00 C ATOM 996 CG PHE B 66 -6.179 3.094 -2.878 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.359 4.113 -2.415 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.017 1.838 -2.368 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.397 3.862 -1.459 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.061 1.571 -1.414 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.245 2.586 -0.959 1.00 0.00 C ATOM 0 H PHE B 66 -6.256 6.281 -3.943 1.00 0.00 H new ATOM 0 HA PHE B 66 -8.277 4.748 -5.136 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -8.118 2.746 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.859 2.826 -4.861 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -5.475 5.113 -2.807 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -6.651 1.038 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -3.765 4.662 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -4.950 0.570 -1.023 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.490 2.382 -0.214 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.678 5.061 -3.144 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.591 5.422 -2.079 1.00 0.00 C ATOM 1013 C ASN B 67 -10.833 4.238 -1.159 1.00 0.00 C ATOM 1014 O ASN B 67 -10.726 3.085 -1.583 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.924 5.899 -2.655 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.925 7.371 -2.996 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -11.488 7.777 -4.071 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.440 8.180 -2.086 1.00 0.00 N ATOM 0 H ASN B 67 -10.126 4.577 -3.922 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.138 6.232 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -12.153 5.323 -3.552 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.718 5.697 -1.936 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.486 9.183 -2.263 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -12.791 7.801 -1.207 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.159 4.520 0.091 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.451 3.475 1.066 1.00 0.00 C ATOM 1027 C GLU B 68 -12.609 2.591 0.597 1.00 0.00 C ATOM 1028 O GLU B 68 -12.509 1.361 0.606 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.773 4.114 2.418 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.653 4.999 2.947 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.380 4.223 3.219 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.691 3.826 2.252 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -9.063 3.984 4.403 1.00 0.00 O1- ATOM 0 H GLU B 68 -11.229 5.469 0.459 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.573 2.838 1.170 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.682 4.708 2.324 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.979 3.328 3.144 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -10.446 5.789 2.225 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.982 5.485 3.865 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.689 3.232 0.158 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.875 2.531 -0.327 1.00 0.00 C ATOM 1042 C LYS B 69 -14.623 1.893 -1.694 1.00 0.00 C ATOM 1043 O LYS B 69 -15.375 1.028 -2.140 1.00 0.00 O ATOM 1044 CB LYS B 69 -16.049 3.502 -0.426 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.361 2.834 -0.809 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.515 3.822 -0.847 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.832 4.370 0.534 1.00 0.00 C ATOM 1048 NZ LYS B 69 -20.058 5.206 0.518 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.767 4.249 0.128 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.111 1.739 0.383 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -16.174 4.007 0.532 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.813 4.270 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.256 2.362 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.586 2.042 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.267 4.645 -1.517 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -19.399 3.333 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.962 3.544 1.233 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.991 4.963 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -20.246 5.564 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -19.923 6.007 -0.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -20.865 4.633 0.198 1.00 0.00 H new ATOM 1062 N SER B 70 -13.571 2.333 -2.364 1.00 0.00 N ATOM 1063 CA SER B 70 -13.163 1.720 -3.618 1.00 0.00 C ATOM 1064 C SER B 70 -12.548 0.346 -3.336 1.00 0.00 C ATOM 1065 O SER B 70 -12.409 -0.472 -4.243 1.00 0.00 O ATOM 1066 CB SER B 70 -12.187 2.645 -4.358 1.00 0.00 C ATOM 1067 OG SER B 70 -11.421 1.946 -5.322 1.00 0.00 O ATOM 0 H SER B 70 -12.985 3.111 -2.062 1.00 0.00 H new ATOM 0 HA SER B 70 -14.029 1.575 -4.264 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.745 3.443 -4.848 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.519 3.118 -3.638 1.00 0.00 H new ATOM 0 HG SER B 70 -10.814 2.570 -5.772 1.00 0.00 H new ATOM 1073 N THR B 71 -12.214 0.111 -2.063 1.00 0.00 N ATOM 1074 CA THR B 71 -11.828 -1.192 -1.534 1.00 0.00 C ATOM 1075 C THR B 71 -10.645 -1.830 -2.268 1.00 0.00 C ATOM 1076 O THR B 71 -10.747 -2.258 -3.421 1.00 0.00 O ATOM 1077 CB THR B 71 -13.028 -2.151 -1.506 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.369 -2.581 -2.829 1.00 0.00 O ATOM 1079 CG2 THR B 71 -14.235 -1.477 -0.874 1.00 0.00 C ATOM 0 H THR B 71 -12.206 0.846 -1.356 1.00 0.00 H new ATOM 0 HA THR B 71 -11.490 -1.010 -0.514 1.00 0.00 H new ATOM 0 HB THR B 71 -12.744 -3.019 -0.911 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.601 -2.449 -3.424 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.075 -2.171 -0.863 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.994 -1.183 0.147 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.503 -0.593 -1.453 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.535 -1.946 -1.549 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.265 -2.362 -2.132 1.00 0.00 C ATOM 1089 C VAL B 72 -8.306 -3.774 -2.718 1.00 0.00 C ATOM 1090 O VAL B 72 -7.418 -4.141 -3.469 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.121 -2.283 -1.100 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -7.125 -0.935 -0.405 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.220 -3.409 -0.085 1.00 0.00 C ATOM 0 H VAL B 72 -9.490 -1.755 -0.548 1.00 0.00 H new ATOM 0 HA VAL B 72 -8.079 -1.664 -2.948 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.177 -2.395 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.312 -0.897 0.320 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.991 -0.145 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -8.076 -0.794 0.109 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.401 -3.328 0.630 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.171 -3.340 0.444 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.159 -4.368 -0.599 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.329 -4.557 -2.389 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.413 -5.917 -2.902 1.00 0.00 C ATOM 1105 C GLY B 73 -9.332 -5.970 -4.418 1.00 0.00 C ATOM 1106 O GLY B 73 -8.540 -6.726 -4.987 1.00 0.00 O ATOM 0 H GLY B 73 -10.098 -4.278 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.606 -6.513 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.350 -6.369 -2.575 1.00 0.00 H new ATOM 1110 N ASN B 74 -10.127 -5.139 -5.073 1.00 0.00 N ATOM 1111 CA ASN B 74 -10.164 -5.108 -6.530 1.00 0.00 C ATOM 1112 C ASN B 74 -9.044 -4.229 -7.076 1.00 0.00 C ATOM 1113 O ASN B 74 -8.435 -4.528 -8.109 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.523 -4.591 -7.014 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.670 -5.435 -6.533 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.552 -6.649 -6.367 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.790 -4.788 -6.291 1.00 0.00 N ATOM 0 H ASN B 74 -10.756 -4.476 -4.620 1.00 0.00 H new ATOM 0 HA ASN B 74 -10.020 -6.123 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.661 -3.567 -6.668 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.529 -4.564 -8.104 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.608 -5.294 -5.951 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.840 -3.781 -6.444 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.760 -3.152 -6.362 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.733 -2.208 -6.784 1.00 0.00 C ATOM 1126 C ILE B 75 -6.369 -2.876 -6.768 1.00 0.00 C ATOM 1127 O ILE B 75 -5.602 -2.791 -7.724 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.650 -0.978 -5.864 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -9.020 -0.595 -5.312 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -7.044 0.190 -6.626 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.953 0.531 -4.325 1.00 0.00 C ATOM 0 H ILE B 75 -9.225 -2.908 -5.488 1.00 0.00 H new ATOM 0 HA ILE B 75 -8.009 -1.886 -7.788 1.00 0.00 H new ATOM 0 HB ILE B 75 -7.014 -1.230 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.673 -0.311 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.471 -1.465 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.986 1.060 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -6.043 -0.077 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.668 0.425 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.956 0.760 -3.966 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.324 0.240 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.530 1.412 -4.807 1.00 0.00 H new ATOM 1143 N SER B 76 -6.083 -3.546 -5.664 1.00 0.00 N ATOM 1144 CA SER B 76 -4.794 -4.193 -5.467 1.00 0.00 C ATOM 1145 C SER B 76 -4.605 -5.349 -6.440 1.00 0.00 C ATOM 1146 O SER B 76 -3.477 -5.764 -6.699 1.00 0.00 O ATOM 1147 CB SER B 76 -4.634 -4.682 -4.028 1.00 0.00 C ATOM 1148 OG SER B 76 -3.304 -5.097 -3.777 1.00 0.00 O ATOM 0 H SER B 76 -6.731 -3.657 -4.884 1.00 0.00 H new ATOM 0 HA SER B 76 -4.023 -3.448 -5.663 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.906 -3.884 -3.337 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.318 -5.510 -3.844 1.00 0.00 H new ATOM 0 HG SER B 76 -2.923 -4.556 -3.054 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.706 -5.872 -6.977 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.625 -6.855 -8.046 1.00 0.00 C ATOM 1156 C ASN B 77 -4.748 -6.313 -9.164 1.00 0.00 C ATOM 1157 O ASN B 77 -3.923 -7.031 -9.730 1.00 0.00 O ATOM 1158 CB ASN B 77 -7.013 -7.177 -8.582 1.00 0.00 C ATOM 1159 CG ASN B 77 -7.400 -8.626 -8.361 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -6.963 -9.261 -7.401 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -8.226 -9.158 -9.246 1.00 0.00 N ATOM 0 H ASN B 77 -6.655 -5.632 -6.690 1.00 0.00 H new ATOM 0 HA ASN B 77 -5.188 -7.773 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.745 -6.531 -8.097 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.048 -6.954 -9.648 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -8.524 -10.129 -9.147 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.566 -8.598 -10.028 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.927 -5.029 -9.458 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.044 -4.328 -10.389 1.00 0.00 C ATOM 1170 C ASP B 78 -2.678 -4.076 -9.755 1.00 0.00 C ATOM 1171 O ASP B 78 -1.660 -4.431 -10.323 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.640 -2.992 -10.840 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.684 -3.138 -11.926 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.306 -3.212 -13.117 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -6.890 -3.149 -11.600 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.672 -4.453 -9.067 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.930 -4.971 -11.262 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.087 -2.493 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -3.838 -2.348 -11.201 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.677 -3.470 -8.570 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.443 -3.107 -7.860 1.00 0.00 C ATOM 1182 C ILE B 79 -0.423 -4.247 -7.811 1.00 0.00 C ATOM 1183 O ILE B 79 0.779 -4.024 -7.936 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.763 -2.648 -6.443 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.723 -1.480 -6.538 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.501 -2.252 -5.686 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.188 -0.293 -7.318 1.00 0.00 C ATOM 0 H ILE B 79 -3.529 -3.215 -8.071 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.991 -2.292 -8.425 1.00 0.00 H new ATOM 0 HB ILE B 79 -2.217 -3.467 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.646 -1.821 -7.006 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.979 -1.152 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.767 -1.930 -4.679 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.172 -3.108 -5.628 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -0.004 -1.435 -6.209 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.938 0.498 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.282 0.078 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.960 -0.601 -8.338 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.915 -5.467 -7.641 1.00 0.00 N ATOM 1200 CA ASN B 80 -0.054 -6.650 -7.579 1.00 0.00 C ATOM 1201 C ASN B 80 0.776 -6.830 -8.852 1.00 0.00 C ATOM 1202 O ASN B 80 1.896 -7.340 -8.800 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.883 -7.911 -7.319 1.00 0.00 C ATOM 1204 CG ASN B 80 -1.065 -8.203 -5.840 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -0.273 -8.928 -5.238 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -2.104 -7.641 -5.241 1.00 0.00 N ATOM 0 H ASN B 80 -1.910 -5.668 -7.543 1.00 0.00 H new ATOM 0 HA ASN B 80 0.636 -6.493 -6.750 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.862 -7.799 -7.785 1.00 0.00 H new ATOM 0 HB3 ASN B 80 -0.398 -8.763 -7.796 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -2.269 -7.803 -4.248 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.739 -7.046 -5.773 1.00 0.00 H new ATOM 1213 N LYS B 81 0.247 -6.394 -9.992 1.00 0.00 N ATOM 1214 CA LYS B 81 0.952 -6.551 -11.263 1.00 0.00 C ATOM 1215 C LYS B 81 2.113 -5.564 -11.343 1.00 0.00 C ATOM 1216 O LYS B 81 3.077 -5.779 -12.075 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.009 -6.358 -12.449 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.305 -4.911 -12.776 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.475 -4.773 -13.735 1.00 0.00 C ATOM 1220 CE LYS B 81 -1.837 -3.311 -13.948 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.101 -3.154 -14.714 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.660 -5.933 -10.063 1.00 0.00 H new ATOM 0 HA LYS B 81 1.351 -7.564 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.417 -6.838 -13.330 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.947 -6.869 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.524 -4.369 -11.856 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.580 -4.450 -13.215 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.222 -5.232 -14.691 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.337 -5.311 -13.342 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -1.936 -2.818 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.027 -2.811 -14.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -3.003 -2.368 -15.388 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.304 -4.032 -15.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -3.882 -2.952 -14.058 1.00 0.00 H new ATOM 1235 N LEU B 82 2.032 -4.507 -10.540 1.00 0.00 N ATOM 1236 CA LEU B 82 3.060 -3.470 -10.512 1.00 0.00 C ATOM 1237 C LEU B 82 4.339 -4.029 -9.920 1.00 0.00 C ATOM 1238 O LEU B 82 5.417 -3.478 -10.134 1.00 0.00 O ATOM 1239 CB LEU B 82 2.604 -2.282 -9.654 1.00 0.00 C ATOM 1240 CG LEU B 82 1.681 -1.256 -10.323 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.419 -0.506 -11.420 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.429 -1.909 -10.886 1.00 0.00 C ATOM 0 H LEU B 82 1.259 -4.345 -9.895 1.00 0.00 H new ATOM 0 HA LEU B 82 3.233 -3.135 -11.535 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.093 -2.675 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.492 -1.759 -9.300 1.00 0.00 H new ATOM 0 HG LEU B 82 1.372 -0.547 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.747 0.217 -11.882 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.275 0.016 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.766 -1.213 -12.174 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.199 -1.150 -11.352 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.710 -2.654 -11.631 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.123 -2.392 -10.080 1.00 0.00 H new ATOM 1254 N ASN B 83 4.199 -5.146 -9.212 1.00 0.00 N ATOM 1255 CA ASN B 83 5.285 -5.730 -8.430 1.00 0.00 C ATOM 1256 C ASN B 83 6.088 -4.628 -7.735 1.00 0.00 C ATOM 1257 O ASN B 83 7.227 -4.336 -8.113 1.00 0.00 O ATOM 1258 CB ASN B 83 6.187 -6.589 -9.314 1.00 0.00 C ATOM 1259 CG ASN B 83 7.161 -7.437 -8.514 1.00 0.00 C ATOM 1260 OD1 ASN B 83 6.875 -7.844 -7.387 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.315 -7.719 -9.098 1.00 0.00 N ATOM 0 H ASN B 83 3.327 -5.673 -9.164 1.00 0.00 H new ATOM 0 HA ASN B 83 4.855 -6.376 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN B 83 5.569 -7.240 -9.932 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.746 -5.943 -9.991 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.005 -8.293 -8.613 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.514 -7.363 -10.033 1.00 0.00 H new ATOM 1268 N ILE B 84 5.445 -3.994 -6.760 1.00 0.00 N ATOM 1269 CA ILE B 84 5.989 -2.841 -6.053 1.00 0.00 C ATOM 1270 C ILE B 84 7.403 -3.080 -5.545 1.00 0.00 C ATOM 1271 O ILE B 84 7.757 -4.177 -5.126 1.00 0.00 O ATOM 1272 CB ILE B 84 5.079 -2.458 -4.870 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.654 -2.350 -5.372 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.519 -1.148 -4.229 1.00 0.00 C ATOM 1275 CD1 ILE B 84 2.825 -3.601 -5.150 1.00 0.00 C ATOM 0 H ILE B 84 4.519 -4.271 -6.435 1.00 0.00 H new ATOM 0 HA ILE B 84 6.029 -2.024 -6.773 1.00 0.00 H new ATOM 0 HB ILE B 84 5.148 -3.230 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.167 -1.511 -4.875 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.671 -2.122 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE B 84 4.855 -0.908 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.540 -1.248 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.477 -0.349 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE B 84 1.818 -3.444 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.286 -4.440 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE B 84 2.774 -3.819 -4.083 1.00 0.00 H new ATOM 1287 N LYS B 85 8.190 -2.026 -5.594 1.00 0.00 N ATOM 1288 CA LYS B 85 9.589 -2.075 -5.174 1.00 0.00 C ATOM 1289 C LYS B 85 9.747 -1.551 -3.747 1.00 0.00 C ATOM 1290 O LYS B 85 8.768 -1.166 -3.108 1.00 0.00 O ATOM 1291 CB LYS B 85 10.453 -1.247 -6.124 1.00 0.00 C ATOM 1292 CG LYS B 85 10.276 -1.619 -7.582 1.00 0.00 C ATOM 1293 CD LYS B 85 11.186 -0.801 -8.483 1.00 0.00 C ATOM 1294 CE LYS B 85 10.853 -1.011 -9.952 1.00 0.00 C ATOM 1295 NZ LYS B 85 10.902 -2.444 -10.343 1.00 0.00 N1+ ATOM 0 H LYS B 85 7.886 -1.110 -5.924 1.00 0.00 H new ATOM 0 HA LYS B 85 9.915 -3.115 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.212 -0.192 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.501 -1.371 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.489 -2.680 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.238 -1.463 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.090 0.256 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.224 -1.078 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS B 85 9.858 -0.615 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS B 85 11.554 -0.445 -10.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 10.854 -2.523 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 11.790 -2.866 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 10.096 -2.947 -9.920 1.00 0.00 H new ATOM 1309 N GLY B 86 10.986 -1.510 -3.261 1.00 0.00 N ATOM 1310 CA GLY B 86 11.225 -1.080 -1.897 1.00 0.00 C ATOM 1311 C GLY B 86 12.411 -0.138 -1.762 1.00 0.00 C ATOM 1312 O GLY B 86 13.548 -0.536 -2.008 1.00 0.00 O ATOM 0 H GLY B 86 11.823 -1.766 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.331 -0.584 -1.518 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.393 -1.957 -1.271 1.00 0.00 H new ATOM 1316 N MET B 87 12.140 1.119 -1.389 1.00 0.00 N ATOM 1317 CA MET B 87 13.189 2.079 -1.050 1.00 0.00 C ATOM 1318 C MET B 87 12.589 3.351 -0.431 1.00 0.00 C ATOM 1319 O MET B 87 12.906 3.681 0.708 1.00 0.00 O ATOM 1320 CB MET B 87 14.084 2.414 -2.262 1.00 0.00 C ATOM 1321 CG MET B 87 13.412 3.196 -3.382 1.00 0.00 C ATOM 1322 SD MET B 87 12.005 2.341 -4.115 1.00 0.00 S ATOM 1323 CE MET B 87 12.850 0.998 -4.944 1.00 0.00 C ATOM 0 H MET B 87 11.194 1.494 -1.315 1.00 0.00 H new ATOM 0 HA MET B 87 13.830 1.608 -0.305 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.943 2.985 -1.909 1.00 0.00 H new ATOM 0 HB3 MET B 87 14.469 1.482 -2.675 1.00 0.00 H new ATOM 0 HG2 MET B 87 13.079 4.158 -2.993 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.146 3.403 -4.160 1.00 0.00 H new ATOM 0 HE1 MET B 87 12.389 0.823 -5.916 1.00 0.00 H new ATOM 0 HE2 MET B 87 13.899 1.259 -5.082 1.00 0.00 H new ATOM 0 HE3 MET B 87 12.777 0.094 -4.339 1.00 0.00 H new ATOM 1333 N TYR B 88 11.703 4.053 -1.151 1.00 0.00 N ATOM 1334 CA TYR B 88 11.113 5.272 -0.628 1.00 0.00 C ATOM 1335 C TYR B 88 9.600 5.223 -0.786 1.00 0.00 C ATOM 1336 O TYR B 88 9.043 5.753 -1.749 1.00 0.00 O ATOM 1337 CB TYR B 88 11.679 6.496 -1.349 1.00 0.00 C ATOM 1338 CG TYR B 88 11.532 7.783 -0.564 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.366 8.535 -0.630 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.560 8.240 0.249 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.230 9.705 0.091 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.429 9.408 0.975 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.263 10.137 0.892 1.00 0.00 C ATOM 1344 OH TYR B 88 11.132 11.303 1.616 1.00 0.00 O ATOM 0 H TYR B 88 11.388 3.794 -2.086 1.00 0.00 H new ATOM 0 HA TYR B 88 11.359 5.353 0.431 1.00 0.00 H new ATOM 0 HB2 TYR B 88 12.735 6.327 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.176 6.606 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.552 8.199 -1.256 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.477 7.673 0.315 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.317 10.279 0.027 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.237 9.748 1.605 1.00 0.00 H new ATOM 0 HH TYR B 88 11.951 11.463 2.129 1.00 0.00 H new ATOM 1354 N ILE B 89 8.952 4.541 0.138 1.00 0.00 N ATOM 1355 CA ILE B 89 7.509 4.437 0.148 1.00 0.00 C ATOM 1356 C ILE B 89 6.905 5.420 1.140 1.00 0.00 C ATOM 1357 O ILE B 89 7.209 5.381 2.333 1.00 0.00 O ATOM 1358 CB ILE B 89 7.048 2.996 0.483 1.00 0.00 C ATOM 1359 CG1 ILE B 89 7.303 2.059 -0.701 1.00 0.00 C ATOM 1360 CG2 ILE B 89 5.574 2.968 0.864 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.761 1.761 -0.968 1.00 0.00 C ATOM 0 H ILE B 89 9.412 4.045 0.901 1.00 0.00 H new ATOM 0 HA ILE B 89 7.157 4.684 -0.854 1.00 0.00 H new ATOM 0 HB ILE B 89 7.630 2.650 1.337 1.00 0.00 H new ATOM 0 HG12 ILE B 89 6.781 1.119 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE B 89 6.866 2.501 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.277 1.945 1.094 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.412 3.598 1.739 1.00 0.00 H new ATOM 0 HG23 ILE B 89 4.976 3.341 0.032 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.845 1.090 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE B 89 9.289 2.690 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE B 89 9.202 1.287 -0.091 1.00 0.00 H new ATOM 1373 N GLU B 90 6.066 6.312 0.646 1.00 0.00 N ATOM 1374 CA GLU B 90 5.383 7.252 1.514 1.00 0.00 C ATOM 1375 C GLU B 90 3.926 6.872 1.662 1.00 0.00 C ATOM 1376 O GLU B 90 3.433 5.953 1.006 1.00 0.00 O ATOM 1377 CB GLU B 90 5.475 8.683 0.990 1.00 0.00 C ATOM 1378 CG GLU B 90 6.896 9.182 0.820 1.00 0.00 C ATOM 1379 CD GLU B 90 7.551 9.468 2.150 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.992 8.519 2.820 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.613 10.650 2.543 1.00 0.00 O1- ATOM 0 H GLU B 90 5.842 6.405 -0.345 1.00 0.00 H new ATOM 0 HA GLU B 90 5.879 7.208 2.484 1.00 0.00 H new ATOM 0 HB2 GLU B 90 4.962 8.742 0.030 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.947 9.346 1.675 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.481 8.438 0.279 1.00 0.00 H new ATOM 0 HG3 GLU B 90 6.893 10.088 0.214 1.00 0.00 H new ATOM 1388 N ILE B 91 3.250 7.633 2.494 1.00 0.00 N ATOM 1389 CA ILE B 91 1.869 7.374 2.875 1.00 0.00 C ATOM 1390 C ILE B 91 1.206 8.699 3.225 1.00 0.00 C ATOM 1391 O ILE B 91 1.618 9.359 4.181 1.00 0.00 O ATOM 1392 CB ILE B 91 1.773 6.469 4.130 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.363 5.074 3.883 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.332 6.360 4.613 1.00 0.00 C ATOM 1395 CD1 ILE B 91 1.563 4.225 2.919 1.00 0.00 C ATOM 0 H ILE B 91 3.646 8.463 2.935 1.00 0.00 H new ATOM 0 HA ILE B 91 1.383 6.874 2.037 1.00 0.00 H new ATOM 0 HB ILE B 91 2.369 6.943 4.910 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.377 5.183 3.498 1.00 0.00 H new ATOM 0 HG13 ILE B 91 2.438 4.550 4.836 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.291 5.720 5.494 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.043 7.352 4.867 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.285 5.930 3.824 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.047 3.256 2.800 1.00 0.00 H new ATOM 0 HD12 ILE B 91 0.556 4.082 3.310 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.509 4.725 1.952 1.00 0.00 H new ATOM 1407 N LYS B 92 0.200 9.095 2.468 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.477 10.359 2.732 1.00 0.00 C ATOM 1409 C LYS B 92 -1.770 10.486 1.944 1.00 0.00 C ATOM 1410 O LYS B 92 -1.968 9.811 0.936 1.00 0.00 O ATOM 1411 CB LYS B 92 0.432 11.533 2.374 1.00 0.00 C ATOM 1412 CG LYS B 92 0.931 11.494 0.939 1.00 0.00 C ATOM 1413 CD LYS B 92 1.409 12.868 0.490 1.00 0.00 C ATOM 1414 CE LYS B 92 2.091 12.820 -0.866 1.00 0.00 C ATOM 1415 NZ LYS B 92 2.698 14.129 -1.226 1.00 0.00 N1+ ATOM 0 H LYS B 92 -0.166 8.570 1.674 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.715 10.376 3.796 1.00 0.00 H new ATOM 0 HB2 LYS B 92 -0.109 12.465 2.538 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.288 11.539 3.049 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.746 10.775 0.853 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.132 11.150 0.282 1.00 0.00 H new ATOM 0 HD2 LYS B 92 0.560 13.550 0.444 1.00 0.00 H new ATOM 0 HD3 LYS B 92 2.101 13.270 1.230 1.00 0.00 H new ATOM 0 HE2 LYS B 92 2.864 12.051 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS B 92 1.366 12.534 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 3.154 14.056 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 1.957 14.858 -1.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 3.408 14.390 -0.513 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.639 11.365 2.420 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.844 11.728 1.705 1.00 0.00 C ATOM 1431 C GLN B 93 -3.509 12.797 0.683 1.00 0.00 C ATOM 1432 O GLN B 93 -2.566 13.569 0.861 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.945 12.213 2.662 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.614 13.479 3.452 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.640 13.245 4.593 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -4.041 12.900 5.701 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -2.358 13.460 4.341 1.00 0.00 N ATOM 0 H GLN B 93 -2.525 11.844 3.313 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.231 10.845 1.197 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.852 12.392 2.085 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.169 11.413 3.367 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.194 14.222 2.773 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.537 13.899 3.853 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.063 13.746 3.407 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -1.666 13.340 5.080 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.279 12.834 -0.378 1.00 0.00 N ATOM 1447 CA ILE B 94 -3.980 13.681 -1.512 1.00 0.00 C ATOM 1448 C ILE B 94 -4.970 14.836 -1.613 1.00 0.00 C ATOM 1449 O ILE B 94 -4.891 15.754 -0.770 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.986 12.834 -2.799 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.124 11.813 -2.733 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.652 12.126 -2.957 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.249 10.942 -3.965 1.00 0.00 C ATOM 1454 OXT ILE B 94 -5.821 14.833 -2.525 1.00 0.00 O ATOM 0 H ILE B 94 -5.129 12.280 -0.481 1.00 0.00 H new ATOM 0 HA ILE B 94 -2.990 14.116 -1.376 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.140 13.483 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.973 11.173 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.064 12.343 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.663 11.529 -3.869 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.853 12.865 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.482 11.475 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -6.079 10.247 -3.836 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.433 11.569 -4.837 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.325 10.382 -4.110 1.00 0.00 H new TER 1466 ILE B 94