USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 822 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 55 THR OG1 : rot 117:sc= 0.151 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.15 USER MOD Set 2.1: B 7 THR OG1 : rot 115:sc= 1.18 USER MOD Set 2.2: B 9 THR OG1 : rot 180:sc= 0.864 USER MOD Single : A 255 TYR OH : rot 180:sc= 0 USER MOD Single : A 265 LYS NZ :NH3+ 145:sc= -2.97! (180deg=-5.77!) USER MOD Single : A 270 SER OG : rot 78:sc= 0.766 USER MOD Single : A 272 LYS NZ :NH3+ -166:sc= -0.0196 (180deg=-0.254) USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 276 ASN :FLIP amide:sc= -0.142 F(o=-2.2!,f=-0.14) USER MOD Single : A 277 SER OG : rot -56:sc= 0.73 USER MOD Single : B 1 MET CE :methyl 168:sc= -0.416 (180deg=-0.716) USER MOD Single : B 1 MET N :NH3+ 174:sc= 0.712 (180deg=0.681) USER MOD Single : B 2 GLN :FLIP amide:sc= -1.08 F(o=-4.2!,f=-1.1) USER MOD Single : B 6 LYS NZ :NH3+ 165:sc= -0.0637 (180deg=-0.31) USER MOD Single : B 11 LYS NZ :NH3+ 135:sc= -0.252 (180deg=-0.634) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -25:sc= 1.45 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -2.1! K(o=-2.1!,f=-2.9) USER MOD Single : B 27 LYS NZ :NH3+ 160:sc= -5.64! (180deg=-6.95!) USER MOD Single : B 28 SER OG : rot -46:sc= 1.2 USER MOD Single : B 29 LYS NZ :NH3+ 166:sc=-0.00312 (180deg=-0.244) USER MOD Single : B 31 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.6!) USER MOD Single : B 33 LYS NZ :NH3+ -136:sc= 0.227 (180deg=-1.85!) USER MOD Single : B 40 GLN :FLIP amide:sc= -1.07 F(o=-2.5!,f=-1.1) USER MOD Single : B 41 GLN : amide:sc= -0.708 K(o=-0.71,f=-3.3!) USER MOD Single : B 48 LYS NZ :NH3+ 168:sc= -0.015 (180deg=-0.19) USER MOD Single : B 49 GLN :FLIP amide:sc= -4.75! C(o=-6.7!,f=-4.8!) USER MOD Single : B 59 TYR OH : rot -110:sc= -0.0885 USER MOD Single : B 60 ASN :FLIP amide:sc= -0.594 F(o=-2.5!,f=-0.59) USER MOD Single : B 62 GLN : amide:sc= -2.75! C(o=-2.7!,f=-7.9!) USER MOD Single : B 63 LYS NZ :NH3+ 169:sc= -0.0257 (180deg=-0.214) USER MOD Single : B 65 SER OG : rot 158:sc= 0.181 USER MOD Single : B 66 THR OG1 : rot 44:sc= 0.412 USER MOD Single : B 68 HIS : no HD1:sc= -0.894 X(o=-0.89,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 255 26.145 1.681 -2.709 1.00 0.00 N ATOM 2 CA TYR A 255 25.205 1.145 -1.690 1.00 0.00 C ATOM 3 C TYR A 255 23.781 1.065 -2.235 1.00 0.00 C ATOM 4 O TYR A 255 23.340 1.947 -2.973 1.00 0.00 O ATOM 5 CB TYR A 255 25.252 2.042 -0.450 1.00 0.00 C ATOM 6 CG TYR A 255 26.534 1.919 0.347 1.00 0.00 C ATOM 7 CD1 TYR A 255 27.775 2.124 -0.247 1.00 0.00 C ATOM 8 CD2 TYR A 255 26.500 1.597 1.698 1.00 0.00 C ATOM 9 CE1 TYR A 255 28.943 2.009 0.483 1.00 0.00 C ATOM 10 CE2 TYR A 255 27.664 1.481 2.434 1.00 0.00 C ATOM 11 CZ TYR A 255 28.881 1.688 1.823 1.00 0.00 C ATOM 12 OH TYR A 255 30.042 1.572 2.553 1.00 0.00 O ATOM 0 HA TYR A 255 25.510 0.132 -1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 255 25.126 3.080 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 255 24.409 1.797 0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 255 27.827 2.377 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 255 25.548 1.435 2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 255 29.899 2.170 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 255 27.620 1.229 3.483 1.00 0.00 H new ATOM 0 HH TYR A 255 29.824 1.342 3.480 1.00 0.00 H new ATOM 24 N PRO A 256 23.042 -0.002 -1.879 1.00 0.00 N ATOM 25 CA PRO A 256 21.661 -0.199 -2.338 1.00 0.00 C ATOM 26 C PRO A 256 20.709 0.865 -1.801 1.00 0.00 C ATOM 27 O PRO A 256 20.771 1.232 -0.627 1.00 0.00 O ATOM 28 CB PRO A 256 21.287 -1.576 -1.780 1.00 0.00 C ATOM 29 CG PRO A 256 22.208 -1.784 -0.628 1.00 0.00 C ATOM 30 CD PRO A 256 23.491 -1.099 -1.002 1.00 0.00 C ATOM 0 HA PRO A 256 21.585 -0.128 -3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 256 20.245 -1.604 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 256 21.413 -2.355 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 256 21.792 -1.362 0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 256 22.371 -2.846 -0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 256 24.018 -0.724 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 256 24.173 -1.775 -1.519 1.00 0.00 H new ATOM 38 N GLU A 257 19.827 1.353 -2.667 1.00 0.00 N ATOM 39 CA GLU A 257 18.857 2.372 -2.281 1.00 0.00 C ATOM 40 C GLU A 257 17.943 1.859 -1.171 1.00 0.00 C ATOM 41 O GLU A 257 17.401 0.758 -1.260 1.00 0.00 O ATOM 42 CB GLU A 257 18.019 2.791 -3.490 1.00 0.00 C ATOM 43 CG GLU A 257 18.833 3.410 -4.615 1.00 0.00 C ATOM 44 CD GLU A 257 19.568 4.663 -4.181 1.00 0.00 C ATOM 45 OE1 GLU A 257 18.898 5.627 -3.755 1.00 0.00 O ATOM 46 OE2 GLU A 257 20.814 4.680 -4.266 1.00 0.00 O ATOM 0 H GLU A 257 19.764 1.059 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 257 19.405 3.237 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 257 17.490 1.919 -3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 257 17.262 3.505 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 257 19.554 2.679 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 257 18.172 3.651 -5.447 1.00 0.00 H new ATOM 53 N ASP A 258 17.778 2.666 -0.127 1.00 0.00 N ATOM 54 CA ASP A 258 16.929 2.294 0.999 1.00 0.00 C ATOM 55 C ASP A 258 15.464 2.203 0.575 1.00 0.00 C ATOM 56 O ASP A 258 14.735 1.320 1.028 1.00 0.00 O ATOM 57 CB ASP A 258 17.103 3.286 2.154 1.00 0.00 C ATOM 58 CG ASP A 258 16.828 4.721 1.750 1.00 0.00 C ATOM 59 OD1 ASP A 258 17.435 5.189 0.764 1.00 0.00 O ATOM 60 OD2 ASP A 258 16.020 5.383 2.433 1.00 0.00 O ATOM 0 H ASP A 258 18.221 3.581 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 258 17.237 1.307 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 258 16.433 3.009 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 258 18.120 3.212 2.539 1.00 0.00 H new ATOM 65 N GLU A 259 15.041 3.109 -0.305 1.00 0.00 N ATOM 66 CA GLU A 259 13.664 3.113 -0.797 1.00 0.00 C ATOM 67 C GLU A 259 13.338 1.811 -1.523 1.00 0.00 C ATOM 68 O GLU A 259 12.317 1.177 -1.252 1.00 0.00 O ATOM 69 CB GLU A 259 13.434 4.300 -1.736 1.00 0.00 C ATOM 70 CG GLU A 259 13.015 5.583 -1.030 1.00 0.00 C ATOM 71 CD GLU A 259 13.921 5.948 0.129 1.00 0.00 C ATOM 72 OE1 GLU A 259 13.885 5.240 1.156 1.00 0.00 O ATOM 73 OE2 GLU A 259 14.670 6.941 0.008 1.00 0.00 O ATOM 0 H GLU A 259 15.629 3.847 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 259 13.003 3.205 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 259 14.350 4.489 -2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 259 12.667 4.031 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 259 13.009 6.401 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 259 11.994 5.472 -0.664 1.00 0.00 H new ATOM 80 N GLU A 260 14.211 1.418 -2.445 1.00 0.00 N ATOM 81 CA GLU A 260 14.016 0.192 -3.210 1.00 0.00 C ATOM 82 C GLU A 260 13.994 -1.025 -2.293 1.00 0.00 C ATOM 83 O GLU A 260 13.205 -1.949 -2.491 1.00 0.00 O ATOM 84 CB GLU A 260 15.118 0.034 -4.260 1.00 0.00 C ATOM 85 CG GLU A 260 15.127 1.137 -5.306 1.00 0.00 C ATOM 86 CD GLU A 260 16.220 0.951 -6.342 1.00 0.00 C ATOM 87 OE1 GLU A 260 16.969 -0.044 -6.246 1.00 0.00 O ATOM 88 OE2 GLU A 260 16.326 1.801 -7.251 1.00 0.00 O ATOM 0 H GLU A 260 15.061 1.931 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 260 13.053 0.262 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 260 16.085 0.013 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 260 14.997 -0.927 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 260 14.159 1.166 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 260 15.260 2.100 -4.812 1.00 0.00 H new ATOM 95 N GLU A 261 14.868 -1.022 -1.291 1.00 0.00 N ATOM 96 CA GLU A 261 14.950 -2.129 -0.346 1.00 0.00 C ATOM 97 C GLU A 261 13.630 -2.311 0.397 1.00 0.00 C ATOM 98 O GLU A 261 13.102 -3.416 0.471 1.00 0.00 O ATOM 99 CB GLU A 261 16.082 -1.894 0.655 1.00 0.00 C ATOM 100 CG GLU A 261 16.274 -3.039 1.636 1.00 0.00 C ATOM 101 CD GLU A 261 16.626 -4.344 0.949 1.00 0.00 C ATOM 102 OE1 GLU A 261 17.669 -4.391 0.263 1.00 0.00 O ATOM 103 OE2 GLU A 261 15.859 -5.319 1.096 1.00 0.00 O ATOM 0 H GLU A 261 15.529 -0.266 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 261 15.158 -3.038 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 261 17.012 -1.735 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.879 -0.979 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 261 17.064 -2.780 2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 261 15.361 -3.173 2.216 1.00 0.00 H new ATOM 110 N LEU A 262 13.102 -1.221 0.944 1.00 0.00 N ATOM 111 CA LEU A 262 11.843 -1.268 1.680 1.00 0.00 C ATOM 112 C LEU A 262 10.712 -1.786 0.797 1.00 0.00 C ATOM 113 O LEU A 262 9.931 -2.645 1.212 1.00 0.00 O ATOM 114 CB LEU A 262 11.493 0.121 2.218 1.00 0.00 C ATOM 115 CG LEU A 262 12.498 0.703 3.216 1.00 0.00 C ATOM 116 CD1 LEU A 262 12.105 2.121 3.601 1.00 0.00 C ATOM 117 CD2 LEU A 262 12.595 -0.179 4.454 1.00 0.00 C ATOM 0 H LEU A 262 13.526 -0.295 0.892 1.00 0.00 H new ATOM 0 HA LEU A 262 11.966 -1.955 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.402 0.807 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.515 0.072 2.697 1.00 0.00 H new ATOM 0 HG LEU A 262 13.478 0.734 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 262 12.830 2.519 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 262 12.087 2.748 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 262 11.116 2.113 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 262 13.314 0.251 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 262 11.618 -0.242 4.933 1.00 0.00 H new ATOM 0 HD23 LEU A 262 12.923 -1.178 4.165 1.00 0.00 H new ATOM 129 N ILE A 263 10.633 -1.264 -0.422 1.00 0.00 N ATOM 130 CA ILE A 263 9.601 -1.678 -1.365 1.00 0.00 C ATOM 131 C ILE A 263 9.648 -3.186 -1.617 1.00 0.00 C ATOM 132 O ILE A 263 8.638 -3.876 -1.467 1.00 0.00 O ATOM 133 CB ILE A 263 9.736 -0.920 -2.706 1.00 0.00 C ATOM 134 CG1 ILE A 263 9.109 0.471 -2.601 1.00 0.00 C ATOM 135 CG2 ILE A 263 9.106 -1.709 -3.849 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.318 1.330 -3.830 1.00 0.00 C ATOM 0 H ILE A 263 11.271 -0.553 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 263 8.639 -1.431 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 263 10.798 -0.806 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 263 8.039 0.364 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.528 0.984 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 263 9.216 -1.152 -4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 263 9.604 -2.674 -3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 263 8.047 -1.866 -3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.845 2.301 -3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.386 1.469 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.874 0.840 -4.696 1.00 0.00 H new ATOM 148 N ARG A 264 10.818 -3.696 -2.001 1.00 0.00 N ATOM 149 CA ARG A 264 10.966 -5.124 -2.271 1.00 0.00 C ATOM 150 C ARG A 264 10.731 -5.950 -1.014 1.00 0.00 C ATOM 151 O ARG A 264 10.123 -7.017 -1.079 1.00 0.00 O ATOM 152 CB ARG A 264 12.337 -5.440 -2.864 1.00 0.00 C ATOM 153 CG ARG A 264 13.505 -5.082 -1.958 1.00 0.00 C ATOM 154 CD ARG A 264 14.836 -5.428 -2.607 1.00 0.00 C ATOM 155 NE ARG A 264 14.937 -6.851 -2.919 1.00 0.00 N ATOM 156 CZ ARG A 264 15.996 -7.406 -3.502 1.00 0.00 C ATOM 157 NH1 ARG A 264 17.041 -6.661 -3.836 1.00 0.00 N ATOM 158 NH2 ARG A 264 16.009 -8.707 -3.751 1.00 0.00 N ATOM 0 H ARG A 264 11.668 -3.148 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 264 10.207 -5.393 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 264 12.384 -6.504 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 264 12.445 -4.904 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 264 13.476 -4.017 -1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 264 13.410 -5.615 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 264 14.956 -4.847 -3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 264 15.650 -5.144 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 264 14.151 -7.454 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 264 17.034 -5.659 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 264 17.851 -7.090 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 264 15.207 -9.283 -3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 264 16.821 -9.133 -4.198 1.00 0.00 H new ATOM 172 N LYS A 265 11.191 -5.453 0.132 1.00 0.00 N ATOM 173 CA LYS A 265 10.987 -6.163 1.388 1.00 0.00 C ATOM 174 C LYS A 265 9.502 -6.430 1.559 1.00 0.00 C ATOM 175 O LYS A 265 9.090 -7.526 1.937 1.00 0.00 O ATOM 176 CB LYS A 265 11.520 -5.353 2.572 1.00 0.00 C ATOM 177 CG LYS A 265 13.038 -5.315 2.656 1.00 0.00 C ATOM 178 CD LYS A 265 13.638 -6.701 2.859 1.00 0.00 C ATOM 179 CE LYS A 265 13.281 -7.287 4.218 1.00 0.00 C ATOM 180 NZ LYS A 265 11.844 -7.666 4.312 1.00 0.00 N ATOM 0 H LYS A 265 11.701 -4.573 0.215 1.00 0.00 H new ATOM 0 HA LYS A 265 11.535 -7.105 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 265 11.144 -4.332 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 265 11.125 -5.775 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 265 13.440 -4.877 1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 265 13.339 -4.667 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 265 13.283 -7.368 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 265 14.722 -6.644 2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 265 13.899 -8.165 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 265 13.514 -6.561 4.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 11.748 -8.519 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 11.307 -6.887 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 11.472 -7.857 3.360 1.00 0.00 H new ATOM 194 N ALA A 266 8.706 -5.420 1.231 1.00 0.00 N ATOM 195 CA ALA A 266 7.261 -5.533 1.298 1.00 0.00 C ATOM 196 C ALA A 266 6.782 -6.530 0.251 1.00 0.00 C ATOM 197 O ALA A 266 5.829 -7.277 0.473 1.00 0.00 O ATOM 198 CB ALA A 266 6.614 -4.172 1.082 1.00 0.00 C ATOM 0 H ALA A 266 9.042 -4.510 0.915 1.00 0.00 H new ATOM 0 HA ALA A 266 6.972 -5.891 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 266 5.530 -4.272 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 266 6.953 -3.481 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 266 6.895 -3.787 0.102 1.00 0.00 H new ATOM 204 N ILE A 267 7.466 -6.535 -0.894 1.00 0.00 N ATOM 205 CA ILE A 267 7.132 -7.440 -1.987 1.00 0.00 C ATOM 206 C ILE A 267 7.245 -8.899 -1.549 1.00 0.00 C ATOM 207 O ILE A 267 6.334 -9.696 -1.771 1.00 0.00 O ATOM 208 CB ILE A 267 8.046 -7.211 -3.212 1.00 0.00 C ATOM 209 CG1 ILE A 267 7.895 -5.781 -3.738 1.00 0.00 C ATOM 210 CG2 ILE A 267 7.732 -8.219 -4.309 1.00 0.00 C ATOM 211 CD1 ILE A 267 6.495 -5.444 -4.208 1.00 0.00 C ATOM 0 H ILE A 267 8.256 -5.919 -1.086 1.00 0.00 H new ATOM 0 HA ILE A 267 6.101 -7.225 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 267 9.080 -7.354 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 267 8.181 -5.083 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 267 8.590 -5.633 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 267 8.385 -8.042 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 267 7.893 -9.229 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 267 6.693 -8.108 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 267 6.469 -4.415 -4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 267 6.211 -6.117 -5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 267 5.796 -5.558 -3.380 1.00 0.00 H new ATOM 223 N GLU A 268 8.373 -9.240 -0.931 1.00 0.00 N ATOM 224 CA GLU A 268 8.620 -10.602 -0.467 1.00 0.00 C ATOM 225 C GLU A 268 7.647 -11.002 0.640 1.00 0.00 C ATOM 226 O GLU A 268 7.080 -12.094 0.611 1.00 0.00 O ATOM 227 CB GLU A 268 10.059 -10.735 0.033 1.00 0.00 C ATOM 228 CG GLU A 268 11.107 -10.390 -1.015 1.00 0.00 C ATOM 229 CD GLU A 268 11.085 -11.332 -2.205 1.00 0.00 C ATOM 230 OE1 GLU A 268 10.054 -11.379 -2.910 1.00 0.00 O ATOM 231 OE2 GLU A 268 12.100 -12.022 -2.433 1.00 0.00 O ATOM 0 H GLU A 268 9.134 -8.588 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 268 8.465 -11.274 -1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 268 10.195 -10.085 0.897 1.00 0.00 H new ATOM 0 HB3 GLU A 268 10.222 -11.757 0.374 1.00 0.00 H new ATOM 0 HG2 GLU A 268 10.944 -9.370 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 268 12.095 -10.416 -0.556 1.00 0.00 H new ATOM 238 N LEU A 269 7.463 -10.116 1.615 1.00 0.00 N ATOM 239 CA LEU A 269 6.561 -10.384 2.732 1.00 0.00 C ATOM 240 C LEU A 269 5.160 -10.723 2.235 1.00 0.00 C ATOM 241 O LEU A 269 4.527 -11.660 2.722 1.00 0.00 O ATOM 242 CB LEU A 269 6.505 -9.176 3.672 1.00 0.00 C ATOM 243 CG LEU A 269 7.823 -8.834 4.370 1.00 0.00 C ATOM 244 CD1 LEU A 269 7.677 -7.560 5.190 1.00 0.00 C ATOM 245 CD2 LEU A 269 8.275 -9.987 5.255 1.00 0.00 C ATOM 0 H LEU A 269 7.925 -9.208 1.655 1.00 0.00 H new ATOM 0 HA LEU A 269 6.948 -11.244 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 269 6.178 -8.307 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 269 5.747 -9.362 4.433 1.00 0.00 H new ATOM 0 HG LEU A 269 8.583 -8.668 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 269 8.624 -7.332 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 269 7.400 -6.735 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 269 6.903 -7.700 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 269 9.214 -9.725 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 269 7.516 -10.184 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 269 8.420 -10.879 4.645 1.00 0.00 H new ATOM 257 N SER A 270 4.682 -9.954 1.263 1.00 0.00 N ATOM 258 CA SER A 270 3.356 -10.170 0.697 1.00 0.00 C ATOM 259 C SER A 270 3.285 -11.500 -0.050 1.00 0.00 C ATOM 260 O SER A 270 2.318 -12.249 0.088 1.00 0.00 O ATOM 261 CB SER A 270 2.990 -9.023 -0.245 1.00 0.00 C ATOM 262 OG SER A 270 2.999 -7.779 0.435 1.00 0.00 O ATOM 0 H SER A 270 5.194 -9.174 0.850 1.00 0.00 H new ATOM 0 HA SER A 270 2.641 -10.202 1.519 1.00 0.00 H new ATOM 0 HB2 SER A 270 3.695 -8.992 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 270 2.003 -9.200 -0.672 1.00 0.00 H new ATOM 0 HG SER A 270 3.924 -7.473 0.545 1.00 0.00 H new ATOM 268 N LEU A 271 4.313 -11.783 -0.846 1.00 0.00 N ATOM 269 CA LEU A 271 4.366 -13.020 -1.622 1.00 0.00 C ATOM 270 C LEU A 271 4.302 -14.250 -0.721 1.00 0.00 C ATOM 271 O LEU A 271 3.659 -15.241 -1.060 1.00 0.00 O ATOM 272 CB LEU A 271 5.636 -13.064 -2.474 1.00 0.00 C ATOM 273 CG LEU A 271 5.712 -12.014 -3.584 1.00 0.00 C ATOM 274 CD1 LEU A 271 7.046 -12.103 -4.309 1.00 0.00 C ATOM 275 CD2 LEU A 271 4.560 -12.189 -4.564 1.00 0.00 C ATOM 0 H LEU A 271 5.121 -11.173 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 271 3.494 -13.034 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 271 6.498 -12.940 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 271 5.718 -14.053 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 271 5.631 -11.026 -3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 271 7.084 -11.349 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 271 7.857 -11.930 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 271 7.155 -13.094 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 271 4.630 -11.434 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 271 4.611 -13.181 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 271 3.613 -12.077 -4.036 1.00 0.00 H new ATOM 287 N LYS A 272 4.979 -14.186 0.420 1.00 0.00 N ATOM 288 CA LYS A 272 4.999 -15.303 1.359 1.00 0.00 C ATOM 289 C LYS A 272 3.601 -15.607 1.895 1.00 0.00 C ATOM 290 O LYS A 272 3.221 -16.770 2.033 1.00 0.00 O ATOM 291 CB LYS A 272 5.953 -15.008 2.520 1.00 0.00 C ATOM 292 CG LYS A 272 7.404 -14.847 2.091 1.00 0.00 C ATOM 293 CD LYS A 272 7.952 -16.120 1.459 1.00 0.00 C ATOM 294 CE LYS A 272 7.976 -17.274 2.452 1.00 0.00 C ATOM 295 NZ LYS A 272 8.837 -16.973 3.629 1.00 0.00 N ATOM 0 H LYS A 272 5.521 -13.374 0.717 1.00 0.00 H new ATOM 0 HA LYS A 272 5.353 -16.182 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 272 5.629 -14.097 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 272 5.886 -15.816 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 272 7.484 -14.025 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 272 8.011 -14.580 2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 272 7.340 -16.392 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 272 8.961 -15.938 1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 272 6.961 -17.485 2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 272 8.341 -18.173 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 9.021 -17.849 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 9.739 -16.569 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 8.354 -16.290 4.247 1.00 0.00 H new ATOM 309 N GLU A 273 2.844 -14.558 2.204 1.00 0.00 N ATOM 310 CA GLU A 273 1.492 -14.718 2.734 1.00 0.00 C ATOM 311 C GLU A 273 0.574 -15.405 1.726 1.00 0.00 C ATOM 312 O GLU A 273 -0.085 -16.394 2.047 1.00 0.00 O ATOM 313 CB GLU A 273 0.911 -13.355 3.119 1.00 0.00 C ATOM 314 CG GLU A 273 1.678 -12.654 4.229 1.00 0.00 C ATOM 315 CD GLU A 273 1.576 -13.372 5.563 1.00 0.00 C ATOM 316 OE1 GLU A 273 0.867 -14.398 5.637 1.00 0.00 O ATOM 317 OE2 GLU A 273 2.202 -12.903 6.537 1.00 0.00 O ATOM 0 H GLU A 273 3.143 -13.589 2.097 1.00 0.00 H new ATOM 0 HA GLU A 273 1.556 -15.350 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 273 0.898 -12.714 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 273 -0.125 -13.487 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 273 2.727 -12.574 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 273 1.300 -11.638 4.339 1.00 0.00 H new ATOM 324 N SER A 274 0.530 -14.869 0.510 1.00 0.00 N ATOM 325 CA SER A 274 -0.315 -15.424 -0.543 1.00 0.00 C ATOM 326 C SER A 274 0.130 -16.832 -0.925 1.00 0.00 C ATOM 327 O SER A 274 -0.694 -17.734 -1.076 1.00 0.00 O ATOM 328 CB SER A 274 -0.286 -14.518 -1.775 1.00 0.00 C ATOM 329 OG SER A 274 -0.747 -13.215 -1.461 1.00 0.00 O ATOM 0 H SER A 274 1.070 -14.050 0.229 1.00 0.00 H new ATOM 0 HA SER A 274 -1.334 -15.481 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 274 0.730 -14.463 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 274 -0.907 -14.947 -2.561 1.00 0.00 H new ATOM 0 HG SER A 274 -0.717 -12.655 -2.265 1.00 0.00 H new ATOM 335 N ARG A 275 1.439 -17.008 -1.084 1.00 0.00 N ATOM 336 CA ARG A 275 2.008 -18.300 -1.454 1.00 0.00 C ATOM 337 C ARG A 275 1.413 -18.779 -2.784 1.00 0.00 C ATOM 338 O ARG A 275 1.335 -18.009 -3.742 1.00 0.00 O ATOM 339 CB ARG A 275 1.769 -19.327 -0.341 1.00 0.00 C ATOM 340 CG ARG A 275 2.657 -20.560 -0.441 1.00 0.00 C ATOM 341 CD ARG A 275 2.345 -21.563 0.658 1.00 0.00 C ATOM 342 NE ARG A 275 3.183 -22.758 0.568 1.00 0.00 N ATOM 343 CZ ARG A 275 4.508 -22.747 0.693 1.00 0.00 C ATOM 344 NH1 ARG A 275 5.149 -21.608 0.923 1.00 0.00 N ATOM 345 NH2 ARG A 275 5.193 -23.878 0.592 1.00 0.00 N ATOM 0 H ARG A 275 2.129 -16.267 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 275 3.085 -18.188 -1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 275 1.935 -18.848 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 275 0.725 -19.640 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 275 2.519 -21.031 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 275 3.703 -20.262 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 275 2.490 -21.092 1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 275 1.296 -21.852 0.597 1.00 0.00 H new ATOM 0 HE ARG A 275 2.725 -23.653 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 275 4.626 -20.736 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 275 6.165 -21.605 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 275 4.704 -24.756 0.418 1.00 0.00 H new ATOM 0 HH22 ARG A 275 6.208 -23.870 0.688 1.00 0.00 H new ATOM 359 N ASN A 276 0.994 -20.043 -2.846 1.00 0.00 N ATOM 360 CA ASN A 276 0.413 -20.593 -4.066 1.00 0.00 C ATOM 361 C ASN A 276 -0.971 -20.006 -4.325 1.00 0.00 C ATOM 362 O ASN A 276 -1.236 -19.473 -5.403 1.00 0.00 O ATOM 363 CB ASN A 276 0.323 -22.118 -3.970 1.00 0.00 C ATOM 364 CG ASN A 276 1.678 -22.785 -3.792 1.00 0.00 C ATOM 365 OD1 ASN A 276 2.746 -21.991 -3.784 1.00 0.00 O flip ATOM 366 ND2 ASN A 276 1.765 -24.006 -3.666 1.00 0.00 N flip ATOM 0 H ASN A 276 1.047 -20.701 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 276 1.062 -20.325 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 276 -0.320 -22.386 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 276 -0.151 -22.506 -4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 276 0.923 -24.581 -3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 276 2.679 -24.443 -3.550 1.00 0.00 H new ATOM 373 N SER A 277 -1.847 -20.107 -3.326 1.00 0.00 N ATOM 374 CA SER A 277 -3.208 -19.587 -3.436 1.00 0.00 C ATOM 375 C SER A 277 -3.983 -19.824 -2.141 1.00 0.00 C ATOM 376 O SER A 277 -5.138 -20.250 -2.166 1.00 0.00 O ATOM 377 CB SER A 277 -3.941 -20.245 -4.608 1.00 0.00 C ATOM 378 OG SER A 277 -5.241 -19.702 -4.769 1.00 0.00 O ATOM 0 H SER A 277 -1.637 -20.546 -2.429 1.00 0.00 H new ATOM 0 HA SER A 277 -3.146 -18.514 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 277 -3.368 -20.103 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 277 -4.011 -21.320 -4.439 1.00 0.00 H new ATOM 0 HG SER A 277 -5.740 -19.793 -3.930 1.00 0.00 H new ATOM 384 N ALA A 278 -3.337 -19.547 -1.012 1.00 0.00 N ATOM 385 CA ALA A 278 -3.964 -19.733 0.293 1.00 0.00 C ATOM 386 C ALA A 278 -5.213 -18.869 0.430 1.00 0.00 C ATOM 387 O ALA A 278 -6.183 -19.331 1.067 1.00 0.00 O ATOM 388 CB ALA A 278 -2.975 -19.416 1.406 1.00 0.00 C ATOM 389 OXT ALA A 278 -5.212 -17.740 -0.103 1.00 0.00 O ATOM 0 H ALA A 278 -2.381 -19.193 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 278 -4.265 -20.777 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -3.457 -19.559 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -2.114 -20.080 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -2.644 -18.381 1.315 1.00 0.00 H new TER 395 ALA A 278 ATOM 396 N MET B 1 -15.248 -1.231 3.268 1.00 0.00 N ATOM 397 CA MET B 1 -14.278 -2.168 3.891 1.00 0.00 C ATOM 398 C MET B 1 -13.113 -1.413 4.526 1.00 0.00 C ATOM 399 O MET B 1 -12.541 -0.507 3.918 1.00 0.00 O ATOM 400 CB MET B 1 -13.771 -3.128 2.812 1.00 0.00 C ATOM 401 CG MET B 1 -12.782 -4.161 3.325 1.00 0.00 C ATOM 402 SD MET B 1 -12.250 -5.311 2.041 1.00 0.00 S ATOM 403 CE MET B 1 -11.523 -4.185 0.853 1.00 0.00 C ATOM 0 H1 MET B 1 -15.975 -1.772 2.757 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.700 -0.657 4.008 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.749 -0.607 2.602 1.00 0.00 H new ATOM 0 HA MET B 1 -14.773 -2.727 4.685 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.623 -3.643 2.368 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.299 -2.550 2.018 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.910 -3.651 3.735 1.00 0.00 H new ATOM 0 HG3 MET B 1 -13.238 -4.720 4.142 1.00 0.00 H new ATOM 0 HE1 MET B 1 -10.963 -4.752 0.109 1.00 0.00 H new ATOM 0 HE2 MET B 1 -12.312 -3.618 0.359 1.00 0.00 H new ATOM 0 HE3 MET B 1 -10.850 -3.498 1.367 1.00 0.00 H new ATOM 415 N GLN B 2 -12.770 -1.792 5.754 1.00 0.00 N ATOM 416 CA GLN B 2 -11.676 -1.153 6.479 1.00 0.00 C ATOM 417 C GLN B 2 -10.337 -1.791 6.124 1.00 0.00 C ATOM 418 O GLN B 2 -10.261 -2.991 5.871 1.00 0.00 O ATOM 419 CB GLN B 2 -11.918 -1.238 7.988 1.00 0.00 C ATOM 420 CG GLN B 2 -12.033 -2.660 8.510 1.00 0.00 C ATOM 421 CD GLN B 2 -12.308 -2.713 10.000 1.00 0.00 C ATOM 422 OE1 GLN B 2 -11.385 -3.301 10.751 1.00 0.00 O flip ATOM 423 NE2 GLN B 2 -13.335 -2.225 10.471 1.00 0.00 N flip ATOM 0 H GLN B 2 -13.235 -2.540 6.269 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.642 -0.104 6.184 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -11.102 -0.735 8.507 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -12.832 -0.696 8.231 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.833 -3.175 7.978 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -11.110 -3.198 8.295 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -14.018 -1.782 9.856 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -13.503 -2.263 11.476 1.00 0.00 H new ATOM 432 N ILE B 3 -9.283 -0.979 6.110 1.00 0.00 N ATOM 433 CA ILE B 3 -7.944 -1.466 5.789 1.00 0.00 C ATOM 434 C ILE B 3 -6.888 -0.733 6.609 1.00 0.00 C ATOM 435 O ILE B 3 -6.992 0.475 6.834 1.00 0.00 O ATOM 436 CB ILE B 3 -7.616 -1.302 4.291 1.00 0.00 C ATOM 437 CG1 ILE B 3 -7.719 0.169 3.878 1.00 0.00 C ATOM 438 CG2 ILE B 3 -8.544 -2.166 3.448 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.299 0.432 2.447 1.00 0.00 C ATOM 0 H ILE B 3 -9.330 0.019 6.317 1.00 0.00 H new ATOM 0 HA ILE B 3 -7.931 -2.528 6.036 1.00 0.00 H new ATOM 0 HB ILE B 3 -6.591 -1.632 4.121 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.748 0.503 4.012 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.099 0.768 4.545 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -8.300 -2.040 2.393 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -8.419 -3.212 3.726 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.577 -1.865 3.620 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.399 1.495 2.228 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.261 0.130 2.311 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -7.935 -0.139 1.770 1.00 0.00 H new ATOM 451 N PHE B 4 -5.877 -1.471 7.058 1.00 0.00 N ATOM 452 CA PHE B 4 -4.804 -0.889 7.856 1.00 0.00 C ATOM 453 C PHE B 4 -3.572 -0.582 7.017 1.00 0.00 C ATOM 454 O PHE B 4 -3.066 -1.443 6.299 1.00 0.00 O ATOM 455 CB PHE B 4 -4.404 -1.824 8.999 1.00 0.00 C ATOM 456 CG PHE B 4 -5.234 -1.668 10.239 1.00 0.00 C ATOM 457 CD1 PHE B 4 -6.523 -2.172 10.307 1.00 0.00 C ATOM 458 CD2 PHE B 4 -4.717 -1.008 11.341 1.00 0.00 C ATOM 459 CE1 PHE B 4 -7.278 -2.022 11.456 1.00 0.00 C ATOM 460 CE2 PHE B 4 -5.465 -0.853 12.490 1.00 0.00 C ATOM 461 CZ PHE B 4 -6.747 -1.362 12.549 1.00 0.00 C ATOM 0 H PHE B 4 -5.779 -2.471 6.883 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.191 0.045 8.262 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -4.478 -2.855 8.653 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -3.358 -1.646 9.250 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -6.942 -2.687 9.455 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -3.714 -0.609 11.301 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.281 -2.420 11.500 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -5.049 -0.335 13.341 1.00 0.00 H new ATOM 0 HZ PHE B 4 -7.334 -1.245 13.448 1.00 0.00 H new ATOM 471 N VAL B 5 -3.069 0.640 7.144 1.00 0.00 N ATOM 472 CA VAL B 5 -1.869 1.047 6.433 1.00 0.00 C ATOM 473 C VAL B 5 -0.648 0.744 7.292 1.00 0.00 C ATOM 474 O VAL B 5 -0.497 1.303 8.380 1.00 0.00 O ATOM 475 CB VAL B 5 -1.892 2.549 6.087 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.609 2.959 5.380 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.105 2.883 5.232 1.00 0.00 C ATOM 0 H VAL B 5 -3.476 1.365 7.734 1.00 0.00 H new ATOM 0 HA VAL B 5 -1.825 0.488 5.498 1.00 0.00 H new ATOM 0 HB VAL B 5 -1.963 3.112 7.018 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.647 4.023 5.145 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.244 2.761 6.030 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.503 2.387 4.458 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -3.103 3.948 4.998 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.067 2.308 4.307 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.015 2.633 5.778 1.00 0.00 H new ATOM 487 N LYS B 6 0.205 -0.158 6.812 1.00 0.00 N ATOM 488 CA LYS B 6 1.400 -0.546 7.553 1.00 0.00 C ATOM 489 C LYS B 6 2.646 0.152 7.016 1.00 0.00 C ATOM 490 O LYS B 6 2.890 0.176 5.808 1.00 0.00 O ATOM 491 CB LYS B 6 1.588 -2.063 7.500 1.00 0.00 C ATOM 492 CG LYS B 6 2.797 -2.553 8.281 1.00 0.00 C ATOM 493 CD LYS B 6 2.911 -4.068 8.244 1.00 0.00 C ATOM 494 CE LYS B 6 4.094 -4.556 9.066 1.00 0.00 C ATOM 495 NZ LYS B 6 3.976 -4.160 10.496 1.00 0.00 N ATOM 0 H LYS B 6 0.091 -0.632 5.916 1.00 0.00 H new ATOM 0 HA LYS B 6 1.261 -0.235 8.588 1.00 0.00 H new ATOM 0 HB2 LYS B 6 0.693 -2.546 7.892 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.688 -2.372 6.460 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.702 -2.109 7.867 1.00 0.00 H new ATOM 0 HG3 LYS B 6 2.722 -2.218 9.316 1.00 0.00 H new ATOM 0 HD2 LYS B 6 1.992 -4.513 8.626 1.00 0.00 H new ATOM 0 HD3 LYS B 6 3.021 -4.401 7.212 1.00 0.00 H new ATOM 0 HE2 LYS B 6 4.163 -5.641 8.994 1.00 0.00 H new ATOM 0 HE3 LYS B 6 5.017 -4.150 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 4.649 -4.712 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 4.189 -3.147 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 3.008 -4.344 10.828 1.00 0.00 H new ATOM 509 N THR B 7 3.436 0.707 7.930 1.00 0.00 N ATOM 510 CA THR B 7 4.669 1.397 7.572 1.00 0.00 C ATOM 511 C THR B 7 5.879 0.499 7.806 1.00 0.00 C ATOM 512 O THR B 7 5.874 -0.333 8.714 1.00 0.00 O ATOM 513 CB THR B 7 4.845 2.694 8.382 1.00 0.00 C ATOM 514 OG1 THR B 7 4.924 2.393 9.780 1.00 0.00 O ATOM 515 CG2 THR B 7 3.689 3.650 8.131 1.00 0.00 C ATOM 0 H THR B 7 3.241 0.691 8.931 1.00 0.00 H new ATOM 0 HA THR B 7 4.598 1.648 6.514 1.00 0.00 H new ATOM 0 HB THR B 7 5.770 3.173 8.060 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.814 2.628 10.115 1.00 0.00 H new ATOM 0 HG21 THR B 7 3.836 4.559 8.714 1.00 0.00 H new ATOM 0 HG22 THR B 7 3.648 3.901 7.071 1.00 0.00 H new ATOM 0 HG23 THR B 7 2.754 3.176 8.428 1.00 0.00 H new ATOM 523 N LEU B 8 6.913 0.673 6.988 1.00 0.00 N ATOM 524 CA LEU B 8 8.133 -0.121 7.115 1.00 0.00 C ATOM 525 C LEU B 8 8.659 -0.091 8.545 1.00 0.00 C ATOM 526 O LEU B 8 9.209 -1.078 9.034 1.00 0.00 O ATOM 527 CB LEU B 8 9.213 0.385 6.151 1.00 0.00 C ATOM 528 CG LEU B 8 9.085 -0.099 4.701 1.00 0.00 C ATOM 529 CD1 LEU B 8 9.245 -1.610 4.626 1.00 0.00 C ATOM 530 CD2 LEU B 8 7.755 0.325 4.101 1.00 0.00 C ATOM 0 H LEU B 8 6.931 1.356 6.231 1.00 0.00 H new ATOM 0 HA LEU B 8 7.886 -1.151 6.858 1.00 0.00 H new ATOM 0 HB2 LEU B 8 9.196 1.475 6.154 1.00 0.00 H new ATOM 0 HB3 LEU B 8 10.187 0.080 6.533 1.00 0.00 H new ATOM 0 HG LEU B 8 9.882 0.364 4.119 1.00 0.00 H new ATOM 0 HD11 LEU B 8 9.151 -1.935 3.590 1.00 0.00 H new ATOM 0 HD12 LEU B 8 10.227 -1.891 5.007 1.00 0.00 H new ATOM 0 HD13 LEU B 8 8.472 -2.088 5.228 1.00 0.00 H new ATOM 0 HD21 LEU B 8 7.690 -0.031 3.073 1.00 0.00 H new ATOM 0 HD22 LEU B 8 6.940 -0.102 4.685 1.00 0.00 H new ATOM 0 HD23 LEU B 8 7.680 1.412 4.114 1.00 0.00 H new ATOM 542 N THR B 9 8.485 1.045 9.213 1.00 0.00 N ATOM 543 CA THR B 9 8.943 1.197 10.588 1.00 0.00 C ATOM 544 C THR B 9 8.240 0.209 11.514 1.00 0.00 C ATOM 545 O THR B 9 8.888 -0.498 12.286 1.00 0.00 O ATOM 546 CB THR B 9 8.703 2.626 11.108 1.00 0.00 C ATOM 547 OG1 THR B 9 7.304 2.932 11.075 1.00 0.00 O ATOM 548 CG2 THR B 9 9.469 3.641 10.271 1.00 0.00 C ATOM 0 H THR B 9 8.031 1.872 8.825 1.00 0.00 H new ATOM 0 HA THR B 9 10.014 0.994 10.587 1.00 0.00 H new ATOM 0 HB THR B 9 9.061 2.680 12.136 1.00 0.00 H new ATOM 0 HG1 THR B 9 7.160 3.842 11.409 1.00 0.00 H new ATOM 0 HG21 THR B 9 9.285 4.644 10.656 1.00 0.00 H new ATOM 0 HG22 THR B 9 10.536 3.423 10.322 1.00 0.00 H new ATOM 0 HG23 THR B 9 9.136 3.584 9.235 1.00 0.00 H new ATOM 556 N GLY B 10 6.913 0.161 11.431 1.00 0.00 N ATOM 557 CA GLY B 10 6.154 -0.749 12.270 1.00 0.00 C ATOM 558 C GLY B 10 4.922 -0.102 12.875 1.00 0.00 C ATOM 559 O GLY B 10 4.783 -0.050 14.097 1.00 0.00 O ATOM 0 H GLY B 10 6.352 0.734 10.800 1.00 0.00 H new ATOM 0 HA2 GLY B 10 5.852 -1.614 11.679 1.00 0.00 H new ATOM 0 HA3 GLY B 10 6.795 -1.118 13.071 1.00 0.00 H new ATOM 563 N LYS B 11 4.027 0.395 12.025 1.00 0.00 N ATOM 564 CA LYS B 11 2.810 1.042 12.503 1.00 0.00 C ATOM 565 C LYS B 11 1.661 0.863 11.513 1.00 0.00 C ATOM 566 O LYS B 11 1.801 1.148 10.323 1.00 0.00 O ATOM 567 CB LYS B 11 3.064 2.534 12.737 1.00 0.00 C ATOM 568 CG LYS B 11 1.893 3.264 13.378 1.00 0.00 C ATOM 569 CD LYS B 11 1.608 2.743 14.777 1.00 0.00 C ATOM 570 CE LYS B 11 0.414 3.447 15.402 1.00 0.00 C ATOM 571 NZ LYS B 11 -0.829 3.246 14.608 1.00 0.00 N ATOM 0 H LYS B 11 4.121 0.362 11.010 1.00 0.00 H new ATOM 0 HA LYS B 11 2.527 0.569 13.444 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.943 2.648 13.372 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.297 3.007 11.783 1.00 0.00 H new ATOM 0 HG2 LYS B 11 2.110 4.331 13.424 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.005 3.145 12.757 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.418 1.670 14.735 1.00 0.00 H new ATOM 0 HD3 LYS B 11 2.487 2.887 15.406 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.262 3.073 16.415 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.624 4.514 15.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -1.616 3.013 15.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.053 4.118 14.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -0.688 2.466 13.934 1.00 0.00 H new ATOM 585 N THR B 12 0.525 0.389 12.019 1.00 0.00 N ATOM 586 CA THR B 12 -0.655 0.168 11.199 1.00 0.00 C ATOM 587 C THR B 12 -1.792 1.089 11.624 1.00 0.00 C ATOM 588 O THR B 12 -2.031 1.278 12.817 1.00 0.00 O ATOM 589 CB THR B 12 -1.132 -1.289 11.303 1.00 0.00 C ATOM 590 OG1 THR B 12 -1.385 -1.625 12.673 1.00 0.00 O ATOM 591 CG2 THR B 12 -0.098 -2.242 10.722 1.00 0.00 C ATOM 0 H THR B 12 0.400 0.150 13.003 1.00 0.00 H new ATOM 0 HA THR B 12 -0.377 0.385 10.168 1.00 0.00 H new ATOM 0 HB THR B 12 -2.054 -1.388 10.729 1.00 0.00 H new ATOM 0 HG1 THR B 12 -1.690 -2.554 12.731 1.00 0.00 H new ATOM 0 HG21 THR B 12 -0.459 -3.267 10.808 1.00 0.00 H new ATOM 0 HG22 THR B 12 0.068 -2.002 9.672 1.00 0.00 H new ATOM 0 HG23 THR B 12 0.839 -2.141 11.270 1.00 0.00 H new ATOM 599 N ILE B 13 -2.492 1.664 10.650 1.00 0.00 N ATOM 600 CA ILE B 13 -3.602 2.565 10.955 1.00 0.00 C ATOM 601 C ILE B 13 -4.843 2.258 10.119 1.00 0.00 C ATOM 602 O ILE B 13 -4.757 2.018 8.917 1.00 0.00 O ATOM 603 CB ILE B 13 -3.205 4.039 10.750 1.00 0.00 C ATOM 604 CG1 ILE B 13 -2.082 4.417 11.721 1.00 0.00 C ATOM 605 CG2 ILE B 13 -4.416 4.944 10.940 1.00 0.00 C ATOM 606 CD1 ILE B 13 -1.612 5.849 11.587 1.00 0.00 C ATOM 0 H ILE B 13 -2.315 1.526 9.655 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.844 2.400 12.005 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.840 4.172 9.732 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.427 4.252 12.742 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -1.235 3.750 11.559 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -4.121 5.983 10.792 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -5.186 4.679 10.215 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -4.809 4.819 11.949 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -0.817 6.040 12.307 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -1.235 6.015 10.578 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -2.445 6.525 11.779 1.00 0.00 H new ATOM 618 N THR B 14 -5.999 2.275 10.777 1.00 0.00 N ATOM 619 CA THR B 14 -7.274 2.005 10.119 1.00 0.00 C ATOM 620 C THR B 14 -7.584 3.051 9.054 1.00 0.00 C ATOM 621 O THR B 14 -7.277 4.231 9.222 1.00 0.00 O ATOM 622 CB THR B 14 -8.436 1.989 11.131 1.00 0.00 C ATOM 623 OG1 THR B 14 -8.122 1.137 12.236 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.722 1.512 10.472 1.00 0.00 C ATOM 0 H THR B 14 -6.079 2.475 11.774 1.00 0.00 H new ATOM 0 HA THR B 14 -7.178 1.024 9.653 1.00 0.00 H new ATOM 0 HB THR B 14 -8.582 3.008 11.490 1.00 0.00 H new ATOM 0 HG1 THR B 14 -7.471 0.461 11.953 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.528 1.509 11.206 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.981 2.182 9.652 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.580 0.503 10.085 1.00 0.00 H new ATOM 632 N LEU B 15 -8.210 2.614 7.967 1.00 0.00 N ATOM 633 CA LEU B 15 -8.582 3.516 6.883 1.00 0.00 C ATOM 634 C LEU B 15 -9.765 2.939 6.111 1.00 0.00 C ATOM 635 O LEU B 15 -9.659 1.883 5.489 1.00 0.00 O ATOM 636 CB LEU B 15 -7.383 3.745 5.952 1.00 0.00 C ATOM 637 CG LEU B 15 -7.438 5.014 5.087 1.00 0.00 C ATOM 638 CD1 LEU B 15 -8.615 4.976 4.123 1.00 0.00 C ATOM 639 CD2 LEU B 15 -7.509 6.254 5.966 1.00 0.00 C ATOM 0 H LEU B 15 -8.471 1.640 7.813 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.878 4.478 7.302 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -6.478 3.781 6.559 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -7.290 2.882 5.292 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.523 5.056 4.496 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.626 5.888 3.526 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.519 4.112 3.465 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.545 4.901 4.687 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.547 7.144 5.338 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.404 6.209 6.587 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -6.627 6.298 6.604 1.00 0.00 H new ATOM 651 N GLU B 16 -10.895 3.638 6.170 1.00 0.00 N ATOM 652 CA GLU B 16 -12.109 3.197 5.490 1.00 0.00 C ATOM 653 C GLU B 16 -12.011 3.428 3.987 1.00 0.00 C ATOM 654 O GLU B 16 -11.602 4.498 3.537 1.00 0.00 O ATOM 655 CB GLU B 16 -13.331 3.924 6.067 1.00 0.00 C ATOM 656 CG GLU B 16 -14.665 3.433 5.519 1.00 0.00 C ATOM 657 CD GLU B 16 -15.005 4.010 4.156 1.00 0.00 C ATOM 658 OE1 GLU B 16 -14.279 4.913 3.690 1.00 0.00 O ATOM 659 OE2 GLU B 16 -16.012 3.570 3.563 1.00 0.00 O ATOM 0 H GLU B 16 -10.995 4.514 6.683 1.00 0.00 H new ATOM 0 HA GLU B 16 -12.224 2.126 5.657 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.331 3.808 7.151 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.236 4.990 5.861 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.643 2.345 5.450 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.456 3.692 6.223 1.00 0.00 H new ATOM 666 N VAL B 17 -12.400 2.415 3.217 1.00 0.00 N ATOM 667 CA VAL B 17 -12.368 2.498 1.759 1.00 0.00 C ATOM 668 C VAL B 17 -13.460 1.635 1.132 1.00 0.00 C ATOM 669 O VAL B 17 -13.604 0.458 1.463 1.00 0.00 O ATOM 670 CB VAL B 17 -11.003 2.055 1.191 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.907 3.026 1.596 1.00 0.00 C ATOM 672 CG2 VAL B 17 -10.665 0.645 1.648 1.00 0.00 C ATOM 0 H VAL B 17 -12.742 1.525 3.579 1.00 0.00 H new ATOM 0 HA VAL B 17 -12.537 3.545 1.506 1.00 0.00 H new ATOM 0 HB VAL B 17 -11.072 2.057 0.103 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.955 2.692 1.184 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -10.141 4.019 1.212 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.838 3.064 2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.699 0.351 1.237 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.620 0.616 2.737 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -11.433 -0.045 1.298 1.00 0.00 H new ATOM 682 N GLU B 18 -14.223 2.228 0.221 1.00 0.00 N ATOM 683 CA GLU B 18 -15.296 1.514 -0.461 1.00 0.00 C ATOM 684 C GLU B 18 -14.766 0.809 -1.706 1.00 0.00 C ATOM 685 O GLU B 18 -13.926 1.352 -2.426 1.00 0.00 O ATOM 686 CB GLU B 18 -16.422 2.477 -0.841 1.00 0.00 C ATOM 687 CG GLU B 18 -17.061 3.165 0.355 1.00 0.00 C ATOM 688 CD GLU B 18 -18.179 4.110 -0.042 1.00 0.00 C ATOM 689 OE1 GLU B 18 -18.470 4.212 -1.252 1.00 0.00 O ATOM 690 OE2 GLU B 18 -18.765 4.748 0.859 1.00 0.00 O ATOM 0 H GLU B 18 -14.118 3.202 -0.063 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.693 0.762 0.221 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -16.028 3.235 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -17.189 1.929 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -17.454 2.410 1.036 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -16.298 3.720 0.900 1.00 0.00 H new ATOM 697 N SER B 19 -15.259 -0.402 -1.953 1.00 0.00 N ATOM 698 CA SER B 19 -14.834 -1.183 -3.110 1.00 0.00 C ATOM 699 C SER B 19 -14.996 -0.379 -4.398 1.00 0.00 C ATOM 700 O SER B 19 -14.143 -0.432 -5.285 1.00 0.00 O ATOM 701 CB SER B 19 -15.640 -2.481 -3.200 1.00 0.00 C ATOM 702 OG SER B 19 -17.023 -2.214 -3.350 1.00 0.00 O ATOM 0 H SER B 19 -15.954 -0.864 -1.366 1.00 0.00 H new ATOM 0 HA SER B 19 -13.779 -1.427 -2.985 1.00 0.00 H new ATOM 0 HB2 SER B 19 -15.287 -3.074 -4.044 1.00 0.00 H new ATOM 0 HB3 SER B 19 -15.477 -3.077 -2.302 1.00 0.00 H new ATOM 0 HG SER B 19 -17.515 -3.060 -3.407 1.00 0.00 H new ATOM 708 N SER B 20 -16.094 0.367 -4.490 1.00 0.00 N ATOM 709 CA SER B 20 -16.369 1.185 -5.667 1.00 0.00 C ATOM 710 C SER B 20 -15.261 2.210 -5.891 1.00 0.00 C ATOM 711 O SER B 20 -14.792 2.395 -7.014 1.00 0.00 O ATOM 712 CB SER B 20 -17.716 1.896 -5.518 1.00 0.00 C ATOM 713 OG SER B 20 -18.772 0.963 -5.371 1.00 0.00 O ATOM 0 H SER B 20 -16.808 0.422 -3.763 1.00 0.00 H new ATOM 0 HA SER B 20 -16.408 0.526 -6.534 1.00 0.00 H new ATOM 0 HB2 SER B 20 -17.688 2.557 -4.652 1.00 0.00 H new ATOM 0 HB3 SER B 20 -17.899 2.522 -6.391 1.00 0.00 H new ATOM 0 HG SER B 20 -19.621 1.443 -5.276 1.00 0.00 H new ATOM 719 N ASP B 21 -14.844 2.872 -4.814 1.00 0.00 N ATOM 720 CA ASP B 21 -13.788 3.876 -4.893 1.00 0.00 C ATOM 721 C ASP B 21 -12.506 3.274 -5.459 1.00 0.00 C ATOM 722 O ASP B 21 -12.112 2.167 -5.090 1.00 0.00 O ATOM 723 CB ASP B 21 -13.523 4.478 -3.512 1.00 0.00 C ATOM 724 CG ASP B 21 -14.703 5.279 -2.997 1.00 0.00 C ATOM 725 OD1 ASP B 21 -15.804 4.703 -2.873 1.00 0.00 O ATOM 726 OD2 ASP B 21 -14.527 6.484 -2.718 1.00 0.00 O ATOM 0 H ASP B 21 -15.222 2.731 -3.877 1.00 0.00 H new ATOM 0 HA ASP B 21 -14.121 4.667 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -13.294 3.678 -2.807 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -12.644 5.121 -3.561 1.00 0.00 H new ATOM 731 N THR B 22 -11.864 4.007 -6.364 1.00 0.00 N ATOM 732 CA THR B 22 -10.631 3.541 -6.989 1.00 0.00 C ATOM 733 C THR B 22 -9.434 3.731 -6.065 1.00 0.00 C ATOM 734 O THR B 22 -9.588 3.843 -4.849 1.00 0.00 O ATOM 735 CB THR B 22 -10.367 4.279 -8.315 1.00 0.00 C ATOM 736 OG1 THR B 22 -10.244 5.687 -8.078 1.00 0.00 O ATOM 737 CG2 THR B 22 -11.492 4.025 -9.307 1.00 0.00 C ATOM 0 H THR B 22 -12.177 4.925 -6.680 1.00 0.00 H new ATOM 0 HA THR B 22 -10.760 2.477 -7.189 1.00 0.00 H new ATOM 0 HB THR B 22 -9.436 3.900 -8.737 1.00 0.00 H new ATOM 0 HG1 THR B 22 -10.075 6.148 -8.926 1.00 0.00 H new ATOM 0 HG21 THR B 22 -11.285 4.556 -10.236 1.00 0.00 H new ATOM 0 HG22 THR B 22 -11.565 2.956 -9.508 1.00 0.00 H new ATOM 0 HG23 THR B 22 -12.433 4.381 -8.888 1.00 0.00 H new ATOM 745 N ILE B 23 -8.240 3.775 -6.651 1.00 0.00 N ATOM 746 CA ILE B 23 -7.018 3.960 -5.880 1.00 0.00 C ATOM 747 C ILE B 23 -6.844 5.421 -5.486 1.00 0.00 C ATOM 748 O ILE B 23 -6.450 5.728 -4.361 1.00 0.00 O ATOM 749 CB ILE B 23 -5.773 3.498 -6.663 1.00 0.00 C ATOM 750 CG1 ILE B 23 -5.928 2.040 -7.111 1.00 0.00 C ATOM 751 CG2 ILE B 23 -4.524 3.666 -5.809 1.00 0.00 C ATOM 752 CD1 ILE B 23 -6.100 1.062 -5.967 1.00 0.00 C ATOM 0 H ILE B 23 -8.095 3.685 -7.657 1.00 0.00 H new ATOM 0 HA ILE B 23 -7.113 3.347 -4.984 1.00 0.00 H new ATOM 0 HB ILE B 23 -5.672 4.118 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -6.790 1.963 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -5.052 1.754 -7.692 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.651 3.336 -6.372 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -4.407 4.715 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.619 3.067 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.203 0.052 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -5.228 1.108 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.993 1.321 -5.398 1.00 0.00 H new ATOM 764 N ASP B 24 -7.143 6.318 -6.423 1.00 0.00 N ATOM 765 CA ASP B 24 -7.026 7.752 -6.177 1.00 0.00 C ATOM 766 C ASP B 24 -7.862 8.156 -4.969 1.00 0.00 C ATOM 767 O ASP B 24 -7.424 8.945 -4.132 1.00 0.00 O ATOM 768 CB ASP B 24 -7.471 8.541 -7.410 1.00 0.00 C ATOM 769 CG ASP B 24 -7.382 10.040 -7.202 1.00 0.00 C ATOM 770 OD1 ASP B 24 -6.265 10.539 -6.952 1.00 0.00 O ATOM 771 OD2 ASP B 24 -8.429 10.715 -7.288 1.00 0.00 O ATOM 0 H ASP B 24 -7.468 6.076 -7.359 1.00 0.00 H new ATOM 0 HA ASP B 24 -5.981 7.981 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -6.852 8.258 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -8.498 8.272 -7.659 1.00 0.00 H new ATOM 776 N ASN B 25 -9.068 7.602 -4.886 1.00 0.00 N ATOM 777 CA ASN B 25 -9.975 7.891 -3.781 1.00 0.00 C ATOM 778 C ASN B 25 -9.335 7.509 -2.449 1.00 0.00 C ATOM 779 O ASN B 25 -9.346 8.287 -1.491 1.00 0.00 O ATOM 780 CB ASN B 25 -11.291 7.133 -3.976 1.00 0.00 C ATOM 781 CG ASN B 25 -12.025 7.540 -5.243 1.00 0.00 C ATOM 782 OD1 ASN B 25 -13.078 6.989 -5.564 1.00 0.00 O ATOM 783 ND2 ASN B 25 -11.479 8.511 -5.971 1.00 0.00 N ATOM 0 H ASN B 25 -9.441 6.948 -5.574 1.00 0.00 H new ATOM 0 HA ASN B 25 -10.181 8.961 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -11.087 6.063 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -11.937 7.309 -3.116 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -11.935 8.823 -6.829 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -10.605 8.943 -5.671 1.00 0.00 H new ATOM 790 N VAL B 26 -8.763 6.311 -2.399 1.00 0.00 N ATOM 791 CA VAL B 26 -8.104 5.832 -1.193 1.00 0.00 C ATOM 792 C VAL B 26 -6.939 6.745 -0.828 1.00 0.00 C ATOM 793 O VAL B 26 -6.701 7.029 0.345 1.00 0.00 O ATOM 794 CB VAL B 26 -7.584 4.391 -1.367 1.00 0.00 C ATOM 795 CG1 VAL B 26 -6.924 3.899 -0.089 1.00 0.00 C ATOM 796 CG2 VAL B 26 -8.715 3.461 -1.783 1.00 0.00 C ATOM 0 H VAL B 26 -8.743 5.655 -3.180 1.00 0.00 H new ATOM 0 HA VAL B 26 -8.844 5.840 -0.392 1.00 0.00 H new ATOM 0 HB VAL B 26 -6.833 4.391 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -6.564 2.880 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -6.085 4.548 0.160 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -7.649 3.915 0.725 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -8.329 2.449 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -9.491 3.467 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -9.136 3.801 -2.729 1.00 0.00 H new ATOM 806 N LYS B 27 -6.220 7.203 -1.848 1.00 0.00 N ATOM 807 CA LYS B 27 -5.079 8.089 -1.649 1.00 0.00 C ATOM 808 C LYS B 27 -5.501 9.406 -1.008 1.00 0.00 C ATOM 809 O LYS B 27 -4.838 9.896 -0.096 1.00 0.00 O ATOM 810 CB LYS B 27 -4.374 8.354 -2.980 1.00 0.00 C ATOM 811 CG LYS B 27 -3.594 7.160 -3.507 1.00 0.00 C ATOM 812 CD LYS B 27 -2.434 6.808 -2.589 1.00 0.00 C ATOM 813 CE LYS B 27 -1.612 5.656 -3.144 1.00 0.00 C ATOM 814 NZ LYS B 27 -0.436 5.352 -2.282 1.00 0.00 N ATOM 0 H LYS B 27 -6.409 6.974 -2.824 1.00 0.00 H new ATOM 0 HA LYS B 27 -4.386 7.591 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.116 8.648 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -3.693 9.197 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -4.259 6.302 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -3.216 7.382 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -1.795 7.681 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -2.817 6.541 -1.604 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -2.240 4.769 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -1.272 5.903 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.101 4.388 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 0.326 6.031 -2.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -0.711 5.425 -1.282 1.00 0.00 H new ATOM 828 N SER B 28 -6.604 9.976 -1.483 1.00 0.00 N ATOM 829 CA SER B 28 -7.096 11.235 -0.936 1.00 0.00 C ATOM 830 C SER B 28 -7.461 11.065 0.535 1.00 0.00 C ATOM 831 O SER B 28 -7.130 11.909 1.369 1.00 0.00 O ATOM 832 CB SER B 28 -8.306 11.736 -1.730 1.00 0.00 C ATOM 833 OG SER B 28 -9.388 10.827 -1.646 1.00 0.00 O ATOM 0 H SER B 28 -7.170 9.590 -2.239 1.00 0.00 H new ATOM 0 HA SER B 28 -6.302 11.978 -1.017 1.00 0.00 H new ATOM 0 HB2 SER B 28 -8.616 12.709 -1.350 1.00 0.00 H new ATOM 0 HB3 SER B 28 -8.026 11.876 -2.774 1.00 0.00 H new ATOM 0 HG SER B 28 -9.061 9.915 -1.792 1.00 0.00 H new ATOM 839 N LYS B 29 -8.135 9.961 0.847 1.00 0.00 N ATOM 840 CA LYS B 29 -8.536 9.673 2.222 1.00 0.00 C ATOM 841 C LYS B 29 -7.311 9.527 3.125 1.00 0.00 C ATOM 842 O LYS B 29 -7.249 10.113 4.208 1.00 0.00 O ATOM 843 CB LYS B 29 -9.373 8.393 2.273 1.00 0.00 C ATOM 844 CG LYS B 29 -10.630 8.448 1.420 1.00 0.00 C ATOM 845 CD LYS B 29 -11.413 7.149 1.506 1.00 0.00 C ATOM 846 CE LYS B 29 -12.655 7.183 0.631 1.00 0.00 C ATOM 847 NZ LYS B 29 -13.406 5.897 0.682 1.00 0.00 N ATOM 0 H LYS B 29 -8.415 9.253 0.168 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.137 10.508 2.582 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.759 7.555 1.944 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -9.655 8.195 3.307 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.258 9.276 1.748 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.360 8.644 0.382 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.776 6.319 1.201 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.702 6.966 2.541 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.305 7.996 0.955 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.368 7.395 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.353 6.032 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.894 5.174 0.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.496 5.587 1.670 1.00 0.00 H new ATOM 861 N ILE B 30 -6.339 8.741 2.668 1.00 0.00 N ATOM 862 CA ILE B 30 -5.113 8.511 3.425 1.00 0.00 C ATOM 863 C ILE B 30 -4.320 9.803 3.592 1.00 0.00 C ATOM 864 O ILE B 30 -3.746 10.058 4.649 1.00 0.00 O ATOM 865 CB ILE B 30 -4.221 7.448 2.746 1.00 0.00 C ATOM 866 CG1 ILE B 30 -4.959 6.108 2.669 1.00 0.00 C ATOM 867 CG2 ILE B 30 -2.908 7.294 3.503 1.00 0.00 C ATOM 868 CD1 ILE B 30 -4.192 5.031 1.931 1.00 0.00 C ATOM 0 H ILE B 30 -6.378 8.252 1.774 1.00 0.00 H new ATOM 0 HA ILE B 30 -5.411 8.144 4.407 1.00 0.00 H new ATOM 0 HB ILE B 30 -3.995 7.777 1.732 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -5.171 5.762 3.681 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -5.919 6.260 2.176 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.291 6.541 3.012 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.379 8.247 3.512 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -3.113 6.983 4.527 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -4.777 4.112 1.918 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -4.002 5.356 0.908 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -3.243 4.849 2.436 1.00 0.00 H new ATOM 880 N GLN B 31 -4.292 10.614 2.541 1.00 0.00 N ATOM 881 CA GLN B 31 -3.570 11.879 2.571 1.00 0.00 C ATOM 882 C GLN B 31 -4.132 12.788 3.656 1.00 0.00 C ATOM 883 O GLN B 31 -3.383 13.423 4.395 1.00 0.00 O ATOM 884 CB GLN B 31 -3.649 12.564 1.200 1.00 0.00 C ATOM 885 CG GLN B 31 -2.823 13.840 1.087 1.00 0.00 C ATOM 886 CD GLN B 31 -3.589 15.091 1.484 1.00 0.00 C ATOM 887 OE1 GLN B 31 -3.989 15.258 2.634 1.00 0.00 O ATOM 888 NE2 GLN B 31 -3.796 15.982 0.521 1.00 0.00 N ATOM 0 H GLN B 31 -4.761 10.417 1.657 1.00 0.00 H new ATOM 0 HA GLN B 31 -2.523 11.679 2.801 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -3.316 11.861 0.436 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -4.691 12.800 0.984 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -1.939 13.749 1.718 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -2.473 13.948 0.060 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -3.447 15.805 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -4.304 16.843 0.724 1.00 0.00 H new ATOM 897 N ASP B 32 -5.456 12.849 3.745 1.00 0.00 N ATOM 898 CA ASP B 32 -6.117 13.688 4.739 1.00 0.00 C ATOM 899 C ASP B 32 -5.824 13.207 6.160 1.00 0.00 C ATOM 900 O ASP B 32 -5.498 14.007 7.037 1.00 0.00 O ATOM 901 CB ASP B 32 -7.628 13.706 4.494 1.00 0.00 C ATOM 902 CG ASP B 32 -8.369 14.609 5.465 1.00 0.00 C ATOM 903 OD1 ASP B 32 -8.326 14.337 6.684 1.00 0.00 O ATOM 904 OD2 ASP B 32 -8.992 15.589 5.005 1.00 0.00 O ATOM 0 H ASP B 32 -6.093 12.328 3.142 1.00 0.00 H new ATOM 0 HA ASP B 32 -5.723 14.699 4.637 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -7.823 14.039 3.474 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -8.018 12.692 4.578 1.00 0.00 H new ATOM 909 N LYS B 33 -5.958 11.903 6.388 1.00 0.00 N ATOM 910 CA LYS B 33 -5.722 11.333 7.714 1.00 0.00 C ATOM 911 C LYS B 33 -4.233 11.275 8.050 1.00 0.00 C ATOM 912 O LYS B 33 -3.767 11.948 8.970 1.00 0.00 O ATOM 913 CB LYS B 33 -6.326 9.929 7.800 1.00 0.00 C ATOM 914 CG LYS B 33 -6.229 9.308 9.186 1.00 0.00 C ATOM 915 CD LYS B 33 -6.903 7.945 9.240 1.00 0.00 C ATOM 916 CE LYS B 33 -8.399 8.049 8.982 1.00 0.00 C ATOM 917 NZ LYS B 33 -9.064 6.717 9.032 1.00 0.00 N ATOM 0 H LYS B 33 -6.227 11.223 5.677 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.205 11.985 8.441 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -7.374 9.975 7.504 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -5.821 9.281 7.084 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -5.181 9.207 9.467 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.692 9.972 9.916 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -6.451 7.285 8.500 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -6.732 7.493 10.217 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.850 8.708 9.723 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -8.569 8.503 8.006 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -9.730 6.632 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -8.346 5.968 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -9.581 6.620 9.929 1.00 0.00 H new ATOM 931 N GLU B 34 -3.499 10.454 7.308 1.00 0.00 N ATOM 932 CA GLU B 34 -2.065 10.286 7.529 1.00 0.00 C ATOM 933 C GLU B 34 -1.300 11.591 7.324 1.00 0.00 C ATOM 934 O GLU B 34 -0.314 11.853 8.014 1.00 0.00 O ATOM 935 CB GLU B 34 -1.509 9.207 6.596 1.00 0.00 C ATOM 936 CG GLU B 34 -2.117 7.830 6.818 1.00 0.00 C ATOM 937 CD GLU B 34 -1.800 7.256 8.187 1.00 0.00 C ATOM 938 OE1 GLU B 34 -1.071 7.915 8.959 1.00 0.00 O ATOM 939 OE2 GLU B 34 -2.278 6.142 8.486 1.00 0.00 O ATOM 0 H GLU B 34 -3.874 9.891 6.544 1.00 0.00 H new ATOM 0 HA GLU B 34 -1.929 9.979 8.566 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -1.683 9.508 5.563 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -0.429 9.143 6.732 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -3.199 7.893 6.698 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -1.750 7.149 6.050 1.00 0.00 H new ATOM 946 N GLY B 35 -1.745 12.399 6.368 1.00 0.00 N ATOM 947 CA GLY B 35 -1.070 13.654 6.091 1.00 0.00 C ATOM 948 C GLY B 35 0.156 13.453 5.225 1.00 0.00 C ATOM 949 O GLY B 35 1.229 13.981 5.518 1.00 0.00 O ATOM 0 H GLY B 35 -2.558 12.209 5.782 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -1.759 14.335 5.593 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -0.779 14.125 7.030 1.00 0.00 H new ATOM 953 N ILE B 36 -0.007 12.676 4.157 1.00 0.00 N ATOM 954 CA ILE B 36 1.088 12.385 3.239 1.00 0.00 C ATOM 955 C ILE B 36 0.607 12.407 1.789 1.00 0.00 C ATOM 956 O ILE B 36 -0.434 11.835 1.467 1.00 0.00 O ATOM 957 CB ILE B 36 1.707 11.002 3.540 1.00 0.00 C ATOM 958 CG1 ILE B 36 2.268 10.969 4.964 1.00 0.00 C ATOM 959 CG2 ILE B 36 2.791 10.667 2.524 1.00 0.00 C ATOM 960 CD1 ILE B 36 2.789 9.610 5.381 1.00 0.00 C ATOM 0 H ILE B 36 -0.892 12.235 3.906 1.00 0.00 H new ATOM 0 HA ILE B 36 1.843 13.158 3.381 1.00 0.00 H new ATOM 0 HB ILE B 36 0.925 10.247 3.461 1.00 0.00 H new ATOM 0 HG12 ILE B 36 3.074 11.698 5.044 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.488 11.279 5.660 1.00 0.00 H new ATOM 0 HG21 ILE B 36 3.215 9.689 2.753 1.00 0.00 H new ATOM 0 HG22 ILE B 36 2.359 10.650 1.523 1.00 0.00 H new ATOM 0 HG23 ILE B 36 3.576 11.422 2.567 1.00 0.00 H new ATOM 0 HD11 ILE B 36 3.170 9.664 6.401 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.981 8.880 5.334 1.00 0.00 H new ATOM 0 HD13 ILE B 36 3.592 9.306 4.709 1.00 0.00 H new ATOM 972 N PRO B 37 1.362 13.068 0.889 1.00 0.00 N ATOM 973 CA PRO B 37 1.000 13.152 -0.530 1.00 0.00 C ATOM 974 C PRO B 37 0.808 11.771 -1.154 1.00 0.00 C ATOM 975 O PRO B 37 1.592 10.856 -0.902 1.00 0.00 O ATOM 976 CB PRO B 37 2.196 13.866 -1.168 1.00 0.00 C ATOM 977 CG PRO B 37 2.836 14.615 -0.050 1.00 0.00 C ATOM 978 CD PRO B 37 2.621 13.781 1.180 1.00 0.00 C ATOM 0 HA PRO B 37 0.054 13.672 -0.679 1.00 0.00 H new ATOM 0 HB2 PRO B 37 2.890 13.153 -1.614 1.00 0.00 H new ATOM 0 HB3 PRO B 37 1.876 14.540 -1.963 1.00 0.00 H new ATOM 0 HG2 PRO B 37 3.899 14.766 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO B 37 2.389 15.603 0.065 1.00 0.00 H new ATOM 0 HD2 PRO B 37 3.446 13.089 1.346 1.00 0.00 H new ATOM 0 HD3 PRO B 37 2.537 14.398 2.075 1.00 0.00 H new ATOM 986 N PRO B 38 -0.244 11.598 -1.976 1.00 0.00 N ATOM 987 CA PRO B 38 -0.537 10.317 -2.630 1.00 0.00 C ATOM 988 C PRO B 38 0.611 9.828 -3.509 1.00 0.00 C ATOM 989 O PRO B 38 0.939 8.641 -3.513 1.00 0.00 O ATOM 990 CB PRO B 38 -1.774 10.615 -3.488 1.00 0.00 C ATOM 991 CG PRO B 38 -1.827 12.101 -3.601 1.00 0.00 C ATOM 992 CD PRO B 38 -1.232 12.630 -2.330 1.00 0.00 C ATOM 0 HA PRO B 38 -0.692 9.524 -1.898 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -1.693 10.149 -4.470 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -2.679 10.224 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -1.266 12.447 -4.469 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -2.853 12.447 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -0.764 13.604 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -1.985 12.753 -1.552 1.00 0.00 H new ATOM 1000 N ASP B 39 1.211 10.746 -4.259 1.00 0.00 N ATOM 1001 CA ASP B 39 2.316 10.408 -5.151 1.00 0.00 C ATOM 1002 C ASP B 39 3.487 9.797 -4.386 1.00 0.00 C ATOM 1003 O ASP B 39 4.061 8.794 -4.811 1.00 0.00 O ATOM 1004 CB ASP B 39 2.786 11.652 -5.907 1.00 0.00 C ATOM 1005 CG ASP B 39 1.688 12.262 -6.756 1.00 0.00 C ATOM 1006 OD1 ASP B 39 1.175 11.563 -7.654 1.00 0.00 O ATOM 1007 OD2 ASP B 39 1.343 13.440 -6.523 1.00 0.00 O ATOM 0 H ASP B 39 0.951 11.732 -4.267 1.00 0.00 H new ATOM 0 HA ASP B 39 1.951 9.667 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP B 39 3.144 12.394 -5.193 1.00 0.00 H new ATOM 0 HB3 ASP B 39 3.630 11.389 -6.544 1.00 0.00 H new ATOM 1012 N GLN B 40 3.845 10.413 -3.264 1.00 0.00 N ATOM 1013 CA GLN B 40 4.959 9.934 -2.451 1.00 0.00 C ATOM 1014 C GLN B 40 4.680 8.548 -1.875 1.00 0.00 C ATOM 1015 O GLN B 40 5.464 7.619 -2.070 1.00 0.00 O ATOM 1016 CB GLN B 40 5.248 10.919 -1.317 1.00 0.00 C ATOM 1017 CG GLN B 40 5.684 12.292 -1.802 1.00 0.00 C ATOM 1018 CD GLN B 40 5.956 13.265 -0.667 1.00 0.00 C ATOM 1019 OE1 GLN B 40 5.783 12.810 0.572 1.00 0.00 O flip ATOM 1020 NE2 GLN B 40 6.319 14.418 -0.901 1.00 0.00 N flip ATOM 0 H GLN B 40 3.381 11.244 -2.897 1.00 0.00 H new ATOM 0 HA GLN B 40 5.832 9.860 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN B 40 4.354 11.026 -0.703 1.00 0.00 H new ATOM 0 HB3 GLN B 40 6.026 10.505 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN B 40 6.584 12.188 -2.407 1.00 0.00 H new ATOM 0 HG3 GLN B 40 4.910 12.705 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN B 40 6.440 14.729 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN B 40 6.499 15.062 -0.131 1.00 0.00 H new ATOM 1029 N GLN B 41 3.565 8.412 -1.163 1.00 0.00 N ATOM 1030 CA GLN B 41 3.200 7.135 -0.558 1.00 0.00 C ATOM 1031 C GLN B 41 2.958 6.069 -1.624 1.00 0.00 C ATOM 1032 O GLN B 41 2.190 6.278 -2.564 1.00 0.00 O ATOM 1033 CB GLN B 41 1.956 7.297 0.319 1.00 0.00 C ATOM 1034 CG GLN B 41 0.760 7.879 -0.417 1.00 0.00 C ATOM 1035 CD GLN B 41 -0.469 7.991 0.464 1.00 0.00 C ATOM 1036 OE1 GLN B 41 -0.948 6.996 1.009 1.00 0.00 O ATOM 1037 NE2 GLN B 41 -0.988 9.205 0.608 1.00 0.00 N ATOM 0 H GLN B 41 2.901 9.167 -0.991 1.00 0.00 H new ATOM 0 HA GLN B 41 4.033 6.809 0.065 1.00 0.00 H new ATOM 0 HB2 GLN B 41 1.682 6.325 0.728 1.00 0.00 H new ATOM 0 HB3 GLN B 41 2.200 7.941 1.164 1.00 0.00 H new ATOM 0 HG2 GLN B 41 1.019 8.866 -0.800 1.00 0.00 H new ATOM 0 HG3 GLN B 41 0.529 7.253 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -0.559 10.002 0.138 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -1.816 9.340 1.189 1.00 0.00 H new ATOM 1046 N ARG B 42 3.622 4.924 -1.469 1.00 0.00 N ATOM 1047 CA ARG B 42 3.484 3.822 -2.417 1.00 0.00 C ATOM 1048 C ARG B 42 2.766 2.634 -1.780 1.00 0.00 C ATOM 1049 O ARG B 42 3.176 2.140 -0.730 1.00 0.00 O ATOM 1050 CB ARG B 42 4.861 3.385 -2.922 1.00 0.00 C ATOM 1051 CG ARG B 42 5.618 4.465 -3.685 1.00 0.00 C ATOM 1052 CD ARG B 42 4.996 4.752 -5.047 1.00 0.00 C ATOM 1053 NE ARG B 42 3.661 5.337 -4.942 1.00 0.00 N ATOM 1054 CZ ARG B 42 2.913 5.664 -5.993 1.00 0.00 C ATOM 1055 NH1 ARG B 42 3.373 5.473 -7.223 1.00 0.00 N ATOM 1056 NH2 ARG B 42 1.707 6.185 -5.815 1.00 0.00 N ATOM 0 H ARG B 42 4.260 4.737 -0.696 1.00 0.00 H new ATOM 0 HA ARG B 42 2.886 4.174 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG B 42 5.464 3.067 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.739 2.516 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.634 5.381 -3.095 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.654 4.154 -3.819 1.00 0.00 H new ATOM 0 HD2 ARG B 42 5.643 5.430 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG B 42 4.939 3.826 -5.619 1.00 0.00 H new ATOM 0 HE ARG B 42 3.281 5.504 -4.010 1.00 0.00 H new ATOM 0 HH11 ARG B 42 4.301 5.075 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG B 42 2.798 5.724 -8.027 1.00 0.00 H new ATOM 0 HH21 ARG B 42 1.351 6.336 -4.871 1.00 0.00 H new ATOM 0 HH22 ARG B 42 1.135 6.435 -6.622 1.00 0.00 H new ATOM 1070 N LEU B 43 1.697 2.175 -2.426 1.00 0.00 N ATOM 1071 CA LEU B 43 0.927 1.040 -1.924 1.00 0.00 C ATOM 1072 C LEU B 43 1.458 -0.278 -2.480 1.00 0.00 C ATOM 1073 O LEU B 43 1.718 -0.400 -3.678 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.552 1.195 -2.284 1.00 0.00 C ATOM 1075 CG LEU B 43 -1.254 2.398 -1.650 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -2.700 2.475 -2.114 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -1.184 2.318 -0.132 1.00 0.00 C ATOM 0 H LEU B 43 1.345 2.571 -3.297 1.00 0.00 H new ATOM 0 HA LEU B 43 1.032 1.023 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.639 1.273 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -1.079 0.289 -1.986 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.741 3.305 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -3.184 3.336 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.729 2.579 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -3.225 1.565 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -1.688 3.182 0.302 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.673 1.405 0.207 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.141 2.310 0.184 1.00 0.00 H new ATOM 1089 N ILE B 44 1.604 -1.264 -1.600 1.00 0.00 N ATOM 1090 CA ILE B 44 2.094 -2.580 -1.993 1.00 0.00 C ATOM 1091 C ILE B 44 1.251 -3.681 -1.357 1.00 0.00 C ATOM 1092 O ILE B 44 0.927 -3.618 -0.169 1.00 0.00 O ATOM 1093 CB ILE B 44 3.568 -2.782 -1.587 1.00 0.00 C ATOM 1094 CG1 ILE B 44 4.450 -1.702 -2.218 1.00 0.00 C ATOM 1095 CG2 ILE B 44 4.045 -4.170 -1.994 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.908 -1.799 -1.820 1.00 0.00 C ATOM 0 H ILE B 44 1.389 -1.175 -0.607 1.00 0.00 H new ATOM 0 HA ILE B 44 2.017 -2.637 -3.079 1.00 0.00 H new ATOM 0 HB ILE B 44 3.644 -2.696 -0.503 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.373 -1.771 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.069 -0.721 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE B 44 5.087 -4.297 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE B 44 3.434 -4.925 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE B 44 3.956 -4.283 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.471 -1.002 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.997 -1.700 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.306 -2.765 -2.130 1.00 0.00 H new ATOM 1108 N PHE B 45 0.896 -4.687 -2.154 1.00 0.00 N ATOM 1109 CA PHE B 45 0.087 -5.796 -1.664 1.00 0.00 C ATOM 1110 C PHE B 45 0.156 -6.986 -2.617 1.00 0.00 C ATOM 1111 O PHE B 45 0.137 -6.819 -3.837 1.00 0.00 O ATOM 1112 CB PHE B 45 -1.367 -5.348 -1.487 1.00 0.00 C ATOM 1113 CG PHE B 45 -2.259 -6.392 -0.873 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -1.850 -7.108 0.242 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -3.510 -6.652 -1.409 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -2.672 -8.063 0.809 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -4.336 -7.606 -0.846 1.00 0.00 C ATOM 1118 CZ PHE B 45 -3.916 -8.312 0.265 1.00 0.00 C ATOM 0 H PHE B 45 1.156 -4.755 -3.138 1.00 0.00 H new ATOM 0 HA PHE B 45 0.486 -6.108 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.388 -4.455 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.771 -5.067 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -0.878 -6.917 0.672 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -3.843 -6.103 -2.277 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -2.342 -8.614 1.677 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -5.309 -7.800 -1.274 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.560 -9.058 0.707 1.00 0.00 H new ATOM 1128 N ALA B 46 0.241 -8.187 -2.047 1.00 0.00 N ATOM 1129 CA ALA B 46 0.317 -9.412 -2.835 1.00 0.00 C ATOM 1130 C ALA B 46 1.436 -9.331 -3.866 1.00 0.00 C ATOM 1131 O ALA B 46 1.284 -9.784 -5.002 1.00 0.00 O ATOM 1132 CB ALA B 46 -1.016 -9.685 -3.517 1.00 0.00 C ATOM 0 H ALA B 46 0.259 -8.336 -1.038 1.00 0.00 H new ATOM 0 HA ALA B 46 0.541 -10.237 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -0.945 -10.602 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -1.795 -9.795 -2.762 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -1.265 -8.853 -4.176 1.00 0.00 H new ATOM 1138 N GLY B 47 2.560 -8.746 -3.462 1.00 0.00 N ATOM 1139 CA GLY B 47 3.690 -8.607 -4.361 1.00 0.00 C ATOM 1140 C GLY B 47 3.326 -7.851 -5.621 1.00 0.00 C ATOM 1141 O GLY B 47 3.800 -8.179 -6.709 1.00 0.00 O ATOM 0 H GLY B 47 2.708 -8.366 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY B 47 4.499 -8.087 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY B 47 4.065 -9.595 -4.627 1.00 0.00 H new ATOM 1145 N LYS B 48 2.477 -6.836 -5.475 1.00 0.00 N ATOM 1146 CA LYS B 48 2.043 -6.032 -6.610 1.00 0.00 C ATOM 1147 C LYS B 48 1.801 -4.585 -6.196 1.00 0.00 C ATOM 1148 O LYS B 48 1.125 -4.315 -5.202 1.00 0.00 O ATOM 1149 CB LYS B 48 0.760 -6.611 -7.213 1.00 0.00 C ATOM 1150 CG LYS B 48 0.912 -8.031 -7.734 1.00 0.00 C ATOM 1151 CD LYS B 48 -0.411 -8.590 -8.237 1.00 0.00 C ATOM 1152 CE LYS B 48 -0.952 -7.787 -9.409 1.00 0.00 C ATOM 1153 NZ LYS B 48 -0.033 -7.824 -10.579 1.00 0.00 N ATOM 0 H LYS B 48 2.077 -6.553 -4.581 1.00 0.00 H new ATOM 0 HA LYS B 48 2.837 -6.054 -7.356 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -0.025 -6.594 -6.457 1.00 0.00 H new ATOM 0 HB3 LYS B 48 0.431 -5.968 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS B 48 1.644 -8.046 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS B 48 1.299 -8.670 -6.941 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -0.276 -9.629 -8.539 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.139 -8.586 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -1.926 -8.181 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -1.105 -6.753 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.520 -7.443 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 0.809 -7.249 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 0.255 -8.806 -10.763 1.00 0.00 H new ATOM 1167 N GLN B 49 2.355 -3.659 -6.973 1.00 0.00 N ATOM 1168 CA GLN B 49 2.200 -2.234 -6.705 1.00 0.00 C ATOM 1169 C GLN B 49 0.819 -1.755 -7.138 1.00 0.00 C ATOM 1170 O GLN B 49 0.409 -1.973 -8.279 1.00 0.00 O ATOM 1171 CB GLN B 49 3.279 -1.439 -7.444 1.00 0.00 C ATOM 1172 CG GLN B 49 4.697 -1.773 -7.005 1.00 0.00 C ATOM 1173 CD GLN B 49 5.027 -1.268 -5.610 1.00 0.00 C ATOM 1174 OE1 GLN B 49 4.111 -0.515 -5.008 1.00 0.00 O flip ATOM 1175 NE2 GLN B 49 6.104 -1.545 -5.081 1.00 0.00 N flip ATOM 0 H GLN B 49 2.918 -3.872 -7.797 1.00 0.00 H new ATOM 0 HA GLN B 49 2.307 -2.072 -5.632 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.186 -1.626 -8.514 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.102 -0.374 -7.290 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.835 -2.854 -7.035 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.402 -1.342 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN B 49 6.781 -2.126 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN B 49 6.319 -1.193 -4.148 1.00 0.00 H new ATOM 1184 N LEU B 50 0.104 -1.098 -6.230 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.228 -0.590 -6.540 1.00 0.00 C ATOM 1186 C LEU B 50 -1.151 0.588 -7.505 1.00 0.00 C ATOM 1187 O LEU B 50 -0.371 1.519 -7.304 1.00 0.00 O ATOM 1188 CB LEU B 50 -1.968 -0.172 -5.266 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.498 -1.322 -4.404 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -1.357 -2.168 -3.860 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -3.350 -0.782 -3.266 1.00 0.00 C ATOM 0 H LEU B 50 0.422 -0.906 -5.280 1.00 0.00 H new ATOM 0 HA LEU B 50 -1.784 -1.397 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.296 0.434 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -2.807 0.465 -5.546 1.00 0.00 H new ATOM 0 HG LEU B 50 -3.119 -1.959 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -1.762 -2.977 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -0.788 -2.588 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -0.703 -1.547 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -3.719 -1.611 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -2.748 -0.120 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -4.194 -0.227 -3.675 1.00 0.00 H new ATOM 1203 N GLU B 51 -1.968 0.538 -8.551 1.00 0.00 N ATOM 1204 CA GLU B 51 -2.004 1.598 -9.552 1.00 0.00 C ATOM 1205 C GLU B 51 -2.586 2.879 -8.965 1.00 0.00 C ATOM 1206 O GLU B 51 -2.422 3.159 -7.779 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.822 1.139 -10.762 1.00 0.00 C ATOM 1208 CG GLU B 51 -2.308 -0.149 -11.384 1.00 0.00 C ATOM 1209 CD GLU B 51 -3.116 -0.577 -12.594 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -4.081 0.134 -12.948 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -2.784 -1.625 -13.188 1.00 0.00 O ATOM 0 H GLU B 51 -2.617 -0.229 -8.728 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.985 1.811 -9.873 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.859 0.998 -10.458 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.815 1.926 -11.516 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.266 -0.016 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.331 -0.943 -10.637 1.00 0.00 H new ATOM 1218 N ASP B 52 -3.259 3.654 -9.804 1.00 0.00 N ATOM 1219 CA ASP B 52 -3.864 4.910 -9.376 1.00 0.00 C ATOM 1220 C ASP B 52 -5.093 5.238 -10.220 1.00 0.00 C ATOM 1221 O ASP B 52 -5.269 6.374 -10.664 1.00 0.00 O ATOM 1222 CB ASP B 52 -2.847 6.051 -9.475 1.00 0.00 C ATOM 1223 CG ASP B 52 -1.646 5.842 -8.573 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -1.833 5.774 -7.340 1.00 0.00 O ATOM 1225 OD2 ASP B 52 -0.517 5.744 -9.100 1.00 0.00 O ATOM 0 H ASP B 52 -3.401 3.435 -10.790 1.00 0.00 H new ATOM 0 HA ASP B 52 -4.176 4.798 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -2.510 6.143 -10.507 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -3.334 6.990 -9.214 1.00 0.00 H new ATOM 1230 N GLY B 53 -5.942 4.237 -10.437 1.00 0.00 N ATOM 1231 CA GLY B 53 -7.143 4.442 -11.226 1.00 0.00 C ATOM 1232 C GLY B 53 -7.909 3.156 -11.468 1.00 0.00 C ATOM 1233 O GLY B 53 -8.335 2.885 -12.591 1.00 0.00 O ATOM 0 H GLY B 53 -5.819 3.289 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -7.790 5.156 -10.716 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -6.872 4.885 -12.184 1.00 0.00 H new ATOM 1237 N ARG B 54 -8.083 2.362 -10.415 1.00 0.00 N ATOM 1238 CA ARG B 54 -8.797 1.095 -10.516 1.00 0.00 C ATOM 1239 C ARG B 54 -9.548 0.788 -9.224 1.00 0.00 C ATOM 1240 O ARG B 54 -9.032 1.000 -8.127 1.00 0.00 O ATOM 1241 CB ARG B 54 -7.821 -0.040 -10.827 1.00 0.00 C ATOM 1242 CG ARG B 54 -7.157 0.072 -12.191 1.00 0.00 C ATOM 1243 CD ARG B 54 -8.172 -0.041 -13.320 1.00 0.00 C ATOM 1244 NE ARG B 54 -8.871 -1.323 -13.305 1.00 0.00 N ATOM 1245 CZ ARG B 54 -8.275 -2.497 -13.503 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -6.974 -2.553 -13.760 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -8.983 -3.617 -13.452 1.00 0.00 N ATOM 0 H ARG B 54 -7.738 2.576 -9.479 1.00 0.00 H new ATOM 0 HA ARG B 54 -9.520 1.180 -11.327 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -7.048 -0.062 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.354 -0.989 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -6.635 1.026 -12.265 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -6.406 -0.711 -12.296 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -8.898 0.768 -13.237 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -7.665 0.083 -14.277 1.00 0.00 H new ATOM 0 HE ARG B 54 -9.876 -1.319 -13.132 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -6.426 -1.694 -13.807 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -6.522 -3.455 -13.911 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -9.984 -3.579 -13.261 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -8.526 -4.516 -13.604 1.00 0.00 H new ATOM 1261 N THR B 55 -10.772 0.289 -9.365 1.00 0.00 N ATOM 1262 CA THR B 55 -11.604 -0.048 -8.214 1.00 0.00 C ATOM 1263 C THR B 55 -10.962 -1.140 -7.362 1.00 0.00 C ATOM 1264 O THR B 55 -10.417 -2.112 -7.888 1.00 0.00 O ATOM 1265 CB THR B 55 -13.004 -0.511 -8.654 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.898 -1.673 -9.486 1.00 0.00 O ATOM 1267 CG2 THR B 55 -13.725 0.595 -9.410 1.00 0.00 C ATOM 0 H THR B 55 -11.211 0.108 -10.268 1.00 0.00 H new ATOM 0 HA THR B 55 -11.697 0.859 -7.617 1.00 0.00 H new ATOM 0 HB THR B 55 -13.579 -0.756 -7.761 1.00 0.00 H new ATOM 0 HG1 THR B 55 -13.346 -2.429 -9.051 1.00 0.00 H new ATOM 0 HG21 THR B 55 -14.713 0.246 -9.711 1.00 0.00 H new ATOM 0 HG22 THR B 55 -13.830 1.468 -8.765 1.00 0.00 H new ATOM 0 HG23 THR B 55 -13.150 0.865 -10.296 1.00 0.00 H new ATOM 1275 N LEU B 56 -11.032 -0.971 -6.043 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.461 -1.938 -5.109 1.00 0.00 C ATOM 1277 C LEU B 56 -11.110 -3.308 -5.268 1.00 0.00 C ATOM 1278 O LEU B 56 -10.463 -4.338 -5.072 1.00 0.00 O ATOM 1279 CB LEU B 56 -10.628 -1.455 -3.666 1.00 0.00 C ATOM 1280 CG LEU B 56 -9.935 -0.132 -3.333 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -10.170 0.235 -1.876 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.445 -0.218 -3.628 1.00 0.00 C ATOM 0 H LEU B 56 -11.480 -0.171 -5.596 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.399 -2.028 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -11.693 -1.351 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -10.245 -2.225 -2.996 1.00 0.00 H new ATOM 0 HG LEU B 56 -10.363 0.649 -3.961 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -9.671 1.178 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.240 0.339 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -9.768 -0.549 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -7.970 0.733 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.000 -1.010 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.295 -0.438 -4.685 1.00 0.00 H new ATOM 1294 N SER B 57 -12.395 -3.312 -5.613 1.00 0.00 N ATOM 1295 CA SER B 57 -13.139 -4.554 -5.789 1.00 0.00 C ATOM 1296 C SER B 57 -12.402 -5.506 -6.724 1.00 0.00 C ATOM 1297 O SER B 57 -12.430 -6.720 -6.533 1.00 0.00 O ATOM 1298 CB SER B 57 -14.536 -4.263 -6.339 1.00 0.00 C ATOM 1299 OG SER B 57 -14.464 -3.613 -7.596 1.00 0.00 O ATOM 0 H SER B 57 -12.943 -2.467 -5.776 1.00 0.00 H new ATOM 0 HA SER B 57 -13.231 -5.032 -4.814 1.00 0.00 H new ATOM 0 HB2 SER B 57 -15.092 -5.195 -6.439 1.00 0.00 H new ATOM 0 HB3 SER B 57 -15.085 -3.639 -5.634 1.00 0.00 H new ATOM 0 HG SER B 57 -15.370 -3.439 -7.927 1.00 0.00 H new ATOM 1305 N ASP B 58 -11.746 -4.947 -7.734 1.00 0.00 N ATOM 1306 CA ASP B 58 -10.999 -5.746 -8.700 1.00 0.00 C ATOM 1307 C ASP B 58 -9.771 -6.387 -8.053 1.00 0.00 C ATOM 1308 O ASP B 58 -9.466 -7.554 -8.302 1.00 0.00 O ATOM 1309 CB ASP B 58 -10.572 -4.879 -9.886 1.00 0.00 C ATOM 1310 CG ASP B 58 -11.757 -4.308 -10.644 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -12.909 -4.581 -10.244 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -11.532 -3.587 -11.639 1.00 0.00 O ATOM 0 H ASP B 58 -11.716 -3.942 -7.906 1.00 0.00 H new ATOM 0 HA ASP B 58 -11.653 -6.543 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -9.946 -4.062 -9.528 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -9.962 -5.474 -10.566 1.00 0.00 H new ATOM 1317 N TYR B 59 -9.069 -5.614 -7.229 1.00 0.00 N ATOM 1318 CA TYR B 59 -7.869 -6.100 -6.549 1.00 0.00 C ATOM 1319 C TYR B 59 -8.185 -7.284 -5.639 1.00 0.00 C ATOM 1320 O TYR B 59 -7.320 -8.122 -5.379 1.00 0.00 O ATOM 1321 CB TYR B 59 -7.212 -4.978 -5.736 1.00 0.00 C ATOM 1322 CG TYR B 59 -6.627 -3.865 -6.580 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -7.390 -3.213 -7.541 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -5.306 -3.468 -6.412 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -6.854 -2.198 -8.310 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -4.763 -2.454 -7.178 1.00 0.00 C ATOM 1327 CZ TYR B 59 -5.541 -1.822 -8.126 1.00 0.00 C ATOM 1328 OH TYR B 59 -5.003 -0.813 -8.892 1.00 0.00 O ATOM 0 H TYR B 59 -9.310 -4.646 -7.015 1.00 0.00 H new ATOM 0 HA TYR B 59 -7.173 -6.435 -7.318 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -7.952 -4.554 -5.057 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -6.422 -5.406 -5.119 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -8.419 -3.505 -7.689 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -4.694 -3.960 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -7.461 -1.701 -9.052 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -3.734 -2.158 -7.035 1.00 0.00 H new ATOM 0 HH TYR B 59 -4.348 -1.190 -9.516 1.00 0.00 H new ATOM 1338 N ASN B 60 -9.423 -7.341 -5.151 1.00 0.00 N ATOM 1339 CA ASN B 60 -9.856 -8.417 -4.260 1.00 0.00 C ATOM 1340 C ASN B 60 -9.123 -8.342 -2.923 1.00 0.00 C ATOM 1341 O ASN B 60 -8.665 -9.357 -2.399 1.00 0.00 O ATOM 1342 CB ASN B 60 -9.617 -9.788 -4.907 1.00 0.00 C ATOM 1343 CG ASN B 60 -10.403 -9.992 -6.191 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -11.176 -8.988 -6.591 1.00 0.00 O flip ATOM 1345 ND2 ASN B 60 -10.316 -11.046 -6.820 1.00 0.00 N flip ATOM 0 H ASN B 60 -10.146 -6.652 -5.358 1.00 0.00 H new ATOM 0 HA ASN B 60 -10.924 -8.293 -4.082 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -8.554 -9.902 -5.118 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -9.886 -10.569 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -9.711 -11.794 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -10.848 -11.172 -7.681 1.00 0.00 H new ATOM 1352 N ILE B 61 -9.012 -7.134 -2.380 1.00 0.00 N ATOM 1353 CA ILE B 61 -8.329 -6.927 -1.106 1.00 0.00 C ATOM 1354 C ILE B 61 -9.163 -7.440 0.068 1.00 0.00 C ATOM 1355 O ILE B 61 -10.347 -7.125 0.185 1.00 0.00 O ATOM 1356 CB ILE B 61 -8.009 -5.435 -0.882 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -7.174 -4.891 -2.045 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -7.276 -5.244 0.440 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -6.862 -3.413 -1.934 1.00 0.00 C ATOM 0 H ILE B 61 -9.386 -6.283 -2.801 1.00 0.00 H new ATOM 0 HA ILE B 61 -7.399 -7.493 -1.153 1.00 0.00 H new ATOM 0 HB ILE B 61 -8.945 -4.878 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -6.238 -5.447 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -7.707 -5.071 -2.978 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -7.057 -4.186 0.585 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -7.902 -5.600 1.258 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -6.344 -5.809 0.424 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.268 -3.101 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -7.792 -2.846 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -6.301 -3.227 -1.018 1.00 0.00 H new ATOM 1371 N GLN B 62 -8.530 -8.222 0.942 1.00 0.00 N ATOM 1372 CA GLN B 62 -9.205 -8.768 2.116 1.00 0.00 C ATOM 1373 C GLN B 62 -9.429 -7.677 3.159 1.00 0.00 C ATOM 1374 O GLN B 62 -8.588 -6.797 3.333 1.00 0.00 O ATOM 1375 CB GLN B 62 -8.391 -9.910 2.739 1.00 0.00 C ATOM 1376 CG GLN B 62 -8.309 -11.170 1.885 1.00 0.00 C ATOM 1377 CD GLN B 62 -7.393 -11.024 0.684 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -7.661 -10.247 -0.230 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -6.299 -11.777 0.682 1.00 0.00 N ATOM 0 H GLN B 62 -7.550 -8.491 0.858 1.00 0.00 H new ATOM 0 HA GLN B 62 -10.168 -9.161 1.791 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -7.380 -9.553 2.935 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -8.830 -10.168 3.703 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -7.958 -11.997 2.503 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -9.309 -11.432 1.540 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -6.114 -12.409 1.461 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -5.644 -11.723 -0.098 1.00 0.00 H new ATOM 1388 N LYS B 63 -10.562 -7.737 3.853 1.00 0.00 N ATOM 1389 CA LYS B 63 -10.874 -6.747 4.880 1.00 0.00 C ATOM 1390 C LYS B 63 -9.829 -6.782 5.992 1.00 0.00 C ATOM 1391 O LYS B 63 -9.318 -7.846 6.342 1.00 0.00 O ATOM 1392 CB LYS B 63 -12.271 -6.984 5.460 1.00 0.00 C ATOM 1393 CG LYS B 63 -12.416 -8.311 6.185 1.00 0.00 C ATOM 1394 CD LYS B 63 -13.822 -8.495 6.734 1.00 0.00 C ATOM 1395 CE LYS B 63 -13.986 -9.847 7.410 1.00 0.00 C ATOM 1396 NZ LYS B 63 -13.021 -10.029 8.529 1.00 0.00 N ATOM 0 H LYS B 63 -11.275 -8.455 3.725 1.00 0.00 H new ATOM 0 HA LYS B 63 -10.858 -5.761 4.415 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -12.510 -6.175 6.151 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -13.002 -6.940 4.653 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -12.181 -9.127 5.502 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -11.696 -8.361 7.002 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -14.041 -7.701 7.448 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -14.545 -8.403 5.923 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -15.004 -9.942 7.789 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -13.844 -10.640 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -13.282 -10.872 9.079 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -12.062 -10.150 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -13.043 -9.192 9.146 1.00 0.00 H new ATOM 1410 N GLU B 64 -9.513 -5.609 6.533 1.00 0.00 N ATOM 1411 CA GLU B 64 -8.522 -5.489 7.601 1.00 0.00 C ATOM 1412 C GLU B 64 -7.143 -5.922 7.114 1.00 0.00 C ATOM 1413 O GLU B 64 -6.369 -6.522 7.861 1.00 0.00 O ATOM 1414 CB GLU B 64 -8.936 -6.327 8.814 1.00 0.00 C ATOM 1415 CG GLU B 64 -10.293 -5.947 9.382 1.00 0.00 C ATOM 1416 CD GLU B 64 -10.686 -6.802 10.569 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -9.945 -6.798 11.575 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -11.735 -7.475 10.495 1.00 0.00 O ATOM 0 H GLU B 64 -9.931 -4.723 6.248 1.00 0.00 H new ATOM 0 HA GLU B 64 -8.471 -4.441 7.897 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -8.952 -7.379 8.530 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -8.182 -6.219 9.594 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -10.277 -4.899 9.683 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -11.049 -6.043 8.603 1.00 0.00 H new ATOM 1425 N SER B 65 -6.842 -5.610 5.858 1.00 0.00 N ATOM 1426 CA SER B 65 -5.556 -5.961 5.266 1.00 0.00 C ATOM 1427 C SER B 65 -4.527 -4.858 5.493 1.00 0.00 C ATOM 1428 O SER B 65 -4.846 -3.671 5.410 1.00 0.00 O ATOM 1429 CB SER B 65 -5.711 -6.221 3.767 1.00 0.00 C ATOM 1430 OG SER B 65 -4.466 -6.554 3.176 1.00 0.00 O ATOM 0 H SER B 65 -7.473 -5.113 5.229 1.00 0.00 H new ATOM 0 HA SER B 65 -5.203 -6.870 5.753 1.00 0.00 H new ATOM 0 HB2 SER B 65 -6.422 -7.032 3.607 1.00 0.00 H new ATOM 0 HB3 SER B 65 -6.122 -5.336 3.282 1.00 0.00 H new ATOM 0 HG SER B 65 -4.621 -7.047 2.343 1.00 0.00 H new ATOM 1436 N THR B 66 -3.291 -5.259 5.772 1.00 0.00 N ATOM 1437 CA THR B 66 -2.215 -4.312 5.998 1.00 0.00 C ATOM 1438 C THR B 66 -1.486 -3.986 4.698 1.00 0.00 C ATOM 1439 O THR B 66 -0.682 -4.782 4.212 1.00 0.00 O ATOM 1440 CB THR B 66 -1.205 -4.859 7.017 1.00 0.00 C ATOM 1441 OG1 THR B 66 -0.796 -6.179 6.642 1.00 0.00 O ATOM 1442 CG2 THR B 66 -1.804 -4.878 8.415 1.00 0.00 C ATOM 0 H THR B 66 -3.013 -6.238 5.846 1.00 0.00 H new ATOM 0 HA THR B 66 -2.666 -3.401 6.392 1.00 0.00 H new ATOM 0 HB THR B 66 -0.335 -4.202 7.024 1.00 0.00 H new ATOM 0 HG1 THR B 66 -0.621 -6.206 5.678 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.070 -5.269 9.120 1.00 0.00 H new ATOM 0 HG22 THR B 66 -2.082 -3.865 8.706 1.00 0.00 H new ATOM 0 HG23 THR B 66 -2.690 -5.514 8.423 1.00 0.00 H new ATOM 1450 N LEU B 67 -1.765 -2.811 4.144 1.00 0.00 N ATOM 1451 CA LEU B 67 -1.128 -2.382 2.904 1.00 0.00 C ATOM 1452 C LEU B 67 0.244 -1.783 3.191 1.00 0.00 C ATOM 1453 O LEU B 67 0.368 -0.861 3.997 1.00 0.00 O ATOM 1454 CB LEU B 67 -2.005 -1.354 2.183 1.00 0.00 C ATOM 1455 CG LEU B 67 -3.426 -1.821 1.857 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -4.208 -0.709 1.178 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -3.397 -3.064 0.980 1.00 0.00 C ATOM 0 H LEU B 67 -2.427 -2.140 4.533 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.004 -3.254 2.261 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.067 -0.458 2.800 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.512 -1.068 1.254 1.00 0.00 H new ATOM 0 HG LEU B 67 -3.925 -2.075 2.792 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -5.216 -1.058 0.953 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -4.262 0.155 1.841 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.707 -0.425 0.252 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -4.417 -3.378 0.761 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.878 -2.840 0.048 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.875 -3.866 1.502 1.00 0.00 H new ATOM 1469 N HIS B 68 1.272 -2.303 2.528 1.00 0.00 N ATOM 1470 CA HIS B 68 2.628 -1.803 2.723 1.00 0.00 C ATOM 1471 C HIS B 68 2.800 -0.441 2.061 1.00 0.00 C ATOM 1472 O HIS B 68 2.499 -0.272 0.880 1.00 0.00 O ATOM 1473 CB HIS B 68 3.650 -2.793 2.165 1.00 0.00 C ATOM 1474 CG HIS B 68 3.665 -4.103 2.888 1.00 0.00 C ATOM 1475 ND1 HIS B 68 3.953 -4.216 4.232 1.00 0.00 N ATOM 1476 CD2 HIS B 68 3.425 -5.361 2.450 1.00 0.00 C ATOM 1477 CE1 HIS B 68 3.890 -5.486 4.588 1.00 0.00 C ATOM 1478 NE2 HIS B 68 3.570 -6.202 3.526 1.00 0.00 N ATOM 0 H HIS B 68 1.193 -3.066 1.855 1.00 0.00 H new ATOM 0 HA HIS B 68 2.798 -1.692 3.794 1.00 0.00 H new ATOM 0 HB2 HIS B 68 3.435 -2.971 1.111 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.643 -2.347 2.217 1.00 0.00 H new ATOM 0 HD2 HIS B 68 3.167 -5.650 1.442 1.00 0.00 H new ATOM 0 HE1 HIS B 68 4.070 -5.873 5.580 1.00 0.00 H new ATOM 0 HE2 HIS B 68 3.450 -7.215 3.508 1.00 0.00 H new ATOM 1487 N LEU B 69 3.277 0.531 2.832 1.00 0.00 N ATOM 1488 CA LEU B 69 3.477 1.880 2.317 1.00 0.00 C ATOM 1489 C LEU B 69 4.961 2.242 2.306 1.00 0.00 C ATOM 1490 O LEU B 69 5.632 2.176 3.335 1.00 0.00 O ATOM 1491 CB LEU B 69 2.683 2.881 3.168 1.00 0.00 C ATOM 1492 CG LEU B 69 2.573 4.303 2.605 1.00 0.00 C ATOM 1493 CD1 LEU B 69 1.516 5.089 3.364 1.00 0.00 C ATOM 1494 CD2 LEU B 69 3.911 5.025 2.678 1.00 0.00 C ATOM 0 H LEU B 69 3.531 0.410 3.812 1.00 0.00 H new ATOM 0 HA LEU B 69 3.115 1.921 1.290 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.676 2.489 3.310 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.145 2.936 4.154 1.00 0.00 H new ATOM 0 HG LEU B 69 2.280 4.230 1.558 1.00 0.00 H new ATOM 0 HD11 LEU B 69 1.448 6.097 2.954 1.00 0.00 H new ATOM 0 HD12 LEU B 69 0.551 4.591 3.265 1.00 0.00 H new ATOM 0 HD13 LEU B 69 1.790 5.143 4.418 1.00 0.00 H new ATOM 0 HD21 LEU B 69 3.804 6.031 2.272 1.00 0.00 H new ATOM 0 HD22 LEU B 69 4.236 5.085 3.717 1.00 0.00 H new ATOM 0 HD23 LEU B 69 4.653 4.476 2.097 1.00 0.00 H new ATOM 1506 N VAL B 70 5.460 2.639 1.138 1.00 0.00 N ATOM 1507 CA VAL B 70 6.860 3.026 0.995 1.00 0.00 C ATOM 1508 C VAL B 70 6.966 4.452 0.463 1.00 0.00 C ATOM 1509 O VAL B 70 6.348 4.791 -0.548 1.00 0.00 O ATOM 1510 CB VAL B 70 7.619 2.087 0.032 1.00 0.00 C ATOM 1511 CG1 VAL B 70 9.121 2.322 0.119 1.00 0.00 C ATOM 1512 CG2 VAL B 70 7.283 0.629 0.312 1.00 0.00 C ATOM 0 H VAL B 70 4.916 2.701 0.278 1.00 0.00 H new ATOM 0 HA VAL B 70 7.311 2.956 1.985 1.00 0.00 H new ATOM 0 HB VAL B 70 7.297 2.317 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.635 1.650 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.344 3.355 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.461 2.130 1.137 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.831 -0.010 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.565 0.381 1.335 1.00 0.00 H new ATOM 0 HG23 VAL B 70 6.212 0.471 0.182 1.00 0.00 H new ATOM 1522 N LEU B 71 7.748 5.284 1.144 1.00 0.00 N ATOM 1523 CA LEU B 71 7.925 6.669 0.725 1.00 0.00 C ATOM 1524 C LEU B 71 8.781 6.747 -0.534 1.00 0.00 C ATOM 1525 O LEU B 71 9.893 6.221 -0.575 1.00 0.00 O ATOM 1526 CB LEU B 71 8.560 7.500 1.847 1.00 0.00 C ATOM 1527 CG LEU B 71 7.663 7.763 3.064 1.00 0.00 C ATOM 1528 CD1 LEU B 71 6.372 8.449 2.640 1.00 0.00 C ATOM 1529 CD2 LEU B 71 7.364 6.470 3.809 1.00 0.00 C ATOM 0 H LEU B 71 8.266 5.025 1.983 1.00 0.00 H new ATOM 0 HA LEU B 71 6.941 7.081 0.502 1.00 0.00 H new ATOM 0 HB2 LEU B 71 9.462 6.991 2.186 1.00 0.00 H new ATOM 0 HB3 LEU B 71 8.871 8.459 1.433 1.00 0.00 H new ATOM 0 HG LEU B 71 8.199 8.427 3.742 1.00 0.00 H new ATOM 0 HD11 LEU B 71 5.750 8.627 3.517 1.00 0.00 H new ATOM 0 HD12 LEU B 71 6.606 9.400 2.162 1.00 0.00 H new ATOM 0 HD13 LEU B 71 5.835 7.812 1.937 1.00 0.00 H new ATOM 0 HD21 LEU B 71 6.727 6.684 4.667 1.00 0.00 H new ATOM 0 HD22 LEU B 71 6.854 5.775 3.142 1.00 0.00 H new ATOM 0 HD23 LEU B 71 8.297 6.024 4.152 1.00 0.00 H new ATOM 1541 N ARG B 72 8.250 7.400 -1.562 1.00 0.00 N ATOM 1542 CA ARG B 72 8.957 7.545 -2.829 1.00 0.00 C ATOM 1543 C ARG B 72 9.732 8.859 -2.880 1.00 0.00 C ATOM 1544 O ARG B 72 9.223 9.907 -2.481 1.00 0.00 O ATOM 1545 CB ARG B 72 7.964 7.472 -3.992 1.00 0.00 C ATOM 1546 CG ARG B 72 8.613 7.547 -5.364 1.00 0.00 C ATOM 1547 CD ARG B 72 7.580 7.414 -6.472 1.00 0.00 C ATOM 1548 NE ARG B 72 8.187 7.479 -7.799 1.00 0.00 N ATOM 1549 CZ ARG B 72 7.503 7.344 -8.932 1.00 0.00 C ATOM 1550 NH1 ARG B 72 6.194 7.129 -8.899 1.00 0.00 N ATOM 1551 NH2 ARG B 72 8.128 7.422 -10.099 1.00 0.00 N ATOM 0 H ARG B 72 7.329 7.839 -1.542 1.00 0.00 H new ATOM 0 HA ARG B 72 9.673 6.728 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG B 72 7.401 6.541 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG B 72 7.247 8.287 -3.896 1.00 0.00 H new ATOM 0 HG2 ARG B 72 9.141 8.495 -5.468 1.00 0.00 H new ATOM 0 HG3 ARG B 72 9.357 6.756 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG B 72 7.051 6.468 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG B 72 6.839 8.207 -6.373 1.00 0.00 H new ATOM 0 HE ARG B 72 9.193 7.637 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG B 72 5.710 7.067 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG B 72 5.672 7.026 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG B 72 9.134 7.586 -10.129 1.00 0.00 H new ATOM 0 HH22 ARG B 72 7.602 7.318 -10.967 1.00 0.00 H new ATOM 1565 N LEU B 73 10.965 8.795 -3.375 1.00 0.00 N ATOM 1566 CA LEU B 73 11.810 9.980 -3.482 1.00 0.00 C ATOM 1567 C LEU B 73 11.158 11.033 -4.373 1.00 0.00 C ATOM 1568 O LEU B 73 10.609 10.710 -5.427 1.00 0.00 O ATOM 1569 CB LEU B 73 13.188 9.606 -4.036 1.00 0.00 C ATOM 1570 CG LEU B 73 14.029 8.697 -3.135 1.00 0.00 C ATOM 1571 CD1 LEU B 73 15.327 8.313 -3.830 1.00 0.00 C ATOM 1572 CD2 LEU B 73 14.321 9.383 -1.808 1.00 0.00 C ATOM 0 H LEU B 73 11.401 7.935 -3.708 1.00 0.00 H new ATOM 0 HA LEU B 73 11.932 10.399 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU B 73 13.053 9.112 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU B 73 13.747 10.523 -4.224 1.00 0.00 H new ATOM 0 HG LEU B 73 13.460 7.789 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU B 73 15.913 7.667 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU B 73 15.101 7.783 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU B 73 15.898 9.213 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU B 73 14.919 8.722 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU B 73 14.870 10.307 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU B 73 13.383 9.612 -1.302 1.00 0.00 H new ATOM 1584 N ARG B 74 11.223 12.291 -3.937 1.00 0.00 N ATOM 1585 CA ARG B 74 10.639 13.405 -4.682 1.00 0.00 C ATOM 1586 C ARG B 74 9.118 13.294 -4.734 1.00 0.00 C ATOM 1587 O ARG B 74 8.570 12.219 -4.978 1.00 0.00 O ATOM 1588 CB ARG B 74 11.209 13.463 -6.103 1.00 0.00 C ATOM 1589 CG ARG B 74 10.675 14.622 -6.932 1.00 0.00 C ATOM 1590 CD ARG B 74 11.046 15.966 -6.323 1.00 0.00 C ATOM 1591 NE ARG B 74 12.493 16.135 -6.216 1.00 0.00 N ATOM 1592 CZ ARG B 74 13.077 17.226 -5.730 1.00 0.00 C ATOM 1593 NH1 ARG B 74 12.340 18.247 -5.311 1.00 0.00 N ATOM 1594 NH2 ARG B 74 14.399 17.297 -5.664 1.00 0.00 N ATOM 0 H ARG B 74 11.678 12.565 -3.066 1.00 0.00 H new ATOM 0 HA ARG B 74 10.899 14.326 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG B 74 12.295 13.539 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG B 74 10.981 12.528 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG B 74 11.073 14.559 -7.945 1.00 0.00 H new ATOM 0 HG3 ARG B 74 9.591 14.545 -7.010 1.00 0.00 H new ATOM 0 HD2 ARG B 74 10.631 16.768 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG B 74 10.596 16.053 -5.334 1.00 0.00 H new ATOM 0 HE ARG B 74 13.090 15.371 -6.533 1.00 0.00 H new ATOM 0 HH11 ARG B 74 11.323 18.196 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG B 74 12.791 19.083 -4.939 1.00 0.00 H new ATOM 0 HH21 ARG B 74 14.968 16.514 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG B 74 14.847 18.134 -5.291 1.00 0.00 H new ATOM 1608 N GLY B 75 8.441 14.414 -4.502 1.00 0.00 N ATOM 1609 CA GLY B 75 6.990 14.424 -4.526 1.00 0.00 C ATOM 1610 C GLY B 75 6.415 15.809 -4.307 1.00 0.00 C ATOM 1611 O GLY B 75 6.862 16.541 -3.423 1.00 0.00 O ATOM 0 H GLY B 75 8.872 15.316 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY B 75 6.643 14.038 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY B 75 6.613 13.752 -3.756 1.00 0.00 H new ATOM 1615 N GLY B 76 5.420 16.168 -5.113 1.00 0.00 N ATOM 1616 CA GLY B 76 4.798 17.473 -4.990 1.00 0.00 C ATOM 1617 C GLY B 76 5.762 18.606 -5.281 1.00 0.00 C ATOM 1618 O GLY B 76 6.280 19.208 -4.317 1.00 0.00 O ATOM 1619 OXT GLY B 76 6.002 18.890 -6.474 1.00 0.00 O ATOM 0 H GLY B 76 5.034 15.577 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY B 76 3.953 17.535 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY B 76 4.400 17.589 -3.982 1.00 0.00 H new TER 1623 GLY B 76